data_17028 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17028 _Entry.Title ; The Solution Structure of the C-terminal Ig-like Domain of the Bacteriophage Lambda Tail Tube Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-30 _Entry.Accession_date 2010-06-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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.Entry_ID 1 Lisa Pell . G. . 17028 2 Genevieve Gasmi-Seabrook . M.C. . 17028 3 Logan Donaldson . W. . 17028 4 'P Lynne' Howell . . . 17028 5 Alan Davidson . R. . 17028 6 Karen Maxwell . L. . 17028 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 17028 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'bacteriophage lambda' . 17028 gpV . 17028 'Ig-like domain' . 17028 'phage tail' . 17028 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17028 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 343 17028 '15N chemical shifts' 91 17028 '1H chemical shifts' 566 17028 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 2 . . 2010-10-14 2010-06-30 update BMRB 'update entry citation' 17028 1 . . 2010-09-24 2010-06-30 original author 'original release' 17028 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L04 'BMRB Entry Tracking System' 17028 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17028 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20826161 _Citation.Full_citation . _Citation.Title 'The Solution Structure of the C-Terminal Ig-like Domain of the Bacteriophage Tail Tube Protein.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 403 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 468 _Citation.Page_last 479 _Citation.Year 2010 _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.Entry_ID _Citation_author.Citation_ID 1 Lisa Pell . G. . 17028 1 2 Genevieve Gasmi-Seabrook . M.C. . 17028 1 3 Marc Morais . . . 17028 1 4 Philipp Neudecker . . . 17028 1 5 Voula Kanelis . . . 17028 1 6 Diane Bona . . . 17028 1 7 Logan Donaldson . W. . 17028 1 8 Aled Edwards . M. . 17028 1 9 'P. Lynne' Howell . . . 17028 1 10 Alan Davidson . R. . 17028 1 11 Karen Maxwell . L. . 17028 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'bacteriophage lambda' 17028 1 gpV 17028 1 'phage tail' 17028 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17028 _Assembly.ID 1 _Assembly.Name 'Bacteriophage Lambda Tail Tube-gpV-C' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 gpV-C 1 $gpV-C A . yes native no no . . . 17028 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_gpV-C _Entity.Sf_category entity _Entity.Sf_framecode gpV-C _Entity.Entry_ID 17028 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name gpV-C _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 ; GAMAAATGMTVTPASTSVVK GQSTTLTVAFQPEGVTDKSF RAVSADKTKATVSVSGMTIT VNGVAAGKVNIPVVSGNGEF AAVAEITVTAS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8882.101 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L04 . "The Solution Structure Of The C-terminal Ig-like Domain Of The Bacteriophage Lambda Tail Tube Protein" . . . . . 100.00 91 100.00 100.00 2.56e-52 . . . . 17028 1 2 no DBJ BAG77580 . "putative phage tail component [Escherichia coli SE11]" . . . . . 95.60 246 97.70 97.70 6.97e-46 . . . . 17028 1 3 no DBJ BAI29415 . "putative major tail protein [Escherichia coli O103:H2 str. 12009]" . . . . . 95.60 239 98.85 100.00 2.72e-47 . . . . 17028 1 4 no EMBL CAP75673 . "tail component of prophage [Escherichia coli LF82]" . . . . . 95.60 246 97.70 98.85 1.45e-46 . . . . 17028 1 5 no EMBL CAQ31259 . "enterobacteria phage lambda, tail component [Escherichia coli BL21(DE3)]" . . . . . 95.60 246 100.00 100.00 1.61e-47 . . . . 17028 1 6 no EMBL CAR01926 . "Major tail protein V [Escherichia coli S88]" . . . . . 95.60 256 98.85 98.85 1.28e-46 . . . . 17028 1 7 no EMBL CAR02528 . "Major tail protein V [Escherichia coli S88]" . . . . . 95.60 256 98.85 98.85 1.28e-46 . . . . 17028 1 8 no EMBL CAR16659 . "Major tail protein V [Escherichia coli IAI39]" . . . . . 95.60 256 98.85 98.85 1.09e-46 . . . . 17028 1 9 no GB AAA96545 . "V (tail component;256) [Enterobacteria phage lambda]" . . . . . 95.60 246 100.00 100.00 1.61e-47 . . . . 17028 1 10 no GB ACF32394 . "tail component [Enterobacteria phage DE3]" . . . . . 95.60 246 100.00 100.00 1.61e-47 . . . . 17028 1 11 no GB ACR63704 . "Major tail protein V [Escherichia coli BW2952]" . . . . . 95.60 246 100.00 100.00 1.61e-47 . . . . 17028 1 12 no GB ACT29881 . "Ig domain protein group 2 domain protein [Escherichia coli 'BL21-Gold(DE3)pLysS AG']" . . . . . 95.60 246 100.00 100.00 1.61e-47 . . . . 17028 1 13 no GB ACT42628 . "tail component [Escherichia coli BL21(DE3)]" . . . . . 95.60 246 100.00 100.00 1.61e-47 . . . . 17028 1 14 no REF NP_040592 . "tail component [Enterobacteria phage lambda]" . . . . . 95.60 246 100.00 100.00 1.61e-47 . . . . 17028 1 15 no REF WP_000056728 . "tail protein [Escherichia coli]" . . . . . 95.60 256 98.85 98.85 1.09e-46 . . . . 17028 1 16 no REF WP_000306529 . "phage tail protein, partial [Escherichia coli]" . . . . . 95.60 209 100.00 100.00 3.91e-48 . . . . 17028 1 17 no REF WP_000419939 . "phage tail protein, partial [Escherichia coli]" . . . . . 95.60 235 100.00 100.00 6.48e-48 . . . . 17028 1 18 no REF WP_001297108 . "tail protein [Escherichia coli]" . . . . . 95.60 239 100.00 100.00 1.01e-47 . . . . 17028 1 19 no SP P03733 . "RecName: Full=Tail tube protein; Short=TTP; AltName: Full=Gene product V; Short=gpV; AltName: Full=Major tail protein V [Entero" . . . . . 95.60 246 100.00 100.00 1.61e-47 . . . . 17028 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 1 156 GLY . 17028 1 2 157 ALA . 17028 1 3 158 MET . 17028 1 4 159 ALA . 17028 1 5 160 ALA . 17028 1 6 161 ALA . 17028 1 7 162 THR . 17028 1 8 163 GLY . 17028 1 9 164 MET . 17028 1 10 165 THR . 17028 1 11 166 VAL . 17028 1 12 167 THR . 17028 1 13 168 PRO . 17028 1 14 169 ALA . 17028 1 15 170 SER . 17028 1 16 171 THR . 17028 1 17 172 SER . 17028 1 18 173 VAL . 17028 1 19 174 VAL . 17028 1 20 175 LYS . 17028 1 21 176 GLY . 17028 1 22 177 GLN . 17028 1 23 178 SER . 17028 1 24 179 THR . 17028 1 25 180 THR . 17028 1 26 181 LEU . 17028 1 27 182 THR . 17028 1 28 183 VAL . 17028 1 29 184 ALA . 17028 1 30 185 PHE . 17028 1 31 186 GLN . 17028 1 32 187 PRO . 17028 1 33 188 GLU . 17028 1 34 189 GLY . 17028 1 35 190 VAL . 17028 1 36 191 THR . 17028 1 37 192 ASP . 17028 1 38 193 LYS . 17028 1 39 194 SER . 17028 1 40 195 PHE . 17028 1 41 196 ARG . 17028 1 42 197 ALA . 17028 1 43 198 VAL . 17028 1 44 199 SER . 17028 1 45 200 ALA . 17028 1 46 201 ASP . 17028 1 47 202 LYS . 17028 1 48 203 THR . 17028 1 49 204 LYS . 17028 1 50 205 ALA . 17028 1 51 206 THR . 17028 1 52 207 VAL . 17028 1 53 208 SER . 17028 1 54 209 VAL . 17028 1 55 210 SER . 17028 1 56 211 GLY . 17028 1 57 212 MET . 17028 1 58 213 THR . 17028 1 59 214 ILE . 17028 1 60 215 THR . 17028 1 61 216 VAL . 17028 1 62 217 ASN . 17028 1 63 218 GLY . 17028 1 64 219 VAL . 17028 1 65 220 ALA . 17028 1 66 221 ALA . 17028 1 67 222 GLY . 17028 1 68 223 LYS . 17028 1 69 224 VAL . 17028 1 70 225 ASN . 17028 1 71 226 ILE . 17028 1 72 227 PRO . 17028 1 73 228 VAL . 17028 1 74 229 VAL . 17028 1 75 230 SER . 17028 1 76 231 GLY . 17028 1 77 232 ASN . 17028 1 78 233 GLY . 17028 1 79 234 GLU . 17028 1 80 235 PHE . 17028 1 81 236 ALA . 17028 1 82 237 ALA . 17028 1 83 238 VAL . 17028 1 84 239 ALA . 17028 1 85 240 GLU . 17028 1 86 241 ILE . 17028 1 87 242 THR . 17028 1 88 243 VAL . 17028 1 89 244 THR . 17028 1 90 245 ALA . 17028 1 91 246 SER . 17028 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17028 1 . ALA 2 2 17028 1 . MET 3 3 17028 1 . ALA 4 4 17028 1 . ALA 5 5 17028 1 . ALA 6 6 17028 1 . THR 7 7 17028 1 . GLY 8 8 17028 1 . MET 9 9 17028 1 . THR 10 10 17028 1 . VAL 11 11 17028 1 . THR 12 12 17028 1 . PRO 13 13 17028 1 . ALA 14 14 17028 1 . SER 15 15 17028 1 . THR 16 16 17028 1 . SER 17 17 17028 1 . VAL 18 18 17028 1 . VAL 19 19 17028 1 . LYS 20 20 17028 1 . GLY 21 21 17028 1 . GLN 22 22 17028 1 . SER 23 23 17028 1 . THR 24 24 17028 1 . THR 25 25 17028 1 . LEU 26 26 17028 1 . THR 27 27 17028 1 . VAL 28 28 17028 1 . ALA 29 29 17028 1 . PHE 30 30 17028 1 . GLN 31 31 17028 1 . PRO 32 32 17028 1 . GLU 33 33 17028 1 . GLY 34 34 17028 1 . VAL 35 35 17028 1 . THR 36 36 17028 1 . ASP 37 37 17028 1 . LYS 38 38 17028 1 . SER 39 39 17028 1 . PHE 40 40 17028 1 . ARG 41 41 17028 1 . ALA 42 42 17028 1 . VAL 43 43 17028 1 . SER 44 44 17028 1 . ALA 45 45 17028 1 . ASP 46 46 17028 1 . LYS 47 47 17028 1 . THR 48 48 17028 1 . LYS 49 49 17028 1 . ALA 50 50 17028 1 . THR 51 51 17028 1 . VAL 52 52 17028 1 . SER 53 53 17028 1 . VAL 54 54 17028 1 . SER 55 55 17028 1 . GLY 56 56 17028 1 . MET 57 57 17028 1 . THR 58 58 17028 1 . ILE 59 59 17028 1 . THR 60 60 17028 1 . VAL 61 61 17028 1 . ASN 62 62 17028 1 . GLY 63 63 17028 1 . VAL 64 64 17028 1 . ALA 65 65 17028 1 . ALA 66 66 17028 1 . GLY 67 67 17028 1 . LYS 68 68 17028 1 . VAL 69 69 17028 1 . ASN 70 70 17028 1 . ILE 71 71 17028 1 . PRO 72 72 17028 1 . VAL 73 73 17028 1 . VAL 74 74 17028 1 . SER 75 75 17028 1 . GLY 76 76 17028 1 . ASN 77 77 17028 1 . GLY 78 78 17028 1 . GLU 79 79 17028 1 . PHE 80 80 17028 1 . ALA 81 81 17028 1 . ALA 82 82 17028 1 . VAL 83 83 17028 1 . ALA 84 84 17028 1 . GLU 85 85 17028 1 . ILE 86 86 17028 1 . THR 87 87 17028 1 . VAL 88 88 17028 1 . THR 89 89 17028 1 . ALA 90 90 17028 1 . SER 91 91 17028 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17028 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $gpV-C . 10710 virus . 'Bacteriophage lambda' 'Bacteriophage lambda' . . Viruses . Bacteriophage lambda . . . . . . . . . . . . . . . . . . . . . 17028 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 17028 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $gpV-C . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET32b . . . . . . 17028 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17028 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 gpV-C '15N, 13C' . . 1 $gpV-C . . . 0.71 2.5 mM . . . . 17028 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17028 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17028 1 4 H20 'natural abundance' . . . . . . 90 . . % . . . . 17028 1 5 D20 'natural abundance' . . . . . . 10 . . % . . . . 17028 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17028 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17028 2 2 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17028 2 3 D20 'natural abundance' . . . . . . 100 . . % . . . . 17028 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17028 _Sample_condition_list.ID 1 _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' 0.2 . M 17028 1 pH 6.8 . pH 17028 1 pressure 1 . atm 17028 1 temperature 298 . K 17028 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17028 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17028 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17028 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17028 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17028 _NMR_spectrometer_list.ID 1 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 spectrometer_1 Varian INOVA . 500 . . . 17028 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 17028 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17028 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17028 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17028 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17028 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17028 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17028 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17028 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17028 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17028 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17028 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17028 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17028 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17028 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17028 _Assigned_chem_shift_list.ID 1 _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 $chemical_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 '2D 1H-15N HSQC' . . . 17028 1 2 '3D CBCA(CO)NH' . . . 17028 1 3 '3D HNCACB' . . . 17028 1 4 '3D HCCH-TOCSY' . . . 17028 1 5 '3D HNCO' . . . 17028 1 6 '3D C(CO)NH' . . . 17028 1 9 '3D H(CCO)NH' . . . 17028 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.367 . . 1 . . . . 157 ALA HA . 17028 1 2 . 1 1 2 2 ALA HB1 H 1 1.387 . . 1 . . . . 157 ALA HB1 . 17028 1 3 . 1 1 2 2 ALA HB2 H 1 1.387 . . 1 . . . . 157 ALA HB1 . 17028 1 4 . 1 1 2 2 ALA HB3 H 1 1.387 . . 1 . . . . 157 ALA HB1 . 17028 1 5 . 1 1 2 2 ALA CA C 13 52.656 . . 1 . . . . 157 ALA CA . 17028 1 6 . 1 1 2 2 ALA CB C 13 19.230 . . 1 . . . . 157 ALA CB . 17028 1 7 . 1 1 3 3 MET H H 1 8.426 . . 1 . . . . 158 MET HN . 17028 1 8 . 1 1 3 3 MET HA H 1 4.474 . . 1 . . . . 158 MET HA . 17028 1 9 . 1 1 3 3 MET HB2 H 1 2.581 . . 2 . . . . 158 MET HB1 . 17028 1 10 . 1 1 3 3 MET HB3 H 1 2.045 . . 2 . . . . 158 MET HB2 . 17028 1 11 . 1 1 3 3 MET HG2 H 1 2.581 . . 2 . . . . 158 MET HG1 . 17028 1 12 . 1 1 3 3 MET HG3 H 1 2.582 . . 2 . . . . 158 MET HG2 . 17028 1 13 . 1 1 3 3 MET C C 13 175.608 . . 1 . . . . 158 MET C . 17028 1 14 . 1 1 3 3 MET CA C 13 55.449 . . 1 . . . . 158 MET CA . 17028 1 15 . 1 1 3 3 MET CB C 13 32.974 . . 1 . . . . 158 MET CB . 17028 1 16 . 1 1 3 3 MET CG C 13 37.853 . . 1 . . . . 158 MET CG . 17028 1 17 . 1 1 3 3 MET N N 15 120.093 . . 1 . . . . 158 MET N . 17028 1 18 . 1 1 4 4 ALA H H 1 8.288 . . 1 . . . . 159 ALA HN . 17028 1 19 . 1 1 4 4 ALA HA H 1 4.397 . . 1 . . . . 159 ALA HA . 17028 1 20 . 1 1 4 4 ALA HB1 H 1 1.325 . . 1 . . . . 159 ALA HB1 . 17028 1 21 . 1 1 4 4 ALA HB2 H 1 1.325 . . 1 . . . . 159 ALA HB1 . 17028 1 22 . 1 1 4 4 ALA HB3 H 1 1.325 . . 1 . . . . 159 ALA HB1 . 17028 1 23 . 1 1 4 4 ALA C C 13 176.517 . . 1 . . . . 159 ALA C . 17028 1 24 . 1 1 4 4 ALA CA C 13 51.836 . . 1 . . . . 159 ALA CA . 17028 1 25 . 1 1 4 4 ALA CB C 13 19.478 . . 1 . . . . 159 ALA CB . 17028 1 26 . 1 1 4 4 ALA N N 15 126.044 . . 1 . . . . 159 ALA N . 17028 1 27 . 1 1 5 5 ALA H H 1 8.100 . . 1 . . . . 160 ALA HN . 17028 1 28 . 1 1 5 5 ALA HA H 1 4.460 . . 1 . . . . 160 ALA HA . 17028 1 29 . 1 1 5 5 ALA HB1 H 1 1.436 . . 1 . . . . 160 ALA HB1 . 17028 1 30 . 1 1 5 5 ALA HB2 H 1 1.436 . . 1 . . . . 160 ALA HB1 . 17028 1 31 . 1 1 5 5 ALA HB3 H 1 1.436 . . 1 . . . . 160 ALA HB1 . 17028 1 32 . 1 1 5 5 ALA C C 13 176.887 . . 1 . . . . 160 ALA C . 17028 1 33 . 1 1 5 5 ALA CA C 13 51.492 . . 1 . . . . 160 ALA CA . 17028 1 34 . 1 1 5 5 ALA CB C 13 20.016 . . 1 . . . . 160 ALA CB . 17028 1 35 . 1 1 5 5 ALA N N 15 124.397 . . 1 . . . . 160 ALA N . 17028 1 36 . 1 1 6 6 ALA H H 1 8.599 . . 1 . . . . 161 ALA HN . 17028 1 37 . 1 1 6 6 ALA HA H 1 4.794 . . 1 . . . . 161 ALA HA . 17028 1 38 . 1 1 6 6 ALA HB1 H 1 1.680 . . 1 . . . . 161 ALA HB1 . 17028 1 39 . 1 1 6 6 ALA HB2 H 1 1.680 . . 1 . . . . 161 ALA HB1 . 17028 1 40 . 1 1 6 6 ALA HB3 H 1 1.680 . . 1 . . . . 161 ALA HB1 . 17028 1 41 . 1 1 6 6 ALA C C 13 178.439 . . 1 . . . . 161 ALA C . 17028 1 42 . 1 1 6 6 ALA CA C 13 52.696 . . 1 . . . . 161 ALA CA . 17028 1 43 . 1 1 6 6 ALA CB C 13 19.813 . . 1 . . . . 161 ALA CB . 17028 1 44 . 1 1 6 6 ALA N N 15 122.502 . . 1 . . . . 161 ALA N . 17028 1 45 . 1 1 7 7 THR H H 1 9.698 . . 1 . . . . 162 THR HN . 17028 1 46 . 1 1 7 7 THR HA H 1 4.595 . . 1 . . . . 162 THR HA . 17028 1 47 . 1 1 7 7 THR HB H 1 4.442 . . 1 . . . . 162 THR HB . 17028 1 48 . 1 1 7 7 THR HG21 H 1 1.235 . . 1 . . . . 162 THR HG21 . 17028 1 49 . 1 1 7 7 THR HG22 H 1 1.235 . . 1 . . . . 162 THR HG21 . 17028 1 50 . 1 1 7 7 THR HG23 H 1 1.235 . . 1 . . . . 162 THR HG21 . 17028 1 51 . 1 1 7 7 THR C C 13 174.754 . . 1 . . . . 162 THR C . 17028 1 52 . 1 1 7 7 THR CA C 13 61.572 . . 1 . . . . 162 THR CA . 17028 1 53 . 1 1 7 7 THR CB C 13 69.775 . . 1 . . . . 162 THR CB . 17028 1 54 . 1 1 7 7 THR CG2 C 13 20.954 . . 1 . . . . 162 THR CG2 . 17028 1 55 . 1 1 7 7 THR N N 15 111.337 . . 1 . . . . 162 THR N . 17028 1 56 . 1 1 8 8 GLY H H 1 7.499 . . 1 . . . . 163 GLY HN . 17028 1 57 . 1 1 8 8 GLY HA2 H 1 3.734 . . 2 . . . . 163 GLY HA1 . 17028 1 58 . 1 1 8 8 GLY HA3 H 1 3.203 . . 2 . . . . 163 GLY HA2 . 17028 1 59 . 1 1 8 8 GLY C C 13 169.372 . . 1 . . . . 163 GLY C . 17028 1 60 . 1 1 8 8 GLY CA C 13 45.364 . . 1 . . . . 163 GLY CA . 17028 1 61 . 1 1 8 8 GLY N N 15 110.831 . . 1 . . . . 163 GLY N . 17028 1 62 . 1 1 9 9 MET H H 1 7.668 . . 1 . . . . 164 MET HN . 17028 1 63 . 1 1 9 9 MET HA H 1 4.689 . . 1 . . . . 164 MET HA . 17028 1 64 . 1 1 9 9 MET HB2 H 1 1.492 . . 1 . . . . 164 MET HB1 . 17028 1 65 . 1 1 9 9 MET HB3 H 1 1.273 . . 2 . . . . 164 MET HB2 . 17028 1 66 . 1 1 9 9 MET HE1 H 1 1.485 . . 1 . . . . 164 MET HE1 . 17028 1 67 . 1 1 9 9 MET HE2 H 1 1.484 . . 1 . . . . 164 MET HE2 . 17028 1 68 . 1 1 9 9 MET HE3 H 1 1.484 . . 1 . . . . 164 MET HE2 . 17028 1 69 . 1 1 9 9 MET HG2 H 1 0.795 . . 1 . . . . 164 MET HG1 . 17028 1 70 . 1 1 9 9 MET HG3 H 1 1.404 . . 2 . . . . 164 MET HG2 . 17028 1 71 . 1 1 9 9 MET C C 13 174.332 . . 1 . . . . 164 MET C . 17028 1 72 . 1 1 9 9 MET CA C 13 54.839 . . 1 . . . . 164 MET CA . 17028 1 73 . 1 1 9 9 MET CB C 13 37.148 . . 1 . . . . 164 MET CB . 17028 1 74 . 1 1 9 9 MET CE C 13 17.226 . . 1 . . . . 164 MET CE . 17028 1 75 . 1 1 9 9 MET CG C 13 31.079 . . 1 . . . . 164 MET CG . 17028 1 76 . 1 1 9 9 MET N N 15 118.729 . . 1 . . . . 164 MET N . 17028 1 77 . 1 1 10 10 THR H H 1 9.003 . . 1 . . . . 165 THR HN . 17028 1 78 . 1 1 10 10 THR HA H 1 4.495 . . 1 . . . . 165 THR HA . 17028 1 79 . 1 1 10 10 THR HB H 1 3.983 . . 1 . . . . 165 THR HB . 17028 1 80 . 1 1 10 10 THR HG21 H 1 0.989 . . 1 . . . . 165 THR HG21 . 17028 1 81 . 1 1 10 10 THR HG22 H 1 0.989 . . 1 . . . . 165 THR HG21 . 17028 1 82 . 1 1 10 10 THR HG23 H 1 0.989 . . 1 . . . . 165 THR HG21 . 17028 1 83 . 1 1 10 10 THR C C 13 172.541 . . 1 . . . . 165 THR C . 17028 1 84 . 1 1 10 10 THR CA C 13 59.257 . . 1 . . . . 165 THR CA . 17028 1 85 . 1 1 10 10 THR CB C 13 72.388 . . 1 . . . . 165 THR CB . 17028 1 86 . 1 1 10 10 THR CG2 C 13 20.516 . . 1 . . . . 165 THR CG2 . 17028 1 87 . 1 1 10 10 THR N N 15 115.678 . . 1 . . . . 165 THR N . 17028 1 88 . 1 1 11 11 VAL H H 1 8.140 . . 1 . . . . 166 VAL HN . 17028 1 89 . 1 1 11 11 VAL HA H 1 4.572 . . 1 . . . . 166 VAL HA . 17028 1 90 . 1 1 11 11 VAL HB H 1 1.526 . . 1 . . . . 166 VAL HB . 17028 1 91 . 1 1 11 11 VAL HG11 H 1 0.626 . . 4 . . . . 166 VAL HG11 . 17028 1 92 . 1 1 11 11 VAL HG12 H 1 0.626 . . 4 . . . . 166 VAL HG11 . 17028 1 93 . 1 1 11 11 VAL HG13 H 1 0.626 . . 4 . . . . 166 VAL HG11 . 17028 1 94 . 1 1 11 11 VAL HG21 H 1 0.682 . . 4 . . . . 166 VAL HG21 . 17028 1 95 . 1 1 11 11 VAL HG22 H 1 0.682 . . 4 . . . . 166 VAL HG21 . 17028 1 96 . 1 1 11 11 VAL HG23 H 1 0.682 . . 4 . . . . 166 VAL HG21 . 17028 1 97 . 1 1 11 11 VAL C C 13 173.672 . . 1 . . . . 166 VAL C . 17028 1 98 . 1 1 11 11 VAL CA C 13 60.257 . . 1 . . . . 166 VAL CA . 17028 1 99 . 1 1 11 11 VAL CB C 13 34.456 . . 1 . . . . 166 VAL CB . 17028 1 100 . 1 1 11 11 VAL CG1 C 13 22.540 . . 2 . . . . 166 VAL CG1 . 17028 1 101 . 1 1 11 11 VAL CG2 C 13 20.945 . . 1 . . . . 166 VAL CG2 . 17028 1 102 . 1 1 11 11 VAL N N 15 119.434 . . 1 . . . . 166 VAL N . 17028 1 103 . 1 1 12 12 THR H H 1 8.395 . . 1 . . . . 167 THR HN . 17028 1 104 . 1 1 12 12 THR HB H 1 3.828 . . 1 . . . . 167 THR HB . 17028 1 105 . 1 1 12 12 THR CA C 13 58.754 . . 1 . . . . 167 THR CA . 17028 1 106 . 1 1 12 12 THR CB C 13 71.882 . . 1 . . . . 167 THR CB . 17028 1 107 . 1 1 12 12 THR N N 15 120.496 . . 1 . . . . 167 THR N . 17028 1 108 . 1 1 13 13 PRO HA H 1 4.815 . . 1 . . . . 168 PRO HA . 17028 1 109 . 1 1 13 13 PRO HB2 H 1 2.539 . . 2 . . . . 168 PRO HB1 . 17028 1 110 . 1 1 13 13 PRO HB3 H 1 2.152 . . 2 . . . . 168 PRO HB2 . 17028 1 111 . 1 1 13 13 PRO HD2 H 1 4.062 . . 2 . . . . 168 PRO HD1 . 17028 1 112 . 1 1 13 13 PRO HD3 H 1 3.527 . . 2 . . . . 168 PRO HD2 . 17028 1 113 . 1 1 13 13 PRO HG2 H 1 2.044 . . 2 . . . . 168 PRO HG1 . 17028 1 114 . 1 1 13 13 PRO HG3 H 1 1.722 . . 2 . . . . 168 PRO HG2 . 17028 1 115 . 1 1 13 13 PRO C C 13 173.712 . . 1 . . . . 168 PRO C . 17028 1 116 . 1 1 13 13 PRO CA C 13 63.238 . . 1 . . . . 168 PRO CA . 17028 1 117 . 1 1 13 13 PRO CB C 13 34.695 . . 1 . . . . 168 PRO CB . 17028 1 118 . 1 1 13 13 PRO CD C 13 50.459 . . 1 . . . . 168 PRO CD . 17028 1 119 . 1 1 13 13 PRO CG C 13 25.243 . . 1 . . . . 168 PRO CG . 17028 1 120 . 1 1 14 14 ALA H H 1 8.401 . . 1 . . . . 169 ALA HN . 17028 1 121 . 1 1 14 14 ALA HA H 1 4.178 . . 1 . . . . 169 ALA HA . 17028 1 122 . 1 1 14 14 ALA HB1 H 1 1.549 . . 1 . . . . 169 ALA HB1 . 17028 1 123 . 1 1 14 14 ALA HB2 H 1 1.549 . . 1 . . . . 169 ALA HB1 . 17028 1 124 . 1 1 14 14 ALA HB3 H 1 1.549 . . 1 . . . . 169 ALA HB1 . 17028 1 125 . 1 1 14 14 ALA C C 13 178.050 . . 1 . . . . 169 ALA C . 17028 1 126 . 1 1 14 14 ALA CA C 13 53.882 . . 1 . . . . 169 ALA CA . 17028 1 127 . 1 1 14 14 ALA CB C 13 18.929 . . 1 . . . . 169 ALA CB . 17028 1 128 . 1 1 14 14 ALA N N 15 119.536 . . 1 . . . . 169 ALA N . 17028 1 129 . 1 1 15 15 SER H H 1 7.452 . . 1 . . . . 170 SER HN . 17028 1 130 . 1 1 15 15 SER HA H 1 5.498 . . 1 . . . . 170 SER HA . 17028 1 131 . 1 1 15 15 SER HB2 H 1 3.824 . . 2 . . . . 170 SER HB1 . 17028 1 132 . 1 1 15 15 SER HB3 H 1 3.823 . . 2 . . . . 170 SER HB2 . 17028 1 133 . 1 1 15 15 SER C C 13 173.745 . . 1 . . . . 170 SER C . 17028 1 134 . 1 1 15 15 SER CA C 13 56.291 . . 1 . . . . 170 SER CA . 17028 1 135 . 1 1 15 15 SER CB C 13 64.633 . . 1 . . . . 170 SER CB . 17028 1 136 . 1 1 15 15 SER N N 15 110.297 . . 1 . . . . 170 SER N . 17028 1 137 . 1 1 16 16 THR H H 1 8.286 . . 1 . . . . 171 THR HN . 17028 1 138 . 1 1 16 16 THR HA H 1 4.719 . . 1 . . . . 171 THR HA . 17028 1 139 . 1 1 16 16 THR HB H 1 4.189 . . 1 . . . . 171 THR HB . 17028 1 140 . 1 1 16 16 THR HG21 H 1 0.893 . . 1 . . . . 171 THR HG21 . 17028 1 141 . 1 1 16 16 THR HG22 H 1 0.893 . . 1 . . . . 171 THR HG21 . 17028 1 142 . 1 1 16 16 THR HG23 H 1 0.893 . . 1 . . . . 171 THR HG21 . 17028 1 143 . 1 1 16 16 THR C C 13 171.485 . . 1 . . . . 171 THR C . 17028 1 144 . 1 1 16 16 THR CA C 13 60.683 . . 1 . . . . 171 THR CA . 17028 1 145 . 1 1 16 16 THR CB C 13 68.164 . . 1 . . . . 171 THR CB . 17028 1 146 . 1 1 16 16 THR CG2 C 13 18.328 . . 1 . . . . 171 THR CG2 . 17028 1 147 . 1 1 16 16 THR N N 15 116.575 . . 1 . . . . 171 THR N . 17028 1 148 . 1 1 17 17 SER H H 1 8.239 . . 1 . . . . 172 SER HN . 17028 1 149 . 1 1 17 17 SER HA H 1 5.916 . . 1 . . . . 172 SER HA . 17028 1 150 . 1 1 17 17 SER HB2 H 1 3.786 . . 2 . . . . 172 SER HB1 . 17028 1 151 . 1 1 17 17 SER HB3 H 1 3.785 . . 2 . . . . 172 SER HB2 . 17028 1 152 . 1 1 17 17 SER C C 13 172.219 . . 1 . . . . 172 SER C . 17028 1 153 . 1 1 17 17 SER CA C 13 56.245 . . 1 . . . . 172 SER CA . 17028 1 154 . 1 1 17 17 SER CB C 13 66.300 . . 1 . . . . 172 SER CB . 17028 1 155 . 1 1 17 17 SER N N 15 117.427 . . 1 . . . . 172 SER N . 17028 1 156 . 1 1 18 18 VAL H H 1 8.892 . . 1 . . . . 173 VAL HN . 17028 1 157 . 1 1 18 18 VAL HA H 1 4.431 . . 1 . . . . 173 VAL HA . 17028 1 158 . 1 1 18 18 VAL HB H 1 1.777 . . 1 . . . . 173 VAL HB . 17028 1 159 . 1 1 18 18 VAL HG11 H 1 0.639 . . 4 . . . . 173 VAL HG11 . 17028 1 160 . 1 1 18 18 VAL HG12 H 1 0.639 . . 4 . . . . 173 VAL HG11 . 17028 1 161 . 1 1 18 18 VAL HG13 H 1 0.639 . . 4 . . . . 173 VAL HG11 . 17028 1 162 . 1 1 18 18 VAL HG21 H 1 0.889 . . 4 . . . . 173 VAL HG21 . 17028 1 163 . 1 1 18 18 VAL HG22 H 1 0.889 . . 4 . . . . 173 VAL HG21 . 17028 1 164 . 1 1 18 18 VAL HG23 H 1 0.889 . . 4 . . . . 173 VAL HG21 . 17028 1 165 . 1 1 18 18 VAL C C 13 171.570 . . 1 . . . . 173 VAL C . 17028 1 166 . 1 1 18 18 VAL CA C 13 59.460 . . 1 . . . . 173 VAL CA . 17028 1 167 . 1 1 18 18 VAL CB C 13 35.443 . . 1 . . . . 173 VAL CB . 17028 1 168 . 1 1 18 18 VAL CG1 C 13 19.846 . . 2 . . . . 173 VAL CG1 . 17028 1 169 . 1 1 18 18 VAL CG2 C 13 19.846 . . 2 . . . . 173 VAL CG2 . 17028 1 170 . 1 1 18 18 VAL N N 15 121.471 . . 1 . . . . 173 VAL N . 17028 1 171 . 1 1 19 19 VAL H H 1 8.076 . . 1 . . . . 174 VAL HN . 17028 1 172 . 1 1 19 19 VAL HA H 1 4.181 . . 1 . . . . 174 VAL HA . 17028 1 173 . 1 1 19 19 VAL HB H 1 1.505 . . 1 . . . . 174 VAL HB . 17028 1 174 . 1 1 19 19 VAL HG11 H 1 0.832 . . 4 . . . . 174 VAL HG11 . 17028 1 175 . 1 1 19 19 VAL HG12 H 1 0.832 . . 4 . . . . 174 VAL HG11 . 17028 1 176 . 1 1 19 19 VAL HG13 H 1 0.832 . . 4 . . . . 174 VAL HG11 . 17028 1 177 . 1 1 19 19 VAL HG21 H 1 0.833 . . 4 . . . . 174 VAL HG21 . 17028 1 178 . 1 1 19 19 VAL HG22 H 1 0.833 . . 4 . . . . 174 VAL HG21 . 17028 1 179 . 1 1 19 19 VAL HG23 H 1 0.833 . . 4 . . . . 174 VAL HG21 . 17028 1 180 . 1 1 19 19 VAL C C 13 176.004 . . 1 . . . . 174 VAL C . 17028 1 181 . 1 1 19 19 VAL CA C 13 61.812 . . 1 . . . . 174 VAL CA . 17028 1 182 . 1 1 19 19 VAL CB C 13 32.474 . . 1 . . . . 174 VAL CB . 17028 1 183 . 1 1 19 19 VAL CG1 C 13 21.416 . . 2 . . . . 174 VAL CG1 . 17028 1 184 . 1 1 19 19 VAL CG2 C 13 21.416 . . 2 . . . . 174 VAL CG2 . 17028 1 185 . 1 1 19 19 VAL N N 15 128.646 . . 1 . . . . 174 VAL N . 17028 1 186 . 1 1 20 20 LYS H H 1 8.598 . . 1 . . . . 175 LYS HN . 17028 1 187 . 1 1 20 20 LYS HA H 1 3.362 . . 1 . . . . 175 LYS HA . 17028 1 188 . 1 1 20 20 LYS HB2 H 1 1.516 . . 2 . . . . 175 LYS HB1 . 17028 1 189 . 1 1 20 20 LYS HB3 H 1 1.517 . . 2 . . . . 175 LYS HB2 . 17028 1 190 . 1 1 20 20 LYS HD2 H 1 1.676 . . 2 . . . . 175 LYS HD1 . 17028 1 191 . 1 1 20 20 LYS HD3 H 1 1.675 . . 2 . . . . 175 LYS HD2 . 17028 1 192 . 1 1 20 20 LYS HE2 H 1 3.108 . . 2 . . . . 175 LYS HE1 . 17028 1 193 . 1 1 20 20 LYS HE3 H 1 3.107 . . 2 . . . . 175 LYS HE2 . 17028 1 194 . 1 1 20 20 LYS HG2 H 1 1.239 . . 2 . . . . 175 LYS HG1 . 17028 1 195 . 1 1 20 20 LYS HG3 H 1 1.238 . . 2 . . . . 175 LYS HG2 . 17028 1 196 . 1 1 20 20 LYS C C 13 176.137 . . 1 . . . . 175 LYS C . 17028 1 197 . 1 1 20 20 LYS CA C 13 58.861 . . 1 . . . . 175 LYS CA . 17028 1 198 . 1 1 20 20 LYS CB C 13 32.685 . . 1 . . . . 175 LYS CB . 17028 1 199 . 1 1 20 20 LYS CD C 13 30.449 . . 1 . . . . 175 LYS CD . 17028 1 200 . 1 1 20 20 LYS CE C 13 41.990 . . 1 . . . . 175 LYS CE . 17028 1 201 . 1 1 20 20 LYS CG C 13 23.656 . . 1 . . . . 175 LYS CG . 17028 1 202 . 1 1 20 20 LYS N N 15 125.468 . . 1 . . . . 175 LYS N . 17028 1 203 . 1 1 21 21 GLY H H 1 8.748 . . 1 . . . . 176 GLY HN . 17028 1 204 . 1 1 21 21 GLY HA2 H 1 4.344 . . 2 . . . . 176 GLY HA1 . 17028 1 205 . 1 1 21 21 GLY HA3 H 1 3.750 . . 2 . . . . 176 GLY HA2 . 17028 1 206 . 1 1 21 21 GLY C C 13 173.794 . . 1 . . . . 176 GLY C . 17028 1 207 . 1 1 21 21 GLY CA C 13 45.054 . . 1 . . . . 176 GLY CA . 17028 1 208 . 1 1 21 21 GLY N N 15 114.658 . . 1 . . . . 176 GLY N . 17028 1 209 . 1 1 22 22 GLN H H 1 8.578 . . 1 . . . . 177 GLN HN . 17028 1 210 . 1 1 22 22 GLN HA H 1 4.736 . . 1 . . . . 177 GLN HA . 17028 1 211 . 1 1 22 22 GLN HB2 H 1 2.412 . . 2 . . . . 177 GLN HB1 . 17028 1 212 . 1 1 22 22 GLN HB3 H 1 2.227 . . 2 . . . . 177 GLN HB2 . 17028 1 213 . 1 1 22 22 GLN HE21 H 1 7.584 . . 2 . . . . 177 GLN HE21 . 17028 1 214 . 1 1 22 22 GLN HE22 H 1 6.910 . . 2 . . . . 177 GLN HE22 . 17028 1 215 . 1 1 22 22 GLN HG2 H 1 2.287 . . 2 . . . . 177 GLN HG1 . 17028 1 216 . 1 1 22 22 GLN HG3 H 1 2.286 . . 2 . . . . 177 GLN HG2 . 17028 1 217 . 1 1 22 22 GLN C C 13 173.797 . . 1 . . . . 177 GLN C . 17028 1 218 . 1 1 22 22 GLN CA C 13 53.895 . . 1 . . . . 177 GLN CA . 17028 1 219 . 1 1 22 22 GLN CB C 13 30.244 . . 1 . . . . 177 GLN CB . 17028 1 220 . 1 1 22 22 GLN CG C 13 33.750 . . 1 . . . . 177 GLN CG . 17028 1 221 . 1 1 22 22 GLN N N 15 120.192 . . 1 . . . . 177 GLN N . 17028 1 222 . 1 1 22 22 GLN NE2 N 15 112.693 . . 1 . . . . 177 GLN NE2 . 17028 1 223 . 1 1 23 23 SER H H 1 8.239 . . 1 . . . . 178 SER HN . 17028 1 224 . 1 1 23 23 SER HA H 1 5.948 . . 1 . . . . 178 SER HA . 17028 1 225 . 1 1 23 23 SER HB2 H 1 3.794 . . 2 . . . . 178 SER HB1 . 17028 1 226 . 1 1 23 23 SER HB3 H 1 3.589 . . 2 . . . . 178 SER HB2 . 17028 1 227 . 1 1 23 23 SER C C 13 173.990 . . 1 . . . . 178 SER C . 17028 1 228 . 1 1 23 23 SER CA C 13 56.538 . . 1 . . . . 178 SER CA . 17028 1 229 . 1 1 23 23 SER CB C 13 66.812 . . 1 . . . . 178 SER CB . 17028 1 230 . 1 1 23 23 SER N N 15 112.520 . . 1 . . . . 178 SER N . 17028 1 231 . 1 1 24 24 THR H H 1 8.909 . . 1 . . . . 179 THR HN . 17028 1 232 . 1 1 24 24 THR HA H 1 4.862 . . 1 . . . . 179 THR HA . 17028 1 233 . 1 1 24 24 THR HB H 1 4.056 . . 1 . . . . 179 THR HB . 17028 1 234 . 1 1 24 24 THR HG21 H 1 0.874 . . 1 . . . . 179 THR HG21 . 17028 1 235 . 1 1 24 24 THR HG22 H 1 0.874 . . 1 . . . . 179 THR HG21 . 17028 1 236 . 1 1 24 24 THR HG23 H 1 0.874 . . 1 . . . . 179 THR HG21 . 17028 1 237 . 1 1 24 24 THR C C 13 172.030 . . 1 . . . . 179 THR C . 17028 1 238 . 1 1 24 24 THR CA C 13 59.992 . . 1 . . . . 179 THR CA . 17028 1 239 . 1 1 24 24 THR CB C 13 69.666 . . 1 . . . . 179 THR CB . 17028 1 240 . 1 1 24 24 THR CG2 C 13 18.054 . . 1 . . . . 179 THR CG2 . 17028 1 241 . 1 1 24 24 THR N N 15 116.545 . . 1 . . . . 179 THR N . 17028 1 242 . 1 1 25 25 THR H H 1 7.840 . . 1 . . . . 180 THR HN . 17028 1 243 . 1 1 25 25 THR HA H 1 5.588 . . 1 . . . . 180 THR HA . 17028 1 244 . 1 1 25 25 THR HB H 1 3.963 . . 1 . . . . 180 THR HB . 17028 1 245 . 1 1 25 25 THR HG21 H 1 1.125 . . 1 . . . . 180 THR HG21 . 17028 1 246 . 1 1 25 25 THR HG22 H 1 1.125 . . 1 . . . . 180 THR HG21 . 17028 1 247 . 1 1 25 25 THR HG23 H 1 1.125 . . 1 . . . . 180 THR HG21 . 17028 1 248 . 1 1 25 25 THR C C 13 173.417 . . 1 . . . . 180 THR C . 17028 1 249 . 1 1 25 25 THR CA C 13 60.242 . . 1 . . . . 180 THR CA . 17028 1 250 . 1 1 25 25 THR CB C 13 71.722 . . 1 . . . . 180 THR CB . 17028 1 251 . 1 1 25 25 THR CG2 C 13 21.670 . . 1 . . . . 180 THR CG2 . 17028 1 252 . 1 1 25 25 THR N N 15 113.872 . . 1 . . . . 180 THR N . 17028 1 253 . 1 1 26 26 LEU H H 1 9.398 . . 1 . . . . 181 LEU HN . 17028 1 254 . 1 1 26 26 LEU HA H 1 5.038 . . 1 . . . . 181 LEU HA . 17028 1 255 . 1 1 26 26 LEU HB2 H 1 1.495 . . 2 . . . . 181 LEU HB1 . 17028 1 256 . 1 1 26 26 LEU HB3 H 1 1.253 . . 2 . . . . 181 LEU HB2 . 17028 1 257 . 1 1 26 26 LEU HD11 H 1 0.507 . . 2 . . . . 181 LEU HD11 . 17028 1 258 . 1 1 26 26 LEU HD12 H 1 0.507 . . 2 . . . . 181 LEU HD11 . 17028 1 259 . 1 1 26 26 LEU HD13 H 1 0.507 . . 2 . . . . 181 LEU HD11 . 17028 1 260 . 1 1 26 26 LEU HD21 H 1 0.508 . . 2 . . . . 181 LEU HD21 . 17028 1 261 . 1 1 26 26 LEU HD22 H 1 0.508 . . 2 . . . . 181 LEU HD21 . 17028 1 262 . 1 1 26 26 LEU HD23 H 1 0.508 . . 2 . . . . 181 LEU HD21 . 17028 1 263 . 1 1 26 26 LEU HG H 1 0.735 . . 1 . . . . 181 LEU HG . 17028 1 264 . 1 1 26 26 LEU C C 13 176.265 . . 1 . . . . 181 LEU C . 17028 1 265 . 1 1 26 26 LEU CA C 13 52.560 . . 1 . . . . 181 LEU CA . 17028 1 266 . 1 1 26 26 LEU CB C 13 44.509 . . 1 . . . . 181 LEU CB . 17028 1 267 . 1 1 26 26 LEU CD1 C 13 27.423 . . 2 . . . . 181 LEU CD1 . 17028 1 268 . 1 1 26 26 LEU CD2 C 13 25.579 . . 2 . . . . 181 LEU CD2 . 17028 1 269 . 1 1 26 26 LEU CG C 13 22.333 . . 1 . . . . 181 LEU CG . 17028 1 270 . 1 1 26 26 LEU N N 15 122.108 . . 1 . . . . 181 LEU N . 17028 1 271 . 1 1 27 27 THR H H 1 9.058 . . 1 . . . . 182 THR HN . 17028 1 272 . 1 1 27 27 THR HA H 1 4.966 . . 1 . . . . 182 THR HA . 17028 1 273 . 1 1 27 27 THR HB H 1 3.805 . . 1 . . . . 182 THR HB . 17028 1 274 . 1 1 27 27 THR HG21 H 1 1.083 . . 1 . . . . 182 THR HG21 . 17028 1 275 . 1 1 27 27 THR HG22 H 1 1.083 . . 1 . . . . 182 THR HG21 . 17028 1 276 . 1 1 27 27 THR HG23 H 1 1.083 . . 1 . . . . 182 THR HG21 . 17028 1 277 . 1 1 27 27 THR C C 13 174.072 . . 1 . . . . 182 THR C . 17028 1 278 . 1 1 27 27 THR CA C 13 62.353 . . 1 . . . . 182 THR CA . 17028 1 279 . 1 1 27 27 THR CB C 13 70.907 . . 1 . . . . 182 THR CB . 17028 1 280 . 1 1 27 27 THR CG2 C 13 21.062 . . 1 . . . . 182 THR CG2 . 17028 1 281 . 1 1 27 27 THR N N 15 116.707 . . 1 . . . . 182 THR N . 17028 1 282 . 1 1 28 28 VAL H H 1 9.043 . . 1 . . . . 183 VAL HN . 17028 1 283 . 1 1 28 28 VAL HA H 1 4.390 . . 1 . . . . 183 VAL HA . 17028 1 284 . 1 1 28 28 VAL HB H 1 1.328 . . 1 . . . . 183 VAL HB . 17028 1 285 . 1 1 28 28 VAL HG11 H 1 -0.018 . . 4 . . . . 183 VAL HG11 . 17028 1 286 . 1 1 28 28 VAL HG12 H 1 -0.018 . . 4 . . . . 183 VAL HG11 . 17028 1 287 . 1 1 28 28 VAL HG13 H 1 -0.018 . . 4 . . . . 183 VAL HG11 . 17028 1 288 . 1 1 28 28 VAL HG21 H 1 0.042 . . 4 . . . . 183 VAL HG21 . 17028 1 289 . 1 1 28 28 VAL HG22 H 1 0.042 . . 4 . . . . 183 VAL HG21 . 17028 1 290 . 1 1 28 28 VAL HG23 H 1 0.042 . . 4 . . . . 183 VAL HG21 . 17028 1 291 . 1 1 28 28 VAL C C 13 173.353 . . 1 . . . . 183 VAL C . 17028 1 292 . 1 1 28 28 VAL CA C 13 61.551 . . 1 . . . . 183 VAL CA . 17028 1 293 . 1 1 28 28 VAL CB C 13 32.367 . . 1 . . . . 183 VAL CB . 17028 1 294 . 1 1 28 28 VAL CG1 C 13 20.945 . . 1 . . . . 183 VAL CG1 . 17028 1 295 . 1 1 28 28 VAL CG2 C 13 22.873 . . 2 . . . . 183 VAL CG2 . 17028 1 296 . 1 1 28 28 VAL N N 15 132.157 . . 1 . . . . 183 VAL N . 17028 1 297 . 1 1 29 29 ALA H H 1 8.326 . . 1 . . . . 184 ALA HN . 17028 1 298 . 1 1 29 29 ALA HA H 1 4.623 . . 1 . . . . 184 ALA HA . 17028 1 299 . 1 1 29 29 ALA HB1 H 1 1.132 . . 1 . . . . 184 ALA HB1 . 17028 1 300 . 1 1 29 29 ALA HB2 H 1 1.132 . . 1 . . . . 184 ALA HB1 . 17028 1 301 . 1 1 29 29 ALA HB3 H 1 1.132 . . 1 . . . . 184 ALA HB1 . 17028 1 302 . 1 1 29 29 ALA C C 13 174.674 . . 1 . . . . 184 ALA C . 17028 1 303 . 1 1 29 29 ALA CA C 13 51.031 . . 1 . . . . 184 ALA CA . 17028 1 304 . 1 1 29 29 ALA CB C 13 22.683 . . 1 . . . . 184 ALA CB . 17028 1 305 . 1 1 29 29 ALA N N 15 126.900 . . 1 . . . . 184 ALA N . 17028 1 306 . 1 1 30 30 PHE H H 1 8.709 . . 1 . . . . 185 PHE HN . 17028 1 307 . 1 1 30 30 PHE HA H 1 4.861 . . 1 . . . . 185 PHE HA . 17028 1 308 . 1 1 30 30 PHE HB2 H 1 2.883 . . 2 . . . . 185 PHE HB1 . 17028 1 309 . 1 1 30 30 PHE HB3 H 1 2.699 . . 2 . . . . 185 PHE HB2 . 17028 1 310 . 1 1 30 30 PHE HD1 H 1 7.141 . . 3 . . . . 185 PHE HD1 . 17028 1 311 . 1 1 30 30 PHE HD2 H 1 7.141 . . 3 . . . . 185 PHE HD2 . 17028 1 312 . 1 1 30 30 PHE C C 13 174.670 . . 1 . . . . 185 PHE C . 17028 1 313 . 1 1 30 30 PHE CA C 13 57.039 . . 1 . . . . 185 PHE CA . 17028 1 314 . 1 1 30 30 PHE CB C 13 42.280 . . 1 . . . . 185 PHE CB . 17028 1 315 . 1 1 30 30 PHE CD1 C 13 130.074 . . 3 . . . . 185 PHE CD1 . 17028 1 316 . 1 1 30 30 PHE CD2 C 13 130.074 . . 3 . . . . 185 PHE CD2 . 17028 1 317 . 1 1 30 30 PHE N N 15 118.760 . . 1 . . . . 185 PHE N . 17028 1 318 . 1 1 31 31 GLN H H 1 7.960 . . 1 . . . . 186 GLN HN . 17028 1 319 . 1 1 31 31 GLN HA H 1 4.451 . . 1 . . . . 186 GLN HA . 17028 1 320 . 1 1 31 31 GLN HB2 H 1 1.740 . . 2 . . . . 186 GLN HB1 . 17028 1 321 . 1 1 31 31 GLN HB3 H 1 1.615 . . 2 . . . . 186 GLN HB2 . 17028 1 322 . 1 1 31 31 GLN HE21 H 1 7.061 . . 2 . . . . 186 GLN HE21 . 17028 1 323 . 1 1 31 31 GLN HE22 H 1 6.005 . . 2 . . . . 186 GLN HE22 . 17028 1 324 . 1 1 31 31 GLN HG2 H 1 2.147 . . 2 . . . . 186 GLN HG1 . 17028 1 325 . 1 1 31 31 GLN HG3 H 1 2.021 . . 2 . . . . 186 GLN HG2 . 17028 1 326 . 1 1 31 31 GLN CA C 13 53.763 . . 1 . . . . 186 GLN CA . 17028 1 327 . 1 1 31 31 GLN CB C 13 30.258 . . 1 . . . . 186 GLN CB . 17028 1 328 . 1 1 31 31 GLN CG C 13 34.225 . . 1 . . . . 186 GLN CG . 17028 1 329 . 1 1 31 31 GLN N N 15 119.249 . . 1 . . . . 186 GLN N . 17028 1 330 . 1 1 31 31 GLN NE2 N 15 110.647 . . 1 . . . . 186 GLN NE2 . 17028 1 331 . 1 1 32 32 PRO HA H 1 4.689 . . 1 . . . . 187 PRO HA . 17028 1 332 . 1 1 32 32 PRO HB2 H 1 2.356 . . 2 . . . . 187 PRO HB1 . 17028 1 333 . 1 1 32 32 PRO HB3 H 1 2.355 . . 2 . . . . 187 PRO HB2 . 17028 1 334 . 1 1 32 32 PRO HD2 H 1 3.642 . . 2 . . . . 187 PRO HD1 . 17028 1 335 . 1 1 32 32 PRO HD3 H 1 3.641 . . 2 . . . . 187 PRO HD2 . 17028 1 336 . 1 1 32 32 PRO HG2 H 1 1.967 . . 2 . . . . 187 PRO HG1 . 17028 1 337 . 1 1 32 32 PRO HG3 H 1 1.585 . . 2 . . . . 187 PRO HG2 . 17028 1 338 . 1 1 32 32 PRO C C 13 175.247 . . 1 . . . . 187 PRO C . 17028 1 339 . 1 1 32 32 PRO CA C 13 62.558 . . 1 . . . . 187 PRO CA . 17028 1 340 . 1 1 32 32 PRO CB C 13 34.748 . . 1 . . . . 187 PRO CB . 17028 1 341 . 1 1 32 32 PRO CD C 13 49.885 . . 1 . . . . 187 PRO CD . 17028 1 342 . 1 1 32 32 PRO CG C 13 24.782 . . 1 . . . . 187 PRO CG . 17028 1 343 . 1 1 33 33 GLU H H 1 8.373 . . 1 . . . . 188 GLU HN . 17028 1 344 . 1 1 33 33 GLU HA H 1 4.205 . . 1 . . . . 188 GLU HA . 17028 1 345 . 1 1 33 33 GLU HB2 H 1 2.036 . . 2 . . . . 188 GLU HB1 . 17028 1 346 . 1 1 33 33 GLU HB3 H 1 2.037 . . 2 . . . . 188 GLU HB2 . 17028 1 347 . 1 1 33 33 GLU HG2 H 1 2.359 . . 2 . . . . 188 GLU HG1 . 17028 1 348 . 1 1 33 33 GLU HG3 H 1 2.364 . . 2 . . . . 188 GLU HG2 . 17028 1 349 . 1 1 33 33 GLU C C 13 177.814 . . 1 . . . . 188 GLU C . 17028 1 350 . 1 1 33 33 GLU CA C 13 58.576 . . 1 . . . . 188 GLU CA . 17028 1 351 . 1 1 33 33 GLU CB C 13 29.678 . . 1 . . . . 188 GLU CB . 17028 1 352 . 1 1 33 33 GLU CG C 13 36.420 . . 1 . . . . 188 GLU CG . 17028 1 353 . 1 1 33 33 GLU N N 15 117.395 . . 1 . . . . 188 GLU N . 17028 1 354 . 1 1 34 34 GLY H H 1 8.489 . . 1 . . . . 189 GLY HN . 17028 1 355 . 1 1 34 34 GLY HA2 H 1 4.004 . . 2 . . . . 189 GLY HA1 . 17028 1 356 . 1 1 34 34 GLY HA3 H 1 3.830 . . 2 . . . . 189 GLY HA2 . 17028 1 357 . 1 1 34 34 GLY C C 13 174.712 . . 1 . . . . 189 GLY C . 17028 1 358 . 1 1 34 34 GLY CA C 13 45.423 . . 1 . . . . 189 GLY CA . 17028 1 359 . 1 1 34 34 GLY N N 15 109.215 . . 1 . . . . 189 GLY N . 17028 1 360 . 1 1 35 35 VAL H H 1 7.220 . . 1 . . . . 190 VAL HN . 17028 1 361 . 1 1 35 35 VAL HA H 1 3.988 . . 1 . . . . 190 VAL HA . 17028 1 362 . 1 1 35 35 VAL HB H 1 2.019 . . 1 . . . . 190 VAL HB . 17028 1 363 . 1 1 35 35 VAL HG11 H 1 0.771 . . 4 . . . . 190 VAL HG11 . 17028 1 364 . 1 1 35 35 VAL HG12 H 1 0.771 . . 4 . . . . 190 VAL HG11 . 17028 1 365 . 1 1 35 35 VAL HG13 H 1 0.771 . . 4 . . . . 190 VAL HG11 . 17028 1 366 . 1 1 35 35 VAL HG21 H 1 0.896 . . 4 . . . . 190 VAL HG21 . 17028 1 367 . 1 1 35 35 VAL HG22 H 1 0.896 . . 4 . . . . 190 VAL HG21 . 17028 1 368 . 1 1 35 35 VAL HG23 H 1 0.896 . . 4 . . . . 190 VAL HG21 . 17028 1 369 . 1 1 35 35 VAL C C 13 176.603 . . 1 . . . . 190 VAL C . 17028 1 370 . 1 1 35 35 VAL CA C 13 62.917 . . 1 . . . . 190 VAL CA . 17028 1 371 . 1 1 35 35 VAL CB C 13 32.728 . . 1 . . . . 190 VAL CB . 17028 1 372 . 1 1 35 35 VAL CG1 C 13 21.327 . . 2 . . . . 190 VAL CG1 . 17028 1 373 . 1 1 35 35 VAL CG2 C 13 21.327 . . 2 . . . . 190 VAL CG2 . 17028 1 374 . 1 1 35 35 VAL N N 15 119.053 . . 1 . . . . 190 VAL N . 17028 1 375 . 1 1 36 36 THR H H 1 8.211 . . 1 . . . . 191 THR HN . 17028 1 376 . 1 1 36 36 THR HA H 1 4.154 . . 1 . . . . 191 THR HA . 17028 1 377 . 1 1 36 36 THR HG21 H 1 1.247 . . 1 . . . . 191 THR HG21 . 17028 1 378 . 1 1 36 36 THR HG22 H 1 1.247 . . 1 . . . . 191 THR HG21 . 17028 1 379 . 1 1 36 36 THR HG23 H 1 1.247 . . 1 . . . . 191 THR HG21 . 17028 1 380 . 1 1 36 36 THR C C 13 174.707 . . 1 . . . . 191 THR C . 17028 1 381 . 1 1 36 36 THR CA C 13 64.127 . . 1 . . . . 191 THR CA . 17028 1 382 . 1 1 36 36 THR CB C 13 69.131 . . 1 . . . . 191 THR CB . 17028 1 383 . 1 1 36 36 THR CG2 C 13 21.604 . . 1 . . . . 191 THR CG2 . 17028 1 384 . 1 1 36 36 THR N N 15 117.637 . . 1 . . . . 191 THR N . 17028 1 385 . 1 1 37 37 ASP H H 1 7.921 . . 1 . . . . 192 ASP HN . 17028 1 386 . 1 1 37 37 ASP HA H 1 4.639 . . 1 . . . . 192 ASP HA . 17028 1 387 . 1 1 37 37 ASP HB2 H 1 2.785 . . 2 . . . . 192 ASP HB1 . 17028 1 388 . 1 1 37 37 ASP HB3 H 1 2.442 . . 2 . . . . 192 ASP HB2 . 17028 1 389 . 1 1 37 37 ASP C C 13 174.648 . . 1 . . . . 192 ASP C . 17028 1 390 . 1 1 37 37 ASP CA C 13 53.567 . . 1 . . . . 192 ASP CA . 17028 1 391 . 1 1 37 37 ASP CB C 13 39.885 . . 1 . . . . 192 ASP CB . 17028 1 392 . 1 1 37 37 ASP N N 15 121.375 . . 1 . . . . 192 ASP N . 17028 1 393 . 1 1 38 38 LYS H H 1 8.100 . . 1 . . . . 193 LYS HN . 17028 1 394 . 1 1 38 38 LYS HA H 1 3.610 . . 1 . . . . 193 LYS HA . 17028 1 395 . 1 1 38 38 LYS HB2 H 1 2.021 . . 2 . . . . 193 LYS HB1 . 17028 1 396 . 1 1 38 38 LYS HB3 H 1 1.443 . . 2 . . . . 193 LYS HB2 . 17028 1 397 . 1 1 38 38 LYS HD2 H 1 1.740 . . 2 . . . . 193 LYS HD1 . 17028 1 398 . 1 1 38 38 LYS HD3 H 1 1.849 . . 2 . . . . 193 LYS HD2 . 17028 1 399 . 1 1 38 38 LYS HE2 H 1 3.129 . . 2 . . . . 193 LYS HE1 . 17028 1 400 . 1 1 38 38 LYS HE3 H 1 3.128 . . 2 . . . . 193 LYS HE2 . 17028 1 401 . 1 1 38 38 LYS HG2 H 1 1.151 . . 2 . . . . 193 LYS HG1 . 17028 1 402 . 1 1 38 38 LYS HG3 H 1 0.846 . . 2 . . . . 193 LYS HG2 . 17028 1 403 . 1 1 38 38 LYS C C 13 175.901 . . 1 . . . . 193 LYS C . 17028 1 404 . 1 1 38 38 LYS CA C 13 54.644 . . 1 . . . . 193 LYS CA . 17028 1 405 . 1 1 38 38 LYS CB C 13 32.196 . . 1 . . . . 193 LYS CB . 17028 1 406 . 1 1 38 38 LYS CD C 13 29.445 . . 1 . . . . 193 LYS CD . 17028 1 407 . 1 1 38 38 LYS CE C 13 42.486 . . 1 . . . . 193 LYS CE . 17028 1 408 . 1 1 38 38 LYS CG C 13 25.346 . . 1 . . . . 193 LYS CG . 17028 1 409 . 1 1 38 38 LYS N N 15 124.397 . . 1 . . . . 193 LYS N . 17028 1 410 . 1 1 39 39 SER H H 1 7.912 . . 1 . . . . 194 SER HN . 17028 1 411 . 1 1 39 39 SER HA H 1 4.361 . . 1 . . . . 194 SER HA . 17028 1 412 . 1 1 39 39 SER HB2 H 1 3.964 . . 2 . . . . 194 SER HB1 . 17028 1 413 . 1 1 39 39 SER HB3 H 1 3.868 . . 2 . . . . 194 SER HB2 . 17028 1 414 . 1 1 39 39 SER C C 13 175.617 . . 1 . . . . 194 SER C . 17028 1 415 . 1 1 39 39 SER CA C 13 59.223 . . 1 . . . . 194 SER CA . 17028 1 416 . 1 1 39 39 SER CB C 13 64.261 . . 1 . . . . 194 SER CB . 17028 1 417 . 1 1 39 39 SER N N 15 115.246 . . 1 . . . . 194 SER N . 17028 1 418 . 1 1 40 40 PHE H H 1 7.937 . . 1 . . . . 195 PHE HN . 17028 1 419 . 1 1 40 40 PHE HA H 1 5.223 . . 1 . . . . 195 PHE HA . 17028 1 420 . 1 1 40 40 PHE HB2 H 1 2.777 . . 1 . . . . 195 PHE HB1 . 17028 1 421 . 1 1 40 40 PHE HB3 H 1 3.270 . . 2 . . . . 195 PHE HB2 . 17028 1 422 . 1 1 40 40 PHE HD1 H 1 7.189 . . 3 . . . . 195 PHE HD1 . 17028 1 423 . 1 1 40 40 PHE HD2 H 1 7.189 . . 3 . . . . 195 PHE HD2 . 17028 1 424 . 1 1 40 40 PHE HE1 H 1 7.172 . . 3 . . . . 195 PHE HE1 . 17028 1 425 . 1 1 40 40 PHE HE2 H 1 7.172 . . 3 . . . . 195 PHE HE2 . 17028 1 426 . 1 1 40 40 PHE CA C 13 57.068 . . 1 . . . . 195 PHE CA . 17028 1 427 . 1 1 40 40 PHE CB C 13 41.207 . . 1 . . . . 195 PHE CB . 17028 1 428 . 1 1 40 40 PHE CE1 C 13 132.615 . . 3 . . . . 195 PHE CE1 . 17028 1 429 . 1 1 40 40 PHE CE2 C 13 132.615 . . 3 . . . . 195 PHE CE2 . 17028 1 430 . 1 1 40 40 PHE N N 15 117.593 . . 1 . . . . 195 PHE N . 17028 1 431 . 1 1 41 41 ARG H H 1 9.145 . . 1 . . . . 196 ARG HN . 17028 1 432 . 1 1 41 41 ARG HA H 1 4.678 . . 1 . . . . 196 ARG HA . 17028 1 433 . 1 1 41 41 ARG HB2 H 1 1.713 . . 2 . . . . 196 ARG HB1 . 17028 1 434 . 1 1 41 41 ARG HB3 H 1 1.712 . . 2 . . . . 196 ARG HB2 . 17028 1 435 . 1 1 41 41 ARG HD2 H 1 3.137 . . 2 . . . . 196 ARG HD1 . 17028 1 436 . 1 1 41 41 ARG HD3 H 1 3.138 . . 2 . . . . 196 ARG HD2 . 17028 1 437 . 1 1 41 41 ARG HG2 H 1 1.590 . . 2 . . . . 196 ARG HG1 . 17028 1 438 . 1 1 41 41 ARG HG3 H 1 1.591 . . 2 . . . . 196 ARG HG2 . 17028 1 439 . 1 1 41 41 ARG C C 13 174.055 . . 1 . . . . 196 ARG C . 17028 1 440 . 1 1 41 41 ARG CA C 13 54.662 . . 1 . . . . 196 ARG CA . 17028 1 441 . 1 1 41 41 ARG CB C 13 33.573 . . 1 . . . . 196 ARG CB . 17028 1 442 . 1 1 41 41 ARG CD C 13 43.512 . . 1 . . . . 196 ARG CD . 17028 1 443 . 1 1 41 41 ARG CG C 13 27.088 . . 1 . . . . 196 ARG CG . 17028 1 444 . 1 1 41 41 ARG N N 15 119.466 . . 1 . . . . 196 ARG N . 17028 1 445 . 1 1 42 42 ALA H H 1 8.776 . . 1 . . . . 197 ALA HN . 17028 1 446 . 1 1 42 42 ALA HA H 1 5.482 . . 1 . . . . 197 ALA HA . 17028 1 447 . 1 1 42 42 ALA HB1 H 1 1.221 . . 1 . . . . 197 ALA HB1 . 17028 1 448 . 1 1 42 42 ALA HB2 H 1 1.221 . . 1 . . . . 197 ALA HB1 . 17028 1 449 . 1 1 42 42 ALA HB3 H 1 1.221 . . 1 . . . . 197 ALA HB1 . 17028 1 450 . 1 1 42 42 ALA CA C 13 50.475 . . 1 . . . . 197 ALA CA . 17028 1 451 . 1 1 42 42 ALA CB C 13 23.131 . . 1 . . . . 197 ALA CB . 17028 1 452 . 1 1 42 42 ALA N N 15 126.744 . . 1 . . . . 197 ALA N . 17028 1 453 . 1 1 43 43 VAL H H 1 7.871 . . 1 . . . . 198 VAL HN . 17028 1 454 . 1 1 43 43 VAL HA H 1 4.259 . . 1 . . . . 198 VAL HA . 17028 1 455 . 1 1 43 43 VAL N N 15 119.336 . . 1 . . . . 198 VAL N . 17028 1 456 . 1 1 44 44 SER H H 1 8.394 . . 1 . . . . 199 SER HN . 17028 1 457 . 1 1 44 44 SER HA H 1 4.594 . . 1 . . . . 199 SER HA . 17028 1 458 . 1 1 44 44 SER HB2 H 1 3.899 . . 2 . . . . 199 SER HB1 . 17028 1 459 . 1 1 44 44 SER HB3 H 1 3.611 . . 2 . . . . 199 SER HB2 . 17028 1 460 . 1 1 44 44 SER C C 13 175.977 . . 1 . . . . 199 SER C . 17028 1 461 . 1 1 44 44 SER CA C 13 57.181 . . 1 . . . . 199 SER CA . 17028 1 462 . 1 1 44 44 SER CB C 13 64.604 . . 1 . . . . 199 SER CB . 17028 1 463 . 1 1 44 44 SER N N 15 114.614 . . 1 . . . . 199 SER N . 17028 1 464 . 1 1 45 45 ALA H H 1 8.436 . . 1 . . . . 200 ALA HN . 17028 1 465 . 1 1 45 45 ALA HA H 1 4.522 . . 1 . . . . 200 ALA HA . 17028 1 466 . 1 1 45 45 ALA HB1 H 1 1.513 . . 1 . . . . 200 ALA HB1 . 17028 1 467 . 1 1 45 45 ALA HB2 H 1 1.513 . . 1 . . . . 200 ALA HB1 . 17028 1 468 . 1 1 45 45 ALA HB3 H 1 1.513 . . 1 . . . . 200 ALA HB1 . 17028 1 469 . 1 1 45 45 ALA C C 13 176.864 . . 1 . . . . 200 ALA C . 17028 1 470 . 1 1 45 45 ALA CA C 13 53.209 . . 1 . . . . 200 ALA CA . 17028 1 471 . 1 1 45 45 ALA CB C 13 18.816 . . 1 . . . . 200 ALA CB . 17028 1 472 . 1 1 45 45 ALA N N 15 127.174 . . 1 . . . . 200 ALA N . 17028 1 473 . 1 1 46 46 ASP H H 1 8.029 . . 1 . . . . 201 ASP HN . 17028 1 474 . 1 1 46 46 ASP HA H 1 4.783 . . 1 . . . . 201 ASP HA . 17028 1 475 . 1 1 46 46 ASP HB2 H 1 2.862 . . 2 . . . . 201 ASP HB1 . 17028 1 476 . 1 1 46 46 ASP HB3 H 1 2.863 . . 2 . . . . 201 ASP HB2 . 17028 1 477 . 1 1 46 46 ASP C C 13 176.589 . . 1 . . . . 201 ASP C . 17028 1 478 . 1 1 46 46 ASP CA C 13 54.542 . . 1 . . . . 201 ASP CA . 17028 1 479 . 1 1 46 46 ASP CB C 13 40.303 . . 1 . . . . 201 ASP CB . 17028 1 480 . 1 1 46 46 ASP N N 15 114.937 . . 1 . . . . 201 ASP N . 17028 1 481 . 1 1 47 47 LYS H H 1 9.314 . . 1 . . . . 202 LYS HN . 17028 1 482 . 1 1 47 47 LYS HA H 1 4.629 . . 1 . . . . 202 LYS HA . 17028 1 483 . 1 1 47 47 LYS HB2 H 1 1.894 . . 2 . . . . 202 LYS HB1 . 17028 1 484 . 1 1 47 47 LYS HB3 H 1 1.893 . . 2 . . . . 202 LYS HB2 . 17028 1 485 . 1 1 47 47 LYS HD2 H 1 1.869 . . 2 . . . . 202 LYS HD1 . 17028 1 486 . 1 1 47 47 LYS HD3 H 1 1.868 . . 2 . . . . 202 LYS HD2 . 17028 1 487 . 1 1 47 47 LYS HE2 H 1 3.181 . . 2 . . . . 202 LYS HE1 . 17028 1 488 . 1 1 47 47 LYS HE3 H 1 3.182 . . 2 . . . . 202 LYS HE2 . 17028 1 489 . 1 1 47 47 LYS HG2 H 1 1.729 . . 2 . . . . 202 LYS HG1 . 17028 1 490 . 1 1 47 47 LYS HG3 H 1 1.728 . . 2 . . . . 202 LYS HG2 . 17028 1 491 . 1 1 47 47 LYS C C 13 176.544 . . 1 . . . . 202 LYS C . 17028 1 492 . 1 1 47 47 LYS CA C 13 58.514 . . 1 . . . . 202 LYS CA . 17028 1 493 . 1 1 47 47 LYS CB C 13 32.293 . . 1 . . . . 202 LYS CB . 17028 1 494 . 1 1 47 47 LYS CD C 13 30.089 . . 1 . . . . 202 LYS CD . 17028 1 495 . 1 1 47 47 LYS CE C 13 42.158 . . 1 . . . . 202 LYS CE . 17028 1 496 . 1 1 47 47 LYS CG C 13 25.987 . . 1 . . . . 202 LYS CG . 17028 1 497 . 1 1 47 47 LYS N N 15 128.184 . . 1 . . . . 202 LYS N . 17028 1 498 . 1 1 48 48 THR H H 1 8.338 . . 1 . . . . 203 THR HN . 17028 1 499 . 1 1 48 48 THR HA H 1 4.205 . . 1 . . . . 203 THR HA . 17028 1 500 . 1 1 48 48 THR HB H 1 4.266 . . 1 . . . . 203 THR HB . 17028 1 501 . 1 1 48 48 THR HG21 H 1 1.295 . . 1 . . . . 203 THR HG21 . 17028 1 502 . 1 1 48 48 THR HG22 H 1 1.295 . . 1 . . . . 203 THR HG21 . 17028 1 503 . 1 1 48 48 THR HG23 H 1 1.295 . . 1 . . . . 203 THR HG21 . 17028 1 504 . 1 1 48 48 THR C C 13 174.712 . . 1 . . . . 203 THR C . 17028 1 505 . 1 1 48 48 THR CA C 13 63.517 . . 1 . . . . 203 THR CA . 17028 1 506 . 1 1 48 48 THR CB C 13 68.548 . . 1 . . . . 203 THR CB . 17028 1 507 . 1 1 48 48 THR CG2 C 13 21.172 . . 1 . . . . 203 THR CG2 . 17028 1 508 . 1 1 48 48 THR N N 15 107.942 . . 1 . . . . 203 THR N . 17028 1 509 . 1 1 49 49 LYS H H 1 7.307 . . 1 . . . . 204 LYS HN . 17028 1 510 . 1 1 49 49 LYS HA H 1 4.656 . . 1 . . . . 204 LYS HA . 17028 1 511 . 1 1 49 49 LYS HB2 H 1 1.738 . . 2 . . . . 204 LYS HB1 . 17028 1 512 . 1 1 49 49 LYS HB3 H 1 1.537 . . 2 . . . . 204 LYS HB2 . 17028 1 513 . 1 1 49 49 LYS HD2 H 1 1.336 . . 2 . . . . 204 LYS HD1 . 17028 1 514 . 1 1 49 49 LYS HD3 H 1 1.335 . . 2 . . . . 204 LYS HD2 . 17028 1 515 . 1 1 49 49 LYS HE2 H 1 3.040 . . 2 . . . . 204 LYS HE1 . 17028 1 516 . 1 1 49 49 LYS HE3 H 1 3.041 . . 2 . . . . 204 LYS HE2 . 17028 1 517 . 1 1 49 49 LYS HG2 H 1 1.297 . . 2 . . . . 204 LYS HG1 . 17028 1 518 . 1 1 49 49 LYS HG3 H 1 1.168 . . 2 . . . . 204 LYS HG2 . 17028 1 519 . 1 1 49 49 LYS C C 13 176.804 . . 1 . . . . 204 LYS C . 17028 1 520 . 1 1 49 49 LYS CA C 13 56.703 . . 1 . . . . 204 LYS CA . 17028 1 521 . 1 1 49 49 LYS CB C 13 34.987 . . 1 . . . . 204 LYS CB . 17028 1 522 . 1 1 49 49 LYS CD C 13 29.263 . . 1 . . . . 204 LYS CD . 17028 1 523 . 1 1 49 49 LYS CE C 13 42.308 . . 1 . . . . 204 LYS CE . 17028 1 524 . 1 1 49 49 LYS CG C 13 25.196 . . 1 . . . . 204 LYS CG . 17028 1 525 . 1 1 49 49 LYS N N 15 116.426 . . 1 . . . . 204 LYS N . 17028 1 526 . 1 1 50 50 ALA H H 1 8.010 . . 1 . . . . 205 ALA HN . 17028 1 527 . 1 1 50 50 ALA HA H 1 5.383 . . 1 . . . . 205 ALA HA . 17028 1 528 . 1 1 50 50 ALA HB1 H 1 1.104 . . 1 . . . . 205 ALA HB1 . 17028 1 529 . 1 1 50 50 ALA HB2 H 1 1.104 . . 1 . . . . 205 ALA HB1 . 17028 1 530 . 1 1 50 50 ALA HB3 H 1 1.104 . . 1 . . . . 205 ALA HB1 . 17028 1 531 . 1 1 50 50 ALA C C 13 175.618 . . 1 . . . . 205 ALA C . 17028 1 532 . 1 1 50 50 ALA CA C 13 52.124 . . 1 . . . . 205 ALA CA . 17028 1 533 . 1 1 50 50 ALA CB C 13 22.293 . . 1 . . . . 205 ALA CB . 17028 1 534 . 1 1 50 50 ALA N N 15 118.939 . . 1 . . . . 205 ALA N . 17028 1 535 . 1 1 51 51 THR H H 1 8.285 . . 1 . . . . 206 THR HN . 17028 1 536 . 1 1 51 51 THR HA H 1 5.033 . . 1 . . . . 206 THR HA . 17028 1 537 . 1 1 51 51 THR HB H 1 4.469 . . 1 . . . . 206 THR HB . 17028 1 538 . 1 1 51 51 THR HG21 H 1 1.266 . . 1 . . . . 206 THR HG21 . 17028 1 539 . 1 1 51 51 THR HG22 H 1 1.266 . . 1 . . . . 206 THR HG21 . 17028 1 540 . 1 1 51 51 THR HG23 H 1 1.266 . . 1 . . . . 206 THR HG21 . 17028 1 541 . 1 1 51 51 THR C C 13 174.050 . . 1 . . . . 206 THR C . 17028 1 542 . 1 1 51 51 THR CA C 13 58.663 . . 1 . . . . 206 THR CA . 17028 1 543 . 1 1 51 51 THR CB C 13 71.182 . . 1 . . . . 206 THR CB . 17028 1 544 . 1 1 51 51 THR CG2 C 13 21.683 . . 1 . . . . 206 THR CG2 . 17028 1 545 . 1 1 51 51 THR N N 15 111.136 . . 1 . . . . 206 THR N . 17028 1 546 . 1 1 52 52 VAL H H 1 8.940 . . 1 . . . . 207 VAL HN . 17028 1 547 . 1 1 52 52 VAL HA H 1 5.718 . . 1 . . . . 207 VAL HA . 17028 1 548 . 1 1 52 52 VAL HB H 1 1.852 . . 1 . . . . 207 VAL HB . 17028 1 549 . 1 1 52 52 VAL HG11 H 1 0.743 . . 4 . . . . 207 VAL HG11 . 17028 1 550 . 1 1 52 52 VAL HG12 H 1 0.743 . . 4 . . . . 207 VAL HG11 . 17028 1 551 . 1 1 52 52 VAL HG13 H 1 0.743 . . 4 . . . . 207 VAL HG11 . 17028 1 552 . 1 1 52 52 VAL HG21 H 1 0.695 . . 4 . . . . 207 VAL HG21 . 17028 1 553 . 1 1 52 52 VAL HG22 H 1 0.695 . . 4 . . . . 207 VAL HG21 . 17028 1 554 . 1 1 52 52 VAL HG23 H 1 0.695 . . 4 . . . . 207 VAL HG21 . 17028 1 555 . 1 1 52 52 VAL C C 13 175.988 . . 1 . . . . 207 VAL C . 17028 1 556 . 1 1 52 52 VAL CA C 13 58.791 . . 1 . . . . 207 VAL CA . 17028 1 557 . 1 1 52 52 VAL CB C 13 36.280 . . 1 . . . . 207 VAL CB . 17028 1 558 . 1 1 52 52 VAL CG1 C 13 22.939 . . 2 . . . . 207 VAL CG1 . 17028 1 559 . 1 1 52 52 VAL CG2 C 13 19.405 . . 1 . . . . 207 VAL CG2 . 17028 1 560 . 1 1 52 52 VAL N N 15 112.839 . . 1 . . . . 207 VAL N . 17028 1 561 . 1 1 53 53 SER H H 1 8.754 . . 1 . . . . 208 SER HN . 17028 1 562 . 1 1 53 53 SER HA H 1 4.713 . . 1 . . . . 208 SER HA . 17028 1 563 . 1 1 53 53 SER HB2 H 1 3.753 . . 2 . . . . 208 SER HB1 . 17028 1 564 . 1 1 53 53 SER HB3 H 1 3.858 . . 2 . . . . 208 SER HB2 . 17028 1 565 . 1 1 53 53 SER C C 13 172.790 . . 1 . . . . 208 SER C . 17028 1 566 . 1 1 53 53 SER CA C 13 57.598 . . 1 . . . . 208 SER CA . 17028 1 567 . 1 1 53 53 SER CB C 13 65.341 . . 1 . . . . 208 SER CB . 17028 1 568 . 1 1 53 53 SER N N 15 117.148 . . 1 . . . . 208 SER N . 17028 1 569 . 1 1 54 54 VAL H H 1 8.806 . . 1 . . . . 209 VAL HN . 17028 1 570 . 1 1 54 54 VAL HA H 1 4.855 . . 1 . . . . 209 VAL HA . 17028 1 571 . 1 1 54 54 VAL HB H 1 1.932 . . 1 . . . . 209 VAL HB . 17028 1 572 . 1 1 54 54 VAL HG11 H 1 0.914 . . 4 . . . . 209 VAL HG11 . 17028 1 573 . 1 1 54 54 VAL HG12 H 1 0.914 . . 4 . . . . 209 VAL HG11 . 17028 1 574 . 1 1 54 54 VAL HG13 H 1 0.914 . . 4 . . . . 209 VAL HG11 . 17028 1 575 . 1 1 54 54 VAL HG21 H 1 1.032 . . 4 . . . . 209 VAL HG21 . 17028 1 576 . 1 1 54 54 VAL HG22 H 1 1.032 . . 4 . . . . 209 VAL HG21 . 17028 1 577 . 1 1 54 54 VAL HG23 H 1 1.032 . . 4 . . . . 209 VAL HG21 . 17028 1 578 . 1 1 54 54 VAL C C 13 175.835 . . 1 . . . . 209 VAL C . 17028 1 579 . 1 1 54 54 VAL CA C 13 61.853 . . 1 . . . . 209 VAL CA . 17028 1 580 . 1 1 54 54 VAL CB C 13 34.862 . . 1 . . . . 209 VAL CB . 17028 1 581 . 1 1 54 54 VAL CG1 C 13 22.358 . . 2 . . . . 209 VAL CG1 . 17028 1 582 . 1 1 54 54 VAL CG2 C 13 22.358 . . 2 . . . . 209 VAL CG2 . 17028 1 583 . 1 1 54 54 VAL N N 15 123.857 . . 1 . . . . 209 VAL N . 17028 1 584 . 1 1 55 55 SER H H 1 8.397 . . 1 . . . . 210 SER HN . 17028 1 585 . 1 1 55 55 SER HA H 1 4.604 . . 1 . . . . 210 SER HA . 17028 1 586 . 1 1 55 55 SER HB2 H 1 3.774 . . 2 . . . . 210 SER HB1 . 17028 1 587 . 1 1 55 55 SER HB3 H 1 3.493 . . 2 . . . . 210 SER HB2 . 17028 1 588 . 1 1 55 55 SER C C 13 174.791 . . 1 . . . . 210 SER C . 17028 1 589 . 1 1 55 55 SER CA C 13 57.370 . . 1 . . . . 210 SER CA . 17028 1 590 . 1 1 55 55 SER CB C 13 63.729 . . 1 . . . . 210 SER CB . 17028 1 591 . 1 1 55 55 SER N N 15 121.712 . . 1 . . . . 210 SER N . 17028 1 592 . 1 1 56 56 GLY H H 1 9.209 . . 1 . . . . 211 GLY HN . 17028 1 593 . 1 1 56 56 GLY HA2 H 1 4.063 . . 2 . . . . 211 GLY HA1 . 17028 1 594 . 1 1 56 56 GLY HA3 H 1 3.755 . . 2 . . . . 211 GLY HA2 . 17028 1 595 . 1 1 56 56 GLY C C 13 174.414 . . 1 . . . . 211 GLY C . 17028 1 596 . 1 1 56 56 GLY CA C 13 47.330 . . 1 . . . . 211 GLY CA . 17028 1 597 . 1 1 56 56 GLY N N 15 119.681 . . 1 . . . . 211 GLY N . 17028 1 598 . 1 1 57 57 MET H H 1 8.756 . . 1 . . . . 212 MET HN . 17028 1 599 . 1 1 57 57 MET HA H 1 5.217 . . 1 . . . . 212 MET HA . 17028 1 600 . 1 1 57 57 MET HB2 H 1 3.188 . . 1 . . . . 212 MET HB1 . 17028 1 601 . 1 1 57 57 MET HB3 H 1 2.015 . . 2 . . . . 212 MET HB2 . 17028 1 602 . 1 1 57 57 MET HE1 H 1 2.318 . . 1 . . . . 212 MET HE1 . 17028 1 603 . 1 1 57 57 MET HE2 H 1 2.317 . . 1 . . . . 212 MET HE2 . 17028 1 604 . 1 1 57 57 MET HE3 H 1 2.317 . . 1 . . . . 212 MET HE2 . 17028 1 605 . 1 1 57 57 MET HG2 H 1 3.013 . . 1 . . . . 212 MET HG1 . 17028 1 606 . 1 1 57 57 MET HG3 H 1 2.679 . . 2 . . . . 212 MET HG2 . 17028 1 607 . 1 1 57 57 MET C C 13 175.382 . . 1 . . . . 212 MET C . 17028 1 608 . 1 1 57 57 MET CA C 13 53.624 . . 1 . . . . 212 MET CA . 17028 1 609 . 1 1 57 57 MET CB C 13 29.931 . . 1 . . . . 212 MET CB . 17028 1 610 . 1 1 57 57 MET CE C 13 16.695 . . 1 . . . . 212 MET CE . 17028 1 611 . 1 1 57 57 MET CG C 13 32.337 . . 1 . . . . 212 MET CG . 17028 1 612 . 1 1 57 57 MET N N 15 123.687 . . 1 . . . . 212 MET N . 17028 1 613 . 1 1 58 58 THR H H 1 8.420 . . 1 . . . . 213 THR HN . 17028 1 614 . 1 1 58 58 THR HA H 1 5.058 . . 1 . . . . 213 THR HA . 17028 1 615 . 1 1 58 58 THR HB H 1 4.288 . . 1 . . . . 213 THR HB . 17028 1 616 . 1 1 58 58 THR HG21 H 1 1.213 . . 1 . . . . 213 THR HG21 . 17028 1 617 . 1 1 58 58 THR HG22 H 1 1.213 . . 1 . . . . 213 THR HG21 . 17028 1 618 . 1 1 58 58 THR HG23 H 1 1.213 . . 1 . . . . 213 THR HG21 . 17028 1 619 . 1 1 58 58 THR C C 13 174.386 . . 1 . . . . 213 THR C . 17028 1 620 . 1 1 58 58 THR CA C 13 62.182 . . 1 . . . . 213 THR CA . 17028 1 621 . 1 1 58 58 THR CB C 13 70.085 . . 1 . . . . 213 THR CB . 17028 1 622 . 1 1 58 58 THR CG2 C 13 21.472 . . 1 . . . . 213 THR CG2 . 17028 1 623 . 1 1 58 58 THR N N 15 114.100 . . 1 . . . . 213 THR N . 17028 1 624 . 1 1 59 59 ILE H H 1 9.432 . . 1 . . . . 214 ILE HN . 17028 1 625 . 1 1 59 59 ILE HA H 1 4.582 . . 1 . . . . 214 ILE HA . 17028 1 626 . 1 1 59 59 ILE HB H 1 1.649 . . 1 . . . . 214 ILE HB . 17028 1 627 . 1 1 59 59 ILE HD11 H 1 0.526 . . 1 . . . . 214 ILE HD11 . 17028 1 628 . 1 1 59 59 ILE HD12 H 1 0.526 . . 1 . . . . 214 ILE HD11 . 17028 1 629 . 1 1 59 59 ILE HD13 H 1 0.526 . . 1 . . . . 214 ILE HD11 . 17028 1 630 . 1 1 59 59 ILE HG12 H 1 0.868 . . 9 . . . . 214 ILE HG11 . 17028 1 631 . 1 1 59 59 ILE HG13 H 1 0.867 . . 1 . . . . 214 ILE HG12 . 17028 1 632 . 1 1 59 59 ILE HG21 H 1 0.669 . . 2 . . . . 214 ILE HG21 . 17028 1 633 . 1 1 59 59 ILE HG22 H 1 0.669 . . 2 . . . . 214 ILE HG21 . 17028 1 634 . 1 1 59 59 ILE HG23 H 1 0.669 . . 2 . . . . 214 ILE HG21 . 17028 1 635 . 1 1 59 59 ILE C C 13 175.630 . . 1 . . . . 214 ILE C . 17028 1 636 . 1 1 59 59 ILE CA C 13 60.165 . . 1 . . . . 214 ILE CA . 17028 1 637 . 1 1 59 59 ILE CB C 13 40.353 . . 1 . . . . 214 ILE CB . 17028 1 638 . 1 1 59 59 ILE CD1 C 13 15.848 . . 1 . . . . 214 ILE CD1 . 17028 1 639 . 1 1 59 59 ILE CG1 C 13 27.308 . . 1 . . . . 214 ILE CG1 . 17028 1 640 . 1 1 59 59 ILE CG2 C 13 17.467 . . 1 . . . . 214 ILE CG2 . 17028 1 641 . 1 1 59 59 ILE N N 15 128.498 . . 1 . . . . 214 ILE N . 17028 1 642 . 1 1 60 60 THR H H 1 9.506 . . 1 . . . . 215 THR HN . 17028 1 643 . 1 1 60 60 THR HA H 1 4.709 . . 1 . . . . 215 THR HA . 17028 1 644 . 1 1 60 60 THR HB H 1 4.062 . . 1 . . . . 215 THR HB . 17028 1 645 . 1 1 60 60 THR HG21 H 1 1.089 . . 1 . . . . 215 THR HG21 . 17028 1 646 . 1 1 60 60 THR HG22 H 1 1.089 . . 1 . . . . 215 THR HG21 . 17028 1 647 . 1 1 60 60 THR HG23 H 1 1.089 . . 1 . . . . 215 THR HG21 . 17028 1 648 . 1 1 60 60 THR C C 13 173.168 . . 1 . . . . 215 THR C . 17028 1 649 . 1 1 60 60 THR CA C 13 63.515 . . 1 . . . . 215 THR CA . 17028 1 650 . 1 1 60 60 THR CB C 13 68.620 . . 1 . . . . 215 THR CB . 17028 1 651 . 1 1 60 60 THR CG2 C 13 20.883 . . 1 . . . . 215 THR CG2 . 17028 1 652 . 1 1 60 60 THR N N 15 126.049 . . 1 . . . . 215 THR N . 17028 1 653 . 1 1 61 61 VAL H H 1 9.105 . . 1 . . . . 216 VAL HN . 17028 1 654 . 1 1 61 61 VAL HA H 1 4.629 . . 1 . . . . 216 VAL HA . 17028 1 655 . 1 1 61 61 VAL HB H 1 1.764 . . 1 . . . . 216 VAL HB . 17028 1 656 . 1 1 61 61 VAL HG11 H 1 0.677 . . 4 . . . . 216 VAL HG11 . 17028 1 657 . 1 1 61 61 VAL HG12 H 1 0.677 . . 4 . . . . 216 VAL HG11 . 17028 1 658 . 1 1 61 61 VAL HG13 H 1 0.677 . . 4 . . . . 216 VAL HG11 . 17028 1 659 . 1 1 61 61 VAL HG21 H 1 0.676 . . 4 . . . . 216 VAL HG21 . 17028 1 660 . 1 1 61 61 VAL HG22 H 1 0.676 . . 4 . . . . 216 VAL HG21 . 17028 1 661 . 1 1 61 61 VAL HG23 H 1 0.676 . . 4 . . . . 216 VAL HG21 . 17028 1 662 . 1 1 61 61 VAL C C 13 174.383 . . 1 . . . . 216 VAL C . 17028 1 663 . 1 1 61 61 VAL CA C 13 60.489 . . 1 . . . . 216 VAL CA . 17028 1 664 . 1 1 61 61 VAL CB C 13 33.402 . . 1 . . . . 216 VAL CB . 17028 1 665 . 1 1 61 61 VAL CG1 C 13 20.938 . . 2 . . . . 216 VAL CG1 . 17028 1 666 . 1 1 61 61 VAL CG2 C 13 20.938 . . 2 . . . . 216 VAL CG2 . 17028 1 667 . 1 1 61 61 VAL N N 15 127.504 . . 1 . . . . 216 VAL N . 17028 1 668 . 1 1 62 62 ASN H H 1 9.193 . . 1 . . . . 217 ASN HN . 17028 1 669 . 1 1 62 62 ASN HA H 1 5.047 . . 1 . . . . 217 ASN HA . 17028 1 670 . 1 1 62 62 ASN HB2 H 1 2.875 . . 1 . . . . 217 ASN HB1 . 17028 1 671 . 1 1 62 62 ASN HB3 H 1 2.504 . . 2 . . . . 217 ASN HB2 . 17028 1 672 . 1 1 62 62 ASN HD21 H 1 6.957 . . 2 . . . . 217 ASN HD21 . 17028 1 673 . 1 1 62 62 ASN HD22 H 1 6.718 . . 2 . . . . 217 ASN HD22 . 17028 1 674 . 1 1 62 62 ASN C C 13 175.306 . . 1 . . . . 217 ASN C . 17028 1 675 . 1 1 62 62 ASN CA C 13 51.805 . . 1 . . . . 217 ASN CA . 17028 1 676 . 1 1 62 62 ASN CB C 13 39.354 . . 1 . . . . 217 ASN CB . 17028 1 677 . 1 1 62 62 ASN N N 15 125.267 . . 1 . . . . 217 ASN N . 17028 1 678 . 1 1 62 62 ASN ND2 N 15 112.997 . . 1 . . . . 217 ASN ND2 . 17028 1 679 . 1 1 63 63 GLY H H 1 8.978 . . 1 . . . . 218 GLY HN . 17028 1 680 . 1 1 63 63 GLY HA2 H 1 4.084 . . 2 . . . . 218 GLY HA1 . 17028 1 681 . 1 1 63 63 GLY HA3 H 1 3.293 . . 2 . . . . 218 GLY HA2 . 17028 1 682 . 1 1 63 63 GLY C C 13 173.180 . . 1 . . . . 218 GLY C . 17028 1 683 . 1 1 63 63 GLY CA C 13 47.801 . . 1 . . . . 218 GLY CA . 17028 1 684 . 1 1 63 63 GLY N N 15 109.336 . . 1 . . . . 218 GLY N . 17028 1 685 . 1 1 64 64 VAL H H 1 9.179 . . 1 . . . . 219 VAL HN . 17028 1 686 . 1 1 64 64 VAL HA H 1 4.100 . . 1 . . . . 219 VAL HA . 17028 1 687 . 1 1 64 64 VAL HB H 1 1.593 . . 1 . . . . 219 VAL HB . 17028 1 688 . 1 1 64 64 VAL HG11 H 1 0.863 . . 4 . . . . 219 VAL HG11 . 17028 1 689 . 1 1 64 64 VAL HG12 H 1 0.863 . . 4 . . . . 219 VAL HG11 . 17028 1 690 . 1 1 64 64 VAL HG13 H 1 0.863 . . 4 . . . . 219 VAL HG11 . 17028 1 691 . 1 1 64 64 VAL HG21 H 1 0.862 . . 4 . . . . 219 VAL HG21 . 17028 1 692 . 1 1 64 64 VAL HG22 H 1 0.862 . . 4 . . . . 219 VAL HG21 . 17028 1 693 . 1 1 64 64 VAL HG23 H 1 0.862 . . 4 . . . . 219 VAL HG21 . 17028 1 694 . 1 1 64 64 VAL C C 13 175.239 . . 1 . . . . 219 VAL C . 17028 1 695 . 1 1 64 64 VAL CA C 13 64.514 . . 1 . . . . 219 VAL CA . 17028 1 696 . 1 1 64 64 VAL CB C 13 33.531 . . 1 . . . . 219 VAL CB . 17028 1 697 . 1 1 64 64 VAL CG1 C 13 19.148 . . 2 . . . . 219 VAL CG1 . 17028 1 698 . 1 1 64 64 VAL CG2 C 13 21.123 . . 2 . . . . 219 VAL CG2 . 17028 1 699 . 1 1 64 64 VAL N N 15 130.846 . . 1 . . . . 219 VAL N . 17028 1 700 . 1 1 65 65 ALA H H 1 8.238 . . 1 . . . . 220 ALA HN . 17028 1 701 . 1 1 65 65 ALA HA H 1 4.335 . . 1 . . . . 220 ALA HA . 17028 1 702 . 1 1 65 65 ALA HB1 H 1 1.523 . . 1 . . . . 220 ALA HB1 . 17028 1 703 . 1 1 65 65 ALA HB2 H 1 1.523 . . 1 . . . . 220 ALA HB1 . 17028 1 704 . 1 1 65 65 ALA HB3 H 1 1.523 . . 1 . . . . 220 ALA HB1 . 17028 1 705 . 1 1 65 65 ALA C C 13 173.779 . . 1 . . . . 220 ALA C . 17028 1 706 . 1 1 65 65 ALA CA C 13 52.112 . . 1 . . . . 220 ALA CA . 17028 1 707 . 1 1 65 65 ALA CB C 13 21.972 . . 1 . . . . 220 ALA CB . 17028 1 708 . 1 1 65 65 ALA N N 15 121.742 . . 1 . . . . 220 ALA N . 17028 1 709 . 1 1 66 66 ALA H H 1 8.046 . . 1 . . . . 221 ALA HN . 17028 1 710 . 1 1 66 66 ALA HA H 1 3.866 . . 1 . . . . 221 ALA HA . 17028 1 711 . 1 1 66 66 ALA HB1 H 1 1.278 . . 1 . . . . 221 ALA HB1 . 17028 1 712 . 1 1 66 66 ALA HB2 H 1 1.278 . . 1 . . . . 221 ALA HB1 . 17028 1 713 . 1 1 66 66 ALA HB3 H 1 1.278 . . 1 . . . . 221 ALA HB1 . 17028 1 714 . 1 1 66 66 ALA C C 13 177.509 . . 1 . . . . 221 ALA C . 17028 1 715 . 1 1 66 66 ALA CA C 13 52.288 . . 1 . . . . 221 ALA CA . 17028 1 716 . 1 1 66 66 ALA CB C 13 19.062 . . 1 . . . . 221 ALA CB . 17028 1 717 . 1 1 66 66 ALA N N 15 117.491 . . 1 . . . . 221 ALA N . 17028 1 718 . 1 1 67 67 GLY H H 1 8.692 . . 1 . . . . 222 GLY HN . 17028 1 719 . 1 1 67 67 GLY HA2 H 1 4.312 . . 2 . . . . 222 GLY HA1 . 17028 1 720 . 1 1 67 67 GLY HA3 H 1 3.835 . . 2 . . . . 222 GLY HA2 . 17028 1 721 . 1 1 67 67 GLY C C 13 170.952 . . 1 . . . . 222 GLY C . 17028 1 722 . 1 1 67 67 GLY CA C 13 44.131 . . 1 . . . . 222 GLY CA . 17028 1 723 . 1 1 67 67 GLY N N 15 108.613 . . 1 . . . . 222 GLY N . 17028 1 724 . 1 1 68 68 LYS H H 1 8.422 . . 1 . . . . 223 LYS HN . 17028 1 725 . 1 1 68 68 LYS HA H 1 5.258 . . 1 . . . . 223 LYS HA . 17028 1 726 . 1 1 68 68 LYS HB2 H 1 1.701 . . 2 . . . . 223 LYS HB1 . 17028 1 727 . 1 1 68 68 LYS HB3 H 1 1.702 . . 2 . . . . 223 LYS HB2 . 17028 1 728 . 1 1 68 68 LYS HD2 H 1 1.605 . . 2 . . . . 223 LYS HD1 . 17028 1 729 . 1 1 68 68 LYS HD3 H 1 1.604 . . 2 . . . . 223 LYS HD2 . 17028 1 730 . 1 1 68 68 LYS HE2 H 1 2.878 . . 2 . . . . 223 LYS HE1 . 17028 1 731 . 1 1 68 68 LYS HE3 H 1 2.877 . . 2 . . . . 223 LYS HE2 . 17028 1 732 . 1 1 68 68 LYS HG2 H 1 1.410 . . 2 . . . . 223 LYS HG1 . 17028 1 733 . 1 1 68 68 LYS HG3 H 1 1.411 . . 2 . . . . 223 LYS HG2 . 17028 1 734 . 1 1 68 68 LYS C C 13 175.657 . . 1 . . . . 223 LYS C . 17028 1 735 . 1 1 68 68 LYS CA C 13 55.618 . . 1 . . . . 223 LYS CA . 17028 1 736 . 1 1 68 68 LYS CB C 13 34.221 . . 1 . . . . 223 LYS CB . 17028 1 737 . 1 1 68 68 LYS CD C 13 29.320 . . 1 . . . . 223 LYS CD . 17028 1 738 . 1 1 68 68 LYS CE C 13 42.178 . . 1 . . . . 223 LYS CE . 17028 1 739 . 1 1 68 68 LYS CG C 13 25.163 . . 1 . . . . 223 LYS CG . 17028 1 740 . 1 1 68 68 LYS N N 15 120.496 . . 1 . . . . 223 LYS N . 17028 1 741 . 1 1 69 69 VAL H H 1 9.377 . . 1 . . . . 224 VAL HN . 17028 1 742 . 1 1 69 69 VAL HA H 1 4.595 . . 1 . . . . 224 VAL HA . 17028 1 743 . 1 1 69 69 VAL HB H 1 1.942 . . 1 . . . . 224 VAL HB . 17028 1 744 . 1 1 69 69 VAL HG11 H 1 0.807 . . 4 . . . . 224 VAL HG11 . 17028 1 745 . 1 1 69 69 VAL HG12 H 1 0.807 . . 4 . . . . 224 VAL HG11 . 17028 1 746 . 1 1 69 69 VAL HG13 H 1 0.807 . . 4 . . . . 224 VAL HG11 . 17028 1 747 . 1 1 69 69 VAL HG21 H 1 1.163 . . 4 . . . . 224 VAL HG21 . 17028 1 748 . 1 1 69 69 VAL HG22 H 1 1.163 . . 4 . . . . 224 VAL HG21 . 17028 1 749 . 1 1 69 69 VAL HG23 H 1 1.163 . . 4 . . . . 224 VAL HG21 . 17028 1 750 . 1 1 69 69 VAL C C 13 171.691 . . 1 . . . . 224 VAL C . 17028 1 751 . 1 1 69 69 VAL CA C 13 59.747 . . 1 . . . . 224 VAL CA . 17028 1 752 . 1 1 69 69 VAL CB C 13 34.706 . . 1 . . . . 224 VAL CB . 17028 1 753 . 1 1 69 69 VAL CG1 C 13 19.460 . . 2 . . . . 224 VAL CG1 . 17028 1 754 . 1 1 69 69 VAL CG2 C 13 22.946 . . 2 . . . . 224 VAL CG2 . 17028 1 755 . 1 1 69 69 VAL N N 15 123.200 . . 1 . . . . 224 VAL N . 17028 1 756 . 1 1 70 70 ASN H H 1 8.228 . . 1 . . . . 225 ASN HN . 17028 1 757 . 1 1 70 70 ASN HA H 1 5.494 . . 1 . . . . 225 ASN HA . 17028 1 758 . 1 1 70 70 ASN HB2 H 1 2.531 . . 2 . . . . 225 ASN HB1 . 17028 1 759 . 1 1 70 70 ASN HB3 H 1 2.127 . . 2 . . . . 225 ASN HB2 . 17028 1 760 . 1 1 70 70 ASN HD21 H 1 7.088 . . 2 . . . . 225 ASN HD21 . 17028 1 761 . 1 1 70 70 ASN HD22 H 1 7.002 . . 2 . . . . 225 ASN HD22 . 17028 1 762 . 1 1 70 70 ASN C C 13 174.270 . . 1 . . . . 225 ASN C . 17028 1 763 . 1 1 70 70 ASN CA C 13 51.936 . . 1 . . . . 225 ASN CA . 17028 1 764 . 1 1 70 70 ASN CB C 13 41.003 . . 1 . . . . 225 ASN CB . 17028 1 765 . 1 1 70 70 ASN N N 15 124.445 . . 1 . . . . 225 ASN N . 17028 1 766 . 1 1 70 70 ASN ND2 N 15 111.132 . . 1 . . . . 225 ASN ND2 . 17028 1 767 . 1 1 71 71 ILE H H 1 9.145 . . 1 . . . . 226 ILE HN . 17028 1 768 . 1 1 71 71 ILE HA H 1 4.952 . . 1 . . . . 226 ILE HA . 17028 1 769 . 1 1 71 71 ILE HB H 1 2.195 . . 1 . . . . 226 ILE HB . 17028 1 770 . 1 1 71 71 ILE HD11 H 1 0.624 . . 1 . . . . 226 ILE HD11 . 17028 1 771 . 1 1 71 71 ILE HD12 H 1 0.624 . . 1 . . . . 226 ILE HD11 . 17028 1 772 . 1 1 71 71 ILE HD13 H 1 0.624 . . 1 . . . . 226 ILE HD11 . 17028 1 773 . 1 1 71 71 ILE HG12 H 1 1.354 . . 1 . . . . 226 ILE HG11 . 17028 1 774 . 1 1 71 71 ILE HG13 H 1 1.175 . . 1 . . . . 226 ILE HG12 . 17028 1 775 . 1 1 71 71 ILE HG21 H 1 0.569 . . 2 . . . . 226 ILE HG21 . 17028 1 776 . 1 1 71 71 ILE HG22 H 1 0.569 . . 2 . . . . 226 ILE HG21 . 17028 1 777 . 1 1 71 71 ILE HG23 H 1 0.569 . . 2 . . . . 226 ILE HG21 . 17028 1 778 . 1 1 71 71 ILE CA C 13 55.944 . . 1 . . . . 226 ILE CA . 17028 1 779 . 1 1 71 71 ILE CB C 13 37.897 . . 1 . . . . 226 ILE CB . 17028 1 780 . 1 1 71 71 ILE CD1 C 13 11.914 . . 1 . . . . 226 ILE CD1 . 17028 1 781 . 1 1 71 71 ILE CG1 C 13 26.788 . . 1 . . . . 226 ILE CG1 . 17028 1 782 . 1 1 71 71 ILE CG2 C 13 16.695 . . 1 . . . . 226 ILE CG2 . 17028 1 783 . 1 1 71 71 ILE N N 15 119.466 . . 1 . . . . 226 ILE N . 17028 1 784 . 1 1 72 72 PRO HB2 H 1 2.013 . . 1 . . . . 227 PRO HB1 . 17028 1 785 . 1 1 72 72 PRO HB3 H 1 2.120 . . 1 . . . . 227 PRO HB2 . 17028 1 786 . 1 1 72 72 PRO HD2 H 1 3.102 . . 1 . . . . 227 PRO HD1 . 17028 1 787 . 1 1 72 72 PRO HD3 H 1 3.103 . . 2 . . . . 227 PRO HD2 . 17028 1 788 . 1 1 72 72 PRO HG2 H 1 1.497 . . 1 . . . . 227 PRO HG1 . 17028 1 789 . 1 1 72 72 PRO HG3 H 1 1.496 . . 2 . . . . 227 PRO HG2 . 17028 1 790 . 1 1 72 72 PRO C C 13 177.625 . . 1 . . . . 227 PRO C . 17028 1 791 . 1 1 72 72 PRO CB C 13 28.117 . . 1 . . . . 227 PRO CB . 17028 1 792 . 1 1 72 72 PRO CD C 13 50.429 . . 1 . . . . 227 PRO CD . 17028 1 793 . 1 1 72 72 PRO CG C 13 28.382 . . 1 . . . . 227 PRO CG . 17028 1 794 . 1 1 73 73 VAL H H 1 8.426 . . 1 . . . . 228 VAL HN . 17028 1 795 . 1 1 73 73 VAL HA H 1 4.977 . . 1 . . . . 228 VAL HA . 17028 1 796 . 1 1 73 73 VAL HB H 1 1.756 . . 1 . . . . 228 VAL HB . 17028 1 797 . 1 1 73 73 VAL HG11 H 1 0.658 . . 4 . . . . 228 VAL HG11 . 17028 1 798 . 1 1 73 73 VAL HG12 H 1 0.658 . . 4 . . . . 228 VAL HG11 . 17028 1 799 . 1 1 73 73 VAL HG13 H 1 0.658 . . 4 . . . . 228 VAL HG11 . 17028 1 800 . 1 1 73 73 VAL HG21 H 1 0.752 . . 4 . . . . 228 VAL HG21 . 17028 1 801 . 1 1 73 73 VAL HG22 H 1 0.752 . . 4 . . . . 228 VAL HG21 . 17028 1 802 . 1 1 73 73 VAL HG23 H 1 0.752 . . 4 . . . . 228 VAL HG21 . 17028 1 803 . 1 1 73 73 VAL C C 13 173.743 . . 1 . . . . 228 VAL C . 17028 1 804 . 1 1 73 73 VAL CA C 13 60.903 . . 1 . . . . 228 VAL CA . 17028 1 805 . 1 1 73 73 VAL CB C 13 34.645 . . 1 . . . . 228 VAL CB . 17028 1 806 . 1 1 73 73 VAL CG1 C 13 22.270 . . 1 . . . . 228 VAL CG1 . 17028 1 807 . 1 1 73 73 VAL CG2 C 13 20.945 . . 1 . . . . 228 VAL CG2 . 17028 1 808 . 1 1 73 73 VAL N N 15 120.093 . . 1 . . . . 228 VAL N . 17028 1 809 . 1 1 74 74 VAL H H 1 8.873 . . 1 . . . . 229 VAL HN . 17028 1 810 . 1 1 74 74 VAL HA H 1 5.138 . . 1 . . . . 229 VAL HA . 17028 1 811 . 1 1 74 74 VAL HB H 1 1.974 . . 1 . . . . 229 VAL HB . 17028 1 812 . 1 1 74 74 VAL HG11 H 1 0.927 . . 4 . . . . 229 VAL HG11 . 17028 1 813 . 1 1 74 74 VAL HG12 H 1 0.927 . . 4 . . . . 229 VAL HG11 . 17028 1 814 . 1 1 74 74 VAL HG13 H 1 0.927 . . 4 . . . . 229 VAL HG11 . 17028 1 815 . 1 1 74 74 VAL HG21 H 1 1.094 . . 4 . . . . 229 VAL HG21 . 17028 1 816 . 1 1 74 74 VAL HG22 H 1 1.094 . . 4 . . . . 229 VAL HG21 . 17028 1 817 . 1 1 74 74 VAL HG23 H 1 1.094 . . 4 . . . . 229 VAL HG21 . 17028 1 818 . 1 1 74 74 VAL C C 13 176.248 . . 1 . . . . 229 VAL C . 17028 1 819 . 1 1 74 74 VAL CA C 13 59.460 . . 1 . . . . 229 VAL CA . 17028 1 820 . 1 1 74 74 VAL CB C 13 35.446 . . 1 . . . . 229 VAL CB . 17028 1 821 . 1 1 74 74 VAL CG1 C 13 20.766 . . 2 . . . . 229 VAL CG1 . 17028 1 822 . 1 1 74 74 VAL CG2 C 13 20.766 . . 2 . . . . 229 VAL CG2 . 17028 1 823 . 1 1 74 74 VAL N N 15 122.820 . . 1 . . . . 229 VAL N . 17028 1 824 . 1 1 75 75 SER H H 1 9.313 . . 1 . . . . 230 SER HN . 17028 1 825 . 1 1 75 75 SER HA H 1 4.690 . . 1 . . . . 230 SER HA . 17028 1 826 . 1 1 75 75 SER HB2 H 1 4.982 . . 1 . . . . 230 SER HB1 . 17028 1 827 . 1 1 75 75 SER C C 13 176.312 . . 1 . . . . 230 SER C . 17028 1 828 . 1 1 75 75 SER CA C 13 60.039 . . 1 . . . . 230 SER CA . 17028 1 829 . 1 1 75 75 SER CB C 13 64.015 . . 1 . . . . 230 SER CB . 17028 1 830 . 1 1 75 75 SER N N 15 123.100 . . 1 . . . . 230 SER N . 17028 1 831 . 1 1 76 76 GLY H H 1 8.571 . . 1 . . . . 231 GLY HN . 17028 1 832 . 1 1 76 76 GLY HA2 H 1 4.116 . . 2 . . . . 231 GLY HA1 . 17028 1 833 . 1 1 76 76 GLY HA3 H 1 3.753 . . 2 . . . . 231 GLY HA2 . 17028 1 834 . 1 1 76 76 GLY C C 13 175.333 . . 1 . . . . 231 GLY C . 17028 1 835 . 1 1 76 76 GLY CA C 13 47.296 . . 1 . . . . 231 GLY CA . 17028 1 836 . 1 1 76 76 GLY N N 15 113.067 . . 1 . . . . 231 GLY N . 17028 1 837 . 1 1 77 77 ASN H H 1 8.575 . . 1 . . . . 232 ASN HN . 17028 1 838 . 1 1 77 77 ASN HA H 1 4.666 . . 1 . . . . 232 ASN HA . 17028 1 839 . 1 1 77 77 ASN HB2 H 1 2.905 . . 2 . . . . 232 ASN HB1 . 17028 1 840 . 1 1 77 77 ASN HB3 H 1 3.266 . . 2 . . . . 232 ASN HB2 . 17028 1 841 . 1 1 77 77 ASN HD21 H 1 7.866 . . 2 . . . . 232 ASN HD21 . 17028 1 842 . 1 1 77 77 ASN HD22 H 1 6.750 . . 2 . . . . 232 ASN HD22 . 17028 1 843 . 1 1 77 77 ASN C C 13 176.805 . . 1 . . . . 232 ASN C . 17028 1 844 . 1 1 77 77 ASN CA C 13 52.237 . . 1 . . . . 232 ASN CA . 17028 1 845 . 1 1 77 77 ASN CB C 13 37.532 . . 1 . . . . 232 ASN CB . 17028 1 846 . 1 1 77 77 ASN N N 15 116.163 . . 1 . . . . 232 ASN N . 17028 1 847 . 1 1 77 77 ASN ND2 N 15 112.850 . . 1 . . . . 232 ASN ND2 . 17028 1 848 . 1 1 78 78 GLY H H 1 8.199 . . 1 . . . . 233 GLY HN . 17028 1 849 . 1 1 78 78 GLY HA2 H 1 3.464 . . 2 . . . . 233 GLY HA1 . 17028 1 850 . 1 1 78 78 GLY HA3 H 1 3.943 . . 2 . . . . 233 GLY HA2 . 17028 1 851 . 1 1 78 78 GLY C C 13 173.422 . . 1 . . . . 233 GLY C . 17028 1 852 . 1 1 78 78 GLY CA C 13 45.584 . . 1 . . . . 233 GLY CA . 17028 1 853 . 1 1 78 78 GLY N N 15 108.695 . . 1 . . . . 233 GLY N . 17028 1 854 . 1 1 79 79 GLU H H 1 7.415 . . 1 . . . . 234 GLU HN . 17028 1 855 . 1 1 79 79 GLU HA H 1 3.860 . . 1 . . . . 234 GLU HA . 17028 1 856 . 1 1 79 79 GLU HB2 H 1 1.287 . . 2 . . . . 234 GLU HB1 . 17028 1 857 . 1 1 79 79 GLU HB3 H 1 1.288 . . 2 . . . . 234 GLU HB2 . 17028 1 858 . 1 1 79 79 GLU HG2 H 1 1.825 . . 2 . . . . 234 GLU HG1 . 17028 1 859 . 1 1 79 79 GLU HG3 H 1 1.550 . . 2 . . . . 234 GLU HG2 . 17028 1 860 . 1 1 79 79 GLU CA C 13 57.335 . . 1 . . . . 234 GLU CA . 17028 1 861 . 1 1 79 79 GLU CB C 13 30.307 . . 1 . . . . 234 GLU CB . 17028 1 862 . 1 1 79 79 GLU CG C 13 35.871 . . 1 . . . . 234 GLU CG . 17028 1 863 . 1 1 79 79 GLU N N 15 117.391 . . 1 . . . . 234 GLU N . 17028 1 864 . 1 1 80 80 PHE H H 1 7.931 . . 1 . . . . 235 PHE HN . 17028 1 865 . 1 1 80 80 PHE HA H 1 5.211 . . 1 . . . . 235 PHE HA . 17028 1 866 . 1 1 80 80 PHE HB2 H 1 2.732 . . 2 . . . . 235 PHE HB1 . 17028 1 867 . 1 1 80 80 PHE HB3 H 1 3.441 . . 2 . . . . 235 PHE HB2 . 17028 1 868 . 1 1 80 80 PHE HD1 H 1 7.376 . . 3 . . . . 235 PHE HD1 . 17028 1 869 . 1 1 80 80 PHE HD2 H 1 7.376 . . 3 . . . . 235 PHE HD2 . 17028 1 870 . 1 1 80 80 PHE HE1 H 1 7.371 . . 3 . . . . 235 PHE HE1 . 17028 1 871 . 1 1 80 80 PHE HE2 H 1 7.371 . . 3 . . . . 235 PHE HE2 . 17028 1 872 . 1 1 80 80 PHE C C 13 173.828 . . 1 . . . . 235 PHE C . 17028 1 873 . 1 1 80 80 PHE CA C 13 55.978 . . 1 . . . . 235 PHE CA . 17028 1 874 . 1 1 80 80 PHE CB C 13 43.395 . . 1 . . . . 235 PHE CB . 17028 1 875 . 1 1 80 80 PHE CD1 C 13 131.952 . . 3 . . . . 235 PHE CD1 . 17028 1 876 . 1 1 80 80 PHE CD2 C 13 131.952 . . 3 . . . . 235 PHE CD2 . 17028 1 877 . 1 1 80 80 PHE CE1 C 13 131.935 . . 3 . . . . 235 PHE CE1 . 17028 1 878 . 1 1 80 80 PHE CE2 C 13 131.935 . . 3 . . . . 235 PHE CE2 . 17028 1 879 . 1 1 80 80 PHE N N 15 115.246 . . 1 . . . . 235 PHE N . 17028 1 880 . 1 1 81 81 ALA H H 1 8.726 . . 1 . . . . 236 ALA HN . 17028 1 881 . 1 1 81 81 ALA HA H 1 5.477 . . 1 . . . . 236 ALA HA . 17028 1 882 . 1 1 81 81 ALA HB1 H 1 1.198 . . 1 . . . . 236 ALA HB1 . 17028 1 883 . 1 1 81 81 ALA HB2 H 1 1.198 . . 1 . . . . 236 ALA HB1 . 17028 1 884 . 1 1 81 81 ALA HB3 H 1 1.198 . . 1 . . . . 236 ALA HB1 . 17028 1 885 . 1 1 81 81 ALA C C 13 175.096 . . 1 . . . . 236 ALA C . 17028 1 886 . 1 1 81 81 ALA CA C 13 50.475 . . 1 . . . . 236 ALA CA . 17028 1 887 . 1 1 81 81 ALA CB C 13 23.709 . . 1 . . . . 236 ALA CB . 17028 1 888 . 1 1 81 81 ALA N N 15 121.144 . . 1 . . . . 236 ALA N . 17028 1 889 . 1 1 82 82 ALA H H 1 9.240 . . 1 . . . . 237 ALA HN . 17028 1 890 . 1 1 82 82 ALA HA H 1 4.712 . . 1 . . . . 237 ALA HA . 17028 1 891 . 1 1 82 82 ALA HB1 H 1 1.238 . . 1 . . . . 237 ALA HB1 . 17028 1 892 . 1 1 82 82 ALA HB2 H 1 1.238 . . 1 . . . . 237 ALA HB1 . 17028 1 893 . 1 1 82 82 ALA HB3 H 1 1.238 . . 1 . . . . 237 ALA HB1 . 17028 1 894 . 1 1 82 82 ALA C C 13 174.770 . . 1 . . . . 237 ALA C . 17028 1 895 . 1 1 82 82 ALA CA C 13 51.022 . . 1 . . . . 237 ALA CA . 17028 1 896 . 1 1 82 82 ALA CB C 13 22.813 . . 1 . . . . 237 ALA CB . 17028 1 897 . 1 1 82 82 ALA N N 15 122.119 . . 1 . . . . 237 ALA N . 17028 1 898 . 1 1 83 83 VAL H H 1 8.506 . . 1 . . . . 238 VAL HN . 17028 1 899 . 1 1 83 83 VAL HA H 1 4.476 . . 1 . . . . 238 VAL HA . 17028 1 900 . 1 1 83 83 VAL HB H 1 1.984 . . 1 . . . . 238 VAL HB . 17028 1 901 . 1 1 83 83 VAL HG11 H 1 0.697 . . 4 . . . . 238 VAL HG11 . 17028 1 902 . 1 1 83 83 VAL HG12 H 1 0.697 . . 4 . . . . 238 VAL HG11 . 17028 1 903 . 1 1 83 83 VAL HG13 H 1 0.697 . . 4 . . . . 238 VAL HG11 . 17028 1 904 . 1 1 83 83 VAL HG21 H 1 0.698 . . 4 . . . . 238 VAL HG21 . 17028 1 905 . 1 1 83 83 VAL HG22 H 1 0.698 . . 4 . . . . 238 VAL HG21 . 17028 1 906 . 1 1 83 83 VAL HG23 H 1 0.698 . . 4 . . . . 238 VAL HG21 . 17028 1 907 . 1 1 83 83 VAL C C 13 174.625 . . 1 . . . . 238 VAL C . 17028 1 908 . 1 1 83 83 VAL CA C 13 61.466 . . 1 . . . . 238 VAL CA . 17028 1 909 . 1 1 83 83 VAL CB C 13 34.410 . . 1 . . . . 238 VAL CB . 17028 1 910 . 1 1 83 83 VAL CG1 C 13 21.837 . . 2 . . . . 238 VAL CG1 . 17028 1 911 . 1 1 83 83 VAL CG2 C 13 21.837 . . 2 . . . . 238 VAL CG2 . 17028 1 912 . 1 1 83 83 VAL N N 15 118.594 . . 1 . . . . 238 VAL N . 17028 1 913 . 1 1 84 84 ALA H H 1 7.903 . . 1 . . . . 239 ALA HN . 17028 1 914 . 1 1 84 84 ALA HA H 1 5.133 . . 1 . . . . 239 ALA HA . 17028 1 915 . 1 1 84 84 ALA HB1 H 1 1.138 . . 1 . . . . 239 ALA HB1 . 17028 1 916 . 1 1 84 84 ALA HB2 H 1 1.138 . . 1 . . . . 239 ALA HB1 . 17028 1 917 . 1 1 84 84 ALA HB3 H 1 1.138 . . 1 . . . . 239 ALA HB1 . 17028 1 918 . 1 1 84 84 ALA C C 13 175.625 . . 1 . . . . 239 ALA C . 17028 1 919 . 1 1 84 84 ALA CA C 13 49.984 . . 1 . . . . 239 ALA CA . 17028 1 920 . 1 1 84 84 ALA CB C 13 21.013 . . 1 . . . . 239 ALA CB . 17028 1 921 . 1 1 84 84 ALA N N 15 130.299 . . 1 . . . . 239 ALA N . 17028 1 922 . 1 1 85 85 GLU H H 1 8.540 . . 1 . . . . 240 GLU HN . 17028 1 923 . 1 1 85 85 GLU HA H 1 4.734 . . 1 . . . . 240 GLU HA . 17028 1 924 . 1 1 85 85 GLU HB2 H 1 2.025 . . 1 . . . . 240 GLU HB1 . 17028 1 925 . 1 1 85 85 GLU HB3 H 1 2.024 . . 2 . . . . 240 GLU HB2 . 17028 1 926 . 1 1 85 85 GLU HG2 H 1 2.032 . . 2 . . . . 240 GLU HG1 . 17028 1 927 . 1 1 85 85 GLU HG3 H 1 2.144 . . 2 . . . . 240 GLU HG2 . 17028 1 928 . 1 1 85 85 GLU C C 13 174.717 . . 1 . . . . 240 GLU C . 17028 1 929 . 1 1 85 85 GLU CA C 13 55.724 . . 1 . . . . 240 GLU CA . 17028 1 930 . 1 1 85 85 GLU CB C 13 31.685 . . 1 . . . . 240 GLU CB . 17028 1 931 . 1 1 85 85 GLU CG C 13 36.608 . . 1 . . . . 240 GLU CG . 17028 1 932 . 1 1 85 85 GLU N N 15 123.159 . . 1 . . . . 240 GLU N . 17028 1 933 . 1 1 86 86 ILE H H 1 8.968 . . 1 . . . . 241 ILE HN . 17028 1 934 . 1 1 86 86 ILE HA H 1 4.845 . . 1 . . . . 241 ILE HA . 17028 1 935 . 1 1 86 86 ILE HB H 1 2.162 . . 1 . . . . 241 ILE HB . 17028 1 936 . 1 1 86 86 ILE HD11 H 1 0.522 . . 1 . . . . 241 ILE HD11 . 17028 1 937 . 1 1 86 86 ILE HD12 H 1 0.522 . . 1 . . . . 241 ILE HD11 . 17028 1 938 . 1 1 86 86 ILE HD13 H 1 0.522 . . 1 . . . . 241 ILE HD11 . 17028 1 939 . 1 1 86 86 ILE HG12 H 1 1.529 . . 9 . . . . 241 ILE HG11 . 17028 1 940 . 1 1 86 86 ILE HG13 H 1 1.035 . . 9 . . . . 241 ILE HG12 . 17028 1 941 . 1 1 86 86 ILE HG21 H 1 0.605 . . 2 . . . . 241 ILE HG21 . 17028 1 942 . 1 1 86 86 ILE HG22 H 1 0.605 . . 2 . . . . 241 ILE HG21 . 17028 1 943 . 1 1 86 86 ILE HG23 H 1 0.605 . . 2 . . . . 241 ILE HG21 . 17028 1 944 . 1 1 86 86 ILE C C 13 175.241 . . 1 . . . . 241 ILE C . 17028 1 945 . 1 1 86 86 ILE CA C 13 57.071 . . 1 . . . . 241 ILE CA . 17028 1 946 . 1 1 86 86 ILE CB C 13 37.532 . . 1 . . . . 241 ILE CB . 17028 1 947 . 1 1 86 86 ILE CD1 C 13 10.840 . . 1 . . . . 241 ILE CD1 . 17028 1 948 . 1 1 86 86 ILE CG1 C 13 27.806 . . 1 . . . . 241 ILE CG1 . 17028 1 949 . 1 1 86 86 ILE CG2 C 13 17.657 . . 1 . . . . 241 ILE CG2 . 17028 1 950 . 1 1 86 86 ILE N N 15 128.181 . . 1 . . . . 241 ILE N . 17028 1 951 . 1 1 87 87 THR H H 1 8.463 . . 1 . . . . 242 THR HN . 17028 1 952 . 1 1 87 87 THR HA H 1 4.629 . . 1 . . . . 242 THR HA . 17028 1 953 . 1 1 87 87 THR HB H 1 4.009 . . 1 . . . . 242 THR HB . 17028 1 954 . 1 1 87 87 THR HG21 H 1 1.011 . . 1 . . . . 242 THR HG21 . 17028 1 955 . 1 1 87 87 THR HG22 H 1 1.011 . . 1 . . . . 242 THR HG21 . 17028 1 956 . 1 1 87 87 THR HG23 H 1 1.011 . . 1 . . . . 242 THR HG21 . 17028 1 957 . 1 1 87 87 THR C C 13 173.023 . . 1 . . . . 242 THR C . 17028 1 958 . 1 1 87 87 THR CA C 13 62.831 . . 1 . . . . 242 THR CA . 17028 1 959 . 1 1 87 87 THR CB C 13 69.624 . . 1 . . . . 242 THR CB . 17028 1 960 . 1 1 87 87 THR CG2 C 13 20.299 . . 1 . . . . 242 THR CG2 . 17028 1 961 . 1 1 87 87 THR N N 15 123.897 . . 1 . . . . 242 THR N . 17028 1 962 . 1 1 88 88 VAL H H 1 9.330 . . 1 . . . . 243 VAL HN . 17028 1 963 . 1 1 88 88 VAL HA H 1 5.280 . . 1 . . . . 243 VAL HA . 17028 1 964 . 1 1 88 88 VAL HB H 1 2.565 . . 1 . . . . 243 VAL HB . 17028 1 965 . 1 1 88 88 VAL HG11 H 1 0.855 . . 2 . . . . 243 VAL HG11 . 17028 1 966 . 1 1 88 88 VAL HG12 H 1 0.855 . . 2 . . . . 243 VAL HG11 . 17028 1 967 . 1 1 88 88 VAL HG13 H 1 0.855 . . 2 . . . . 243 VAL HG11 . 17028 1 968 . 1 1 88 88 VAL HG21 H 1 0.642 . . 2 . . . . 243 VAL HG21 . 17028 1 969 . 1 1 88 88 VAL HG22 H 1 0.642 . . 2 . . . . 243 VAL HG21 . 17028 1 970 . 1 1 88 88 VAL HG23 H 1 0.642 . . 2 . . . . 243 VAL HG21 . 17028 1 971 . 1 1 88 88 VAL C C 13 178.098 . . 1 . . . . 243 VAL C . 17028 1 972 . 1 1 88 88 VAL CA C 13 60.099 . . 1 . . . . 243 VAL CA . 17028 1 973 . 1 1 88 88 VAL CB C 13 31.481 . . 1 . . . . 243 VAL CB . 17028 1 974 . 1 1 88 88 VAL CG1 C 13 19.741 . . 2 . . . . 243 VAL CG1 . 17028 1 975 . 1 1 88 88 VAL CG2 C 13 20.858 . . 2 . . . . 243 VAL CG2 . 17028 1 976 . 1 1 88 88 VAL N N 15 129.586 . . 1 . . . . 243 VAL N . 17028 1 977 . 1 1 89 89 THR H H 1 9.275 . . 1 . . . . 244 THR HN . 17028 1 978 . 1 1 89 89 THR HA H 1 4.732 . . 1 . . . . 244 THR HA . 17028 1 979 . 1 1 89 89 THR HB H 1 4.540 . . 1 . . . . 244 THR HB . 17028 1 980 . 1 1 89 89 THR HG21 H 1 1.111 . . 1 . . . . 244 THR HG21 . 17028 1 981 . 1 1 89 89 THR HG22 H 1 1.111 . . 1 . . . . 244 THR HG21 . 17028 1 982 . 1 1 89 89 THR HG23 H 1 1.111 . . 1 . . . . 244 THR HG21 . 17028 1 983 . 1 1 89 89 THR CA C 13 60.351 . . 1 . . . . 244 THR CA . 17028 1 984 . 1 1 89 89 THR CB C 13 70.047 . . 1 . . . . 244 THR CB . 17028 1 985 . 1 1 89 89 THR CG2 C 13 21.493 . . 1 . . . . 244 THR CG2 . 17028 1 986 . 1 1 89 89 THR N N 15 120.833 . . 1 . . . . 244 THR N . 17028 1 987 . 1 1 90 90 ALA H H 1 8.901 . . 1 . . . . 245 ALA HN . 17028 1 988 . 1 1 90 90 ALA HA H 1 4.185 . . 1 . . . . 245 ALA HA . 17028 1 989 . 1 1 90 90 ALA HB1 H 1 1.468 . . 1 . . . . 245 ALA HB1 . 17028 1 990 . 1 1 90 90 ALA HB2 H 1 1.468 . . 1 . . . . 245 ALA HB1 . 17028 1 991 . 1 1 90 90 ALA HB3 H 1 1.468 . . 1 . . . . 245 ALA HB1 . 17028 1 992 . 1 1 90 90 ALA C C 13 176.869 . . 1 . . . . 245 ALA C . 17028 1 993 . 1 1 90 90 ALA CA C 13 53.608 . . 1 . . . . 245 ALA CA . 17028 1 994 . 1 1 90 90 ALA CB C 13 19.097 . . 1 . . . . 245 ALA CB . 17028 1 995 . 1 1 90 90 ALA N N 15 122.820 . . 1 . . . . 245 ALA N . 17028 1 996 . 1 1 91 91 SER H H 1 7.740 . . 1 . . . . 246 SER HN . 17028 1 997 . 1 1 91 91 SER HA H 1 4.132 . . 1 . . . . 246 SER HA . 17028 1 998 . 1 1 91 91 SER CA C 13 59.267 . . 1 . . . . 246 SER CA . 17028 1 999 . 1 1 91 91 SER CB C 13 64.736 . . 1 . . . . 246 SER CB . 17028 1 1000 . 1 1 91 91 SER N N 15 116.362 . . 1 . . . . 246 SER N . 17028 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 91 17028 1 1 92 17028 1 1 93 17028 1 1 94 17028 1 1 95 17028 1 1 96 17028 1 2 159 17028 1 2 160 17028 1 2 161 17028 1 2 162 17028 1 2 163 17028 1 2 164 17028 1 3 174 17028 1 3 175 17028 1 3 176 17028 1 3 177 17028 1 3 178 17028 1 3 179 17028 1 4 285 17028 1 4 286 17028 1 4 287 17028 1 4 288 17028 1 4 289 17028 1 4 290 17028 1 5 363 17028 1 5 364 17028 1 5 365 17028 1 5 366 17028 1 5 367 17028 1 5 368 17028 1 6 549 17028 1 6 550 17028 1 6 551 17028 1 6 552 17028 1 6 553 17028 1 6 554 17028 1 7 572 17028 1 7 573 17028 1 7 574 17028 1 7 575 17028 1 7 576 17028 1 7 577 17028 1 8 656 17028 1 8 657 17028 1 8 658 17028 1 8 659 17028 1 8 660 17028 1 8 661 17028 1 9 688 17028 1 9 689 17028 1 9 690 17028 1 9 691 17028 1 9 692 17028 1 9 693 17028 1 10 744 17028 1 10 745 17028 1 10 746 17028 1 10 747 17028 1 10 748 17028 1 10 749 17028 1 11 797 17028 1 11 798 17028 1 11 799 17028 1 11 800 17028 1 11 801 17028 1 11 802 17028 1 12 812 17028 1 12 813 17028 1 12 814 17028 1 12 815 17028 1 12 816 17028 1 12 817 17028 1 13 901 17028 1 13 902 17028 1 13 903 17028 1 13 904 17028 1 13 905 17028 1 13 906 17028 1 stop_ save_