data_30814 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30814 _Entry.Title ; Solution Structure of the Dysferlin C2A Domain in its Calcium-bound State ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-11-19 _Entry.Accession_date 2020-11-19 _Entry.Last_release_date 2020-11-24 _Entry.Original_release_date 2020-11-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Y. Wang Y. . . . 30814 2 P. Mercier P. . . . 30814 3 L. Santamaria L. . . . 30814 4 G. Shaw G. S. . . 30814 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'MEMBRANE PROTEIN' . 30814 beta-sandwich . 30814 calcium-binding . 30814 'membrane repair' . 30814 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30814 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 442 30814 '15N chemical shifts' 136 30814 '1H chemical shifts' 886 30814 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-01-29 . original BMRB . 30814 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7KRB 'BMRB Entry Tracking System' 30814 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30814 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33449082 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Calcium binds and rigidifies the dysferlin C2A domain in a tightly coupled manner ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full . _Citation.Journal_volume 478 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 197 _Citation.Page_last 215 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Y. Wang Y. . . . 30814 1 2 R. Tadayon R. . . . 30814 1 3 L. Santamaria L. . . . 30814 1 4 P. Mercier P. . . . 30814 1 5 C. Forristal C. J. . . 30814 1 6 G. Shaw G. S. . . 30814 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30814 _Assembly.ID 1 _Assembly.Name 'Isoform 15 of Dysferlin' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 30814 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30814 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSGGGGGMLRVFILYAENVH TPDTDISDAYCSAVFAGVKK RTKVIKNSVNPVWNEGFEWD LKGIPLDQGSELHVVVKDHE TMGRNRFLGEAKVPLREVLA TPSLSASFNAPLLDTKKQPT GASLVLQVSYTPLPGAVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14822.910 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Dystrophy-associated fer-1-like protein' common 30814 1 'Fer-1-like protein 1' common 30814 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -6 GLY . 30814 1 2 -5 SER . 30814 1 3 -4 GLY . 30814 1 4 -3 GLY . 30814 1 5 -2 GLY . 30814 1 6 -1 GLY . 30814 1 7 0 GLY . 30814 1 8 1 MET . 30814 1 9 2 LEU . 30814 1 10 3 ARG . 30814 1 11 4 VAL . 30814 1 12 5 PHE . 30814 1 13 6 ILE . 30814 1 14 7 LEU . 30814 1 15 8 TYR . 30814 1 16 9 ALA . 30814 1 17 10 GLU . 30814 1 18 11 ASN . 30814 1 19 12 VAL . 30814 1 20 13 HIS . 30814 1 21 14 THR . 30814 1 22 15 PRO . 30814 1 23 16 ASP . 30814 1 24 17 THR . 30814 1 25 18 ASP . 30814 1 26 19 ILE . 30814 1 27 20 SER . 30814 1 28 21 ASP . 30814 1 29 22 ALA . 30814 1 30 23 TYR . 30814 1 31 24 CYS . 30814 1 32 25 SER . 30814 1 33 26 ALA . 30814 1 34 27 VAL . 30814 1 35 28 PHE . 30814 1 36 29 ALA . 30814 1 37 30 GLY . 30814 1 38 31 VAL . 30814 1 39 32 LYS . 30814 1 40 33 LYS . 30814 1 41 34 ARG . 30814 1 42 35 THR . 30814 1 43 36 LYS . 30814 1 44 37 VAL . 30814 1 45 38 ILE . 30814 1 46 39 LYS . 30814 1 47 40 ASN . 30814 1 48 41 SER . 30814 1 49 42 VAL . 30814 1 50 43 ASN . 30814 1 51 44 PRO . 30814 1 52 45 VAL . 30814 1 53 46 TRP . 30814 1 54 47 ASN . 30814 1 55 48 GLU . 30814 1 56 49 GLY . 30814 1 57 50 PHE . 30814 1 58 51 GLU . 30814 1 59 52 TRP . 30814 1 60 53 ASP . 30814 1 61 54 LEU . 30814 1 62 55 LYS . 30814 1 63 56 GLY . 30814 1 64 57 ILE . 30814 1 65 58 PRO . 30814 1 66 59 LEU . 30814 1 67 60 ASP . 30814 1 68 61 GLN . 30814 1 69 62 GLY . 30814 1 70 63 SER . 30814 1 71 64 GLU . 30814 1 72 65 LEU . 30814 1 73 66 HIS . 30814 1 74 67 VAL . 30814 1 75 68 VAL . 30814 1 76 69 VAL . 30814 1 77 70 LYS . 30814 1 78 71 ASP . 30814 1 79 72 HIS . 30814 1 80 73 GLU . 30814 1 81 74 THR . 30814 1 82 75 MET . 30814 1 83 76 GLY . 30814 1 84 77 ARG . 30814 1 85 78 ASN . 30814 1 86 79 ARG . 30814 1 87 80 PHE . 30814 1 88 81 LEU . 30814 1 89 82 GLY . 30814 1 90 83 GLU . 30814 1 91 84 ALA . 30814 1 92 85 LYS . 30814 1 93 86 VAL . 30814 1 94 87 PRO . 30814 1 95 88 LEU . 30814 1 96 89 ARG . 30814 1 97 90 GLU . 30814 1 98 91 VAL . 30814 1 99 92 LEU . 30814 1 100 93 ALA . 30814 1 101 94 THR . 30814 1 102 95 PRO . 30814 1 103 96 SER . 30814 1 104 97 LEU . 30814 1 105 98 SER . 30814 1 106 99 ALA . 30814 1 107 100 SER . 30814 1 108 101 PHE . 30814 1 109 102 ASN . 30814 1 110 103 ALA . 30814 1 111 104 PRO . 30814 1 112 105 LEU . 30814 1 113 106 LEU . 30814 1 114 107 ASP . 30814 1 115 108 THR . 30814 1 116 109 LYS . 30814 1 117 110 LYS . 30814 1 118 111 GLN . 30814 1 119 112 PRO . 30814 1 120 113 THR . 30814 1 121 114 GLY . 30814 1 122 115 ALA . 30814 1 123 116 SER . 30814 1 124 117 LEU . 30814 1 125 118 VAL . 30814 1 126 119 LEU . 30814 1 127 120 GLN . 30814 1 128 121 VAL . 30814 1 129 122 SER . 30814 1 130 123 TYR . 30814 1 131 124 THR . 30814 1 132 125 PRO . 30814 1 133 126 LEU . 30814 1 134 127 PRO . 30814 1 135 128 GLY . 30814 1 136 129 ALA . 30814 1 137 130 VAL . 30814 1 138 131 LEU . 30814 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30814 1 . SER 2 2 30814 1 . GLY 3 3 30814 1 . GLY 4 4 30814 1 . GLY 5 5 30814 1 . GLY 6 6 30814 1 . GLY 7 7 30814 1 . MET 8 8 30814 1 . LEU 9 9 30814 1 . ARG 10 10 30814 1 . VAL 11 11 30814 1 . PHE 12 12 30814 1 . ILE 13 13 30814 1 . LEU 14 14 30814 1 . TYR 15 15 30814 1 . ALA 16 16 30814 1 . GLU 17 17 30814 1 . ASN 18 18 30814 1 . VAL 19 19 30814 1 . HIS 20 20 30814 1 . THR 21 21 30814 1 . PRO 22 22 30814 1 . ASP 23 23 30814 1 . THR 24 24 30814 1 . ASP 25 25 30814 1 . ILE 26 26 30814 1 . SER 27 27 30814 1 . ASP 28 28 30814 1 . ALA 29 29 30814 1 . TYR 30 30 30814 1 . CYS 31 31 30814 1 . SER 32 32 30814 1 . ALA 33 33 30814 1 . VAL 34 34 30814 1 . PHE 35 35 30814 1 . ALA 36 36 30814 1 . GLY 37 37 30814 1 . VAL 38 38 30814 1 . LYS 39 39 30814 1 . LYS 40 40 30814 1 . ARG 41 41 30814 1 . THR 42 42 30814 1 . LYS 43 43 30814 1 . VAL 44 44 30814 1 . ILE 45 45 30814 1 . LYS 46 46 30814 1 . ASN 47 47 30814 1 . SER 48 48 30814 1 . VAL 49 49 30814 1 . ASN 50 50 30814 1 . PRO 51 51 30814 1 . VAL 52 52 30814 1 . TRP 53 53 30814 1 . ASN 54 54 30814 1 . GLU 55 55 30814 1 . GLY 56 56 30814 1 . PHE 57 57 30814 1 . GLU 58 58 30814 1 . TRP 59 59 30814 1 . ASP 60 60 30814 1 . LEU 61 61 30814 1 . LYS 62 62 30814 1 . GLY 63 63 30814 1 . ILE 64 64 30814 1 . PRO 65 65 30814 1 . LEU 66 66 30814 1 . ASP 67 67 30814 1 . GLN 68 68 30814 1 . GLY 69 69 30814 1 . SER 70 70 30814 1 . GLU 71 71 30814 1 . LEU 72 72 30814 1 . HIS 73 73 30814 1 . VAL 74 74 30814 1 . VAL 75 75 30814 1 . VAL 76 76 30814 1 . LYS 77 77 30814 1 . ASP 78 78 30814 1 . HIS 79 79 30814 1 . GLU 80 80 30814 1 . THR 81 81 30814 1 . MET 82 82 30814 1 . GLY 83 83 30814 1 . ARG 84 84 30814 1 . ASN 85 85 30814 1 . ARG 86 86 30814 1 . PHE 87 87 30814 1 . LEU 88 88 30814 1 . GLY 89 89 30814 1 . GLU 90 90 30814 1 . ALA 91 91 30814 1 . LYS 92 92 30814 1 . VAL 93 93 30814 1 . PRO 94 94 30814 1 . LEU 95 95 30814 1 . ARG 96 96 30814 1 . GLU 97 97 30814 1 . VAL 98 98 30814 1 . LEU 99 99 30814 1 . ALA 100 100 30814 1 . THR 101 101 30814 1 . PRO 102 102 30814 1 . SER 103 103 30814 1 . LEU 104 104 30814 1 . SER 105 105 30814 1 . ALA 106 106 30814 1 . SER 107 107 30814 1 . PHE 108 108 30814 1 . ASN 109 109 30814 1 . ALA 110 110 30814 1 . PRO 111 111 30814 1 . LEU 112 112 30814 1 . LEU 113 113 30814 1 . ASP 114 114 30814 1 . THR 115 115 30814 1 . LYS 116 116 30814 1 . LYS 117 117 30814 1 . GLN 118 118 30814 1 . PRO 119 119 30814 1 . THR 120 120 30814 1 . GLY 121 121 30814 1 . ALA 122 122 30814 1 . SER 123 123 30814 1 . LEU 124 124 30814 1 . VAL 125 125 30814 1 . LEU 126 126 30814 1 . GLN 127 127 30814 1 . VAL 128 128 30814 1 . SER 129 129 30814 1 . TYR 130 130 30814 1 . THR 131 131 30814 1 . PRO 132 132 30814 1 . LEU 133 133 30814 1 . PRO 134 134 30814 1 . GLY 135 135 30814 1 . ALA 136 136 30814 1 . VAL 137 137 30814 1 . LEU 138 138 30814 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30814 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'DYSF, FER1L1' . 30814 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30814 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21' . . 511693 . . . . . Plasmid . . . . . . 30814 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30814 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM DSS, 25 mM MES, 150 mM NaCl, 10 mM CaCl2, 1 mM DTT, 0.5 mM [U-13C; U-15N] Protein, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 30814 1 2 MES 'natural abundance' . . . . . . 25 . . mM . . . . 30814 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 30814 1 4 CaCl2 'natural abundance' . . . . . . 10 . . mM . . . . 30814 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 30814 1 6 Protein '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30814 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30814 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM DSS, 25 mM MES, 150 mM NaCl, 10 mM CaCl2, 1 mM DTT, 0.5 mM [U-13C; U-15N] Protein, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 30814 2 2 MES 'natural abundance' . . . . . . 25 . . mM . . . . 30814 2 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 30814 2 4 CaCl2 'natural abundance' . . . . . . 10 . . mM . . . . 30814 2 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 30814 2 6 Protein '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30814 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30814 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 30814 1 pH 6.5 . pH 30814 1 pressure 1 . atm 30814 1 temperature 298.15 . K 30814 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30814 _Software.ID 1 _Software.Type . _Software.Name VNMR _Software.Version Varian _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 30814 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30814 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30814 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30814 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30814 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30814 _Software.ID 3 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30814 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30814 3 'peak picking' . 30814 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30814 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30814 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30814 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30814 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30814 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30814 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30814 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryo-probe _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30814 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 600 . . . 30814 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30814 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30814 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30814 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30814 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30814 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30814 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30814 1 7 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30814 1 8 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30814 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30814 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30814 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30814 1 12 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30814 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30814 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 30814 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30814 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30814 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30814 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.03 _Assigned_chem_shift_list.Chem_shift_15N_err 0.03 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'uncertainties from the tolerance settings in the software Cyana' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30814 1 2 '2D 1H-13C HSQC' . . . 30814 1 3 '3D HNCO' . . . 30814 1 4 '3D HN(CO)CA' . . . 30814 1 5 '3D CBCA(CO)NH' . . . 30814 1 6 '3D HNCACB' . . . 30814 1 7 '3D C(CO)NH' . . . 30814 1 8 '3D H(CCO)NH' . . . 30814 1 9 '3D HCCH-TOCSY' . . . 30814 1 10 '3D 1H-15N NOESY' . . . 30814 1 11 '3D 1H-13C NOESY' . . . 30814 1 12 '2D 1H-13C HSQC aromatic' . . . 30814 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 SER H H 1 8.4480 0.02 . 1 . . . . A -5 SER H . 30814 1 2 . 1 . 1 2 2 SER HB3 H 1 3.8070 0.02 . 2 . . . . A -5 SER HB3 . 30814 1 3 . 1 . 1 2 2 SER CB C 13 68.1600 0.03 . 1 . . . . A -5 SER CB . 30814 1 4 . 1 . 1 2 2 SER N N 15 110.4700 0.03 . 1 . . . . A -5 SER N . 30814 1 5 . 1 . 1 3 3 GLY H H 1 8.6300 0.02 . 1 . . . . A -4 GLY H . 30814 1 6 . 1 . 1 3 3 GLY N N 15 111.2400 0.03 . 1 . . . . A -4 GLY N . 30814 1 7 . 1 . 1 4 4 GLY CA C 13 45.3646 0.03 . 1 . . 26472 . A -3 GLY CA . 30814 1 8 . 1 . 1 5 5 GLY H H 1 8.3640 0.02 . 1 . . 26408 . A -2 GLY H . 30814 1 9 . 1 . 1 5 5 GLY HA3 H 1 4.0110 0.02 . 2 . . . . A -2 GLY HA3 . 30814 1 10 . 1 . 1 5 5 GLY CA C 13 45.1630 0.03 . 1 . . 26534 . A -2 GLY CA . 30814 1 11 . 1 . 1 5 5 GLY N N 15 108.7190 0.03 . 1 . . 26410 . A -2 GLY N . 30814 1 12 . 1 . 1 6 6 GLY H H 1 8.5320 0.02 . 1 . . 16912 . A -1 GLY H . 30814 1 13 . 1 . 1 6 6 GLY HA2 H 1 4.0060 0.02 . 2 . . . . A -1 GLY HA3 . 30814 1 14 . 1 . 1 6 6 GLY HA3 H 1 4.1200 0.02 . 2 . . . . A -1 GLY HA3 . 30814 1 15 . 1 . 1 6 6 GLY CA C 13 45.3780 0.03 . 1 . . 26490 . A -1 GLY CA . 30814 1 16 . 1 . 1 6 6 GLY N N 15 108.6340 0.03 . 1 . . 16914 . A -1 GLY N . 30814 1 17 . 1 . 1 7 7 GLY H H 1 8.2420 0.02 . 1 . . 17443 . A 0 GLY H . 30814 1 18 . 1 . 1 7 7 GLY HA2 H 1 3.8910 0.02 . 2 . . . . A 0 GLY HA3 . 30814 1 19 . 1 . 1 7 7 GLY HA3 H 1 4.3790 0.02 . 2 . . . . A 0 GLY HA3 . 30814 1 20 . 1 . 1 7 7 GLY CA C 13 44.9160 0.03 . 1 . . 12951 . A 0 GLY CA . 30814 1 21 . 1 . 1 7 7 GLY N N 15 109.9450 0.03 . 1 . . 17445 . A 0 GLY N . 30814 1 22 . 1 . 1 8 8 MET H H 1 8.6250 0.02 . 1 . . 22258 . A 1 MET H . 30814 1 23 . 1 . 1 8 8 MET HA H 1 5.5320 0.02 . 1 . . . . A 1 MET HA . 30814 1 24 . 1 . 1 8 8 MET HB2 H 1 1.9390 0.02 . 2 . . . . A 1 MET HB3 . 30814 1 25 . 1 . 1 8 8 MET HB3 H 1 1.9790 0.02 . 2 . . . . A 1 MET HB3 . 30814 1 26 . 1 . 1 8 8 MET HG2 H 1 2.4840 0.02 . 2 . . . . A 1 MET HG3 . 30814 1 27 . 1 . 1 8 8 MET HG3 H 1 2.4010 0.02 . 2 . . . . A 1 MET HG3 . 30814 1 28 . 1 . 1 8 8 MET HE1 H 1 1.9830 0.02 . 1 . . . . A 1 MET HE1 . 30814 1 29 . 1 . 1 8 8 MET HE2 H 1 1.9830 0.02 . 1 . . . . A 1 MET HE2 . 30814 1 30 . 1 . 1 8 8 MET HE3 H 1 1.9830 0.02 . 1 . . . . A 1 MET HE3 . 30814 1 31 . 1 . 1 8 8 MET CA C 13 54.7570 0.03 . 1 . . 13869 . A 1 MET CA . 30814 1 32 . 1 . 1 8 8 MET CB C 13 36.8480 0.03 . 1 . . 14097 . A 1 MET CB . 30814 1 33 . 1 . 1 8 8 MET CG C 13 31.9110 0.03 . 1 . . . . A 1 MET CG . 30814 1 34 . 1 . 1 8 8 MET CE C 13 17.0490 0.03 . 1 . . . . A 1 MET CE . 30814 1 35 . 1 . 1 8 8 MET N N 15 120.1700 0.03 . 1 . . 22259 . A 1 MET N . 30814 1 36 . 1 . 1 9 9 LEU H H 1 8.9780 0.02 . 1 . . 15194 . A 2 LEU H . 30814 1 37 . 1 . 1 9 9 LEU HA H 1 5.1800 0.02 . 1 . . . . A 2 LEU HA . 30814 1 38 . 1 . 1 9 9 LEU HB2 H 1 1.9780 0.02 . 2 . . . . A 2 LEU HB3 . 30814 1 39 . 1 . 1 9 9 LEU HB3 H 1 1.1140 0.02 . 2 . . . . A 2 LEU HB3 . 30814 1 40 . 1 . 1 9 9 LEU HG H 1 1.2690 0.02 . 1 . . . . A 2 LEU HG . 30814 1 41 . 1 . 1 9 9 LEU HD11 H 1 0.6220 0.02 . 2 . . . . A 2 LEU HD11 . 30814 1 42 . 1 . 1 9 9 LEU HD12 H 1 0.6220 0.02 . 2 . . . . A 2 LEU HD12 . 30814 1 43 . 1 . 1 9 9 LEU HD13 H 1 0.6220 0.02 . 2 . . . . A 2 LEU HD13 . 30814 1 44 . 1 . 1 9 9 LEU HD21 H 1 -0.3550 0.02 . 2 . . . . A 2 LEU HD21 . 30814 1 45 . 1 . 1 9 9 LEU HD22 H 1 -0.3550 0.02 . 2 . . . . A 2 LEU HD22 . 30814 1 46 . 1 . 1 9 9 LEU HD23 H 1 -0.3550 0.02 . 2 . . . . A 2 LEU HD23 . 30814 1 47 . 1 . 1 9 9 LEU CA C 13 53.8020 0.03 . 1 . . 13695 . A 2 LEU CA . 30814 1 48 . 1 . 1 9 9 LEU CB C 13 46.0920 0.03 . 1 . . 22363 . A 2 LEU CB . 30814 1 49 . 1 . 1 9 9 LEU CG C 13 24.4600 0.03 . 1 . . . . A 2 LEU CG . 30814 1 50 . 1 . 1 9 9 LEU CD1 C 13 24.1960 0.03 . 2 . . . . A 2 LEU CD1 . 30814 1 51 . 1 . 1 9 9 LEU CD2 C 13 25.0020 0.03 . 2 . . . . A 2 LEU CD2 . 30814 1 52 . 1 . 1 9 9 LEU N N 15 127.1090 0.03 . 1 . . 15195 . A 2 LEU N . 30814 1 53 . 1 . 1 10 10 ARG H H 1 9.3750 0.02 . 1 . . 12647 . A 3 ARG H . 30814 1 54 . 1 . 1 10 10 ARG HA H 1 5.5240 0.02 . 1 . . . . A 3 ARG HA . 30814 1 55 . 1 . 1 10 10 ARG HB2 H 1 1.8100 0.02 . 2 . . . . A 3 ARG HB3 . 30814 1 56 . 1 . 1 10 10 ARG HB3 H 1 1.8660 0.02 . 2 . . . . A 3 ARG HB3 . 30814 1 57 . 1 . 1 10 10 ARG HG2 H 1 1.6520 0.02 . 2 . . . . A 3 ARG HG3 . 30814 1 58 . 1 . 1 10 10 ARG HG3 H 1 1.5320 0.02 . 2 . . . . A 3 ARG HG3 . 30814 1 59 . 1 . 1 10 10 ARG HD3 H 1 3.1670 0.02 . 2 . . . . A 3 ARG HD3 . 30814 1 60 . 1 . 1 10 10 ARG CA C 13 55.2710 0.03 . 1 . . 22360 . A 3 ARG CA . 30814 1 61 . 1 . 1 10 10 ARG CB C 13 32.6760 0.03 . 1 . . 12756 . A 3 ARG CB . 30814 1 62 . 1 . 1 10 10 ARG CG C 13 28.6730 0.03 . 1 . . . . A 3 ARG CG . 30814 1 63 . 1 . 1 10 10 ARG CD C 13 43.5290 0.03 . 1 . . . . A 3 ARG CD . 30814 1 64 . 1 . 1 10 10 ARG N N 15 127.3460 0.03 . 1 . . 12649 . A 3 ARG N . 30814 1 65 . 1 . 1 11 11 VAL H H 1 9.0320 0.02 . 1 . . 12755 . A 4 VAL H . 30814 1 66 . 1 . 1 11 11 VAL HA H 1 5.0410 0.02 . 1 . . . . A 4 VAL HA . 30814 1 67 . 1 . 1 11 11 VAL HB H 1 2.2100 0.02 . 1 . . . . A 4 VAL HB . 30814 1 68 . 1 . 1 11 11 VAL HG11 H 1 0.9270 0.02 . 2 . . . . A 4 VAL HG11 . 30814 1 69 . 1 . 1 11 11 VAL HG12 H 1 0.9270 0.02 . 2 . . . . A 4 VAL HG12 . 30814 1 70 . 1 . 1 11 11 VAL HG13 H 1 0.9270 0.02 . 2 . . . . A 4 VAL HG13 . 30814 1 71 . 1 . 1 11 11 VAL HG21 H 1 1.0010 0.02 . 2 . . . . A 4 VAL HG21 . 30814 1 72 . 1 . 1 11 11 VAL HG22 H 1 1.0010 0.02 . 2 . . . . A 4 VAL HG22 . 30814 1 73 . 1 . 1 11 11 VAL HG23 H 1 1.0010 0.02 . 2 . . . . A 4 VAL HG23 . 30814 1 74 . 1 . 1 11 11 VAL CA C 13 60.4040 0.03 . 1 . . 12609 . A 4 VAL CA . 30814 1 75 . 1 . 1 11 11 VAL CB C 13 36.2200 0.03 . 1 . . 21943 . A 4 VAL CB . 30814 1 76 . 1 . 1 11 11 VAL CG1 C 13 21.8640 0.03 . 2 . . . . A 4 VAL CG1 . 30814 1 77 . 1 . 1 11 11 VAL CG2 C 13 23.1890 0.03 . 2 . . . . A 4 VAL CG2 . 30814 1 78 . 1 . 1 11 11 VAL N N 15 123.6760 0.03 . 1 . . 12757 . A 4 VAL N . 30814 1 79 . 1 . 1 12 12 PHE H H 1 9.7210 0.02 . 1 . . 15134 . A 5 PHE H . 30814 1 80 . 1 . 1 12 12 PHE HA H 1 5.0980 0.02 . 1 . . . . A 5 PHE HA . 30814 1 81 . 1 . 1 12 12 PHE HB2 H 1 3.0770 0.02 . 2 . . . . A 5 PHE HB3 . 30814 1 82 . 1 . 1 12 12 PHE HB3 H 1 2.8880 0.02 . 2 . . . . A 5 PHE HB3 . 30814 1 83 . 1 . 1 12 12 PHE HD1 H 1 7.0120 0.02 . 3 . . . . A 5 PHE HD1 . 30814 1 84 . 1 . 1 12 12 PHE HE1 H 1 7.1710 0.02 . 3 . . . . A 5 PHE HE1 . 30814 1 85 . 1 . 1 12 12 PHE CA C 13 56.8460 0.03 . 1 . . 13803 . A 5 PHE CA . 30814 1 86 . 1 . 1 12 12 PHE CB C 13 41.5350 0.03 . 1 . . 21941 . A 5 PHE CB . 30814 1 87 . 1 . 1 12 12 PHE CD1 C 13 131.3400 0.03 . 3 . . . . A 5 PHE CD1 . 30814 1 88 . 1 . 1 12 12 PHE CE1 C 13 131.2400 0.03 . 3 . . . . A 5 PHE CE1 . 30814 1 89 . 1 . 1 12 12 PHE N N 15 129.6030 0.03 . 1 . . 15135 . A 5 PHE N . 30814 1 90 . 1 . 1 13 13 ILE H H 1 9.0920 0.02 . 1 . . 12734 . A 6 ILE H . 30814 1 91 . 1 . 1 13 13 ILE HA H 1 3.9870 0.02 . 1 . . . . A 6 ILE HA . 30814 1 92 . 1 . 1 13 13 ILE HB H 1 1.8900 0.02 . 1 . . . . A 6 ILE HB . 30814 1 93 . 1 . 1 13 13 ILE HG12 H 1 1.3100 0.02 . 2 . . . . A 6 ILE HG13 . 30814 1 94 . 1 . 1 13 13 ILE HG13 H 1 1.0140 0.02 . 2 . . . . A 6 ILE HG13 . 30814 1 95 . 1 . 1 13 13 ILE HG21 H 1 0.7730 0.02 . 1 . . . . A 6 ILE HG21 . 30814 1 96 . 1 . 1 13 13 ILE HG22 H 1 0.7730 0.02 . 1 . . . . A 6 ILE HG22 . 30814 1 97 . 1 . 1 13 13 ILE HG23 H 1 0.7730 0.02 . 1 . . . . A 6 ILE HG23 . 30814 1 98 . 1 . 1 13 13 ILE HD11 H 1 0.5230 0.02 . 1 . . . . A 6 ILE HD11 . 30814 1 99 . 1 . 1 13 13 ILE HD12 H 1 0.5230 0.02 . 1 . . . . A 6 ILE HD12 . 30814 1 100 . 1 . 1 13 13 ILE HD13 H 1 0.5230 0.02 . 1 . . . . A 6 ILE HD13 . 30814 1 101 . 1 . 1 13 13 ILE CA C 13 60.7590 0.03 . 1 . . 17376 . A 6 ILE CA . 30814 1 102 . 1 . 1 13 13 ILE CB C 13 36.7320 0.03 . 1 . . 21938 . A 6 ILE CB . 30814 1 103 . 1 . 1 13 13 ILE CG1 C 13 26.7980 0.03 . 1 . . . . A 6 ILE CG1 . 30814 1 104 . 1 . 1 13 13 ILE CG2 C 13 19.1880 0.03 . 1 . . . . A 6 ILE CG2 . 30814 1 105 . 1 . 1 13 13 ILE CD1 C 13 11.6350 0.03 . 1 . . . . A 6 ILE CD1 . 30814 1 106 . 1 . 1 13 13 ILE N N 15 127.6930 0.03 . 1 . . 12736 . A 6 ILE N . 30814 1 107 . 1 . 1 14 14 LEU H H 1 8.2620 0.02 . 1 . . 17375 . A 7 LEU H . 30814 1 108 . 1 . 1 14 14 LEU HA H 1 4.7800 0.02 . 1 . . . . A 7 LEU HA . 30814 1 109 . 1 . 1 14 14 LEU HB2 H 1 1.7920 0.02 . 2 . . . . A 7 LEU HB3 . 30814 1 110 . 1 . 1 14 14 LEU HB3 H 1 1.9500 0.02 . 2 . . . . A 7 LEU HB3 . 30814 1 111 . 1 . 1 14 14 LEU HG H 1 1.2440 0.02 . 1 . . . . A 7 LEU HG . 30814 1 112 . 1 . 1 14 14 LEU HD11 H 1 1.0070 0.02 . 2 . . . . A 7 LEU HD11 . 30814 1 113 . 1 . 1 14 14 LEU HD12 H 1 1.0070 0.02 . 2 . . . . A 7 LEU HD12 . 30814 1 114 . 1 . 1 14 14 LEU HD13 H 1 1.0070 0.02 . 2 . . . . A 7 LEU HD13 . 30814 1 115 . 1 . 1 14 14 LEU HD21 H 1 0.4490 0.02 . 2 . . . . A 7 LEU HD21 . 30814 1 116 . 1 . 1 14 14 LEU HD22 H 1 0.4490 0.02 . 2 . . . . A 7 LEU HD22 . 30814 1 117 . 1 . 1 14 14 LEU HD23 H 1 0.4490 0.02 . 2 . . . . A 7 LEU HD23 . 30814 1 118 . 1 . 1 14 14 LEU CA C 13 58.8476 0.03 . 1 . . 19465 . A 7 LEU CA . 30814 1 119 . 1 . 1 14 14 LEU CB C 13 41.8290 0.03 . 1 . . 17388 . A 7 LEU CB . 30814 1 120 . 1 . 1 14 14 LEU CG C 13 28.6530 0.03 . 1 . . . . A 7 LEU CG . 30814 1 121 . 1 . 1 14 14 LEU CD1 C 13 25.8190 0.03 . 2 . . . . A 7 LEU CD1 . 30814 1 122 . 1 . 1 14 14 LEU CD2 C 13 26.2530 0.03 . 2 . . . . A 7 LEU CD2 . 30814 1 123 . 1 . 1 14 14 LEU N N 15 127.9980 0.03 . 1 . . 17377 . A 7 LEU N . 30814 1 124 . 1 . 1 15 15 TYR H H 1 7.3890 0.02 . 1 . . 19461 . A 8 TYR H . 30814 1 125 . 1 . 1 15 15 TYR HA H 1 5.4660 0.02 . 1 . . . . A 8 TYR HA . 30814 1 126 . 1 . 1 15 15 TYR HB2 H 1 3.0590 0.02 . 2 . . . . A 8 TYR HB3 . 30814 1 127 . 1 . 1 15 15 TYR HB3 H 1 3.3140 0.02 . 2 . . . . A 8 TYR HB3 . 30814 1 128 . 1 . 1 15 15 TYR HD1 H 1 6.8300 0.02 . 3 . . . . A 8 TYR HD1 . 30814 1 129 . 1 . 1 15 15 TYR HE1 H 1 6.7220 0.02 . 3 . . . . A 8 TYR HE1 . 30814 1 130 . 1 . 1 15 15 TYR CA C 13 55.5240 0.03 . 1 . . 12876 . A 8 TYR CA . 30814 1 131 . 1 . 1 15 15 TYR CB C 13 41.7300 0.03 . 1 . . 15021 . A 8 TYR CB . 30814 1 132 . 1 . 1 15 15 TYR CD1 C 13 133.8300 0.03 . 3 . . . . A 8 TYR CD1 . 30814 1 133 . 1 . 1 15 15 TYR CE1 C 13 117.8300 0.03 . 3 . . . . A 8 TYR CE1 . 30814 1 134 . 1 . 1 15 15 TYR N N 15 112.3990 0.03 . 1 . . 19463 . A 8 TYR N . 30814 1 135 . 1 . 1 16 16 ALA H H 1 8.7670 0.02 . 1 . . 12881 . A 9 ALA H . 30814 1 136 . 1 . 1 16 16 ALA HA H 1 5.5950 0.02 . 1 . . . . A 9 ALA HA . 30814 1 137 . 1 . 1 16 16 ALA HB1 H 1 1.4830 0.02 . 1 . . . . A 9 ALA HB1 . 30814 1 138 . 1 . 1 16 16 ALA HB2 H 1 1.4830 0.02 . 1 . . . . A 9 ALA HB2 . 30814 1 139 . 1 . 1 16 16 ALA HB3 H 1 1.4830 0.02 . 1 . . . . A 9 ALA HB3 . 30814 1 140 . 1 . 1 16 16 ALA CA C 13 49.8010 0.03 . 1 . . 14001 . A 9 ALA CA . 30814 1 141 . 1 . 1 16 16 ALA CB C 13 23.8480 0.03 . 1 . . 12921 . A 9 ALA CB . 30814 1 142 . 1 . 1 16 16 ALA N N 15 119.6280 0.03 . 1 . . 12883 . A 9 ALA N . 30814 1 143 . 1 . 1 17 17 GLU H H 1 8.6460 0.02 . 1 . . 15236 . A 10 GLU H . 30814 1 144 . 1 . 1 17 17 GLU HA H 1 5.2350 0.02 . 1 . . . . A 10 GLU HA . 30814 1 145 . 1 . 1 17 17 GLU HB2 H 1 2.0160 0.02 . 2 . . . . A 10 GLU HB3 . 30814 1 146 . 1 . 1 17 17 GLU HB3 H 1 1.9290 0.02 . 2 . . . . A 10 GLU HB3 . 30814 1 147 . 1 . 1 17 17 GLU HG2 H 1 2.2440 0.02 . 2 . . . . A 10 GLU HG3 . 30814 1 148 . 1 . 1 17 17 GLU HG3 H 1 2.1690 0.02 . 2 . . . . A 10 GLU HG3 . 30814 1 149 . 1 . 1 17 17 GLU CA C 13 54.2290 0.03 . 1 . . 14052 . A 10 GLU CA . 30814 1 150 . 1 . 1 17 17 GLU CB C 13 34.4180 0.03 . 1 . . 14064 . A 10 GLU CB . 30814 1 151 . 1 . 1 17 17 GLU CG C 13 37.2900 0.03 . 1 . . . . A 10 GLU CG . 30814 1 152 . 1 . 1 17 17 GLU N N 15 116.2140 0.03 . 1 . . 15237 . A 10 GLU N . 30814 1 153 . 1 . 1 18 18 ASN H H 1 8.5800 0.02 . 1 . . 15246 . A 11 ASN H . 30814 1 154 . 1 . 1 18 18 ASN HA H 1 3.9730 0.02 . 1 . . . . A 11 ASN HA . 30814 1 155 . 1 . 1 18 18 ASN HB2 H 1 2.8500 0.02 . 2 . . . . A 11 ASN HB3 . 30814 1 156 . 1 . 1 18 18 ASN HB3 H 1 3.2100 0.02 . 2 . . . . A 11 ASN HB3 . 30814 1 157 . 1 . 1 18 18 ASN HD21 H 1 7.4390 0.02 . 2 . . . . A 11 ASN HD21 . 30814 1 158 . 1 . 1 18 18 ASN HD22 H 1 7.0730 0.02 . 2 . . . . A 11 ASN HD22 . 30814 1 159 . 1 . 1 18 18 ASN CA C 13 54.2380 0.03 . 1 . . 21958 . A 11 ASN CA . 30814 1 160 . 1 . 1 18 18 ASN CB C 13 37.4460 0.03 . 1 . . 22389 . A 11 ASN CB . 30814 1 161 . 1 . 1 18 18 ASN N N 15 117.6300 0.03 . 1 . . 15247 . A 11 ASN N . 30814 1 162 . 1 . 1 18 18 ASN ND2 N 15 114.0140 0.03 . 1 . . . . A 11 ASN ND2 . 30814 1 163 . 1 . 1 19 19 VAL H H 1 9.2400 0.02 . 1 . . 14960 . A 12 VAL H . 30814 1 164 . 1 . 1 19 19 VAL HA H 1 3.8410 0.02 . 1 . . . . A 12 VAL HA . 30814 1 165 . 1 . 1 19 19 VAL HB H 1 1.8390 0.02 . 1 . . . . A 12 VAL HB . 30814 1 166 . 1 . 1 19 19 VAL HG11 H 1 0.6530 0.02 . 2 . . . . A 12 VAL HG11 . 30814 1 167 . 1 . 1 19 19 VAL HG12 H 1 0.6530 0.02 . 2 . . . . A 12 VAL HG12 . 30814 1 168 . 1 . 1 19 19 VAL HG13 H 1 0.6530 0.02 . 2 . . . . A 12 VAL HG13 . 30814 1 169 . 1 . 1 19 19 VAL HG21 H 1 0.6840 0.02 . 2 . . . . A 12 VAL HG21 . 30814 1 170 . 1 . 1 19 19 VAL HG22 H 1 0.6840 0.02 . 2 . . . . A 12 VAL HG22 . 30814 1 171 . 1 . 1 19 19 VAL HG23 H 1 0.6840 0.02 . 2 . . . . A 12 VAL HG23 . 30814 1 172 . 1 . 1 19 19 VAL CA C 13 61.9230 0.03 . 1 . . 24128 . A 12 VAL CA . 30814 1 173 . 1 . 1 19 19 VAL CB C 13 31.8180 0.03 . 1 . . 23119 . A 12 VAL CB . 30814 1 174 . 1 . 1 19 19 VAL CG1 C 13 23.1220 0.03 . 2 . . . . A 12 VAL CG1 . 30814 1 175 . 1 . 1 19 19 VAL CG2 C 13 22.5220 0.03 . 2 . . . . A 12 VAL CG2 . 30814 1 176 . 1 . 1 19 19 VAL N N 15 118.8040 0.03 . 1 . . 14962 . A 12 VAL N . 30814 1 177 . 1 . 1 20 20 HIS H H 1 8.5640 0.02 . 1 . . . . A 13 HIS H . 30814 1 178 . 1 . 1 20 20 HIS HA H 1 4.9980 0.02 . 1 . . . . A 13 HIS HA . 30814 1 179 . 1 . 1 20 20 HIS HB2 H 1 2.9720 0.02 . 2 . . . . A 13 HIS HB3 . 30814 1 180 . 1 . 1 20 20 HIS HB3 H 1 3.2520 0.02 . 2 . . . . A 13 HIS HB3 . 30814 1 181 . 1 . 1 20 20 HIS HD2 H 1 7.0400 0.02 . 1 . . . . A 13 HIS HD2 . 30814 1 182 . 1 . 1 20 20 HIS HE1 H 1 8.4430 0.02 . 1 . . . . A 13 HIS HE1 . 30814 1 183 . 1 . 1 20 20 HIS CA C 13 54.7000 0.03 . 1 . . . . A 13 HIS CA . 30814 1 184 . 1 . 1 20 20 HIS CB C 13 33.0100 0.03 . 1 . . . . A 13 HIS CB . 30814 1 185 . 1 . 1 20 20 HIS CD2 C 13 119.9700 0.03 . 1 . . . . A 13 HIS CD2 . 30814 1 186 . 1 . 1 20 20 HIS CE1 C 13 136.8200 0.03 . 1 . . . . A 13 HIS CE1 . 30814 1 187 . 1 . 1 20 20 HIS N N 15 125.4230 0.03 . 1 . . . . A 13 HIS N . 30814 1 188 . 1 . 1 21 21 THR H H 1 8.5470 0.02 . 1 . . . . A 14 THR H . 30814 1 189 . 1 . 1 21 21 THR HA H 1 4.7710 0.02 . 1 . . . . A 14 THR HA . 30814 1 190 . 1 . 1 21 21 THR HB H 1 4.4430 0.02 . 1 . . . . A 14 THR HB . 30814 1 191 . 1 . 1 21 21 THR HG21 H 1 1.1570 0.02 . 1 . . . . A 14 THR HG21 . 30814 1 192 . 1 . 1 21 21 THR HG22 H 1 1.1570 0.02 . 1 . . . . A 14 THR HG22 . 30814 1 193 . 1 . 1 21 21 THR HG23 H 1 1.1570 0.02 . 1 . . . . A 14 THR HG23 . 30814 1 194 . 1 . 1 21 21 THR CA C 13 61.1390 0.03 . 1 . . . . A 14 THR CA . 30814 1 195 . 1 . 1 21 21 THR CB C 13 67.8880 0.03 . 1 . . . . A 14 THR CB . 30814 1 196 . 1 . 1 21 21 THR CG2 C 13 21.2120 0.03 . 1 . . . . A 14 THR CG2 . 30814 1 197 . 1 . 1 21 21 THR N N 15 113.7490 0.03 . 1 . . . . A 14 THR N . 30814 1 198 . 1 . 1 22 22 PRO HA H 1 4.9700 0.02 . 1 . . . . A 15 PRO HA . 30814 1 199 . 1 . 1 22 22 PRO HB2 H 1 1.9690 0.02 . 2 . . . . A 15 PRO HB3 . 30814 1 200 . 1 . 1 22 22 PRO HB3 H 1 2.4510 0.02 . 2 . . . . A 15 PRO HB3 . 30814 1 201 . 1 . 1 22 22 PRO HG2 H 1 2.1130 0.02 . 2 . . . . A 15 PRO HG3 . 30814 1 202 . 1 . 1 22 22 PRO HG3 H 1 1.9590 0.02 . 2 . . . . A 15 PRO HG3 . 30814 1 203 . 1 . 1 22 22 PRO HD2 H 1 3.7120 0.02 . 2 . . . . A 15 PRO HD3 . 30814 1 204 . 1 . 1 22 22 PRO HD3 H 1 3.4370 0.02 . 2 . . . . A 15 PRO HD3 . 30814 1 205 . 1 . 1 22 22 PRO CA C 13 63.3300 0.03 . 1 . . . . A 15 PRO CA . 30814 1 206 . 1 . 1 22 22 PRO CB C 13 32.1910 0.03 . 1 . . . . A 15 PRO CB . 30814 1 207 . 1 . 1 22 22 PRO CG C 13 27.5730 0.03 . 1 . . . . A 15 PRO CG . 30814 1 208 . 1 . 1 22 22 PRO CD C 13 50.5730 0.03 . 1 . . . . A 15 PRO CD . 30814 1 209 . 1 . 1 23 23 ASP H H 1 8.0060 0.02 . 1 . . . . A 16 ASP H . 30814 1 210 . 1 . 1 23 23 ASP HA H 1 4.8890 0.02 . 1 . . . . A 16 ASP HA . 30814 1 211 . 1 . 1 23 23 ASP HB2 H 1 3.3060 0.02 . 2 . . . . A 16 ASP HB3 . 30814 1 212 . 1 . 1 23 23 ASP HB3 H 1 2.6480 0.02 . 2 . . . . A 16 ASP HB3 . 30814 1 213 . 1 . 1 23 23 ASP CB C 13 40.8190 0.03 . 1 . . . . A 16 ASP CB . 30814 1 214 . 1 . 1 23 23 ASP N N 15 120.0110 0.03 . 1 . . . . A 16 ASP N . 30814 1 215 . 1 . 1 24 24 THR H H 1 7.4680 0.02 . 1 . . . . A 17 THR H . 30814 1 216 . 1 . 1 24 24 THR HA H 1 4.1470 0.02 . 1 . . . . A 17 THR HA . 30814 1 217 . 1 . 1 24 24 THR HB H 1 4.4270 0.02 . 1 . . . . A 17 THR HB . 30814 1 218 . 1 . 1 24 24 THR HG21 H 1 1.2630 0.02 . 1 . . . . A 17 THR HG21 . 30814 1 219 . 1 . 1 24 24 THR HG22 H 1 1.2630 0.02 . 1 . . . . A 17 THR HG22 . 30814 1 220 . 1 . 1 24 24 THR HG23 H 1 1.2630 0.02 . 1 . . . . A 17 THR HG23 . 30814 1 221 . 1 . 1 24 24 THR CA C 13 62.5500 0.03 . 1 . . . . A 17 THR CA . 30814 1 222 . 1 . 1 24 24 THR CB C 13 69.2330 0.03 . 1 . . . . A 17 THR CB . 30814 1 223 . 1 . 1 24 24 THR CG2 C 13 22.0230 0.03 . 1 . . . . A 17 THR CG2 . 30814 1 224 . 1 . 1 24 24 THR N N 15 106.4300 0.03 . 1 . . . . A 17 THR N . 30814 1 225 . 1 . 1 25 25 ASP H H 1 8.0570 0.02 . 1 . . . . A 18 ASP H . 30814 1 226 . 1 . 1 25 25 ASP HA H 1 4.3360 0.02 . 1 . . . . A 18 ASP HA . 30814 1 227 . 1 . 1 25 25 ASP HB2 H 1 2.5060 0.02 . 2 . . . . A 18 ASP HB3 . 30814 1 228 . 1 . 1 25 25 ASP HB3 H 1 2.7980 0.02 . 2 . . . . A 18 ASP HB3 . 30814 1 229 . 1 . 1 25 25 ASP CA C 13 54.2050 0.03 . 1 . . . . A 18 ASP CA . 30814 1 230 . 1 . 1 25 25 ASP CB C 13 41.4410 0.03 . 1 . . . . A 18 ASP CB . 30814 1 231 . 1 . 1 25 25 ASP N N 15 123.1750 0.03 . 1 . . . . A 18 ASP N . 30814 1 232 . 1 . 1 26 26 ILE H H 1 8.6370 0.02 . 1 . . . . A 19 ILE H . 30814 1 233 . 1 . 1 26 26 ILE HA H 1 4.1340 0.02 . 1 . . . . A 19 ILE HA . 30814 1 234 . 1 . 1 26 26 ILE HB H 1 1.7730 0.02 . 1 . . . . A 19 ILE HB . 30814 1 235 . 1 . 1 26 26 ILE HG12 H 1 1.3190 0.02 . 2 . . . . A 19 ILE HG13 . 30814 1 236 . 1 . 1 26 26 ILE HG13 H 1 1.6030 0.02 . 2 . . . . A 19 ILE HG13 . 30814 1 237 . 1 . 1 26 26 ILE HG21 H 1 0.8210 0.02 . 1 . . . . A 19 ILE HG21 . 30814 1 238 . 1 . 1 26 26 ILE HG22 H 1 0.8210 0.02 . 1 . . . . A 19 ILE HG22 . 30814 1 239 . 1 . 1 26 26 ILE HG23 H 1 0.8210 0.02 . 1 . . . . A 19 ILE HG23 . 30814 1 240 . 1 . 1 26 26 ILE HD11 H 1 0.8320 0.02 . 1 . . . . A 19 ILE HD11 . 30814 1 241 . 1 . 1 26 26 ILE HD12 H 1 0.8320 0.02 . 1 . . . . A 19 ILE HD12 . 30814 1 242 . 1 . 1 26 26 ILE HD13 H 1 0.8320 0.02 . 1 . . . . A 19 ILE HD13 . 30814 1 243 . 1 . 1 26 26 ILE CA C 13 61.6160 0.03 . 1 . . . . A 19 ILE CA . 30814 1 244 . 1 . 1 26 26 ILE CB C 13 35.9380 0.03 . 1 . . . . A 19 ILE CB . 30814 1 245 . 1 . 1 26 26 ILE CG1 C 13 26.9870 0.03 . 1 . . . . A 19 ILE CG1 . 30814 1 246 . 1 . 1 26 26 ILE CG2 C 13 16.7400 0.03 . 1 . . . . A 19 ILE CG2 . 30814 1 247 . 1 . 1 26 26 ILE CD1 C 13 11.2360 0.03 . 1 . . . . A 19 ILE CD1 . 30814 1 248 . 1 . 1 26 26 ILE N N 15 129.6310 0.03 . 1 . . . . A 19 ILE N . 30814 1 249 . 1 . 1 27 27 SER H H 1 8.3890 0.02 . 1 . . . . A 20 SER H . 30814 1 250 . 1 . 1 27 27 SER HA H 1 4.6290 0.02 . 1 . . . . A 20 SER HA . 30814 1 251 . 1 . 1 27 27 SER HB2 H 1 3.9260 0.02 . 2 . . . . A 20 SER HB3 . 30814 1 252 . 1 . 1 27 27 SER HB3 H 1 3.3860 0.02 . 2 . . . . A 20 SER HB3 . 30814 1 253 . 1 . 1 27 27 SER CA C 13 57.7710 0.03 . 1 . . . . A 20 SER CA . 30814 1 254 . 1 . 1 27 27 SER CB C 13 64.2430 0.03 . 1 . . . . A 20 SER CB . 30814 1 255 . 1 . 1 27 27 SER N N 15 126.1610 0.03 . 1 . . . . A 20 SER N . 30814 1 256 . 1 . 1 28 28 ASP H H 1 9.3900 0.02 . 1 . . . . A 21 ASP H . 30814 1 257 . 1 . 1 28 28 ASP HA H 1 5.9220 0.02 . 1 . . . . A 21 ASP HA . 30814 1 258 . 1 . 1 28 28 ASP HB2 H 1 3.4960 0.02 . 2 . . . . A 21 ASP HB3 . 30814 1 259 . 1 . 1 28 28 ASP HB3 H 1 2.4490 0.02 . 2 . . . . A 21 ASP HB3 . 30814 1 260 . 1 . 1 28 28 ASP CA C 13 51.0390 0.03 . 1 . . . . A 21 ASP CA . 30814 1 261 . 1 . 1 28 28 ASP CB C 13 41.0240 0.03 . 1 . . . . A 21 ASP CB . 30814 1 262 . 1 . 1 28 28 ASP N N 15 127.7010 0.03 . 1 . . . . A 21 ASP N . 30814 1 263 . 1 . 1 29 29 ALA H H 1 9.2140 0.02 . 1 . . . . A 22 ALA H . 30814 1 264 . 1 . 1 29 29 ALA HA H 1 5.6070 0.02 . 1 . . . . A 22 ALA HA . 30814 1 265 . 1 . 1 29 29 ALA HB1 H 1 1.4320 0.02 . 1 . . . . A 22 ALA HB1 . 30814 1 266 . 1 . 1 29 29 ALA HB2 H 1 1.4320 0.02 . 1 . . . . A 22 ALA HB2 . 30814 1 267 . 1 . 1 29 29 ALA HB3 H 1 1.4320 0.02 . 1 . . . . A 22 ALA HB3 . 30814 1 268 . 1 . 1 29 29 ALA CA C 13 52.9520 0.03 . 1 . . 22700 . A 22 ALA CA . 30814 1 269 . 1 . 1 29 29 ALA CB C 13 21.1550 0.03 . 1 . . 12789 . A 22 ALA CB . 30814 1 270 . 1 . 1 29 29 ALA N N 15 123.3970 0.03 . 1 . . . . A 22 ALA N . 30814 1 271 . 1 . 1 30 30 TYR H H 1 8.9710 0.02 . 1 . . 15005 . A 23 TYR H . 30814 1 272 . 1 . 1 30 30 TYR HA H 1 4.5670 0.02 . 1 . . . . A 23 TYR HA . 30814 1 273 . 1 . 1 30 30 TYR HB3 H 1 2.7950 0.02 . 2 . . . . A 23 TYR HB3 . 30814 1 274 . 1 . 1 30 30 TYR HD1 H 1 6.9020 0.02 . 3 . . . . A 23 TYR HD1 . 30814 1 275 . 1 . 1 30 30 TYR HE1 H 1 6.5270 0.02 . 3 . . . . A 23 TYR HE1 . 30814 1 276 . 1 . 1 30 30 TYR CA C 13 55.8000 0.03 . 1 . . 13881 . A 23 TYR CA . 30814 1 277 . 1 . 1 30 30 TYR CB C 13 41.6910 0.03 . 1 . . 22479 . A 23 TYR CB . 30814 1 278 . 1 . 1 30 30 TYR CD1 C 13 133.8600 0.03 . 3 . . . . A 23 TYR CD1 . 30814 1 279 . 1 . 1 30 30 TYR CE1 C 13 117.2300 0.03 . 3 . . . . A 23 TYR CE1 . 30814 1 280 . 1 . 1 30 30 TYR N N 15 115.9580 0.03 . 1 . . 15007 . A 23 TYR N . 30814 1 281 . 1 . 1 31 31 CYS H H 1 8.2590 0.02 . 1 . . 22489 . A 24 CYS H . 30814 1 282 . 1 . 1 31 31 CYS HA H 1 5.0200 0.02 . 1 . . . . A 24 CYS HA . 30814 1 283 . 1 . 1 31 31 CYS HB3 H 1 1.8180 0.02 . 2 . . . . A 24 CYS HB3 . 30814 1 284 . 1 . 1 31 31 CYS CA C 13 56.7620 0.03 . 1 . . 14367 . A 24 CYS CA . 30814 1 285 . 1 . 1 31 31 CYS CB C 13 29.1640 0.03 . 1 . . 14973 . A 24 CYS CB . 30814 1 286 . 1 . 1 31 31 CYS N N 15 117.7290 0.03 . 1 . . 22490 . A 24 CYS N . 30814 1 287 . 1 . 1 32 32 SER H H 1 9.2160 0.02 . 1 . . 15162 . A 25 SER H . 30814 1 288 . 1 . 1 32 32 SER HA H 1 5.2850 0.02 . 1 . . . . A 25 SER HA . 30814 1 289 . 1 . 1 32 32 SER HB3 H 1 3.6430 0.02 . 2 . . . . A 25 SER HB3 . 30814 1 290 . 1 . 1 32 32 SER CA C 13 56.3020 0.03 . 1 . . 13746 . A 25 SER CA . 30814 1 291 . 1 . 1 32 32 SER CB C 13 64.9630 0.03 . 1 . . 14949 . A 25 SER CB . 30814 1 292 . 1 . 1 32 32 SER N N 15 119.9430 0.03 . 1 . . 15163 . A 25 SER N . 30814 1 293 . 1 . 1 33 33 ALA H H 1 9.2440 0.02 . 1 . . 15154 . A 26 ALA H . 30814 1 294 . 1 . 1 33 33 ALA HA H 1 5.3670 0.02 . 1 . . . . A 26 ALA HA . 30814 1 295 . 1 . 1 33 33 ALA HB1 H 1 1.2740 0.02 . 1 . . . . A 26 ALA HB1 . 30814 1 296 . 1 . 1 33 33 ALA HB2 H 1 1.2740 0.02 . 1 . . . . A 26 ALA HB2 . 30814 1 297 . 1 . 1 33 33 ALA HB3 H 1 1.2740 0.02 . 1 . . . . A 26 ALA HB3 . 30814 1 298 . 1 . 1 33 33 ALA CA C 13 50.3520 0.03 . 1 . . 13722 . A 26 ALA CA . 30814 1 299 . 1 . 1 33 33 ALA CB C 13 22.4460 0.03 . 1 . . 13725 . A 26 ALA CB . 30814 1 300 . 1 . 1 33 33 ALA N N 15 128.1290 0.03 . 1 . . 15155 . A 26 ALA N . 30814 1 301 . 1 . 1 34 34 VAL H H 1 8.9930 0.02 . 1 . . 16341 . A 27 VAL H . 30814 1 302 . 1 . 1 34 34 VAL HA H 1 5.0430 0.02 . 1 . . . . A 27 VAL HA . 30814 1 303 . 1 . 1 34 34 VAL HB H 1 1.9610 0.02 . 1 . . . . A 27 VAL HB . 30814 1 304 . 1 . 1 34 34 VAL HG21 H 1 0.8190 0.02 . 2 . . . . A 27 VAL HG21 . 30814 1 305 . 1 . 1 34 34 VAL HG22 H 1 0.8190 0.02 . 2 . . . . A 27 VAL HG22 . 30814 1 306 . 1 . 1 34 34 VAL HG23 H 1 0.8190 0.02 . 2 . . . . A 27 VAL HG23 . 30814 1 307 . 1 . 1 34 34 VAL CA C 13 60.8250 0.03 . 1 . . 16348 . A 27 VAL CA . 30814 1 308 . 1 . 1 34 34 VAL CB C 13 34.5420 0.03 . 1 . . 14715 . A 27 VAL CB . 30814 1 309 . 1 . 1 34 34 VAL CG2 C 13 21.0800 0.03 . 2 . . . . A 27 VAL CG2 . 30814 1 310 . 1 . 1 34 34 VAL N N 15 121.0760 0.03 . 1 . . 16343 . A 27 VAL N . 30814 1 311 . 1 . 1 35 35 PHE H H 1 7.9000 0.02 . 1 . . 15348 . A 28 PHE H . 30814 1 312 . 1 . 1 35 35 PHE HA H 1 4.2490 0.02 . 1 . . . . A 28 PHE HA . 30814 1 313 . 1 . 1 35 35 PHE HB2 H 1 1.6520 0.02 . 2 . . . . A 28 PHE HB3 . 30814 1 314 . 1 . 1 35 35 PHE HB3 H 1 0.7600 0.02 . 2 . . . . A 28 PHE HB3 . 30814 1 315 . 1 . 1 35 35 PHE HD1 H 1 6.6640 0.02 . 3 . . . . A 28 PHE HD1 . 30814 1 316 . 1 . 1 35 35 PHE HE1 H 1 7.0080 0.02 . 3 . . . . A 28 PHE HE1 . 30814 1 317 . 1 . 1 35 35 PHE CA C 13 58.1960 0.03 . 1 . . 14721 . A 28 PHE CA . 30814 1 318 . 1 . 1 35 35 PHE CB C 13 40.4530 0.03 . 1 . . 13248 . A 28 PHE CB . 30814 1 319 . 1 . 1 35 35 PHE CD1 C 13 131.5000 0.03 . 3 . . . . A 28 PHE CD1 . 30814 1 320 . 1 . 1 35 35 PHE CE1 C 13 131.4700 0.03 . 3 . . . . A 28 PHE CE1 . 30814 1 321 . 1 . 1 35 35 PHE N N 15 127.1040 0.03 . 1 . . 15349 . A 28 PHE N . 30814 1 322 . 1 . 1 36 36 ALA H H 1 8.1850 0.02 . 1 . . 15316 . A 29 ALA H . 30814 1 323 . 1 . 1 36 36 ALA HA H 1 3.5850 0.02 . 1 . . . . A 29 ALA HA . 30814 1 324 . 1 . 1 36 36 ALA HB1 H 1 1.0310 0.02 . 1 . . . . A 29 ALA HB1 . 30814 1 325 . 1 . 1 36 36 ALA HB2 H 1 1.0310 0.02 . 1 . . . . A 29 ALA HB2 . 30814 1 326 . 1 . 1 36 36 ALA HB3 H 1 1.0310 0.02 . 1 . . . . A 29 ALA HB3 . 30814 1 327 . 1 . 1 36 36 ALA CA C 13 52.6040 0.03 . 1 . . 22743 . A 29 ALA CA . 30814 1 328 . 1 . 1 36 36 ALA CB C 13 17.0580 0.03 . 1 . . 14511 . A 29 ALA CB . 30814 1 329 . 1 . 1 36 36 ALA N N 15 129.8540 0.03 . 1 . . 15317 . A 29 ALA N . 30814 1 330 . 1 . 1 37 37 GLY H H 1 8.2630 0.02 . 1 . . 22784 . A 30 GLY H . 30814 1 331 . 1 . 1 37 37 GLY HA2 H 1 3.5020 0.02 . 2 . . . . A 30 GLY HA3 . 30814 1 332 . 1 . 1 37 37 GLY HA3 H 1 4.0720 0.02 . 2 . . . . A 30 GLY HA3 . 30814 1 333 . 1 . 1 37 37 GLY CA C 13 45.5050 0.03 . 1 . . 13188 . A 30 GLY CA . 30814 1 334 . 1 . 1 37 37 GLY N N 15 102.3300 0.03 . 1 . . 22786 . A 30 GLY N . 30814 1 335 . 1 . 1 38 38 VAL H H 1 8.2150 0.02 . 1 . . 15306 . A 31 VAL H . 30814 1 336 . 1 . 1 38 38 VAL HA H 1 4.3740 0.02 . 1 . . . . A 31 VAL HA . 30814 1 337 . 1 . 1 38 38 VAL HB H 1 2.5300 0.02 . 1 . . . . A 31 VAL HB . 30814 1 338 . 1 . 1 38 38 VAL HG11 H 1 1.1730 0.02 . 2 . . . . A 31 VAL HG11 . 30814 1 339 . 1 . 1 38 38 VAL HG12 H 1 1.1730 0.02 . 2 . . . . A 31 VAL HG12 . 30814 1 340 . 1 . 1 38 38 VAL HG13 H 1 1.1730 0.02 . 2 . . . . A 31 VAL HG13 . 30814 1 341 . 1 . 1 38 38 VAL HG21 H 1 1.0620 0.02 . 2 . . . . A 31 VAL HG21 . 30814 1 342 . 1 . 1 38 38 VAL HG22 H 1 1.0620 0.02 . 2 . . . . A 31 VAL HG22 . 30814 1 343 . 1 . 1 38 38 VAL HG23 H 1 1.0620 0.02 . 2 . . . . A 31 VAL HG23 . 30814 1 344 . 1 . 1 38 38 VAL CA C 13 62.8070 0.03 . 1 . . 13944 . A 31 VAL CA . 30814 1 345 . 1 . 1 38 38 VAL CB C 13 33.5090 0.03 . 1 . . 13968 . A 31 VAL CB . 30814 1 346 . 1 . 1 38 38 VAL CG1 C 13 21.1810 0.03 . 2 . . . . A 31 VAL CG1 . 30814 1 347 . 1 . 1 38 38 VAL CG2 C 13 21.5470 0.03 . 2 . . . . A 31 VAL CG2 . 30814 1 348 . 1 . 1 38 38 VAL N N 15 123.4790 0.03 . 1 . . 15307 . A 31 VAL N . 30814 1 349 . 1 . 1 39 39 LYS H H 1 8.9070 0.02 . 1 . . 12827 . A 32 LYS H . 30814 1 350 . 1 . 1 39 39 LYS HA H 1 5.2110 0.02 . 1 . . . . A 32 LYS HA . 30814 1 351 . 1 . 1 39 39 LYS HB2 H 1 1.6930 0.02 . 2 . . . . A 32 LYS HB3 . 30814 1 352 . 1 . 1 39 39 LYS HB3 H 1 1.7780 0.02 . 2 . . . . A 32 LYS HB3 . 30814 1 353 . 1 . 1 39 39 LYS HG2 H 1 1.2870 0.02 . 2 . . . . A 32 LYS HG3 . 30814 1 354 . 1 . 1 39 39 LYS HG3 H 1 1.2560 0.02 . 2 . . . . A 32 LYS HG3 . 30814 1 355 . 1 . 1 39 39 LYS HD3 H 1 1.6540 0.02 . 2 . . . . A 32 LYS HD3 . 30814 1 356 . 1 . 1 39 39 LYS HE3 H 1 2.9390 0.02 . 2 . . . . A 32 LYS HE3 . 30814 1 357 . 1 . 1 39 39 LYS CA C 13 55.6010 0.03 . 1 . . 15855 . A 32 LYS CA . 30814 1 358 . 1 . 1 39 39 LYS CB C 13 34.3620 0.03 . 1 . . 15012 . A 32 LYS CB . 30814 1 359 . 1 . 1 39 39 LYS CG C 13 25.0250 0.03 . 1 . . . . A 32 LYS CG . 30814 1 360 . 1 . 1 39 39 LYS CD C 13 29.3630 0.03 . 1 . . . . A 32 LYS CD . 30814 1 361 . 1 . 1 39 39 LYS CE C 13 41.8540 0.03 . 1 . . . . A 32 LYS CE . 30814 1 362 . 1 . 1 39 39 LYS N N 15 131.5270 0.03 . 1 . . 12829 . A 32 LYS N . 30814 1 363 . 1 . 1 40 40 LYS H H 1 9.1630 0.02 . 1 . . 15851 . A 33 LYS H . 30814 1 364 . 1 . 1 40 40 LYS HA H 1 4.4440 0.02 . 1 . . . . A 33 LYS HA . 30814 1 365 . 1 . 1 40 40 LYS HB2 H 1 0.7980 0.02 . 2 . . . . A 33 LYS HB3 . 30814 1 366 . 1 . 1 40 40 LYS HB3 H 1 0.6220 0.02 . 2 . . . . A 33 LYS HB3 . 30814 1 367 . 1 . 1 40 40 LYS HG2 H 1 0.9720 0.02 . 2 . . . . A 33 LYS HG3 . 30814 1 368 . 1 . 1 40 40 LYS HG3 H 1 0.4390 0.02 . 2 . . . . A 33 LYS HG3 . 30814 1 369 . 1 . 1 40 40 LYS HD2 H 1 1.2480 0.02 . 2 . . . . A 33 LYS HD3 . 30814 1 370 . 1 . 1 40 40 LYS HD3 H 1 0.4330 0.02 . 2 . . . . A 33 LYS HD3 . 30814 1 371 . 1 . 1 40 40 LYS HE3 H 1 2.4710 0.02 . 2 . . . . A 33 LYS HE3 . 30814 1 372 . 1 . 1 40 40 LYS CA C 13 54.4050 0.03 . 1 . . 15861 . A 33 LYS CA . 30814 1 373 . 1 . 1 40 40 LYS CB C 13 35.0440 0.03 . 1 . . 15867 . A 33 LYS CB . 30814 1 374 . 1 . 1 40 40 LYS CG C 13 26.3640 0.03 . 1 . . . . A 33 LYS CG . 30814 1 375 . 1 . 1 40 40 LYS CD C 13 28.5030 0.03 . 1 . . . . A 33 LYS CD . 30814 1 376 . 1 . 1 40 40 LYS CE C 13 41.8100 0.03 . 1 . . . . A 33 LYS CE . 30814 1 377 . 1 . 1 40 40 LYS N N 15 126.1230 0.03 . 1 . . 15853 . A 33 LYS N . 30814 1 378 . 1 . 1 41 41 ARG H H 1 8.2650 0.02 . 1 . . 13157 . A 34 ARG H . 30814 1 379 . 1 . 1 41 41 ARG HA H 1 5.5930 0.02 . 1 . . . . A 34 ARG HA . 30814 1 380 . 1 . 1 41 41 ARG HB2 H 1 1.9550 0.02 . 2 . . . . A 34 ARG HB3 . 30814 1 381 . 1 . 1 41 41 ARG HB3 H 1 1.7620 0.02 . 2 . . . . A 34 ARG HB3 . 30814 1 382 . 1 . 1 41 41 ARG HG2 H 1 1.4900 0.02 . 2 . . . . A 34 ARG HG3 . 30814 1 383 . 1 . 1 41 41 ARG HG3 H 1 1.7850 0.02 . 2 . . . . A 34 ARG HG3 . 30814 1 384 . 1 . 1 41 41 ARG HD2 H 1 2.9700 0.02 . 2 . . . . A 34 ARG HD3 . 30814 1 385 . 1 . 1 41 41 ARG HD3 H 1 3.1030 0.02 . 2 . . . . A 34 ARG HD3 . 30814 1 386 . 1 . 1 41 41 ARG CA C 13 54.2910 0.03 . 1 . . 14370 . A 34 ARG CA . 30814 1 387 . 1 . 1 41 41 ARG CB C 13 34.0920 0.03 . 1 . . 15051 . A 34 ARG CB . 30814 1 388 . 1 . 1 41 41 ARG CG C 13 25.7110 0.03 . 1 . . . . A 34 ARG CG . 30814 1 389 . 1 . 1 41 41 ARG CD C 13 43.6920 0.03 . 1 . . . . A 34 ARG CD . 30814 1 390 . 1 . 1 41 41 ARG N N 15 117.3530 0.03 . 1 . . 13159 . A 34 ARG N . 30814 1 391 . 1 . 1 42 42 THR H H 1 8.4290 0.02 . 1 . . 15268 . A 35 THR H . 30814 1 392 . 1 . 1 42 42 THR HA H 1 4.8740 0.02 . 1 . . . . A 35 THR HA . 30814 1 393 . 1 . 1 42 42 THR HB H 1 4.6870 0.02 . 1 . . . . A 35 THR HB . 30814 1 394 . 1 . 1 42 42 THR HG21 H 1 0.7370 0.02 . 1 . . . . A 35 THR HG21 . 30814 1 395 . 1 . 1 42 42 THR HG22 H 1 0.7370 0.02 . 1 . . . . A 35 THR HG22 . 30814 1 396 . 1 . 1 42 42 THR HG23 H 1 0.7370 0.02 . 1 . . . . A 35 THR HG23 . 30814 1 397 . 1 . 1 42 42 THR CA C 13 60.9564 0.03 . 1 . . 14223 . A 35 THR CA . 30814 1 398 . 1 . 1 42 42 THR CB C 13 72.9126 0.03 . 1 . . 14928 . A 35 THR CB . 30814 1 399 . 1 . 1 42 42 THR CG2 C 13 20.2130 0.03 . 1 . . . . A 35 THR CG2 . 30814 1 400 . 1 . 1 42 42 THR N N 15 111.0830 0.03 . 1 . . 15269 . A 35 THR N . 30814 1 401 . 1 . 1 43 43 LYS H H 1 9.9450 0.02 . 1 . . 15130 . A 36 LYS H . 30814 1 402 . 1 . 1 43 43 LYS HA H 1 4.3730 0.02 . 1 . . . . A 36 LYS HA . 30814 1 403 . 1 . 1 43 43 LYS HB2 H 1 1.9490 0.02 . 2 . . . . A 36 LYS HB3 . 30814 1 404 . 1 . 1 43 43 LYS HB3 H 1 2.0450 0.02 . 2 . . . . A 36 LYS HB3 . 30814 1 405 . 1 . 1 43 43 LYS HG2 H 1 1.7620 0.02 . 2 . . . . A 36 LYS HG3 . 30814 1 406 . 1 . 1 43 43 LYS HG3 H 1 1.6700 0.02 . 2 . . . . A 36 LYS HG3 . 30814 1 407 . 1 . 1 43 43 LYS HD3 H 1 1.7920 0.02 . 2 . . . . A 36 LYS HD3 . 30814 1 408 . 1 . 1 43 43 LYS HE3 H 1 3.1020 0.02 . 2 . . . . A 36 LYS HE3 . 30814 1 409 . 1 . 1 43 43 LYS CA C 13 56.5980 0.03 . 1 . . 17706 . A 36 LYS CA . 30814 1 410 . 1 . 1 43 43 LYS CB C 13 33.5770 0.03 . 1 . . 13632 . A 36 LYS CB . 30814 1 411 . 1 . 1 43 43 LYS CG C 13 24.9560 0.03 . 1 . . . . A 36 LYS CG . 30814 1 412 . 1 . 1 43 43 LYS CD C 13 29.2290 0.03 . 1 . . . . A 36 LYS CD . 30814 1 413 . 1 . 1 43 43 LYS CE C 13 42.1940 0.03 . 1 . . . . A 36 LYS CE . 30814 1 414 . 1 . 1 43 43 LYS N N 15 119.3860 0.03 . 1 . . 15131 . A 36 LYS N . 30814 1 415 . 1 . 1 44 44 VAL H H 1 8.2200 0.02 . 1 . . 17705 . A 37 VAL H . 30814 1 416 . 1 . 1 44 44 VAL HA H 1 4.3580 0.02 . 1 . . . . A 37 VAL HA . 30814 1 417 . 1 . 1 44 44 VAL HB H 1 1.7330 0.02 . 1 . . . . A 37 VAL HB . 30814 1 418 . 1 . 1 44 44 VAL HG11 H 1 0.5950 0.02 . 2 . . . . A 37 VAL HG11 . 30814 1 419 . 1 . 1 44 44 VAL HG12 H 1 0.5950 0.02 . 2 . . . . A 37 VAL HG12 . 30814 1 420 . 1 . 1 44 44 VAL HG13 H 1 0.5950 0.02 . 2 . . . . A 37 VAL HG13 . 30814 1 421 . 1 . 1 44 44 VAL HG21 H 1 0.6710 0.02 . 2 . . . . A 37 VAL HG21 . 30814 1 422 . 1 . 1 44 44 VAL HG22 H 1 0.6710 0.02 . 2 . . . . A 37 VAL HG22 . 30814 1 423 . 1 . 1 44 44 VAL HG23 H 1 0.6710 0.02 . 2 . . . . A 37 VAL HG23 . 30814 1 424 . 1 . 1 44 44 VAL CA C 13 62.2020 0.03 . 1 . . 25809 . A 37 VAL CA . 30814 1 425 . 1 . 1 44 44 VAL CB C 13 33.5790 0.03 . 1 . . 25810 . A 37 VAL CB . 30814 1 426 . 1 . 1 44 44 VAL CG1 C 13 20.8770 0.03 . 2 . . . . A 37 VAL CG1 . 30814 1 427 . 1 . 1 44 44 VAL CG2 C 13 22.6620 0.03 . 2 . . . . A 37 VAL CG2 . 30814 1 428 . 1 . 1 44 44 VAL N N 15 120.8400 0.03 . 1 . . 17707 . A 37 VAL N . 30814 1 429 . 1 . 1 45 45 ILE H H 1 8.4320 0.02 . 1 . . . . A 38 ILE H . 30814 1 430 . 1 . 1 45 45 ILE HA H 1 4.3880 0.02 . 1 . . . . A 38 ILE HA . 30814 1 431 . 1 . 1 45 45 ILE HB H 1 2.0080 0.02 . 1 . . . . A 38 ILE HB . 30814 1 432 . 1 . 1 45 45 ILE HG12 H 1 1.2870 0.02 . 2 . . . . A 38 ILE HG13 . 30814 1 433 . 1 . 1 45 45 ILE HG13 H 1 0.5000 0.02 . 2 . . . . A 38 ILE HG13 . 30814 1 434 . 1 . 1 45 45 ILE HG21 H 1 0.7280 0.02 . 1 . . . . A 38 ILE HG21 . 30814 1 435 . 1 . 1 45 45 ILE HG22 H 1 0.7280 0.02 . 1 . . . . A 38 ILE HG22 . 30814 1 436 . 1 . 1 45 45 ILE HG23 H 1 0.7280 0.02 . 1 . . . . A 38 ILE HG23 . 30814 1 437 . 1 . 1 45 45 ILE HD11 H 1 0.6170 0.02 . 1 . . . . A 38 ILE HD11 . 30814 1 438 . 1 . 1 45 45 ILE HD12 H 1 0.6170 0.02 . 1 . . . . A 38 ILE HD12 . 30814 1 439 . 1 . 1 45 45 ILE HD13 H 1 0.6170 0.02 . 1 . . . . A 38 ILE HD13 . 30814 1 440 . 1 . 1 45 45 ILE CA C 13 57.7270 0.03 . 1 . . . . A 38 ILE CA . 30814 1 441 . 1 . 1 45 45 ILE CB C 13 35.4500 0.03 . 1 . . . . A 38 ILE CB . 30814 1 442 . 1 . 1 45 45 ILE CG1 C 13 26.3660 0.03 . 1 . . . . A 38 ILE CG1 . 30814 1 443 . 1 . 1 45 45 ILE CG2 C 13 17.5550 0.03 . 1 . . . . A 38 ILE CG2 . 30814 1 444 . 1 . 1 45 45 ILE CD1 C 13 9.8610 0.03 . 1 . . . . A 38 ILE CD1 . 30814 1 445 . 1 . 1 45 45 ILE N N 15 129.8250 0.03 . 1 . . . . A 38 ILE N . 30814 1 446 . 1 . 1 46 46 LYS H H 1 8.5150 0.02 . 1 . . . . A 39 LYS H . 30814 1 447 . 1 . 1 46 46 LYS HA H 1 3.9920 0.02 . 1 . . . . A 39 LYS HA . 30814 1 448 . 1 . 1 46 46 LYS HB2 H 1 1.6670 0.02 . 2 . . . . A 39 LYS HB3 . 30814 1 449 . 1 . 1 46 46 LYS HB3 H 1 1.7260 0.02 . 2 . . . . A 39 LYS HB3 . 30814 1 450 . 1 . 1 46 46 LYS HG2 H 1 1.3340 0.02 . 2 . . . . A 39 LYS HG3 . 30814 1 451 . 1 . 1 46 46 LYS HG3 H 1 1.5120 0.02 . 2 . . . . A 39 LYS HG3 . 30814 1 452 . 1 . 1 46 46 LYS HD3 H 1 1.6020 0.02 . 2 . . . . A 39 LYS HD3 . 30814 1 453 . 1 . 1 46 46 LYS HE3 H 1 2.9410 0.02 . 2 . . . . A 39 LYS HE3 . 30814 1 454 . 1 . 1 46 46 LYS CA C 13 57.8530 0.03 . 1 . . . . A 39 LYS CA . 30814 1 455 . 1 . 1 46 46 LYS CB C 13 32.9710 0.03 . 1 . . . . A 39 LYS CB . 30814 1 456 . 1 . 1 46 46 LYS CG C 13 25.4150 0.03 . 1 . . . . A 39 LYS CG . 30814 1 457 . 1 . 1 46 46 LYS CD C 13 29.2100 0.03 . 1 . . . . A 39 LYS CD . 30814 1 458 . 1 . 1 46 46 LYS CE C 13 41.8080 0.03 . 1 . . . . A 39 LYS CE . 30814 1 459 . 1 . 1 46 46 LYS N N 15 127.5950 0.03 . 1 . . . . A 39 LYS N . 30814 1 460 . 1 . 1 47 47 ASN H H 1 9.2420 0.02 . 1 . . . . A 40 ASN H . 30814 1 461 . 1 . 1 47 47 ASN HA H 1 3.8990 0.02 . 1 . . . . A 40 ASN HA . 30814 1 462 . 1 . 1 47 47 ASN HB2 H 1 2.5140 0.02 . 2 . . . . A 40 ASN HB3 . 30814 1 463 . 1 . 1 47 47 ASN HB3 H 1 2.9170 0.02 . 2 . . . . A 40 ASN HB3 . 30814 1 464 . 1 . 1 47 47 ASN HD21 H 1 7.2590 0.02 . 2 . . . . A 40 ASN HD21 . 30814 1 465 . 1 . 1 47 47 ASN HD22 H 1 6.6840 0.02 . 2 . . . . A 40 ASN HD22 . 30814 1 466 . 1 . 1 47 47 ASN CA C 13 53.6690 0.03 . 1 . . 21946 . A 40 ASN CA . 30814 1 467 . 1 . 1 47 47 ASN CB C 13 37.6093 0.03 . 1 . . 12723 . A 40 ASN CB . 30814 1 468 . 1 . 1 47 47 ASN N N 15 121.4700 0.03 . 1 . . . . A 40 ASN N . 30814 1 469 . 1 . 1 47 47 ASN ND2 N 15 109.2150 0.03 . 1 . . . . A 40 ASN ND2 . 30814 1 470 . 1 . 1 48 48 SER H H 1 9.1200 0.02 . 1 . . 15174 . A 41 SER H . 30814 1 471 . 1 . 1 48 48 SER HA H 1 4.7800 0.02 . 1 . . . . A 41 SER HA . 30814 1 472 . 1 . 1 48 48 SER HB2 H 1 3.1620 0.02 . 2 . . . . A 41 SER HB3 . 30814 1 473 . 1 . 1 48 48 SER HB3 H 1 3.6080 0.02 . 2 . . . . A 41 SER HB3 . 30814 1 474 . 1 . 1 48 48 SER CA C 13 57.8158 0.03 . 1 . . 14253 . A 41 SER CA . 30814 1 475 . 1 . 1 48 48 SER CB C 13 65.5690 0.03 . 1 . . 14250 . A 41 SER CB . 30814 1 476 . 1 . 1 48 48 SER N N 15 113.4180 0.03 . 1 . . 15175 . A 41 SER N . 30814 1 477 . 1 . 1 49 49 VAL H H 1 8.4090 0.02 . 1 . . 15056 . A 42 VAL H . 30814 1 478 . 1 . 1 49 49 VAL HA H 1 4.6130 0.02 . 1 . . . . A 42 VAL HA . 30814 1 479 . 1 . 1 49 49 VAL HB H 1 1.8180 0.02 . 1 . . . . A 42 VAL HB . 30814 1 480 . 1 . 1 49 49 VAL HG11 H 1 0.8790 0.02 . 2 . . . . A 42 VAL HG11 . 30814 1 481 . 1 . 1 49 49 VAL HG12 H 1 0.8790 0.02 . 2 . . . . A 42 VAL HG12 . 30814 1 482 . 1 . 1 49 49 VAL HG13 H 1 0.8790 0.02 . 2 . . . . A 42 VAL HG13 . 30814 1 483 . 1 . 1 49 49 VAL HG21 H 1 0.8150 0.02 . 2 . . . . A 42 VAL HG21 . 30814 1 484 . 1 . 1 49 49 VAL HG22 H 1 0.8150 0.02 . 2 . . . . A 42 VAL HG22 . 30814 1 485 . 1 . 1 49 49 VAL HG23 H 1 0.8150 0.02 . 2 . . . . A 42 VAL HG23 . 30814 1 486 . 1 . 1 49 49 VAL CA C 13 61.3460 0.03 . 1 . . 15057 . A 42 VAL CA . 30814 1 487 . 1 . 1 49 49 VAL CB C 13 31.8760 0.03 . 1 . . 20221 . A 42 VAL CB . 30814 1 488 . 1 . 1 49 49 VAL CG1 C 13 19.7870 0.03 . 2 . . . . A 42 VAL CG1 . 30814 1 489 . 1 . 1 49 49 VAL CG2 C 13 21.6480 0.03 . 2 . . . . A 42 VAL CG2 . 30814 1 490 . 1 . 1 49 49 VAL N N 15 122.5710 0.03 . 1 . . 15058 . A 42 VAL N . 30814 1 491 . 1 . 1 50 50 ASN H H 1 7.7640 0.02 . 1 . . 20208 . A 43 ASN H . 30814 1 492 . 1 . 1 50 50 ASN HA H 1 5.5850 0.02 . 1 . . . . A 43 ASN HA . 30814 1 493 . 1 . 1 50 50 ASN HB2 H 1 2.5030 0.02 . 2 . . . . A 43 ASN HB3 . 30814 1 494 . 1 . 1 50 50 ASN HB3 H 1 2.7730 0.02 . 2 . . . . A 43 ASN HB3 . 30814 1 495 . 1 . 1 50 50 ASN CA C 13 50.8050 0.03 . 1 . . 20215 . A 43 ASN CA . 30814 1 496 . 1 . 1 50 50 ASN CB C 13 40.6020 0.03 . 1 . . 20218 . A 43 ASN CB . 30814 1 497 . 1 . 1 50 50 ASN N N 15 117.5170 0.03 . 1 . . 20210 . A 43 ASN N . 30814 1 498 . 1 . 1 51 51 PRO HA H 1 3.6710 0.02 . 1 . . . . A 44 PRO HA . 30814 1 499 . 1 . 1 51 51 PRO HB2 H 1 2.1000 0.02 . 2 . . . . A 44 PRO HB3 . 30814 1 500 . 1 . 1 51 51 PRO HB3 H 1 0.0960 0.02 . 2 . . . . A 44 PRO HB3 . 30814 1 501 . 1 . 1 51 51 PRO HG2 H 1 1.8930 0.02 . 2 . . . . A 44 PRO HG3 . 30814 1 502 . 1 . 1 51 51 PRO HG3 H 1 2.0800 0.02 . 2 . . . . A 44 PRO HG3 . 30814 1 503 . 1 . 1 51 51 PRO HD3 H 1 3.6750 0.02 . 2 . . . . A 44 PRO HD3 . 30814 1 504 . 1 . 1 51 51 PRO CA C 13 63.0590 0.03 . 1 . . 19698 . A 44 PRO CA . 30814 1 505 . 1 . 1 51 51 PRO CB C 13 31.6400 0.03 . 1 . . 19701 . A 44 PRO CB . 30814 1 506 . 1 . 1 51 51 PRO CG C 13 27.4500 0.03 . 1 . . . . A 44 PRO CG . 30814 1 507 . 1 . 1 51 51 PRO CD C 13 50.3000 0.03 . 1 . . . . A 44 PRO CD . 30814 1 508 . 1 . 1 52 52 VAL H H 1 7.0480 0.02 . 1 . . 19697 . A 45 VAL H . 30814 1 509 . 1 . 1 52 52 VAL HA H 1 4.0940 0.02 . 1 . . . . A 45 VAL HA . 30814 1 510 . 1 . 1 52 52 VAL HB H 1 1.8800 0.02 . 1 . . . . A 45 VAL HB . 30814 1 511 . 1 . 1 52 52 VAL HG11 H 1 0.8810 0.02 . 2 . . . . A 45 VAL HG11 . 30814 1 512 . 1 . 1 52 52 VAL HG12 H 1 0.8810 0.02 . 2 . . . . A 45 VAL HG12 . 30814 1 513 . 1 . 1 52 52 VAL HG13 H 1 0.8810 0.02 . 2 . . . . A 45 VAL HG13 . 30814 1 514 . 1 . 1 52 52 VAL HG21 H 1 0.8080 0.02 . 2 . . . . A 45 VAL HG21 . 30814 1 515 . 1 . 1 52 52 VAL HG22 H 1 0.8080 0.02 . 2 . . . . A 45 VAL HG22 . 30814 1 516 . 1 . 1 52 52 VAL HG23 H 1 0.8080 0.02 . 2 . . . . A 45 VAL HG23 . 30814 1 517 . 1 . 1 52 52 VAL CA C 13 61.0520 0.03 . 1 . . 19707 . A 45 VAL CA . 30814 1 518 . 1 . 1 52 52 VAL CB C 13 33.0780 0.03 . 1 . . 13056 . A 45 VAL CB . 30814 1 519 . 1 . 1 52 52 VAL CG1 C 13 21.6410 0.03 . 2 . . . . A 45 VAL CG1 . 30814 1 520 . 1 . 1 52 52 VAL CG2 C 13 20.1100 0.03 . 2 . . . . A 45 VAL CG2 . 30814 1 521 . 1 . 1 52 52 VAL N N 15 119.1370 0.03 . 1 . . 19699 . A 45 VAL N . 30814 1 522 . 1 . 1 53 53 TRP H H 1 8.4120 0.02 . 1 . . 13055 . A 46 TRP H . 30814 1 523 . 1 . 1 53 53 TRP HA H 1 4.6910 0.02 . 1 . . . . A 46 TRP HA . 30814 1 524 . 1 . 1 53 53 TRP HB2 H 1 2.9860 0.02 . 2 . . . . A 46 TRP HB3 . 30814 1 525 . 1 . 1 53 53 TRP HB3 H 1 3.2570 0.02 . 2 . . . . A 46 TRP HB3 . 30814 1 526 . 1 . 1 53 53 TRP HD1 H 1 7.3570 0.02 . 1 . . . . A 46 TRP HD1 . 30814 1 527 . 1 . 1 53 53 TRP HE1 H 1 9.7090 0.02 . 1 . . . . A 46 TRP HE1 . 30814 1 528 . 1 . 1 53 53 TRP HE3 H 1 6.6460 0.02 . 1 . . . . A 46 TRP HE3 . 30814 1 529 . 1 . 1 53 53 TRP HZ2 H 1 6.7770 0.02 . 1 . . . . A 46 TRP HZ2 . 30814 1 530 . 1 . 1 53 53 TRP HZ3 H 1 7.1690 0.02 . 1 . . . . A 46 TRP HZ3 . 30814 1 531 . 1 . 1 53 53 TRP HH2 H 1 6.5160 0.02 . 1 . . . . A 46 TRP HH2 . 30814 1 532 . 1 . 1 53 53 TRP CA C 13 61.7940 0.03 . 1 . . 15054 . A 46 TRP CA . 30814 1 533 . 1 . 1 53 53 TRP CB C 13 29.4610 0.03 . 1 . . 13779 . A 46 TRP CB . 30814 1 534 . 1 . 1 53 53 TRP CD1 C 13 127.6700 0.03 . 1 . . . . A 46 TRP CD1 . 30814 1 535 . 1 . 1 53 53 TRP CZ2 C 13 112.8700 0.03 . 1 . . . . A 46 TRP CZ2 . 30814 1 536 . 1 . 1 53 53 TRP CZ3 C 13 120.2700 0.03 . 1 . . . . A 46 TRP CZ3 . 30814 1 537 . 1 . 1 53 53 TRP CH2 C 13 123.0300 0.03 . 1 . . . . A 46 TRP CH2 . 30814 1 538 . 1 . 1 53 53 TRP N N 15 124.4620 0.03 . 1 . . 13057 . A 46 TRP N . 30814 1 539 . 1 . 1 53 53 TRP NE1 N 15 130.8990 0.03 . 1 . . . . A 46 TRP NE1 . 30814 1 540 . 1 . 1 54 54 ASN H H 1 9.1290 0.02 . 1 . . 15170 . A 47 ASN H . 30814 1 541 . 1 . 1 54 54 ASN HA H 1 4.5170 0.02 . 1 . . . . A 47 ASN HA . 30814 1 542 . 1 . 1 54 54 ASN HB2 H 1 2.8650 0.02 . 2 . . . . A 47 ASN HB3 . 30814 1 543 . 1 . 1 54 54 ASN HB3 H 1 3.0710 0.02 . 2 . . . . A 47 ASN HB3 . 30814 1 544 . 1 . 1 54 54 ASN HD21 H 1 6.4590 0.02 . 2 . . . . A 47 ASN HD21 . 30814 1 545 . 1 . 1 54 54 ASN HD22 H 1 7.5090 0.02 . 2 . . . . A 47 ASN HD22 . 30814 1 546 . 1 . 1 54 54 ASN CA C 13 54.2400 0.03 . 1 . . 13329 . A 47 ASN CA . 30814 1 547 . 1 . 1 54 54 ASN CB C 13 37.7920 0.03 . 1 . . 13332 . A 47 ASN CB . 30814 1 548 . 1 . 1 54 54 ASN N N 15 119.7970 0.03 . 1 . . 15171 . A 47 ASN N . 30814 1 549 . 1 . 1 54 54 ASN ND2 N 15 110.7980 0.03 . 1 . . . . A 47 ASN ND2 . 30814 1 550 . 1 . 1 55 55 GLU H H 1 7.9600 0.02 . 1 . . 15342 . A 48 GLU H . 30814 1 551 . 1 . 1 55 55 GLU HA H 1 4.5510 0.02 . 1 . . . . A 48 GLU HA . 30814 1 552 . 1 . 1 55 55 GLU HB2 H 1 1.7560 0.02 . 2 . . . . A 48 GLU HB3 . 30814 1 553 . 1 . 1 55 55 GLU HB3 H 1 1.5620 0.02 . 2 . . . . A 48 GLU HB3 . 30814 1 554 . 1 . 1 55 55 GLU HG2 H 1 2.0520 0.02 . 2 . . . . A 48 GLU HG3 . 30814 1 555 . 1 . 1 55 55 GLU HG3 H 1 2.2350 0.02 . 2 . . . . A 48 GLU HG3 . 30814 1 556 . 1 . 1 55 55 GLU CA C 13 55.7320 0.03 . 1 . . 17166 . A 48 GLU CA . 30814 1 557 . 1 . 1 55 55 GLU CB C 13 35.4650 0.03 . 1 . . 14664 . A 48 GLU CB . 30814 1 558 . 1 . 1 55 55 GLU CG C 13 37.7940 0.03 . 1 . . . . A 48 GLU CG . 30814 1 559 . 1 . 1 55 55 GLU N N 15 117.7600 0.03 . 1 . . 15343 . A 48 GLU N . 30814 1 560 . 1 . 1 56 56 GLY H H 1 8.3770 0.02 . 1 . . 17159 . A 49 GLY H . 30814 1 561 . 1 . 1 56 56 GLY HA2 H 1 4.8650 0.02 . 2 . . . . A 49 GLY HA3 . 30814 1 562 . 1 . 1 56 56 GLY HA3 H 1 3.3700 0.02 . 2 . . . . A 49 GLY HA3 . 30814 1 563 . 1 . 1 56 56 GLY CA C 13 44.1780 0.03 . 1 . . 12861 . A 49 GLY CA . 30814 1 564 . 1 . 1 56 56 GLY N N 15 109.2000 0.03 . 1 . . 17161 . A 49 GLY N . 30814 1 565 . 1 . 1 57 57 PHE H H 1 8.8630 0.02 . 1 . . 15218 . A 50 PHE H . 30814 1 566 . 1 . 1 57 57 PHE HA H 1 4.7800 0.02 . 1 . . . . A 50 PHE HA . 30814 1 567 . 1 . 1 57 57 PHE HB2 H 1 2.4450 0.02 . 2 . . . . A 50 PHE HB3 . 30814 1 568 . 1 . 1 57 57 PHE HB3 H 1 2.5290 0.02 . 2 . . . . A 50 PHE HB3 . 30814 1 569 . 1 . 1 57 57 PHE HD1 H 1 6.9160 0.02 . 3 . . . . A 50 PHE HD1 . 30814 1 570 . 1 . 1 57 57 PHE HE1 H 1 7.0170 0.02 . 3 . . . . A 50 PHE HE1 . 30814 1 571 . 1 . 1 57 57 PHE CA C 13 54.8715 0.03 . 1 . . 15072 . A 50 PHE CA . 30814 1 572 . 1 . 1 57 57 PHE CB C 13 44.2240 0.03 . 1 . . . . A 50 PHE CB . 30814 1 573 . 1 . 1 57 57 PHE CD1 C 13 131.4900 0.03 . 3 . . . . A 50 PHE CD1 . 30814 1 574 . 1 . 1 57 57 PHE CE1 C 13 129.4200 0.03 . 3 . . . . A 50 PHE CE1 . 30814 1 575 . 1 . 1 57 57 PHE N N 15 118.7900 0.03 . 1 . . 15219 . A 50 PHE N . 30814 1 576 . 1 . 1 58 58 GLU H H 1 8.3220 0.02 . 1 . . 14324 . A 51 GLU H . 30814 1 577 . 1 . 1 58 58 GLU HA H 1 5.5480 0.02 . 1 . . . . A 51 GLU HA . 30814 1 578 . 1 . 1 58 58 GLU HB2 H 1 1.8800 0.02 . 2 . . . . A 51 GLU HB3 . 30814 1 579 . 1 . 1 58 58 GLU HB3 H 1 1.9970 0.02 . 2 . . . . A 51 GLU HB3 . 30814 1 580 . 1 . 1 58 58 GLU HG3 H 1 2.1310 0.02 . 2 . . . . A 51 GLU HG3 . 30814 1 581 . 1 . 1 58 58 GLU CA C 13 54.8400 0.03 . 1 . . 13659 . A 51 GLU CA . 30814 1 582 . 1 . 1 58 58 GLU CB C 13 33.3480 0.03 . 1 . . 13662 . A 51 GLU CB . 30814 1 583 . 1 . 1 58 58 GLU CG C 13 36.4740 0.03 . 1 . . . . A 51 GLU CG . 30814 1 584 . 1 . 1 58 58 GLU N N 15 119.1630 0.03 . 1 . . 14326 . A 51 GLU N . 30814 1 585 . 1 . 1 59 59 TRP H H 1 9.5960 0.02 . 1 . . 15140 . A 52 TRP H . 30814 1 586 . 1 . 1 59 59 TRP HA H 1 4.8050 0.02 . 1 . . . . A 52 TRP HA . 30814 1 587 . 1 . 1 59 59 TRP HB3 H 1 3.1560 0.02 . 2 . . . . A 52 TRP HB3 . 30814 1 588 . 1 . 1 59 59 TRP HD1 H 1 7.4340 0.02 . 1 . . . . A 52 TRP HD1 . 30814 1 589 . 1 . 1 59 59 TRP HE1 H 1 10.0490 0.02 . 1 . . . . A 52 TRP HE1 . 30814 1 590 . 1 . 1 59 59 TRP HE3 H 1 7.6000 0.02 . 1 . . . . A 52 TRP HE3 . 30814 1 591 . 1 . 1 59 59 TRP HZ2 H 1 7.2530 0.02 . 1 . . . . A 52 TRP HZ2 . 30814 1 592 . 1 . 1 59 59 TRP HZ3 H 1 6.7700 0.02 . 1 . . . . A 52 TRP HZ3 . 30814 1 593 . 1 . 1 59 59 TRP HH2 H 1 6.5920 0.02 . 1 . . . . A 52 TRP HH2 . 30814 1 594 . 1 . 1 59 59 TRP CA C 13 58.7176 0.03 . 1 . . 21971 . A 52 TRP CA . 30814 1 595 . 1 . 1 59 59 TRP CB C 13 33.0470 0.03 . 1 . . 14133 . A 52 TRP CB . 30814 1 596 . 1 . 1 59 59 TRP CD1 C 13 127.1200 0.03 . 1 . . . . A 52 TRP CD1 . 30814 1 597 . 1 . 1 59 59 TRP CE3 C 13 120.8800 0.03 . 1 . . . . A 52 TRP CE3 . 30814 1 598 . 1 . 1 59 59 TRP CZ2 C 13 114.2000 0.03 . 1 . . . . A 52 TRP CZ2 . 30814 1 599 . 1 . 1 59 59 TRP CZ3 C 13 121.1700 0.03 . 1 . . . . A 52 TRP CZ3 . 30814 1 600 . 1 . 1 59 59 TRP CH2 C 13 121.9100 0.03 . 1 . . . . A 52 TRP CH2 . 30814 1 601 . 1 . 1 59 59 TRP N N 15 123.4890 0.03 . 1 . . 15141 . A 52 TRP N . 30814 1 602 . 1 . 1 59 59 TRP NE1 N 15 128.8370 0.03 . 1 . . . . A 52 TRP NE1 . 30814 1 603 . 1 . 1 60 60 ASP H H 1 8.5720 0.02 . 1 . . 15250 . A 53 ASP H . 30814 1 604 . 1 . 1 60 60 ASP HA H 1 5.0610 0.02 . 1 . . . . A 53 ASP HA . 30814 1 605 . 1 . 1 60 60 ASP HB2 H 1 2.7080 0.02 . 2 . . . . A 53 ASP HB3 . 30814 1 606 . 1 . 1 60 60 ASP HB3 H 1 2.9260 0.02 . 2 . . . . A 53 ASP HB3 . 30814 1 607 . 1 . 1 60 60 ASP CA C 13 54.0790 0.03 . 1 . . 21980 . A 53 ASP CA . 30814 1 608 . 1 . 1 60 60 ASP CB C 13 41.8300 0.03 . 1 . . 13041 . A 53 ASP CB . 30814 1 609 . 1 . 1 60 60 ASP N N 15 123.4540 0.03 . 1 . . 15251 . A 53 ASP N . 30814 1 610 . 1 . 1 61 61 LEU H H 1 8.4250 0.02 . 1 . . 15272 . A 54 LEU H . 30814 1 611 . 1 . 1 61 61 LEU HA H 1 4.4990 0.02 . 1 . . . . A 54 LEU HA . 30814 1 612 . 1 . 1 61 61 LEU HB2 H 1 1.6940 0.02 . 2 . . . . A 54 LEU HB3 . 30814 1 613 . 1 . 1 61 61 LEU HB3 H 1 2.2000 0.02 . 2 . . . . A 54 LEU HB3 . 30814 1 614 . 1 . 1 61 61 LEU HG H 1 1.7030 0.02 . 1 . . . . A 54 LEU HG . 30814 1 615 . 1 . 1 61 61 LEU HD11 H 1 0.9270 0.02 . 2 . . . . A 54 LEU HD11 . 30814 1 616 . 1 . 1 61 61 LEU HD12 H 1 0.9270 0.02 . 2 . . . . A 54 LEU HD12 . 30814 1 617 . 1 . 1 61 61 LEU HD13 H 1 0.9270 0.02 . 2 . . . . A 54 LEU HD13 . 30814 1 618 . 1 . 1 61 61 LEU HD21 H 1 0.9900 0.02 . 2 . . . . A 54 LEU HD21 . 30814 1 619 . 1 . 1 61 61 LEU HD22 H 1 0.9900 0.02 . 2 . . . . A 54 LEU HD22 . 30814 1 620 . 1 . 1 61 61 LEU HD23 H 1 0.9900 0.02 . 2 . . . . A 54 LEU HD23 . 30814 1 621 . 1 . 1 61 61 LEU CA C 13 55.5000 0.03 . 1 . . 12792 . A 54 LEU CA . 30814 1 622 . 1 . 1 61 61 LEU CB C 13 40.1040 0.03 . 1 . . 14235 . A 54 LEU CB . 30814 1 623 . 1 . 1 61 61 LEU CG C 13 27.0820 0.03 . 1 . . . . A 54 LEU CG . 30814 1 624 . 1 . 1 61 61 LEU CD1 C 13 23.2270 0.03 . 2 . . . . A 54 LEU CD1 . 30814 1 625 . 1 . 1 61 61 LEU CD2 C 13 27.0620 0.03 . 2 . . . . A 54 LEU CD2 . 30814 1 626 . 1 . 1 61 61 LEU N N 15 126.3630 0.03 . 1 . . 15273 . A 54 LEU N . 30814 1 627 . 1 . 1 62 62 LYS H H 1 8.9670 0.02 . 1 . . 13892 . A 55 LYS H . 30814 1 628 . 1 . 1 62 62 LYS HA H 1 4.0210 0.02 . 1 . . . . A 55 LYS HA . 30814 1 629 . 1 . 1 62 62 LYS HB2 H 1 2.0090 0.02 . 2 . . . . A 55 LYS HB3 . 30814 1 630 . 1 . 1 62 62 LYS HB3 H 1 1.9200 0.02 . 2 . . . . A 55 LYS HB3 . 30814 1 631 . 1 . 1 62 62 LYS HG2 H 1 1.4390 0.02 . 2 . . . . A 55 LYS HG3 . 30814 1 632 . 1 . 1 62 62 LYS HG3 H 1 1.3610 0.02 . 2 . . . . A 55 LYS HG3 . 30814 1 633 . 1 . 1 62 62 LYS HD3 H 1 1.7280 0.02 . 2 . . . . A 55 LYS HD3 . 30814 1 634 . 1 . 1 62 62 LYS HE3 H 1 3.0480 0.02 . 2 . . . . A 55 LYS HE3 . 30814 1 635 . 1 . 1 62 62 LYS CA C 13 57.8730 0.03 . 1 . . 12759 . A 55 LYS CA . 30814 1 636 . 1 . 1 62 62 LYS CB C 13 30.4670 0.03 . 1 . . 13893 . A 55 LYS CB . 30814 1 637 . 1 . 1 62 62 LYS CG C 13 24.8150 0.03 . 1 . . . . A 55 LYS CG . 30814 1 638 . 1 . 1 62 62 LYS CD C 13 29.3360 0.03 . 1 . . . . A 55 LYS CD . 30814 1 639 . 1 . 1 62 62 LYS CE C 13 42.3220 0.03 . 1 . . . . A 55 LYS CE . 30814 1 640 . 1 . 1 62 62 LYS N N 15 119.0380 0.03 . 1 . . 13894 . A 55 LYS N . 30814 1 641 . 1 . 1 63 63 GLY H H 1 9.0420 0.02 . 1 . . 14996 . A 56 GLY H . 30814 1 642 . 1 . 1 63 63 GLY HA2 H 1 3.6170 0.02 . 2 . . . . A 56 GLY HA3 . 30814 1 643 . 1 . 1 63 63 GLY HA3 H 1 4.1330 0.02 . 2 . . . . A 56 GLY HA3 . 30814 1 644 . 1 . 1 63 63 GLY CA C 13 45.5810 0.03 . 1 . . 13848 . A 56 GLY CA . 30814 1 645 . 1 . 1 63 63 GLY N N 15 108.0040 0.03 . 1 . . 14998 . A 56 GLY N . 30814 1 646 . 1 . 1 64 64 ILE H H 1 7.7990 0.02 . 1 . . 15350 . A 57 ILE H . 30814 1 647 . 1 . 1 64 64 ILE HA H 1 4.5550 0.02 . 1 . . . . A 57 ILE HA . 30814 1 648 . 1 . 1 64 64 ILE HB H 1 2.0470 0.02 . 1 . . . . A 57 ILE HB . 30814 1 649 . 1 . 1 64 64 ILE HG12 H 1 1.4990 0.02 . 2 . . . . A 57 ILE HG13 . 30814 1 650 . 1 . 1 64 64 ILE HG13 H 1 1.1850 0.02 . 2 . . . . A 57 ILE HG13 . 30814 1 651 . 1 . 1 64 64 ILE HG21 H 1 0.9410 0.02 . 1 . . . . A 57 ILE HG21 . 30814 1 652 . 1 . 1 64 64 ILE HG22 H 1 0.9410 0.02 . 1 . . . . A 57 ILE HG22 . 30814 1 653 . 1 . 1 64 64 ILE HG23 H 1 0.9410 0.02 . 1 . . . . A 57 ILE HG23 . 30814 1 654 . 1 . 1 64 64 ILE HD11 H 1 0.8720 0.02 . 1 . . . . A 57 ILE HD11 . 30814 1 655 . 1 . 1 64 64 ILE HD12 H 1 0.8720 0.02 . 1 . . . . A 57 ILE HD12 . 30814 1 656 . 1 . 1 64 64 ILE HD13 H 1 0.8720 0.02 . 1 . . . . A 57 ILE HD13 . 30814 1 657 . 1 . 1 64 64 ILE CA C 13 57.5580 0.03 . 1 . . 14724 . A 57 ILE CA . 30814 1 658 . 1 . 1 64 64 ILE CB C 13 38.3210 0.03 . 1 . . 14730 . A 57 ILE CB . 30814 1 659 . 1 . 1 64 64 ILE CG1 C 13 26.8010 0.03 . 1 . . . . A 57 ILE CG1 . 30814 1 660 . 1 . 1 64 64 ILE CG2 C 13 16.9590 0.03 . 1 . . . . A 57 ILE CG2 . 30814 1 661 . 1 . 1 64 64 ILE CD1 C 13 12.0430 0.03 . 1 . . . . A 57 ILE CD1 . 30814 1 662 . 1 . 1 64 64 ILE N N 15 123.1530 0.03 . 1 . . 15351 . A 57 ILE N . 30814 1 663 . 1 . 1 65 65 PRO HA H 1 4.4300 0.02 . 1 . . . . A 58 PRO HA . 30814 1 664 . 1 . 1 65 65 PRO HB2 H 1 1.9680 0.02 . 2 . . . . A 58 PRO HB3 . 30814 1 665 . 1 . 1 65 65 PRO HB3 H 1 2.2890 0.02 . 2 . . . . A 58 PRO HB3 . 30814 1 666 . 1 . 1 65 65 PRO HG2 H 1 2.1850 0.02 . 2 . . . . A 58 PRO HG3 . 30814 1 667 . 1 . 1 65 65 PRO HG3 H 1 2.0110 0.02 . 2 . . . . A 58 PRO HG3 . 30814 1 668 . 1 . 1 65 65 PRO HD2 H 1 3.7300 0.02 . 2 . . . . A 58 PRO HD3 . 30814 1 669 . 1 . 1 65 65 PRO HD3 H 1 3.9200 0.02 . 2 . . . . A 58 PRO HD3 . 30814 1 670 . 1 . 1 65 65 PRO CA C 13 62.7270 0.03 . 1 . . 13524 . A 58 PRO CA . 30814 1 671 . 1 . 1 65 65 PRO CB C 13 32.2480 0.03 . 1 . . 13527 . A 58 PRO CB . 30814 1 672 . 1 . 1 65 65 PRO CG C 13 27.5970 0.03 . 1 . . . . A 58 PRO CG . 30814 1 673 . 1 . 1 65 65 PRO CD C 13 50.8600 0.03 . 1 . . . . A 58 PRO CD . 30814 1 674 . 1 . 1 66 66 LEU H H 1 7.1490 0.02 . 1 . . 15408 . A 59 LEU H . 30814 1 675 . 1 . 1 66 66 LEU HA H 1 4.2400 0.02 . 1 . . . . A 59 LEU HA . 30814 1 676 . 1 . 1 66 66 LEU HB2 H 1 0.9580 0.02 . 2 . . . . A 59 LEU HB3 . 30814 1 677 . 1 . 1 66 66 LEU HB3 H 1 1.1010 0.02 . 2 . . . . A 59 LEU HB3 . 30814 1 678 . 1 . 1 66 66 LEU HG H 1 1.2140 0.02 . 1 . . . . A 59 LEU HG . 30814 1 679 . 1 . 1 66 66 LEU HD11 H 1 0.3580 0.02 . 2 . . . . A 59 LEU HD11 . 30814 1 680 . 1 . 1 66 66 LEU HD12 H 1 0.3580 0.02 . 2 . . . . A 59 LEU HD12 . 30814 1 681 . 1 . 1 66 66 LEU HD13 H 1 0.3580 0.02 . 2 . . . . A 59 LEU HD13 . 30814 1 682 . 1 . 1 66 66 LEU HD21 H 1 0.4680 0.02 . 2 . . . . A 59 LEU HD21 . 30814 1 683 . 1 . 1 66 66 LEU HD22 H 1 0.4680 0.02 . 2 . . . . A 59 LEU HD22 . 30814 1 684 . 1 . 1 66 66 LEU HD23 H 1 0.4680 0.02 . 2 . . . . A 59 LEU HD23 . 30814 1 685 . 1 . 1 66 66 LEU CA C 13 54.7130 0.03 . 1 . . 14898 . A 59 LEU CA . 30814 1 686 . 1 . 1 66 66 LEU CB C 13 43.0490 0.03 . 1 . . 16579 . A 59 LEU CB . 30814 1 687 . 1 . 1 66 66 LEU CG C 13 26.8200 0.03 . 1 . . . . A 59 LEU CG . 30814 1 688 . 1 . 1 66 66 LEU CD1 C 13 24.9620 0.03 . 2 . . . . A 59 LEU CD1 . 30814 1 689 . 1 . 1 66 66 LEU CD2 C 13 24.1730 0.03 . 2 . . . . A 59 LEU CD2 . 30814 1 690 . 1 . 1 66 66 LEU N N 15 120.5800 0.03 . 1 . . 15409 . A 59 LEU N . 30814 1 691 . 1 . 1 67 67 ASP H H 1 8.6530 0.02 . 1 . . 16563 . A 60 ASP H . 30814 1 692 . 1 . 1 67 67 ASP HA H 1 4.6390 0.02 . 1 . . . . A 60 ASP HA . 30814 1 693 . 1 . 1 67 67 ASP HB2 H 1 2.8900 0.02 . 2 . . . . A 60 ASP HB3 . 30814 1 694 . 1 . 1 67 67 ASP HB3 H 1 2.6000 0.02 . 2 . . . . A 60 ASP HB3 . 30814 1 695 . 1 . 1 67 67 ASP CA C 13 53.0870 0.03 . 1 . . 16573 . A 60 ASP CA . 30814 1 696 . 1 . 1 67 67 ASP CB C 13 43.0560 0.03 . 1 . . 14145 . A 60 ASP CB . 30814 1 697 . 1 . 1 67 67 ASP N N 15 122.4390 0.03 . 1 . . 16565 . A 60 ASP N . 30814 1 698 . 1 . 1 68 68 GLN H H 1 8.5530 0.02 . 1 . . 15252 . A 61 GLN H . 30814 1 699 . 1 . 1 68 68 GLN HA H 1 3.8450 0.02 . 1 . . . . A 61 GLN HA . 30814 1 700 . 1 . 1 68 68 GLN HB2 H 1 2.4250 0.02 . 2 . . . . A 61 GLN HB3 . 30814 1 701 . 1 . 1 68 68 GLN HB3 H 1 2.1300 0.02 . 2 . . . . A 61 GLN HB3 . 30814 1 702 . 1 . 1 68 68 GLN HG3 H 1 2.4140 0.02 . 2 . . . . A 61 GLN HG3 . 30814 1 703 . 1 . 1 68 68 GLN HE21 H 1 7.6080 0.02 . 2 . . . . A 61 GLN HE21 . 30814 1 704 . 1 . 1 68 68 GLN HE22 H 1 6.9210 0.02 . 2 . . . . A 61 GLN HE22 . 30814 1 705 . 1 . 1 68 68 GLN CA C 13 58.4650 0.03 . 1 . . 14136 . A 61 GLN CA . 30814 1 706 . 1 . 1 68 68 GLN CB C 13 27.3360 0.03 . 1 . . 14148 . A 61 GLN CB . 30814 1 707 . 1 . 1 68 68 GLN CG C 13 33.7910 0.03 . 1 . . . . A 61 GLN CG . 30814 1 708 . 1 . 1 68 68 GLN N N 15 118.1180 0.03 . 1 . . 15253 . A 61 GLN N . 30814 1 709 . 1 . 1 68 68 GLN NE2 N 15 112.5470 0.03 . 1 . . . . A 61 GLN NE2 . 30814 1 710 . 1 . 1 69 69 GLY H H 1 8.9050 0.02 . 1 . . 12839 . A 62 GLY H . 30814 1 711 . 1 . 1 69 69 GLY HA2 H 1 3.6560 0.02 . 2 . . . . A 62 GLY HA3 . 30814 1 712 . 1 . 1 69 69 GLY HA3 H 1 4.2730 0.02 . 2 . . . . A 62 GLY HA3 . 30814 1 713 . 1 . 1 69 69 GLY CA C 13 44.8410 0.03 . 1 . . 20343 . A 62 GLY CA . 30814 1 714 . 1 . 1 69 69 GLY N N 15 107.9950 0.03 . 1 . . 12841 . A 62 GLY N . 30814 1 715 . 1 . 1 70 70 SER H H 1 7.7410 0.02 . 1 . . 20342 . A 63 SER H . 30814 1 716 . 1 . 1 70 70 SER HA H 1 4.4030 0.02 . 1 . . . . A 63 SER HA . 30814 1 717 . 1 . 1 70 70 SER HB2 H 1 3.8610 0.02 . 2 . . . . A 63 SER HB3 . 30814 1 718 . 1 . 1 70 70 SER HB3 H 1 3.9650 0.02 . 2 . . . . A 63 SER HB3 . 30814 1 719 . 1 . 1 70 70 SER CA C 13 60.4940 0.03 . 1 . . 16428 . A 63 SER CA . 30814 1 720 . 1 . 1 70 70 SER CB C 13 64.5270 0.03 . 1 . . 20346 . A 63 SER CB . 30814 1 721 . 1 . 1 70 70 SER N N 15 117.6090 0.03 . 1 . . 20344 . A 63 SER N . 30814 1 722 . 1 . 1 71 71 GLU H H 1 8.9160 0.02 . 1 . . 16412 . A 64 GLU H . 30814 1 723 . 1 . 1 71 71 GLU HA H 1 4.9930 0.02 . 1 . . . . A 64 GLU HA . 30814 1 724 . 1 . 1 71 71 GLU HB2 H 1 1.7580 0.02 . 2 . . . . A 64 GLU HB3 . 30814 1 725 . 1 . 1 71 71 GLU HB3 H 1 1.6900 0.02 . 2 . . . . A 64 GLU HB3 . 30814 1 726 . 1 . 1 71 71 GLU HG2 H 1 1.9480 0.02 . 2 . . . . A 64 GLU HG3 . 30814 1 727 . 1 . 1 71 71 GLU HG3 H 1 2.1340 0.02 . 2 . . . . A 64 GLU HG3 . 30814 1 728 . 1 . 1 71 71 GLU CA C 13 54.9970 0.03 . 1 . . 16419 . A 64 GLU CA . 30814 1 729 . 1 . 1 71 71 GLU CB C 13 34.1930 0.03 . 1 . . 16422 . A 64 GLU CB . 30814 1 730 . 1 . 1 71 71 GLU CG C 13 36.0360 0.03 . 1 . . . . A 64 GLU CG . 30814 1 731 . 1 . 1 71 71 GLU N N 15 122.9320 0.03 . 1 . . 16414 . A 64 GLU N . 30814 1 732 . 1 . 1 72 72 LEU H H 1 8.4340 0.02 . 1 . . 15266 . A 65 LEU H . 30814 1 733 . 1 . 1 72 72 LEU HA H 1 4.6980 0.02 . 1 . . . . A 65 LEU HA . 30814 1 734 . 1 . 1 72 72 LEU HB2 H 1 1.5800 0.02 . 2 . . . . A 65 LEU HB3 . 30814 1 735 . 1 . 1 72 72 LEU HB3 H 1 0.9910 0.02 . 2 . . . . A 65 LEU HB3 . 30814 1 736 . 1 . 1 72 72 LEU HG H 1 1.2360 0.02 . 1 . . . . A 65 LEU HG . 30814 1 737 . 1 . 1 72 72 LEU HD11 H 1 0.4940 0.02 . 2 . . . . A 65 LEU HD11 . 30814 1 738 . 1 . 1 72 72 LEU HD12 H 1 0.4940 0.02 . 2 . . . . A 65 LEU HD12 . 30814 1 739 . 1 . 1 72 72 LEU HD13 H 1 0.4940 0.02 . 2 . . . . A 65 LEU HD13 . 30814 1 740 . 1 . 1 72 72 LEU HD21 H 1 0.5020 0.02 . 2 . . . . A 65 LEU HD21 . 30814 1 741 . 1 . 1 72 72 LEU HD22 H 1 0.5020 0.02 . 2 . . . . A 65 LEU HD22 . 30814 1 742 . 1 . 1 72 72 LEU HD23 H 1 0.5020 0.02 . 2 . . . . A 65 LEU HD23 . 30814 1 743 . 1 . 1 72 72 LEU CA C 13 53.6740 0.03 . 1 . . 14310 . A 65 LEU CA . 30814 1 744 . 1 . 1 72 72 LEU CB C 13 45.6030 0.03 . 1 . . 14313 . A 65 LEU CB . 30814 1 745 . 1 . 1 72 72 LEU CG C 13 27.0530 0.03 . 1 . . . . A 65 LEU CG . 30814 1 746 . 1 . 1 72 72 LEU CD1 C 13 24.3300 0.03 . 2 . . . . A 65 LEU CD1 . 30814 1 747 . 1 . 1 72 72 LEU CD2 C 13 27.0280 0.03 . 2 . . . . A 65 LEU CD2 . 30814 1 748 . 1 . 1 72 72 LEU N N 15 123.0020 0.03 . 1 . . 15267 . A 65 LEU N . 30814 1 749 . 1 . 1 73 73 HIS H H 1 8.3480 0.02 . 1 . . 14312 . A 66 HIS H . 30814 1 750 . 1 . 1 73 73 HIS HA H 1 5.3690 0.02 . 1 . . . . A 66 HIS HA . 30814 1 751 . 1 . 1 73 73 HIS HB2 H 1 2.9420 0.02 . 2 . . . . A 66 HIS HB3 . 30814 1 752 . 1 . 1 73 73 HIS HB3 H 1 3.2630 0.02 . 2 . . . . A 66 HIS HB3 . 30814 1 753 . 1 . 1 73 73 HIS HD2 H 1 6.8520 0.02 . 1 . . . . A 66 HIS HD2 . 30814 1 754 . 1 . 1 73 73 HIS HE1 H 1 7.8900 0.02 . 1 . . . . A 66 HIS HE1 . 30814 1 755 . 1 . 1 73 73 HIS CA C 13 53.6800 0.03 . 1 . . 12717 . A 66 HIS CA . 30814 1 756 . 1 . 1 73 73 HIS CB C 13 33.3060 0.03 . 1 . . 14316 . A 66 HIS CB . 30814 1 757 . 1 . 1 73 73 HIS CD2 C 13 115.6600 0.03 . 1 . . . . A 66 HIS CD2 . 30814 1 758 . 1 . 1 73 73 HIS CE1 C 13 138.1200 0.03 . 1 . . . . A 66 HIS CE1 . 30814 1 759 . 1 . 1 73 73 HIS N N 15 127.7160 0.03 . 1 . . 14314 . A 66 HIS N . 30814 1 760 . 1 . 1 74 74 VAL H H 1 9.1220 0.02 . 1 . . 15172 . A 67 VAL H . 30814 1 761 . 1 . 1 74 74 VAL HA H 1 5.0510 0.02 . 1 . . . . A 67 VAL HA . 30814 1 762 . 1 . 1 74 74 VAL HB H 1 1.6720 0.02 . 1 . . . . A 67 VAL HB . 30814 1 763 . 1 . 1 74 74 VAL HG11 H 1 0.6590 0.02 . 2 . . . . A 67 VAL HG11 . 30814 1 764 . 1 . 1 74 74 VAL HG12 H 1 0.6590 0.02 . 2 . . . . A 67 VAL HG12 . 30814 1 765 . 1 . 1 74 74 VAL HG13 H 1 0.6590 0.02 . 2 . . . . A 67 VAL HG13 . 30814 1 766 . 1 . 1 74 74 VAL HG21 H 1 0.6240 0.02 . 2 . . . . A 67 VAL HG21 . 30814 1 767 . 1 . 1 74 74 VAL HG22 H 1 0.6240 0.02 . 2 . . . . A 67 VAL HG22 . 30814 1 768 . 1 . 1 74 74 VAL HG23 H 1 0.6240 0.02 . 2 . . . . A 67 VAL HG23 . 30814 1 769 . 1 . 1 74 74 VAL CA C 13 60.0250 0.03 . 1 . . 12864 . A 67 VAL CA . 30814 1 770 . 1 . 1 74 74 VAL CB C 13 34.2920 0.03 . 1 . . 13986 . A 67 VAL CB . 30814 1 771 . 1 . 1 74 74 VAL CG1 C 13 20.1080 0.03 . 2 . . . . A 67 VAL CG1 . 30814 1 772 . 1 . 1 74 74 VAL CG2 C 13 21.8970 0.03 . 2 . . . . A 67 VAL CG2 . 30814 1 773 . 1 . 1 74 74 VAL N N 15 124.1480 0.03 . 1 . . 15173 . A 67 VAL N . 30814 1 774 . 1 . 1 75 75 VAL H H 1 8.8620 0.02 . 1 . . 15222 . A 68 VAL H . 30814 1 775 . 1 . 1 75 75 VAL HA H 1 4.4650 0.02 . 1 . . . . A 68 VAL HA . 30814 1 776 . 1 . 1 75 75 VAL HB H 1 1.8360 0.02 . 1 . . . . A 68 VAL HB . 30814 1 777 . 1 . 1 75 75 VAL HG11 H 1 0.9260 0.02 . 2 . . . . A 68 VAL HG11 . 30814 1 778 . 1 . 1 75 75 VAL HG12 H 1 0.9260 0.02 . 2 . . . . A 68 VAL HG12 . 30814 1 779 . 1 . 1 75 75 VAL HG13 H 1 0.9260 0.02 . 2 . . . . A 68 VAL HG13 . 30814 1 780 . 1 . 1 75 75 VAL HG21 H 1 1.1600 0.02 . 2 . . . . A 68 VAL HG21 . 30814 1 781 . 1 . 1 75 75 VAL HG22 H 1 1.1600 0.02 . 2 . . . . A 68 VAL HG22 . 30814 1 782 . 1 . 1 75 75 VAL HG23 H 1 1.1600 0.02 . 2 . . . . A 68 VAL HG23 . 30814 1 783 . 1 . 1 75 75 VAL CA C 13 61.2410 0.03 . 1 . . 20064 . A 68 VAL CA . 30814 1 784 . 1 . 1 75 75 VAL CB C 13 34.9680 0.03 . 1 . . 20067 . A 68 VAL CB . 30814 1 785 . 1 . 1 75 75 VAL CG1 C 13 21.9610 0.03 . 2 . . . . A 68 VAL CG1 . 30814 1 786 . 1 . 1 75 75 VAL CG2 C 13 20.7750 0.03 . 2 . . . . A 68 VAL CG2 . 30814 1 787 . 1 . 1 75 75 VAL N N 15 124.8240 0.03 . 1 . . 15223 . A 68 VAL N . 30814 1 788 . 1 . 1 76 76 VAL H H 1 9.2360 0.02 . 1 . . 20063 . A 69 VAL H . 30814 1 789 . 1 . 1 76 76 VAL HA H 1 4.5430 0.02 . 1 . . . . A 69 VAL HA . 30814 1 790 . 1 . 1 76 76 VAL HB H 1 1.5920 0.02 . 1 . . . . A 69 VAL HB . 30814 1 791 . 1 . 1 76 76 VAL HG11 H 1 0.8000 0.02 . 2 . . . . A 69 VAL HG11 . 30814 1 792 . 1 . 1 76 76 VAL HG12 H 1 0.8000 0.02 . 2 . . . . A 69 VAL HG12 . 30814 1 793 . 1 . 1 76 76 VAL HG13 H 1 0.8000 0.02 . 2 . . . . A 69 VAL HG13 . 30814 1 794 . 1 . 1 76 76 VAL HG21 H 1 0.7869 0.02 . 2 . . . . A 69 VAL HG21 . 30814 1 795 . 1 . 1 76 76 VAL HG22 H 1 0.7869 0.02 . 2 . . . . A 69 VAL HG22 . 30814 1 796 . 1 . 1 76 76 VAL HG23 H 1 0.7869 0.02 . 2 . . . . A 69 VAL HG23 . 30814 1 797 . 1 . 1 76 76 VAL CA C 13 61.5100 0.03 . 1 . . 15078 . A 69 VAL CA . 30814 1 798 . 1 . 1 76 76 VAL CB C 13 32.1250 0.03 . 1 . . 13140 . A 69 VAL CB . 30814 1 799 . 1 . 1 76 76 VAL CG1 C 13 21.8320 0.03 . 2 . . . . A 69 VAL CG1 . 30814 1 800 . 1 . 1 76 76 VAL CG2 C 13 23.1500 0.03 . 2 . . . . A 69 VAL CG2 . 30814 1 801 . 1 . 1 76 76 VAL N N 15 128.3010 0.03 . 1 . . 20065 . A 69 VAL N . 30814 1 802 . 1 . 1 77 77 LYS H H 1 8.2690 0.02 . 1 . . 15077 . A 70 LYS H . 30814 1 803 . 1 . 1 77 77 LYS HA H 1 4.7600 0.02 . 1 . . . . A 70 LYS HA . 30814 1 804 . 1 . 1 77 77 LYS HB2 H 1 1.2320 0.02 . 2 . . . . A 70 LYS HB3 . 30814 1 805 . 1 . 1 77 77 LYS HB3 H 1 0.6070 0.02 . 2 . . . . A 70 LYS HB3 . 30814 1 806 . 1 . 1 77 77 LYS HD2 H 1 1.4170 0.02 . 2 . . . . A 70 LYS HD3 . 30814 1 807 . 1 . 1 77 77 LYS HD3 H 1 1.6010 0.02 . 2 . . . . A 70 LYS HD3 . 30814 1 808 . 1 . 1 77 77 LYS HE3 H 1 2.8140 0.02 . 2 . . . . A 70 LYS HE3 . 30814 1 809 . 1 . 1 77 77 LYS CA C 13 54.4499 0.03 . 1 . . 22364 . A 70 LYS CA . 30814 1 810 . 1 . 1 77 77 LYS CB C 13 37.2240 0.03 . 1 . . 22365 . A 70 LYS CB . 30814 1 811 . 1 . 1 77 77 LYS CD C 13 29.5420 0.03 . 1 . . . . A 70 LYS CD . 30814 1 812 . 1 . 1 77 77 LYS CE C 13 42.6950 0.03 . 1 . . . . A 70 LYS CE . 30814 1 813 . 1 . 1 77 77 LYS N N 15 125.9370 0.03 . 1 . . 15079 . A 70 LYS N . 30814 1 814 . 1 . 1 78 78 ASP H H 1 9.1720 0.02 . 1 . . . . A 71 ASP H . 30814 1 815 . 1 . 1 78 78 ASP HA H 1 4.9200 0.02 . 1 . . . . A 71 ASP HA . 30814 1 816 . 1 . 1 78 78 ASP HB3 H 1 2.5290 0.02 . 2 . . . . A 71 ASP HB3 . 30814 1 817 . 1 . 1 78 78 ASP CA C 13 51.9000 0.03 . 1 . . . . A 71 ASP CA . 30814 1 818 . 1 . 1 78 78 ASP CB C 13 44.2750 0.03 . 1 . . . . A 71 ASP CB . 30814 1 819 . 1 . 1 78 78 ASP N N 15 117.0320 0.03 . 1 . . . . A 71 ASP N . 30814 1 820 . 1 . 1 79 79 HIS H H 1 9.8890 0.02 . 1 . . . . A 72 HIS H . 30814 1 821 . 1 . 1 79 79 HIS HB2 H 1 3.1070 0.02 . 2 . . . . A 72 HIS HB3 . 30814 1 822 . 1 . 1 79 79 HIS HB3 H 1 3.2300 0.02 . 2 . . . . A 72 HIS HB3 . 30814 1 823 . 1 . 1 79 79 HIS HD2 H 1 7.2260 0.02 . 1 . . . . A 72 HIS HD2 . 30814 1 824 . 1 . 1 79 79 HIS HE1 H 1 7.6900 0.02 . 1 . . . . A 72 HIS HE1 . 30814 1 825 . 1 . 1 79 79 HIS CA C 13 54.9000 0.03 . 1 . . . . A 72 HIS CA . 30814 1 826 . 1 . 1 79 79 HIS CB C 13 32.5230 0.03 . 1 . . . . A 72 HIS CB . 30814 1 827 . 1 . 1 79 79 HIS CD2 C 13 131.1600 0.03 . 1 . . . . A 72 HIS CD2 . 30814 1 828 . 1 . 1 79 79 HIS CE1 C 13 138.4700 0.03 . 1 . . . . A 72 HIS CE1 . 30814 1 829 . 1 . 1 79 79 HIS N N 15 128.0700 0.03 . 1 . . . . A 72 HIS N . 30814 1 830 . 1 . 1 80 80 GLU HA H 1 4.7900 0.02 . 1 . . . . A 73 GLU HA . 30814 1 831 . 1 . 1 80 80 GLU HB3 H 1 1.9120 0.02 . 2 . . . . A 73 GLU HB3 . 30814 1 832 . 1 . 1 81 81 THR H H 1 8.0610 0.02 . 1 . . . . A 74 THR H . 30814 1 833 . 1 . 1 81 81 THR HA H 1 4.1180 0.02 . 1 . . . . A 74 THR HA . 30814 1 834 . 1 . 1 81 81 THR HB H 1 4.2620 0.02 . 1 . . . . A 74 THR HB . 30814 1 835 . 1 . 1 81 81 THR HG21 H 1 1.2710 0.02 . 1 . . . . A 74 THR HG21 . 30814 1 836 . 1 . 1 81 81 THR HG22 H 1 1.2710 0.02 . 1 . . . . A 74 THR HG22 . 30814 1 837 . 1 . 1 81 81 THR HG23 H 1 1.2710 0.02 . 1 . . . . A 74 THR HG23 . 30814 1 838 . 1 . 1 81 81 THR CA C 13 62.7020 0.03 . 1 . . 23137 . A 74 THR CA . 30814 1 839 . 1 . 1 81 81 THR CB C 13 69.4200 0.03 . 1 . . 23140 . A 74 THR CB . 30814 1 840 . 1 . 1 81 81 THR CG2 C 13 22.0980 0.03 . 1 . . . . A 74 THR CG2 . 30814 1 841 . 1 . 1 81 81 THR N N 15 111.8420 0.03 . 1 . . . . A 74 THR N . 30814 1 842 . 1 . 1 82 82 MET H H 1 8.3810 0.02 . 1 . . 23136 . A 75 MET H . 30814 1 843 . 1 . 1 82 82 MET HA H 1 4.3850 0.02 . 1 . . . . A 75 MET HA . 30814 1 844 . 1 . 1 82 82 MET HB2 H 1 2.2070 0.02 . 2 . . . . A 75 MET HB3 . 30814 1 845 . 1 . 1 82 82 MET HB3 H 1 2.0640 0.02 . 2 . . . . A 75 MET HB3 . 30814 1 846 . 1 . 1 82 82 MET HG2 H 1 2.5240 0.02 . 2 . . . . A 75 MET HG3 . 30814 1 847 . 1 . 1 82 82 MET HG3 H 1 2.5990 0.02 . 2 . . . . A 75 MET HG3 . 30814 1 848 . 1 . 1 82 82 MET HE1 H 1 2.0880 0.02 . 1 . . . . A 75 MET HE1 . 30814 1 849 . 1 . 1 82 82 MET HE2 H 1 2.0880 0.02 . 1 . . . . A 75 MET HE2 . 30814 1 850 . 1 . 1 82 82 MET HE3 H 1 2.0880 0.02 . 1 . . . . A 75 MET HE3 . 30814 1 851 . 1 . 1 82 82 MET CA C 13 55.7710 0.03 . 1 . . 22003 . A 75 MET CA . 30814 1 852 . 1 . 1 82 82 MET CB C 13 31.5670 0.03 . 1 . . 23146 . A 75 MET CB . 30814 1 853 . 1 . 1 82 82 MET CG C 13 32.4370 0.03 . 1 . . . . A 75 MET CG . 30814 1 854 . 1 . 1 82 82 MET CE C 13 16.7860 0.03 . 1 . . . . A 75 MET CE . 30814 1 855 . 1 . 1 82 82 MET N N 15 118.4480 0.03 . 1 . . 23138 . A 75 MET N . 30814 1 856 . 1 . 1 83 83 GLY H H 1 8.2190 0.02 . 1 . . 17910 . A 76 GLY H . 30814 1 857 . 1 . 1 83 83 GLY HA2 H 1 4.0200 0.02 . 2 . . . . A 76 GLY HA3 . 30814 1 858 . 1 . 1 83 83 GLY HA3 H 1 3.8890 0.02 . 2 . . . . A 76 GLY HA3 . 30814 1 859 . 1 . 1 83 83 GLY CA C 13 45.3670 0.03 . 1 . . 22002 . A 76 GLY CA . 30814 1 860 . 1 . 1 83 83 GLY N N 15 107.8380 0.03 . 1 . . 17912 . A 76 GLY N . 30814 1 861 . 1 . 1 84 84 ARG H H 1 7.5970 0.02 . 1 . . 18879 . A 77 ARG H . 30814 1 862 . 1 . 1 84 84 ARG HA H 1 4.4300 0.02 . 1 . . . . A 77 ARG HA . 30814 1 863 . 1 . 1 84 84 ARG HB2 H 1 1.7080 0.02 . 2 . . . . A 77 ARG HB3 . 30814 1 864 . 1 . 1 84 84 ARG HB3 H 1 1.8660 0.02 . 2 . . . . A 77 ARG HB3 . 30814 1 865 . 1 . 1 84 84 ARG HG3 H 1 1.6460 0.02 . 2 . . . . A 77 ARG HG3 . 30814 1 866 . 1 . 1 84 84 ARG HD3 H 1 3.2190 0.02 . 2 . . . . A 77 ARG HD3 . 30814 1 867 . 1 . 1 84 84 ARG CA C 13 55.4550 0.03 . 1 . . 13164 . A 77 ARG CA . 30814 1 868 . 1 . 1 84 84 ARG CB C 13 30.8640 0.03 . 1 . . 18886 . A 77 ARG CB . 30814 1 869 . 1 . 1 84 84 ARG CG C 13 27.2440 0.03 . 1 . . . . A 77 ARG CG . 30814 1 870 . 1 . 1 84 84 ARG CD C 13 43.5520 0.03 . 1 . . . . A 77 ARG CD . 30814 1 871 . 1 . 1 84 84 ARG N N 15 120.0290 0.03 . 1 . . 18881 . A 77 ARG N . 30814 1 872 . 1 . 1 85 85 ASN H H 1 8.2490 0.02 . 1 . . 15092 . A 78 ASN H . 30814 1 873 . 1 . 1 85 85 ASN HA H 1 4.9000 0.02 . 1 . . . . A 78 ASN HA . 30814 1 874 . 1 . 1 85 85 ASN HB2 H 1 2.8940 0.02 . 2 . . . . A 78 ASN HB3 . 30814 1 875 . 1 . 1 85 85 ASN HB3 H 1 2.7630 0.02 . 2 . . . . A 78 ASN HB3 . 30814 1 876 . 1 . 1 85 85 ASN HD21 H 1 6.8020 0.02 . 2 . . . . A 78 ASN HD21 . 30814 1 877 . 1 . 1 85 85 ASN HD22 H 1 7.6200 0.02 . 2 . . . . A 78 ASN HD22 . 30814 1 878 . 1 . 1 85 85 ASN CA C 13 53.7536 0.03 . 1 . . 14403 . A 78 ASN CA . 30814 1 879 . 1 . 1 85 85 ASN CB C 13 40.5740 0.03 . 1 . . 14397 . A 78 ASN CB . 30814 1 880 . 1 . 1 85 85 ASN N N 15 119.8310 0.03 . 1 . . 15094 . A 78 ASN N . 30814 1 881 . 1 . 1 85 85 ASN ND2 N 15 116.0740 0.03 . 1 . . . . A 78 ASN ND2 . 30814 1 882 . 1 . 1 86 86 ARG H H 1 8.8710 0.02 . 1 . . . . A 79 ARG H . 30814 1 883 . 1 . 1 86 86 ARG HA H 1 5.0540 0.02 . 1 . . . . A 79 ARG HA . 30814 1 884 . 1 . 1 86 86 ARG HB3 H 1 1.8810 0.02 . 2 . . . . A 79 ARG HB3 . 30814 1 885 . 1 . 1 86 86 ARG HG3 H 1 1.5150 0.02 . 2 . . . . A 79 ARG HG3 . 30814 1 886 . 1 . 1 86 86 ARG HD3 H 1 3.1930 0.02 . 2 . . . . A 79 ARG HD3 . 30814 1 887 . 1 . 1 86 86 ARG CA C 13 54.8250 0.03 . 1 . . . . A 79 ARG CA . 30814 1 888 . 1 . 1 86 86 ARG CB C 13 32.8380 0.03 . 1 . . . . A 79 ARG CB . 30814 1 889 . 1 . 1 86 86 ARG N N 15 116.8230 0.03 . 1 . . . . A 79 ARG N . 30814 1 890 . 1 . 1 87 87 PHE H H 1 8.9590 0.02 . 1 . . . . A 80 PHE H . 30814 1 891 . 1 . 1 87 87 PHE HA H 1 3.9360 0.02 . 1 . . . . A 80 PHE HA . 30814 1 892 . 1 . 1 87 87 PHE HB2 H 1 3.0160 0.02 . 2 . . . . A 80 PHE HB3 . 30814 1 893 . 1 . 1 87 87 PHE HB3 H 1 3.1790 0.02 . 2 . . . . A 80 PHE HB3 . 30814 1 894 . 1 . 1 87 87 PHE HD1 H 1 7.1120 0.02 . 3 . . . . A 80 PHE HD1 . 30814 1 895 . 1 . 1 87 87 PHE HE1 H 1 7.0600 0.02 . 3 . . . . A 80 PHE HE1 . 30814 1 896 . 1 . 1 87 87 PHE CA C 13 60.5000 0.03 . 1 . . . . A 80 PHE CA . 30814 1 897 . 1 . 1 87 87 PHE CB C 13 40.3890 0.03 . 1 . . . . A 80 PHE CB . 30814 1 898 . 1 . 1 87 87 PHE CD1 C 13 132.3100 0.03 . 3 . . . . A 80 PHE CD1 . 30814 1 899 . 1 . 1 87 87 PHE CE1 C 13 129.4200 0.03 . 3 . . . . A 80 PHE CE1 . 30814 1 900 . 1 . 1 87 87 PHE N N 15 125.2800 0.03 . 1 . . . . A 80 PHE N . 30814 1 901 . 1 . 1 88 88 LEU H H 1 8.1720 0.02 . 1 . . . . A 81 LEU H . 30814 1 902 . 1 . 1 88 88 LEU HA H 1 4.6550 0.02 . 1 . . . . A 81 LEU HA . 30814 1 903 . 1 . 1 88 88 LEU HB2 H 1 1.2860 0.02 . 2 . . . . A 81 LEU HB3 . 30814 1 904 . 1 . 1 88 88 LEU HB3 H 1 1.0890 0.02 . 2 . . . . A 81 LEU HB3 . 30814 1 905 . 1 . 1 88 88 LEU HG H 1 1.5190 0.02 . 1 . . . . A 81 LEU HG . 30814 1 906 . 1 . 1 88 88 LEU HD11 H 1 0.5500 0.02 . 2 . . . . A 81 LEU HD11 . 30814 1 907 . 1 . 1 88 88 LEU HD12 H 1 0.5500 0.02 . 2 . . . . A 81 LEU HD12 . 30814 1 908 . 1 . 1 88 88 LEU HD13 H 1 0.5500 0.02 . 2 . . . . A 81 LEU HD13 . 30814 1 909 . 1 . 1 88 88 LEU HD21 H 1 0.8200 0.02 . 2 . . . . A 81 LEU HD21 . 30814 1 910 . 1 . 1 88 88 LEU HD22 H 1 0.8200 0.02 . 2 . . . . A 81 LEU HD22 . 30814 1 911 . 1 . 1 88 88 LEU HD23 H 1 0.8200 0.02 . 2 . . . . A 81 LEU HD23 . 30814 1 912 . 1 . 1 88 88 LEU CA C 13 55.0880 0.03 . 1 . . 23973 . A 81 LEU CA . 30814 1 913 . 1 . 1 88 88 LEU CB C 13 42.8940 0.03 . 1 . . . . A 81 LEU CB . 30814 1 914 . 1 . 1 88 88 LEU CG C 13 26.6700 0.03 . 1 . . . . A 81 LEU CG . 30814 1 915 . 1 . 1 88 88 LEU CD1 C 13 25.8280 0.03 . 2 . . . . A 81 LEU CD1 . 30814 1 916 . 1 . 1 88 88 LEU CD2 C 13 22.3410 0.03 . 2 . . . . A 81 LEU CD2 . 30814 1 917 . 1 . 1 88 88 LEU N N 15 123.5830 0.03 . 1 . . . . A 81 LEU N . 30814 1 918 . 1 . 1 89 89 GLY H H 1 6.8490 0.02 . 1 . . 23972 . A 82 GLY H . 30814 1 919 . 1 . 1 89 89 GLY HA2 H 1 3.5030 0.02 . 2 . . . . A 82 GLY HA3 . 30814 1 920 . 1 . 1 89 89 GLY HA3 H 1 3.9120 0.02 . 2 . . . . A 82 GLY HA3 . 30814 1 921 . 1 . 1 89 89 GLY CA C 13 46.6580 0.03 . 1 . . 14940 . A 82 GLY CA . 30814 1 922 . 1 . 1 89 89 GLY N N 15 106.0800 0.03 . 1 . . 23974 . A 82 GLY N . 30814 1 923 . 1 . 1 90 90 GLU H H 1 9.6220 0.02 . 1 . . 15138 . A 83 GLU H . 30814 1 924 . 1 . 1 90 90 GLU HA H 1 5.4870 0.02 . 1 . . . . A 83 GLU HA . 30814 1 925 . 1 . 1 90 90 GLU HB2 H 1 2.3550 0.02 . 2 . . . . A 83 GLU HB3 . 30814 1 926 . 1 . 1 90 90 GLU HB3 H 1 2.3100 0.02 . 2 . . . . A 83 GLU HB3 . 30814 1 927 . 1 . 1 90 90 GLU HG2 H 1 2.3770 0.02 . 2 . . . . A 83 GLU HG3 . 30814 1 928 . 1 . 1 90 90 GLU HG3 H 1 2.2650 0.02 . 2 . . . . A 83 GLU HG3 . 30814 1 929 . 1 . 1 90 90 GLU CA C 13 54.2850 0.03 . 1 . . 13653 . A 83 GLU CA . 30814 1 930 . 1 . 1 90 90 GLU CB C 13 35.1980 0.03 . 1 . . 12660 . A 83 GLU CB . 30814 1 931 . 1 . 1 90 90 GLU CG C 13 34.7070 0.03 . 1 . . . . A 83 GLU CG . 30814 1 932 . 1 . 1 90 90 GLU N N 15 118.3340 0.03 . 1 . . 15139 . A 83 GLU N . 30814 1 933 . 1 . 1 91 91 ALA H H 1 9.2850 0.02 . 1 . . 15152 . A 84 ALA H . 30814 1 934 . 1 . 1 91 91 ALA HA H 1 4.8010 0.02 . 1 . . . . A 84 ALA HA . 30814 1 935 . 1 . 1 91 91 ALA HB1 H 1 1.1650 0.02 . 1 . . . . A 84 ALA HB1 . 30814 1 936 . 1 . 1 91 91 ALA HB2 H 1 1.1650 0.02 . 1 . . . . A 84 ALA HB2 . 30814 1 937 . 1 . 1 91 91 ALA HB3 H 1 1.1650 0.02 . 1 . . . . A 84 ALA HB3 . 30814 1 938 . 1 . 1 91 91 ALA CA C 13 51.4017 0.03 . 1 . . 13719 . A 84 ALA CA . 30814 1 939 . 1 . 1 91 91 ALA CB C 13 22.5590 0.03 . 1 . . 12891 . A 84 ALA CB . 30814 1 940 . 1 . 1 91 91 ALA N N 15 121.6060 0.03 . 1 . . 15153 . A 84 ALA N . 30814 1 941 . 1 . 1 92 92 LYS H H 1 8.7280 0.02 . 1 . . 12887 . A 85 LYS H . 30814 1 942 . 1 . 1 92 92 LYS HA H 1 4.9700 0.02 . 1 . . . . A 85 LYS HA . 30814 1 943 . 1 . 1 92 92 LYS HB2 H 1 1.3980 0.02 . 2 . . . . A 85 LYS HB3 . 30814 1 944 . 1 . 1 92 92 LYS HB3 H 1 1.5880 0.02 . 2 . . . . A 85 LYS HB3 . 30814 1 945 . 1 . 1 92 92 LYS HG2 H 1 0.9640 0.02 . 2 . . . . A 85 LYS HG3 . 30814 1 946 . 1 . 1 92 92 LYS HG3 H 1 1.2010 0.02 . 2 . . . . A 85 LYS HG3 . 30814 1 947 . 1 . 1 92 92 LYS HD2 H 1 1.4520 0.02 . 2 . . . . A 85 LYS HD3 . 30814 1 948 . 1 . 1 92 92 LYS HD3 H 1 1.3630 0.02 . 2 . . . . A 85 LYS HD3 . 30814 1 949 . 1 . 1 92 92 LYS HE2 H 1 2.3750 0.02 . 2 . . . . A 85 LYS HE3 . 30814 1 950 . 1 . 1 92 92 LYS HE3 H 1 2.2990 0.02 . 2 . . . . A 85 LYS HE3 . 30814 1 951 . 1 . 1 92 92 LYS CA C 13 54.1980 0.03 . 1 . . 14007 . A 85 LYS CA . 30814 1 952 . 1 . 1 92 92 LYS CB C 13 33.5720 0.03 . 1 . . 16291 . A 85 LYS CB . 30814 1 953 . 1 . 1 92 92 LYS CG C 13 24.9550 0.03 . 1 . . . . A 85 LYS CG . 30814 1 954 . 1 . 1 92 92 LYS CD C 13 28.8080 0.03 . 1 . . . . A 85 LYS CD . 30814 1 955 . 1 . 1 92 92 LYS CE C 13 41.6660 0.03 . 1 . . . . A 85 LYS CE . 30814 1 956 . 1 . 1 92 92 LYS N N 15 120.6170 0.03 . 1 . . 12889 . A 85 LYS N . 30814 1 957 . 1 . 1 93 93 VAL H H 1 9.0120 0.02 . 1 . . 16287 . A 86 VAL H . 30814 1 958 . 1 . 1 93 93 VAL HA H 1 4.2480 0.02 . 1 . . . . A 86 VAL HA . 30814 1 959 . 1 . 1 93 93 VAL HB H 1 1.6090 0.02 . 1 . . . . A 86 VAL HB . 30814 1 960 . 1 . 1 93 93 VAL HG11 H 1 -0.1140 0.02 . 2 . . . . A 86 VAL HG11 . 30814 1 961 . 1 . 1 93 93 VAL HG12 H 1 -0.1140 0.02 . 2 . . . . A 86 VAL HG12 . 30814 1 962 . 1 . 1 93 93 VAL HG13 H 1 -0.1140 0.02 . 2 . . . . A 86 VAL HG13 . 30814 1 963 . 1 . 1 93 93 VAL HG21 H 1 0.4580 0.02 . 2 . . . . A 86 VAL HG21 . 30814 1 964 . 1 . 1 93 93 VAL HG22 H 1 0.4580 0.02 . 2 . . . . A 86 VAL HG22 . 30814 1 965 . 1 . 1 93 93 VAL HG23 H 1 0.4580 0.02 . 2 . . . . A 86 VAL HG23 . 30814 1 966 . 1 . 1 93 93 VAL CA C 13 58.6540 0.03 . 1 . . 16297 . A 86 VAL CA . 30814 1 967 . 1 . 1 93 93 VAL CB C 13 33.5650 0.03 . 1 . . 16303 . A 86 VAL CB . 30814 1 968 . 1 . 1 93 93 VAL CG1 C 13 19.4630 0.03 . 2 . . . . A 86 VAL CG1 . 30814 1 969 . 1 . 1 93 93 VAL CG2 C 13 19.8900 0.03 . 2 . . . . A 86 VAL CG2 . 30814 1 970 . 1 . 1 93 93 VAL N N 15 125.3440 0.03 . 1 . . 16289 . A 86 VAL N . 30814 1 971 . 1 . 1 94 94 PRO HA H 1 4.5430 0.02 . 1 . . . . A 87 PRO HA . 30814 1 972 . 1 . 1 94 94 PRO HB3 H 1 2.1210 0.02 . 2 . . . . A 87 PRO HB3 . 30814 1 973 . 1 . 1 94 94 PRO HG3 H 1 1.9430 0.02 . 2 . . . . A 87 PRO HG3 . 30814 1 974 . 1 . 1 94 94 PRO HD2 H 1 3.8890 0.02 . 2 . . . . A 87 PRO HD3 . 30814 1 975 . 1 . 1 94 94 PRO HD3 H 1 3.6390 0.02 . 2 . . . . A 87 PRO HD3 . 30814 1 976 . 1 . 1 94 94 PRO CA C 13 62.3110 0.03 . 1 . . 18307 . A 87 PRO CA . 30814 1 977 . 1 . 1 94 94 PRO CB C 13 31.7420 0.03 . 1 . . 18310 . A 87 PRO CB . 30814 1 978 . 1 . 1 94 94 PRO CG C 13 27.3200 0.03 . 1 . . . . A 87 PRO CG . 30814 1 979 . 1 . 1 94 94 PRO CD C 13 51.1450 0.03 . 1 . . . . A 87 PRO CD . 30814 1 980 . 1 . 1 95 95 LEU H H 1 8.0570 0.02 . 1 . . 18306 . A 88 LEU H . 30814 1 981 . 1 . 1 95 95 LEU HA H 1 4.1030 0.02 . 1 . . . . A 88 LEU HA . 30814 1 982 . 1 . 1 95 95 LEU HB2 H 1 1.2550 0.02 . 2 . . . . A 88 LEU HB3 . 30814 1 983 . 1 . 1 95 95 LEU HB3 H 1 1.5780 0.02 . 2 . . . . A 88 LEU HB3 . 30814 1 984 . 1 . 1 95 95 LEU HG H 1 1.4900 0.02 . 1 . . . . A 88 LEU HG . 30814 1 985 . 1 . 1 95 95 LEU HD11 H 1 0.5180 0.02 . 2 . . . . A 88 LEU HD11 . 30814 1 986 . 1 . 1 95 95 LEU HD12 H 1 0.5180 0.02 . 2 . . . . A 88 LEU HD12 . 30814 1 987 . 1 . 1 95 95 LEU HD13 H 1 0.5180 0.02 . 2 . . . . A 88 LEU HD13 . 30814 1 988 . 1 . 1 95 95 LEU HD21 H 1 0.4920 0.02 . 2 . . . . A 88 LEU HD21 . 30814 1 989 . 1 . 1 95 95 LEU HD22 H 1 0.4920 0.02 . 2 . . . . A 88 LEU HD22 . 30814 1 990 . 1 . 1 95 95 LEU HD23 H 1 0.4920 0.02 . 2 . . . . A 88 LEU HD23 . 30814 1 991 . 1 . 1 95 95 LEU CA C 13 55.6940 0.03 . 1 . . 18316 . A 88 LEU CA . 30814 1 992 . 1 . 1 95 95 LEU CB C 13 40.1530 0.03 . 1 . . 16757 . A 88 LEU CB . 30814 1 993 . 1 . 1 95 95 LEU CG C 13 26.7580 0.03 . 1 . . . . A 88 LEU CG . 30814 1 994 . 1 . 1 95 95 LEU CD1 C 13 23.2710 0.03 . 2 . . . . A 88 LEU CD1 . 30814 1 995 . 1 . 1 95 95 LEU CD2 C 13 26.7060 0.03 . 2 . . . . A 88 LEU CD2 . 30814 1 996 . 1 . 1 95 95 LEU N N 15 123.4100 0.03 . 1 . . 18308 . A 88 LEU N . 30814 1 997 . 1 . 1 96 96 ARG H H 1 8.6380 0.02 . 1 . . 16744 . A 89 ARG H . 30814 1 998 . 1 . 1 96 96 ARG HA H 1 3.9400 0.02 . 1 . . . . A 89 ARG HA . 30814 1 999 . 1 . 1 96 96 ARG HB3 H 1 2.0960 0.02 . 2 . . . . A 89 ARG HB3 . 30814 1 1000 . 1 . 1 96 96 ARG HG3 H 1 1.6300 0.02 . 2 . . . . A 89 ARG HG3 . 30814 1 1001 . 1 . 1 96 96 ARG HD3 H 1 3.2860 0.02 . 2 . . . . A 89 ARG HD3 . 30814 1 1002 . 1 . 1 96 96 ARG CA C 13 59.7740 0.03 . 1 . . 17847 . A 89 ARG CA . 30814 1 1003 . 1 . 1 96 96 ARG CB C 13 29.1270 0.03 . 1 . . 17835 . A 89 ARG CB . 30814 1 1004 . 1 . 1 96 96 ARG CG C 13 26.8380 0.03 . 1 . . . . A 89 ARG CG . 30814 1 1005 . 1 . 1 96 96 ARG CD C 13 43.1640 0.03 . 1 . . . . A 89 ARG CD . 30814 1 1006 . 1 . 1 96 96 ARG N N 15 120.2190 0.03 . 1 . . 16746 . A 89 ARG N . 30814 1 1007 . 1 . 1 97 97 GLU H H 1 8.2190 0.02 . 1 . . 17831 . A 90 GLU H . 30814 1 1008 . 1 . 1 97 97 GLU HA H 1 4.1570 0.02 . 1 . . . . A 90 GLU HA . 30814 1 1009 . 1 . 1 97 97 GLU HB3 H 1 2.1400 0.02 . 2 . . . . A 90 GLU HB3 . 30814 1 1010 . 1 . 1 97 97 GLU HG2 H 1 2.4620 0.02 . 2 . . . . A 90 GLU HG3 . 30814 1 1011 . 1 . 1 97 97 GLU HG3 H 1 2.3340 0.02 . 2 . . . . A 90 GLU HG3 . 30814 1 1012 . 1 . 1 97 97 GLU CA C 13 59.1050 0.03 . 1 . . 21977 . A 90 GLU CA . 30814 1 1013 . 1 . 1 97 97 GLU CB C 13 29.5440 0.03 . 1 . . 19217 . A 90 GLU CB . 30814 1 1014 . 1 . 1 97 97 GLU CG C 13 36.9220 0.03 . 1 . . . . A 90 GLU CG . 30814 1 1015 . 1 . 1 97 97 GLU N N 15 117.8650 0.03 . 1 . . 17833 . A 90 GLU N . 30814 1 1016 . 1 . 1 98 98 VAL H H 1 7.5470 0.02 . 1 . . 19213 . A 91 VAL H . 30814 1 1017 . 1 . 1 98 98 VAL HA H 1 3.5410 0.02 . 1 . . . . A 91 VAL HA . 30814 1 1018 . 1 . 1 98 98 VAL HB H 1 2.2190 0.02 . 1 . . . . A 91 VAL HB . 30814 1 1019 . 1 . 1 98 98 VAL HG11 H 1 0.7600 0.02 . 2 . . . . A 91 VAL HG11 . 30814 1 1020 . 1 . 1 98 98 VAL HG12 H 1 0.7600 0.02 . 2 . . . . A 91 VAL HG12 . 30814 1 1021 . 1 . 1 98 98 VAL HG13 H 1 0.7600 0.02 . 2 . . . . A 91 VAL HG13 . 30814 1 1022 . 1 . 1 98 98 VAL HG21 H 1 1.0110 0.02 . 2 . . . . A 91 VAL HG21 . 30814 1 1023 . 1 . 1 98 98 VAL HG22 H 1 1.0110 0.02 . 2 . . . . A 91 VAL HG22 . 30814 1 1024 . 1 . 1 98 98 VAL HG23 H 1 1.0110 0.02 . 2 . . . . A 91 VAL HG23 . 30814 1 1025 . 1 . 1 98 98 VAL CA C 13 65.3870 0.03 . 1 . . 14907 . A 91 VAL CA . 30814 1 1026 . 1 . 1 98 98 VAL CB C 13 31.5460 0.03 . 1 . . 19226 . A 91 VAL CB . 30814 1 1027 . 1 . 1 98 98 VAL CG1 C 13 21.6730 0.03 . 2 . . . . A 91 VAL CG1 . 30814 1 1028 . 1 . 1 98 98 VAL CG2 C 13 22.7630 0.03 . 2 . . . . A 91 VAL CG2 . 30814 1 1029 . 1 . 1 98 98 VAL N N 15 117.5900 0.03 . 1 . . 19215 . A 91 VAL N . 30814 1 1030 . 1 . 1 99 99 LEU H H 1 7.1470 0.02 . 1 . . 15414 . A 92 LEU H . 30814 1 1031 . 1 . 1 99 99 LEU HA H 1 4.0890 0.02 . 1 . . . . A 92 LEU HA . 30814 1 1032 . 1 . 1 99 99 LEU HB2 H 1 1.6540 0.02 . 2 . . . . A 92 LEU HB3 . 30814 1 1033 . 1 . 1 99 99 LEU HB3 H 1 1.6050 0.02 . 2 . . . . A 92 LEU HB3 . 30814 1 1034 . 1 . 1 99 99 LEU HG H 1 1.4910 0.02 . 1 . . . . A 92 LEU HG . 30814 1 1035 . 1 . 1 99 99 LEU HD11 H 1 0.5930 0.02 . 2 . . . . A 92 LEU HD11 . 30814 1 1036 . 1 . 1 99 99 LEU HD12 H 1 0.5930 0.02 . 2 . . . . A 92 LEU HD12 . 30814 1 1037 . 1 . 1 99 99 LEU HD13 H 1 0.5930 0.02 . 2 . . . . A 92 LEU HD13 . 30814 1 1038 . 1 . 1 99 99 LEU HD21 H 1 0.6600 0.02 . 2 . . . . A 92 LEU HD21 . 30814 1 1039 . 1 . 1 99 99 LEU HD22 H 1 0.6600 0.02 . 2 . . . . A 92 LEU HD22 . 30814 1 1040 . 1 . 1 99 99 LEU HD23 H 1 0.6600 0.02 . 2 . . . . A 92 LEU HD23 . 30814 1 1041 . 1 . 1 99 99 LEU CA C 13 56.1220 0.03 . 1 . . 19545 . A 92 LEU CA . 30814 1 1042 . 1 . 1 99 99 LEU CB C 13 41.6440 0.03 . 1 . . 14913 . A 92 LEU CB . 30814 1 1043 . 1 . 1 99 99 LEU CG C 13 27.1270 0.03 . 1 . . . . A 92 LEU CG . 30814 1 1044 . 1 . 1 99 99 LEU CD1 C 13 24.8540 0.03 . 2 . . . . A 92 LEU CD1 . 30814 1 1045 . 1 . 1 99 99 LEU CD2 C 13 23.0890 0.03 . 2 . . . . A 92 LEU CD2 . 30814 1 1046 . 1 . 1 99 99 LEU N N 15 115.8360 0.03 . 1 . . 15415 . A 92 LEU N . 30814 1 1047 . 1 . 1 100 100 ALA H H 1 7.1980 0.02 . 1 . . 19544 . A 93 ALA H . 30814 1 1048 . 1 . 1 100 100 ALA HA H 1 4.3830 0.02 . 1 . . . . A 93 ALA HA . 30814 1 1049 . 1 . 1 100 100 ALA HB1 H 1 1.4960 0.02 . 1 . . . . A 93 ALA HB1 . 30814 1 1050 . 1 . 1 100 100 ALA HB2 H 1 1.4960 0.02 . 1 . . . . A 93 ALA HB2 . 30814 1 1051 . 1 . 1 100 100 ALA HB3 H 1 1.4960 0.02 . 1 . . . . A 93 ALA HB3 . 30814 1 1052 . 1 . 1 100 100 ALA CA C 13 52.7860 0.03 . 1 . . 19554 . A 93 ALA CA . 30814 1 1053 . 1 . 1 100 100 ALA CB C 13 19.4700 0.03 . 1 . . 19441 . A 93 ALA CB . 30814 1 1054 . 1 . 1 100 100 ALA N N 15 118.3350 0.03 . 1 . . 19546 . A 93 ALA N . 30814 1 1055 . 1 . 1 101 101 THR H H 1 7.3950 0.02 . 1 . . 19437 . A 94 THR H . 30814 1 1056 . 1 . 1 101 101 THR HA H 1 4.9620 0.02 . 1 . . . . A 94 THR HA . 30814 1 1057 . 1 . 1 101 101 THR HB H 1 4.4690 0.02 . 1 . . . . A 94 THR HB . 30814 1 1058 . 1 . 1 101 101 THR HG21 H 1 1.4690 0.02 . 1 . . . . A 94 THR HG21 . 30814 1 1059 . 1 . 1 101 101 THR HG22 H 1 1.4690 0.02 . 1 . . . . A 94 THR HG22 . 30814 1 1060 . 1 . 1 101 101 THR HG23 H 1 1.4690 0.02 . 1 . . . . A 94 THR HG23 . 30814 1 1061 . 1 . 1 101 101 THR CA C 13 58.8800 0.03 . 1 . . 19447 . A 94 THR CA . 30814 1 1062 . 1 . 1 101 101 THR CB C 13 70.3820 0.03 . 1 . . 19444 . A 94 THR CB . 30814 1 1063 . 1 . 1 101 101 THR CG2 C 13 21.6800 0.03 . 1 . . . . A 94 THR CG2 . 30814 1 1064 . 1 . 1 101 101 THR N N 15 111.4220 0.03 . 1 . . 19439 . A 94 THR N . 30814 1 1065 . 1 . 1 102 102 PRO HA H 1 4.4280 0.02 . 1 . . . . A 95 PRO HA . 30814 1 1066 . 1 . 1 102 102 PRO HB2 H 1 2.0290 0.02 . 2 . . . . A 95 PRO HB3 . 30814 1 1067 . 1 . 1 102 102 PRO HB3 H 1 2.4230 0.02 . 2 . . . . A 95 PRO HB3 . 30814 1 1068 . 1 . 1 102 102 PRO HG3 H 1 2.1390 0.02 . 2 . . . . A 95 PRO HG3 . 30814 1 1069 . 1 . 1 102 102 PRO HD3 H 1 3.9720 0.02 . 2 . . . . A 95 PRO HD3 . 30814 1 1070 . 1 . 1 102 102 PRO CA C 13 65.0500 0.03 . 1 . . 13347 . A 95 PRO CA . 30814 1 1071 . 1 . 1 102 102 PRO CB C 13 31.9890 0.03 . 1 . . 13371 . A 95 PRO CB . 30814 1 1072 . 1 . 1 102 102 PRO CG C 13 27.7800 0.03 . 1 . . . . A 95 PRO CG . 30814 1 1073 . 1 . 1 102 102 PRO CD C 13 51.0580 0.03 . 1 . . . . A 95 PRO CD . 30814 1 1074 . 1 . 1 103 103 SER H H 1 7.9320 0.02 . 1 . . 15346 . A 96 SER H . 30814 1 1075 . 1 . 1 103 103 SER HA H 1 4.3470 0.02 . 1 . . . . A 96 SER HA . 30814 1 1076 . 1 . 1 103 103 SER HB2 H 1 4.0660 0.02 . 2 . . . . A 96 SER HB3 . 30814 1 1077 . 1 . 1 103 103 SER HB3 H 1 3.8800 0.02 . 2 . . . . A 96 SER HB3 . 30814 1 1078 . 1 . 1 103 103 SER CA C 13 58.6210 0.03 . 1 . . 17367 . A 96 SER CA . 30814 1 1079 . 1 . 1 103 103 SER CB C 13 63.6680 0.03 . 1 . . 14670 . A 96 SER CB . 30814 1 1080 . 1 . 1 103 103 SER N N 15 109.8510 0.03 . 1 . . 15347 . A 96 SER N . 30814 1 1081 . 1 . 1 104 104 LEU H H 1 8.2770 0.02 . 1 . . 17351 . A 97 LEU H . 30814 1 1082 . 1 . 1 104 104 LEU HA H 1 4.3710 0.02 . 1 . . . . A 97 LEU HA . 30814 1 1083 . 1 . 1 104 104 LEU HB2 H 1 1.8550 0.02 . 2 . . . . A 97 LEU HB3 . 30814 1 1084 . 1 . 1 104 104 LEU HB3 H 1 2.2380 0.02 . 2 . . . . A 97 LEU HB3 . 30814 1 1085 . 1 . 1 104 104 LEU HG H 1 1.6390 0.02 . 1 . . . . A 97 LEU HG . 30814 1 1086 . 1 . 1 104 104 LEU HD11 H 1 1.1280 0.02 . 2 . . . . A 97 LEU HD11 . 30814 1 1087 . 1 . 1 104 104 LEU HD12 H 1 1.1280 0.02 . 2 . . . . A 97 LEU HD12 . 30814 1 1088 . 1 . 1 104 104 LEU HD13 H 1 1.1280 0.02 . 2 . . . . A 97 LEU HD13 . 30814 1 1089 . 1 . 1 104 104 LEU HD21 H 1 0.9440 0.02 . 2 . . . . A 97 LEU HD21 . 30814 1 1090 . 1 . 1 104 104 LEU HD22 H 1 0.9440 0.02 . 2 . . . . A 97 LEU HD22 . 30814 1 1091 . 1 . 1 104 104 LEU HD23 H 1 0.9440 0.02 . 2 . . . . A 97 LEU HD23 . 30814 1 1092 . 1 . 1 104 104 LEU CA C 13 55.4310 0.03 . 1 . . 17361 . A 97 LEU CA . 30814 1 1093 . 1 . 1 104 104 LEU CB C 13 40.0310 0.03 . 1 . . 17364 . A 97 LEU CB . 30814 1 1094 . 1 . 1 104 104 LEU CD1 C 13 24.3470 0.03 . 2 . . . . A 97 LEU CD1 . 30814 1 1095 . 1 . 1 104 104 LEU CD2 C 13 26.3060 0.03 . 2 . . . . A 97 LEU CD2 . 30814 1 1096 . 1 . 1 104 104 LEU N N 15 121.0960 0.03 . 1 . . 17353 . A 97 LEU N . 30814 1 1097 . 1 . 1 105 105 SER H H 1 7.5650 0.02 . 1 . . 19082 . A 98 SER H . 30814 1 1098 . 1 . 1 105 105 SER HA H 1 5.3830 0.02 . 1 . . . . A 98 SER HA . 30814 1 1099 . 1 . 1 105 105 SER HB2 H 1 3.6160 0.02 . 2 . . . . A 98 SER HB3 . 30814 1 1100 . 1 . 1 105 105 SER HB3 H 1 3.7270 0.02 . 2 . . . . A 98 SER HB3 . 30814 1 1101 . 1 . 1 105 105 SER CA C 13 56.6790 0.03 . 1 . . 19089 . A 98 SER CA . 30814 1 1102 . 1 . 1 105 105 SER CB C 13 65.3890 0.03 . 1 . . 12732 . A 98 SER CB . 30814 1 1103 . 1 . 1 105 105 SER N N 15 110.1050 0.03 . 1 . . 19084 . A 98 SER N . 30814 1 1104 . 1 . 1 106 106 ALA H H 1 9.0920 0.02 . 1 . . 15178 . A 99 ALA H . 30814 1 1105 . 1 . 1 106 106 ALA HA H 1 4.5860 0.02 . 1 . . . . A 99 ALA HA . 30814 1 1106 . 1 . 1 106 106 ALA HB1 H 1 1.0610 0.02 . 1 . . . . A 99 ALA HB1 . 30814 1 1107 . 1 . 1 106 106 ALA HB2 H 1 1.0610 0.02 . 1 . . . . A 99 ALA HB2 . 30814 1 1108 . 1 . 1 106 106 ALA HB3 H 1 1.0610 0.02 . 1 . . . . A 99 ALA HB3 . 30814 1 1109 . 1 . 1 106 106 ALA CA C 13 51.6920 0.03 . 1 . . 17960 . A 99 ALA CA . 30814 1 1110 . 1 . 1 106 106 ALA CB C 13 23.0680 0.03 . 1 . . 13821 . A 99 ALA CB . 30814 1 1111 . 1 . 1 106 106 ALA N N 15 125.1140 0.03 . 1 . . 15179 . A 99 ALA N . 30814 1 1112 . 1 . 1 107 107 SER H H 1 8.2110 0.02 . 1 . . 17959 . A 100 SER H . 30814 1 1113 . 1 . 1 107 107 SER HA H 1 5.1320 0.02 . 1 . . . . A 100 SER HA . 30814 1 1114 . 1 . 1 107 107 SER HB2 H 1 3.7780 0.02 . 2 . . . . A 100 SER HB3 . 30814 1 1115 . 1 . 1 107 107 SER HB3 H 1 3.6500 0.02 . 2 . . . . A 100 SER HB3 . 30814 1 1116 . 1 . 1 107 107 SER CA C 13 57.0090 0.03 . 1 . . 13761 . A 100 SER CA . 30814 1 1117 . 1 . 1 107 107 SER CB C 13 64.7890 0.03 . 1 . . 17966 . A 100 SER CB . 30814 1 1118 . 1 . 1 107 107 SER N N 15 115.4660 0.03 . 1 . . 17961 . A 100 SER N . 30814 1 1119 . 1 . 1 108 108 PHE H H 1 9.1630 0.02 . 1 . . 12704 . A 101 PHE H . 30814 1 1120 . 1 . 1 108 108 PHE HA H 1 4.7700 0.02 . 1 . . . . A 101 PHE HA . 30814 1 1121 . 1 . 1 108 108 PHE HB2 H 1 2.6710 0.02 . 2 . . . . A 101 PHE HB3 . 30814 1 1122 . 1 . 1 108 108 PHE HB3 H 1 2.9740 0.02 . 2 . . . . A 101 PHE HB3 . 30814 1 1123 . 1 . 1 108 108 PHE HD1 H 1 7.1380 0.02 . 3 . . . . A 101 PHE HD1 . 30814 1 1124 . 1 . 1 108 108 PHE HE1 H 1 6.9160 0.02 . 3 . . . . A 101 PHE HE1 . 30814 1 1125 . 1 . 1 108 108 PHE CA C 13 57.4215 0.03 . 1 . . 16786 . A 101 PHE CA . 30814 1 1126 . 1 . 1 108 108 PHE CB C 13 42.7800 0.03 . 1 . . 13770 . A 101 PHE CB . 30814 1 1127 . 1 . 1 108 108 PHE CD1 C 13 132.1000 0.03 . 3 . . . . A 101 PHE CD1 . 30814 1 1128 . 1 . 1 108 108 PHE CE1 C 13 130.5200 0.03 . 3 . . . . A 101 PHE CE1 . 30814 1 1129 . 1 . 1 108 108 PHE N N 15 120.8980 0.03 . 1 . . 12706 . A 101 PHE N . 30814 1 1130 . 1 . 1 109 109 ASN H H 1 8.6130 0.02 . 1 . . 16779 . A 102 ASN H . 30814 1 1131 . 1 . 1 109 109 ASN HA H 1 5.0950 0.02 . 1 . . . . A 102 ASN HA . 30814 1 1132 . 1 . 1 109 109 ASN HB2 H 1 2.8790 0.02 . 2 . . . . A 102 ASN HB3 . 30814 1 1133 . 1 . 1 109 109 ASN HB3 H 1 2.5660 0.02 . 2 . . . . A 102 ASN HB3 . 30814 1 1134 . 1 . 1 109 109 ASN HD21 H 1 7.2660 0.02 . 2 . . . . A 102 ASN HD21 . 30814 1 1135 . 1 . 1 109 109 ASN HD22 H 1 6.6800 0.02 . 2 . . . . A 102 ASN HD22 . 30814 1 1136 . 1 . 1 109 109 ASN CA C 13 52.0270 0.03 . 1 . . 12636 . A 102 ASN CA . 30814 1 1137 . 1 . 1 109 109 ASN CB C 13 38.4120 0.03 . 1 . . 13689 . A 102 ASN CB . 30814 1 1138 . 1 . 1 109 109 ASN N N 15 122.2750 0.03 . 1 . . 16781 . A 102 ASN N . 30814 1 1139 . 1 . 1 109 109 ASN ND2 N 15 109.8560 0.03 . 1 . . . . A 102 ASN ND2 . 30814 1 1140 . 1 . 1 110 110 ALA H H 1 9.4830 0.02 . 1 . . 12635 . A 103 ALA H . 30814 1 1141 . 1 . 1 110 110 ALA HA H 1 4.9210 0.02 . 1 . . . . A 103 ALA HA . 30814 1 1142 . 1 . 1 110 110 ALA HB1 H 1 1.1290 0.02 . 1 . . . . A 103 ALA HB1 . 30814 1 1143 . 1 . 1 110 110 ALA HB2 H 1 1.1290 0.02 . 1 . . . . A 103 ALA HB2 . 30814 1 1144 . 1 . 1 110 110 ALA HB3 H 1 1.1290 0.02 . 1 . . . . A 103 ALA HB3 . 30814 1 1145 . 1 . 1 110 110 ALA CA C 13 49.0260 0.03 . 1 . . 13683 . A 103 ALA CA . 30814 1 1146 . 1 . 1 110 110 ALA CB C 13 19.5380 0.03 . 1 . . 13686 . A 103 ALA CB . 30814 1 1147 . 1 . 1 110 110 ALA N N 15 128.7760 0.03 . 1 . . 12637 . A 103 ALA N . 30814 1 1148 . 1 . 1 111 111 PRO HA H 1 4.5980 0.02 . 1 . . . . A 104 PRO HA . 30814 1 1149 . 1 . 1 111 111 PRO HB2 H 1 2.3640 0.02 . 2 . . . . A 104 PRO HB3 . 30814 1 1150 . 1 . 1 111 111 PRO HB3 H 1 1.8760 0.02 . 2 . . . . A 104 PRO HB3 . 30814 1 1151 . 1 . 1 111 111 PRO HG3 H 1 2.0860 0.02 . 2 . . . . A 104 PRO HG3 . 30814 1 1152 . 1 . 1 111 111 PRO HD2 H 1 3.8110 0.02 . 2 . . . . A 104 PRO HD3 . 30814 1 1153 . 1 . 1 111 111 PRO HD3 H 1 4.1950 0.02 . 2 . . . . A 104 PRO HD3 . 30814 1 1154 . 1 . 1 111 111 PRO CA C 13 62.3580 0.03 . 1 . . 22352 . A 104 PRO CA . 30814 1 1155 . 1 . 1 111 111 PRO CB C 13 31.9200 0.03 . 1 . . 13314 . A 104 PRO CB . 30814 1 1156 . 1 . 1 111 111 PRO CG C 13 27.5700 0.03 . 1 . . . . A 104 PRO CG . 30814 1 1157 . 1 . 1 111 111 PRO CD C 13 50.9030 0.03 . 1 . . . . A 104 PRO CD . 30814 1 1158 . 1 . 1 112 112 LEU H H 1 7.9920 0.02 . 1 . . 15104 . A 105 LEU H . 30814 1 1159 . 1 . 1 112 112 LEU HA H 1 4.4860 0.02 . 1 . . . . A 105 LEU HA . 30814 1 1160 . 1 . 1 112 112 LEU HB2 H 1 1.7910 0.02 . 2 . . . . A 105 LEU HB3 . 30814 1 1161 . 1 . 1 112 112 LEU HB3 H 1 0.8970 0.02 . 2 . . . . A 105 LEU HB3 . 30814 1 1162 . 1 . 1 112 112 LEU HD11 H 1 0.6080 0.02 . 2 . . . . A 105 LEU HD11 . 30814 1 1163 . 1 . 1 112 112 LEU HD12 H 1 0.6080 0.02 . 2 . . . . A 105 LEU HD12 . 30814 1 1164 . 1 . 1 112 112 LEU HD13 H 1 0.6080 0.02 . 2 . . . . A 105 LEU HD13 . 30814 1 1165 . 1 . 1 112 112 LEU HD21 H 1 0.5170 0.02 . 2 . . . . A 105 LEU HD21 . 30814 1 1166 . 1 . 1 112 112 LEU HD22 H 1 0.5170 0.02 . 2 . . . . A 105 LEU HD22 . 30814 1 1167 . 1 . 1 112 112 LEU HD23 H 1 0.5170 0.02 . 2 . . . . A 105 LEU HD23 . 30814 1 1168 . 1 . 1 112 112 LEU CA C 13 54.1870 0.03 . 1 . . 12603 . A 105 LEU CA . 30814 1 1169 . 1 . 1 112 112 LEU CB C 13 41.8370 0.03 . 1 . . 14619 . A 105 LEU CB . 30814 1 1170 . 1 . 1 112 112 LEU CD1 C 13 25.1160 0.03 . 2 . . . . A 105 LEU CD1 . 30814 1 1171 . 1 . 1 112 112 LEU CD2 C 13 22.6100 0.03 . 2 . . . . A 105 LEU CD2 . 30814 1 1172 . 1 . 1 112 112 LEU N N 15 121.0340 0.03 . 1 . . 15106 . A 105 LEU N . 30814 1 1173 . 1 . 1 113 113 LEU H H 1 9.7660 0.02 . 1 . . 12605 . A 106 LEU H . 30814 1 1174 . 1 . 1 113 113 LEU HA H 1 5.1980 0.02 . 1 . . . . A 106 LEU HA . 30814 1 1175 . 1 . 1 113 113 LEU HB2 H 1 2.0380 0.02 . 2 . . . . A 106 LEU HB3 . 30814 1 1176 . 1 . 1 113 113 LEU HB3 H 1 1.2850 0.02 . 2 . . . . A 106 LEU HB3 . 30814 1 1177 . 1 . 1 113 113 LEU HG H 1 1.9220 0.02 . 1 . . . . A 106 LEU HG . 30814 1 1178 . 1 . 1 113 113 LEU HD11 H 1 0.9470 0.02 . 2 . . . . A 106 LEU HD11 . 30814 1 1179 . 1 . 1 113 113 LEU HD12 H 1 0.9470 0.02 . 2 . . . . A 106 LEU HD12 . 30814 1 1180 . 1 . 1 113 113 LEU HD13 H 1 0.9470 0.02 . 2 . . . . A 106 LEU HD13 . 30814 1 1181 . 1 . 1 113 113 LEU HD21 H 1 0.6720 0.02 . 2 . . . . A 106 LEU HD21 . 30814 1 1182 . 1 . 1 113 113 LEU HD22 H 1 0.6720 0.02 . 2 . . . . A 106 LEU HD22 . 30814 1 1183 . 1 . 1 113 113 LEU HD23 H 1 0.6720 0.02 . 2 . . . . A 106 LEU HD23 . 30814 1 1184 . 1 . 1 113 113 LEU CA C 13 53.1130 0.03 . 1 . . 12810 . A 106 LEU CA . 30814 1 1185 . 1 . 1 113 113 LEU CB C 13 45.0640 0.03 . 1 . . 14931 . A 106 LEU CB . 30814 1 1186 . 1 . 1 113 113 LEU CG C 13 26.9350 0.03 . 1 . . . . A 106 LEU CG . 30814 1 1187 . 1 . 1 113 113 LEU CD1 C 13 25.7130 0.03 . 2 . . . . A 106 LEU CD1 . 30814 1 1188 . 1 . 1 113 113 LEU CD2 C 13 21.8260 0.03 . 2 . . . . A 106 LEU CD2 . 30814 1 1189 . 1 . 1 113 113 LEU N N 15 123.7960 0.03 . 1 . . 12607 . A 106 LEU N . 30814 1 1190 . 1 . 1 114 114 ASP H H 1 8.9190 0.02 . 1 . . 13934 . A 107 ASP H . 30814 1 1191 . 1 . 1 114 114 ASP HA H 1 5.0050 0.02 . 1 . . . . A 107 ASP HA . 30814 1 1192 . 1 . 1 114 114 ASP HB2 H 1 3.6860 0.02 . 2 . . . . A 107 ASP HB3 . 30814 1 1193 . 1 . 1 114 114 ASP HB3 H 1 2.7510 0.02 . 2 . . . . A 107 ASP HB3 . 30814 1 1194 . 1 . 1 114 114 ASP CA C 13 52.4040 0.03 . 1 . . 14547 . A 107 ASP CA . 30814 1 1195 . 1 . 1 114 114 ASP CB C 13 41.0520 0.03 . 1 . . 13914 . A 107 ASP CB . 30814 1 1196 . 1 . 1 114 114 ASP N N 15 118.8740 0.03 . 1 . . 13936 . A 107 ASP N . 30814 1 1197 . 1 . 1 115 115 THR H H 1 8.1260 0.02 . 1 . . 13280 . A 108 THR H . 30814 1 1198 . 1 . 1 115 115 THR HA H 1 4.0730 0.02 . 1 . . . . A 108 THR HA . 30814 1 1199 . 1 . 1 115 115 THR HB H 1 4.2620 0.02 . 1 . . . . A 108 THR HB . 30814 1 1200 . 1 . 1 115 115 THR HG21 H 1 0.8100 0.02 . 1 . . . . A 108 THR HG21 . 30814 1 1201 . 1 . 1 115 115 THR HG22 H 1 0.8100 0.02 . 1 . . . . A 108 THR HG22 . 30814 1 1202 . 1 . 1 115 115 THR HG23 H 1 0.8100 0.02 . 1 . . . . A 108 THR HG23 . 30814 1 1203 . 1 . 1 115 115 THR CA C 13 64.7040 0.03 . 1 . . 14550 . A 108 THR CA . 30814 1 1204 . 1 . 1 115 115 THR CB C 13 68.8040 0.03 . 1 . . 17309 . A 108 THR CB . 30814 1 1205 . 1 . 1 115 115 THR CG2 C 13 21.6330 0.03 . 1 . . . . A 108 THR CG2 . 30814 1 1206 . 1 . 1 115 115 THR N N 15 108.9480 0.03 . 1 . . 13282 . A 108 THR N . 30814 1 1207 . 1 . 1 116 116 LYS H H 1 8.3180 0.02 . 1 . . 17308 . A 109 LYS H . 30814 1 1208 . 1 . 1 116 116 LYS HA H 1 4.4810 0.02 . 1 . . . . A 109 LYS HA . 30814 1 1209 . 1 . 1 116 116 LYS HB2 H 1 2.0730 0.02 . 2 . . . . A 109 LYS HB3 . 30814 1 1210 . 1 . 1 116 116 LYS HB3 H 1 1.8840 0.02 . 2 . . . . A 109 LYS HB3 . 30814 1 1211 . 1 . 1 116 116 LYS HG3 H 1 1.3790 0.02 . 2 . . . . A 109 LYS HG3 . 30814 1 1212 . 1 . 1 116 116 LYS HD3 H 1 1.6390 0.02 . 2 . . . . A 109 LYS HD3 . 30814 1 1213 . 1 . 1 116 116 LYS HE3 H 1 2.9520 0.02 . 2 . . . . A 109 LYS HE3 . 30814 1 1214 . 1 . 1 116 116 LYS CA C 13 55.5120 0.03 . 1 . . 17315 . A 109 LYS CA . 30814 1 1215 . 1 . 1 116 116 LYS CB C 13 31.6620 0.03 . 1 . . 17321 . A 109 LYS CB . 30814 1 1216 . 1 . 1 116 116 LYS CG C 13 25.2860 0.03 . 1 . . . . A 109 LYS CG . 30814 1 1217 . 1 . 1 116 116 LYS CD C 13 28.9150 0.03 . 1 . . . . A 109 LYS CD . 30814 1 1218 . 1 . 1 116 116 LYS CE C 13 42.3580 0.03 . 1 . . . . A 109 LYS CE . 30814 1 1219 . 1 . 1 116 116 LYS N N 15 122.0820 0.03 . 1 . . 17310 . A 109 LYS N . 30814 1 1220 . 1 . 1 117 117 LYS H H 1 8.1770 0.02 . 1 . . 18019 . A 110 LYS H . 30814 1 1221 . 1 . 1 117 117 LYS HA H 1 3.7260 0.02 . 1 . . . . A 110 LYS HA . 30814 1 1222 . 1 . 1 117 117 LYS HB2 H 1 2.0660 0.02 . 2 . . . . A 110 LYS HB3 . 30814 1 1223 . 1 . 1 117 117 LYS HB3 H 1 2.2450 0.02 . 2 . . . . A 110 LYS HB3 . 30814 1 1224 . 1 . 1 117 117 LYS HG2 H 1 1.3620 0.02 . 2 . . . . A 110 LYS HG3 . 30814 1 1225 . 1 . 1 117 117 LYS HG3 H 1 0.9410 0.02 . 2 . . . . A 110 LYS HG3 . 30814 1 1226 . 1 . 1 117 117 LYS HD3 H 1 1.6590 0.02 . 2 . . . . A 110 LYS HD3 . 30814 1 1227 . 1 . 1 117 117 LYS HE3 H 1 2.9800 0.02 . 2 . . . . A 110 LYS HE3 . 30814 1 1228 . 1 . 1 117 117 LYS CA C 13 58.0710 0.03 . 1 . . 16495 . A 110 LYS CA . 30814 1 1229 . 1 . 1 117 117 LYS CB C 13 28.7260 0.03 . 1 . . 18035 . A 110 LYS CB . 30814 1 1230 . 1 . 1 117 117 LYS CG C 13 25.5590 0.03 . 1 . . . . A 110 LYS CG . 30814 1 1231 . 1 . 1 117 117 LYS CD C 13 29.1350 0.03 . 1 . . . . A 110 LYS CD . 30814 1 1232 . 1 . 1 117 117 LYS CE C 13 42.3300 0.03 . 1 . . . . A 110 LYS CE . 30814 1 1233 . 1 . 1 117 117 LYS N N 15 112.8910 0.03 . 1 . . 18021 . A 110 LYS N . 30814 1 1234 . 1 . 1 118 118 GLN H H 1 8.6800 0.02 . 1 . . 16494 . A 111 GLN H . 30814 1 1235 . 1 . 1 118 118 GLN HA H 1 4.8510 0.02 . 1 . . . . A 111 GLN HA . 30814 1 1236 . 1 . 1 118 118 GLN HB2 H 1 2.0770 0.02 . 2 . . . . A 111 GLN HB3 . 30814 1 1237 . 1 . 1 118 118 GLN HB3 H 1 2.2620 0.02 . 2 . . . . A 111 GLN HB3 . 30814 1 1238 . 1 . 1 118 118 GLN HG2 H 1 2.4240 0.02 . 2 . . . . A 111 GLN HG3 . 30814 1 1239 . 1 . 1 118 118 GLN HG3 H 1 2.2810 0.02 . 2 . . . . A 111 GLN HG3 . 30814 1 1240 . 1 . 1 118 118 GLN HE21 H 1 7.7180 0.02 . 2 . . . . A 111 GLN HE21 . 30814 1 1241 . 1 . 1 118 118 GLN HE22 H 1 6.9600 0.02 . 2 . . . . A 111 GLN HE22 . 30814 1 1242 . 1 . 1 118 118 GLN CA C 13 52.3917 0.03 . 1 . . 16504 . A 111 GLN CA . 30814 1 1243 . 1 . 1 118 118 GLN CB C 13 28.5160 0.03 . 1 . . 16507 . A 111 GLN CB . 30814 1 1244 . 1 . 1 118 118 GLN CG C 13 33.8480 0.03 . 1 . . . . A 111 GLN CG . 30814 1 1245 . 1 . 1 118 118 GLN N N 15 119.6080 0.03 . 1 . . 16496 . A 111 GLN N . 30814 1 1246 . 1 . 1 118 118 GLN NE2 N 15 113.3320 0.03 . 1 . . . . A 111 GLN NE2 . 30814 1 1247 . 1 . 1 119 119 PRO HA H 1 4.8900 0.02 . 1 . . . . A 112 PRO HA . 30814 1 1248 . 1 . 1 119 119 PRO HB2 H 1 2.3510 0.02 . 2 . . . . A 112 PRO HB3 . 30814 1 1249 . 1 . 1 119 119 PRO HB3 H 1 2.0010 0.02 . 2 . . . . A 112 PRO HB3 . 30814 1 1250 . 1 . 1 119 119 PRO HG2 H 1 2.0200 0.02 . 2 . . . . A 112 PRO HG3 . 30814 1 1251 . 1 . 1 119 119 PRO HG3 H 1 2.2320 0.02 . 2 . . . . A 112 PRO HG3 . 30814 1 1252 . 1 . 1 119 119 PRO HD3 H 1 3.9270 0.02 . 2 . . . . A 112 PRO HD3 . 30814 1 1253 . 1 . 1 119 119 PRO CA C 13 63.3152 0.03 . 1 . . 12957 . A 112 PRO CA . 30814 1 1254 . 1 . 1 119 119 PRO CB C 13 31.9260 0.03 . 1 . . 12963 . A 112 PRO CB . 30814 1 1255 . 1 . 1 119 119 PRO CG C 13 27.8520 0.03 . 1 . . . . A 112 PRO CG . 30814 1 1256 . 1 . 1 119 119 PRO CD C 13 50.6670 0.03 . 1 . . . . A 112 PRO CD . 30814 1 1257 . 1 . 1 120 120 THR H H 1 8.5840 0.02 . 1 . . 12962 . A 113 THR H . 30814 1 1258 . 1 . 1 120 120 THR HA H 1 4.5380 0.02 . 1 . . . . A 113 THR HA . 30814 1 1259 . 1 . 1 120 120 THR HB H 1 4.5900 0.02 . 1 . . . . A 113 THR HB . 30814 1 1260 . 1 . 1 120 120 THR HG1 H 1 5.8800 0.02 . 1 . . . . A 113 THR HG1 . 30814 1 1261 . 1 . 1 120 120 THR HG21 H 1 1.4020 0.02 . 1 . . . . A 113 THR HG21 . 30814 1 1262 . 1 . 1 120 120 THR HG22 H 1 1.4020 0.02 . 1 . . . . A 113 THR HG22 . 30814 1 1263 . 1 . 1 120 120 THR HG23 H 1 1.4020 0.02 . 1 . . . . A 113 THR HG23 . 30814 1 1264 . 1 . 1 120 120 THR CA C 13 62.2960 0.03 . 1 . . 14106 . A 113 THR CA . 30814 1 1265 . 1 . 1 120 120 THR CB C 13 70.7040 0.03 . 1 . . 14100 . A 113 THR CB . 30814 1 1266 . 1 . 1 120 120 THR CG2 C 13 22.2330 0.03 . 1 . . . . A 113 THR CG2 . 30814 1 1267 . 1 . 1 120 120 THR N N 15 114.1030 0.03 . 1 . . 12964 . A 113 THR N . 30814 1 1268 . 1 . 1 121 121 GLY H H 1 9.0760 0.02 . 1 . . 15180 . A 114 GLY H . 30814 1 1269 . 1 . 1 121 121 GLY HA2 H 1 3.6990 0.02 . 2 . . . . A 114 GLY HA3 . 30814 1 1270 . 1 . 1 121 121 GLY HA3 H 1 4.6600 0.02 . 2 . . . . A 114 GLY HA3 . 30814 1 1271 . 1 . 1 121 121 GLY CA C 13 45.0400 0.03 . 1 . . 18441 . A 114 GLY CA . 30814 1 1272 . 1 . 1 121 121 GLY N N 15 111.9930 0.03 . 1 . . 15181 . A 114 GLY N . 30814 1 1273 . 1 . 1 122 122 ALA H H 1 8.0460 0.02 . 1 . . 18434 . A 115 ALA H . 30814 1 1274 . 1 . 1 122 122 ALA HA H 1 5.2410 0.02 . 1 . . . . A 115 ALA HA . 30814 1 1275 . 1 . 1 122 122 ALA HB1 H 1 1.3970 0.02 . 1 . . . . A 115 ALA HB1 . 30814 1 1276 . 1 . 1 122 122 ALA HB2 H 1 1.3970 0.02 . 1 . . . . A 115 ALA HB2 . 30814 1 1277 . 1 . 1 122 122 ALA HB3 H 1 1.3970 0.02 . 1 . . . . A 115 ALA HB3 . 30814 1 1278 . 1 . 1 122 122 ALA CA C 13 51.1940 0.03 . 1 . . 18444 . A 115 ALA CA . 30814 1 1279 . 1 . 1 122 122 ALA CB C 13 23.0460 0.03 . 1 . . 14193 . A 115 ALA CB . 30814 1 1280 . 1 . 1 122 122 ALA N N 15 124.6460 0.03 . 1 . . 18436 . A 115 ALA N . 30814 1 1281 . 1 . 1 123 123 SER H H 1 8.4560 0.02 . 1 . . 15262 . A 116 SER H . 30814 1 1282 . 1 . 1 123 123 SER HA H 1 5.1810 0.02 . 1 . . . . A 116 SER HA . 30814 1 1283 . 1 . 1 123 123 SER HB2 H 1 3.6550 0.02 . 2 . . . . A 116 SER HB3 . 30814 1 1284 . 1 . 1 123 123 SER HB3 H 1 3.7370 0.02 . 2 . . . . A 116 SER HB3 . 30814 1 1285 . 1 . 1 123 123 SER CA C 13 57.6780 0.03 . 1 . . 14187 . A 116 SER CA . 30814 1 1286 . 1 . 1 123 123 SER CB C 13 65.7570 0.03 . 1 . . 14181 . A 116 SER CB . 30814 1 1287 . 1 . 1 123 123 SER N N 15 115.7310 0.03 . 1 . . 15263 . A 116 SER N . 30814 1 1288 . 1 . 1 124 124 LEU H H 1 8.9100 0.02 . 1 . . 15202 . A 117 LEU H . 30814 1 1289 . 1 . 1 124 124 LEU HA H 1 4.9210 0.02 . 1 . . . . A 117 LEU HA . 30814 1 1290 . 1 . 1 124 124 LEU HB2 H 1 1.1170 0.02 . 2 . . . . A 117 LEU HB3 . 30814 1 1291 . 1 . 1 124 124 LEU HB3 H 1 1.7110 0.02 . 2 . . . . A 117 LEU HB3 . 30814 1 1292 . 1 . 1 124 124 LEU HG H 1 1.4100 0.02 . 1 . . . . A 117 LEU HG . 30814 1 1293 . 1 . 1 124 124 LEU HD11 H 1 0.9660 0.02 . 2 . . . . A 117 LEU HD11 . 30814 1 1294 . 1 . 1 124 124 LEU HD12 H 1 0.9660 0.02 . 2 . . . . A 117 LEU HD12 . 30814 1 1295 . 1 . 1 124 124 LEU HD13 H 1 0.9660 0.02 . 2 . . . . A 117 LEU HD13 . 30814 1 1296 . 1 . 1 124 124 LEU HD21 H 1 0.6850 0.02 . 2 . . . . A 117 LEU HD21 . 30814 1 1297 . 1 . 1 124 124 LEU HD22 H 1 0.6850 0.02 . 2 . . . . A 117 LEU HD22 . 30814 1 1298 . 1 . 1 124 124 LEU HD23 H 1 0.6850 0.02 . 2 . . . . A 117 LEU HD23 . 30814 1 1299 . 1 . 1 124 124 LEU CA C 13 53.8164 0.03 . 1 . . 12804 . A 117 LEU CA . 30814 1 1300 . 1 . 1 124 124 LEU CB C 13 47.6570 0.03 . 1 . . 13902 . A 117 LEU CB . 30814 1 1301 . 1 . 1 124 124 LEU CG C 13 27.5550 0.03 . 1 . . . . A 117 LEU CG . 30814 1 1302 . 1 . 1 124 124 LEU CD1 C 13 25.0700 0.03 . 2 . . . . A 117 LEU CD1 . 30814 1 1303 . 1 . 1 124 124 LEU CD2 C 13 27.5550 0.03 . 2 . . . . A 117 LEU CD2 . 30814 1 1304 . 1 . 1 124 124 LEU N N 15 123.8940 0.03 . 1 . . 15203 . A 117 LEU N . 30814 1 1305 . 1 . 1 125 125 VAL H H 1 8.9350 0.02 . 1 . . 22229 . A 118 VAL H . 30814 1 1306 . 1 . 1 125 125 VAL HA H 1 5.0840 0.02 . 1 . . . . A 118 VAL HA . 30814 1 1307 . 1 . 1 125 125 VAL HB H 1 0.8850 0.02 . 1 . . . . A 118 VAL HB . 30814 1 1308 . 1 . 1 125 125 VAL HG11 H 1 0.8160 0.02 . 2 . . . . A 118 VAL HG11 . 30814 1 1309 . 1 . 1 125 125 VAL HG12 H 1 0.8160 0.02 . 2 . . . . A 118 VAL HG12 . 30814 1 1310 . 1 . 1 125 125 VAL HG13 H 1 0.8160 0.02 . 2 . . . . A 118 VAL HG13 . 30814 1 1311 . 1 . 1 125 125 VAL HG21 H 1 0.6280 0.02 . 2 . . . . A 118 VAL HG21 . 30814 1 1312 . 1 . 1 125 125 VAL HG22 H 1 0.6280 0.02 . 2 . . . . A 118 VAL HG22 . 30814 1 1313 . 1 . 1 125 125 VAL HG23 H 1 0.6280 0.02 . 2 . . . . A 118 VAL HG23 . 30814 1 1314 . 1 . 1 125 125 VAL CA C 13 61.8190 0.03 . 1 . . 14025 . A 118 VAL CA . 30814 1 1315 . 1 . 1 125 125 VAL CB C 13 31.9300 0.03 . 1 . . 21981 . A 118 VAL CB . 30814 1 1316 . 1 . 1 125 125 VAL CG1 C 13 21.2830 0.03 . 2 . . . . A 118 VAL CG1 . 30814 1 1317 . 1 . 1 125 125 VAL CG2 C 13 21.9590 0.03 . 2 . . . . A 118 VAL CG2 . 30814 1 1318 . 1 . 1 125 125 VAL N N 15 127.1310 0.03 . 1 . . 22230 . A 118 VAL N . 30814 1 1319 . 1 . 1 126 126 LEU H H 1 8.7040 0.02 . 1 . . 15230 . A 119 LEU H . 30814 1 1320 . 1 . 1 126 126 LEU HA H 1 5.4250 0.02 . 1 . . . . A 119 LEU HA . 30814 1 1321 . 1 . 1 126 126 LEU HB2 H 1 1.7700 0.02 . 2 . . . . A 119 LEU HB3 . 30814 1 1322 . 1 . 1 126 126 LEU HB3 H 1 1.5840 0.02 . 2 . . . . A 119 LEU HB3 . 30814 1 1323 . 1 . 1 126 126 LEU HG H 1 1.7220 0.02 . 1 . . . . A 119 LEU HG . 30814 1 1324 . 1 . 1 126 126 LEU HD11 H 1 0.6080 0.02 . 2 . . . . A 119 LEU HD11 . 30814 1 1325 . 1 . 1 126 126 LEU HD12 H 1 0.6080 0.02 . 2 . . . . A 119 LEU HD12 . 30814 1 1326 . 1 . 1 126 126 LEU HD13 H 1 0.6080 0.02 . 2 . . . . A 119 LEU HD13 . 30814 1 1327 . 1 . 1 126 126 LEU HD21 H 1 0.7760 0.02 . 2 . . . . A 119 LEU HD21 . 30814 1 1328 . 1 . 1 126 126 LEU HD22 H 1 0.7760 0.02 . 2 . . . . A 119 LEU HD22 . 30814 1 1329 . 1 . 1 126 126 LEU HD23 H 1 0.7760 0.02 . 2 . . . . A 119 LEU HD23 . 30814 1 1330 . 1 . 1 126 126 LEU CA C 13 54.2980 0.03 . 1 . . 21963 . A 119 LEU CA . 30814 1 1331 . 1 . 1 126 126 LEU CB C 13 45.6110 0.03 . 1 . . 21962 . A 119 LEU CB . 30814 1 1332 . 1 . 1 126 126 LEU CG C 13 26.8550 0.03 . 1 . . . . A 119 LEU CG . 30814 1 1333 . 1 . 1 126 126 LEU CD1 C 13 27.6840 0.03 . 2 . . . . A 119 LEU CD1 . 30814 1 1334 . 1 . 1 126 126 LEU CD2 C 13 26.6890 0.03 . 2 . . . . A 119 LEU CD2 . 30814 1 1335 . 1 . 1 126 126 LEU N N 15 123.2440 0.03 . 1 . . 15231 . A 119 LEU N . 30814 1 1336 . 1 . 1 127 127 GLN H H 1 9.3620 0.02 . 1 . . 12650 . A 120 GLN H . 30814 1 1337 . 1 . 1 127 127 GLN HA H 1 5.3670 0.02 . 1 . . . . A 120 GLN HA . 30814 1 1338 . 1 . 1 127 127 GLN HB2 H 1 2.1990 0.02 . 2 . . . . A 120 GLN HB3 . 30814 1 1339 . 1 . 1 127 127 GLN HB3 H 1 2.1160 0.02 . 2 . . . . A 120 GLN HB3 . 30814 1 1340 . 1 . 1 127 127 GLN HG2 H 1 2.3830 0.02 . 2 . . . . A 120 GLN HG3 . 30814 1 1341 . 1 . 1 127 127 GLN HG3 H 1 2.2900 0.02 . 2 . . . . A 120 GLN HG3 . 30814 1 1342 . 1 . 1 127 127 GLN HE21 H 1 7.1590 0.02 . 2 . . . . A 120 GLN HE21 . 30814 1 1343 . 1 . 1 127 127 GLN HE22 H 1 6.6710 0.02 . 2 . . . . A 120 GLN HE22 . 30814 1 1344 . 1 . 1 127 127 GLN CA C 13 54.4290 0.03 . 1 . . 14943 . A 120 GLN CA . 30814 1 1345 . 1 . 1 127 127 GLN CB C 13 32.0540 0.03 . 1 . . 13710 . A 120 GLN CB . 30814 1 1346 . 1 . 1 127 127 GLN CG C 13 33.6150 0.03 . 1 . . . . A 120 GLN CG . 30814 1 1347 . 1 . 1 127 127 GLN N N 15 121.0460 0.03 . 1 . . 12652 . A 120 GLN N . 30814 1 1348 . 1 . 1 127 127 GLN NE2 N 15 110.2060 0.03 . 1 . . . . A 120 GLN NE2 . 30814 1 1349 . 1 . 1 128 128 VAL H H 1 9.2340 0.02 . 1 . . 15156 . A 121 VAL H . 30814 1 1350 . 1 . 1 128 128 VAL HA H 1 5.2360 0.02 . 1 . . . . A 121 VAL HA . 30814 1 1351 . 1 . 1 128 128 VAL HB H 1 2.0080 0.02 . 1 . . . . A 121 VAL HB . 30814 1 1352 . 1 . 1 128 128 VAL HG11 H 1 0.8980 0.02 . 2 . . . . A 121 VAL HG11 . 30814 1 1353 . 1 . 1 128 128 VAL HG12 H 1 0.8980 0.02 . 2 . . . . A 121 VAL HG12 . 30814 1 1354 . 1 . 1 128 128 VAL HG13 H 1 0.8980 0.02 . 2 . . . . A 121 VAL HG13 . 30814 1 1355 . 1 . 1 128 128 VAL HG21 H 1 0.9310 0.02 . 2 . . . . A 121 VAL HG21 . 30814 1 1356 . 1 . 1 128 128 VAL HG22 H 1 0.9310 0.02 . 2 . . . . A 121 VAL HG22 . 30814 1 1357 . 1 . 1 128 128 VAL HG23 H 1 0.9310 0.02 . 2 . . . . A 121 VAL HG23 . 30814 1 1358 . 1 . 1 128 128 VAL CA C 13 60.9910 0.03 . 1 . . 12630 . A 121 VAL CA . 30814 1 1359 . 1 . 1 128 128 VAL CB C 13 35.2890 0.03 . 1 . . 12633 . A 121 VAL CB . 30814 1 1360 . 1 . 1 128 128 VAL CG1 C 13 21.9670 0.03 . 2 . . . . A 121 VAL CG1 . 30814 1 1361 . 1 . 1 128 128 VAL CG2 C 13 22.8140 0.03 . 2 . . . . A 121 VAL CG2 . 30814 1 1362 . 1 . 1 128 128 VAL N N 15 124.5130 0.03 . 1 . . 15157 . A 121 VAL N . 30814 1 1363 . 1 . 1 129 129 SER H H 1 9.5060 0.02 . 1 . . 12632 . A 122 SER H . 30814 1 1364 . 1 . 1 129 129 SER HA H 1 5.4450 0.02 . 1 . . . . A 122 SER HA . 30814 1 1365 . 1 . 1 129 129 SER HB3 H 1 3.9230 0.02 . 2 . . . . A 122 SER HB3 . 30814 1 1366 . 1 . 1 129 129 SER CA C 13 57.2170 0.03 . 1 . . 13674 . A 122 SER CA . 30814 1 1367 . 1 . 1 129 129 SER CB C 13 66.3870 0.03 . 1 . . 13974 . A 122 SER CB . 30814 1 1368 . 1 . 1 129 129 SER N N 15 119.9930 0.03 . 1 . . 12634 . A 122 SER N . 30814 1 1369 . 1 . 1 130 130 TYR H H 1 8.8930 0.02 . 1 . . 15216 . A 123 TYR H . 30814 1 1370 . 1 . 1 130 130 TYR HA H 1 5.6450 0.02 . 1 . . . . A 123 TYR HA . 30814 1 1371 . 1 . 1 130 130 TYR HB2 H 1 2.7960 0.02 . 2 . . . . A 123 TYR HB3 . 30814 1 1372 . 1 . 1 130 130 TYR HB3 H 1 2.7610 0.02 . 2 . . . . A 123 TYR HB3 . 30814 1 1373 . 1 . 1 130 130 TYR HD1 H 1 6.9580 0.02 . 3 . . . . A 123 TYR HD1 . 30814 1 1374 . 1 . 1 130 130 TYR HE1 H 1 6.7570 0.02 . 3 . . . . A 123 TYR HE1 . 30814 1 1375 . 1 . 1 130 130 TYR CA C 13 54.1990 0.03 . 1 . . 12870 . A 123 TYR CA . 30814 1 1376 . 1 . 1 130 130 TYR CB C 13 42.7250 0.03 . 1 . . 13965 . A 123 TYR CB . 30814 1 1377 . 1 . 1 130 130 TYR CD1 C 13 132.8400 0.03 . 3 . . . . A 123 TYR CD1 . 30814 1 1378 . 1 . 1 130 130 TYR CE1 C 13 118.2200 0.03 . 3 . . . . A 123 TYR CE1 . 30814 1 1379 . 1 . 1 130 130 TYR N N 15 125.4000 0.03 . 1 . . 15217 . A 123 TYR N . 30814 1 1380 . 1 . 1 131 131 THR H H 1 8.7950 0.02 . 1 . . 13997 . A 124 THR H . 30814 1 1381 . 1 . 1 131 131 THR HA H 1 4.6350 0.02 . 1 . . . . A 124 THR HA . 30814 1 1382 . 1 . 1 131 131 THR HB H 1 3.9540 0.02 . 1 . . . . A 124 THR HB . 30814 1 1383 . 1 . 1 131 131 THR HG21 H 1 1.2000 0.02 . 1 . . . . A 124 THR HG21 . 30814 1 1384 . 1 . 1 131 131 THR HG22 H 1 1.2000 0.02 . 1 . . . . A 124 THR HG22 . 30814 1 1385 . 1 . 1 131 131 THR HG23 H 1 1.2000 0.02 . 1 . . . . A 124 THR HG23 . 30814 1 1386 . 1 . 1 131 131 THR CA C 13 58.5280 0.03 . 1 . . 13989 . A 124 THR CA . 30814 1 1387 . 1 . 1 131 131 THR CB C 13 70.6880 0.03 . 1 . . 13998 . A 124 THR CB . 30814 1 1388 . 1 . 1 131 131 THR CG2 C 13 21.4190 0.03 . 1 . . . . A 124 THR CG2 . 30814 1 1389 . 1 . 1 131 131 THR N N 15 124.9370 0.03 . 1 . . 13999 . A 124 THR N . 30814 1 1390 . 1 . 1 132 132 PRO HA H 1 4.1750 0.02 . 1 . . . . A 125 PRO HA . 30814 1 1391 . 1 . 1 132 132 PRO HB2 H 1 1.9950 0.02 . 2 . . . . A 125 PRO HB3 . 30814 1 1392 . 1 . 1 132 132 PRO HB3 H 1 1.8870 0.02 . 2 . . . . A 125 PRO HB3 . 30814 1 1393 . 1 . 1 132 132 PRO HG2 H 1 1.5960 0.02 . 2 . . . . A 125 PRO HG3 . 30814 1 1394 . 1 . 1 132 132 PRO HG3 H 1 1.7460 0.02 . 2 . . . . A 125 PRO HG3 . 30814 1 1395 . 1 . 1 132 132 PRO HD2 H 1 3.5790 0.02 . 2 . . . . A 125 PRO HD3 . 30814 1 1396 . 1 . 1 132 132 PRO HD3 H 1 3.1600 0.02 . 2 . . . . A 125 PRO HD3 . 30814 1 1397 . 1 . 1 132 132 PRO CA C 13 61.4490 0.03 . 1 . . . . A 125 PRO CA . 30814 1 1398 . 1 . 1 132 132 PRO CB C 13 32.3400 0.03 . 1 . . . . A 125 PRO CB . 30814 1 1399 . 1 . 1 132 132 PRO CG C 13 26.5530 0.03 . 1 . . . . A 125 PRO CG . 30814 1 1400 . 1 . 1 132 132 PRO CD C 13 50.9380 0.03 . 1 . . . . A 125 PRO CD . 30814 1 1401 . 1 . 1 133 133 LEU H H 1 8.1510 0.02 . 1 . . . . A 126 LEU H . 30814 1 1402 . 1 . 1 133 133 LEU HA H 1 4.3670 0.02 . 1 . . . . A 126 LEU HA . 30814 1 1403 . 1 . 1 133 133 LEU HB2 H 1 1.4550 0.02 . 2 . . . . A 126 LEU HB3 . 30814 1 1404 . 1 . 1 133 133 LEU HB3 H 1 1.5490 0.02 . 2 . . . . A 126 LEU HB3 . 30814 1 1405 . 1 . 1 133 133 LEU HD11 H 1 0.8760 0.02 . 2 . . . . A 126 LEU HD11 . 30814 1 1406 . 1 . 1 133 133 LEU HD12 H 1 0.8760 0.02 . 2 . . . . A 126 LEU HD12 . 30814 1 1407 . 1 . 1 133 133 LEU HD13 H 1 0.8760 0.02 . 2 . . . . A 126 LEU HD13 . 30814 1 1408 . 1 . 1 133 133 LEU HD21 H 1 0.8860 0.02 . 2 . . . . A 126 LEU HD21 . 30814 1 1409 . 1 . 1 133 133 LEU HD22 H 1 0.8860 0.02 . 2 . . . . A 126 LEU HD22 . 30814 1 1410 . 1 . 1 133 133 LEU HD23 H 1 0.8860 0.02 . 2 . . . . A 126 LEU HD23 . 30814 1 1411 . 1 . 1 133 133 LEU CA C 13 53.4920 0.03 . 1 . . . . A 126 LEU CA . 30814 1 1412 . 1 . 1 133 133 LEU CB C 13 41.6650 0.03 . 1 . . . . A 126 LEU CB . 30814 1 1413 . 1 . 1 133 133 LEU CD1 C 13 24.3440 0.03 . 2 . . . . A 126 LEU CD1 . 30814 1 1414 . 1 . 1 133 133 LEU CD2 C 13 25.0900 0.03 . 2 . . . . A 126 LEU CD2 . 30814 1 1415 . 1 . 1 133 133 LEU N N 15 121.6080 0.03 . 1 . . . . A 126 LEU N . 30814 1 1416 . 1 . 1 134 134 PRO HA H 1 4.3710 0.02 . 1 . . . . A 127 PRO HA . 30814 1 1417 . 1 . 1 134 134 PRO HB2 H 1 2.2880 0.02 . 2 . . . . A 127 PRO HB3 . 30814 1 1418 . 1 . 1 134 134 PRO HB3 H 1 1.9070 0.02 . 2 . . . . A 127 PRO HB3 . 30814 1 1419 . 1 . 1 134 134 PRO HG2 H 1 2.0080 0.02 . 2 . . . . A 127 PRO HG3 . 30814 1 1420 . 1 . 1 134 134 PRO HG3 H 1 2.0710 0.02 . 2 . . . . A 127 PRO HG3 . 30814 1 1421 . 1 . 1 134 134 PRO HD2 H 1 3.7400 0.02 . 2 . . . . A 127 PRO HD3 . 30814 1 1422 . 1 . 1 134 134 PRO HD3 H 1 3.6220 0.02 . 2 . . . . A 127 PRO HD3 . 30814 1 1423 . 1 . 1 134 134 PRO CA C 13 63.5590 0.03 . 1 . . 16952 . A 127 PRO CA . 30814 1 1424 . 1 . 1 134 134 PRO CB C 13 31.8690 0.03 . 1 . . . . A 127 PRO CB . 30814 1 1425 . 1 . 1 134 134 PRO CG C 13 27.5630 0.03 . 1 . . . . A 127 PRO CG . 30814 1 1426 . 1 . 1 134 134 PRO CD C 13 50.5800 0.03 . 1 . . . . A 127 PRO CD . 30814 1 1427 . 1 . 1 135 135 GLY H H 1 8.4550 0.02 . 1 . . 16951 . A 128 GLY H . 30814 1 1428 . 1 . 1 135 135 GLY HA3 H 1 3.9260 0.02 . 2 . . . . A 128 GLY HA3 . 30814 1 1429 . 1 . 1 135 135 GLY CA C 13 45.3500 0.03 . 1 . . 16961 . A 128 GLY CA . 30814 1 1430 . 1 . 1 135 135 GLY N N 15 109.8700 0.03 . 1 . . 16953 . A 128 GLY N . 30814 1 1431 . 1 . 1 136 136 ALA H H 1 7.9910 0.02 . 1 . . 15340 . A 129 ALA H . 30814 1 1432 . 1 . 1 136 136 ALA HA H 1 4.3360 0.02 . 1 . . . . A 129 ALA HA . 30814 1 1433 . 1 . 1 136 136 ALA HB1 H 1 1.3970 0.02 . 1 . . . . A 129 ALA HB1 . 30814 1 1434 . 1 . 1 136 136 ALA HB2 H 1 1.3970 0.02 . 1 . . . . A 129 ALA HB2 . 30814 1 1435 . 1 . 1 136 136 ALA HB3 H 1 1.3970 0.02 . 1 . . . . A 129 ALA HB3 . 30814 1 1436 . 1 . 1 136 136 ALA CA C 13 52.4810 0.03 . 1 . . 18005 . A 129 ALA CA . 30814 1 1437 . 1 . 1 136 136 ALA CB C 13 19.6930 0.03 . 1 . . 14643 . A 129 ALA CB . 30814 1 1438 . 1 . 1 136 136 ALA N N 15 123.6240 0.03 . 1 . . 15341 . A 129 ALA N . 30814 1 1439 . 1 . 1 137 137 VAL H H 1 8.1920 0.02 . 1 . . 17995 . A 130 VAL H . 30814 1 1440 . 1 . 1 137 137 VAL HA H 1 4.1180 0.02 . 1 . . . . A 130 VAL HA . 30814 1 1441 . 1 . 1 137 137 VAL HB H 1 2.0790 0.02 . 1 . . . . A 130 VAL HB . 30814 1 1442 . 1 . 1 137 137 VAL HG11 H 1 0.9450 0.02 . 2 . . . . A 130 VAL HG11 . 30814 1 1443 . 1 . 1 137 137 VAL HG12 H 1 0.9450 0.02 . 2 . . . . A 130 VAL HG12 . 30814 1 1444 . 1 . 1 137 137 VAL HG13 H 1 0.9450 0.02 . 2 . . . . A 130 VAL HG13 . 30814 1 1445 . 1 . 1 137 137 VAL HG21 H 1 0.9480 0.02 . 2 . . . . A 130 VAL HG21 . 30814 1 1446 . 1 . 1 137 137 VAL HG22 H 1 0.9480 0.02 . 2 . . . . A 130 VAL HG22 . 30814 1 1447 . 1 . 1 137 137 VAL HG23 H 1 0.9480 0.02 . 2 . . . . A 130 VAL HG23 . 30814 1 1448 . 1 . 1 137 137 VAL CA C 13 62.4120 0.03 . 1 . . 18002 . A 130 VAL CA . 30814 1 1449 . 1 . 1 137 137 VAL CB C 13 32.8660 0.03 . 1 . . 18655 . A 130 VAL CB . 30814 1 1450 . 1 . 1 137 137 VAL CG1 C 13 20.6580 0.03 . 2 . . . . A 130 VAL CG1 . 30814 1 1451 . 1 . 1 137 137 VAL CG2 C 13 21.1260 0.03 . 2 . . . . A 130 VAL CG2 . 30814 1 1452 . 1 . 1 137 137 VAL N N 15 120.2000 0.03 . 1 . . 17997 . A 130 VAL N . 30814 1 1453 . 1 . 1 138 138 LEU H H 1 7.9410 0.02 . 1 . . 18651 . A 131 LEU H . 30814 1 1454 . 1 . 1 138 138 LEU HA H 1 4.2260 0.02 . 1 . . . . A 131 LEU HA . 30814 1 1455 . 1 . 1 138 138 LEU HB3 H 1 1.5920 0.02 . 2 . . . . A 131 LEU HB3 . 30814 1 1456 . 1 . 1 138 138 LEU HG H 1 1.0120 0.02 . 1 . . . . A 131 LEU HG . 30814 1 1457 . 1 . 1 138 138 LEU HD11 H 1 0.8850 0.02 . 2 . . . . A 131 LEU HD11 . 30814 1 1458 . 1 . 1 138 138 LEU HD12 H 1 0.8850 0.02 . 2 . . . . A 131 LEU HD12 . 30814 1 1459 . 1 . 1 138 138 LEU HD13 H 1 0.8850 0.02 . 2 . . . . A 131 LEU HD13 . 30814 1 1460 . 1 . 1 138 138 LEU CA C 13 56.6880 0.03 . 1 . . 18661 . A 131 LEU CA . 30814 1 1461 . 1 . 1 138 138 LEU CB C 13 43.5100 0.03 . 1 . . 18664 . A 131 LEU CB . 30814 1 1462 . 1 . 1 138 138 LEU CG C 13 25.6960 0.03 . 1 . . . . A 131 LEU CG . 30814 1 1463 . 1 . 1 138 138 LEU CD1 C 13 24.0720 0.03 . 2 . . . . A 131 LEU CD1 . 30814 1 1464 . 1 . 1 138 138 LEU N N 15 132.2200 0.03 . 1 . . 18653 . A 131 LEU N . 30814 1 stop_ save_