data_30812 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30812 _Entry.Title ; Solution NMR structure of CDHR3 extracellular domain EC1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-11-06 _Entry.Accession_date 2020-11-06 _Entry.Last_release_date 2020-12-09 _Entry.Original_release_date 2020-12-09 _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 W. Lee W. . . . 30812 2 M. Tonelli M. . . . 30812 3 R. Frederick R. O. . . 30812 4 K. Watters K. E. . . 30812 5 J. Markley J. L. . . 30812 6 A. Palmenberg A. C. . . 30812 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CELL ADHESION' . 30812 receptor . 30812 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30812 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 493 30812 '15N chemical shifts' 113 30812 '1H chemical shifts' 797 30812 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 . . 2021-01-26 . original BMRB . 30812 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7KNV 'BMRB Entry Tracking System' 30812 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30812 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.3390/v13020159 _Citation.Full_citation . _Citation.Title ; Solution NMR Determination of the CDHR3 Rhinovirus-C Binding Domain, EC1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Viruses _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 2 _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 159 _Citation.Page_last 159 _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 W. Lee W. . . . 30812 1 2 R. Frederick R. O. . . 30812 1 3 M. Tonelli M. . . . 30812 1 4 A. Palmenberg A. C. . . 30812 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30812 _Assembly.ID 1 _Assembly.Name 'Cadherin-related family member 3' _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 . . . . . . 30812 1 2 unit_2 2 $entity_CA B A no . . . . . . 30812 1 3 unit_3 2 $entity_CA C A no . . . . . . 30812 1 4 unit_4 2 $entity_CA D A no . . . . . . 30812 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30812 _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 ; MASDYKDDDDKLHLILLPAT GNVAENSPPGTSVHKFSVKL SASLSPVIPGFPQIVNSNPL TEAFRVNWLSGTYFEVVTTG MEQLDFETGPNIFDLQIYVK DEVGVTDLQVLTVQVTDVNE PPGGTK ; _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'Extracellular domain EC1, residues 21-130' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13688.275 _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 'Cadherin-like protein 28' common 30812 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 9 MET . 30812 1 2 10 ALA . 30812 1 3 11 SER . 30812 1 4 12 ASP . 30812 1 5 13 TYR . 30812 1 6 14 LYS . 30812 1 7 15 ASP . 30812 1 8 16 ASP . 30812 1 9 17 ASP . 30812 1 10 18 ASP . 30812 1 11 19 LYS . 30812 1 12 20 LEU . 30812 1 13 21 HIS . 30812 1 14 22 LEU . 30812 1 15 23 ILE . 30812 1 16 24 LEU . 30812 1 17 25 LEU . 30812 1 18 26 PRO . 30812 1 19 27 ALA . 30812 1 20 28 THR . 30812 1 21 29 GLY . 30812 1 22 30 ASN . 30812 1 23 31 VAL . 30812 1 24 32 ALA . 30812 1 25 33 GLU . 30812 1 26 34 ASN . 30812 1 27 35 SER . 30812 1 28 36 PRO . 30812 1 29 37 PRO . 30812 1 30 38 GLY . 30812 1 31 39 THR . 30812 1 32 40 SER . 30812 1 33 41 VAL . 30812 1 34 42 HIS . 30812 1 35 43 LYS . 30812 1 36 44 PHE . 30812 1 37 45 SER . 30812 1 38 46 VAL . 30812 1 39 47 LYS . 30812 1 40 48 LEU . 30812 1 41 49 SER . 30812 1 42 50 ALA . 30812 1 43 51 SER . 30812 1 44 52 LEU . 30812 1 45 53 SER . 30812 1 46 54 PRO . 30812 1 47 55 VAL . 30812 1 48 56 ILE . 30812 1 49 57 PRO . 30812 1 50 58 GLY . 30812 1 51 59 PHE . 30812 1 52 60 PRO . 30812 1 53 61 GLN . 30812 1 54 62 ILE . 30812 1 55 63 VAL . 30812 1 56 64 ASN . 30812 1 57 65 SER . 30812 1 58 66 ASN . 30812 1 59 67 PRO . 30812 1 60 68 LEU . 30812 1 61 69 THR . 30812 1 62 70 GLU . 30812 1 63 71 ALA . 30812 1 64 72 PHE . 30812 1 65 73 ARG . 30812 1 66 74 VAL . 30812 1 67 75 ASN . 30812 1 68 76 TRP . 30812 1 69 77 LEU . 30812 1 70 78 SER . 30812 1 71 79 GLY . 30812 1 72 80 THR . 30812 1 73 81 TYR . 30812 1 74 82 PHE . 30812 1 75 83 GLU . 30812 1 76 84 VAL . 30812 1 77 85 VAL . 30812 1 78 86 THR . 30812 1 79 87 THR . 30812 1 80 88 GLY . 30812 1 81 89 MET . 30812 1 82 90 GLU . 30812 1 83 91 GLN . 30812 1 84 92 LEU . 30812 1 85 93 ASP . 30812 1 86 94 PHE . 30812 1 87 95 GLU . 30812 1 88 96 THR . 30812 1 89 97 GLY . 30812 1 90 98 PRO . 30812 1 91 99 ASN . 30812 1 92 100 ILE . 30812 1 93 101 PHE . 30812 1 94 102 ASP . 30812 1 95 103 LEU . 30812 1 96 104 GLN . 30812 1 97 105 ILE . 30812 1 98 106 TYR . 30812 1 99 107 VAL . 30812 1 100 108 LYS . 30812 1 101 109 ASP . 30812 1 102 110 GLU . 30812 1 103 111 VAL . 30812 1 104 112 GLY . 30812 1 105 113 VAL . 30812 1 106 114 THR . 30812 1 107 115 ASP . 30812 1 108 116 LEU . 30812 1 109 117 GLN . 30812 1 110 118 VAL . 30812 1 111 119 LEU . 30812 1 112 120 THR . 30812 1 113 121 VAL . 30812 1 114 122 GLN . 30812 1 115 123 VAL . 30812 1 116 124 THR . 30812 1 117 125 ASP . 30812 1 118 126 VAL . 30812 1 119 127 ASN . 30812 1 120 128 GLU . 30812 1 121 129 PRO . 30812 1 122 130 PRO . 30812 1 123 131 GLY . 30812 1 124 132 GLY . 30812 1 125 133 THR . 30812 1 126 134 LYS . 30812 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 . MET 1 1 30812 1 . ALA 2 2 30812 1 . SER 3 3 30812 1 . ASP 4 4 30812 1 . TYR 5 5 30812 1 . LYS 6 6 30812 1 . ASP 7 7 30812 1 . ASP 8 8 30812 1 . ASP 9 9 30812 1 . ASP 10 10 30812 1 . LYS 11 11 30812 1 . LEU 12 12 30812 1 . HIS 13 13 30812 1 . LEU 14 14 30812 1 . ILE 15 15 30812 1 . LEU 16 16 30812 1 . LEU 17 17 30812 1 . PRO 18 18 30812 1 . ALA 19 19 30812 1 . THR 20 20 30812 1 . GLY 21 21 30812 1 . ASN 22 22 30812 1 . VAL 23 23 30812 1 . ALA 24 24 30812 1 . GLU 25 25 30812 1 . ASN 26 26 30812 1 . SER 27 27 30812 1 . PRO 28 28 30812 1 . PRO 29 29 30812 1 . GLY 30 30 30812 1 . THR 31 31 30812 1 . SER 32 32 30812 1 . VAL 33 33 30812 1 . HIS 34 34 30812 1 . LYS 35 35 30812 1 . PHE 36 36 30812 1 . SER 37 37 30812 1 . VAL 38 38 30812 1 . LYS 39 39 30812 1 . LEU 40 40 30812 1 . SER 41 41 30812 1 . ALA 42 42 30812 1 . SER 43 43 30812 1 . LEU 44 44 30812 1 . SER 45 45 30812 1 . PRO 46 46 30812 1 . VAL 47 47 30812 1 . ILE 48 48 30812 1 . PRO 49 49 30812 1 . GLY 50 50 30812 1 . PHE 51 51 30812 1 . PRO 52 52 30812 1 . GLN 53 53 30812 1 . ILE 54 54 30812 1 . VAL 55 55 30812 1 . ASN 56 56 30812 1 . SER 57 57 30812 1 . ASN 58 58 30812 1 . PRO 59 59 30812 1 . LEU 60 60 30812 1 . THR 61 61 30812 1 . GLU 62 62 30812 1 . ALA 63 63 30812 1 . PHE 64 64 30812 1 . ARG 65 65 30812 1 . VAL 66 66 30812 1 . ASN 67 67 30812 1 . TRP 68 68 30812 1 . LEU 69 69 30812 1 . SER 70 70 30812 1 . GLY 71 71 30812 1 . THR 72 72 30812 1 . TYR 73 73 30812 1 . PHE 74 74 30812 1 . GLU 75 75 30812 1 . VAL 76 76 30812 1 . VAL 77 77 30812 1 . THR 78 78 30812 1 . THR 79 79 30812 1 . GLY 80 80 30812 1 . MET 81 81 30812 1 . GLU 82 82 30812 1 . GLN 83 83 30812 1 . LEU 84 84 30812 1 . ASP 85 85 30812 1 . PHE 86 86 30812 1 . GLU 87 87 30812 1 . THR 88 88 30812 1 . GLY 89 89 30812 1 . PRO 90 90 30812 1 . ASN 91 91 30812 1 . ILE 92 92 30812 1 . PHE 93 93 30812 1 . ASP 94 94 30812 1 . LEU 95 95 30812 1 . GLN 96 96 30812 1 . ILE 97 97 30812 1 . TYR 98 98 30812 1 . VAL 99 99 30812 1 . LYS 100 100 30812 1 . ASP 101 101 30812 1 . GLU 102 102 30812 1 . VAL 103 103 30812 1 . GLY 104 104 30812 1 . VAL 105 105 30812 1 . THR 106 106 30812 1 . ASP 107 107 30812 1 . LEU 108 108 30812 1 . GLN 109 109 30812 1 . VAL 110 110 30812 1 . LEU 111 111 30812 1 . THR 112 112 30812 1 . VAL 113 113 30812 1 . GLN 114 114 30812 1 . VAL 115 115 30812 1 . THR 116 116 30812 1 . ASP 117 117 30812 1 . VAL 118 118 30812 1 . ASN 119 119 30812 1 . GLU 120 120 30812 1 . PRO 121 121 30812 1 . PRO 122 122 30812 1 . GLY 123 123 30812 1 . GLY 124 124 30812 1 . THR 125 125 30812 1 . LYS 126 126 30812 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 30812 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name entity_CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _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 'CALCIUM ION' BMRB 30812 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 30812 2 CA 'Three letter code' 30812 2 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 1 CA $chem_comp_CA 30812 2 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 30812 _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 . . . . . . . . . . . 'CDHR3, CDH28' . 30812 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 30812 _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' . . 562 Escherichia coli . . . . . . . . . . 30812 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 30812 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 30812 CA InChI=1S/Ca/q+2 InChI InChI 1.03 30812 CA [Ca++] SMILES CACTVS 3.341 30812 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 30812 CA [Ca+2] SMILES ACDLabs 10.04 30812 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 30812 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30812 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 30812 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30812 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 30812 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30812 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.4 mM [U-100% 13C; U-100% 15N] CDHR3 extracellular domain EC1, 50 mM HEPES, 300 mM potassium chloride, 10 mM calcium chloride, 0.05 % w/v sodium azide, 10 % v/v [U-100% 2H] D2O, 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 'CDHR3 extracellular domain EC1' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.4 . . mM . . . . 30812 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 30812 1 3 'potassium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 30812 1 4 'calcium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 30812 1 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . '% w/v' . . . . 30812 1 6 D2O '[U-100% 2H]' . . . . . . 10 . . '% v/v' . . . . 30812 1 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 30812 _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' 380 . mM 30812 1 pH 7.0 . pH 30812 1 pressure 1 . atm 30812 1 temperature 293 . K 30812 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30812 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30812 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30812 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30812 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _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' . . 30812 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30812 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30812 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Tonelli, Markley' . . 30812 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 30812 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30812 _Software.ID 4 _Software.Type . _Software.Name I-PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Bahrami, Dashti, Eghbalnia, Tonelli, Westler and Markley' . . 30812 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30812 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30812 _Software.ID 5 _Software.Type . _Software.Name PONDEROSA-C/S _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee, Petit, Cornilescu, Stark and Markley' . . 30812 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 30812 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30812 _Software.ID 6 _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' . . 30812 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30812 6 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 30812 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30812 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMR _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30812 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMR _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 30812 _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 Bruker 'AVANCE III' . 600 . . . 30812 1 2 NMR_spectrometer_2 Varian VNMR . 600 . . . 30812 1 3 NMR_spectrometer_3 Varian VNMR . 800 . . . 30812 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 30812 _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 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30812 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30812 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30812 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30812 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30812 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30812 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30812 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30812 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30812 1 10 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30812 1 11 '3D NOESY 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30812 1 12 '3D NOESY 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 30812 1 13 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 30812 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30812 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 30812 _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 . . . . . 30812 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30812 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30812 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 30812 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _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 . _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 '3D HNCACB' . . . 30812 1 2 '3D CBCA(CO)NH' . . . 30812 1 3 '3D HNCA' . . . 30812 1 4 '3D HN(CO)CA' . . . 30812 1 5 '3D HN(CA)CO' . . . 30812 1 6 '3D HNCO' . . . 30812 1 7 '3D HBHA(CO)NH' . . . 30812 1 8 '3D HCCH-TOCSY' . . . 30812 1 9 '3D HCCH-TOCSY' . . . 30812 1 10 '3D HCCH-COSY' . . . 30812 1 11 '3D NOESY 1H-15N HSQC' . . . 30812 1 12 '3D NOESY 1H-13C HSQC aliphatic' . . . 30812 1 13 '2D 1H-13C HSQC aliphatic' . . . 30812 1 14 '2D 1H-15N HSQC' . . . 30812 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 1 1 MET HA H 1 4.716 0.01 . . . . . . A 9 MET HA . 30812 1 2 . 1 . 1 1 1 MET HB2 H 1 2.352 0.01 . . . . . . A 9 MET HB2 . 30812 1 3 . 1 . 1 1 1 MET HB3 H 1 1.528 0.00 . . . . . . A 9 MET HB3 . 30812 1 4 . 1 . 1 1 1 MET C C 13 178.251 0.00 . . . . . . A 9 MET C . 30812 1 5 . 1 . 1 1 1 MET CA C 13 54.967 0.03 . . . . . . A 9 MET CA . 30812 1 6 . 1 . 1 1 1 MET CB C 13 30.303 0.03 . . . . . . A 9 MET CB . 30812 1 7 . 1 . 1 2 2 ALA H H 1 8.814 0.01 . . . . . . A 10 ALA H . 30812 1 8 . 1 . 1 2 2 ALA HA H 1 4.786 0.00 . . . . . . A 10 ALA HA . 30812 1 9 . 1 . 1 2 2 ALA HB1 H 1 1.057 0.00 . . . . . . A 10 ALA HB1 . 30812 1 10 . 1 . 1 2 2 ALA HB2 H 1 1.057 0.00 . . . . . . A 10 ALA HB2 . 30812 1 11 . 1 . 1 2 2 ALA HB3 H 1 1.057 0.00 . . . . . . A 10 ALA HB3 . 30812 1 12 . 1 . 1 2 2 ALA C C 13 177.310 0.00 . . . . . . A 10 ALA C . 30812 1 13 . 1 . 1 2 2 ALA CA C 13 53.959 0.02 . . . . . . A 10 ALA CA . 30812 1 14 . 1 . 1 2 2 ALA CB C 13 18.831 0.00 . . . . . . A 10 ALA CB . 30812 1 15 . 1 . 1 2 2 ALA N N 15 122.952 0.05 . . . . . . A 10 ALA N . 30812 1 16 . 1 . 1 3 3 SER H H 1 8.198 0.00 . . . . . . A 11 SER H . 30812 1 17 . 1 . 1 3 3 SER HA H 1 4.471 0.01 . . . . . . A 11 SER HA . 30812 1 18 . 1 . 1 3 3 SER HB2 H 1 3.818 0.01 . . . . . . A 11 SER HB2 . 30812 1 19 . 1 . 1 3 3 SER HB3 H 1 3.818 0.01 . . . . . . A 11 SER HB3 . 30812 1 20 . 1 . 1 3 3 SER C C 13 174.650 0.00 . . . . . . A 11 SER C . 30812 1 21 . 1 . 1 3 3 SER CA C 13 58.235 0.02 . . . . . . A 11 SER CA . 30812 1 22 . 1 . 1 3 3 SER CB C 13 63.844 0.03 . . . . . . A 11 SER CB . 30812 1 23 . 1 . 1 4 4 ASP H H 1 8.440 0.01 . . . . . . A 12 ASP H . 30812 1 24 . 1 . 1 4 4 ASP HA H 1 4.562 0.01 . . . . . . A 12 ASP HA . 30812 1 25 . 1 . 1 4 4 ASP HB2 H 1 2.565 0.02 . . . . . . A 12 ASP HB2 . 30812 1 26 . 1 . 1 4 4 ASP HB3 H 1 2.565 0.02 . . . . . . A 12 ASP HB3 . 30812 1 27 . 1 . 1 4 4 ASP C C 13 176.451 0.00 . . . . . . A 12 ASP C . 30812 1 28 . 1 . 1 4 4 ASP CA C 13 54.279 0.06 . . . . . . A 12 ASP CA . 30812 1 29 . 1 . 1 4 4 ASP CB C 13 41.276 0.09 . . . . . . A 12 ASP CB . 30812 1 30 . 1 . 1 4 4 ASP N N 15 122.332 0.06 . . . . . . A 12 ASP N . 30812 1 31 . 1 . 1 5 5 TYR H H 1 8.130 0.01 . . . . . . A 13 TYR H . 30812 1 32 . 1 . 1 5 5 TYR HA H 1 4.509 0.01 . . . . . . A 13 TYR HA . 30812 1 33 . 1 . 1 5 5 TYR HB2 H 1 2.995 0.01 . . . . . . A 13 TYR HB2 . 30812 1 34 . 1 . 1 5 5 TYR HB3 H 1 2.941 0.01 . . . . . . A 13 TYR HB3 . 30812 1 35 . 1 . 1 5 5 TYR C C 13 176.312 0.01 . . . . . . A 13 TYR C . 30812 1 36 . 1 . 1 5 5 TYR CA C 13 58.082 0.02 . . . . . . A 13 TYR CA . 30812 1 37 . 1 . 1 5 5 TYR CB C 13 38.722 0.03 . . . . . . A 13 TYR CB . 30812 1 38 . 1 . 1 5 5 TYR N N 15 120.421 0.06 . . . . . . A 13 TYR N . 30812 1 39 . 1 . 1 6 6 LYS H H 1 8.169 0.01 . . . . . . A 14 LYS H . 30812 1 40 . 1 . 1 6 6 LYS HA H 1 4.237 0.01 . . . . . . A 14 LYS HA . 30812 1 41 . 1 . 1 6 6 LYS HB2 H 1 1.733 0.02 . . . . . . A 14 LYS HB2 . 30812 1 42 . 1 . 1 6 6 LYS HB3 H 1 1.672 0.01 . . . . . . A 14 LYS HB3 . 30812 1 43 . 1 . 1 6 6 LYS HG2 H 1 1.321 0.00 . . . . . . A 14 LYS HG2 . 30812 1 44 . 1 . 1 6 6 LYS HG3 H 1 1.321 0.00 . . . . . . A 14 LYS HG3 . 30812 1 45 . 1 . 1 6 6 LYS HD2 H 1 1.633 0.00 . . . . . . A 14 LYS HD2 . 30812 1 46 . 1 . 1 6 6 LYS HD3 H 1 1.633 0.00 . . . . . . A 14 LYS HD3 . 30812 1 47 . 1 . 1 6 6 LYS HE2 H 1 2.999 0.02 . . . . . . A 14 LYS HE2 . 30812 1 48 . 1 . 1 6 6 LYS HE3 H 1 2.999 0.02 . . . . . . A 14 LYS HE3 . 30812 1 49 . 1 . 1 6 6 LYS C C 13 176.645 0.00 . . . . . . A 14 LYS C . 30812 1 50 . 1 . 1 6 6 LYS CA C 13 56.129 0.03 . . . . . . A 14 LYS CA . 30812 1 51 . 1 . 1 6 6 LYS CB C 13 33.176 0.09 . . . . . . A 14 LYS CB . 30812 1 52 . 1 . 1 6 6 LYS CG C 13 24.545 0.01 . . . . . . A 14 LYS CG . 30812 1 53 . 1 . 1 6 6 LYS CD C 13 29.036 0.06 . . . . . . A 14 LYS CD . 30812 1 54 . 1 . 1 6 6 LYS CE C 13 42.138 0.06 . . . . . . A 14 LYS CE . 30812 1 55 . 1 . 1 6 6 LYS N N 15 123.771 0.06 . . . . . . A 14 LYS N . 30812 1 56 . 1 . 1 7 7 ASP H H 1 8.228 0.01 . . . . . . A 15 ASP H . 30812 1 57 . 1 . 1 7 7 ASP HA H 1 4.525 0.01 . . . . . . A 15 ASP HA . 30812 1 58 . 1 . 1 7 7 ASP HB2 H 1 2.623 0.01 . . . . . . A 15 ASP HB2 . 30812 1 59 . 1 . 1 7 7 ASP HB3 H 1 2.623 0.01 . . . . . . A 15 ASP HB3 . 30812 1 60 . 1 . 1 7 7 ASP C C 13 177.046 0.11 . . . . . . A 15 ASP C . 30812 1 61 . 1 . 1 7 7 ASP CA C 13 54.514 0.02 . . . . . . A 15 ASP CA . 30812 1 62 . 1 . 1 7 7 ASP CB C 13 41.211 0.04 . . . . . . A 15 ASP CB . 30812 1 63 . 1 . 1 7 7 ASP N N 15 121.417 0.02 . . . . . . A 15 ASP N . 30812 1 64 . 1 . 1 8 8 ASP H H 1 8.259 0.01 . . . . . . A 16 ASP H . 30812 1 65 . 1 . 1 8 8 ASP HA H 1 4.560 0.01 . . . . . . A 16 ASP HA . 30812 1 66 . 1 . 1 8 8 ASP HB2 H 1 2.660 0.01 . . . . . . A 16 ASP HB2 . 30812 1 67 . 1 . 1 8 8 ASP HB3 H 1 2.660 0.01 . . . . . . A 16 ASP HB3 . 30812 1 68 . 1 . 1 8 8 ASP C C 13 176.887 0.03 . . . . . . A 16 ASP C . 30812 1 69 . 1 . 1 8 8 ASP CA C 13 54.585 0.12 . . . . . . A 16 ASP CA . 30812 1 70 . 1 . 1 8 8 ASP CB C 13 41.081 0.04 . . . . . . A 16 ASP CB . 30812 1 71 . 1 . 1 8 8 ASP N N 15 120.616 0.06 . . . . . . A 16 ASP N . 30812 1 72 . 1 . 1 9 9 ASP H H 1 8.070 0.01 . . . . . . A 17 ASP H . 30812 1 73 . 1 . 1 9 9 ASP HA H 1 4.544 0.01 . . . . . . A 17 ASP HA . 30812 1 74 . 1 . 1 9 9 ASP HB2 H 1 2.677 0.01 . . . . . . A 17 ASP HB2 . 30812 1 75 . 1 . 1 9 9 ASP HB3 H 1 2.677 0.01 . . . . . . A 17 ASP HB3 . 30812 1 76 . 1 . 1 9 9 ASP C C 13 176.895 0.02 . . . . . . A 17 ASP C . 30812 1 77 . 1 . 1 9 9 ASP CA C 13 54.725 0.06 . . . . . . A 17 ASP CA . 30812 1 78 . 1 . 1 9 9 ASP CB C 13 41.247 0.00 . . . . . . A 17 ASP CB . 30812 1 79 . 1 . 1 9 9 ASP N N 15 120.926 0.08 . . . . . . A 17 ASP N . 30812 1 80 . 1 . 1 10 10 ASP H H 1 8.285 0.00 . . . . . . A 18 ASP H . 30812 1 81 . 1 . 1 10 10 ASP HA H 1 4.677 0.01 . . . . . . A 18 ASP HA . 30812 1 82 . 1 . 1 10 10 ASP HB2 H 1 2.752 0.01 . . . . . . A 18 ASP HB2 . 30812 1 83 . 1 . 1 10 10 ASP HB3 H 1 2.752 0.01 . . . . . . A 18 ASP HB3 . 30812 1 84 . 1 . 1 10 10 ASP C C 13 176.923 0.01 . . . . . . A 18 ASP C . 30812 1 85 . 1 . 1 10 10 ASP CA C 13 54.566 0.02 . . . . . . A 18 ASP CA . 30812 1 86 . 1 . 1 10 10 ASP CB C 13 40.906 0.02 . . . . . . A 18 ASP CB . 30812 1 87 . 1 . 1 10 10 ASP N N 15 119.157 0.02 . . . . . . A 18 ASP N . 30812 1 88 . 1 . 1 11 11 LYS H H 1 7.906 0.01 . . . . . . A 19 LYS H . 30812 1 89 . 1 . 1 11 11 LYS HA H 1 4.533 0.01 . . . . . . A 19 LYS HA . 30812 1 90 . 1 . 1 11 11 LYS HB2 H 1 1.706 0.01 . . . . . . A 19 LYS HB2 . 30812 1 91 . 1 . 1 11 11 LYS HB3 H 1 1.671 0.01 . . . . . . A 19 LYS HB3 . 30812 1 92 . 1 . 1 11 11 LYS HG2 H 1 1.422 0.01 . . . . . . A 19 LYS HG2 . 30812 1 93 . 1 . 1 11 11 LYS HG3 H 1 1.422 0.01 . . . . . . A 19 LYS HG3 . 30812 1 94 . 1 . 1 11 11 LYS HD2 H 1 1.695 0.00 . . . . . . A 19 LYS HD2 . 30812 1 95 . 1 . 1 11 11 LYS HD3 H 1 1.695 0.00 . . . . . . A 19 LYS HD3 . 30812 1 96 . 1 . 1 11 11 LYS HE2 H 1 3.043 0.01 . . . . . . A 19 LYS HE2 . 30812 1 97 . 1 . 1 11 11 LYS HE3 H 1 3.043 0.01 . . . . . . A 19 LYS HE3 . 30812 1 98 . 1 . 1 11 11 LYS C C 13 175.642 0.00 . . . . . . A 19 LYS C . 30812 1 99 . 1 . 1 11 11 LYS CA C 13 54.984 0.05 . . . . . . A 19 LYS CA . 30812 1 100 . 1 . 1 11 11 LYS CB C 13 35.104 0.05 . . . . . . A 19 LYS CB . 30812 1 101 . 1 . 1 11 11 LYS CG C 13 24.675 0.00 . . . . . . A 19 LYS CG . 30812 1 102 . 1 . 1 11 11 LYS CD C 13 29.003 0.00 . . . . . . A 19 LYS CD . 30812 1 103 . 1 . 1 11 11 LYS CE C 13 42.102 0.01 . . . . . . A 19 LYS CE . 30812 1 104 . 1 . 1 11 11 LYS N N 15 120.805 0.06 . . . . . . A 19 LYS N . 30812 1 105 . 1 . 1 12 12 LEU H H 1 7.571 0.02 . . . . . . A 20 LEU H . 30812 1 106 . 1 . 1 12 12 LEU HA H 1 4.678 0.01 . . . . . . A 20 LEU HA . 30812 1 107 . 1 . 1 12 12 LEU HB2 H 1 1.568 0.01 . . . . . . A 20 LEU HB2 . 30812 1 108 . 1 . 1 12 12 LEU HB3 H 1 1.533 0.01 . . . . . . A 20 LEU HB3 . 30812 1 109 . 1 . 1 12 12 LEU HG H 1 1.561 0.01 . . . . . . A 20 LEU HG . 30812 1 110 . 1 . 1 12 12 LEU HD11 H 1 0.883 0.00 . . . . . . A 20 LEU HD11 . 30812 1 111 . 1 . 1 12 12 LEU HD12 H 1 0.883 0.00 . . . . . . A 20 LEU HD12 . 30812 1 112 . 1 . 1 12 12 LEU HD13 H 1 0.883 0.00 . . . . . . A 20 LEU HD13 . 30812 1 113 . 1 . 1 12 12 LEU HD21 H 1 0.883 0.00 . . . . . . A 20 LEU HD21 . 30812 1 114 . 1 . 1 12 12 LEU HD22 H 1 0.883 0.00 . . . . . . A 20 LEU HD22 . 30812 1 115 . 1 . 1 12 12 LEU HD23 H 1 0.883 0.00 . . . . . . A 20 LEU HD23 . 30812 1 116 . 1 . 1 12 12 LEU C C 13 176.474 0.00 . . . . . . A 20 LEU C . 30812 1 117 . 1 . 1 12 12 LEU CA C 13 54.895 0.12 . . . . . . A 20 LEU CA . 30812 1 118 . 1 . 1 12 12 LEU CB C 13 42.719 0.11 . . . . . . A 20 LEU CB . 30812 1 119 . 1 . 1 12 12 LEU CG C 13 27.290 0.01 . . . . . . A 20 LEU CG . 30812 1 120 . 1 . 1 12 12 LEU CD1 C 13 24.866 0.10 . . . . . . A 20 LEU CD1 . 30812 1 121 . 1 . 1 12 12 LEU CD2 C 13 24.866 0.10 . . . . . . A 20 LEU CD2 . 30812 1 122 . 1 . 1 12 12 LEU N N 15 123.982 0.05 . . . . . . A 20 LEU N . 30812 1 123 . 1 . 1 13 13 HIS H H 1 8.762 0.01 . . . . . . A 21 HIS H . 30812 1 124 . 1 . 1 13 13 HIS HA H 1 4.845 0.01 . . . . . . A 21 HIS HA . 30812 1 125 . 1 . 1 13 13 HIS HB2 H 1 2.979 0.02 . . . . . . A 21 HIS HB2 . 30812 1 126 . 1 . 1 13 13 HIS HB3 H 1 2.979 0.02 . . . . . . A 21 HIS HB3 . 30812 1 127 . 1 . 1 13 13 HIS C C 13 174.679 0.00 . . . . . . A 21 HIS C . 30812 1 128 . 1 . 1 13 13 HIS CA C 13 55.159 0.11 . . . . . . A 21 HIS CA . 30812 1 129 . 1 . 1 13 13 HIS CB C 13 31.403 0.04 . . . . . . A 21 HIS CB . 30812 1 130 . 1 . 1 13 13 HIS N N 15 118.227 0.14 . . . . . . A 21 HIS N . 30812 1 131 . 1 . 1 14 14 LEU H H 1 9.851 0.01 . . . . . . A 22 LEU H . 30812 1 132 . 1 . 1 14 14 LEU HA H 1 4.641 0.01 . . . . . . A 22 LEU HA . 30812 1 133 . 1 . 1 14 14 LEU HB2 H 1 1.642 0.02 . . . . . . A 22 LEU HB2 . 30812 1 134 . 1 . 1 14 14 LEU HB3 H 1 1.201 0.02 . . . . . . A 22 LEU HB3 . 30812 1 135 . 1 . 1 14 14 LEU HG H 1 1.569 0.02 . . . . . . A 22 LEU HG . 30812 1 136 . 1 . 1 14 14 LEU HD11 H 1 0.881 0.00 . . . . . . A 22 LEU HD11 . 30812 1 137 . 1 . 1 14 14 LEU HD12 H 1 0.881 0.00 . . . . . . A 22 LEU HD12 . 30812 1 138 . 1 . 1 14 14 LEU HD13 H 1 0.881 0.00 . . . . . . A 22 LEU HD13 . 30812 1 139 . 1 . 1 14 14 LEU HD21 H 1 0.881 0.00 . . . . . . A 22 LEU HD21 . 30812 1 140 . 1 . 1 14 14 LEU HD22 H 1 0.881 0.00 . . . . . . A 22 LEU HD22 . 30812 1 141 . 1 . 1 14 14 LEU HD23 H 1 0.881 0.00 . . . . . . A 22 LEU HD23 . 30812 1 142 . 1 . 1 14 14 LEU C C 13 176.177 0.00 . . . . . . A 22 LEU C . 30812 1 143 . 1 . 1 14 14 LEU CA C 13 55.430 0.12 . . . . . . A 22 LEU CA . 30812 1 144 . 1 . 1 14 14 LEU CB C 13 42.817 0.08 . . . . . . A 22 LEU CB . 30812 1 145 . 1 . 1 14 14 LEU CG C 13 27.201 0.04 . . . . . . A 22 LEU CG . 30812 1 146 . 1 . 1 14 14 LEU CD1 C 13 24.661 0.00 . . . . . . A 22 LEU CD1 . 30812 1 147 . 1 . 1 14 14 LEU CD2 C 13 24.661 0.00 . . . . . . A 22 LEU CD2 . 30812 1 148 . 1 . 1 14 14 LEU N N 15 122.999 0.10 . . . . . . A 22 LEU N . 30812 1 149 . 1 . 1 15 15 ILE H H 1 8.928 0.01 . . . . . . A 23 ILE H . 30812 1 150 . 1 . 1 15 15 ILE HA H 1 4.478 0.01 . . . . . . A 23 ILE HA . 30812 1 151 . 1 . 1 15 15 ILE HB H 1 2.018 0.02 . . . . . . A 23 ILE HB . 30812 1 152 . 1 . 1 15 15 ILE HG12 H 1 1.258 0.01 . . . . . . A 23 ILE HG12 . 30812 1 153 . 1 . 1 15 15 ILE HG13 H 1 1.203 0.02 . . . . . . A 23 ILE HG13 . 30812 1 154 . 1 . 1 15 15 ILE HG21 H 1 1.006 0.01 . . . . . . A 23 ILE HG21 . 30812 1 155 . 1 . 1 15 15 ILE HG22 H 1 1.006 0.01 . . . . . . A 23 ILE HG22 . 30812 1 156 . 1 . 1 15 15 ILE HG23 H 1 1.006 0.01 . . . . . . A 23 ILE HG23 . 30812 1 157 . 1 . 1 15 15 ILE HD11 H 1 0.732 0.01 . . . . . . A 23 ILE HD11 . 30812 1 158 . 1 . 1 15 15 ILE HD12 H 1 0.732 0.01 . . . . . . A 23 ILE HD12 . 30812 1 159 . 1 . 1 15 15 ILE HD13 H 1 0.732 0.01 . . . . . . A 23 ILE HD13 . 30812 1 160 . 1 . 1 15 15 ILE C C 13 176.431 0.01 . . . . . . A 23 ILE C . 30812 1 161 . 1 . 1 15 15 ILE CA C 13 59.565 0.09 . . . . . . A 23 ILE CA . 30812 1 162 . 1 . 1 15 15 ILE CB C 13 38.315 0.08 . . . . . . A 23 ILE CB . 30812 1 163 . 1 . 1 15 15 ILE CG1 C 13 26.969 0.06 . . . . . . A 23 ILE CG1 . 30812 1 164 . 1 . 1 15 15 ILE CG2 C 13 17.705 0.05 . . . . . . A 23 ILE CG2 . 30812 1 165 . 1 . 1 15 15 ILE CD1 C 13 11.455 0.07 . . . . . . A 23 ILE CD1 . 30812 1 166 . 1 . 1 15 15 ILE N N 15 123.228 0.08 . . . . . . A 23 ILE N . 30812 1 167 . 1 . 1 16 16 LEU H H 1 9.031 0.01 . . . . . . A 24 LEU H . 30812 1 168 . 1 . 1 16 16 LEU HA H 1 3.987 0.01 . . . . . . A 24 LEU HA . 30812 1 169 . 1 . 1 16 16 LEU HB2 H 1 2.613 0.01 . . . . . . A 24 LEU HB2 . 30812 1 170 . 1 . 1 16 16 LEU HB3 H 1 2.046 0.01 . . . . . . A 24 LEU HB3 . 30812 1 171 . 1 . 1 16 16 LEU HG H 1 1.014 0.02 . . . . . . A 24 LEU HG . 30812 1 172 . 1 . 1 16 16 LEU HD11 H 1 1.029 0.02 . . . . . . A 24 LEU HD11 . 30812 1 173 . 1 . 1 16 16 LEU HD12 H 1 1.029 0.02 . . . . . . A 24 LEU HD12 . 30812 1 174 . 1 . 1 16 16 LEU HD13 H 1 1.029 0.02 . . . . . . A 24 LEU HD13 . 30812 1 175 . 1 . 1 16 16 LEU HD21 H 1 1.016 0.01 . . . . . . A 24 LEU HD21 . 30812 1 176 . 1 . 1 16 16 LEU HD22 H 1 1.016 0.01 . . . . . . A 24 LEU HD22 . 30812 1 177 . 1 . 1 16 16 LEU HD23 H 1 1.016 0.01 . . . . . . A 24 LEU HD23 . 30812 1 178 . 1 . 1 16 16 LEU C C 13 176.673 0.04 . . . . . . A 24 LEU C . 30812 1 179 . 1 . 1 16 16 LEU CA C 13 57.079 0.05 . . . . . . A 24 LEU CA . 30812 1 180 . 1 . 1 16 16 LEU CB C 13 38.558 0.11 . . . . . . A 24 LEU CB . 30812 1 181 . 1 . 1 16 16 LEU CG C 13 25.600 0.03 . . . . . . A 24 LEU CG . 30812 1 182 . 1 . 1 16 16 LEU CD1 C 13 23.025 0.05 . . . . . . A 24 LEU CD1 . 30812 1 183 . 1 . 1 16 16 LEU CD2 C 13 23.025 0.05 . . . . . . A 24 LEU CD2 . 30812 1 184 . 1 . 1 16 16 LEU N N 15 118.320 0.07 . . . . . . A 24 LEU N . 30812 1 185 . 1 . 1 17 17 LEU H H 1 7.368 0.01 . . . . . . A 25 LEU H . 30812 1 186 . 1 . 1 17 17 LEU HA H 1 4.103 0.02 . . . . . . A 25 LEU HA . 30812 1 187 . 1 . 1 17 17 LEU HB2 H 1 1.027 0.02 . . . . . . A 25 LEU HB2 . 30812 1 188 . 1 . 1 17 17 LEU HB3 H 1 0.894 0.01 . . . . . . A 25 LEU HB3 . 30812 1 189 . 1 . 1 17 17 LEU HG H 1 1.402 0.01 . . . . . . A 25 LEU HG . 30812 1 190 . 1 . 1 17 17 LEU HD11 H 1 0.693 0.00 . . . . . . A 25 LEU HD11 . 30812 1 191 . 1 . 1 17 17 LEU HD12 H 1 0.693 0.00 . . . . . . A 25 LEU HD12 . 30812 1 192 . 1 . 1 17 17 LEU HD13 H 1 0.693 0.00 . . . . . . A 25 LEU HD13 . 30812 1 193 . 1 . 1 17 17 LEU HD21 H 1 0.681 0.00 . . . . . . A 25 LEU HD21 . 30812 1 194 . 1 . 1 17 17 LEU HD22 H 1 0.681 0.00 . . . . . . A 25 LEU HD22 . 30812 1 195 . 1 . 1 17 17 LEU HD23 H 1 0.681 0.00 . . . . . . A 25 LEU HD23 . 30812 1 196 . 1 . 1 17 17 LEU C C 13 174.593 0.00 . . . . . . A 25 LEU C . 30812 1 197 . 1 . 1 17 17 LEU CA C 13 52.690 0.06 . . . . . . A 25 LEU CA . 30812 1 198 . 1 . 1 17 17 LEU CB C 13 47.544 0.05 . . . . . . A 25 LEU CB . 30812 1 199 . 1 . 1 17 17 LEU CG C 13 27.217 0.04 . . . . . . A 25 LEU CG . 30812 1 200 . 1 . 1 17 17 LEU CD1 C 13 21.235 0.02 . . . . . . A 25 LEU CD1 . 30812 1 201 . 1 . 1 17 17 LEU CD2 C 13 21.190 0.00 . . . . . . A 25 LEU CD2 . 30812 1 202 . 1 . 1 17 17 LEU N N 15 114.733 0.05 . . . . . . A 25 LEU N . 30812 1 203 . 1 . 1 18 18 PRO HA H 1 4.594 0.01 . . . . . . A 26 PRO HA . 30812 1 204 . 1 . 1 18 18 PRO HB2 H 1 2.844 0.01 . . . . . . A 26 PRO HB2 . 30812 1 205 . 1 . 1 18 18 PRO HB3 H 1 2.174 0.01 . . . . . . A 26 PRO HB3 . 30812 1 206 . 1 . 1 18 18 PRO HG2 H 1 2.055 0.01 . . . . . . A 26 PRO HG2 . 30812 1 207 . 1 . 1 18 18 PRO HG3 H 1 2.055 0.01 . . . . . . A 26 PRO HG3 . 30812 1 208 . 1 . 1 18 18 PRO HD2 H 1 3.619 0.00 . . . . . . A 26 PRO HD2 . 30812 1 209 . 1 . 1 18 18 PRO HD3 H 1 3.619 0.00 . . . . . . A 26 PRO HD3 . 30812 1 210 . 1 . 1 18 18 PRO C C 13 176.591 0.00 . . . . . . A 26 PRO C . 30812 1 211 . 1 . 1 18 18 PRO CA C 13 62.236 0.10 . . . . . . A 26 PRO CA . 30812 1 212 . 1 . 1 18 18 PRO CB C 13 36.002 0.08 . . . . . . A 26 PRO CB . 30812 1 213 . 1 . 1 18 18 PRO CG C 13 24.707 0.06 . . . . . . A 26 PRO CG . 30812 1 214 . 1 . 1 18 18 PRO CD C 13 50.553 0.06 . . . . . . A 26 PRO CD . 30812 1 215 . 1 . 1 19 19 ALA H H 1 7.832 0.01 . . . . . . A 27 ALA H . 30812 1 216 . 1 . 1 19 19 ALA HA H 1 4.567 0.01 . . . . . . A 27 ALA HA . 30812 1 217 . 1 . 1 19 19 ALA HB1 H 1 1.127 0.01 . . . . . . A 27 ALA HB1 . 30812 1 218 . 1 . 1 19 19 ALA HB2 H 1 1.127 0.01 . . . . . . A 27 ALA HB2 . 30812 1 219 . 1 . 1 19 19 ALA HB3 H 1 1.127 0.01 . . . . . . A 27 ALA HB3 . 30812 1 220 . 1 . 1 19 19 ALA C C 13 175.745 0.00 . . . . . . A 27 ALA C . 30812 1 221 . 1 . 1 19 19 ALA CA C 13 51.744 0.03 . . . . . . A 27 ALA CA . 30812 1 222 . 1 . 1 19 19 ALA CB C 13 23.092 0.05 . . . . . . A 27 ALA CB . 30812 1 223 . 1 . 1 19 19 ALA N N 15 119.794 0.04 . . . . . . A 27 ALA N . 30812 1 224 . 1 . 1 20 20 THR H H 1 8.373 0.01 . . . . . . A 28 THR H . 30812 1 225 . 1 . 1 20 20 THR HA H 1 5.403 0.02 . . . . . . A 28 THR HA . 30812 1 226 . 1 . 1 20 20 THR HB H 1 3.920 0.01 . . . . . . A 28 THR HB . 30812 1 227 . 1 . 1 20 20 THR HG21 H 1 1.075 0.01 . . . . . . A 28 THR HG21 . 30812 1 228 . 1 . 1 20 20 THR HG22 H 1 1.075 0.01 . . . . . . A 28 THR HG22 . 30812 1 229 . 1 . 1 20 20 THR HG23 H 1 1.075 0.01 . . . . . . A 28 THR HG23 . 30812 1 230 . 1 . 1 20 20 THR C C 13 174.852 0.02 . . . . . . A 28 THR C . 30812 1 231 . 1 . 1 20 20 THR CA C 13 60.770 0.05 . . . . . . A 28 THR CA . 30812 1 232 . 1 . 1 20 20 THR CB C 13 70.519 0.04 . . . . . . A 28 THR CB . 30812 1 233 . 1 . 1 20 20 THR N N 15 115.708 0.04 . . . . . . A 28 THR N . 30812 1 234 . 1 . 1 21 21 GLY H H 1 9.203 0.01 . . . . . . A 29 GLY H . 30812 1 235 . 1 . 1 21 21 GLY HA2 H 1 4.806 0.01 . . . . . . A 29 GLY HA2 . 30812 1 236 . 1 . 1 21 21 GLY HA3 H 1 3.357 0.01 . . . . . . A 29 GLY HA3 . 30812 1 237 . 1 . 1 21 21 GLY C C 13 171.746 0.00 . . . . . . A 29 GLY C . 30812 1 238 . 1 . 1 21 21 GLY CA C 13 43.856 0.10 . . . . . . A 29 GLY CA . 30812 1 239 . 1 . 1 21 21 GLY N N 15 113.134 0.07 . . . . . . A 29 GLY N . 30812 1 240 . 1 . 1 22 22 ASN H H 1 8.746 0.01 . . . . . . A 30 ASN H . 30812 1 241 . 1 . 1 22 22 ASN HA H 1 6.035 0.01 . . . . . . A 30 ASN HA . 30812 1 242 . 1 . 1 22 22 ASN HB2 H 1 2.657 0.01 . . . . . . A 30 ASN HB2 . 30812 1 243 . 1 . 1 22 22 ASN HB3 H 1 2.657 0.01 . . . . . . A 30 ASN HB3 . 30812 1 244 . 1 . 1 22 22 ASN C C 13 175.023 0.00 . . . . . . A 30 ASN C . 30812 1 245 . 1 . 1 22 22 ASN CA C 13 52.134 0.06 . . . . . . A 30 ASN CA . 30812 1 246 . 1 . 1 22 22 ASN CB C 13 42.413 0.04 . . . . . . A 30 ASN CB . 30812 1 247 . 1 . 1 22 22 ASN N N 15 118.680 0.04 . . . . . . A 30 ASN N . 30812 1 248 . 1 . 1 23 23 VAL H H 1 9.020 0.01 . . . . . . A 31 VAL H . 30812 1 249 . 1 . 1 23 23 VAL HA H 1 4.500 0.02 . . . . . . A 31 VAL HA . 30812 1 250 . 1 . 1 23 23 VAL HB H 1 1.999 0.01 . . . . . . A 31 VAL HB . 30812 1 251 . 1 . 1 23 23 VAL HG11 H 1 1.041 0.02 . . . . . . A 31 VAL HG11 . 30812 1 252 . 1 . 1 23 23 VAL HG12 H 1 1.041 0.02 . . . . . . A 31 VAL HG12 . 30812 1 253 . 1 . 1 23 23 VAL HG13 H 1 1.041 0.02 . . . . . . A 31 VAL HG13 . 30812 1 254 . 1 . 1 23 23 VAL HG21 H 1 0.938 0.00 . . . . . . A 31 VAL HG21 . 30812 1 255 . 1 . 1 23 23 VAL HG22 H 1 0.938 0.00 . . . . . . A 31 VAL HG22 . 30812 1 256 . 1 . 1 23 23 VAL HG23 H 1 0.938 0.00 . . . . . . A 31 VAL HG23 . 30812 1 257 . 1 . 1 23 23 VAL C C 13 172.786 0.01 . . . . . . A 31 VAL C . 30812 1 258 . 1 . 1 23 23 VAL CA C 13 59.354 0.07 . . . . . . A 31 VAL CA . 30812 1 259 . 1 . 1 23 23 VAL CB C 13 35.266 0.05 . . . . . . A 31 VAL CB . 30812 1 260 . 1 . 1 23 23 VAL CG1 C 13 21.573 0.09 . . . . . . A 31 VAL CG1 . 30812 1 261 . 1 . 1 23 23 VAL CG2 C 13 20.125 0.08 . . . . . . A 31 VAL CG2 . 30812 1 262 . 1 . 1 23 23 VAL N N 15 119.826 0.04 . . . . . . A 31 VAL N . 30812 1 263 . 1 . 1 24 24 ALA H H 1 8.456 0.01 . . . . . . A 32 ALA H . 30812 1 264 . 1 . 1 24 24 ALA HA H 1 4.534 0.02 . . . . . . A 32 ALA HA . 30812 1 265 . 1 . 1 24 24 ALA HB1 H 1 1.221 0.01 . . . . . . A 32 ALA HB1 . 30812 1 266 . 1 . 1 24 24 ALA HB2 H 1 1.221 0.01 . . . . . . A 32 ALA HB2 . 30812 1 267 . 1 . 1 24 24 ALA HB3 H 1 1.221 0.01 . . . . . . A 32 ALA HB3 . 30812 1 268 . 1 . 1 24 24 ALA C C 13 180.877 0.01 . . . . . . A 32 ALA C . 30812 1 269 . 1 . 1 24 24 ALA CA C 13 51.825 0.04 . . . . . . A 32 ALA CA . 30812 1 270 . 1 . 1 24 24 ALA CB C 13 18.624 0.09 . . . . . . A 32 ALA CB . 30812 1 271 . 1 . 1 24 24 ALA N N 15 130.073 0.06 . . . . . . A 32 ALA N . 30812 1 272 . 1 . 1 25 25 GLU H H 1 8.544 0.02 . . . . . . A 33 GLU H . 30812 1 273 . 1 . 1 25 25 GLU HA H 1 4.768 0.02 . . . . . . A 33 GLU HA . 30812 1 274 . 1 . 1 25 25 GLU HB2 H 1 1.790 0.01 . . . . . . A 33 GLU HB2 . 30812 1 275 . 1 . 1 25 25 GLU HB3 H 1 1.790 0.01 . . . . . . A 33 GLU HB3 . 30812 1 276 . 1 . 1 25 25 GLU HG2 H 1 2.119 0.01 . . . . . . A 33 GLU HG2 . 30812 1 277 . 1 . 1 25 25 GLU HG3 H 1 2.119 0.01 . . . . . . A 33 GLU HG3 . 30812 1 278 . 1 . 1 25 25 GLU CA C 13 56.795 0.19 . . . . . . A 33 GLU CA . 30812 1 279 . 1 . 1 25 25 GLU CB C 13 27.884 0.11 . . . . . . A 33 GLU CB . 30812 1 280 . 1 . 1 25 25 GLU CG C 13 38.536 0.05 . . . . . . A 33 GLU CG . 30812 1 281 . 1 . 1 25 25 GLU N N 15 120.519 0.15 . . . . . . A 33 GLU N . 30812 1 282 . 1 . 1 26 26 ASN H H 1 8.782 0.00 . . . . . . A 34 ASN H . 30812 1 283 . 1 . 1 26 26 ASN HA H 1 4.481 0.00 . . . . . . A 34 ASN HA . 30812 1 284 . 1 . 1 26 26 ASN HB2 H 1 3.206 0.02 . . . . . . A 34 ASN HB2 . 30812 1 285 . 1 . 1 26 26 ASN HB3 H 1 3.206 0.02 . . . . . . A 34 ASN HB3 . 30812 1 286 . 1 . 1 26 26 ASN C C 13 176.033 0.04 . . . . . . A 34 ASN C . 30812 1 287 . 1 . 1 26 26 ASN CA C 13 54.534 0.01 . . . . . . A 34 ASN CA . 30812 1 288 . 1 . 1 26 26 ASN CB C 13 37.268 0.04 . . . . . . A 34 ASN CB . 30812 1 289 . 1 . 1 27 27 SER H H 1 7.519 0.01 . . . . . . A 35 SER H . 30812 1 290 . 1 . 1 27 27 SER HA H 1 4.556 0.02 . . . . . . A 35 SER HA . 30812 1 291 . 1 . 1 27 27 SER HB2 H 1 3.700 0.02 . . . . . . A 35 SER HB2 . 30812 1 292 . 1 . 1 27 27 SER HB3 H 1 3.700 0.02 . . . . . . A 35 SER HB3 . 30812 1 293 . 1 . 1 27 27 SER C C 13 178.139 0.00 . . . . . . A 35 SER C . 30812 1 294 . 1 . 1 27 27 SER CA C 13 60.340 0.15 . . . . . . A 35 SER CA . 30812 1 295 . 1 . 1 27 27 SER CB C 13 62.547 0.05 . . . . . . A 35 SER CB . 30812 1 296 . 1 . 1 27 27 SER N N 15 117.031 0.09 . . . . . . A 35 SER N . 30812 1 297 . 1 . 1 29 29 PRO HA H 1 3.932 0.01 . . . . . . A 37 PRO HA . 30812 1 298 . 1 . 1 29 29 PRO HB2 H 1 1.836 0.02 . . . . . . A 37 PRO HB2 . 30812 1 299 . 1 . 1 29 29 PRO HB3 H 1 1.836 0.02 . . . . . . A 37 PRO HB3 . 30812 1 300 . 1 . 1 29 29 PRO HG2 H 1 1.808 0.01 . . . . . . A 37 PRO HG2 . 30812 1 301 . 1 . 1 29 29 PRO HG3 H 1 1.808 0.01 . . . . . . A 37 PRO HG3 . 30812 1 302 . 1 . 1 29 29 PRO C C 13 177.364 0.01 . . . . . . A 37 PRO C . 30812 1 303 . 1 . 1 29 29 PRO CA C 13 63.572 0.09 . . . . . . A 37 PRO CA . 30812 1 304 . 1 . 1 29 29 PRO CB C 13 31.639 0.07 . . . . . . A 37 PRO CB . 30812 1 305 . 1 . 1 29 29 PRO CG C 13 27.910 0.03 . . . . . . A 37 PRO CG . 30812 1 306 . 1 . 1 29 29 PRO CD C 13 50.660 0.00 . . . . . . A 37 PRO CD . 30812 1 307 . 1 . 1 30 30 GLY H H 1 8.357 0.01 . . . . . . A 38 GLY H . 30812 1 308 . 1 . 1 30 30 GLY HA2 H 1 4.206 0.01 . . . . . . A 38 GLY HA2 . 30812 1 309 . 1 . 1 30 30 GLY HA3 H 1 3.451 0.01 . . . . . . A 38 GLY HA3 . 30812 1 310 . 1 . 1 30 30 GLY C C 13 174.961 0.00 . . . . . . A 38 GLY C . 30812 1 311 . 1 . 1 30 30 GLY CA C 13 45.159 0.06 . . . . . . A 38 GLY CA . 30812 1 312 . 1 . 1 30 30 GLY N N 15 112.090 0.06 . . . . . . A 38 GLY N . 30812 1 313 . 1 . 1 31 31 THR H H 1 7.871 0.01 . . . . . . A 39 THR H . 30812 1 314 . 1 . 1 31 31 THR HA H 1 3.947 0.02 . . . . . . A 39 THR HA . 30812 1 315 . 1 . 1 31 31 THR HB H 1 4.190 0.02 . . . . . . A 39 THR HB . 30812 1 316 . 1 . 1 31 31 THR HG21 H 1 1.183 0.02 . . . . . . A 39 THR HG21 . 30812 1 317 . 1 . 1 31 31 THR HG22 H 1 1.183 0.02 . . . . . . A 39 THR HG22 . 30812 1 318 . 1 . 1 31 31 THR HG23 H 1 1.183 0.02 . . . . . . A 39 THR HG23 . 30812 1 319 . 1 . 1 31 31 THR C C 13 174.855 0.00 . . . . . . A 39 THR C . 30812 1 320 . 1 . 1 31 31 THR CA C 13 64.958 0.02 . . . . . . A 39 THR CA . 30812 1 321 . 1 . 1 31 31 THR CB C 13 69.250 0.29 . . . . . . A 39 THR CB . 30812 1 322 . 1 . 1 31 31 THR N N 15 119.795 0.04 . . . . . . A 39 THR N . 30812 1 323 . 1 . 1 32 32 SER H H 1 8.920 0.01 . . . . . . A 40 SER H . 30812 1 324 . 1 . 1 32 32 SER HA H 1 4.315 0.02 . . . . . . A 40 SER HA . 30812 1 325 . 1 . 1 32 32 SER HB2 H 1 3.847 0.01 . . . . . . A 40 SER HB2 . 30812 1 326 . 1 . 1 32 32 SER HB3 H 1 3.800 0.00 . . . . . . A 40 SER HB3 . 30812 1 327 . 1 . 1 32 32 SER C C 13 175.631 0.01 . . . . . . A 40 SER C . 30812 1 328 . 1 . 1 32 32 SER CA C 13 59.958 0.11 . . . . . . A 40 SER CA . 30812 1 329 . 1 . 1 32 32 SER CB C 13 63.063 0.07 . . . . . . A 40 SER CB . 30812 1 330 . 1 . 1 32 32 SER N N 15 121.806 0.05 . . . . . . A 40 SER N . 30812 1 331 . 1 . 1 33 33 VAL H H 1 9.548 0.01 . . . . . . A 41 VAL H . 30812 1 332 . 1 . 1 33 33 VAL HA H 1 4.076 0.01 . . . . . . A 41 VAL HA . 30812 1 333 . 1 . 1 33 33 VAL HB H 1 1.754 0.02 . . . . . . A 41 VAL HB . 30812 1 334 . 1 . 1 33 33 VAL HG11 H 1 1.044 0.00 . . . . . . A 41 VAL HG11 . 30812 1 335 . 1 . 1 33 33 VAL HG12 H 1 1.044 0.00 . . . . . . A 41 VAL HG12 . 30812 1 336 . 1 . 1 33 33 VAL HG13 H 1 1.044 0.00 . . . . . . A 41 VAL HG13 . 30812 1 337 . 1 . 1 33 33 VAL HG21 H 1 1.026 0.01 . . . . . . A 41 VAL HG21 . 30812 1 338 . 1 . 1 33 33 VAL HG22 H 1 1.026 0.01 . . . . . . A 41 VAL HG22 . 30812 1 339 . 1 . 1 33 33 VAL HG23 H 1 1.026 0.01 . . . . . . A 41 VAL HG23 . 30812 1 340 . 1 . 1 33 33 VAL C C 13 175.769 0.02 . . . . . . A 41 VAL C . 30812 1 341 . 1 . 1 33 33 VAL CA C 13 63.826 0.05 . . . . . . A 41 VAL CA . 30812 1 342 . 1 . 1 33 33 VAL CB C 13 33.471 0.09 . . . . . . A 41 VAL CB . 30812 1 343 . 1 . 1 33 33 VAL CG1 C 13 21.553 0.03 . . . . . . A 41 VAL CG1 . 30812 1 344 . 1 . 1 33 33 VAL CG2 C 13 21.540 0.01 . . . . . . A 41 VAL CG2 . 30812 1 345 . 1 . 1 33 33 VAL N N 15 128.078 0.06 . . . . . . A 41 VAL N . 30812 1 346 . 1 . 1 34 34 HIS H H 1 7.301 0.01 . . . . . . A 42 HIS H . 30812 1 347 . 1 . 1 34 34 HIS HA H 1 4.953 0.01 . . . . . . A 42 HIS HA . 30812 1 348 . 1 . 1 34 34 HIS HB2 H 1 3.059 0.02 . . . . . . A 42 HIS HB2 . 30812 1 349 . 1 . 1 34 34 HIS HB3 H 1 2.453 0.02 . . . . . . A 42 HIS HB3 . 30812 1 350 . 1 . 1 34 34 HIS C C 13 174.217 0.00 . . . . . . A 42 HIS C . 30812 1 351 . 1 . 1 34 34 HIS CA C 13 57.435 0.07 . . . . . . A 42 HIS CA . 30812 1 352 . 1 . 1 34 34 HIS CB C 13 36.393 0.04 . . . . . . A 42 HIS CB . 30812 1 353 . 1 . 1 34 34 HIS N N 15 114.106 0.05 . . . . . . A 42 HIS N . 30812 1 354 . 1 . 1 35 35 LYS H H 1 7.635 0.01 . . . . . . A 43 LYS H . 30812 1 355 . 1 . 1 35 35 LYS HA H 1 5.043 0.01 . . . . . . A 43 LYS HA . 30812 1 356 . 1 . 1 35 35 LYS HB2 H 1 1.843 0.01 . . . . . . A 43 LYS HB2 . 30812 1 357 . 1 . 1 35 35 LYS HB3 H 1 1.559 0.02 . . . . . . A 43 LYS HB3 . 30812 1 358 . 1 . 1 35 35 LYS HG2 H 1 1.319 0.00 . . . . . . A 43 LYS HG2 . 30812 1 359 . 1 . 1 35 35 LYS HG3 H 1 1.319 0.00 . . . . . . A 43 LYS HG3 . 30812 1 360 . 1 . 1 35 35 LYS HD2 H 1 1.535 0.00 . . . . . . A 43 LYS HD2 . 30812 1 361 . 1 . 1 35 35 LYS HD3 H 1 1.535 0.00 . . . . . . A 43 LYS HD3 . 30812 1 362 . 1 . 1 35 35 LYS HE2 H 1 2.828 0.02 . . . . . . A 43 LYS HE2 . 30812 1 363 . 1 . 1 35 35 LYS HE3 H 1 2.828 0.02 . . . . . . A 43 LYS HE3 . 30812 1 364 . 1 . 1 35 35 LYS C C 13 174.719 0.00 . . . . . . A 43 LYS C . 30812 1 365 . 1 . 1 35 35 LYS CA C 13 55.793 0.05 . . . . . . A 43 LYS CA . 30812 1 366 . 1 . 1 35 35 LYS CB C 13 33.814 0.11 . . . . . . A 43 LYS CB . 30812 1 367 . 1 . 1 35 35 LYS CG C 13 25.793 0.05 . . . . . . A 43 LYS CG . 30812 1 368 . 1 . 1 35 35 LYS CD C 13 29.209 0.10 . . . . . . A 43 LYS CD . 30812 1 369 . 1 . 1 35 35 LYS CE C 13 42.152 0.06 . . . . . . A 43 LYS CE . 30812 1 370 . 1 . 1 35 35 LYS N N 15 128.464 0.06 . . . . . . A 43 LYS N . 30812 1 371 . 1 . 1 36 36 PHE H H 1 8.712 0.01 . . . . . . A 44 PHE H . 30812 1 372 . 1 . 1 36 36 PHE HA H 1 5.117 0.01 . . . . . . A 44 PHE HA . 30812 1 373 . 1 . 1 36 36 PHE HB2 H 1 2.826 0.02 . . . . . . A 44 PHE HB2 . 30812 1 374 . 1 . 1 36 36 PHE HB3 H 1 2.826 0.02 . . . . . . A 44 PHE HB3 . 30812 1 375 . 1 . 1 36 36 PHE C C 13 172.241 0.01 . . . . . . A 44 PHE C . 30812 1 376 . 1 . 1 36 36 PHE CA C 13 56.073 0.05 . . . . . . A 44 PHE CA . 30812 1 377 . 1 . 1 36 36 PHE CB C 13 39.788 0.09 . . . . . . A 44 PHE CB . 30812 1 378 . 1 . 1 36 36 PHE N N 15 117.852 0.05 . . . . . . A 44 PHE N . 30812 1 379 . 1 . 1 37 37 SER H H 1 8.462 0.01 . . . . . . A 45 SER H . 30812 1 380 . 1 . 1 37 37 SER HA H 1 5.577 0.01 . . . . . . A 45 SER HA . 30812 1 381 . 1 . 1 37 37 SER HB2 H 1 3.554 0.01 . . . . . . A 45 SER HB2 . 30812 1 382 . 1 . 1 37 37 SER HB3 H 1 3.554 0.01 . . . . . . A 45 SER HB3 . 30812 1 383 . 1 . 1 37 37 SER C C 13 173.893 0.01 . . . . . . A 45 SER C . 30812 1 384 . 1 . 1 37 37 SER CA C 13 56.497 0.04 . . . . . . A 45 SER CA . 30812 1 385 . 1 . 1 37 37 SER CB C 13 66.441 0.03 . . . . . . A 45 SER CB . 30812 1 386 . 1 . 1 37 37 SER N N 15 112.674 0.07 . . . . . . A 45 SER N . 30812 1 387 . 1 . 1 38 38 VAL H H 1 8.322 0.01 . . . . . . A 46 VAL H . 30812 1 388 . 1 . 1 38 38 VAL HA H 1 4.709 0.02 . . . . . . A 46 VAL HA . 30812 1 389 . 1 . 1 38 38 VAL HB H 1 1.940 0.01 . . . . . . A 46 VAL HB . 30812 1 390 . 1 . 1 38 38 VAL HG11 H 1 0.839 0.02 . . . . . . A 46 VAL HG11 . 30812 1 391 . 1 . 1 38 38 VAL HG12 H 1 0.839 0.02 . . . . . . A 46 VAL HG12 . 30812 1 392 . 1 . 1 38 38 VAL HG13 H 1 0.839 0.02 . . . . . . A 46 VAL HG13 . 30812 1 393 . 1 . 1 38 38 VAL HG21 H 1 0.803 0.02 . . . . . . A 46 VAL HG21 . 30812 1 394 . 1 . 1 38 38 VAL HG22 H 1 0.803 0.02 . . . . . . A 46 VAL HG22 . 30812 1 395 . 1 . 1 38 38 VAL HG23 H 1 0.803 0.02 . . . . . . A 46 VAL HG23 . 30812 1 396 . 1 . 1 38 38 VAL C C 13 174.610 0.00 . . . . . . A 46 VAL C . 30812 1 397 . 1 . 1 38 38 VAL CA C 13 60.559 0.07 . . . . . . A 46 VAL CA . 30812 1 398 . 1 . 1 38 38 VAL CB C 13 35.447 0.03 . . . . . . A 46 VAL CB . 30812 1 399 . 1 . 1 38 38 VAL CG1 C 13 22.296 0.13 . . . . . . A 46 VAL CG1 . 30812 1 400 . 1 . 1 38 38 VAL CG2 C 13 22.463 0.24 . . . . . . A 46 VAL CG2 . 30812 1 401 . 1 . 1 38 38 VAL N N 15 117.218 0.06 . . . . . . A 46 VAL N . 30812 1 402 . 1 . 1 39 39 LYS H H 1 8.883 0.02 . . . . . . A 47 LYS H . 30812 1 403 . 1 . 1 39 39 LYS HA H 1 4.527 0.02 . . . . . . A 47 LYS HA . 30812 1 404 . 1 . 1 39 39 LYS HB2 H 1 1.427 0.01 . . . . . . A 47 LYS HB2 . 30812 1 405 . 1 . 1 39 39 LYS HB3 H 1 1.427 0.01 . . . . . . A 47 LYS HB3 . 30812 1 406 . 1 . 1 39 39 LYS HG2 H 1 1.320 0.01 . . . . . . A 47 LYS HG2 . 30812 1 407 . 1 . 1 39 39 LYS HG3 H 1 1.320 0.01 . . . . . . A 47 LYS HG3 . 30812 1 408 . 1 . 1 39 39 LYS HD2 H 1 1.629 0.01 . . . . . . A 47 LYS HD2 . 30812 1 409 . 1 . 1 39 39 LYS HD3 H 1 1.629 0.01 . . . . . . A 47 LYS HD3 . 30812 1 410 . 1 . 1 39 39 LYS HE2 H 1 3.066 0.02 . . . . . . A 47 LYS HE2 . 30812 1 411 . 1 . 1 39 39 LYS HE3 H 1 3.066 0.02 . . . . . . A 47 LYS HE3 . 30812 1 412 . 1 . 1 39 39 LYS C C 13 175.708 0.01 . . . . . . A 47 LYS C . 30812 1 413 . 1 . 1 39 39 LYS CA C 13 54.451 0.08 . . . . . . A 47 LYS CA . 30812 1 414 . 1 . 1 39 39 LYS CB C 13 33.712 0.08 . . . . . . A 47 LYS CB . 30812 1 415 . 1 . 1 39 39 LYS CG C 13 24.549 0.00 . . . . . . A 47 LYS CG . 30812 1 416 . 1 . 1 39 39 LYS CD C 13 29.141 0.03 . . . . . . A 47 LYS CD . 30812 1 417 . 1 . 1 39 39 LYS CE C 13 42.229 0.01 . . . . . . A 47 LYS CE . 30812 1 418 . 1 . 1 39 39 LYS N N 15 128.754 0.10 . . . . . . A 47 LYS N . 30812 1 419 . 1 . 1 40 40 LEU H H 1 8.279 0.01 . . . . . . A 48 LEU H . 30812 1 420 . 1 . 1 40 40 LEU HA H 1 4.307 0.03 . . . . . . A 48 LEU HA . 30812 1 421 . 1 . 1 40 40 LEU HB2 H 1 1.696 0.01 . . . . . . A 48 LEU HB2 . 30812 1 422 . 1 . 1 40 40 LEU HB3 H 1 1.696 0.01 . . . . . . A 48 LEU HB3 . 30812 1 423 . 1 . 1 40 40 LEU HG H 1 1.436 0.01 . . . . . . A 48 LEU HG . 30812 1 424 . 1 . 1 40 40 LEU HD11 H 1 0.913 0.00 . . . . . . A 48 LEU HD11 . 30812 1 425 . 1 . 1 40 40 LEU HD12 H 1 0.913 0.00 . . . . . . A 48 LEU HD12 . 30812 1 426 . 1 . 1 40 40 LEU HD13 H 1 0.913 0.00 . . . . . . A 48 LEU HD13 . 30812 1 427 . 1 . 1 40 40 LEU HD21 H 1 0.885 0.01 . . . . . . A 48 LEU HD21 . 30812 1 428 . 1 . 1 40 40 LEU HD22 H 1 0.885 0.01 . . . . . . A 48 LEU HD22 . 30812 1 429 . 1 . 1 40 40 LEU HD23 H 1 0.885 0.01 . . . . . . A 48 LEU HD23 . 30812 1 430 . 1 . 1 40 40 LEU C C 13 178.434 0.01 . . . . . . A 48 LEU C . 30812 1 431 . 1 . 1 40 40 LEU CA C 13 54.676 0.08 . . . . . . A 48 LEU CA . 30812 1 432 . 1 . 1 40 40 LEU CB C 13 42.506 0.06 . . . . . . A 48 LEU CB . 30812 1 433 . 1 . 1 40 40 LEU CG C 13 27.196 0.00 . . . . . . A 48 LEU CG . 30812 1 434 . 1 . 1 40 40 LEU CD1 C 13 21.366 0.02 . . . . . . A 48 LEU CD1 . 30812 1 435 . 1 . 1 40 40 LEU CD2 C 13 21.366 0.02 . . . . . . A 48 LEU CD2 . 30812 1 436 . 1 . 1 40 40 LEU N N 15 123.722 0.05 . . . . . . A 48 LEU N . 30812 1 437 . 1 . 1 41 41 SER H H 1 9.435 0.01 . . . . . . A 49 SER H . 30812 1 438 . 1 . 1 41 41 SER HA H 1 4.134 0.01 . . . . . . A 49 SER HA . 30812 1 439 . 1 . 1 41 41 SER HB2 H 1 4.150 0.02 . . . . . . A 49 SER HB2 . 30812 1 440 . 1 . 1 41 41 SER HB3 H 1 4.150 0.02 . . . . . . A 49 SER HB3 . 30812 1 441 . 1 . 1 41 41 SER C C 13 176.682 0.00 . . . . . . A 49 SER C . 30812 1 442 . 1 . 1 41 41 SER CA C 13 58.287 0.05 . . . . . . A 49 SER CA . 30812 1 443 . 1 . 1 41 41 SER CB C 13 65.233 0.02 . . . . . . A 49 SER CB . 30812 1 444 . 1 . 1 41 41 SER N N 15 115.492 0.06 . . . . . . A 49 SER N . 30812 1 445 . 1 . 1 42 42 ALA H H 1 8.440 0.01 . . . . . . A 50 ALA H . 30812 1 446 . 1 . 1 42 42 ALA HA H 1 4.133 0.01 . . . . . . A 50 ALA HA . 30812 1 447 . 1 . 1 42 42 ALA HB1 H 1 1.489 0.01 . . . . . . A 50 ALA HB1 . 30812 1 448 . 1 . 1 42 42 ALA HB2 H 1 1.489 0.01 . . . . . . A 50 ALA HB2 . 30812 1 449 . 1 . 1 42 42 ALA HB3 H 1 1.489 0.01 . . . . . . A 50 ALA HB3 . 30812 1 450 . 1 . 1 42 42 ALA C C 13 179.652 0.00 . . . . . . A 50 ALA C . 30812 1 451 . 1 . 1 42 42 ALA CA C 13 54.825 0.04 . . . . . . A 50 ALA CA . 30812 1 452 . 1 . 1 42 42 ALA CB C 13 18.570 0.03 . . . . . . A 50 ALA CB . 30812 1 453 . 1 . 1 42 42 ALA N N 15 123.788 0.03 . . . . . . A 50 ALA N . 30812 1 454 . 1 . 1 43 43 SER H H 1 7.836 0.01 . . . . . . A 51 SER H . 30812 1 455 . 1 . 1 43 43 SER HA H 1 4.203 0.02 . . . . . . A 51 SER HA . 30812 1 456 . 1 . 1 43 43 SER HB2 H 1 3.874 0.00 . . . . . . A 51 SER HB2 . 30812 1 457 . 1 . 1 43 43 SER HB3 H 1 3.874 0.00 . . . . . . A 51 SER HB3 . 30812 1 458 . 1 . 1 43 43 SER C C 13 175.206 0.00 . . . . . . A 51 SER C . 30812 1 459 . 1 . 1 43 43 SER CA C 13 59.013 0.05 . . . . . . A 51 SER CA . 30812 1 460 . 1 . 1 43 43 SER CB C 13 63.430 0.03 . . . . . . A 51 SER CB . 30812 1 461 . 1 . 1 43 43 SER N N 15 110.759 0.04 . . . . . . A 51 SER N . 30812 1 462 . 1 . 1 44 44 LEU H H 1 8.547 0.01 . . . . . . A 52 LEU H . 30812 1 463 . 1 . 1 44 44 LEU HA H 1 3.664 0.02 . . . . . . A 52 LEU HA . 30812 1 464 . 1 . 1 44 44 LEU HB2 H 1 2.081 0.01 . . . . . . A 52 LEU HB2 . 30812 1 465 . 1 . 1 44 44 LEU HB3 H 1 1.483 0.01 . . . . . . A 52 LEU HB3 . 30812 1 466 . 1 . 1 44 44 LEU HG H 1 1.482 0.00 . . . . . . A 52 LEU HG . 30812 1 467 . 1 . 1 44 44 LEU HD11 H 1 0.870 0.00 . . . . . . A 52 LEU HD11 . 30812 1 468 . 1 . 1 44 44 LEU HD12 H 1 0.870 0.00 . . . . . . A 52 LEU HD12 . 30812 1 469 . 1 . 1 44 44 LEU HD13 H 1 0.870 0.00 . . . . . . A 52 LEU HD13 . 30812 1 470 . 1 . 1 44 44 LEU HD21 H 1 0.870 0.00 . . . . . . A 52 LEU HD21 . 30812 1 471 . 1 . 1 44 44 LEU HD22 H 1 0.870 0.00 . . . . . . A 52 LEU HD22 . 30812 1 472 . 1 . 1 44 44 LEU HD23 H 1 0.870 0.00 . . . . . . A 52 LEU HD23 . 30812 1 473 . 1 . 1 44 44 LEU C C 13 176.714 0.01 . . . . . . A 52 LEU C . 30812 1 474 . 1 . 1 44 44 LEU CA C 13 55.590 0.04 . . . . . . A 52 LEU CA . 30812 1 475 . 1 . 1 44 44 LEU CB C 13 38.255 0.05 . . . . . . A 52 LEU CB . 30812 1 476 . 1 . 1 44 44 LEU CG C 13 25.603 0.00 . . . . . . A 52 LEU CG . 30812 1 477 . 1 . 1 44 44 LEU CD1 C 13 22.936 0.00 . . . . . . A 52 LEU CD1 . 30812 1 478 . 1 . 1 44 44 LEU CD2 C 13 22.936 0.00 . . . . . . A 52 LEU CD2 . 30812 1 479 . 1 . 1 44 44 LEU N N 15 118.596 0.04 . . . . . . A 52 LEU N . 30812 1 480 . 1 . 1 45 45 SER H H 1 7.030 0.01 . . . . . . A 53 SER H . 30812 1 481 . 1 . 1 45 45 SER HA H 1 4.441 0.01 . . . . . . A 53 SER HA . 30812 1 482 . 1 . 1 45 45 SER HB2 H 1 3.735 0.01 . . . . . . A 53 SER HB2 . 30812 1 483 . 1 . 1 45 45 SER HB3 H 1 3.735 0.01 . . . . . . A 53 SER HB3 . 30812 1 484 . 1 . 1 45 45 SER C C 13 173.534 0.00 . . . . . . A 53 SER C . 30812 1 485 . 1 . 1 45 45 SER CA C 13 56.893 0.05 . . . . . . A 53 SER CA . 30812 1 486 . 1 . 1 45 45 SER CB C 13 63.228 0.00 . . . . . . A 53 SER CB . 30812 1 487 . 1 . 1 45 45 SER N N 15 115.807 0.04 . . . . . . A 53 SER N . 30812 1 488 . 1 . 1 46 46 PRO HA H 1 4.363 0.01 . . . . . . A 54 PRO HA . 30812 1 489 . 1 . 1 46 46 PRO HB2 H 1 2.239 0.01 . . . . . . A 54 PRO HB2 . 30812 1 490 . 1 . 1 46 46 PRO HB3 H 1 1.903 0.02 . . . . . . A 54 PRO HB3 . 30812 1 491 . 1 . 1 46 46 PRO HG2 H 1 1.976 0.01 . . . . . . A 54 PRO HG2 . 30812 1 492 . 1 . 1 46 46 PRO HG3 H 1 1.976 0.01 . . . . . . A 54 PRO HG3 . 30812 1 493 . 1 . 1 46 46 PRO HD2 H 1 3.606 0.01 . . . . . . A 54 PRO HD2 . 30812 1 494 . 1 . 1 46 46 PRO HD3 H 1 3.606 0.01 . . . . . . A 54 PRO HD3 . 30812 1 495 . 1 . 1 46 46 PRO C C 13 177.000 0.00 . . . . . . A 54 PRO C . 30812 1 496 . 1 . 1 46 46 PRO CA C 13 62.805 0.07 . . . . . . A 54 PRO CA . 30812 1 497 . 1 . 1 46 46 PRO CB C 13 32.619 0.12 . . . . . . A 54 PRO CB . 30812 1 498 . 1 . 1 46 46 PRO CG C 13 27.418 0.07 . . . . . . A 54 PRO CG . 30812 1 499 . 1 . 1 46 46 PRO CD C 13 51.088 0.01 . . . . . . A 54 PRO CD . 30812 1 500 . 1 . 1 47 47 VAL H H 1 8.091 0.01 . . . . . . A 55 VAL H . 30812 1 501 . 1 . 1 47 47 VAL HA H 1 3.786 0.02 . . . . . . A 55 VAL HA . 30812 1 502 . 1 . 1 47 47 VAL HB H 1 1.863 0.02 . . . . . . A 55 VAL HB . 30812 1 503 . 1 . 1 47 47 VAL HG11 H 1 0.874 0.02 . . . . . . A 55 VAL HG11 . 30812 1 504 . 1 . 1 47 47 VAL HG12 H 1 0.874 0.02 . . . . . . A 55 VAL HG12 . 30812 1 505 . 1 . 1 47 47 VAL HG13 H 1 0.874 0.02 . . . . . . A 55 VAL HG13 . 30812 1 506 . 1 . 1 47 47 VAL HG21 H 1 0.844 0.01 . . . . . . A 55 VAL HG21 . 30812 1 507 . 1 . 1 47 47 VAL HG22 H 1 0.844 0.01 . . . . . . A 55 VAL HG22 . 30812 1 508 . 1 . 1 47 47 VAL HG23 H 1 0.844 0.01 . . . . . . A 55 VAL HG23 . 30812 1 509 . 1 . 1 47 47 VAL C C 13 178.123 0.00 . . . . . . A 55 VAL C . 30812 1 510 . 1 . 1 47 47 VAL CA C 13 63.097 0.10 . . . . . . A 55 VAL CA . 30812 1 511 . 1 . 1 47 47 VAL CB C 13 32.202 0.16 . . . . . . A 55 VAL CB . 30812 1 512 . 1 . 1 47 47 VAL CG1 C 13 23.316 0.20 . . . . . . A 55 VAL CG1 . 30812 1 513 . 1 . 1 47 47 VAL CG2 C 13 23.270 0.17 . . . . . . A 55 VAL CG2 . 30812 1 514 . 1 . 1 47 47 VAL N N 15 118.100 0.05 . . . . . . A 55 VAL N . 30812 1 515 . 1 . 1 48 48 ILE H H 1 7.823 0.01 . . . . . . A 56 ILE H . 30812 1 516 . 1 . 1 48 48 ILE HA H 1 4.314 0.01 . . . . . . A 56 ILE HA . 30812 1 517 . 1 . 1 48 48 ILE HB H 1 1.766 0.01 . . . . . . A 56 ILE HB . 30812 1 518 . 1 . 1 48 48 ILE HG12 H 1 1.192 0.00 . . . . . . A 56 ILE HG12 . 30812 1 519 . 1 . 1 48 48 ILE HG13 H 1 1.192 0.00 . . . . . . A 56 ILE HG13 . 30812 1 520 . 1 . 1 48 48 ILE HG21 H 1 1.014 0.01 . . . . . . A 56 ILE HG21 . 30812 1 521 . 1 . 1 48 48 ILE HG22 H 1 1.014 0.01 . . . . . . A 56 ILE HG22 . 30812 1 522 . 1 . 1 48 48 ILE HG23 H 1 1.014 0.01 . . . . . . A 56 ILE HG23 . 30812 1 523 . 1 . 1 48 48 ILE HD11 H 1 0.616 0.00 . . . . . . A 56 ILE HD11 . 30812 1 524 . 1 . 1 48 48 ILE HD12 H 1 0.616 0.00 . . . . . . A 56 ILE HD12 . 30812 1 525 . 1 . 1 48 48 ILE HD13 H 1 0.616 0.00 . . . . . . A 56 ILE HD13 . 30812 1 526 . 1 . 1 48 48 ILE C C 13 174.235 0.00 . . . . . . A 56 ILE C . 30812 1 527 . 1 . 1 48 48 ILE CA C 13 59.593 0.09 . . . . . . A 56 ILE CA . 30812 1 528 . 1 . 1 48 48 ILE CB C 13 37.625 0.06 . . . . . . A 56 ILE CB . 30812 1 529 . 1 . 1 48 48 ILE CG1 C 13 27.068 0.03 . . . . . . A 56 ILE CG1 . 30812 1 530 . 1 . 1 48 48 ILE CG2 C 13 16.796 0.13 . . . . . . A 56 ILE CG2 . 30812 1 531 . 1 . 1 48 48 ILE CD1 C 13 13.021 0.03 . . . . . . A 56 ILE CD1 . 30812 1 532 . 1 . 1 48 48 ILE N N 15 127.434 0.05 . . . . . . A 56 ILE N . 30812 1 533 . 1 . 1 49 49 PRO HA H 1 4.331 0.01 . . . . . . A 57 PRO HA . 30812 1 534 . 1 . 1 49 49 PRO HB2 H 1 2.302 0.02 . . . . . . A 57 PRO HB2 . 30812 1 535 . 1 . 1 49 49 PRO HB3 H 1 2.302 0.02 . . . . . . A 57 PRO HB3 . 30812 1 536 . 1 . 1 49 49 PRO HG2 H 1 2.048 0.00 . . . . . . A 57 PRO HG2 . 30812 1 537 . 1 . 1 49 49 PRO HG3 H 1 2.048 0.00 . . . . . . A 57 PRO HG3 . 30812 1 538 . 1 . 1 49 49 PRO HD2 H 1 3.664 0.00 . . . . . . A 57 PRO HD2 . 30812 1 539 . 1 . 1 49 49 PRO HD3 H 1 3.664 0.00 . . . . . . A 57 PRO HD3 . 30812 1 540 . 1 . 1 49 49 PRO C C 13 178.201 0.00 . . . . . . A 57 PRO C . 30812 1 541 . 1 . 1 49 49 PRO CA C 13 64.236 0.28 . . . . . . A 57 PRO CA . 30812 1 542 . 1 . 1 49 49 PRO CB C 13 31.985 0.08 . . . . . . A 57 PRO CB . 30812 1 543 . 1 . 1 49 49 PRO CG C 13 27.419 0.04 . . . . . . A 57 PRO CG . 30812 1 544 . 1 . 1 49 49 PRO CD C 13 50.581 0.02 . . . . . . A 57 PRO CD . 30812 1 545 . 1 . 1 50 50 GLY H H 1 8.650 0.01 . . . . . . A 58 GLY H . 30812 1 546 . 1 . 1 50 50 GLY HA2 H 1 4.107 0.02 . . . . . . A 58 GLY HA2 . 30812 1 547 . 1 . 1 50 50 GLY HA3 H 1 3.437 0.01 . . . . . . A 58 GLY HA3 . 30812 1 548 . 1 . 1 50 50 GLY C C 13 174.178 0.01 . . . . . . A 58 GLY C . 30812 1 549 . 1 . 1 50 50 GLY CA C 13 44.516 0.03 . . . . . . A 58 GLY CA . 30812 1 550 . 1 . 1 50 50 GLY N N 15 111.359 0.04 . . . . . . A 58 GLY N . 30812 1 551 . 1 . 1 51 51 PHE H H 1 8.143 0.01 . . . . . . A 59 PHE H . 30812 1 552 . 1 . 1 51 51 PHE HA H 1 4.439 0.01 . . . . . . A 59 PHE HA . 30812 1 553 . 1 . 1 51 51 PHE HB2 H 1 3.277 0.01 . . . . . . A 59 PHE HB2 . 30812 1 554 . 1 . 1 51 51 PHE HB3 H 1 3.277 0.01 . . . . . . A 59 PHE HB3 . 30812 1 555 . 1 . 1 51 51 PHE C C 13 173.438 0.00 . . . . . . A 59 PHE C . 30812 1 556 . 1 . 1 51 51 PHE CA C 13 56.120 0.09 . . . . . . A 59 PHE CA . 30812 1 557 . 1 . 1 51 51 PHE CB C 13 39.661 0.02 . . . . . . A 59 PHE CB . 30812 1 558 . 1 . 1 51 51 PHE N N 15 118.613 0.04 . . . . . . A 59 PHE N . 30812 1 559 . 1 . 1 52 52 PRO HA H 1 5.380 0.01 . . . . . . A 60 PRO HA . 30812 1 560 . 1 . 1 52 52 PRO HB2 H 1 2.093 0.02 . . . . . . A 60 PRO HB2 . 30812 1 561 . 1 . 1 52 52 PRO HB3 H 1 1.689 0.02 . . . . . . A 60 PRO HB3 . 30812 1 562 . 1 . 1 52 52 PRO HG2 H 1 1.691 0.01 . . . . . . A 60 PRO HG2 . 30812 1 563 . 1 . 1 52 52 PRO HG3 H 1 1.691 0.01 . . . . . . A 60 PRO HG3 . 30812 1 564 . 1 . 1 52 52 PRO HD2 H 1 3.036 0.01 . . . . . . A 60 PRO HD2 . 30812 1 565 . 1 . 1 52 52 PRO HD3 H 1 3.036 0.01 . . . . . . A 60 PRO HD3 . 30812 1 566 . 1 . 1 52 52 PRO C C 13 175.039 0.00 . . . . . . A 60 PRO C . 30812 1 567 . 1 . 1 52 52 PRO CA C 13 60.883 0.05 . . . . . . A 60 PRO CA . 30812 1 568 . 1 . 1 52 52 PRO CB C 13 35.449 0.19 . . . . . . A 60 PRO CB . 30812 1 569 . 1 . 1 52 52 PRO CG C 13 24.875 0.00 . . . . . . A 60 PRO CG . 30812 1 570 . 1 . 1 52 52 PRO CD C 13 54.967 0.00 . . . . . . A 60 PRO CD . 30812 1 571 . 1 . 1 53 53 GLN H H 1 8.801 0.01 . . . . . . A 61 GLN H . 30812 1 572 . 1 . 1 53 53 GLN HA H 1 4.855 0.01 . . . . . . A 61 GLN HA . 30812 1 573 . 1 . 1 53 53 GLN HB2 H 1 2.069 0.01 . . . . . . A 61 GLN HB2 . 30812 1 574 . 1 . 1 53 53 GLN HB3 H 1 2.069 0.01 . . . . . . A 61 GLN HB3 . 30812 1 575 . 1 . 1 53 53 GLN HG2 H 1 2.241 0.00 . . . . . . A 61 GLN HG2 . 30812 1 576 . 1 . 1 53 53 GLN HG3 H 1 2.241 0.00 . . . . . . A 61 GLN HG3 . 30812 1 577 . 1 . 1 53 53 GLN HE22 H 1 7.253 0.00 . . . . . . A 61 GLN HE22 . 30812 1 578 . 1 . 1 53 53 GLN C C 13 175.048 0.01 . . . . . . A 61 GLN C . 30812 1 579 . 1 . 1 53 53 GLN CA C 13 53.982 0.15 . . . . . . A 61 GLN CA . 30812 1 580 . 1 . 1 53 53 GLN CB C 13 33.347 0.09 . . . . . . A 61 GLN CB . 30812 1 581 . 1 . 1 53 53 GLN CG C 13 34.858 0.07 . . . . . . A 61 GLN CG . 30812 1 582 . 1 . 1 53 53 GLN N N 15 116.070 0.06 . . . . . . A 61 GLN N . 30812 1 583 . 1 . 1 54 54 ILE H H 1 8.925 0.01 . . . . . . A 62 ILE H . 30812 1 584 . 1 . 1 54 54 ILE HA H 1 4.705 0.02 . . . . . . A 62 ILE HA . 30812 1 585 . 1 . 1 54 54 ILE HB H 1 1.909 0.01 . . . . . . A 62 ILE HB . 30812 1 586 . 1 . 1 54 54 ILE HG12 H 1 0.737 0.01 . . . . . . A 62 ILE HG12 . 30812 1 587 . 1 . 1 54 54 ILE HG13 H 1 0.694 0.02 . . . . . . A 62 ILE HG13 . 30812 1 588 . 1 . 1 54 54 ILE HG21 H 1 0.885 0.02 . . . . . . A 62 ILE HG21 . 30812 1 589 . 1 . 1 54 54 ILE HG22 H 1 0.885 0.02 . . . . . . A 62 ILE HG22 . 30812 1 590 . 1 . 1 54 54 ILE HG23 H 1 0.885 0.02 . . . . . . A 62 ILE HG23 . 30812 1 591 . 1 . 1 54 54 ILE HD11 H 1 0.832 0.01 . . . . . . A 62 ILE HD11 . 30812 1 592 . 1 . 1 54 54 ILE HD12 H 1 0.832 0.01 . . . . . . A 62 ILE HD12 . 30812 1 593 . 1 . 1 54 54 ILE HD13 H 1 0.832 0.01 . . . . . . A 62 ILE HD13 . 30812 1 594 . 1 . 1 54 54 ILE C C 13 177.372 0.00 . . . . . . A 62 ILE C . 30812 1 595 . 1 . 1 54 54 ILE CA C 13 61.485 0.14 . . . . . . A 62 ILE CA . 30812 1 596 . 1 . 1 54 54 ILE CB C 13 37.948 0.09 . . . . . . A 62 ILE CB . 30812 1 597 . 1 . 1 54 54 ILE CG1 C 13 28.499 0.04 . . . . . . A 62 ILE CG1 . 30812 1 598 . 1 . 1 54 54 ILE CG2 C 13 18.316 0.05 . . . . . . A 62 ILE CG2 . 30812 1 599 . 1 . 1 54 54 ILE CD1 C 13 15.110 0.05 . . . . . . A 62 ILE CD1 . 30812 1 600 . 1 . 1 54 54 ILE N N 15 124.173 0.04 . . . . . . A 62 ILE N . 30812 1 601 . 1 . 1 55 55 VAL H H 1 8.622 0.01 . . . . . . A 63 VAL H . 30812 1 602 . 1 . 1 55 55 VAL HA H 1 4.505 0.01 . . . . . . A 63 VAL HA . 30812 1 603 . 1 . 1 55 55 VAL HB H 1 2.203 0.01 . . . . . . A 63 VAL HB . 30812 1 604 . 1 . 1 55 55 VAL HG11 H 1 0.929 0.01 . . . . . . A 63 VAL HG11 . 30812 1 605 . 1 . 1 55 55 VAL HG12 H 1 0.929 0.01 . . . . . . A 63 VAL HG12 . 30812 1 606 . 1 . 1 55 55 VAL HG13 H 1 0.929 0.01 . . . . . . A 63 VAL HG13 . 30812 1 607 . 1 . 1 55 55 VAL HG21 H 1 0.801 0.02 . . . . . . A 63 VAL HG21 . 30812 1 608 . 1 . 1 55 55 VAL HG22 H 1 0.801 0.02 . . . . . . A 63 VAL HG22 . 30812 1 609 . 1 . 1 55 55 VAL HG23 H 1 0.801 0.02 . . . . . . A 63 VAL HG23 . 30812 1 610 . 1 . 1 55 55 VAL C C 13 175.651 0.01 . . . . . . A 63 VAL C . 30812 1 611 . 1 . 1 55 55 VAL CA C 13 61.430 0.12 . . . . . . A 63 VAL CA . 30812 1 612 . 1 . 1 55 55 VAL CB C 13 32.988 0.09 . . . . . . A 63 VAL CB . 30812 1 613 . 1 . 1 55 55 VAL CG1 C 13 21.745 0.03 . . . . . . A 63 VAL CG1 . 30812 1 614 . 1 . 1 55 55 VAL CG2 C 13 19.372 0.04 . . . . . . A 63 VAL CG2 . 30812 1 615 . 1 . 1 55 55 VAL N N 15 123.089 0.05 . . . . . . A 63 VAL N . 30812 1 616 . 1 . 1 56 56 ASN H H 1 7.604 0.01 . . . . . . A 64 ASN H . 30812 1 617 . 1 . 1 56 56 ASN HA H 1 4.813 0.02 . . . . . . A 64 ASN HA . 30812 1 618 . 1 . 1 56 56 ASN HB2 H 1 2.770 0.01 . . . . . . A 64 ASN HB2 . 30812 1 619 . 1 . 1 56 56 ASN HB3 H 1 2.556 0.01 . . . . . . A 64 ASN HB3 . 30812 1 620 . 1 . 1 56 56 ASN C C 13 173.190 0.00 . . . . . . A 64 ASN C . 30812 1 621 . 1 . 1 56 56 ASN CA C 13 52.962 0.09 . . . . . . A 64 ASN CA . 30812 1 622 . 1 . 1 56 56 ASN CB C 13 41.909 0.10 . . . . . . A 64 ASN CB . 30812 1 623 . 1 . 1 56 56 ASN N N 15 117.063 0.04 . . . . . . A 64 ASN N . 30812 1 624 . 1 . 1 57 57 SER H H 1 8.154 0.01 . . . . . . A 65 SER H . 30812 1 625 . 1 . 1 57 57 SER HA H 1 5.220 0.02 . . . . . . A 65 SER HA . 30812 1 626 . 1 . 1 57 57 SER HB2 H 1 3.907 0.01 . . . . . . A 65 SER HB2 . 30812 1 627 . 1 . 1 57 57 SER HB3 H 1 3.907 0.01 . . . . . . A 65 SER HB3 . 30812 1 628 . 1 . 1 57 57 SER C C 13 172.919 0.01 . . . . . . A 65 SER C . 30812 1 629 . 1 . 1 57 57 SER CA C 13 56.758 0.04 . . . . . . A 65 SER CA . 30812 1 630 . 1 . 1 57 57 SER CB C 13 65.817 0.03 . . . . . . A 65 SER CB . 30812 1 631 . 1 . 1 57 57 SER N N 15 114.368 0.04 . . . . . . A 65 SER N . 30812 1 632 . 1 . 1 58 58 ASN H H 1 8.455 0.00 . . . . . . A 66 ASN H . 30812 1 633 . 1 . 1 58 58 ASN HB2 H 1 2.879 0.01 . . . . . . A 66 ASN HB2 . 30812 1 634 . 1 . 1 58 58 ASN HB3 H 1 2.688 0.01 . . . . . . A 66 ASN HB3 . 30812 1 635 . 1 . 1 58 58 ASN C C 13 174.695 0.00 . . . . . . A 66 ASN C . 30812 1 636 . 1 . 1 58 58 ASN CA C 13 50.629 0.01 . . . . . . A 66 ASN CA . 30812 1 637 . 1 . 1 58 58 ASN CB C 13 42.395 0.07 . . . . . . A 66 ASN CB . 30812 1 638 . 1 . 1 58 58 ASN N N 15 118.147 0.05 . . . . . . A 66 ASN N . 30812 1 639 . 1 . 1 59 59 PRO HA H 1 3.929 0.02 . . . . . . A 67 PRO HA . 30812 1 640 . 1 . 1 59 59 PRO HB2 H 1 2.502 0.01 . . . . . . A 67 PRO HB2 . 30812 1 641 . 1 . 1 59 59 PRO HB3 H 1 2.126 0.01 . . . . . . A 67 PRO HB3 . 30812 1 642 . 1 . 1 59 59 PRO HG2 H 1 1.772 0.01 . . . . . . A 67 PRO HG2 . 30812 1 643 . 1 . 1 59 59 PRO HG3 H 1 1.772 0.01 . . . . . . A 67 PRO HG3 . 30812 1 644 . 1 . 1 59 59 PRO HD2 H 1 3.478 0.01 . . . . . . A 67 PRO HD2 . 30812 1 645 . 1 . 1 59 59 PRO HD3 H 1 3.478 0.01 . . . . . . A 67 PRO HD3 . 30812 1 646 . 1 . 1 59 59 PRO C C 13 174.932 0.00 . . . . . . A 67 PRO C . 30812 1 647 . 1 . 1 59 59 PRO CA C 13 63.708 0.13 . . . . . . A 67 PRO CA . 30812 1 648 . 1 . 1 59 59 PRO CB C 13 34.366 0.06 . . . . . . A 67 PRO CB . 30812 1 649 . 1 . 1 59 59 PRO CG C 13 25.832 0.04 . . . . . . A 67 PRO CG . 30812 1 650 . 1 . 1 59 59 PRO CD C 13 50.670 0.07 . . . . . . A 67 PRO CD . 30812 1 651 . 1 . 1 60 60 LEU H H 1 8.065 0.01 . . . . . . A 68 LEU H . 30812 1 652 . 1 . 1 60 60 LEU HA H 1 4.394 0.01 . . . . . . A 68 LEU HA . 30812 1 653 . 1 . 1 60 60 LEU HB2 H 1 1.600 0.01 . . . . . . A 68 LEU HB2 . 30812 1 654 . 1 . 1 60 60 LEU HB3 H 1 1.600 0.01 . . . . . . A 68 LEU HB3 . 30812 1 655 . 1 . 1 60 60 LEU HG H 1 1.625 0.02 . . . . . . A 68 LEU HG . 30812 1 656 . 1 . 1 60 60 LEU HD11 H 1 1.020 0.00 . . . . . . A 68 LEU HD11 . 30812 1 657 . 1 . 1 60 60 LEU HD12 H 1 1.020 0.00 . . . . . . A 68 LEU HD12 . 30812 1 658 . 1 . 1 60 60 LEU HD13 H 1 1.020 0.00 . . . . . . A 68 LEU HD13 . 30812 1 659 . 1 . 1 60 60 LEU HD21 H 1 1.015 0.00 . . . . . . A 68 LEU HD21 . 30812 1 660 . 1 . 1 60 60 LEU HD22 H 1 1.015 0.00 . . . . . . A 68 LEU HD22 . 30812 1 661 . 1 . 1 60 60 LEU HD23 H 1 1.015 0.00 . . . . . . A 68 LEU HD23 . 30812 1 662 . 1 . 1 60 60 LEU C C 13 178.844 0.00 . . . . . . A 68 LEU C . 30812 1 663 . 1 . 1 60 60 LEU CA C 13 56.173 0.03 . . . . . . A 68 LEU CA . 30812 1 664 . 1 . 1 60 60 LEU CB C 13 42.190 0.05 . . . . . . A 68 LEU CB . 30812 1 665 . 1 . 1 60 60 LEU CG C 13 27.198 0.07 . . . . . . A 68 LEU CG . 30812 1 666 . 1 . 1 60 60 LEU CD1 C 13 24.651 0.04 . . . . . . A 68 LEU CD1 . 30812 1 667 . 1 . 1 60 60 LEU CD2 C 13 24.692 0.07 . . . . . . A 68 LEU CD2 . 30812 1 668 . 1 . 1 60 60 LEU N N 15 119.359 0.12 . . . . . . A 68 LEU N . 30812 1 669 . 1 . 1 61 61 THR H H 1 8.466 0.02 . . . . . . A 69 THR H . 30812 1 670 . 1 . 1 61 61 THR HA H 1 4.908 0.02 . . . . . . A 69 THR HA . 30812 1 671 . 1 . 1 61 61 THR HB H 1 4.131 0.02 . . . . . . A 69 THR HB . 30812 1 672 . 1 . 1 61 61 THR HG21 H 1 1.022 0.02 . . . . . . A 69 THR HG21 . 30812 1 673 . 1 . 1 61 61 THR HG22 H 1 1.022 0.02 . . . . . . A 69 THR HG22 . 30812 1 674 . 1 . 1 61 61 THR HG23 H 1 1.022 0.02 . . . . . . A 69 THR HG23 . 30812 1 675 . 1 . 1 61 61 THR C C 13 173.854 0.04 . . . . . . A 69 THR C . 30812 1 676 . 1 . 1 61 61 THR CA C 13 59.925 0.03 . . . . . . A 69 THR CA . 30812 1 677 . 1 . 1 61 61 THR CB C 13 69.472 0.06 . . . . . . A 69 THR CB . 30812 1 678 . 1 . 1 61 61 THR N N 15 119.664 0.11 . . . . . . A 69 THR N . 30812 1 679 . 1 . 1 62 62 GLU H H 1 8.928 0.01 . . . . . . A 70 GLU H . 30812 1 680 . 1 . 1 62 62 GLU HA H 1 4.722 0.01 . . . . . . A 70 GLU HA . 30812 1 681 . 1 . 1 62 62 GLU HB2 H 1 2.348 0.02 . . . . . . A 70 GLU HB2 . 30812 1 682 . 1 . 1 62 62 GLU HB3 H 1 1.520 0.01 . . . . . . A 70 GLU HB3 . 30812 1 683 . 1 . 1 62 62 GLU HG2 H 1 2.207 0.00 . . . . . . A 70 GLU HG2 . 30812 1 684 . 1 . 1 62 62 GLU HG3 H 1 2.123 0.01 . . . . . . A 70 GLU HG3 . 30812 1 685 . 1 . 1 62 62 GLU C C 13 178.203 0.01 . . . . . . A 70 GLU C . 30812 1 686 . 1 . 1 62 62 GLU CA C 13 54.979 0.06 . . . . . . A 70 GLU CA . 30812 1 687 . 1 . 1 62 62 GLU CB C 13 30.295 0.05 . . . . . . A 70 GLU CB . 30812 1 688 . 1 . 1 62 62 GLU CG C 13 36.224 0.06 . . . . . . A 70 GLU CG . 30812 1 689 . 1 . 1 62 62 GLU N N 15 127.530 0.04 . . . . . . A 70 GLU N . 30812 1 690 . 1 . 1 63 63 ALA H H 1 8.688 0.01 . . . . . . A 71 ALA H . 30812 1 691 . 1 . 1 63 63 ALA HA H 1 3.546 0.01 . . . . . . A 71 ALA HA . 30812 1 692 . 1 . 1 63 63 ALA HB1 H 1 0.368 0.01 . . . . . . A 71 ALA HB1 . 30812 1 693 . 1 . 1 63 63 ALA HB2 H 1 0.368 0.01 . . . . . . A 71 ALA HB2 . 30812 1 694 . 1 . 1 63 63 ALA HB3 H 1 0.368 0.01 . . . . . . A 71 ALA HB3 . 30812 1 695 . 1 . 1 63 63 ALA C C 13 177.241 0.04 . . . . . . A 71 ALA C . 30812 1 696 . 1 . 1 63 63 ALA CA C 13 53.955 0.02 . . . . . . A 71 ALA CA . 30812 1 697 . 1 . 1 63 63 ALA CB C 13 18.958 0.06 . . . . . . A 71 ALA CB . 30812 1 698 . 1 . 1 63 63 ALA N N 15 122.849 0.05 . . . . . . A 71 ALA N . 30812 1 699 . 1 . 1 64 64 PHE H H 1 8.178 0.01 . . . . . . A 72 PHE H . 30812 1 700 . 1 . 1 64 64 PHE HA H 1 5.719 0.01 . . . . . . A 72 PHE HA . 30812 1 701 . 1 . 1 64 64 PHE HB2 H 1 2.770 0.02 . . . . . . A 72 PHE HB2 . 30812 1 702 . 1 . 1 64 64 PHE HB3 H 1 2.542 0.02 . . . . . . A 72 PHE HB3 . 30812 1 703 . 1 . 1 64 64 PHE C C 13 175.053 0.02 . . . . . . A 72 PHE C . 30812 1 704 . 1 . 1 64 64 PHE CA C 13 55.905 0.04 . . . . . . A 72 PHE CA . 30812 1 705 . 1 . 1 64 64 PHE CB C 13 42.950 0.03 . . . . . . A 72 PHE CB . 30812 1 706 . 1 . 1 64 64 PHE N N 15 115.673 0.04 . . . . . . A 72 PHE N . 30812 1 707 . 1 . 1 65 65 ARG H H 1 9.108 0.01 . . . . . . A 73 ARG H . 30812 1 708 . 1 . 1 65 65 ARG HA H 1 4.841 0.02 . . . . . . A 73 ARG HA . 30812 1 709 . 1 . 1 65 65 ARG HB2 H 1 1.919 0.01 . . . . . . A 73 ARG HB2 . 30812 1 710 . 1 . 1 65 65 ARG HB3 H 1 1.646 0.01 . . . . . . A 73 ARG HB3 . 30812 1 711 . 1 . 1 65 65 ARG HG2 H 1 1.343 0.00 . . . . . . A 73 ARG HG2 . 30812 1 712 . 1 . 1 65 65 ARG HG3 H 1 1.262 0.01 . . . . . . A 73 ARG HG3 . 30812 1 713 . 1 . 1 65 65 ARG HD2 H 1 3.210 0.00 . . . . . . A 73 ARG HD2 . 30812 1 714 . 1 . 1 65 65 ARG HD3 H 1 3.210 0.00 . . . . . . A 73 ARG HD3 . 30812 1 715 . 1 . 1 65 65 ARG C C 13 174.326 0.00 . . . . . . A 73 ARG C . 30812 1 716 . 1 . 1 65 65 ARG CA C 13 55.363 0.10 . . . . . . A 73 ARG CA . 30812 1 717 . 1 . 1 65 65 ARG CB C 13 33.484 0.10 . . . . . . A 73 ARG CB . 30812 1 718 . 1 . 1 65 65 ARG CG C 13 26.971 0.05 . . . . . . A 73 ARG CG . 30812 1 719 . 1 . 1 65 65 ARG CD C 13 43.096 0.07 . . . . . . A 73 ARG CD . 30812 1 720 . 1 . 1 65 65 ARG N N 15 117.599 0.05 . . . . . . A 73 ARG N . 30812 1 721 . 1 . 1 66 66 VAL H H 1 8.712 0.01 . . . . . . A 74 VAL H . 30812 1 722 . 1 . 1 66 66 VAL HA H 1 4.844 0.01 . . . . . . A 74 VAL HA . 30812 1 723 . 1 . 1 66 66 VAL HB H 1 2.171 0.01 . . . . . . A 74 VAL HB . 30812 1 724 . 1 . 1 66 66 VAL HG11 H 1 1.010 0.00 . . . . . . A 74 VAL HG11 . 30812 1 725 . 1 . 1 66 66 VAL HG12 H 1 1.010 0.00 . . . . . . A 74 VAL HG12 . 30812 1 726 . 1 . 1 66 66 VAL HG13 H 1 1.010 0.00 . . . . . . A 74 VAL HG13 . 30812 1 727 . 1 . 1 66 66 VAL HG21 H 1 0.990 0.00 . . . . . . A 74 VAL HG21 . 30812 1 728 . 1 . 1 66 66 VAL HG22 H 1 0.990 0.00 . . . . . . A 74 VAL HG22 . 30812 1 729 . 1 . 1 66 66 VAL HG23 H 1 0.990 0.00 . . . . . . A 74 VAL HG23 . 30812 1 730 . 1 . 1 66 66 VAL C C 13 175.666 0.00 . . . . . . A 74 VAL C . 30812 1 731 . 1 . 1 66 66 VAL CA C 13 62.465 0.09 . . . . . . A 74 VAL CA . 30812 1 732 . 1 . 1 66 66 VAL CB C 13 32.702 0.09 . . . . . . A 74 VAL CB . 30812 1 733 . 1 . 1 66 66 VAL CG1 C 13 22.880 0.00 . . . . . . A 74 VAL CG1 . 30812 1 734 . 1 . 1 66 66 VAL CG2 C 13 22.882 0.00 . . . . . . A 74 VAL CG2 . 30812 1 735 . 1 . 1 66 66 VAL N N 15 121.416 0.03 . . . . . . A 74 VAL N . 30812 1 736 . 1 . 1 67 67 ASN H H 1 9.727 0.01 . . . . . . A 75 ASN H . 30812 1 737 . 1 . 1 67 67 ASN HA H 1 5.295 0.01 . . . . . . A 75 ASN HA . 30812 1 738 . 1 . 1 67 67 ASN HB2 H 1 2.887 0.02 . . . . . . A 75 ASN HB2 . 30812 1 739 . 1 . 1 67 67 ASN HB3 H 1 2.561 0.02 . . . . . . A 75 ASN HB3 . 30812 1 740 . 1 . 1 67 67 ASN C C 13 174.776 0.00 . . . . . . A 75 ASN C . 30812 1 741 . 1 . 1 67 67 ASN CA C 13 51.455 0.05 . . . . . . A 75 ASN CA . 30812 1 742 . 1 . 1 67 67 ASN CB C 13 42.184 0.13 . . . . . . A 75 ASN CB . 30812 1 743 . 1 . 1 67 67 ASN N N 15 126.837 0.04 . . . . . . A 75 ASN N . 30812 1 744 . 1 . 1 68 68 TRP H H 1 8.850 0.01 . . . . . . A 76 TRP H . 30812 1 745 . 1 . 1 68 68 TRP HA H 1 4.551 0.01 . . . . . . A 76 TRP HA . 30812 1 746 . 1 . 1 68 68 TRP HB2 H 1 3.262 0.01 . . . . . . A 76 TRP HB2 . 30812 1 747 . 1 . 1 68 68 TRP HB3 H 1 3.262 0.01 . . . . . . A 76 TRP HB3 . 30812 1 748 . 1 . 1 68 68 TRP HE1 H 1 10.196 0.01 . . . . . . A 76 TRP HE1 . 30812 1 749 . 1 . 1 68 68 TRP C C 13 175.800 0.01 . . . . . . A 76 TRP C . 30812 1 750 . 1 . 1 68 68 TRP CA C 13 58.021 0.06 . . . . . . A 76 TRP CA . 30812 1 751 . 1 . 1 68 68 TRP CB C 13 28.951 0.03 . . . . . . A 76 TRP CB . 30812 1 752 . 1 . 1 68 68 TRP N N 15 125.899 0.06 . . . . . . A 76 TRP N . 30812 1 753 . 1 . 1 68 68 TRP NE1 N 15 130.293 0.02 . . . . . . A 76 TRP NE1 . 30812 1 754 . 1 . 1 69 69 LEU H H 1 7.757 0.01 . . . . . . A 77 LEU H . 30812 1 755 . 1 . 1 69 69 LEU HA H 1 4.136 0.01 . . . . . . A 77 LEU HA . 30812 1 756 . 1 . 1 69 69 LEU HB2 H 1 1.179 0.01 . . . . . . A 77 LEU HB2 . 30812 1 757 . 1 . 1 69 69 LEU HB3 H 1 1.179 0.01 . . . . . . A 77 LEU HB3 . 30812 1 758 . 1 . 1 69 69 LEU HG H 1 1.190 0.00 . . . . . . A 77 LEU HG . 30812 1 759 . 1 . 1 69 69 LEU HD11 H 1 0.659 0.00 . . . . . . A 77 LEU HD11 . 30812 1 760 . 1 . 1 69 69 LEU HD12 H 1 0.659 0.00 . . . . . . A 77 LEU HD12 . 30812 1 761 . 1 . 1 69 69 LEU HD13 H 1 0.659 0.00 . . . . . . A 77 LEU HD13 . 30812 1 762 . 1 . 1 69 69 LEU HD21 H 1 0.655 0.00 . . . . . . A 77 LEU HD21 . 30812 1 763 . 1 . 1 69 69 LEU HD22 H 1 0.655 0.00 . . . . . . A 77 LEU HD22 . 30812 1 764 . 1 . 1 69 69 LEU HD23 H 1 0.655 0.00 . . . . . . A 77 LEU HD23 . 30812 1 765 . 1 . 1 69 69 LEU C C 13 175.840 0.02 . . . . . . A 77 LEU C . 30812 1 766 . 1 . 1 69 69 LEU CA C 13 55.552 0.03 . . . . . . A 77 LEU CA . 30812 1 767 . 1 . 1 69 69 LEU CB C 13 42.157 0.03 . . . . . . A 77 LEU CB . 30812 1 768 . 1 . 1 69 69 LEU CG C 13 25.299 0.01 . . . . . . A 77 LEU CG . 30812 1 769 . 1 . 1 69 69 LEU CD1 C 13 22.791 0.04 . . . . . . A 77 LEU CD1 . 30812 1 770 . 1 . 1 69 69 LEU CD2 C 13 22.791 0.04 . . . . . . A 77 LEU CD2 . 30812 1 771 . 1 . 1 69 69 LEU N N 15 128.397 0.05 . . . . . . A 77 LEU N . 30812 1 772 . 1 . 1 70 70 SER H H 1 6.879 0.02 . . . . . . A 78 SER H . 30812 1 773 . 1 . 1 70 70 SER HA H 1 3.502 0.01 . . . . . . A 78 SER HA . 30812 1 774 . 1 . 1 70 70 SER HB2 H 1 3.637 0.02 . . . . . . A 78 SER HB2 . 30812 1 775 . 1 . 1 70 70 SER HB3 H 1 3.637 0.02 . . . . . . A 78 SER HB3 . 30812 1 776 . 1 . 1 70 70 SER C C 13 173.849 0.00 . . . . . . A 78 SER C . 30812 1 777 . 1 . 1 70 70 SER CA C 13 57.442 0.11 . . . . . . A 78 SER CA . 30812 1 778 . 1 . 1 70 70 SER CB C 13 63.316 0.03 . . . . . . A 78 SER CB . 30812 1 779 . 1 . 1 70 70 SER N N 15 110.833 0.06 . . . . . . A 78 SER N . 30812 1 780 . 1 . 1 71 71 GLY H H 1 9.024 0.01 . . . . . . A 79 GLY H . 30812 1 781 . 1 . 1 71 71 GLY HA2 H 1 4.075 0.01 . . . . . . A 79 GLY HA2 . 30812 1 782 . 1 . 1 71 71 GLY HA3 H 1 4.075 0.01 . . . . . . A 79 GLY HA3 . 30812 1 783 . 1 . 1 71 71 GLY C C 13 176.488 0.00 . . . . . . A 79 GLY C . 30812 1 784 . 1 . 1 71 71 GLY CA C 13 47.863 0.02 . . . . . . A 79 GLY CA . 30812 1 785 . 1 . 1 71 71 GLY N N 15 108.243 0.05 . . . . . . A 79 GLY N . 30812 1 786 . 1 . 1 72 72 THR H H 1 8.323 0.01 . . . . . . A 80 THR H . 30812 1 787 . 1 . 1 72 72 THR HA H 1 4.528 0.01 . . . . . . A 80 THR HA . 30812 1 788 . 1 . 1 72 72 THR HB H 1 5.002 0.01 . . . . . . A 80 THR HB . 30812 1 789 . 1 . 1 72 72 THR HG21 H 1 1.167 0.01 . . . . . . A 80 THR HG21 . 30812 1 790 . 1 . 1 72 72 THR HG22 H 1 1.167 0.01 . . . . . . A 80 THR HG22 . 30812 1 791 . 1 . 1 72 72 THR HG23 H 1 1.167 0.01 . . . . . . A 80 THR HG23 . 30812 1 792 . 1 . 1 72 72 THR C C 13 173.168 0.03 . . . . . . A 80 THR C . 30812 1 793 . 1 . 1 72 72 THR CA C 13 60.656 0.08 . . . . . . A 80 THR CA . 30812 1 794 . 1 . 1 72 72 THR CB C 13 68.102 0.04 . . . . . . A 80 THR CB . 30812 1 795 . 1 . 1 72 72 THR CG2 C 13 21.499 0.07 . . . . . . A 80 THR CG2 . 30812 1 796 . 1 . 1 72 72 THR N N 15 116.281 0.14 . . . . . . A 80 THR N . 30812 1 797 . 1 . 1 73 73 TYR H H 1 8.229 0.02 . . . . . . A 81 TYR H . 30812 1 798 . 1 . 1 73 73 TYR HA H 1 4.711 0.01 . . . . . . A 81 TYR HA . 30812 1 799 . 1 . 1 73 73 TYR HB2 H 1 2.893 0.02 . . . . . . A 81 TYR HB2 . 30812 1 800 . 1 . 1 73 73 TYR HB3 H 1 2.893 0.02 . . . . . . A 81 TYR HB3 . 30812 1 801 . 1 . 1 73 73 TYR C C 13 174.564 0.00 . . . . . . A 81 TYR C . 30812 1 802 . 1 . 1 73 73 TYR CA C 13 57.946 0.08 . . . . . . A 81 TYR CA . 30812 1 803 . 1 . 1 73 73 TYR CB C 13 39.892 0.07 . . . . . . A 81 TYR CB . 30812 1 804 . 1 . 1 73 73 TYR N N 15 121.382 0.05 . . . . . . A 81 TYR N . 30812 1 805 . 1 . 1 74 74 PHE H H 1 8.440 0.01 . . . . . . A 82 PHE H . 30812 1 806 . 1 . 1 74 74 PHE HA H 1 4.841 0.02 . . . . . . A 82 PHE HA . 30812 1 807 . 1 . 1 74 74 PHE HB2 H 1 2.506 0.02 . . . . . . A 82 PHE HB2 . 30812 1 808 . 1 . 1 74 74 PHE HB3 H 1 0.812 0.02 . . . . . . A 82 PHE HB3 . 30812 1 809 . 1 . 1 74 74 PHE C C 13 174.010 0.02 . . . . . . A 82 PHE C . 30812 1 810 . 1 . 1 74 74 PHE CA C 13 55.924 0.08 . . . . . . A 82 PHE CA . 30812 1 811 . 1 . 1 74 74 PHE CB C 13 44.787 0.02 . . . . . . A 82 PHE CB . 30812 1 812 . 1 . 1 74 74 PHE N N 15 119.864 0.06 . . . . . . A 82 PHE N . 30812 1 813 . 1 . 1 75 75 GLU H H 1 8.988 0.01 . . . . . . A 83 GLU H . 30812 1 814 . 1 . 1 75 75 GLU HA H 1 5.526 0.01 . . . . . . A 83 GLU HA . 30812 1 815 . 1 . 1 75 75 GLU HB2 H 1 2.010 0.01 . . . . . . A 83 GLU HB2 . 30812 1 816 . 1 . 1 75 75 GLU HB3 H 1 1.836 0.01 . . . . . . A 83 GLU HB3 . 30812 1 817 . 1 . 1 75 75 GLU HG2 H 1 2.157 0.00 . . . . . . A 83 GLU HG2 . 30812 1 818 . 1 . 1 75 75 GLU HG3 H 1 2.125 0.01 . . . . . . A 83 GLU HG3 . 30812 1 819 . 1 . 1 75 75 GLU C C 13 176.575 0.01 . . . . . . A 83 GLU C . 30812 1 820 . 1 . 1 75 75 GLU CA C 13 54.366 0.02 . . . . . . A 83 GLU CA . 30812 1 821 . 1 . 1 75 75 GLU CB C 13 32.859 0.06 . . . . . . A 83 GLU CB . 30812 1 822 . 1 . 1 75 75 GLU CG C 13 34.940 0.07 . . . . . . A 83 GLU CG . 30812 1 823 . 1 . 1 75 75 GLU N N 15 114.400 0.05 . . . . . . A 83 GLU N . 30812 1 824 . 1 . 1 76 76 VAL H H 1 9.066 0.01 . . . . . . A 84 VAL H . 30812 1 825 . 1 . 1 76 76 VAL HA H 1 5.055 0.01 . . . . . . A 84 VAL HA . 30812 1 826 . 1 . 1 76 76 VAL HB H 1 1.807 0.02 . . . . . . A 84 VAL HB . 30812 1 827 . 1 . 1 76 76 VAL HG11 H 1 1.050 0.02 . . . . . . A 84 VAL HG11 . 30812 1 828 . 1 . 1 76 76 VAL HG12 H 1 1.050 0.02 . . . . . . A 84 VAL HG12 . 30812 1 829 . 1 . 1 76 76 VAL HG13 H 1 1.050 0.02 . . . . . . A 84 VAL HG13 . 30812 1 830 . 1 . 1 76 76 VAL HG21 H 1 0.789 0.02 . . . . . . A 84 VAL HG21 . 30812 1 831 . 1 . 1 76 76 VAL HG22 H 1 0.789 0.02 . . . . . . A 84 VAL HG22 . 30812 1 832 . 1 . 1 76 76 VAL HG23 H 1 0.789 0.02 . . . . . . A 84 VAL HG23 . 30812 1 833 . 1 . 1 76 76 VAL C C 13 176.103 0.00 . . . . . . A 84 VAL C . 30812 1 834 . 1 . 1 76 76 VAL CA C 13 62.044 0.02 . . . . . . A 84 VAL CA . 30812 1 835 . 1 . 1 76 76 VAL CB C 13 32.861 0.09 . . . . . . A 84 VAL CB . 30812 1 836 . 1 . 1 76 76 VAL CG1 C 13 23.224 0.09 . . . . . . A 84 VAL CG1 . 30812 1 837 . 1 . 1 76 76 VAL CG2 C 13 21.867 0.25 . . . . . . A 84 VAL CG2 . 30812 1 838 . 1 . 1 76 76 VAL N N 15 122.440 0.04 . . . . . . A 84 VAL N . 30812 1 839 . 1 . 1 77 77 VAL H H 1 9.232 0.01 . . . . . . A 85 VAL H . 30812 1 840 . 1 . 1 77 77 VAL HA H 1 5.820 0.01 . . . . . . A 85 VAL HA . 30812 1 841 . 1 . 1 77 77 VAL HB H 1 1.823 0.02 . . . . . . A 85 VAL HB . 30812 1 842 . 1 . 1 77 77 VAL HG11 H 1 0.815 0.02 . . . . . . A 85 VAL HG11 . 30812 1 843 . 1 . 1 77 77 VAL HG12 H 1 0.815 0.02 . . . . . . A 85 VAL HG12 . 30812 1 844 . 1 . 1 77 77 VAL HG13 H 1 0.815 0.02 . . . . . . A 85 VAL HG13 . 30812 1 845 . 1 . 1 77 77 VAL HG21 H 1 0.720 0.01 . . . . . . A 85 VAL HG21 . 30812 1 846 . 1 . 1 77 77 VAL HG22 H 1 0.720 0.01 . . . . . . A 85 VAL HG22 . 30812 1 847 . 1 . 1 77 77 VAL HG23 H 1 0.720 0.01 . . . . . . A 85 VAL HG23 . 30812 1 848 . 1 . 1 77 77 VAL C C 13 177.204 0.01 . . . . . . A 85 VAL C . 30812 1 849 . 1 . 1 77 77 VAL CA C 13 57.839 0.04 . . . . . . A 85 VAL CA . 30812 1 850 . 1 . 1 77 77 VAL CB C 13 36.464 0.04 . . . . . . A 85 VAL CB . 30812 1 851 . 1 . 1 77 77 VAL CG1 C 13 21.855 0.10 . . . . . . A 85 VAL CG1 . 30812 1 852 . 1 . 1 77 77 VAL CG2 C 13 19.153 0.10 . . . . . . A 85 VAL CG2 . 30812 1 853 . 1 . 1 77 77 VAL N N 15 120.242 0.05 . . . . . . A 85 VAL N . 30812 1 854 . 1 . 1 78 78 THR H H 1 8.377 0.01 . . . . . . A 86 THR H . 30812 1 855 . 1 . 1 78 78 THR HA H 1 5.274 0.01 . . . . . . A 86 THR HA . 30812 1 856 . 1 . 1 78 78 THR HB H 1 4.541 0.01 . . . . . . A 86 THR HB . 30812 1 857 . 1 . 1 78 78 THR HG21 H 1 1.197 0.02 . . . . . . A 86 THR HG21 . 30812 1 858 . 1 . 1 78 78 THR HG22 H 1 1.197 0.02 . . . . . . A 86 THR HG22 . 30812 1 859 . 1 . 1 78 78 THR HG23 H 1 1.197 0.02 . . . . . . A 86 THR HG23 . 30812 1 860 . 1 . 1 78 78 THR C C 13 178.848 0.02 . . . . . . A 86 THR C . 30812 1 861 . 1 . 1 78 78 THR CA C 13 60.186 0.06 . . . . . . A 86 THR CA . 30812 1 862 . 1 . 1 78 78 THR CB C 13 69.661 0.08 . . . . . . A 86 THR CB . 30812 1 863 . 1 . 1 78 78 THR CG2 C 13 21.566 0.05 . . . . . . A 86 THR CG2 . 30812 1 864 . 1 . 1 78 78 THR N N 15 109.949 0.05 . . . . . . A 86 THR N . 30812 1 865 . 1 . 1 79 79 THR H H 1 8.478 0.01 . . . . . . A 87 THR H . 30812 1 866 . 1 . 1 79 79 THR HA H 1 4.327 0.02 . . . . . . A 87 THR HA . 30812 1 867 . 1 . 1 79 79 THR HB H 1 4.345 0.00 . . . . . . A 87 THR HB . 30812 1 868 . 1 . 1 79 79 THR HG21 H 1 1.012 0.01 . . . . . . A 87 THR HG21 . 30812 1 869 . 1 . 1 79 79 THR HG22 H 1 1.012 0.01 . . . . . . A 87 THR HG22 . 30812 1 870 . 1 . 1 79 79 THR HG23 H 1 1.012 0.01 . . . . . . A 87 THR HG23 . 30812 1 871 . 1 . 1 79 79 THR C C 13 176.963 0.05 . . . . . . A 87 THR C . 30812 1 872 . 1 . 1 79 79 THR CA C 13 61.587 0.05 . . . . . . A 87 THR CA . 30812 1 873 . 1 . 1 79 79 THR CB C 13 71.009 0.13 . . . . . . A 87 THR CB . 30812 1 874 . 1 . 1 79 79 THR N N 15 112.810 0.07 . . . . . . A 87 THR N . 30812 1 875 . 1 . 1 80 80 GLY H H 1 8.799 0.01 . . . . . . A 88 GLY H . 30812 1 876 . 1 . 1 80 80 GLY HA2 H 1 4.074 0.00 . . . . . . A 88 GLY HA2 . 30812 1 877 . 1 . 1 80 80 GLY HA3 H 1 3.958 0.02 . . . . . . A 88 GLY HA3 . 30812 1 878 . 1 . 1 80 80 GLY C C 13 175.239 0.02 . . . . . . A 88 GLY C . 30812 1 879 . 1 . 1 80 80 GLY CA C 13 45.308 0.04 . . . . . . A 88 GLY CA . 30812 1 880 . 1 . 1 80 80 GLY N N 15 109.585 0.09 . . . . . . A 88 GLY N . 30812 1 881 . 1 . 1 81 81 MET H H 1 8.083 0.01 . . . . . . A 89 MET H . 30812 1 882 . 1 . 1 81 81 MET HA H 1 4.246 0.01 . . . . . . A 89 MET HA . 30812 1 883 . 1 . 1 81 81 MET HB2 H 1 2.115 0.02 . . . . . . A 89 MET HB2 . 30812 1 884 . 1 . 1 81 81 MET HB3 H 1 2.115 0.02 . . . . . . A 89 MET HB3 . 30812 1 885 . 1 . 1 81 81 MET HG2 H 1 2.557 0.00 . . . . . . A 89 MET HG2 . 30812 1 886 . 1 . 1 81 81 MET HG3 H 1 2.433 0.01 . . . . . . A 89 MET HG3 . 30812 1 887 . 1 . 1 81 81 MET C C 13 176.047 0.05 . . . . . . A 89 MET C . 30812 1 888 . 1 . 1 81 81 MET CA C 13 56.313 0.05 . . . . . . A 89 MET CA . 30812 1 889 . 1 . 1 81 81 MET CB C 13 32.874 0.16 . . . . . . A 89 MET CB . 30812 1 890 . 1 . 1 81 81 MET CG C 13 32.622 0.07 . . . . . . A 89 MET CG . 30812 1 891 . 1 . 1 81 81 MET N N 15 117.325 0.04 . . . . . . A 89 MET N . 30812 1 892 . 1 . 1 82 82 GLU H H 1 6.797 0.01 . . . . . . A 90 GLU H . 30812 1 893 . 1 . 1 82 82 GLU HA H 1 4.323 0.02 . . . . . . A 90 GLU HA . 30812 1 894 . 1 . 1 82 82 GLU HB2 H 1 1.619 0.02 . . . . . . A 90 GLU HB2 . 30812 1 895 . 1 . 1 82 82 GLU HB3 H 1 1.619 0.02 . . . . . . A 90 GLU HB3 . 30812 1 896 . 1 . 1 82 82 GLU HG2 H 1 2.048 0.00 . . . . . . A 90 GLU HG2 . 30812 1 897 . 1 . 1 82 82 GLU HG3 H 1 2.032 0.00 . . . . . . A 90 GLU HG3 . 30812 1 898 . 1 . 1 82 82 GLU C C 13 175.265 0.01 . . . . . . A 90 GLU C . 30812 1 899 . 1 . 1 82 82 GLU CA C 13 54.656 0.04 . . . . . . A 90 GLU CA . 30812 1 900 . 1 . 1 82 82 GLU CB C 13 33.774 0.10 . . . . . . A 90 GLU CB . 30812 1 901 . 1 . 1 82 82 GLU CG C 13 36.246 0.06 . . . . . . A 90 GLU CG . 30812 1 902 . 1 . 1 82 82 GLU N N 15 115.569 0.06 . . . . . . A 90 GLU N . 30812 1 903 . 1 . 1 83 83 GLN H H 1 8.806 0.01 . . . . . . A 91 GLN H . 30812 1 904 . 1 . 1 83 83 GLN HA H 1 4.211 0.01 . . . . . . A 91 GLN HA . 30812 1 905 . 1 . 1 83 83 GLN HB2 H 1 2.047 0.01 . . . . . . A 91 GLN HB2 . 30812 1 906 . 1 . 1 83 83 GLN HB3 H 1 1.956 0.01 . . . . . . A 91 GLN HB3 . 30812 1 907 . 1 . 1 83 83 GLN HG2 H 1 2.325 0.00 . . . . . . A 91 GLN HG2 . 30812 1 908 . 1 . 1 83 83 GLN HG3 H 1 2.325 0.00 . . . . . . A 91 GLN HG3 . 30812 1 909 . 1 . 1 83 83 GLN C C 13 176.072 0.00 . . . . . . A 91 GLN C . 30812 1 910 . 1 . 1 83 83 GLN CA C 13 55.592 0.11 . . . . . . A 91 GLN CA . 30812 1 911 . 1 . 1 83 83 GLN CB C 13 29.347 0.07 . . . . . . A 91 GLN CB . 30812 1 912 . 1 . 1 83 83 GLN CG C 13 33.810 0.05 . . . . . . A 91 GLN CG . 30812 1 913 . 1 . 1 83 83 GLN N N 15 124.854 0.06 . . . . . . A 91 GLN N . 30812 1 914 . 1 . 1 84 84 LEU H H 1 8.592 0.01 . . . . . . A 92 LEU H . 30812 1 915 . 1 . 1 84 84 LEU HA H 1 4.718 0.02 . . . . . . A 92 LEU HA . 30812 1 916 . 1 . 1 84 84 LEU HB2 H 1 2.037 0.02 . . . . . . A 92 LEU HB2 . 30812 1 917 . 1 . 1 84 84 LEU HB3 H 1 2.037 0.02 . . . . . . A 92 LEU HB3 . 30812 1 918 . 1 . 1 84 84 LEU HG H 1 1.552 0.01 . . . . . . A 92 LEU HG . 30812 1 919 . 1 . 1 84 84 LEU HD11 H 1 0.719 0.00 . . . . . . A 92 LEU HD11 . 30812 1 920 . 1 . 1 84 84 LEU HD12 H 1 0.719 0.00 . . . . . . A 92 LEU HD12 . 30812 1 921 . 1 . 1 84 84 LEU HD13 H 1 0.719 0.00 . . . . . . A 92 LEU HD13 . 30812 1 922 . 1 . 1 84 84 LEU HD21 H 1 0.715 0.00 . . . . . . A 92 LEU HD21 . 30812 1 923 . 1 . 1 84 84 LEU HD22 H 1 0.715 0.00 . . . . . . A 92 LEU HD22 . 30812 1 924 . 1 . 1 84 84 LEU HD23 H 1 0.715 0.00 . . . . . . A 92 LEU HD23 . 30812 1 925 . 1 . 1 84 84 LEU C C 13 175.170 0.00 . . . . . . A 92 LEU C . 30812 1 926 . 1 . 1 84 84 LEU CA C 13 53.958 0.00 . . . . . . A 92 LEU CA . 30812 1 927 . 1 . 1 84 84 LEU CB C 13 42.739 0.16 . . . . . . A 92 LEU CB . 30812 1 928 . 1 . 1 84 84 LEU CG C 13 26.697 0.15 . . . . . . A 92 LEU CG . 30812 1 929 . 1 . 1 84 84 LEU CD1 C 13 23.045 0.04 . . . . . . A 92 LEU CD1 . 30812 1 930 . 1 . 1 84 84 LEU CD2 C 13 23.045 0.04 . . . . . . A 92 LEU CD2 . 30812 1 931 . 1 . 1 84 84 LEU N N 15 124.798 0.05 . . . . . . A 92 LEU N . 30812 1 932 . 1 . 1 85 85 ASP HA H 1 5.331 0.02 . . . . . . A 93 ASP HA . 30812 1 933 . 1 . 1 85 85 ASP HB2 H 1 2.826 0.02 . . . . . . A 93 ASP HB2 . 30812 1 934 . 1 . 1 85 85 ASP HB3 H 1 2.826 0.02 . . . . . . A 93 ASP HB3 . 30812 1 935 . 1 . 1 85 85 ASP CA C 13 52.266 0.12 . . . . . . A 93 ASP CA . 30812 1 936 . 1 . 1 85 85 ASP CB C 13 43.332 0.03 . . . . . . A 93 ASP CB . 30812 1 937 . 1 . 1 86 86 PHE H H 1 8.765 0.01 . . . . . . A 94 PHE H . 30812 1 938 . 1 . 1 86 86 PHE HA H 1 4.398 0.02 . . . . . . A 94 PHE HA . 30812 1 939 . 1 . 1 86 86 PHE HB2 H 1 2.909 0.02 . . . . . . A 94 PHE HB2 . 30812 1 940 . 1 . 1 86 86 PHE HB3 H 1 2.909 0.02 . . . . . . A 94 PHE HB3 . 30812 1 941 . 1 . 1 86 86 PHE C C 13 177.020 0.00 . . . . . . A 94 PHE C . 30812 1 942 . 1 . 1 86 86 PHE CA C 13 60.259 0.08 . . . . . . A 94 PHE CA . 30812 1 943 . 1 . 1 86 86 PHE CB C 13 41.317 0.08 . . . . . . A 94 PHE CB . 30812 1 944 . 1 . 1 86 86 PHE N N 15 129.138 0.08 . . . . . . A 94 PHE N . 30812 1 945 . 1 . 1 87 87 GLU H H 1 8.236 0.01 . . . . . . A 95 GLU H . 30812 1 946 . 1 . 1 87 87 GLU HA H 1 3.842 0.01 . . . . . . A 95 GLU HA . 30812 1 947 . 1 . 1 87 87 GLU HB2 H 1 1.770 0.00 . . . . . . A 95 GLU HB2 . 30812 1 948 . 1 . 1 87 87 GLU HB3 H 1 1.770 0.00 . . . . . . A 95 GLU HB3 . 30812 1 949 . 1 . 1 87 87 GLU HG2 H 1 2.048 0.00 . . . . . . A 95 GLU HG2 . 30812 1 950 . 1 . 1 87 87 GLU HG3 H 1 2.042 0.00 . . . . . . A 95 GLU HG3 . 30812 1 951 . 1 . 1 87 87 GLU C C 13 177.967 0.03 . . . . . . A 95 GLU C . 30812 1 952 . 1 . 1 87 87 GLU CA C 13 61.155 0.03 . . . . . . A 95 GLU CA . 30812 1 953 . 1 . 1 87 87 GLU CB C 13 27.917 0.09 . . . . . . A 95 GLU CB . 30812 1 954 . 1 . 1 87 87 GLU CG C 13 38.147 0.03 . . . . . . A 95 GLU CG . 30812 1 955 . 1 . 1 87 87 GLU N N 15 116.481 0.05 . . . . . . A 95 GLU N . 30812 1 956 . 1 . 1 88 88 THR H H 1 7.273 0.02 . . . . . . A 96 THR H . 30812 1 957 . 1 . 1 88 88 THR HA H 1 4.234 0.02 . . . . . . A 96 THR HA . 30812 1 958 . 1 . 1 88 88 THR HB H 1 4.149 0.01 . . . . . . A 96 THR HB . 30812 1 959 . 1 . 1 88 88 THR HG21 H 1 1.262 0.00 . . . . . . A 96 THR HG21 . 30812 1 960 . 1 . 1 88 88 THR HG22 H 1 1.262 0.00 . . . . . . A 96 THR HG22 . 30812 1 961 . 1 . 1 88 88 THR HG23 H 1 1.262 0.00 . . . . . . A 96 THR HG23 . 30812 1 962 . 1 . 1 88 88 THR C C 13 176.484 0.00 . . . . . . A 96 THR C . 30812 1 963 . 1 . 1 88 88 THR CA C 13 63.521 0.08 . . . . . . A 96 THR CA . 30812 1 964 . 1 . 1 88 88 THR CB C 13 69.935 0.03 . . . . . . A 96 THR CB . 30812 1 965 . 1 . 1 88 88 THR N N 15 111.187 0.05 . . . . . . A 96 THR N . 30812 1 966 . 1 . 1 89 89 GLY H H 1 7.899 0.01 . . . . . . A 97 GLY H . 30812 1 967 . 1 . 1 89 89 GLY HA2 H 1 3.910 0.01 . . . . . . A 97 GLY HA2 . 30812 1 968 . 1 . 1 89 89 GLY HA3 H 1 3.420 0.01 . . . . . . A 97 GLY HA3 . 30812 1 969 . 1 . 1 89 89 GLY C C 13 171.794 0.00 . . . . . . A 97 GLY C . 30812 1 970 . 1 . 1 89 89 GLY CA C 13 43.956 0.01 . . . . . . A 97 GLY CA . 30812 1 971 . 1 . 1 89 89 GLY N N 15 109.750 0.07 . . . . . . A 97 GLY N . 30812 1 972 . 1 . 1 90 90 PRO HA H 1 4.776 0.01 . . . . . . A 98 PRO HA . 30812 1 973 . 1 . 1 90 90 PRO HB2 H 1 1.856 0.01 . . . . . . A 98 PRO HB2 . 30812 1 974 . 1 . 1 90 90 PRO HB3 H 1 1.856 0.01 . . . . . . A 98 PRO HB3 . 30812 1 975 . 1 . 1 90 90 PRO HG2 H 1 1.885 0.01 . . . . . . A 98 PRO HG2 . 30812 1 976 . 1 . 1 90 90 PRO HG3 H 1 1.885 0.01 . . . . . . A 98 PRO HG3 . 30812 1 977 . 1 . 1 90 90 PRO HD2 H 1 3.596 0.00 . . . . . . A 98 PRO HD2 . 30812 1 978 . 1 . 1 90 90 PRO HD3 H 1 3.596 0.00 . . . . . . A 98 PRO HD3 . 30812 1 979 . 1 . 1 90 90 PRO C C 13 176.077 0.00 . . . . . . A 98 PRO C . 30812 1 980 . 1 . 1 90 90 PRO CA C 13 61.722 0.14 . . . . . . A 98 PRO CA . 30812 1 981 . 1 . 1 90 90 PRO CB C 13 34.267 0.08 . . . . . . A 98 PRO CB . 30812 1 982 . 1 . 1 90 90 PRO CG C 13 27.814 0.17 . . . . . . A 98 PRO CG . 30812 1 983 . 1 . 1 90 90 PRO CD C 13 50.633 0.06 . . . . . . A 98 PRO CD . 30812 1 984 . 1 . 1 91 91 ASN H H 1 8.496 0.01 . . . . . . A 99 ASN H . 30812 1 985 . 1 . 1 91 91 ASN HA H 1 4.843 0.02 . . . . . . A 99 ASN HA . 30812 1 986 . 1 . 1 91 91 ASN HB2 H 1 2.626 0.01 . . . . . . A 99 ASN HB2 . 30812 1 987 . 1 . 1 91 91 ASN HB3 H 1 2.626 0.01 . . . . . . A 99 ASN HB3 . 30812 1 988 . 1 . 1 91 91 ASN C C 13 174.740 0.00 . . . . . . A 99 ASN C . 30812 1 989 . 1 . 1 91 91 ASN CA C 13 52.468 0.16 . . . . . . A 99 ASN CA . 30812 1 990 . 1 . 1 91 91 ASN CB C 13 40.254 0.01 . . . . . . A 99 ASN CB . 30812 1 991 . 1 . 1 91 91 ASN N N 15 116.026 0.08 . . . . . . A 99 ASN N . 30812 1 992 . 1 . 1 92 92 ILE H H 1 6.638 0.02 . . . . . . A 100 ILE H . 30812 1 993 . 1 . 1 92 92 ILE HA H 1 5.248 0.01 . . . . . . A 100 ILE HA . 30812 1 994 . 1 . 1 92 92 ILE HB H 1 1.542 0.02 . . . . . . A 100 ILE HB . 30812 1 995 . 1 . 1 92 92 ILE HG12 H 1 1.457 0.01 . . . . . . A 100 ILE HG12 . 30812 1 996 . 1 . 1 92 92 ILE HG13 H 1 1.457 0.01 . . . . . . A 100 ILE HG13 . 30812 1 997 . 1 . 1 92 92 ILE HG21 H 1 1.031 0.02 . . . . . . A 100 ILE HG21 . 30812 1 998 . 1 . 1 92 92 ILE HG22 H 1 1.031 0.02 . . . . . . A 100 ILE HG22 . 30812 1 999 . 1 . 1 92 92 ILE HG23 H 1 1.031 0.02 . . . . . . A 100 ILE HG23 . 30812 1 1000 . 1 . 1 92 92 ILE HD11 H 1 0.831 0.00 . . . . . . A 100 ILE HD11 . 30812 1 1001 . 1 . 1 92 92 ILE HD12 H 1 0.831 0.00 . . . . . . A 100 ILE HD12 . 30812 1 1002 . 1 . 1 92 92 ILE HD13 H 1 0.831 0.00 . . . . . . A 100 ILE HD13 . 30812 1 1003 . 1 . 1 92 92 ILE C C 13 175.187 0.02 . . . . . . A 100 ILE C . 30812 1 1004 . 1 . 1 92 92 ILE CA C 13 59.801 0.13 . . . . . . A 100 ILE CA . 30812 1 1005 . 1 . 1 92 92 ILE CB C 13 40.933 0.07 . . . . . . A 100 ILE CB . 30812 1 1006 . 1 . 1 92 92 ILE CG1 C 13 27.762 0.04 . . . . . . A 100 ILE CG1 . 30812 1 1007 . 1 . 1 92 92 ILE CG2 C 13 16.925 0.05 . . . . . . A 100 ILE CG2 . 30812 1 1008 . 1 . 1 92 92 ILE CD1 C 13 13.391 0.05 . . . . . . A 100 ILE CD1 . 30812 1 1009 . 1 . 1 92 92 ILE N N 15 118.522 0.04 . . . . . . A 100 ILE N . 30812 1 1010 . 1 . 1 93 93 PHE H H 1 8.974 0.01 . . . . . . A 101 PHE H . 30812 1 1011 . 1 . 1 93 93 PHE HA H 1 5.151 0.02 . . . . . . A 101 PHE HA . 30812 1 1012 . 1 . 1 93 93 PHE HB2 H 1 2.709 0.02 . . . . . . A 101 PHE HB2 . 30812 1 1013 . 1 . 1 93 93 PHE HB3 H 1 2.548 0.01 . . . . . . A 101 PHE HB3 . 30812 1 1014 . 1 . 1 93 93 PHE C C 13 175.180 0.01 . . . . . . A 101 PHE C . 30812 1 1015 . 1 . 1 93 93 PHE CA C 13 55.982 0.05 . . . . . . A 101 PHE CA . 30812 1 1016 . 1 . 1 93 93 PHE CB C 13 43.553 0.03 . . . . . . A 101 PHE CB . 30812 1 1017 . 1 . 1 93 93 PHE N N 15 122.563 0.08 . . . . . . A 101 PHE N . 30812 1 1018 . 1 . 1 94 94 ASP H H 1 8.865 0.01 . . . . . . A 102 ASP H . 30812 1 1019 . 1 . 1 94 94 ASP HA H 1 5.268 0.02 . . . . . . A 102 ASP HA . 30812 1 1020 . 1 . 1 94 94 ASP HB2 H 1 2.672 0.01 . . . . . . A 102 ASP HB2 . 30812 1 1021 . 1 . 1 94 94 ASP HB3 H 1 2.318 0.02 . . . . . . A 102 ASP HB3 . 30812 1 1022 . 1 . 1 94 94 ASP C C 13 176.429 0.00 . . . . . . A 102 ASP C . 30812 1 1023 . 1 . 1 94 94 ASP CA C 13 53.830 0.04 . . . . . . A 102 ASP CA . 30812 1 1024 . 1 . 1 94 94 ASP CB C 13 42.438 0.03 . . . . . . A 102 ASP CB . 30812 1 1025 . 1 . 1 94 94 ASP N N 15 122.128 0.08 . . . . . . A 102 ASP N . 30812 1 1026 . 1 . 1 95 95 LEU H H 1 9.465 0.01 . . . . . . A 103 LEU H . 30812 1 1027 . 1 . 1 95 95 LEU HA H 1 4.723 0.02 . . . . . . A 103 LEU HA . 30812 1 1028 . 1 . 1 95 95 LEU HB2 H 1 1.580 0.01 . . . . . . A 103 LEU HB2 . 30812 1 1029 . 1 . 1 95 95 LEU HB3 H 1 1.580 0.01 . . . . . . A 103 LEU HB3 . 30812 1 1030 . 1 . 1 95 95 LEU HG H 1 1.578 0.01 . . . . . . A 103 LEU HG . 30812 1 1031 . 1 . 1 95 95 LEU HD11 H 1 0.883 0.01 . . . . . . A 103 LEU HD11 . 30812 1 1032 . 1 . 1 95 95 LEU HD12 H 1 0.883 0.01 . . . . . . A 103 LEU HD12 . 30812 1 1033 . 1 . 1 95 95 LEU HD13 H 1 0.883 0.01 . . . . . . A 103 LEU HD13 . 30812 1 1034 . 1 . 1 95 95 LEU HD21 H 1 0.845 0.00 . . . . . . A 103 LEU HD21 . 30812 1 1035 . 1 . 1 95 95 LEU HD22 H 1 0.845 0.00 . . . . . . A 103 LEU HD22 . 30812 1 1036 . 1 . 1 95 95 LEU HD23 H 1 0.845 0.00 . . . . . . A 103 LEU HD23 . 30812 1 1037 . 1 . 1 95 95 LEU C C 13 175.847 0.03 . . . . . . A 103 LEU C . 30812 1 1038 . 1 . 1 95 95 LEU CA C 13 53.084 0.09 . . . . . . A 103 LEU CA . 30812 1 1039 . 1 . 1 95 95 LEU CB C 13 42.725 0.11 . . . . . . A 103 LEU CB . 30812 1 1040 . 1 . 1 95 95 LEU CG C 13 26.492 0.19 . . . . . . A 103 LEU CG . 30812 1 1041 . 1 . 1 95 95 LEU CD1 C 13 23.493 0.02 . . . . . . A 103 LEU CD1 . 30812 1 1042 . 1 . 1 95 95 LEU CD2 C 13 23.493 0.02 . . . . . . A 103 LEU CD2 . 30812 1 1043 . 1 . 1 95 95 LEU N N 15 125.128 0.04 . . . . . . A 103 LEU N . 30812 1 1044 . 1 . 1 96 96 GLN H H 1 8.488 0.01 . . . . . . A 104 GLN H . 30812 1 1045 . 1 . 1 96 96 GLN HA H 1 4.230 0.02 . . . . . . A 104 GLN HA . 30812 1 1046 . 1 . 1 96 96 GLN HB2 H 1 1.968 0.01 . . . . . . A 104 GLN HB2 . 30812 1 1047 . 1 . 1 96 96 GLN HB3 H 1 1.756 0.02 . . . . . . A 104 GLN HB3 . 30812 1 1048 . 1 . 1 96 96 GLN HG2 H 1 2.330 0.01 . . . . . . A 104 GLN HG2 . 30812 1 1049 . 1 . 1 96 96 GLN HG3 H 1 2.330 0.01 . . . . . . A 104 GLN HG3 . 30812 1 1050 . 1 . 1 96 96 GLN C C 13 174.699 0.01 . . . . . . A 104 GLN C . 30812 1 1051 . 1 . 1 96 96 GLN CA C 13 56.114 0.11 . . . . . . A 104 GLN CA . 30812 1 1052 . 1 . 1 96 96 GLN CB C 13 28.950 0.12 . . . . . . A 104 GLN CB . 30812 1 1053 . 1 . 1 96 96 GLN CG C 13 33.712 0.05 . . . . . . A 104 GLN CG . 30812 1 1054 . 1 . 1 96 96 GLN N N 15 122.373 0.04 . . . . . . A 104 GLN N . 30812 1 1055 . 1 . 1 97 97 ILE H H 1 8.837 0.01 . . . . . . A 105 ILE H . 30812 1 1056 . 1 . 1 97 97 ILE HA H 1 4.467 0.02 . . . . . . A 105 ILE HA . 30812 1 1057 . 1 . 1 97 97 ILE HB H 1 1.598 0.02 . . . . . . A 105 ILE HB . 30812 1 1058 . 1 . 1 97 97 ILE HG12 H 1 1.194 0.02 . . . . . . A 105 ILE HG12 . 30812 1 1059 . 1 . 1 97 97 ILE HG13 H 1 1.194 0.02 . . . . . . A 105 ILE HG13 . 30812 1 1060 . 1 . 1 97 97 ILE HG21 H 1 0.385 0.01 . . . . . . A 105 ILE HG21 . 30812 1 1061 . 1 . 1 97 97 ILE HG22 H 1 0.385 0.01 . . . . . . A 105 ILE HG22 . 30812 1 1062 . 1 . 1 97 97 ILE HG23 H 1 0.385 0.01 . . . . . . A 105 ILE HG23 . 30812 1 1063 . 1 . 1 97 97 ILE HD11 H 1 0.347 0.01 . . . . . . A 105 ILE HD11 . 30812 1 1064 . 1 . 1 97 97 ILE HD12 H 1 0.347 0.01 . . . . . . A 105 ILE HD12 . 30812 1 1065 . 1 . 1 97 97 ILE HD13 H 1 0.347 0.01 . . . . . . A 105 ILE HD13 . 30812 1 1066 . 1 . 1 97 97 ILE C C 13 173.284 0.00 . . . . . . A 105 ILE C . 30812 1 1067 . 1 . 1 97 97 ILE CA C 13 60.696 0.08 . . . . . . A 105 ILE CA . 30812 1 1068 . 1 . 1 97 97 ILE CB C 13 37.124 0.07 . . . . . . A 105 ILE CB . 30812 1 1069 . 1 . 1 97 97 ILE CG1 C 13 28.342 0.06 . . . . . . A 105 ILE CG1 . 30812 1 1070 . 1 . 1 97 97 ILE CG2 C 13 18.133 0.07 . . . . . . A 105 ILE CG2 . 30812 1 1071 . 1 . 1 97 97 ILE CD1 C 13 13.316 0.03 . . . . . . A 105 ILE CD1 . 30812 1 1072 . 1 . 1 97 97 ILE N N 15 127.193 0.05 . . . . . . A 105 ILE N . 30812 1 1073 . 1 . 1 98 98 TYR H H 1 8.826 0.01 . . . . . . A 106 TYR H . 30812 1 1074 . 1 . 1 98 98 TYR HA H 1 5.783 0.01 . . . . . . A 106 TYR HA . 30812 1 1075 . 1 . 1 98 98 TYR HB2 H 1 2.930 0.01 . . . . . . A 106 TYR HB2 . 30812 1 1076 . 1 . 1 98 98 TYR HB3 H 1 2.930 0.01 . . . . . . A 106 TYR HB3 . 30812 1 1077 . 1 . 1 98 98 TYR C C 13 175.039 0.01 . . . . . . A 106 TYR C . 30812 1 1078 . 1 . 1 98 98 TYR CA C 13 54.422 0.04 . . . . . . A 106 TYR CA . 30812 1 1079 . 1 . 1 98 98 TYR CB C 13 45.486 0.05 . . . . . . A 106 TYR CB . 30812 1 1080 . 1 . 1 98 98 TYR N N 15 128.445 0.06 . . . . . . A 106 TYR N . 30812 1 1081 . 1 . 1 99 99 VAL H H 1 8.646 0.01 . . . . . . A 107 VAL H . 30812 1 1082 . 1 . 1 99 99 VAL HA H 1 4.415 0.01 . . . . . . A 107 VAL HA . 30812 1 1083 . 1 . 1 99 99 VAL HB H 1 1.655 0.02 . . . . . . A 107 VAL HB . 30812 1 1084 . 1 . 1 99 99 VAL HG11 H 1 0.840 0.02 . . . . . . A 107 VAL HG11 . 30812 1 1085 . 1 . 1 99 99 VAL HG12 H 1 0.840 0.02 . . . . . . A 107 VAL HG12 . 30812 1 1086 . 1 . 1 99 99 VAL HG13 H 1 0.840 0.02 . . . . . . A 107 VAL HG13 . 30812 1 1087 . 1 . 1 99 99 VAL HG21 H 1 0.726 0.01 . . . . . . A 107 VAL HG21 . 30812 1 1088 . 1 . 1 99 99 VAL HG22 H 1 0.726 0.01 . . . . . . A 107 VAL HG22 . 30812 1 1089 . 1 . 1 99 99 VAL HG23 H 1 0.726 0.01 . . . . . . A 107 VAL HG23 . 30812 1 1090 . 1 . 1 99 99 VAL CA C 13 59.939 0.07 . . . . . . A 107 VAL CA . 30812 1 1091 . 1 . 1 99 99 VAL CB C 13 36.886 0.03 . . . . . . A 107 VAL CB . 30812 1 1092 . 1 . 1 99 99 VAL CG1 C 13 23.710 0.09 . . . . . . A 107 VAL CG1 . 30812 1 1093 . 1 . 1 99 99 VAL CG2 C 13 19.332 0.12 . . . . . . A 107 VAL CG2 . 30812 1 1094 . 1 . 1 99 99 VAL N N 15 124.547 0.07 . . . . . . A 107 VAL N . 30812 1 1095 . 1 . 1 100 100 LYS H H 1 8.171 0.01 . . . . . . A 108 LYS H . 30812 1 1096 . 1 . 1 100 100 LYS HA H 1 5.034 0.01 . . . . . . A 108 LYS HA . 30812 1 1097 . 1 . 1 100 100 LYS HB2 H 1 0.696 0.02 . . . . . . A 108 LYS HB2 . 30812 1 1098 . 1 . 1 100 100 LYS HB3 H 1 0.479 0.01 . . . . . . A 108 LYS HB3 . 30812 1 1099 . 1 . 1 100 100 LYS HG2 H 1 0.713 0.02 . . . . . . A 108 LYS HG2 . 30812 1 1100 . 1 . 1 100 100 LYS HG3 H 1 0.488 0.01 . . . . . . A 108 LYS HG3 . 30812 1 1101 . 1 . 1 100 100 LYS HD2 H 1 1.262 0.00 . . . . . . A 108 LYS HD2 . 30812 1 1102 . 1 . 1 100 100 LYS HD3 H 1 1.262 0.00 . . . . . . A 108 LYS HD3 . 30812 1 1103 . 1 . 1 100 100 LYS HE2 H 1 2.597 0.01 . . . . . . A 108 LYS HE2 . 30812 1 1104 . 1 . 1 100 100 LYS HE3 H 1 2.597 0.01 . . . . . . A 108 LYS HE3 . 30812 1 1105 . 1 . 1 100 100 LYS C C 13 174.675 0.02 . . . . . . A 108 LYS C . 30812 1 1106 . 1 . 1 100 100 LYS CA C 13 53.991 0.05 . . . . . . A 108 LYS CA . 30812 1 1107 . 1 . 1 100 100 LYS CB C 13 36.447 0.06 . . . . . . A 108 LYS CB . 30812 1 1108 . 1 . 1 100 100 LYS CG C 13 23.120 0.12 . . . . . . A 108 LYS CG . 30812 1 1109 . 1 . 1 100 100 LYS CD C 13 29.517 0.07 . . . . . . A 108 LYS CD . 30812 1 1110 . 1 . 1 100 100 LYS CE C 13 41.771 0.09 . . . . . . A 108 LYS CE . 30812 1 1111 . 1 . 1 100 100 LYS N N 15 115.783 0.10 . . . . . . A 108 LYS N . 30812 1 1112 . 1 . 1 101 101 ASP H H 1 8.039 0.01 . . . . . . A 109 ASP H . 30812 1 1113 . 1 . 1 101 101 ASP HA H 1 5.187 0.01 . . . . . . A 109 ASP HA . 30812 1 1114 . 1 . 1 101 101 ASP HB2 H 1 2.801 0.02 . . . . . . A 109 ASP HB2 . 30812 1 1115 . 1 . 1 101 101 ASP HB3 H 1 2.246 0.01 . . . . . . A 109 ASP HB3 . 30812 1 1116 . 1 . 1 101 101 ASP C C 13 179.392 0.00 . . . . . . A 109 ASP C . 30812 1 1117 . 1 . 1 101 101 ASP CA C 13 52.117 0.02 . . . . . . A 109 ASP CA . 30812 1 1118 . 1 . 1 101 101 ASP CB C 13 43.283 0.03 . . . . . . A 109 ASP CB . 30812 1 1119 . 1 . 1 101 101 ASP N N 15 123.666 0.04 . . . . . . A 109 ASP N . 30812 1 1120 . 1 . 1 102 102 GLU H H 1 7.778 0.01 . . . . . . A 110 GLU H . 30812 1 1121 . 1 . 1 102 102 GLU HA H 1 3.830 0.02 . . . . . . A 110 GLU HA . 30812 1 1122 . 1 . 1 102 102 GLU HB2 H 1 2.039 0.01 . . . . . . A 110 GLU HB2 . 30812 1 1123 . 1 . 1 102 102 GLU HB3 H 1 1.846 0.01 . . . . . . A 110 GLU HB3 . 30812 1 1124 . 1 . 1 102 102 GLU HG2 H 1 2.406 0.00 . . . . . . A 110 GLU HG2 . 30812 1 1125 . 1 . 1 102 102 GLU HG3 H 1 2.237 0.01 . . . . . . A 110 GLU HG3 . 30812 1 1126 . 1 . 1 102 102 GLU C C 13 178.974 0.00 . . . . . . A 110 GLU C . 30812 1 1127 . 1 . 1 102 102 GLU CA C 13 59.020 0.02 . . . . . . A 110 GLU CA . 30812 1 1128 . 1 . 1 102 102 GLU CB C 13 30.340 0.06 . . . . . . A 110 GLU CB . 30812 1 1129 . 1 . 1 102 102 GLU CG C 13 36.970 0.05 . . . . . . A 110 GLU CG . 30812 1 1130 . 1 . 1 102 102 GLU N N 15 116.290 0.03 . . . . . . A 110 GLU N . 30812 1 1131 . 1 . 1 103 103 VAL H H 1 7.550 0.01 . . . . . . A 111 VAL H . 30812 1 1132 . 1 . 1 103 103 VAL HA H 1 4.136 0.01 . . . . . . A 111 VAL HA . 30812 1 1133 . 1 . 1 103 103 VAL HB H 1 2.350 0.01 . . . . . . A 111 VAL HB . 30812 1 1134 . 1 . 1 103 103 VAL HG11 H 1 1.000 0.02 . . . . . . A 111 VAL HG11 . 30812 1 1135 . 1 . 1 103 103 VAL HG12 H 1 1.000 0.02 . . . . . . A 111 VAL HG12 . 30812 1 1136 . 1 . 1 103 103 VAL HG13 H 1 1.000 0.02 . . . . . . A 111 VAL HG13 . 30812 1 1137 . 1 . 1 103 103 VAL HG21 H 1 0.957 0.02 . . . . . . A 111 VAL HG21 . 30812 1 1138 . 1 . 1 103 103 VAL HG22 H 1 0.957 0.02 . . . . . . A 111 VAL HG22 . 30812 1 1139 . 1 . 1 103 103 VAL HG23 H 1 0.957 0.02 . . . . . . A 111 VAL HG23 . 30812 1 1140 . 1 . 1 103 103 VAL C C 13 177.294 0.01 . . . . . . A 111 VAL C . 30812 1 1141 . 1 . 1 103 103 VAL CA C 13 62.623 0.04 . . . . . . A 111 VAL CA . 30812 1 1142 . 1 . 1 103 103 VAL CB C 13 31.592 0.04 . . . . . . A 111 VAL CB . 30812 1 1143 . 1 . 1 103 103 VAL CG1 C 13 21.608 0.06 . . . . . . A 111 VAL CG1 . 30812 1 1144 . 1 . 1 103 103 VAL CG2 C 13 21.638 0.06 . . . . . . A 111 VAL CG2 . 30812 1 1145 . 1 . 1 103 103 VAL N N 15 115.377 0.04 . . . . . . A 111 VAL N . 30812 1 1146 . 1 . 1 104 104 GLY H H 1 8.111 0.01 . . . . . . A 112 GLY H . 30812 1 1147 . 1 . 1 104 104 GLY HA2 H 1 4.240 0.01 . . . . . . A 112 GLY HA2 . 30812 1 1148 . 1 . 1 104 104 GLY HA3 H 1 3.361 0.01 . . . . . . A 112 GLY HA3 . 30812 1 1149 . 1 . 1 104 104 GLY C C 13 175.275 0.01 . . . . . . A 112 GLY C . 30812 1 1150 . 1 . 1 104 104 GLY CA C 13 45.152 0.03 . . . . . . A 112 GLY CA . 30812 1 1151 . 1 . 1 104 104 GLY N N 15 109.884 0.04 . . . . . . A 112 GLY N . 30812 1 1152 . 1 . 1 105 105 VAL H H 1 8.784 0.01 . . . . . . A 113 VAL H . 30812 1 1153 . 1 . 1 105 105 VAL HA H 1 3.877 0.01 . . . . . . A 113 VAL HA . 30812 1 1154 . 1 . 1 105 105 VAL HB H 1 2.240 0.01 . . . . . . A 113 VAL HB . 30812 1 1155 . 1 . 1 105 105 VAL HG11 H 1 1.082 0.02 . . . . . . A 113 VAL HG11 . 30812 1 1156 . 1 . 1 105 105 VAL HG12 H 1 1.082 0.02 . . . . . . A 113 VAL HG12 . 30812 1 1157 . 1 . 1 105 105 VAL HG13 H 1 1.082 0.02 . . . . . . A 113 VAL HG13 . 30812 1 1158 . 1 . 1 105 105 VAL HG21 H 1 1.006 0.02 . . . . . . A 113 VAL HG21 . 30812 1 1159 . 1 . 1 105 105 VAL HG22 H 1 1.006 0.02 . . . . . . A 113 VAL HG22 . 30812 1 1160 . 1 . 1 105 105 VAL HG23 H 1 1.006 0.02 . . . . . . A 113 VAL HG23 . 30812 1 1161 . 1 . 1 105 105 VAL C C 13 175.411 0.00 . . . . . . A 113 VAL C . 30812 1 1162 . 1 . 1 105 105 VAL CA C 13 63.646 0.03 . . . . . . A 113 VAL CA . 30812 1 1163 . 1 . 1 105 105 VAL CB C 13 30.590 0.02 . . . . . . A 113 VAL CB . 30812 1 1164 . 1 . 1 105 105 VAL CG1 C 13 23.550 0.01 . . . . . . A 113 VAL CG1 . 30812 1 1165 . 1 . 1 105 105 VAL CG2 C 13 23.432 0.11 . . . . . . A 113 VAL CG2 . 30812 1 1166 . 1 . 1 105 105 VAL N N 15 127.268 0.03 . . . . . . A 113 VAL N . 30812 1 1167 . 1 . 1 106 106 THR H H 1 7.592 0.01 . . . . . . A 114 THR H . 30812 1 1168 . 1 . 1 106 106 THR HA H 1 5.301 0.01 . . . . . . A 114 THR HA . 30812 1 1169 . 1 . 1 106 106 THR HB H 1 4.045 0.01 . . . . . . A 114 THR HB . 30812 1 1170 . 1 . 1 106 106 THR HG21 H 1 1.014 0.01 . . . . . . A 114 THR HG21 . 30812 1 1171 . 1 . 1 106 106 THR HG22 H 1 1.014 0.01 . . . . . . A 114 THR HG22 . 30812 1 1172 . 1 . 1 106 106 THR HG23 H 1 1.014 0.01 . . . . . . A 114 THR HG23 . 30812 1 1173 . 1 . 1 106 106 THR C C 13 175.348 0.01 . . . . . . A 114 THR C . 30812 1 1174 . 1 . 1 106 106 THR CA C 13 59.214 0.04 . . . . . . A 114 THR CA . 30812 1 1175 . 1 . 1 106 106 THR CB C 13 73.490 0.02 . . . . . . A 114 THR CB . 30812 1 1176 . 1 . 1 106 106 THR CG2 C 13 21.256 0.09 . . . . . . A 114 THR CG2 . 30812 1 1177 . 1 . 1 106 106 THR N N 15 111.701 0.08 . . . . . . A 114 THR N . 30812 1 1178 . 1 . 1 107 107 ASP H H 1 8.015 0.01 . . . . . . A 115 ASP H . 30812 1 1179 . 1 . 1 107 107 ASP HA H 1 4.858 0.01 . . . . . . A 115 ASP HA . 30812 1 1180 . 1 . 1 107 107 ASP HB2 H 1 2.589 0.01 . . . . . . A 115 ASP HB2 . 30812 1 1181 . 1 . 1 107 107 ASP HB3 H 1 2.138 0.01 . . . . . . A 115 ASP HB3 . 30812 1 1182 . 1 . 1 107 107 ASP C C 13 173.671 0.00 . . . . . . A 115 ASP C . 30812 1 1183 . 1 . 1 107 107 ASP CA C 13 54.102 0.08 . . . . . . A 115 ASP CA . 30812 1 1184 . 1 . 1 107 107 ASP CB C 13 44.918 0.02 . . . . . . A 115 ASP CB . 30812 1 1185 . 1 . 1 107 107 ASP N N 15 116.171 0.06 . . . . . . A 115 ASP N . 30812 1 1186 . 1 . 1 108 108 LEU H H 1 7.822 0.01 . . . . . . A 116 LEU H . 30812 1 1187 . 1 . 1 108 108 LEU HA H 1 5.615 0.01 . . . . . . A 116 LEU HA . 30812 1 1188 . 1 . 1 108 108 LEU HB2 H 1 1.692 0.01 . . . . . . A 116 LEU HB2 . 30812 1 1189 . 1 . 1 108 108 LEU HB3 H 1 1.692 0.01 . . . . . . A 116 LEU HB3 . 30812 1 1190 . 1 . 1 108 108 LEU HG H 1 1.357 0.01 . . . . . . A 116 LEU HG . 30812 1 1191 . 1 . 1 108 108 LEU HD11 H 1 0.790 0.01 . . . . . . A 116 LEU HD11 . 30812 1 1192 . 1 . 1 108 108 LEU HD12 H 1 0.790 0.01 . . . . . . A 116 LEU HD12 . 30812 1 1193 . 1 . 1 108 108 LEU HD13 H 1 0.790 0.01 . . . . . . A 116 LEU HD13 . 30812 1 1194 . 1 . 1 108 108 LEU HD21 H 1 0.679 0.00 . . . . . . A 116 LEU HD21 . 30812 1 1195 . 1 . 1 108 108 LEU HD22 H 1 0.679 0.00 . . . . . . A 116 LEU HD22 . 30812 1 1196 . 1 . 1 108 108 LEU HD23 H 1 0.679 0.00 . . . . . . A 116 LEU HD23 . 30812 1 1197 . 1 . 1 108 108 LEU C C 13 176.762 0.00 . . . . . . A 116 LEU C . 30812 1 1198 . 1 . 1 108 108 LEU CA C 13 54.286 0.07 . . . . . . A 116 LEU CA . 30812 1 1199 . 1 . 1 108 108 LEU CB C 13 45.569 0.07 . . . . . . A 116 LEU CB . 30812 1 1200 . 1 . 1 108 108 LEU CG C 13 27.746 0.12 . . . . . . A 116 LEU CG . 30812 1 1201 . 1 . 1 108 108 LEU CD1 C 13 25.169 0.15 . . . . . . A 116 LEU CD1 . 30812 1 1202 . 1 . 1 108 108 LEU CD2 C 13 25.169 0.15 . . . . . . A 116 LEU CD2 . 30812 1 1203 . 1 . 1 108 108 LEU N N 15 126.286 0.04 . . . . . . A 116 LEU N . 30812 1 1204 . 1 . 1 109 109 GLN H H 1 8.856 0.01 . . . . . . A 117 GLN H . 30812 1 1205 . 1 . 1 109 109 GLN HA H 1 4.749 0.02 . . . . . . A 117 GLN HA . 30812 1 1206 . 1 . 1 109 109 GLN HB2 H 1 1.853 0.01 . . . . . . A 117 GLN HB2 . 30812 1 1207 . 1 . 1 109 109 GLN HB3 H 1 1.853 0.01 . . . . . . A 117 GLN HB3 . 30812 1 1208 . 1 . 1 109 109 GLN HG2 H 1 1.861 0.01 . . . . . . A 117 GLN HG2 . 30812 1 1209 . 1 . 1 109 109 GLN HG3 H 1 1.861 0.01 . . . . . . A 117 GLN HG3 . 30812 1 1210 . 1 . 1 109 109 GLN C C 13 175.028 0.01 . . . . . . A 117 GLN C . 30812 1 1211 . 1 . 1 109 109 GLN CA C 13 52.896 0.13 . . . . . . A 117 GLN CA . 30812 1 1212 . 1 . 1 109 109 GLN CB C 13 34.361 0.04 . . . . . . A 117 GLN CB . 30812 1 1213 . 1 . 1 109 109 GLN CG C 13 34.365 0.10 . . . . . . A 117 GLN CG . 30812 1 1214 . 1 . 1 109 109 GLN N N 15 122.288 0.04 . . . . . . A 117 GLN N . 30812 1 1215 . 1 . 1 110 110 VAL H H 1 8.522 0.01 . . . . . . A 118 VAL H . 30812 1 1216 . 1 . 1 110 110 VAL HA H 1 4.734 0.01 . . . . . . A 118 VAL HA . 30812 1 1217 . 1 . 1 110 110 VAL HB H 1 1.851 0.01 . . . . . . A 118 VAL HB . 30812 1 1218 . 1 . 1 110 110 VAL HG11 H 1 0.805 0.02 . . . . . . A 118 VAL HG11 . 30812 1 1219 . 1 . 1 110 110 VAL HG12 H 1 0.805 0.02 . . . . . . A 118 VAL HG12 . 30812 1 1220 . 1 . 1 110 110 VAL HG13 H 1 0.805 0.02 . . . . . . A 118 VAL HG13 . 30812 1 1221 . 1 . 1 110 110 VAL HG21 H 1 0.696 0.01 . . . . . . A 118 VAL HG21 . 30812 1 1222 . 1 . 1 110 110 VAL HG22 H 1 0.696 0.01 . . . . . . A 118 VAL HG22 . 30812 1 1223 . 1 . 1 110 110 VAL HG23 H 1 0.696 0.01 . . . . . . A 118 VAL HG23 . 30812 1 1224 . 1 . 1 110 110 VAL C C 13 177.193 0.00 . . . . . . A 118 VAL C . 30812 1 1225 . 1 . 1 110 110 VAL CA C 13 62.151 0.14 . . . . . . A 118 VAL CA . 30812 1 1226 . 1 . 1 110 110 VAL CB C 13 34.248 0.08 . . . . . . A 118 VAL CB . 30812 1 1227 . 1 . 1 110 110 VAL CG1 C 13 22.218 0.14 . . . . . . A 118 VAL CG1 . 30812 1 1228 . 1 . 1 110 110 VAL CG2 C 13 21.249 0.12 . . . . . . A 118 VAL CG2 . 30812 1 1229 . 1 . 1 110 110 VAL N N 15 120.780 0.08 . . . . . . A 118 VAL N . 30812 1 1230 . 1 . 1 111 111 LEU H H 1 8.911 0.01 . . . . . . A 119 LEU H . 30812 1 1231 . 1 . 1 111 111 LEU HA H 1 4.802 0.02 . . . . . . A 119 LEU HA . 30812 1 1232 . 1 . 1 111 111 LEU HB2 H 1 1.598 0.02 . . . . . . A 119 LEU HB2 . 30812 1 1233 . 1 . 1 111 111 LEU HB3 H 1 0.954 0.02 . . . . . . A 119 LEU HB3 . 30812 1 1234 . 1 . 1 111 111 LEU HG H 1 1.660 0.02 . . . . . . A 119 LEU HG . 30812 1 1235 . 1 . 1 111 111 LEU HD11 H 1 0.565 0.02 . . . . . . A 119 LEU HD11 . 30812 1 1236 . 1 . 1 111 111 LEU HD12 H 1 0.565 0.02 . . . . . . A 119 LEU HD12 . 30812 1 1237 . 1 . 1 111 111 LEU HD13 H 1 0.565 0.02 . . . . . . A 119 LEU HD13 . 30812 1 1238 . 1 . 1 111 111 LEU HD21 H 1 0.207 0.01 . . . . . . A 119 LEU HD21 . 30812 1 1239 . 1 . 1 111 111 LEU HD22 H 1 0.207 0.01 . . . . . . A 119 LEU HD22 . 30812 1 1240 . 1 . 1 111 111 LEU HD23 H 1 0.207 0.01 . . . . . . A 119 LEU HD23 . 30812 1 1241 . 1 . 1 111 111 LEU C C 13 175.754 0.02 . . . . . . A 119 LEU C . 30812 1 1242 . 1 . 1 111 111 LEU CA C 13 52.638 0.16 . . . . . . A 119 LEU CA . 30812 1 1243 . 1 . 1 111 111 LEU CB C 13 44.779 0.09 . . . . . . A 119 LEU CB . 30812 1 1244 . 1 . 1 111 111 LEU CG C 13 28.203 0.13 . . . . . . A 119 LEU CG . 30812 1 1245 . 1 . 1 111 111 LEU CD1 C 13 21.736 0.08 . . . . . . A 119 LEU CD1 . 30812 1 1246 . 1 . 1 111 111 LEU CD2 C 13 21.736 0.08 . . . . . . A 119 LEU CD2 . 30812 1 1247 . 1 . 1 111 111 LEU N N 15 129.013 0.11 . . . . . . A 119 LEU N . 30812 1 1248 . 1 . 1 112 112 THR H H 1 8.996 0.01 . . . . . . A 120 THR H . 30812 1 1249 . 1 . 1 112 112 THR HA H 1 5.311 0.02 . . . . . . A 120 THR HA . 30812 1 1250 . 1 . 1 112 112 THR HB H 1 3.977 0.02 . . . . . . A 120 THR HB . 30812 1 1251 . 1 . 1 112 112 THR HG21 H 1 1.176 0.01 . . . . . . A 120 THR HG21 . 30812 1 1252 . 1 . 1 112 112 THR HG22 H 1 1.176 0.01 . . . . . . A 120 THR HG22 . 30812 1 1253 . 1 . 1 112 112 THR HG23 H 1 1.176 0.01 . . . . . . A 120 THR HG23 . 30812 1 1254 . 1 . 1 112 112 THR C C 13 174.156 0.01 . . . . . . A 120 THR C . 30812 1 1255 . 1 . 1 112 112 THR CA C 13 62.112 0.04 . . . . . . A 120 THR CA . 30812 1 1256 . 1 . 1 112 112 THR CB C 13 70.113 0.05 . . . . . . A 120 THR CB . 30812 1 1257 . 1 . 1 112 112 THR N N 15 128.091 0.04 . . . . . . A 120 THR N . 30812 1 1258 . 1 . 1 113 113 VAL H H 1 9.772 0.01 . . . . . . A 121 VAL H . 30812 1 1259 . 1 . 1 113 113 VAL HA H 1 4.476 0.02 . . . . . . A 121 VAL HA . 30812 1 1260 . 1 . 1 113 113 VAL HB H 1 1.671 0.01 . . . . . . A 121 VAL HB . 30812 1 1261 . 1 . 1 113 113 VAL HG11 H 1 0.642 0.00 . . . . . . A 121 VAL HG11 . 30812 1 1262 . 1 . 1 113 113 VAL HG12 H 1 0.642 0.00 . . . . . . A 121 VAL HG12 . 30812 1 1263 . 1 . 1 113 113 VAL HG13 H 1 0.642 0.00 . . . . . . A 121 VAL HG13 . 30812 1 1264 . 1 . 1 113 113 VAL HG21 H 1 0.644 0.00 . . . . . . A 121 VAL HG21 . 30812 1 1265 . 1 . 1 113 113 VAL HG22 H 1 0.644 0.00 . . . . . . A 121 VAL HG22 . 30812 1 1266 . 1 . 1 113 113 VAL HG23 H 1 0.644 0.00 . . . . . . A 121 VAL HG23 . 30812 1 1267 . 1 . 1 113 113 VAL C C 13 174.893 0.01 . . . . . . A 121 VAL C . 30812 1 1268 . 1 . 1 113 113 VAL CA C 13 61.033 0.06 . . . . . . A 121 VAL CA . 30812 1 1269 . 1 . 1 113 113 VAL CB C 13 34.199 0.05 . . . . . . A 121 VAL CB . 30812 1 1270 . 1 . 1 113 113 VAL CG1 C 13 22.393 0.03 . . . . . . A 121 VAL CG1 . 30812 1 1271 . 1 . 1 113 113 VAL CG2 C 13 22.163 0.14 . . . . . . A 121 VAL CG2 . 30812 1 1272 . 1 . 1 113 113 VAL N N 15 127.630 0.05 . . . . . . A 121 VAL N . 30812 1 1273 . 1 . 1 114 114 GLN H H 1 8.701 0.01 . . . . . . A 122 GLN H . 30812 1 1274 . 1 . 1 114 114 GLN HA H 1 5.234 0.01 . . . . . . A 122 GLN HA . 30812 1 1275 . 1 . 1 114 114 GLN HB2 H 1 2.085 0.02 . . . . . . A 122 GLN HB2 . 30812 1 1276 . 1 . 1 114 114 GLN HB3 H 1 2.085 0.02 . . . . . . A 122 GLN HB3 . 30812 1 1277 . 1 . 1 114 114 GLN HG2 H 1 2.222 0.01 . . . . . . A 122 GLN HG2 . 30812 1 1278 . 1 . 1 114 114 GLN HG3 H 1 2.202 0.02 . . . . . . A 122 GLN HG3 . 30812 1 1279 . 1 . 1 114 114 GLN C C 13 175.576 0.01 . . . . . . A 122 GLN C . 30812 1 1280 . 1 . 1 114 114 GLN CA C 13 53.786 0.04 . . . . . . A 122 GLN CA . 30812 1 1281 . 1 . 1 114 114 GLN CB C 13 30.491 0.04 . . . . . . A 122 GLN CB . 30812 1 1282 . 1 . 1 114 114 GLN CG C 13 34.487 0.04 . . . . . . A 122 GLN CG . 30812 1 1283 . 1 . 1 114 114 GLN N N 15 125.845 0.05 . . . . . . A 122 GLN N . 30812 1 1284 . 1 . 1 115 115 VAL H H 1 9.038 0.01 . . . . . . A 123 VAL H . 30812 1 1285 . 1 . 1 115 115 VAL HA H 1 5.177 0.02 . . . . . . A 123 VAL HA . 30812 1 1286 . 1 . 1 115 115 VAL HB H 1 2.272 0.01 . . . . . . A 123 VAL HB . 30812 1 1287 . 1 . 1 115 115 VAL HG11 H 1 1.308 0.01 . . . . . . A 123 VAL HG11 . 30812 1 1288 . 1 . 1 115 115 VAL HG12 H 1 1.308 0.01 . . . . . . A 123 VAL HG12 . 30812 1 1289 . 1 . 1 115 115 VAL HG13 H 1 1.308 0.01 . . . . . . A 123 VAL HG13 . 30812 1 1290 . 1 . 1 115 115 VAL HG21 H 1 1.255 0.00 . . . . . . A 123 VAL HG21 . 30812 1 1291 . 1 . 1 115 115 VAL HG22 H 1 1.255 0.00 . . . . . . A 123 VAL HG22 . 30812 1 1292 . 1 . 1 115 115 VAL HG23 H 1 1.255 0.00 . . . . . . A 123 VAL HG23 . 30812 1 1293 . 1 . 1 115 115 VAL C C 13 178.032 0.00 . . . . . . A 123 VAL C . 30812 1 1294 . 1 . 1 115 115 VAL CA C 13 61.310 0.08 . . . . . . A 123 VAL CA . 30812 1 1295 . 1 . 1 115 115 VAL CB C 13 32.715 0.08 . . . . . . A 123 VAL CB . 30812 1 1296 . 1 . 1 115 115 VAL CG1 C 13 22.621 0.15 . . . . . . A 123 VAL CG1 . 30812 1 1297 . 1 . 1 115 115 VAL CG2 C 13 21.351 0.02 . . . . . . A 123 VAL CG2 . 30812 1 1298 . 1 . 1 115 115 VAL N N 15 127.032 0.05 . . . . . . A 123 VAL N . 30812 1 1299 . 1 . 1 116 116 THR H H 1 9.029 0.01 . . . . . . A 124 THR H . 30812 1 1300 . 1 . 1 116 116 THR HA H 1 4.659 0.01 . . . . . . A 124 THR HA . 30812 1 1301 . 1 . 1 116 116 THR HB H 1 4.172 0.01 . . . . . . A 124 THR HB . 30812 1 1302 . 1 . 1 116 116 THR HG21 H 1 1.082 0.02 . . . . . . A 124 THR HG21 . 30812 1 1303 . 1 . 1 116 116 THR HG22 H 1 1.082 0.02 . . . . . . A 124 THR HG22 . 30812 1 1304 . 1 . 1 116 116 THR HG23 H 1 1.082 0.02 . . . . . . A 124 THR HG23 . 30812 1 1305 . 1 . 1 116 116 THR C C 13 174.885 0.00 . . . . . . A 124 THR C . 30812 1 1306 . 1 . 1 116 116 THR CA C 13 60.244 0.05 . . . . . . A 124 THR CA . 30812 1 1307 . 1 . 1 116 116 THR CB C 13 70.260 0.04 . . . . . . A 124 THR CB . 30812 1 1308 . 1 . 1 116 116 THR N N 15 118.502 0.07 . . . . . . A 124 THR N . 30812 1 1309 . 1 . 1 117 117 ASP H H 1 7.853 0.01 . . . . . . A 125 ASP H . 30812 1 1310 . 1 . 1 117 117 ASP HA H 1 3.880 0.02 . . . . . . A 125 ASP HA . 30812 1 1311 . 1 . 1 117 117 ASP HB2 H 1 1.873 0.01 . . . . . . A 125 ASP HB2 . 30812 1 1312 . 1 . 1 117 117 ASP HB3 H 1 1.873 0.01 . . . . . . A 125 ASP HB3 . 30812 1 1313 . 1 . 1 117 117 ASP C C 13 177.703 0.00 . . . . . . A 125 ASP C . 30812 1 1314 . 1 . 1 117 117 ASP CA C 13 54.339 0.08 . . . . . . A 125 ASP CA . 30812 1 1315 . 1 . 1 117 117 ASP CB C 13 40.985 0.01 . . . . . . A 125 ASP CB . 30812 1 1316 . 1 . 1 117 117 ASP N N 15 121.130 0.06 . . . . . . A 125 ASP N . 30812 1 1317 . 1 . 1 118 118 VAL H H 1 10.045 0.01 . . . . . . A 126 VAL H . 30812 1 1318 . 1 . 1 118 118 VAL HA H 1 4.249 0.01 . . . . . . A 126 VAL HA . 30812 1 1319 . 1 . 1 118 118 VAL HB H 1 1.859 0.01 . . . . . . A 126 VAL HB . 30812 1 1320 . 1 . 1 118 118 VAL HG11 H 1 0.957 0.01 . . . . . . A 126 VAL HG11 . 30812 1 1321 . 1 . 1 118 118 VAL HG12 H 1 0.957 0.01 . . . . . . A 126 VAL HG12 . 30812 1 1322 . 1 . 1 118 118 VAL HG13 H 1 0.957 0.01 . . . . . . A 126 VAL HG13 . 30812 1 1323 . 1 . 1 118 118 VAL HG21 H 1 0.946 0.01 . . . . . . A 126 VAL HG21 . 30812 1 1324 . 1 . 1 118 118 VAL HG22 H 1 0.946 0.01 . . . . . . A 126 VAL HG22 . 30812 1 1325 . 1 . 1 118 118 VAL HG23 H 1 0.946 0.01 . . . . . . A 126 VAL HG23 . 30812 1 1326 . 1 . 1 118 118 VAL C C 13 176.960 0.00 . . . . . . A 126 VAL C . 30812 1 1327 . 1 . 1 118 118 VAL CA C 13 60.693 0.06 . . . . . . A 126 VAL CA . 30812 1 1328 . 1 . 1 118 118 VAL CB C 13 34.471 0.10 . . . . . . A 126 VAL CB . 30812 1 1329 . 1 . 1 118 118 VAL CG1 C 13 21.139 0.00 . . . . . . A 126 VAL CG1 . 30812 1 1330 . 1 . 1 118 118 VAL CG2 C 13 21.139 0.00 . . . . . . A 126 VAL CG2 . 30812 1 1331 . 1 . 1 118 118 VAL N N 15 127.801 0.08 . . . . . . A 126 VAL N . 30812 1 1332 . 1 . 1 119 119 ASN H H 1 9.230 0.01 . . . . . . A 127 ASN H . 30812 1 1333 . 1 . 1 119 119 ASN HA H 1 4.556 0.01 . . . . . . A 127 ASN HA . 30812 1 1334 . 1 . 1 119 119 ASN HB2 H 1 2.755 0.00 . . . . . . A 127 ASN HB2 . 30812 1 1335 . 1 . 1 119 119 ASN HB3 H 1 2.755 0.00 . . . . . . A 127 ASN HB3 . 30812 1 1336 . 1 . 1 119 119 ASN C C 13 175.046 0.06 . . . . . . A 127 ASN C . 30812 1 1337 . 1 . 1 119 119 ASN CA C 13 54.693 0.10 . . . . . . A 127 ASN CA . 30812 1 1338 . 1 . 1 119 119 ASN CB C 13 37.904 0.02 . . . . . . A 127 ASN CB . 30812 1 1339 . 1 . 1 119 119 ASN N N 15 128.666 0.12 . . . . . . A 127 ASN N . 30812 1 1340 . 1 . 1 120 120 GLU H H 1 8.068 0.01 . . . . . . A 128 GLU H . 30812 1 1341 . 1 . 1 120 120 GLU HA H 1 4.769 0.01 . . . . . . A 128 GLU HA . 30812 1 1342 . 1 . 1 120 120 GLU HB2 H 1 1.917 0.00 . . . . . . A 128 GLU HB2 . 30812 1 1343 . 1 . 1 120 120 GLU HB3 H 1 1.917 0.00 . . . . . . A 128 GLU HB3 . 30812 1 1344 . 1 . 1 120 120 GLU HG2 H 1 2.143 0.00 . . . . . . A 128 GLU HG2 . 30812 1 1345 . 1 . 1 120 120 GLU HG3 H 1 2.143 0.00 . . . . . . A 128 GLU HG3 . 30812 1 1346 . 1 . 1 120 120 GLU C C 13 173.751 0.00 . . . . . . A 128 GLU C . 30812 1 1347 . 1 . 1 120 120 GLU CA C 13 53.838 0.02 . . . . . . A 128 GLU CA . 30812 1 1348 . 1 . 1 120 120 GLU CB C 13 31.424 0.09 . . . . . . A 128 GLU CB . 30812 1 1349 . 1 . 1 120 120 GLU CG C 13 36.123 0.00 . . . . . . A 128 GLU CG . 30812 1 1350 . 1 . 1 120 120 GLU N N 15 127.862 0.05 . . . . . . A 128 GLU N . 30812 1 1351 . 1 . 1 121 121 PRO HD2 H 1 1.892 0.00 . . . . . . A 129 PRO HD2 . 30812 1 1352 . 1 . 1 121 121 PRO HD3 H 1 1.892 0.00 . . . . . . A 129 PRO HD3 . 30812 1 1353 . 1 . 1 122 122 PRO HA H 1 4.400 0.00 . . . . . . A 130 PRO HA . 30812 1 1354 . 1 . 1 122 122 PRO HB2 H 1 2.295 0.00 . . . . . . A 130 PRO HB2 . 30812 1 1355 . 1 . 1 122 122 PRO HB3 H 1 1.940 0.01 . . . . . . A 130 PRO HB3 . 30812 1 1356 . 1 . 1 122 122 PRO HG2 H 1 1.780 0.00 . . . . . . A 130 PRO HG2 . 30812 1 1357 . 1 . 1 122 122 PRO HG3 H 1 1.780 0.00 . . . . . . A 130 PRO HG3 . 30812 1 1358 . 1 . 1 122 122 PRO HD2 H 1 3.830 0.00 . . . . . . A 130 PRO HD2 . 30812 1 1359 . 1 . 1 122 122 PRO HD3 H 1 3.830 0.00 . . . . . . A 130 PRO HD3 . 30812 1 1360 . 1 . 1 122 122 PRO C C 13 178.469 0.00 . . . . . . A 130 PRO C . 30812 1 1361 . 1 . 1 122 122 PRO CA C 13 63.452 0.01 . . . . . . A 130 PRO CA . 30812 1 1362 . 1 . 1 122 122 PRO CB C 13 32.012 0.05 . . . . . . A 130 PRO CB . 30812 1 1363 . 1 . 1 122 122 PRO CG C 13 27.383 0.01 . . . . . . A 130 PRO CG . 30812 1 1364 . 1 . 1 122 122 PRO CD C 13 50.635 0.07 . . . . . . A 130 PRO CD . 30812 1 1365 . 1 . 1 123 123 GLY H H 1 8.539 0.01 . . . . . . A 131 GLY H . 30812 1 1366 . 1 . 1 123 123 GLY HA2 H 1 3.952 0.00 . . . . . . A 131 GLY HA2 . 30812 1 1367 . 1 . 1 123 123 GLY HA3 H 1 3.952 0.00 . . . . . . A 131 GLY HA3 . 30812 1 1368 . 1 . 1 123 123 GLY C C 13 175.601 0.00 . . . . . . A 131 GLY C . 30812 1 1369 . 1 . 1 123 123 GLY CA C 13 45.344 0.03 . . . . . . A 131 GLY CA . 30812 1 1370 . 1 . 1 123 123 GLY N N 15 109.573 0.05 . . . . . . A 131 GLY N . 30812 1 1371 . 1 . 1 124 124 GLY H H 1 8.254 0.00 . . . . . . A 132 GLY H . 30812 1 1372 . 1 . 1 124 124 GLY HA2 H 1 3.996 0.00 . . . . . . A 132 GLY HA2 . 30812 1 1373 . 1 . 1 124 124 GLY HA3 H 1 3.996 0.00 . . . . . . A 132 GLY HA3 . 30812 1 1374 . 1 . 1 124 124 GLY C C 13 175.092 0.00 . . . . . . A 132 GLY C . 30812 1 1375 . 1 . 1 124 124 GLY CA C 13 45.257 0.02 . . . . . . A 132 GLY CA . 30812 1 1376 . 1 . 1 124 124 GLY N N 15 108.740 0.03 . . . . . . A 132 GLY N . 30812 1 1377 . 1 . 1 125 125 THR H H 1 8.133 0.01 . . . . . . A 133 THR H . 30812 1 1378 . 1 . 1 125 125 THR HA H 1 4.262 0.01 . . . . . . A 133 THR HA . 30812 1 1379 . 1 . 1 125 125 THR HB H 1 4.146 0.00 . . . . . . A 133 THR HB . 30812 1 1380 . 1 . 1 125 125 THR HG21 H 1 1.136 0.00 . . . . . . A 133 THR HG21 . 30812 1 1381 . 1 . 1 125 125 THR HG22 H 1 1.136 0.00 . . . . . . A 133 THR HG22 . 30812 1 1382 . 1 . 1 125 125 THR HG23 H 1 1.136 0.00 . . . . . . A 133 THR HG23 . 30812 1 1383 . 1 . 1 125 125 THR C C 13 175.382 0.00 . . . . . . A 133 THR C . 30812 1 1384 . 1 . 1 125 125 THR CA C 13 62.040 0.02 . . . . . . A 133 THR CA . 30812 1 1385 . 1 . 1 125 125 THR CB C 13 69.870 0.02 . . . . . . A 133 THR CB . 30812 1 1386 . 1 . 1 125 125 THR N N 15 113.888 0.02 . . . . . . A 133 THR N . 30812 1 1387 . 1 . 1 126 126 LYS H H 1 8.363 0.01 . . . . . . A 134 LYS H . 30812 1 1388 . 1 . 1 126 126 LYS HA H 1 4.245 0.00 . . . . . . A 134 LYS HA . 30812 1 1389 . 1 . 1 126 126 LYS HB2 H 1 1.676 0.00 . . . . . . A 134 LYS HB2 . 30812 1 1390 . 1 . 1 126 126 LYS HB3 H 1 1.676 0.00 . . . . . . A 134 LYS HB3 . 30812 1 1391 . 1 . 1 126 126 LYS HG2 H 1 1.335 0.00 . . . . . . A 134 LYS HG2 . 30812 1 1392 . 1 . 1 126 126 LYS HG3 H 1 1.300 0.01 . . . . . . A 134 LYS HG3 . 30812 1 1393 . 1 . 1 126 126 LYS HD2 H 1 1.324 0.00 . . . . . . A 134 LYS HD2 . 30812 1 1394 . 1 . 1 126 126 LYS HD3 H 1 1.282 0.00 . . . . . . A 134 LYS HD3 . 30812 1 1395 . 1 . 1 126 126 LYS HE2 H 1 2.990 0.00 . . . . . . A 134 LYS HE2 . 30812 1 1396 . 1 . 1 126 126 LYS HE3 H 1 2.990 0.00 . . . . . . A 134 LYS HE3 . 30812 1 1397 . 1 . 1 126 126 LYS C C 13 176.904 0.00 . . . . . . A 134 LYS C . 30812 1 1398 . 1 . 1 126 126 LYS CA C 13 56.282 0.00 . . . . . . A 134 LYS CA . 30812 1 1399 . 1 . 1 126 126 LYS CB C 13 33.007 0.09 . . . . . . A 134 LYS CB . 30812 1 1400 . 1 . 1 126 126 LYS CG C 13 24.695 0.03 . . . . . . A 134 LYS CG . 30812 1 1401 . 1 . 1 126 126 LYS CD C 13 29.116 0.09 . . . . . . A 134 LYS CD . 30812 1 1402 . 1 . 1 126 126 LYS CE C 13 41.861 0.00 . . . . . . A 134 LYS CE . 30812 1 1403 . 1 . 1 126 126 LYS N N 15 123.746 0.05 . . . . . . A 134 LYS N . 30812 1 stop_ save_