data_51172 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51172 _Entry.Title ; Backbone NMR assignments of the chicken TRPV4 intrinsically disordered N-terminus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-11-09 _Entry.Accession_date 2021-11-09 _Entry.Last_release_date 2021-11-09 _Entry.Original_release_date 2021-11-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Backbone resonance assignments for the intrinsically disordered N-terminus of the chicken transient receptor potential vanilloid 4 (TRPV4) ion channel (residues 2-134). ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Benedikt Goretzki . . . 0000-0002-7721-6657 51172 2 Frederike Tebbe . . . . 51172 3 Sarah-Ana Mitrovic . . . . 51172 4 Ute Hellmich . . . 0000-0001-7162-285X 51172 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Goethe-Universitat Frankfurt' . 51172 2 . 'Center for Biomolecular Magnetic Resonance' . 51172 3 . 'Friedrich-Schiller-Universitat Jena' . 51172 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51172 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 377 51172 '15N chemical shifts' 111 51172 '1H chemical shifts' 451 51172 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 . . 2022-09-28 2021-11-09 update BMRB 'update entry citation' 51172 1 . . 2022-05-05 2021-11-09 original author 'original release' 51172 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51147 'Intrinsically disordered N-terminus from human TRPV4' 51172 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51172 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35451798 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone NMR assignments of the extensive human and chicken TRPV4 N-terminal intrinsically disordered regions as important players in ion channel regulation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 2 _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 205 _Citation.Page_last 212 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Benedikt Goretzki . . . . 51172 1 2 Frederike Tebbe . . . . 51172 1 3 Sarah-Ana Mitrovic . . . . 51172 1 4 Ute Hellmich . A. . . 51172 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'TRP channels' 51172 1 TRPV4 51172 1 'intrinsically disordered protein' 51172 1 'intrinsically disordered region' 51172 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51172 _Assembly.ID 1 _Assembly.Name sample _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 IDR 1 $entity_1 . . yes native no no . . . 51172 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 6BBJ . . cryo-EM 3.80 'Near full-length structure of TRPV4 without IDR' . 51172 1 yes PDB 6F55 . . 'solution NMR' . 'contains TRPV4-IDR fragment in complex with a binding partner' . 51172 1 yes PDB 7AA4 . . cryo-EM 4.18 'Near full-length structure of TRPV4 without IDR' . 51172 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51172 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ADPEDPRDAGDVLGDDSFPL SSLANLFEVEDTPSPAEPSR GPPGAVDGKQNLRMKFHGAF RKGPPKPMELLESTIYESSV VPAPKKAPMDSLFDYGTYRQ HPSENKRWRRRVVEKPVAGT KGPAPNPPPVLKV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 2-134 of the chicken TRPV4 channel (UniProtKB - A0A1D5PXA5)' _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 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Intrinsically disordered region (IDR)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; In the UniProt entry of chicken TRPV4 (UniProtKB - A0A1D5PXA5), the protein sequence contains an isoleucine residue at position 131. However, other databases such as the European Nucleotide Archive (ENA, Accession ID: AF261883) indicate position 131 as valine residue. The protein construct of the chicken TRPV4 intrinsically disordered N-terminus used for the NMR assignments deposited in this BMRB entry was cloned from a cDNA library in which residue 131 is valine. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UniProtKB A0A1D5PXA5 . TRPV4_CHICK . . . . . . . . . . . . . . 51172 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'TRPV4 is a eukaryotic cation channel, which is involved in sensory perception e.g., heat and osmosensation.' 51172 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 2 ALA . 51172 1 2 3 ASP . 51172 1 3 4 PRO . 51172 1 4 5 GLU . 51172 1 5 6 ASP . 51172 1 6 7 PRO . 51172 1 7 8 ARG . 51172 1 8 9 ASP . 51172 1 9 10 ALA . 51172 1 10 11 GLY . 51172 1 11 12 ASP . 51172 1 12 13 VAL . 51172 1 13 14 LEU . 51172 1 14 15 GLY . 51172 1 15 16 ASP . 51172 1 16 17 ASP . 51172 1 17 18 SER . 51172 1 18 19 PHE . 51172 1 19 20 PRO . 51172 1 20 21 LEU . 51172 1 21 22 SER . 51172 1 22 23 SER . 51172 1 23 24 LEU . 51172 1 24 25 ALA . 51172 1 25 26 ASN . 51172 1 26 27 LEU . 51172 1 27 28 PHE . 51172 1 28 29 GLU . 51172 1 29 30 VAL . 51172 1 30 31 GLU . 51172 1 31 32 ASP . 51172 1 32 33 THR . 51172 1 33 34 PRO . 51172 1 34 35 SER . 51172 1 35 36 PRO . 51172 1 36 37 ALA . 51172 1 37 38 GLU . 51172 1 38 39 PRO . 51172 1 39 40 SER . 51172 1 40 41 ARG . 51172 1 41 42 GLY . 51172 1 42 43 PRO . 51172 1 43 44 PRO . 51172 1 44 45 GLY . 51172 1 45 46 ALA . 51172 1 46 47 VAL . 51172 1 47 48 ASP . 51172 1 48 49 GLY . 51172 1 49 50 LYS . 51172 1 50 51 GLN . 51172 1 51 52 ASN . 51172 1 52 53 LEU . 51172 1 53 54 ARG . 51172 1 54 55 MET . 51172 1 55 56 LYS . 51172 1 56 57 PHE . 51172 1 57 58 HIS . 51172 1 58 59 GLY . 51172 1 59 60 ALA . 51172 1 60 61 PHE . 51172 1 61 62 ARG . 51172 1 62 63 LYS . 51172 1 63 64 GLY . 51172 1 64 65 PRO . 51172 1 65 66 PRO . 51172 1 66 67 LYS . 51172 1 67 68 PRO . 51172 1 68 69 MET . 51172 1 69 70 GLU . 51172 1 70 71 LEU . 51172 1 71 72 LEU . 51172 1 72 73 GLU . 51172 1 73 74 SER . 51172 1 74 75 THR . 51172 1 75 76 ILE . 51172 1 76 77 TYR . 51172 1 77 78 GLU . 51172 1 78 79 SER . 51172 1 79 80 SER . 51172 1 80 81 VAL . 51172 1 81 82 VAL . 51172 1 82 83 PRO . 51172 1 83 84 ALA . 51172 1 84 85 PRO . 51172 1 85 86 LYS . 51172 1 86 87 LYS . 51172 1 87 88 ALA . 51172 1 88 89 PRO . 51172 1 89 90 MET . 51172 1 90 91 ASP . 51172 1 91 92 SER . 51172 1 92 93 LEU . 51172 1 93 94 PHE . 51172 1 94 95 ASP . 51172 1 95 96 TYR . 51172 1 96 97 GLY . 51172 1 97 98 THR . 51172 1 98 99 TYR . 51172 1 99 100 ARG . 51172 1 100 101 GLN . 51172 1 101 102 HIS . 51172 1 102 103 PRO . 51172 1 103 104 SER . 51172 1 104 105 GLU . 51172 1 105 106 ASN . 51172 1 106 107 LYS . 51172 1 107 108 ARG . 51172 1 108 109 TRP . 51172 1 109 110 ARG . 51172 1 110 111 ARG . 51172 1 111 112 ARG . 51172 1 112 113 VAL . 51172 1 113 114 VAL . 51172 1 114 115 GLU . 51172 1 115 116 LYS . 51172 1 116 117 PRO . 51172 1 117 118 VAL . 51172 1 118 119 ALA . 51172 1 119 120 GLY . 51172 1 120 121 THR . 51172 1 121 122 LYS . 51172 1 122 123 GLY . 51172 1 123 124 PRO . 51172 1 124 125 ALA . 51172 1 125 126 PRO . 51172 1 126 127 ASN . 51172 1 127 128 PRO . 51172 1 128 129 PRO . 51172 1 129 130 PRO . 51172 1 130 131 VAL . 51172 1 131 132 LEU . 51172 1 132 133 LYS . 51172 1 133 134 VAL . 51172 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 . ALA 1 1 51172 1 . ASP 2 2 51172 1 . PRO 3 3 51172 1 . GLU 4 4 51172 1 . ASP 5 5 51172 1 . PRO 6 6 51172 1 . ARG 7 7 51172 1 . ASP 8 8 51172 1 . ALA 9 9 51172 1 . GLY 10 10 51172 1 . ASP 11 11 51172 1 . VAL 12 12 51172 1 . LEU 13 13 51172 1 . GLY 14 14 51172 1 . ASP 15 15 51172 1 . ASP 16 16 51172 1 . SER 17 17 51172 1 . PHE 18 18 51172 1 . PRO 19 19 51172 1 . LEU 20 20 51172 1 . SER 21 21 51172 1 . SER 22 22 51172 1 . LEU 23 23 51172 1 . ALA 24 24 51172 1 . ASN 25 25 51172 1 . LEU 26 26 51172 1 . PHE 27 27 51172 1 . GLU 28 28 51172 1 . VAL 29 29 51172 1 . GLU 30 30 51172 1 . ASP 31 31 51172 1 . THR 32 32 51172 1 . PRO 33 33 51172 1 . SER 34 34 51172 1 . PRO 35 35 51172 1 . ALA 36 36 51172 1 . GLU 37 37 51172 1 . PRO 38 38 51172 1 . SER 39 39 51172 1 . ARG 40 40 51172 1 . GLY 41 41 51172 1 . PRO 42 42 51172 1 . PRO 43 43 51172 1 . GLY 44 44 51172 1 . ALA 45 45 51172 1 . VAL 46 46 51172 1 . ASP 47 47 51172 1 . GLY 48 48 51172 1 . LYS 49 49 51172 1 . GLN 50 50 51172 1 . ASN 51 51 51172 1 . LEU 52 52 51172 1 . ARG 53 53 51172 1 . MET 54 54 51172 1 . LYS 55 55 51172 1 . PHE 56 56 51172 1 . HIS 57 57 51172 1 . GLY 58 58 51172 1 . ALA 59 59 51172 1 . PHE 60 60 51172 1 . ARG 61 61 51172 1 . LYS 62 62 51172 1 . GLY 63 63 51172 1 . PRO 64 64 51172 1 . PRO 65 65 51172 1 . LYS 66 66 51172 1 . PRO 67 67 51172 1 . MET 68 68 51172 1 . GLU 69 69 51172 1 . LEU 70 70 51172 1 . LEU 71 71 51172 1 . GLU 72 72 51172 1 . SER 73 73 51172 1 . THR 74 74 51172 1 . ILE 75 75 51172 1 . TYR 76 76 51172 1 . GLU 77 77 51172 1 . SER 78 78 51172 1 . SER 79 79 51172 1 . VAL 80 80 51172 1 . VAL 81 81 51172 1 . PRO 82 82 51172 1 . ALA 83 83 51172 1 . PRO 84 84 51172 1 . LYS 85 85 51172 1 . LYS 86 86 51172 1 . ALA 87 87 51172 1 . PRO 88 88 51172 1 . MET 89 89 51172 1 . ASP 90 90 51172 1 . SER 91 91 51172 1 . LEU 92 92 51172 1 . PHE 93 93 51172 1 . ASP 94 94 51172 1 . TYR 95 95 51172 1 . GLY 96 96 51172 1 . THR 97 97 51172 1 . TYR 98 98 51172 1 . ARG 99 99 51172 1 . GLN 100 100 51172 1 . HIS 101 101 51172 1 . PRO 102 102 51172 1 . SER 103 103 51172 1 . GLU 104 104 51172 1 . ASN 105 105 51172 1 . LYS 106 106 51172 1 . ARG 107 107 51172 1 . TRP 108 108 51172 1 . ARG 109 109 51172 1 . ARG 110 110 51172 1 . ARG 111 111 51172 1 . VAL 112 112 51172 1 . VAL 113 113 51172 1 . GLU 114 114 51172 1 . LYS 115 115 51172 1 . PRO 116 116 51172 1 . VAL 117 117 51172 1 . ALA 118 118 51172 1 . GLY 119 119 51172 1 . THR 120 120 51172 1 . LYS 121 121 51172 1 . GLY 122 122 51172 1 . PRO 123 123 51172 1 . ALA 124 124 51172 1 . PRO 125 125 51172 1 . ASN 126 126 51172 1 . PRO 127 127 51172 1 . PRO 128 128 51172 1 . PRO 129 129 51172 1 . VAL 130 130 51172 1 . LEU 131 131 51172 1 . LYS 132 132 51172 1 . VAL 133 133 51172 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51172 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . 51172 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51172 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 'DE3 Gold' . plasmid . . pET11a . . 'Expression with N-terminal His6SUMO-tag, cleaved with Ulp1 during purification' 51172 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51172 _Sample.ID 1 _Sample.Name sample _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 TRPV4-IDR '[U-13C; U-15N]' . . 1 $entity_1 . . 200 150 250 uM . . . . 51172 1 2 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 51172 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51172 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51172 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51172 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 51172 _Sample_condition_list.ID 1 _Sample_condition_list.Name Assignment _Sample_condition_list.Details 'Low pH to suppress solvent exchange' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 51172 1 pH 4.5 . pH 51172 1 pressure 1 . atm 51172 1 temperature 298 . K 51172 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51172 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51172 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51172 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51172 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51172 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51172 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Avance 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51172 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51172 1 2 '2D 1H-13C HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51172 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51172 1 4 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51172 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51172 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51172 1 7 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51172 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51172 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chem_shift_reference _Chem_shift_reference.Details ; 1H chemical shifts were referenced to DSS while 13C and 15N chemical shifts were referenced indirectly according to the IUPAC-IUB Recommended Chemical Shift Referencing Ratios (https://bmrb.io/ref_info/cshift.shtml). ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 51172 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51172 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 51172 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51172 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 51172 1 2 '2D 1H-13C HMQC' . . . 51172 1 3 '3D HNCO' . . . 51172 1 4 '3D HNCACO' . . . 51172 1 5 '3D HBHA(CO)NH' . . . 51172 1 6 '3D HNCA' . . . 51172 1 7 '3D HNCACB' . . . 51172 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51172 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ALA HA H 1 4.083 0.020 . 1 . . . . . 2 ALA HA . 51172 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.488 0.020 . 1 . . . . . 2 ALA HB . 51172 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.488 0.020 . 1 . . . . . 2 ALA HB . 51172 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.488 0.020 . 1 . . . . . 2 ALA HB . 51172 1 5 . 1 . 1 1 1 ALA C C 13 173.253 0.3 . 1 . . . . . 2 ALA C . 51172 1 6 . 1 . 1 1 1 ALA CA C 13 51.636 0.3 . 1 . . . . . 2 ALA CA . 51172 1 7 . 1 . 1 1 1 ALA CB C 13 19.139 0.3 . 1 . . . . . 2 ALA CB . 51172 1 8 . 1 . 1 2 2 ASP H H 1 8.749 0.020 . 1 . . . . . 3 ASP H . 51172 1 9 . 1 . 1 2 2 ASP HA H 1 4.909 0.020 . 1 . . . . . 3 ASP HA . 51172 1 10 . 1 . 1 2 2 ASP C C 13 174.366 0.3 . 1 . . . . . 3 ASP C . 51172 1 11 . 1 . 1 2 2 ASP CA C 13 52.679 0.3 . 1 . . . . . 3 ASP CA . 51172 1 12 . 1 . 1 2 2 ASP CB C 13 40.563 0.3 . 1 . . . . . 3 ASP CB . 51172 1 13 . 1 . 1 2 2 ASP N N 15 122.376 0.3 . 1 . . . . . 3 ASP N . 51172 1 14 . 1 . 1 3 3 PRO HA H 1 4.401 0.020 . 1 . . . . . 4 PRO HA . 51172 1 15 . 1 . 1 3 3 PRO HB2 H 1 2.302 0.020 . 2 . . . . . 4 PRO HB2 . 51172 1 16 . 1 . 1 3 3 PRO HB3 H 1 1.919 0.020 . 2 . . . . . 4 PRO HB3 . 51172 1 17 . 1 . 1 3 3 PRO C C 13 176.728 0.3 . 1 . . . . . 4 PRO C . 51172 1 18 . 1 . 1 3 3 PRO CA C 13 63.407 0.3 . 1 . . . . . 4 PRO CA . 51172 1 19 . 1 . 1 3 3 PRO CB C 13 31.972 0.3 . 1 . . . . . 4 PRO CB . 51172 1 20 . 1 . 1 4 4 GLU H H 1 8.494 0.020 . 1 . . . . . 5 GLU H . 51172 1 21 . 1 . 1 4 4 GLU HA H 1 4.248 0.020 . 1 . . . . . 5 GLU HA . 51172 1 22 . 1 . 1 4 4 GLU HB2 H 1 2.017 0.020 . 2 . . . . . 5 GLU HB2 . 51172 1 23 . 1 . 1 4 4 GLU HB3 H 1 1.890 0.020 . 2 . . . . . 5 GLU HB3 . 51172 1 24 . 1 . 1 4 4 GLU C C 13 175.893 0.3 . 1 . . . . . 5 GLU C . 51172 1 25 . 1 . 1 4 4 GLU CA C 13 56.150 0.3 . 1 . . . . . 5 GLU CA . 51172 1 26 . 1 . 1 4 4 GLU CB C 13 30.052 0.3 . 1 . . . . . 5 GLU CB . 51172 1 27 . 1 . 1 4 4 GLU N N 15 120.084 0.3 . 1 . . . . . 5 GLU N . 51172 1 28 . 1 . 1 5 5 ASP H H 1 8.281 0.020 . 1 . . . . . 6 ASP H . 51172 1 29 . 1 . 1 5 5 ASP HA H 1 4.843 0.020 . 1 . . . . . 6 ASP HA . 51172 1 30 . 1 . 1 5 5 ASP C C 13 174.628 0.3 . 1 . . . . . 6 ASP C . 51172 1 31 . 1 . 1 5 5 ASP CA C 13 52.015 0.3 . 1 . . . . . 6 ASP CA . 51172 1 32 . 1 . 1 5 5 ASP CB C 13 41.125 0.3 . 1 . . . . . 6 ASP CB . 51172 1 33 . 1 . 1 5 5 ASP N N 15 122.772 0.3 . 1 . . . . . 6 ASP N . 51172 1 34 . 1 . 1 6 6 PRO HA H 1 4.354 0.020 . 1 . . . . . 7 PRO HA . 51172 1 35 . 1 . 1 6 6 PRO HB2 H 1 2.265 0.020 . 2 . . . . . 7 PRO HB2 . 51172 1 36 . 1 . 1 6 6 PRO HB3 H 1 1.937 0.020 . 2 . . . . . 7 PRO HB3 . 51172 1 37 . 1 . 1 6 6 PRO C C 13 177.255 0.3 . 1 . . . . . 7 PRO C . 51172 1 38 . 1 . 1 6 6 PRO CA C 13 63.512 0.3 . 1 . . . . . 7 PRO CA . 51172 1 39 . 1 . 1 6 6 PRO CB C 13 31.897 0.3 . 1 . . . . . 7 PRO CB . 51172 1 40 . 1 . 1 7 7 ARG H H 1 8.450 0.020 . 1 . . . . . 8 ARG H . 51172 1 41 . 1 . 1 7 7 ARG HA H 1 4.285 0.020 . 1 . . . . . 8 ARG HA . 51172 1 42 . 1 . 1 7 7 ARG HB2 H 1 1.826 0.020 . 2 . . . . . 8 ARG HB2 . 51172 1 43 . 1 . 1 7 7 ARG HB3 H 1 1.758 0.020 . 2 . . . . . 8 ARG HB3 . 51172 1 44 . 1 . 1 7 7 ARG C C 13 176.402 0.3 . 1 . . . . . 8 ARG C . 51172 1 45 . 1 . 1 7 7 ARG CA C 13 56.451 0.3 . 1 . . . . . 8 ARG CA . 51172 1 46 . 1 . 1 7 7 ARG CB C 13 30.453 0.3 . 1 . . . . . 8 ARG CB . 51172 1 47 . 1 . 1 7 7 ARG N N 15 120.380 0.3 . 1 . . . . . 8 ARG N . 51172 1 48 . 1 . 1 8 8 ASP H H 1 8.245 0.020 . 1 . . . . . 9 ASP H . 51172 1 49 . 1 . 1 8 8 ASP HA H 1 4.627 0.020 . 1 . . . . . 9 ASP HA . 51172 1 50 . 1 . 1 8 8 ASP HB2 H 1 2.716 0.020 . 2 . . . . . 9 ASP HB2 . 51172 1 51 . 1 . 1 8 8 ASP HB3 H 1 2.653 0.020 . 2 . . . . . 9 ASP HB3 . 51172 1 52 . 1 . 1 8 8 ASP C C 13 176.024 0.3 . 1 . . . . . 9 ASP C . 51172 1 53 . 1 . 1 8 8 ASP CA C 13 54.204 0.3 . 1 . . . . . 9 ASP CA . 51172 1 54 . 1 . 1 8 8 ASP CB C 13 41.205 0.3 . 1 . . . . . 9 ASP CB . 51172 1 55 . 1 . 1 8 8 ASP N N 15 120.820 0.3 . 1 . . . . . 9 ASP N . 51172 1 56 . 1 . 1 9 9 ALA H H 1 8.194 0.020 . 1 . . . . . 10 ALA H . 51172 1 57 . 1 . 1 9 9 ALA HA H 1 4.269 0.020 . 1 . . . . . 10 ALA HA . 51172 1 58 . 1 . 1 9 9 ALA HB1 H 1 1.377 0.020 . 1 . . . . . 10 ALA HB . 51172 1 59 . 1 . 1 9 9 ALA HB2 H 1 1.377 0.020 . 1 . . . . . 10 ALA HB . 51172 1 60 . 1 . 1 9 9 ALA HB3 H 1 1.377 0.020 . 1 . . . . . 10 ALA HB . 51172 1 61 . 1 . 1 9 9 ALA C C 13 178.189 0.3 . 1 . . . . . 10 ALA C . 51172 1 62 . 1 . 1 9 9 ALA CA C 13 52.903 0.3 . 1 . . . . . 10 ALA CA . 51172 1 63 . 1 . 1 9 9 ALA CB C 13 19.139 0.3 . 1 . . . . . 10 ALA CB . 51172 1 64 . 1 . 1 9 9 ALA N N 15 124.524 0.3 . 1 . . . . . 10 ALA N . 51172 1 65 . 1 . 1 10 10 GLY H H 1 8.361 0.020 . 1 . . . . . 11 GLY H . 51172 1 66 . 1 . 1 10 10 GLY HA2 H 1 3.910 0.020 . 2 . . . . . 11 GLY HA2 . 51172 1 67 . 1 . 1 10 10 GLY HA3 H 1 3.907 0.020 . 2 . . . . . 11 GLY HA3 . 51172 1 68 . 1 . 1 10 10 GLY C C 13 173.879 0.3 . 1 . . . . . 11 GLY C . 51172 1 69 . 1 . 1 10 10 GLY CA C 13 45.236 0.3 . 1 . . . . . 11 GLY CA . 51172 1 70 . 1 . 1 10 10 GLY N N 15 107.237 0.3 . 1 . . . . . 11 GLY N . 51172 1 71 . 1 . 1 11 11 ASP H H 1 8.174 0.020 . 1 . . . . . 12 ASP H . 51172 1 72 . 1 . 1 11 11 ASP HA H 1 4.623 0.020 . 1 . . . . . 12 ASP HA . 51172 1 73 . 1 . 1 11 11 ASP HB2 H 1 2.655 0.020 . 2 . . . . . 12 ASP HB2 . 51172 1 74 . 1 . 1 11 11 ASP HB3 H 1 2.611 0.020 . 2 . . . . . 12 ASP HB3 . 51172 1 75 . 1 . 1 11 11 ASP C C 13 176.165 0.3 . 1 . . . . . 12 ASP C . 51172 1 76 . 1 . 1 11 11 ASP CA C 13 54.198 0.3 . 1 . . . . . 12 ASP CA . 51172 1 77 . 1 . 1 11 11 ASP CB C 13 41.045 0.3 . 1 . . . . . 12 ASP CB . 51172 1 78 . 1 . 1 11 11 ASP N N 15 120.399 0.3 . 1 . . . . . 12 ASP N . 51172 1 79 . 1 . 1 12 12 VAL H H 1 8.050 0.020 . 1 . . . . . 13 VAL H . 51172 1 80 . 1 . 1 12 12 VAL HA H 1 4.298 0.020 . 1 . . . . . 13 VAL HA . 51172 1 81 . 1 . 1 12 12 VAL HB H 1 2.073 0.020 . 1 . . . . . 13 VAL HB . 51172 1 82 . 1 . 1 12 12 VAL C C 13 176.090 0.3 . 1 . . . . . 13 VAL C . 51172 1 83 . 1 . 1 12 12 VAL CA C 13 62.308 0.3 . 1 . . . . . 13 VAL CA . 51172 1 84 . 1 . 1 12 12 VAL CB C 13 32.459 0.3 . 1 . . . . . 13 VAL CB . 51172 1 85 . 1 . 1 12 12 VAL N N 15 119.937 0.3 . 1 . . . . . 13 VAL N . 51172 1 86 . 1 . 1 13 13 LEU H H 1 8.324 0.020 . 1 . . . . . 14 LEU H . 51172 1 87 . 1 . 1 13 13 LEU HA H 1 4.342 0.020 . 1 . . . . . 14 LEU HA . 51172 1 88 . 1 . 1 13 13 LEU HB2 H 1 1.659 0.020 . 2 . . . . . 14 LEU HB2 . 51172 1 89 . 1 . 1 13 13 LEU HB3 H 1 1.600 0.020 . 2 . . . . . 14 LEU HB3 . 51172 1 90 . 1 . 1 13 13 LEU C C 13 177.696 0.3 . 1 . . . . . 14 LEU C . 51172 1 91 . 1 . 1 13 13 LEU CA C 13 55.167 0.3 . 1 . . . . . 14 LEU CA . 51172 1 92 . 1 . 1 13 13 LEU CB C 13 42.328 0.3 . 1 . . . . . 14 LEU CB . 51172 1 93 . 1 . 1 13 13 LEU N N 15 125.412 0.3 . 1 . . . . . 14 LEU N . 51172 1 94 . 1 . 1 14 14 GLY H H 1 8.305 0.020 . 1 . . . . . 15 GLY H . 51172 1 95 . 1 . 1 14 14 GLY HA2 H 1 3.991 0.020 . 2 . . . . . 15 GLY HA2 . 51172 1 96 . 1 . 1 14 14 GLY HA3 H 1 3.910 0.020 . 2 . . . . . 15 GLY HA3 . 51172 1 97 . 1 . 1 14 14 GLY C C 13 173.799 0.3 . 1 . . . . . 15 GLY C . 51172 1 98 . 1 . 1 14 14 GLY CA C 13 45.137 0.3 . 1 . . . . . 15 GLY CA . 51172 1 99 . 1 . 1 14 14 GLY N N 15 109.477 0.3 . 1 . . . . . 15 GLY N . 51172 1 100 . 1 . 1 15 15 ASP H H 1 8.244 0.020 . 1 . . . . . 16 ASP H . 51172 1 101 . 1 . 1 15 15 ASP HA H 1 4.583 0.020 . 1 . . . . . 16 ASP HA . 51172 1 102 . 1 . 1 15 15 ASP HB2 H 1 2.673 0.020 . 2 . . . . . 16 ASP HB2 . 51172 1 103 . 1 . 1 15 15 ASP HB3 H 1 2.617 0.020 . 2 . . . . . 16 ASP HB3 . 51172 1 104 . 1 . 1 15 15 ASP C C 13 176.115 0.3 . 1 . . . . . 16 ASP C . 51172 1 105 . 1 . 1 15 15 ASP CA C 13 54.300 0.3 . 1 . . . . . 16 ASP CA . 51172 1 106 . 1 . 1 15 15 ASP CB C 13 41.182 0.3 . 1 . . . . . 16 ASP CB . 51172 1 107 . 1 . 1 15 15 ASP N N 15 120.530 0.3 . 1 . . . . . 16 ASP N . 51172 1 108 . 1 . 1 16 16 ASP H H 1 8.392 0.020 . 1 . . . . . 17 ASP H . 51172 1 109 . 1 . 1 16 16 ASP HA H 1 4.576 0.020 . 1 . . . . . 17 ASP HA . 51172 1 110 . 1 . 1 16 16 ASP HB2 H 1 2.679 0.020 . 2 . . . . . 17 ASP HB2 . 51172 1 111 . 1 . 1 16 16 ASP HB3 H 1 2.624 0.020 . 2 . . . . . 17 ASP HB3 . 51172 1 112 . 1 . 1 16 16 ASP C C 13 176.135 0.3 . 1 . . . . . 17 ASP C . 51172 1 113 . 1 . 1 16 16 ASP CA C 13 54.364 0.3 . 1 . . . . . 17 ASP CA . 51172 1 114 . 1 . 1 16 16 ASP CB C 13 40.724 0.3 . 1 . . . . . 17 ASP CB . 51172 1 115 . 1 . 1 16 16 ASP N N 15 120.668 0.3 . 1 . . . . . 17 ASP N . 51172 1 116 . 1 . 1 17 17 SER H H 1 8.140 0.020 . 1 . . . . . 18 SER H . 51172 1 117 . 1 . 1 17 17 SER HA H 1 4.311 0.020 . 1 . . . . . 18 SER HA . 51172 1 118 . 1 . 1 17 17 SER HB2 H 1 3.757 0.020 . 2 . . . . . 18 SER HB2 . 51172 1 119 . 1 . 1 17 17 SER HB3 H 1 3.717 0.020 . 2 . . . . . 18 SER HB3 . 51172 1 120 . 1 . 1 17 17 SER C C 13 173.770 0.3 . 1 . . . . . 18 SER C . 51172 1 121 . 1 . 1 17 17 SER CA C 13 58.777 0.3 . 1 . . . . . 18 SER CA . 51172 1 122 . 1 . 1 17 17 SER CB C 13 63.833 0.3 . 1 . . . . . 18 SER CB . 51172 1 123 . 1 . 1 17 17 SER N N 15 115.265 0.3 . 1 . . . . . 18 SER N . 51172 1 124 . 1 . 1 18 18 PHE H H 1 8.120 0.020 . 1 . . . . . 19 PHE H . 51172 1 125 . 1 . 1 18 18 PHE HA H 1 4.829 0.020 . 1 . . . . . 19 PHE HA . 51172 1 126 . 1 . 1 18 18 PHE C C 13 173.722 0.3 . 1 . . . . . 19 PHE C . 51172 1 127 . 1 . 1 18 18 PHE CA C 13 55.959 0.3 . 1 . . . . . 19 PHE CA . 51172 1 128 . 1 . 1 18 18 PHE CB C 13 38.911 0.3 . 1 . . . . . 19 PHE CB . 51172 1 129 . 1 . 1 18 18 PHE N N 15 122.561 0.3 . 1 . . . . . 19 PHE N . 51172 1 130 . 1 . 1 19 19 PRO HA H 1 4.428 0.020 . 1 . . . . . 20 PRO HA . 51172 1 131 . 1 . 1 19 19 PRO HB2 H 1 2.595 0.020 . 2 . . . . . 20 PRO HB2 . 51172 1 132 . 1 . 1 19 19 PRO HB3 H 1 2.541 0.020 . 2 . . . . . 20 PRO HB3 . 51172 1 133 . 1 . 1 19 19 PRO C C 13 177.016 0.3 . 1 . . . . . 20 PRO C . 51172 1 134 . 1 . 1 19 19 PRO CA C 13 63.191 0.3 . 1 . . . . . 20 PRO CA . 51172 1 135 . 1 . 1 19 19 PRO CB C 13 31.986 0.3 . 1 . . . . . 20 PRO CB . 51172 1 136 . 1 . 1 20 20 LEU H H 1 8.303 0.020 . 1 . . . . . 21 LEU H . 51172 1 137 . 1 . 1 20 20 LEU HA H 1 4.299 0.020 . 1 . . . . . 21 LEU HA . 51172 1 138 . 1 . 1 20 20 LEU HB2 H 1 1.671 0.020 . 2 . . . . . 21 LEU HB2 . 51172 1 139 . 1 . 1 20 20 LEU HB3 H 1 1.597 0.020 . 2 . . . . . 21 LEU HB3 . 51172 1 140 . 1 . 1 20 20 LEU C C 13 177.950 0.3 . 1 . . . . . 21 LEU C . 51172 1 141 . 1 . 1 20 20 LEU CA C 13 55.728 0.3 . 1 . . . . . 21 LEU CA . 51172 1 142 . 1 . 1 20 20 LEU CB C 13 42.007 0.3 . 1 . . . . . 21 LEU CB . 51172 1 143 . 1 . 1 20 20 LEU N N 15 122.382 0.3 . 1 . . . . . 21 LEU N . 51172 1 144 . 1 . 1 21 21 SER H H 1 8.282 0.020 . 1 . . . . . 22 SER H . 51172 1 145 . 1 . 1 21 21 SER HA H 1 4.388 0.020 . 1 . . . . . 22 SER HA . 51172 1 146 . 1 . 1 21 21 SER HB2 H 1 3.910 0.020 . 2 . . . . . 22 SER HB2 . 51172 1 147 . 1 . 1 21 21 SER HB3 H 1 3.836 0.020 . 2 . . . . . 22 SER HB3 . 51172 1 148 . 1 . 1 21 21 SER C C 13 174.940 0.3 . 1 . . . . . 22 SER C . 51172 1 149 . 1 . 1 21 21 SER CA C 13 58.779 0.3 . 1 . . . . . 22 SER CA . 51172 1 150 . 1 . 1 21 21 SER CB C 13 63.592 0.3 . 1 . . . . . 22 SER CB . 51172 1 151 . 1 . 1 21 21 SER N N 15 115.535 0.3 . 1 . . . . . 22 SER N . 51172 1 152 . 1 . 1 22 22 SER H H 1 8.220 0.020 . 1 . . . . . 23 SER H . 51172 1 153 . 1 . 1 22 22 SER HA H 1 4.396 0.020 . 1 . . . . . 23 SER HA . 51172 1 154 . 1 . 1 22 22 SER HB2 H 1 3.875 0.020 . 2 . . . . . 23 SER HB2 . 51172 1 155 . 1 . 1 22 22 SER HB3 H 1 3.842 0.020 . 2 . . . . . 23 SER HB3 . 51172 1 156 . 1 . 1 22 22 SER C C 13 174.680 0.3 . 1 . . . . . 23 SER C . 51172 1 157 . 1 . 1 22 22 SER CA C 13 58.777 0.3 . 1 . . . . . 23 SER CA . 51172 1 158 . 1 . 1 22 22 SER CB C 13 63.721 0.3 . 1 . . . . . 23 SER CB . 51172 1 159 . 1 . 1 22 22 SER N N 15 117.458 0.3 . 1 . . . . . 23 SER N . 51172 1 160 . 1 . 1 23 23 LEU H H 1 8.052 0.020 . 1 . . . . . 24 LEU H . 51172 1 161 . 1 . 1 23 23 LEU HA H 1 4.298 0.020 . 1 . . . . . 24 LEU HA . 51172 1 162 . 1 . 1 23 23 LEU HB2 H 1 1.628 0.020 . 2 . . . . . 24 LEU HB2 . 51172 1 163 . 1 . 1 23 23 LEU HB3 H 1 1.584 0.020 . 2 . . . . . 24 LEU HB3 . 51172 1 164 . 1 . 1 23 23 LEU C C 13 177.196 0.3 . 1 . . . . . 24 LEU C . 51172 1 165 . 1 . 1 23 23 LEU CA C 13 55.443 0.3 . 1 . . . . . 24 LEU CA . 51172 1 166 . 1 . 1 23 23 LEU CB C 13 42.007 0.3 . 1 . . . . . 24 LEU CB . 51172 1 167 . 1 . 1 23 23 LEU N N 15 123.261 0.3 . 1 . . . . . 24 LEU N . 51172 1 168 . 1 . 1 24 24 ALA H H 1 8.017 0.020 . 1 . . . . . 25 ALA H . 51172 1 169 . 1 . 1 24 24 ALA HA H 1 4.191 0.020 . 1 . . . . . 25 ALA HA . 51172 1 170 . 1 . 1 24 24 ALA HB1 H 1 1.337 0.020 . 1 . . . . . 25 ALA HB . 51172 1 171 . 1 . 1 24 24 ALA HB2 H 1 1.337 0.020 . 1 . . . . . 25 ALA HB . 51172 1 172 . 1 . 1 24 24 ALA HB3 H 1 1.337 0.020 . 1 . . . . . 25 ALA HB . 51172 1 173 . 1 . 1 24 24 ALA C C 13 177.502 0.3 . 1 . . . . . 25 ALA C . 51172 1 174 . 1 . 1 24 24 ALA CA C 13 52.933 0.3 . 1 . . . . . 25 ALA CA . 51172 1 175 . 1 . 1 24 24 ALA CB C 13 19.059 0.3 . 1 . . . . . 25 ALA CB . 51172 1 176 . 1 . 1 24 24 ALA N N 15 122.963 0.3 . 1 . . . . . 25 ALA N . 51172 1 177 . 1 . 1 25 25 ASN H H 1 8.172 0.020 . 1 . . . . . 26 ASN H . 51172 1 178 . 1 . 1 25 25 ASN HA H 1 4.617 0.020 . 1 . . . . . 26 ASN HA . 51172 1 179 . 1 . 1 25 25 ASN HB2 H 1 2.720 0.020 . 2 . . . . . 26 ASN HB2 . 51172 1 180 . 1 . 1 25 25 ASN HB3 H 1 2.646 0.020 . 2 . . . . . 26 ASN HB3 . 51172 1 181 . 1 . 1 25 25 ASN C C 13 175.008 0.3 . 1 . . . . . 26 ASN C . 51172 1 182 . 1 . 1 25 25 ASN CA C 13 53.161 0.3 . 1 . . . . . 26 ASN CA . 51172 1 183 . 1 . 1 25 25 ASN CB C 13 38.637 0.3 . 1 . . . . . 26 ASN CB . 51172 1 184 . 1 . 1 25 25 ASN N N 15 116.482 0.3 . 1 . . . . . 26 ASN N . 51172 1 185 . 1 . 1 26 26 LEU H H 1 7.958 0.020 . 1 . . . . . 27 LEU H . 51172 1 186 . 1 . 1 26 26 LEU HA H 1 4.216 0.020 . 1 . . . . . 27 LEU HA . 51172 1 187 . 1 . 1 26 26 LEU HB2 H 1 1.448 0.020 . 2 . . . . . 27 LEU HB2 . 51172 1 188 . 1 . 1 26 26 LEU HB3 H 1 1.368 0.020 . 2 . . . . . 27 LEU HB3 . 51172 1 189 . 1 . 1 26 26 LEU C C 13 176.830 0.3 . 1 . . . . . 27 LEU C . 51172 1 190 . 1 . 1 26 26 LEU CA C 13 55.488 0.3 . 1 . . . . . 27 LEU CA . 51172 1 191 . 1 . 1 26 26 LEU CB C 13 42.168 0.3 . 1 . . . . . 27 LEU CB . 51172 1 192 . 1 . 1 26 26 LEU N N 15 121.647 0.3 . 1 . . . . . 27 LEU N . 51172 1 193 . 1 . 1 27 27 PHE H H 1 8.016 0.020 . 1 . . . . . 28 PHE H . 51172 1 194 . 1 . 1 27 27 PHE HA H 1 4.632 0.020 . 1 . . . . . 28 PHE HA . 51172 1 195 . 1 . 1 27 27 PHE HB2 H 1 3.173 0.020 . 2 . . . . . 28 PHE HB2 . 51172 1 196 . 1 . 1 27 27 PHE HB3 H 1 2.978 0.020 . 2 . . . . . 28 PHE HB3 . 51172 1 197 . 1 . 1 27 27 PHE C C 13 175.337 0.3 . 1 . . . . . 28 PHE C . 51172 1 198 . 1 . 1 27 27 PHE CA C 13 57.333 0.3 . 1 . . . . . 28 PHE CA . 51172 1 199 . 1 . 1 27 27 PHE CB C 13 39.520 0.3 . 1 . . . . . 28 PHE CB . 51172 1 200 . 1 . 1 27 27 PHE N N 15 118.910 0.3 . 1 . . . . . 28 PHE N . 51172 1 201 . 1 . 1 28 28 GLU H H 1 8.188 0.020 . 1 . . . . . 29 GLU H . 51172 1 202 . 1 . 1 28 28 GLU HA H 1 4.307 0.020 . 1 . . . . . 29 GLU HA . 51172 1 203 . 1 . 1 28 28 GLU HB2 H 1 1.987 0.020 . 2 . . . . . 29 GLU HB2 . 51172 1 204 . 1 . 1 28 28 GLU HB3 H 1 1.906 0.020 . 2 . . . . . 29 GLU HB3 . 51172 1 205 . 1 . 1 28 28 GLU C C 13 175.934 0.3 . 1 . . . . . 29 GLU C . 51172 1 206 . 1 . 1 28 28 GLU CA C 13 56.210 0.3 . 1 . . . . . 29 GLU CA . 51172 1 207 . 1 . 1 28 28 GLU CB C 13 30.292 0.3 . 1 . . . . . 29 GLU CB . 51172 1 208 . 1 . 1 28 28 GLU N N 15 121.607 0.3 . 1 . . . . . 29 GLU N . 51172 1 209 . 1 . 1 29 29 VAL H H 1 8.141 0.020 . 1 . . . . . 30 VAL H . 51172 1 210 . 1 . 1 29 29 VAL HA H 1 4.051 0.020 . 1 . . . . . 30 VAL HA . 51172 1 211 . 1 . 1 29 29 VAL HB H 1 2.022 0.020 . 1 . . . . . 30 VAL HB . 51172 1 212 . 1 . 1 29 29 VAL C C 13 175.949 0.3 . 1 . . . . . 30 VAL C . 51172 1 213 . 1 . 1 29 29 VAL CA C 13 62.148 0.3 . 1 . . . . . 30 VAL CA . 51172 1 214 . 1 . 1 29 29 VAL CB C 13 32.860 0.3 . 1 . . . . . 30 VAL CB . 51172 1 215 . 1 . 1 29 29 VAL N N 15 120.820 0.3 . 1 . . . . . 30 VAL N . 51172 1 216 . 1 . 1 30 30 GLU H H 1 8.479 0.020 . 1 . . . . . 31 GLU H . 51172 1 217 . 1 . 1 30 30 GLU HA H 1 4.300 0.020 . 1 . . . . . 31 GLU HA . 51172 1 218 . 1 . 1 30 30 GLU HB2 H 1 2.019 0.020 . 2 . . . . . 31 GLU HB2 . 51172 1 219 . 1 . 1 30 30 GLU HB3 H 1 1.903 0.020 . 2 . . . . . 31 GLU HB3 . 51172 1 220 . 1 . 1 30 30 GLU C C 13 175.866 0.3 . 1 . . . . . 31 GLU C . 51172 1 221 . 1 . 1 30 30 GLU CA C 13 56.290 0.3 . 1 . . . . . 31 GLU CA . 51172 1 222 . 1 . 1 30 30 GLU CB C 13 30.373 0.3 . 1 . . . . . 31 GLU CB . 51172 1 223 . 1 . 1 30 30 GLU N N 15 124.431 0.3 . 1 . . . . . 31 GLU N . 51172 1 224 . 1 . 1 31 31 ASP H H 1 8.413 0.020 . 1 . . . . . 32 ASP H . 51172 1 225 . 1 . 1 31 31 ASP HA H 1 4.584 0.020 . 1 . . . . . 32 ASP HA . 51172 1 226 . 1 . 1 31 31 ASP HB2 H 1 2.648 0.020 . 2 . . . . . 32 ASP HB2 . 51172 1 227 . 1 . 1 31 31 ASP HB3 H 1 2.586 0.020 . 2 . . . . . 32 ASP HB3 . 51172 1 228 . 1 . 1 31 31 ASP C C 13 175.821 0.3 . 1 . . . . . 32 ASP C . 51172 1 229 . 1 . 1 31 31 ASP CA C 13 54.198 0.3 . 1 . . . . . 32 ASP CA . 51172 1 230 . 1 . 1 31 31 ASP CB C 13 41.090 0.3 . 1 . . . . . 32 ASP CB . 51172 1 231 . 1 . 1 31 31 ASP N N 15 122.087 0.3 . 1 . . . . . 32 ASP N . 51172 1 232 . 1 . 1 32 32 THR H H 1 8.104 0.020 . 1 . . . . . 33 THR H . 51172 1 233 . 1 . 1 32 32 THR HA H 1 4.560 0.020 . 1 . . . . . 33 THR HA . 51172 1 234 . 1 . 1 32 32 THR C C 13 172.604 0.3 . 1 . . . . . 33 THR C . 51172 1 235 . 1 . 1 32 32 THR CA C 13 59.660 0.3 . 1 . . . . . 33 THR CA . 51172 1 236 . 1 . 1 32 32 THR CB C 13 69.931 0.3 . 1 . . . . . 33 THR CB . 51172 1 237 . 1 . 1 32 32 THR N N 15 116.787 0.3 . 1 . . . . . 33 THR N . 51172 1 238 . 1 . 1 33 33 PRO HA H 1 4.407 0.020 . 1 . . . . . 34 PRO HA . 51172 1 239 . 1 . 1 33 33 PRO HB2 H 1 2.252 0.020 . 2 . . . . . 34 PRO HB2 . 51172 1 240 . 1 . 1 33 33 PRO HB3 H 1 1.863 0.020 . 2 . . . . . 34 PRO HB3 . 51172 1 241 . 1 . 1 33 33 PRO C C 13 176.673 0.3 . 1 . . . . . 34 PRO C . 51172 1 242 . 1 . 1 33 33 PRO CA C 13 63.038 0.3 . 1 . . . . . 34 PRO CA . 51172 1 243 . 1 . 1 33 33 PRO CB C 13 31.978 0.3 . 1 . . . . . 34 PRO CB . 51172 1 244 . 1 . 1 34 34 SER H H 1 8.456 0.020 . 1 . . . . . 35 SER H . 51172 1 245 . 1 . 1 34 34 SER HA H 1 4.723 0.020 . 1 . . . . . 35 SER HA . 51172 1 246 . 1 . 1 34 34 SER C C 13 172.828 0.3 . 1 . . . . . 35 SER C . 51172 1 247 . 1 . 1 34 34 SER CA C 13 56.290 0.3 . 1 . . . . . 35 SER CA . 51172 1 248 . 1 . 1 34 34 SER CB C 13 63.431 0.3 . 1 . . . . . 35 SER CB . 51172 1 249 . 1 . 1 34 34 SER N N 15 117.787 0.3 . 1 . . . . . 35 SER N . 51172 1 250 . 1 . 1 35 35 PRO HA H 1 4.359 0.020 . 1 . . . . . 36 PRO HA . 51172 1 251 . 1 . 1 35 35 PRO HB2 H 1 2.268 0.020 . 2 . . . . . 36 PRO HB2 . 51172 1 252 . 1 . 1 35 35 PRO HB3 H 1 1.906 0.020 . 2 . . . . . 36 PRO HB3 . 51172 1 253 . 1 . 1 35 35 PRO C C 13 176.419 0.3 . 1 . . . . . 36 PRO C . 51172 1 254 . 1 . 1 35 35 PRO CA C 13 63.271 0.3 . 1 . . . . . 36 PRO CA . 51172 1 255 . 1 . 1 35 35 PRO CB C 13 31.897 0.3 . 1 . . . . . 36 PRO CB . 51172 1 256 . 1 . 1 36 36 ALA H H 1 8.275 0.020 . 1 . . . . . 37 ALA H . 51172 1 257 . 1 . 1 36 36 ALA HA H 1 4.276 0.020 . 1 . . . . . 37 ALA HA . 51172 1 258 . 1 . 1 36 36 ALA HB1 H 1 1.337 0.020 . 1 . . . . . 37 ALA HB . 51172 1 259 . 1 . 1 36 36 ALA HB2 H 1 1.337 0.020 . 1 . . . . . 37 ALA HB . 51172 1 260 . 1 . 1 36 36 ALA HB3 H 1 1.337 0.020 . 1 . . . . . 37 ALA HB . 51172 1 261 . 1 . 1 36 36 ALA C C 13 177.383 0.3 . 1 . . . . . 37 ALA C . 51172 1 262 . 1 . 1 36 36 ALA CA C 13 52.278 0.3 . 1 . . . . . 37 ALA CA . 51172 1 263 . 1 . 1 36 36 ALA CB C 13 19.219 0.3 . 1 . . . . . 37 ALA CB . 51172 1 264 . 1 . 1 36 36 ALA N N 15 123.701 0.3 . 1 . . . . . 37 ALA N . 51172 1 265 . 1 . 1 37 37 GLU H H 1 8.183 0.020 . 1 . . . . . 38 GLU H . 51172 1 266 . 1 . 1 37 37 GLU HA H 1 4.577 0.020 . 1 . . . . . 38 GLU HA . 51172 1 267 . 1 . 1 37 37 GLU C C 13 174.500 0.3 . 1 . . . . . 38 GLU C . 51172 1 268 . 1 . 1 37 37 GLU CA C 13 54.043 0.3 . 1 . . . . . 38 GLU CA . 51172 1 269 . 1 . 1 37 37 GLU CB C 13 29.731 0.3 . 1 . . . . . 38 GLU CB . 51172 1 270 . 1 . 1 37 37 GLU N N 15 121.011 0.3 . 1 . . . . . 38 GLU N . 51172 1 271 . 1 . 1 38 38 PRO HA H 1 4.411 0.020 . 1 . . . . . 39 PRO HA . 51172 1 272 . 1 . 1 38 38 PRO HB2 H 1 2.277 0.020 . 2 . . . . . 39 PRO HB2 . 51172 1 273 . 1 . 1 38 38 PRO HB3 H 1 1.894 0.020 . 2 . . . . . 39 PRO HB3 . 51172 1 274 . 1 . 1 38 38 PRO C C 13 176.957 0.3 . 1 . . . . . 39 PRO C . 51172 1 275 . 1 . 1 38 38 PRO CA C 13 63.244 0.3 . 1 . . . . . 39 PRO CA . 51172 1 276 . 1 . 1 38 38 PRO CB C 13 31.971 0.3 . 1 . . . . . 39 PRO CB . 51172 1 277 . 1 . 1 39 39 SER H H 1 8.411 0.020 . 1 . . . . . 40 SER H . 51172 1 278 . 1 . 1 39 39 SER HA H 1 4.390 0.020 . 1 . . . . . 40 SER HA . 51172 1 279 . 1 . 1 39 39 SER HB2 H 1 3.894 0.020 . 2 . . . . . 40 SER HB2 . 51172 1 280 . 1 . 1 39 39 SER HB3 H 1 3.813 0.020 . 2 . . . . . 40 SER HB3 . 51172 1 281 . 1 . 1 39 39 SER C C 13 174.709 0.3 . 1 . . . . . 40 SER C . 51172 1 282 . 1 . 1 39 39 SER CA C 13 58.537 0.3 . 1 . . . . . 40 SER CA . 51172 1 283 . 1 . 1 39 39 SER CB C 13 63.592 0.3 . 1 . . . . . 40 SER CB . 51172 1 284 . 1 . 1 39 39 SER N N 15 115.727 0.3 . 1 . . . . . 40 SER N . 51172 1 285 . 1 . 1 40 40 ARG H H 1 8.377 0.020 . 1 . . . . . 41 ARG H . 51172 1 286 . 1 . 1 40 40 ARG HA H 1 4.205 0.020 . 1 . . . . . 41 ARG HA . 51172 1 287 . 1 . 1 40 40 ARG HB2 H 1 1.905 0.020 . 2 . . . . . 41 ARG HB2 . 51172 1 288 . 1 . 1 40 40 ARG HB3 H 1 1.741 0.020 . 2 . . . . . 41 ARG HB3 . 51172 1 289 . 1 . 1 40 40 ARG C C 13 176.248 0.3 . 1 . . . . . 41 ARG C . 51172 1 290 . 1 . 1 40 40 ARG CA C 13 56.049 0.3 . 1 . . . . . 41 ARG CA . 51172 1 291 . 1 . 1 40 40 ARG CB C 13 30.854 0.3 . 1 . . . . . 41 ARG CB . 51172 1 292 . 1 . 1 40 40 ARG N N 15 123.066 0.3 . 1 . . . . . 41 ARG N . 51172 1 293 . 1 . 1 41 41 GLY H H 1 8.184 0.020 . 1 . . . . . 42 GLY H . 51172 1 294 . 1 . 1 41 41 GLY HA2 H 1 4.134 0.020 . 2 . . . . . 42 GLY HA2 . 51172 1 295 . 1 . 1 41 41 GLY HA3 H 1 4.004 0.020 . 2 . . . . . 42 GLY HA3 . 51172 1 296 . 1 . 1 41 41 GLY C C 13 170.931 0.3 . 1 . . . . . 42 GLY C . 51172 1 297 . 1 . 1 41 41 GLY CA C 13 44.334 0.3 . 1 . . . . . 42 GLY CA . 51172 1 298 . 1 . 1 41 41 GLY N N 15 109.701 0.3 . 1 . . . . . 42 GLY N . 51172 1 299 . 1 . 1 43 43 PRO HA H 1 4.422 0.020 . 1 . . . . . 44 PRO HA . 51172 1 300 . 1 . 1 43 43 PRO HB2 H 1 2.262 0.020 . 2 . . . . . 44 PRO HB2 . 51172 1 301 . 1 . 1 43 43 PRO HB3 H 1 1.916 0.020 . 2 . . . . . 44 PRO HB3 . 51172 1 302 . 1 . 1 43 43 PRO C C 13 177.569 0.3 . 1 . . . . . 44 PRO C . 51172 1 303 . 1 . 1 43 43 PRO CA C 13 63.351 0.3 . 1 . . . . . 44 PRO CA . 51172 1 304 . 1 . 1 43 43 PRO CB C 13 31.817 0.3 . 1 . . . . . 44 PRO CB . 51172 1 305 . 1 . 1 44 44 GLY H H 1 8.469 0.020 . 1 . . . . . 45 GLY H . 51172 1 306 . 1 . 1 44 44 GLY HA2 H 1 3.991 0.020 . 2 . . . . . 45 GLY HA2 . 51172 1 307 . 1 . 1 44 44 GLY HA3 H 1 3.909 0.020 . 2 . . . . . 45 GLY HA3 . 51172 1 308 . 1 . 1 44 44 GLY C C 13 173.811 0.3 . 1 . . . . . 45 GLY C . 51172 1 309 . 1 . 1 44 44 GLY CA C 13 45.058 0.3 . 1 . . . . . 45 GLY CA . 51172 1 310 . 1 . 1 44 44 GLY N N 15 109.254 0.3 . 1 . . . . . 45 GLY N . 51172 1 311 . 1 . 1 45 45 ALA H H 1 8.055 0.020 . 1 . . . . . 46 ALA H . 51172 1 312 . 1 . 1 45 45 ALA HA H 1 4.343 0.020 . 1 . . . . . 46 ALA HA . 51172 1 313 . 1 . 1 45 45 ALA HB1 H 1 1.343 0.020 . 1 . . . . . 46 ALA HB . 51172 1 314 . 1 . 1 45 45 ALA HB2 H 1 1.343 0.020 . 1 . . . . . 46 ALA HB . 51172 1 315 . 1 . 1 45 45 ALA HB3 H 1 1.343 0.020 . 1 . . . . . 46 ALA HB . 51172 1 316 . 1 . 1 45 45 ALA C C 13 177.935 0.3 . 1 . . . . . 46 ALA C . 51172 1 317 . 1 . 1 45 45 ALA CA C 13 52.396 0.3 . 1 . . . . . 46 ALA CA . 51172 1 318 . 1 . 1 45 45 ALA CB C 13 19.300 0.3 . 1 . . . . . 46 ALA CB . 51172 1 319 . 1 . 1 45 45 ALA N N 15 123.692 0.3 . 1 . . . . . 46 ALA N . 51172 1 320 . 1 . 1 46 46 VAL H H 1 8.175 0.020 . 1 . . . . . 47 VAL H . 51172 1 321 . 1 . 1 46 46 VAL HA H 1 4.036 0.020 . 1 . . . . . 47 VAL HA . 51172 1 322 . 1 . 1 46 46 VAL HB H 1 2.074 0.020 . 1 . . . . . 47 VAL HB . 51172 1 323 . 1 . 1 46 46 VAL C C 13 175.941 0.3 . 1 . . . . . 47 VAL C . 51172 1 324 . 1 . 1 46 46 VAL CA C 13 62.228 0.3 . 1 . . . . . 47 VAL CA . 51172 1 325 . 1 . 1 46 46 VAL CB C 13 32.619 0.3 . 1 . . . . . 47 VAL CB . 51172 1 326 . 1 . 1 46 46 VAL N N 15 118.810 0.3 . 1 . . . . . 47 VAL N . 51172 1 327 . 1 . 1 47 47 ASP H H 1 8.354 0.020 . 1 . . . . . 48 ASP H . 51172 1 328 . 1 . 1 47 47 ASP HA H 1 4.616 0.020 . 1 . . . . . 48 ASP HA . 51172 1 329 . 1 . 1 47 47 ASP HB2 H 1 2.696 0.020 . 2 . . . . . 48 ASP HB2 . 51172 1 330 . 1 . 1 47 47 ASP HB3 H 1 2.649 0.020 . 2 . . . . . 48 ASP HB3 . 51172 1 331 . 1 . 1 47 47 ASP C C 13 176.740 0.3 . 1 . . . . . 48 ASP C . 51172 1 332 . 1 . 1 47 47 ASP CA C 13 54.204 0.3 . 1 . . . . . 48 ASP CA . 51172 1 333 . 1 . 1 47 47 ASP CB C 13 41.205 0.3 . 1 . . . . . 48 ASP CB . 51172 1 334 . 1 . 1 47 47 ASP N N 15 123.403 0.3 . 1 . . . . . 48 ASP N . 51172 1 335 . 1 . 1 48 48 GLY H H 1 8.353 0.020 . 1 . . . . . 49 GLY H . 51172 1 336 . 1 . 1 48 48 GLY HA2 H 1 3.953 0.020 . 2 . . . . . 49 GLY HA2 . 51172 1 337 . 1 . 1 48 48 GLY HA3 H 1 3.947 0.020 . 2 . . . . . 49 GLY HA3 . 51172 1 338 . 1 . 1 48 48 GLY C C 13 174.665 0.3 . 1 . . . . . 49 GLY C . 51172 1 339 . 1 . 1 48 48 GLY CA C 13 45.698 0.3 . 1 . . . . . 49 GLY CA . 51172 1 340 . 1 . 1 48 48 GLY N N 15 109.492 0.3 . 1 . . . . . 49 GLY N . 51172 1 341 . 1 . 1 49 49 LYS H H 1 8.216 0.020 . 1 . . . . . 50 LYS H . 51172 1 342 . 1 . 1 49 49 LYS HA H 1 4.278 0.020 . 1 . . . . . 50 LYS HA . 51172 1 343 . 1 . 1 49 49 LYS HB2 H 1 1.863 0.020 . 2 . . . . . 50 LYS HB2 . 51172 1 344 . 1 . 1 49 49 LYS HB3 H 1 1.801 0.020 . 2 . . . . . 50 LYS HB3 . 51172 1 345 . 1 . 1 49 49 LYS C C 13 177.009 0.3 . 1 . . . . . 50 LYS C . 51172 1 346 . 1 . 1 49 49 LYS CA C 13 56.691 0.3 . 1 . . . . . 50 LYS CA . 51172 1 347 . 1 . 1 49 49 LYS CB C 13 32.539 0.3 . 1 . . . . . 50 LYS CB . 51172 1 348 . 1 . 1 49 49 LYS N N 15 120.376 0.3 . 1 . . . . . 50 LYS N . 51172 1 349 . 1 . 1 50 50 GLN H H 1 8.384 0.020 . 1 . . . . . 51 GLN H . 51172 1 350 . 1 . 1 50 50 GLN HA H 1 4.206 0.020 . 1 . . . . . 51 GLN HA . 51172 1 351 . 1 . 1 50 50 GLN HB2 H 1 2.083 0.020 . 2 . . . . . 51 GLN HB2 . 51172 1 352 . 1 . 1 50 50 GLN HB3 H 1 1.999 0.020 . 2 . . . . . 51 GLN HB3 . 51172 1 353 . 1 . 1 50 50 GLN C C 13 175.919 0.3 . 1 . . . . . 51 GLN C . 51172 1 354 . 1 . 1 50 50 GLN CA C 13 56.451 0.3 . 1 . . . . . 51 GLN CA . 51172 1 355 . 1 . 1 50 50 GLN CB C 13 29.056 0.3 . 1 . . . . . 51 GLN CB . 51172 1 356 . 1 . 1 50 50 GLN N N 15 120.172 0.3 . 1 . . . . . 51 GLN N . 51172 1 357 . 1 . 1 51 51 ASN H H 1 8.406 0.020 . 1 . . . . . 52 ASN H . 51172 1 358 . 1 . 1 51 51 ASN HA H 1 4.655 0.020 . 1 . . . . . 52 ASN HA . 51172 1 359 . 1 . 1 51 51 ASN HB2 H 1 2.811 0.020 . 2 . . . . . 52 ASN HB2 . 51172 1 360 . 1 . 1 51 51 ASN HB3 H 1 2.738 0.020 . 2 . . . . . 52 ASN HB3 . 51172 1 361 . 1 . 1 51 51 ASN C C 13 175.433 0.3 . 1 . . . . . 52 ASN C . 51172 1 362 . 1 . 1 51 51 ASN CA C 13 53.482 0.3 . 1 . . . . . 52 ASN CA . 51172 1 363 . 1 . 1 51 51 ASN CB C 13 38.477 0.3 . 1 . . . . . 52 ASN CB . 51172 1 364 . 1 . 1 51 51 ASN N N 15 119.307 0.3 . 1 . . . . . 52 ASN N . 51172 1 365 . 1 . 1 52 52 LEU H H 1 8.156 0.020 . 1 . . . . . 53 LEU H . 51172 1 366 . 1 . 1 52 52 LEU HA H 1 4.264 0.020 . 1 . . . . . 53 LEU HA . 51172 1 367 . 1 . 1 52 52 LEU HB2 H 1 1.638 0.020 . 2 . . . . . 53 LEU HB2 . 51172 1 368 . 1 . 1 52 52 LEU HB3 H 1 1.594 0.020 . 2 . . . . . 53 LEU HB3 . 51172 1 369 . 1 . 1 52 52 LEU C C 13 177.532 0.3 . 1 . . . . . 53 LEU C . 51172 1 370 . 1 . 1 52 52 LEU CA C 13 55.809 0.3 . 1 . . . . . 53 LEU CA . 51172 1 371 . 1 . 1 52 52 LEU CB C 13 42.088 0.3 . 1 . . . . . 53 LEU CB . 51172 1 372 . 1 . 1 52 52 LEU N N 15 122.243 0.3 . 1 . . . . . 53 LEU N . 51172 1 373 . 1 . 1 53 53 ARG H H 1 8.210 0.020 . 1 . . . . . 54 ARG H . 51172 1 374 . 1 . 1 53 53 ARG HA H 1 4.208 0.020 . 1 . . . . . 54 ARG HA . 51172 1 375 . 1 . 1 53 53 ARG HB2 H 1 1.832 0.020 . 2 . . . . . 54 ARG HB2 . 51172 1 376 . 1 . 1 53 53 ARG HB3 H 1 1.795 0.020 . 2 . . . . . 54 ARG HB3 . 51172 1 377 . 1 . 1 53 53 ARG C C 13 176.494 0.3 . 1 . . . . . 54 ARG C . 51172 1 378 . 1 . 1 53 53 ARG CA C 13 56.649 0.3 . 1 . . . . . 54 ARG CA . 51172 1 379 . 1 . 1 53 53 ARG CB C 13 30.303 0.3 . 1 . . . . . 54 ARG CB . 51172 1 380 . 1 . 1 53 53 ARG N N 15 120.242 0.3 . 1 . . . . . 54 ARG N . 51172 1 381 . 1 . 1 54 54 MET H H 1 8.117 0.020 . 1 . . . . . 55 MET H . 51172 1 382 . 1 . 1 54 54 MET HA H 1 4.408 0.020 . 1 . . . . . 55 MET HA . 51172 1 383 . 1 . 1 54 54 MET HB2 H 1 2.005 0.020 . 2 . . . . . 55 MET HB2 . 51172 1 384 . 1 . 1 54 54 MET HB3 H 1 1.937 0.020 . 2 . . . . . 55 MET HB3 . 51172 1 385 . 1 . 1 54 54 MET C C 13 176.083 0.3 . 1 . . . . . 55 MET C . 51172 1 386 . 1 . 1 54 54 MET CA C 13 55.623 0.3 . 1 . . . . . 55 MET CA . 51172 1 387 . 1 . 1 54 54 MET CB C 13 32.780 0.3 . 1 . . . . . 55 MET CB . 51172 1 388 . 1 . 1 54 54 MET N N 15 119.982 0.3 . 1 . . . . . 55 MET N . 51172 1 389 . 1 . 1 55 55 LYS H H 1 8.140 0.020 . 1 . . . . . 56 LYS H . 51172 1 390 . 1 . 1 55 55 LYS HA H 1 4.272 0.020 . 1 . . . . . 56 LYS HA . 51172 1 391 . 1 . 1 55 55 LYS C C 13 176.083 0.3 . 1 . . . . . 56 LYS C . 51172 1 392 . 1 . 1 55 55 LYS CA C 13 56.478 0.3 . 1 . . . . . 56 LYS CA . 51172 1 393 . 1 . 1 55 55 LYS CB C 13 32.871 0.3 . 1 . . . . . 56 LYS CB . 51172 1 394 . 1 . 1 55 55 LYS N N 15 121.681 0.3 . 1 . . . . . 56 LYS N . 51172 1 395 . 1 . 1 56 56 PHE H H 1 8.186 0.020 . 1 . . . . . 57 PHE H . 51172 1 396 . 1 . 1 56 56 PHE HA H 1 4.579 0.020 . 1 . . . . . 57 PHE HA . 51172 1 397 . 1 . 1 56 56 PHE HB2 H 1 3.055 0.020 . 2 . . . . . 57 PHE HB2 . 51172 1 398 . 1 . 1 56 56 PHE HB3 H 1 2.986 0.020 . 2 . . . . . 57 PHE HB3 . 51172 1 399 . 1 . 1 56 56 PHE C C 13 175.431 0.3 . 1 . . . . . 57 PHE C . 51172 1 400 . 1 . 1 56 56 PHE CA C 13 57.602 0.3 . 1 . . . . . 57 PHE CA . 51172 1 401 . 1 . 1 56 56 PHE CB C 13 39.575 0.3 . 1 . . . . . 57 PHE CB . 51172 1 402 . 1 . 1 56 56 PHE N N 15 120.406 0.3 . 1 . . . . . 57 PHE N . 51172 1 403 . 1 . 1 57 57 HIS H H 1 8.406 0.020 . 1 . . . . . 58 HIS H . 51172 1 404 . 1 . 1 57 57 HIS HA H 1 4.604 0.020 . 1 . . . . . 58 HIS HA . 51172 1 405 . 1 . 1 57 57 HIS HB2 H 1 3.193 0.020 . 2 . . . . . 58 HIS HB2 . 51172 1 406 . 1 . 1 57 57 HIS HB3 H 1 3.111 0.020 . 2 . . . . . 58 HIS HB3 . 51172 1 407 . 1 . 1 57 57 HIS C C 13 174.612 0.3 . 1 . . . . . 58 HIS C . 51172 1 408 . 1 . 1 57 57 HIS CA C 13 55.479 0.3 . 1 . . . . . 58 HIS CA . 51172 1 409 . 1 . 1 57 57 HIS CB C 13 29.188 0.3 . 1 . . . . . 58 HIS CB . 51172 1 410 . 1 . 1 57 57 HIS N N 15 120.745 0.3 . 1 . . . . . 58 HIS N . 51172 1 411 . 1 . 1 58 58 GLY H H 1 7.959 0.020 . 1 . . . . . 59 GLY H . 51172 1 412 . 1 . 1 58 58 GLY HA2 H 1 3.883 0.020 . 2 . . . . . 59 GLY HA2 . 51172 1 413 . 1 . 1 58 58 GLY HA3 H 1 3.846 0.020 . 2 . . . . . 59 GLY HA3 . 51172 1 414 . 1 . 1 58 58 GLY C C 13 173.351 0.3 . 1 . . . . . 59 GLY C . 51172 1 415 . 1 . 1 58 58 GLY CA C 13 45.206 0.3 . 1 . . . . . 59 GLY CA . 51172 1 416 . 1 . 1 58 58 GLY N N 15 109.260 0.3 . 1 . . . . . 59 GLY N . 51172 1 417 . 1 . 1 59 59 ALA H H 1 8.143 0.020 . 1 . . . . . 60 ALA H . 51172 1 418 . 1 . 1 59 59 ALA HA H 1 4.285 0.020 . 1 . . . . . 60 ALA HA . 51172 1 419 . 1 . 1 59 59 ALA HB1 H 1 1.351 0.020 . 1 . . . . . 60 ALA HB . 51172 1 420 . 1 . 1 59 59 ALA HB2 H 1 1.351 0.020 . 1 . . . . . 60 ALA HB . 51172 1 421 . 1 . 1 59 59 ALA HB3 H 1 1.351 0.020 . 1 . . . . . 60 ALA HB . 51172 1 422 . 1 . 1 59 59 ALA C C 13 177.181 0.3 . 1 . . . . . 60 ALA C . 51172 1 423 . 1 . 1 59 59 ALA CA C 13 52.278 0.3 . 1 . . . . . 60 ALA CA . 51172 1 424 . 1 . 1 59 59 ALA CB C 13 19.318 0.3 . 1 . . . . . 60 ALA CB . 51172 1 425 . 1 . 1 59 59 ALA N N 15 123.570 0.3 . 1 . . . . . 60 ALA N . 51172 1 426 . 1 . 1 60 60 PHE H H 1 8.208 0.020 . 1 . . . . . 61 PHE H . 51172 1 427 . 1 . 1 60 60 PHE HA H 1 4.462 0.020 . 1 . . . . . 61 PHE HA . 51172 1 428 . 1 . 1 60 60 PHE HB2 H 1 3.068 0.020 . 2 . . . . . 61 PHE HB2 . 51172 1 429 . 1 . 1 60 60 PHE HB3 H 1 3.010 0.020 . 2 . . . . . 61 PHE HB3 . 51172 1 430 . 1 . 1 60 60 PHE C C 13 175.463 0.3 . 1 . . . . . 61 PHE C . 51172 1 431 . 1 . 1 60 60 PHE CA C 13 57.574 0.3 . 1 . . . . . 61 PHE CA . 51172 1 432 . 1 . 1 60 60 PHE CB C 13 39.500 0.3 . 1 . . . . . 61 PHE CB . 51172 1 433 . 1 . 1 60 60 PHE N N 15 119.407 0.3 . 1 . . . . . 61 PHE N . 51172 1 434 . 1 . 1 61 61 ARG H H 1 8.172 0.020 . 1 . . . . . 62 ARG H . 51172 1 435 . 1 . 1 61 61 ARG HA H 1 4.207 0.020 . 1 . . . . . 62 ARG HA . 51172 1 436 . 1 . 1 61 61 ARG HB2 H 1 1.764 0.020 . 2 . . . . . 62 ARG HB2 . 51172 1 437 . 1 . 1 61 61 ARG HB3 H 1 1.683 0.020 . 2 . . . . . 62 ARG HB3 . 51172 1 438 . 1 . 1 61 61 ARG C C 13 175.501 0.3 . 1 . . . . . 62 ARG C . 51172 1 439 . 1 . 1 61 61 ARG CA C 13 55.809 0.3 . 1 . . . . . 62 ARG CA . 51172 1 440 . 1 . 1 61 61 ARG CB C 13 30.854 0.3 . 1 . . . . . 62 ARG CB . 51172 1 441 . 1 . 1 61 61 ARG N N 15 123.032 0.3 . 1 . . . . . 62 ARG N . 51172 1 442 . 1 . 1 62 62 LYS H H 1 8.340 0.020 . 1 . . . . . 63 LYS H . 51172 1 443 . 1 . 1 62 62 LYS HA H 1 4.232 0.020 . 1 . . . . . 63 LYS HA . 51172 1 444 . 1 . 1 62 62 LYS HB2 H 1 1.828 0.020 . 2 . . . . . 63 LYS HB2 . 51172 1 445 . 1 . 1 62 62 LYS HB3 H 1 1.746 0.020 . 2 . . . . . 63 LYS HB3 . 51172 1 446 . 1 . 1 62 62 LYS C C 13 176.464 0.3 . 1 . . . . . 63 LYS C . 51172 1 447 . 1 . 1 62 62 LYS CA C 13 56.210 0.3 . 1 . . . . . 63 LYS CA . 51172 1 448 . 1 . 1 62 62 LYS CB C 13 33.136 0.3 . 1 . . . . . 63 LYS CB . 51172 1 449 . 1 . 1 62 62 LYS N N 15 123.118 0.3 . 1 . . . . . 63 LYS N . 51172 1 450 . 1 . 1 63 63 GLY H H 1 8.210 0.020 . 1 . . . . . 64 GLY H . 51172 1 451 . 1 . 1 63 63 GLY HA2 H 1 4.131 0.020 . 2 . . . . . 64 GLY HA2 . 51172 1 452 . 1 . 1 63 63 GLY HA3 H 1 4.003 0.020 . 2 . . . . . 64 GLY HA3 . 51172 1 453 . 1 . 1 63 63 GLY C C 13 170.872 0.3 . 1 . . . . . 64 GLY C . 51172 1 454 . 1 . 1 63 63 GLY CA C 13 44.254 0.3 . 1 . . . . . 64 GLY CA . 51172 1 455 . 1 . 1 63 63 GLY N N 15 110.403 0.3 . 1 . . . . . 64 GLY N . 51172 1 456 . 1 . 1 65 65 PRO HA H 1 4.399 0.020 . 1 . . . . . 66 PRO HA . 51172 1 457 . 1 . 1 65 65 PRO HB2 H 1 2.218 0.020 . 2 . . . . . 66 PRO HB2 . 51172 1 458 . 1 . 1 65 65 PRO HB3 H 1 1.860 0.020 . 2 . . . . . 66 PRO HB3 . 51172 1 459 . 1 . 1 65 65 PRO C C 13 176.524 0.3 . 1 . . . . . 66 PRO C . 51172 1 460 . 1 . 1 65 65 PRO CA C 13 62.789 0.3 . 1 . . . . . 66 PRO CA . 51172 1 461 . 1 . 1 65 65 PRO CB C 13 31.787 0.3 . 1 . . . . . 66 PRO CB . 51172 1 462 . 1 . 1 66 66 LYS H H 1 8.340 0.020 . 1 . . . . . 67 LYS H . 51172 1 463 . 1 . 1 66 66 LYS HA H 1 4.581 0.020 . 1 . . . . . 67 LYS HA . 51172 1 464 . 1 . 1 66 66 LYS C C 13 174.620 0.3 . 1 . . . . . 67 LYS C . 51172 1 465 . 1 . 1 66 66 LYS CA C 13 54.043 0.3 . 1 . . . . . 67 LYS CA . 51172 1 466 . 1 . 1 66 66 LYS CB C 13 32.459 0.3 . 1 . . . . . 67 LYS CB . 51172 1 467 . 1 . 1 66 66 LYS N N 15 122.526 0.3 . 1 . . . . . 67 LYS N . 51172 1 468 . 1 . 1 67 67 PRO HA H 1 4.358 0.020 . 1 . . . . . 68 PRO HA . 51172 1 469 . 1 . 1 67 67 PRO HB3 H 1 1.883 0.020 . 1 . . . . . 68 PRO HB3 . 51172 1 470 . 1 . 1 67 67 PRO C C 13 176.408 0.3 . 1 . . . . . 68 PRO C . 51172 1 471 . 1 . 1 67 67 PRO CA C 13 62.853 0.3 . 1 . . . . . 68 PRO CA . 51172 1 472 . 1 . 1 67 67 PRO CB C 13 32.521 0.3 . 1 . . . . . 68 PRO CB . 51172 1 473 . 1 . 1 68 68 MET H H 1 8.458 0.020 . 1 . . . . . 69 MET H . 51172 1 474 . 1 . 1 68 68 MET HA H 1 4.371 0.020 . 1 . . . . . 69 MET HA . 51172 1 475 . 1 . 1 68 68 MET HB2 H 1 2.018 0.020 . 2 . . . . . 69 MET HB2 . 51172 1 476 . 1 . 1 68 68 MET HB3 H 1 1.986 0.020 . 2 . . . . . 69 MET HB3 . 51172 1 477 . 1 . 1 68 68 MET C C 13 176.351 0.3 . 1 . . . . . 69 MET C . 51172 1 478 . 1 . 1 68 68 MET CA C 13 56.041 0.3 . 1 . . . . . 69 MET CA . 51172 1 479 . 1 . 1 68 68 MET CB C 13 31.903 0.3 . 1 . . . . . 69 MET CB . 51172 1 480 . 1 . 1 68 68 MET N N 15 119.645 0.3 . 1 . . . . . 69 MET N . 51172 1 481 . 1 . 1 69 69 GLU H H 1 8.365 0.020 . 1 . . . . . 70 GLU H . 51172 1 482 . 1 . 1 69 69 GLU HA H 1 4.254 0.020 . 1 . . . . . 70 GLU HA . 51172 1 483 . 1 . 1 69 69 GLU HB2 H 1 1.961 0.020 . 1 . . . . . 70 GLU HB2 . 51172 1 484 . 1 . 1 69 69 GLU HB3 H 1 1.961 0.020 . 1 . . . . . 70 GLU HB3 . 51172 1 485 . 1 . 1 69 69 GLU C C 13 176.248 0.3 . 1 . . . . . 70 GLU C . 51172 1 486 . 1 . 1 69 69 GLU CA C 13 56.771 0.3 . 1 . . . . . 70 GLU CA . 51172 1 487 . 1 . 1 69 69 GLU CB C 13 30.133 0.3 . 1 . . . . . 70 GLU CB . 51172 1 488 . 1 . 1 69 69 GLU N N 15 121.434 0.3 . 1 . . . . . 70 GLU N . 51172 1 489 . 1 . 1 70 70 LEU H H 1 8.145 0.020 . 1 . . . . . 71 LEU H . 51172 1 490 . 1 . 1 70 70 LEU HA H 1 4.350 0.020 . 1 . . . . . 71 LEU HA . 51172 1 491 . 1 . 1 70 70 LEU C C 13 177.185 0.3 . 1 . . . . . 71 LEU C . 51172 1 492 . 1 . 1 70 70 LEU CA C 13 55.199 0.3 . 1 . . . . . 71 LEU CA . 51172 1 493 . 1 . 1 70 70 LEU CB C 13 42.218 0.3 . 1 . . . . . 71 LEU CB . 51172 1 494 . 1 . 1 70 70 LEU N N 15 122.570 0.3 . 1 . . . . . 71 LEU N . 51172 1 495 . 1 . 1 71 71 LEU H H 1 8.133 0.020 . 1 . . . . . 72 LEU H . 51172 1 496 . 1 . 1 71 71 LEU HA H 1 4.348 0.020 . 1 . . . . . 72 LEU HA . 51172 1 497 . 1 . 1 71 71 LEU HB2 H 1 1.615 0.020 . 2 . . . . . 72 LEU HB2 . 51172 1 498 . 1 . 1 71 71 LEU HB3 H 1 1.356 0.020 . 2 . . . . . 72 LEU HB3 . 51172 1 499 . 1 . 1 71 71 LEU C C 13 177.435 0.3 . 1 . . . . . 72 LEU C . 51172 1 500 . 1 . 1 71 71 LEU CA C 13 55.209 0.3 . 1 . . . . . 72 LEU CA . 51172 1 501 . 1 . 1 71 71 LEU CB C 13 42.248 0.3 . 1 . . . . . 72 LEU CB . 51172 1 502 . 1 . 1 71 71 LEU N N 15 122.706 0.3 . 1 . . . . . 72 LEU N . 51172 1 503 . 1 . 1 72 72 GLU H H 1 8.361 0.020 . 1 . . . . . 73 GLU H . 51172 1 504 . 1 . 1 72 72 GLU HA H 1 4.248 0.020 . 1 . . . . . 73 GLU HA . 51172 1 505 . 1 . 1 72 72 GLU HB2 H 1 2.042 0.020 . 2 . . . . . 73 GLU HB2 . 51172 1 506 . 1 . 1 72 72 GLU HB3 H 1 1.993 0.020 . 2 . . . . . 73 GLU HB3 . 51172 1 507 . 1 . 1 72 72 GLU C C 13 176.472 0.3 . 1 . . . . . 73 GLU C . 51172 1 508 . 1 . 1 72 72 GLU CA C 13 56.771 0.3 . 1 . . . . . 73 GLU CA . 51172 1 509 . 1 . 1 72 72 GLU CB C 13 30.052 0.3 . 1 . . . . . 73 GLU CB . 51172 1 510 . 1 . 1 72 72 GLU N N 15 121.163 0.3 . 1 . . . . . 73 GLU N . 51172 1 511 . 1 . 1 73 73 SER H H 1 8.261 0.020 . 1 . . . . . 74 SER H . 51172 1 512 . 1 . 1 73 73 SER HA H 1 4.466 0.020 . 1 . . . . . 74 SER HA . 51172 1 513 . 1 . 1 73 73 SER HB2 H 1 3.885 0.020 . 2 . . . . . 74 SER HB2 . 51172 1 514 . 1 . 1 73 73 SER HB3 H 1 3.842 0.020 . 2 . . . . . 74 SER HB3 . 51172 1 515 . 1 . 1 73 73 SER C C 13 174.758 0.3 . 1 . . . . . 74 SER C . 51172 1 516 . 1 . 1 73 73 SER CA C 13 58.617 0.3 . 1 . . . . . 74 SER CA . 51172 1 517 . 1 . 1 73 73 SER CB C 13 63.672 0.3 . 1 . . . . . 74 SER CB . 51172 1 518 . 1 . 1 73 73 SER N N 15 116.039 0.3 . 1 . . . . . 74 SER N . 51172 1 519 . 1 . 1 74 74 THR H H 1 8.111 0.020 . 1 . . . . . 75 THR H . 51172 1 520 . 1 . 1 74 74 THR HA H 1 4.296 0.020 . 1 . . . . . 75 THR HA . 51172 1 521 . 1 . 1 74 74 THR HB H 1 4.167 0.020 . 1 . . . . . 75 THR HB . 51172 1 522 . 1 . 1 74 74 THR C C 13 174.366 0.3 . 1 . . . . . 75 THR C . 51172 1 523 . 1 . 1 74 74 THR CA C 13 62.283 0.3 . 1 . . . . . 75 THR CA . 51172 1 524 . 1 . 1 74 74 THR CB C 13 69.694 0.3 . 1 . . . . . 75 THR CB . 51172 1 525 . 1 . 1 74 74 THR N N 15 116.186 0.3 . 1 . . . . . 75 THR N . 51172 1 526 . 1 . 1 75 75 ILE H H 1 7.979 0.020 . 1 . . . . . 76 ILE H . 51172 1 527 . 1 . 1 75 75 ILE HA H 1 4.681 0.020 . 1 . . . . . 76 ILE HA . 51172 1 528 . 1 . 1 75 75 ILE HB H 1 1.743 0.020 . 1 . . . . . 76 ILE HB . 51172 1 529 . 1 . 1 75 75 ILE C C 13 175.868 0.3 . 1 . . . . . 76 ILE C . 51172 1 530 . 1 . 1 75 75 ILE CA C 13 61.425 0.3 . 1 . . . . . 76 ILE CA . 51172 1 531 . 1 . 1 75 75 ILE CB C 13 38.477 0.3 . 1 . . . . . 76 ILE CB . 51172 1 532 . 1 . 1 75 75 ILE N N 15 122.324 0.3 . 1 . . . . . 76 ILE N . 51172 1 533 . 1 . 1 76 76 TYR H H 1 8.147 0.020 . 1 . . . . . 77 TYR H . 51172 1 534 . 1 . 1 76 76 TYR HA H 1 4.578 0.020 . 1 . . . . . 77 TYR HA . 51172 1 535 . 1 . 1 76 76 TYR HB2 H 1 3.061 0.020 . 2 . . . . . 77 TYR HB2 . 51172 1 536 . 1 . 1 76 76 TYR HB3 H 1 2.851 0.020 . 2 . . . . . 77 TYR HB3 . 51172 1 537 . 1 . 1 76 76 TYR C C 13 175.789 0.3 . 1 . . . . . 77 TYR C . 51172 1 538 . 1 . 1 76 76 TYR CA C 13 57.895 0.3 . 1 . . . . . 77 TYR CA . 51172 1 539 . 1 . 1 76 76 TYR CB C 13 38.753 0.3 . 1 . . . . . 77 TYR CB . 51172 1 540 . 1 . 1 76 76 TYR N N 15 123.649 0.3 . 1 . . . . . 77 TYR N . 51172 1 541 . 1 . 1 77 77 GLU H H 1 8.269 0.020 . 1 . . . . . 78 GLU H . 51172 1 542 . 1 . 1 77 77 GLU HA H 1 4.267 0.020 . 1 . . . . . 78 GLU HA . 51172 1 543 . 1 . 1 77 77 GLU HB2 H 1 1.993 0.020 . 2 . . . . . 78 GLU HB2 . 51172 1 544 . 1 . 1 77 77 GLU HB3 H 1 1.900 0.020 . 2 . . . . . 78 GLU HB3 . 51172 1 545 . 1 . 1 77 77 GLU C C 13 176.143 0.3 . 1 . . . . . 78 GLU C . 51172 1 546 . 1 . 1 77 77 GLU CA C 13 56.531 0.3 . 1 . . . . . 78 GLU CA . 51172 1 547 . 1 . 1 77 77 GLU CB C 13 30.212 0.3 . 1 . . . . . 78 GLU CB . 51172 1 548 . 1 . 1 77 77 GLU N N 15 122.478 0.3 . 1 . . . . . 78 GLU N . 51172 1 549 . 1 . 1 78 78 SER H H 1 8.276 0.020 . 1 . . . . . 79 SER H . 51172 1 550 . 1 . 1 78 78 SER HA H 1 4.405 0.020 . 1 . . . . . 79 SER HA . 51172 1 551 . 1 . 1 78 78 SER HB2 H 1 3.885 0.020 . 2 . . . . . 79 SER HB2 . 51172 1 552 . 1 . 1 78 78 SER HB3 H 1 3.823 0.020 . 2 . . . . . 79 SER HB3 . 51172 1 553 . 1 . 1 78 78 SER C C 13 174.560 0.3 . 1 . . . . . 79 SER C . 51172 1 554 . 1 . 1 78 78 SER CA C 13 58.457 0.3 . 1 . . . . . 79 SER CA . 51172 1 555 . 1 . 1 78 78 SER CB C 13 63.833 0.3 . 1 . . . . . 79 SER CB . 51172 1 556 . 1 . 1 78 78 SER N N 15 116.463 0.3 . 1 . . . . . 79 SER N . 51172 1 557 . 1 . 1 79 79 SER H H 1 8.307 0.020 . 1 . . . . . 80 SER H . 51172 1 558 . 1 . 1 79 79 SER HA H 1 4.431 0.020 . 1 . . . . . 80 SER HA . 51172 1 559 . 1 . 1 79 79 SER HB2 H 1 3.874 0.020 . 2 . . . . . 80 SER HB2 . 51172 1 560 . 1 . 1 79 79 SER HB3 H 1 3.822 0.020 . 2 . . . . . 80 SER HB3 . 51172 1 561 . 1 . 1 79 79 SER C C 13 174.217 0.3 . 1 . . . . . 80 SER C . 51172 1 562 . 1 . 1 79 79 SER CA C 13 58.457 0.3 . 1 . . . . . 80 SER CA . 51172 1 563 . 1 . 1 79 79 SER CB C 13 63.833 0.3 . 1 . . . . . 80 SER CB . 51172 1 564 . 1 . 1 79 79 SER N N 15 117.603 0.3 . 1 . . . . . 80 SER N . 51172 1 565 . 1 . 1 80 80 VAL H H 1 8.039 0.020 . 1 . . . . . 81 VAL H . 51172 1 566 . 1 . 1 80 80 VAL HA H 1 4.096 0.020 . 1 . . . . . 81 VAL HA . 51172 1 567 . 1 . 1 80 80 VAL HB H 1 2.022 0.020 . 1 . . . . . 81 VAL HB . 51172 1 568 . 1 . 1 80 80 VAL C C 13 175.859 0.3 . 1 . . . . . 81 VAL C . 51172 1 569 . 1 . 1 80 80 VAL CA C 13 62.289 0.3 . 1 . . . . . 81 VAL CA . 51172 1 570 . 1 . 1 80 80 VAL CB C 13 32.459 0.3 . 1 . . . . . 81 VAL CB . 51172 1 571 . 1 . 1 80 80 VAL N N 15 121.451 0.3 . 1 . . . . . 81 VAL N . 51172 1 572 . 1 . 1 81 81 VAL H H 1 8.156 0.020 . 1 . . . . . 82 VAL H . 51172 1 573 . 1 . 1 81 81 VAL HA H 1 4.387 0.020 . 1 . . . . . 82 VAL HA . 51172 1 574 . 1 . 1 81 81 VAL C C 13 174.187 0.3 . 1 . . . . . 82 VAL C . 51172 1 575 . 1 . 1 81 81 VAL CA C 13 59.740 0.3 . 1 . . . . . 82 VAL CA . 51172 1 576 . 1 . 1 81 81 VAL CB C 13 32.539 0.3 . 1 . . . . . 82 VAL CB . 51172 1 577 . 1 . 1 81 81 VAL N N 15 125.601 0.3 . 1 . . . . . 82 VAL N . 51172 1 578 . 1 . 1 82 82 PRO HA H 1 4.405 0.020 . 1 . . . . . 83 PRO HA . 51172 1 579 . 1 . 1 82 82 PRO HB2 H 1 2.233 0.020 . 2 . . . . . 83 PRO HB2 . 51172 1 580 . 1 . 1 82 82 PRO HB3 H 1 1.849 0.020 . 2 . . . . . 83 PRO HB3 . 51172 1 581 . 1 . 1 82 82 PRO C C 13 176.016 0.3 . 1 . . . . . 83 PRO C . 51172 1 582 . 1 . 1 82 82 PRO CA C 13 62.789 0.3 . 1 . . . . . 83 PRO CA . 51172 1 583 . 1 . 1 82 82 PRO CB C 13 31.978 0.3 . 1 . . . . . 83 PRO CB . 51172 1 584 . 1 . 1 83 83 ALA H H 1 8.296 0.020 . 1 . . . . . 84 ALA H . 51172 1 585 . 1 . 1 83 83 ALA HA H 1 4.555 0.020 . 1 . . . . . 84 ALA HA . 51172 1 586 . 1 . 1 83 83 ALA C C 13 175.486 0.3 . 1 . . . . . 84 ALA C . 51172 1 587 . 1 . 1 83 83 ALA CA C 13 50.352 0.3 . 1 . . . . . 84 ALA CA . 51172 1 588 . 1 . 1 83 83 ALA CB C 13 18.016 0.3 . 1 . . . . . 84 ALA CB . 51172 1 589 . 1 . 1 83 83 ALA N N 15 125.553 0.3 . 1 . . . . . 84 ALA N . 51172 1 590 . 1 . 1 84 84 PRO HA H 1 4.383 0.020 . 1 . . . . . 85 PRO HA . 51172 1 591 . 1 . 1 84 84 PRO HB2 H 1 2.246 0.020 . 2 . . . . . 85 PRO HB2 . 51172 1 592 . 1 . 1 84 84 PRO HB3 H 1 1.869 0.020 . 2 . . . . . 85 PRO HB3 . 51172 1 593 . 1 . 1 84 84 PRO C C 13 176.762 0.3 . 1 . . . . . 85 PRO C . 51172 1 594 . 1 . 1 84 84 PRO CA C 13 62.950 0.3 . 1 . . . . . 85 PRO CA . 51172 1 595 . 1 . 1 84 84 PRO CB C 13 31.978 0.3 . 1 . . . . . 85 PRO CB . 51172 1 596 . 1 . 1 85 85 LYS H H 1 8.367 0.020 . 1 . . . . . 86 LYS H . 51172 1 597 . 1 . 1 85 85 LYS HA H 1 4.259 0.020 . 1 . . . . . 86 LYS HA . 51172 1 598 . 1 . 1 85 85 LYS HB2 H 1 1.766 0.020 . 2 . . . . . 86 LYS HB2 . 51172 1 599 . 1 . 1 85 85 LYS HB3 H 1 1.717 0.020 . 2 . . . . . 86 LYS HB3 . 51172 1 600 . 1 . 1 85 85 LYS C C 13 176.418 0.3 . 1 . . . . . 86 LYS C . 51172 1 601 . 1 . 1 85 85 LYS CA C 13 56.051 0.3 . 1 . . . . . 86 LYS CA . 51172 1 602 . 1 . 1 85 85 LYS CB C 13 33.021 0.3 . 1 . . . . . 86 LYS CB . 51172 1 603 . 1 . 1 85 85 LYS N N 15 121.608 0.3 . 1 . . . . . 86 LYS N . 51172 1 604 . 1 . 1 86 86 LYS H H 1 8.289 0.020 . 1 . . . . . 87 LYS H . 51172 1 605 . 1 . 1 86 86 LYS HA H 1 4.264 0.020 . 1 . . . . . 87 LYS HA . 51172 1 606 . 1 . 1 86 86 LYS HB2 H 1 1.757 0.020 . 2 . . . . . 87 LYS HB2 . 51172 1 607 . 1 . 1 86 86 LYS HB3 H 1 1.711 0.020 . 2 . . . . . 87 LYS HB3 . 51172 1 608 . 1 . 1 86 86 LYS C C 13 175.684 0.3 . 1 . . . . . 87 LYS C . 51172 1 609 . 1 . 1 86 86 LYS CA C 13 55.860 0.3 . 1 . . . . . 87 LYS CA . 51172 1 610 . 1 . 1 86 86 LYS CB C 13 33.136 0.3 . 1 . . . . . 87 LYS CB . 51172 1 611 . 1 . 1 86 86 LYS N N 15 122.870 0.3 . 1 . . . . . 87 LYS N . 51172 1 612 . 1 . 1 87 87 ALA H H 1 8.384 0.020 . 1 . . . . . 88 ALA H . 51172 1 613 . 1 . 1 87 87 ALA HA H 1 4.555 0.020 . 1 . . . . . 88 ALA HA . 51172 1 614 . 1 . 1 87 87 ALA HB1 H 1 1.350 0.020 . 1 . . . . . 88 ALA HB . 51172 1 615 . 1 . 1 87 87 ALA HB2 H 1 1.350 0.020 . 1 . . . . . 88 ALA HB . 51172 1 616 . 1 . 1 87 87 ALA HB3 H 1 1.350 0.020 . 1 . . . . . 88 ALA HB . 51172 1 617 . 1 . 1 87 87 ALA C C 13 175.531 0.3 . 1 . . . . . 88 ALA C . 51172 1 618 . 1 . 1 87 87 ALA CA C 13 50.433 0.3 . 1 . . . . . 88 ALA CA . 51172 1 619 . 1 . 1 87 87 ALA CB C 13 18.065 0.3 . 1 . . . . . 88 ALA CB . 51172 1 620 . 1 . 1 87 87 ALA N N 15 127.265 0.3 . 1 . . . . . 88 ALA N . 51172 1 621 . 1 . 1 88 88 PRO HA H 1 4.364 0.020 . 1 . . . . . 89 PRO HA . 51172 1 622 . 1 . 1 88 88 PRO HB2 H 1 2.277 0.020 . 2 . . . . . 89 PRO HB2 . 51172 1 623 . 1 . 1 88 88 PRO HB3 H 1 1.906 0.020 . 2 . . . . . 89 PRO HB3 . 51172 1 624 . 1 . 1 88 88 PRO C C 13 177.121 0.3 . 1 . . . . . 89 PRO C . 51172 1 625 . 1 . 1 88 88 PRO CA C 13 63.271 0.3 . 1 . . . . . 89 PRO CA . 51172 1 626 . 1 . 1 88 88 PRO CB C 13 31.817 0.3 . 1 . . . . . 89 PRO CB . 51172 1 627 . 1 . 1 89 89 MET H H 1 8.435 0.020 . 1 . . . . . 90 MET H . 51172 1 628 . 1 . 1 89 89 MET HA H 1 4.400 0.020 . 1 . . . . . 90 MET HA . 51172 1 629 . 1 . 1 89 89 MET HB2 H 1 2.020 0.020 . 2 . . . . . 90 MET HB2 . 51172 1 630 . 1 . 1 89 89 MET HB3 H 1 1.983 0.020 . 2 . . . . . 90 MET HB3 . 51172 1 631 . 1 . 1 89 89 MET C C 13 176.024 0.3 . 1 . . . . . 90 MET C . 51172 1 632 . 1 . 1 89 89 MET CA C 13 55.809 0.3 . 1 . . . . . 90 MET CA . 51172 1 633 . 1 . 1 89 89 MET CB C 13 32.700 0.3 . 1 . . . . . 90 MET CB . 51172 1 634 . 1 . 1 89 89 MET N N 15 119.792 0.3 . 1 . . . . . 90 MET N . 51172 1 635 . 1 . 1 90 90 ASP H H 1 8.276 0.020 . 1 . . . . . 91 ASP H . 51172 1 636 . 1 . 1 90 90 ASP HA H 1 4.577 0.020 . 1 . . . . . 91 ASP HA . 51172 1 637 . 1 . 1 90 90 ASP HB2 H 1 2.685 0.020 . 2 . . . . . 91 ASP HB2 . 51172 1 638 . 1 . 1 90 90 ASP HB3 H 1 2.636 0.020 . 2 . . . . . 91 ASP HB3 . 51172 1 639 . 1 . 1 90 90 ASP C C 13 176.300 0.3 . 1 . . . . . 91 ASP C . 51172 1 640 . 1 . 1 90 90 ASP CA C 13 54.525 0.3 . 1 . . . . . 91 ASP CA . 51172 1 641 . 1 . 1 90 90 ASP CB C 13 41.090 0.3 . 1 . . . . . 91 ASP CB . 51172 1 642 . 1 . 1 90 90 ASP N N 15 120.920 0.3 . 1 . . . . . 91 ASP N . 51172 1 643 . 1 . 1 91 91 SER H H 1 8.170 0.020 . 1 . . . . . 92 SER H . 51172 1 644 . 1 . 1 91 91 SER HA H 1 4.402 0.020 . 1 . . . . . 92 SER HA . 51172 1 645 . 1 . 1 91 91 SER HB2 H 1 3.857 0.020 . 2 . . . . . 92 SER HB2 . 51172 1 646 . 1 . 1 91 91 SER HB3 H 1 3.803 0.020 . 2 . . . . . 92 SER HB3 . 51172 1 647 . 1 . 1 91 91 SER C C 13 174.456 0.3 . 1 . . . . . 92 SER C . 51172 1 648 . 1 . 1 91 91 SER CA C 13 58.617 0.3 . 1 . . . . . 92 SER CA . 51172 1 649 . 1 . 1 91 91 SER CB C 13 63.752 0.3 . 1 . . . . . 92 SER CB . 51172 1 650 . 1 . 1 91 91 SER N N 15 115.545 0.3 . 1 . . . . . 92 SER N . 51172 1 651 . 1 . 1 92 92 LEU H H 1 8.135 0.020 . 1 . . . . . 93 LEU H . 51172 1 652 . 1 . 1 92 92 LEU HA H 1 4.294 0.020 . 1 . . . . . 93 LEU HA . 51172 1 653 . 1 . 1 92 92 LEU HB2 H 1 1.461 0.020 . 2 . . . . . 93 LEU HB2 . 51172 1 654 . 1 . 1 92 92 LEU HB3 H 1 1.393 0.020 . 2 . . . . . 93 LEU HB3 . 51172 1 655 . 1 . 1 92 92 LEU C C 13 176.950 0.3 . 1 . . . . . 93 LEU C . 51172 1 656 . 1 . 1 92 92 LEU CA C 13 55.488 0.3 . 1 . . . . . 93 LEU CA . 51172 1 657 . 1 . 1 92 92 LEU CB C 13 42.007 0.3 . 1 . . . . . 93 LEU CB . 51172 1 658 . 1 . 1 92 92 LEU N N 15 123.204 0.3 . 1 . . . . . 93 LEU N . 51172 1 659 . 1 . 1 93 93 PHE H H 1 7.970 0.020 . 1 . . . . . 94 PHE H . 51172 1 660 . 1 . 1 93 93 PHE HA H 1 4.570 0.020 . 1 . . . . . 94 PHE HA . 51172 1 661 . 1 . 1 93 93 PHE HB2 H 1 2.921 0.020 . 2 . . . . . 94 PHE HB2 . 51172 1 662 . 1 . 1 93 93 PHE HB3 H 1 2.842 0.020 . 2 . . . . . 94 PHE HB3 . 51172 1 663 . 1 . 1 93 93 PHE C C 13 174.919 0.3 . 1 . . . . . 94 PHE C . 51172 1 664 . 1 . 1 93 93 PHE CA C 13 57.654 0.3 . 1 . . . . . 94 PHE CA . 51172 1 665 . 1 . 1 93 93 PHE CB C 13 39.680 0.3 . 1 . . . . . 94 PHE CB . 51172 1 666 . 1 . 1 93 93 PHE N N 15 119.611 0.3 . 1 . . . . . 94 PHE N . 51172 1 667 . 1 . 1 94 94 ASP H H 1 8.031 0.020 . 1 . . . . . 95 ASP H . 51172 1 668 . 1 . 1 94 94 ASP HA H 1 4.578 0.020 . 1 . . . . . 95 ASP HA . 51172 1 669 . 1 . 1 94 94 ASP HB2 H 1 2.789 0.020 . 2 . . . . . 95 ASP HB2 . 51172 1 670 . 1 . 1 94 94 ASP HB3 H 1 2.507 0.020 . 2 . . . . . 95 ASP HB3 . 51172 1 671 . 1 . 1 94 94 ASP C C 13 175.785 0.3 . 1 . . . . . 95 ASP C . 51172 1 672 . 1 . 1 94 94 ASP CA C 13 53.637 0.3 . 1 . . . . . 95 ASP CA . 51172 1 673 . 1 . 1 94 94 ASP CB C 13 41.125 0.3 . 1 . . . . . 95 ASP CB . 51172 1 674 . 1 . 1 94 94 ASP N N 15 121.746 0.3 . 1 . . . . . 95 ASP N . 51172 1 675 . 1 . 1 95 95 TYR H H 1 8.163 0.020 . 1 . . . . . 96 TYR H . 51172 1 676 . 1 . 1 95 95 TYR HA H 1 4.462 0.020 . 1 . . . . . 96 TYR HA . 51172 1 677 . 1 . 1 95 95 TYR HB2 H 1 2.841 0.020 . 2 . . . . . 96 TYR HB2 . 51172 1 678 . 1 . 1 95 95 TYR HB3 H 1 2.609 0.020 . 2 . . . . . 96 TYR HB3 . 51172 1 679 . 1 . 1 95 95 TYR C C 13 176.643 0.3 . 1 . . . . . 96 TYR C . 51172 1 680 . 1 . 1 95 95 TYR CA C 13 58.858 0.3 . 1 . . . . . 96 TYR CA . 51172 1 681 . 1 . 1 95 95 TYR CB C 13 38.450 0.3 . 1 . . . . . 96 TYR CB . 51172 1 682 . 1 . 1 95 95 TYR N N 15 121.746 0.3 . 1 . . . . . 96 TYR N . 51172 1 683 . 1 . 1 96 96 GLY H H 1 8.437 0.020 . 1 . . . . . 97 GLY H . 51172 1 684 . 1 . 1 96 96 GLY HA2 H 1 3.949 0.020 . 2 . . . . . 97 GLY HA2 . 51172 1 685 . 1 . 1 96 96 GLY HA3 H 1 3.866 0.020 . 2 . . . . . 97 GLY HA3 . 51172 1 686 . 1 . 1 96 96 GLY C C 13 174.709 0.3 . 1 . . . . . 97 GLY C . 51172 1 687 . 1 . 1 96 96 GLY CA C 13 45.779 0.3 . 1 . . . . . 97 GLY CA . 51172 1 688 . 1 . 1 96 96 GLY N N 15 109.072 0.3 . 1 . . . . . 97 GLY N . 51172 1 689 . 1 . 1 97 97 THR H H 1 7.896 0.020 . 1 . . . . . 98 THR H . 51172 1 690 . 1 . 1 97 97 THR HA H 1 4.220 0.020 . 1 . . . . . 98 THR HA . 51172 1 691 . 1 . 1 97 97 THR HB H 1 4.106 0.020 . 1 . . . . . 98 THR HB . 51172 1 692 . 1 . 1 97 97 THR C C 13 174.597 0.3 . 1 . . . . . 98 THR C . 51172 1 693 . 1 . 1 97 97 THR CA C 13 62.494 0.3 . 1 . . . . . 98 THR CA . 51172 1 694 . 1 . 1 97 97 THR CB C 13 69.668 0.3 . 1 . . . . . 98 THR CB . 51172 1 695 . 1 . 1 97 97 THR N N 15 113.663 0.3 . 1 . . . . . 98 THR N . 51172 1 696 . 1 . 1 98 98 TYR H H 1 8.097 0.020 . 1 . . . . . 99 TYR H . 51172 1 697 . 1 . 1 98 98 TYR HA H 1 4.417 0.020 . 1 . . . . . 99 TYR HA . 51172 1 698 . 1 . 1 98 98 TYR HB2 H 1 2.943 0.020 . 2 . . . . . 99 TYR HB2 . 51172 1 699 . 1 . 1 98 98 TYR HB3 H 1 2.697 0.020 . 2 . . . . . 99 TYR HB3 . 51172 1 700 . 1 . 1 98 98 TYR C C 13 175.620 0.3 . 1 . . . . . 99 TYR C . 51172 1 701 . 1 . 1 98 98 TYR CA C 13 58.294 0.3 . 1 . . . . . 99 TYR CA . 51172 1 702 . 1 . 1 98 98 TYR CB C 13 38.316 0.3 . 1 . . . . . 99 TYR CB . 51172 1 703 . 1 . 1 98 98 TYR N N 15 122.133 0.3 . 1 . . . . . 99 TYR N . 51172 1 704 . 1 . 1 99 99 ARG H H 1 7.995 0.020 . 1 . . . . . 100 ARG H . 51172 1 705 . 1 . 1 99 99 ARG HA H 1 4.240 0.020 . 1 . . . . . 100 ARG HA . 51172 1 706 . 1 . 1 99 99 ARG HB2 H 1 1.738 0.020 . 2 . . . . . 100 ARG HB2 . 51172 1 707 . 1 . 1 99 99 ARG HB3 H 1 1.669 0.020 . 2 . . . . . 100 ARG HB3 . 51172 1 708 . 1 . 1 99 99 ARG C C 13 175.687 0.3 . 1 . . . . . 100 ARG C . 51172 1 709 . 1 . 1 99 99 ARG CA C 13 55.962 0.3 . 1 . . . . . 100 ARG CA . 51172 1 710 . 1 . 1 99 99 ARG CB C 13 30.613 0.3 . 1 . . . . . 100 ARG CB . 51172 1 711 . 1 . 1 99 99 ARG N N 15 121.850 0.3 . 1 . . . . . 100 ARG N . 51172 1 712 . 1 . 1 100 100 GLN H H 1 8.141 0.020 . 1 . . . . . 101 GLN H . 51172 1 713 . 1 . 1 100 100 GLN HA H 1 4.298 0.020 . 1 . . . . . 101 GLN HA . 51172 1 714 . 1 . 1 100 100 GLN HB2 H 1 1.962 0.020 . 2 . . . . . 101 GLN HB2 . 51172 1 715 . 1 . 1 100 100 GLN HB3 H 1 1.886 0.020 . 2 . . . . . 101 GLN HB3 . 51172 1 716 . 1 . 1 100 100 GLN C C 13 175.414 0.3 . 1 . . . . . 101 GLN C . 51172 1 717 . 1 . 1 100 100 GLN CA C 13 55.889 0.3 . 1 . . . . . 101 GLN CA . 51172 1 718 . 1 . 1 100 100 GLN CB C 13 29.424 0.3 . 1 . . . . . 101 GLN CB . 51172 1 719 . 1 . 1 100 100 GLN N N 15 120.088 0.3 . 1 . . . . . 101 GLN N . 51172 1 720 . 1 . 1 101 101 HIS H H 1 8.414 0.020 . 1 . . . . . 102 HIS H . 51172 1 721 . 1 . 1 101 101 HIS HA H 1 4.893 0.020 . 1 . . . . . 102 HIS HA . 51172 1 722 . 1 . 1 101 101 HIS C C 13 172.655 0.3 . 1 . . . . . 102 HIS C . 51172 1 723 . 1 . 1 101 101 HIS CA C 13 53.446 0.3 . 1 . . . . . 102 HIS CA . 51172 1 724 . 1 . 1 101 101 HIS CB C 13 28.913 0.3 . 1 . . . . . 102 HIS CB . 51172 1 725 . 1 . 1 101 101 HIS N N 15 119.897 0.3 . 1 . . . . . 102 HIS N . 51172 1 726 . 1 . 1 102 102 PRO HA H 1 4.394 0.020 . 1 . . . . . 103 PRO HA . 51172 1 727 . 1 . 1 102 102 PRO HB2 H 1 2.246 0.020 . 2 . . . . . 103 PRO HB2 . 51172 1 728 . 1 . 1 102 102 PRO HB3 H 1 1.894 0.020 . 2 . . . . . 103 PRO HB3 . 51172 1 729 . 1 . 1 102 102 PRO C C 13 177.061 0.3 . 1 . . . . . 103 PRO C . 51172 1 730 . 1 . 1 102 102 PRO CA C 13 63.672 0.3 . 1 . . . . . 103 PRO CA . 51172 1 731 . 1 . 1 102 102 PRO CB C 13 31.978 0.3 . 1 . . . . . 103 PRO CB . 51172 1 732 . 1 . 1 103 103 SER H H 1 8.522 0.020 . 1 . . . . . 104 SER H . 51172 1 733 . 1 . 1 103 103 SER HA H 1 4.432 0.020 . 1 . . . . . 104 SER HA . 51172 1 734 . 1 . 1 103 103 SER HB2 H 1 3.888 0.020 . 2 . . . . . 104 SER HB2 . 51172 1 735 . 1 . 1 103 103 SER HB3 H 1 3.853 0.020 . 2 . . . . . 104 SER HB3 . 51172 1 736 . 1 . 1 103 103 SER C C 13 174.776 0.3 . 1 . . . . . 104 SER C . 51172 1 737 . 1 . 1 103 103 SER CA C 13 58.777 0.3 . 1 . . . . . 104 SER CA . 51172 1 738 . 1 . 1 103 103 SER CB C 13 63.672 0.3 . 1 . . . . . 104 SER CB . 51172 1 739 . 1 . 1 103 103 SER N N 15 115.787 0.3 . 1 . . . . . 104 SER N . 51172 1 740 . 1 . 1 104 104 GLU H H 1 8.429 0.020 . 1 . . . . . 105 GLU H . 51172 1 741 . 1 . 1 104 104 GLU HA H 1 4.275 0.020 . 1 . . . . . 105 GLU HA . 51172 1 742 . 1 . 1 104 104 GLU HB2 H 1 2.048 0.020 . 2 . . . . . 105 GLU HB2 . 51172 1 743 . 1 . 1 104 104 GLU HB3 H 1 1.980 0.020 . 2 . . . . . 105 GLU HB3 . 51172 1 744 . 1 . 1 104 104 GLU C C 13 176.173 0.3 . 1 . . . . . 105 GLU C . 51172 1 745 . 1 . 1 104 104 GLU CA C 13 56.771 0.3 . 1 . . . . . 105 GLU CA . 51172 1 746 . 1 . 1 104 104 GLU CB C 13 30.132 0.3 . 1 . . . . . 105 GLU CB . 51172 1 747 . 1 . 1 104 104 GLU N N 15 122.578 0.3 . 1 . . . . . 105 GLU N . 51172 1 748 . 1 . 1 105 105 ASN H H 1 8.354 0.020 . 1 . . . . . 106 ASN H . 51172 1 749 . 1 . 1 105 105 ASN HA H 1 4.617 0.020 . 1 . . . . . 106 ASN HA . 51172 1 750 . 1 . 1 105 105 ASN HB2 H 1 3.114 0.020 . 2 . . . . . 106 ASN HB2 . 51172 1 751 . 1 . 1 105 105 ASN HB3 H 1 3.059 0.020 . 2 . . . . . 106 ASN HB3 . 51172 1 752 . 1 . 1 105 105 ASN C C 13 175.344 0.3 . 1 . . . . . 106 ASN C . 51172 1 753 . 1 . 1 105 105 ASN CA C 13 53.404 0.3 . 1 . . . . . 106 ASN CA . 51172 1 754 . 1 . 1 105 105 ASN CB C 13 38.645 0.3 . 1 . . . . . 106 ASN CB . 51172 1 755 . 1 . 1 105 105 ASN N N 15 119.545 0.3 . 1 . . . . . 106 ASN N . 51172 1 756 . 1 . 1 106 106 LYS H H 1 8.266 0.020 . 1 . . . . . 107 LYS H . 51172 1 757 . 1 . 1 106 106 LYS HA H 1 4.271 0.020 . 1 . . . . . 107 LYS HA . 51172 1 758 . 1 . 1 106 106 LYS HB2 H 1 1.671 0.020 . 2 . . . . . 107 LYS HB2 . 51172 1 759 . 1 . 1 106 106 LYS HB3 H 1 1.616 0.020 . 2 . . . . . 107 LYS HB3 . 51172 1 760 . 1 . 1 106 106 LYS C C 13 176.547 0.3 . 1 . . . . . 107 LYS C . 51172 1 761 . 1 . 1 106 106 LYS CA C 13 56.611 0.3 . 1 . . . . . 107 LYS CA . 51172 1 762 . 1 . 1 106 106 LYS CB C 13 32.623 0.3 . 1 . . . . . 107 LYS CB . 51172 1 763 . 1 . 1 106 106 LYS N N 15 121.632 0.3 . 1 . . . . . 107 LYS N . 51172 1 764 . 1 . 1 107 107 ARG H H 1 8.181 0.020 . 1 . . . . . 108 ARG H . 51172 1 765 . 1 . 1 107 107 ARG HA H 1 4.260 0.020 . 1 . . . . . 108 ARG HA . 51172 1 766 . 1 . 1 107 107 ARG HB2 H 1 1.690 0.020 . 2 . . . . . 108 ARG HB2 . 51172 1 767 . 1 . 1 107 107 ARG HB3 H 1 1.653 0.020 . 2 . . . . . 108 ARG HB3 . 51172 1 768 . 1 . 1 107 107 ARG C C 13 176.061 0.3 . 1 . . . . . 108 ARG C . 51172 1 769 . 1 . 1 107 107 ARG CA C 13 56.465 0.3 . 1 . . . . . 108 ARG CA . 51172 1 770 . 1 . 1 107 107 ARG CB C 13 30.339 0.3 . 1 . . . . . 108 ARG CB . 51172 1 771 . 1 . 1 107 107 ARG N N 15 120.689 0.3 . 1 . . . . . 108 ARG N . 51172 1 772 . 1 . 1 108 108 TRP H H 1 7.989 0.020 . 1 . . . . . 109 TRP H . 51172 1 773 . 1 . 1 108 108 TRP HA H 1 4.660 0.020 . 1 . . . . . 109 TRP HA . 51172 1 774 . 1 . 1 108 108 TRP HB2 H 1 2.730 0.020 . 2 . . . . . 109 TRP HB2 . 51172 1 775 . 1 . 1 108 108 TRP HB3 H 1 2.672 0.020 . 2 . . . . . 109 TRP HB3 . 51172 1 776 . 1 . 1 108 108 TRP C C 13 175.919 0.3 . 1 . . . . . 109 TRP C . 51172 1 777 . 1 . 1 108 108 TRP CA C 13 57.092 0.3 . 1 . . . . . 109 TRP CA . 51172 1 778 . 1 . 1 108 108 TRP CB C 13 29.572 0.3 . 1 . . . . . 109 TRP CB . 51172 1 779 . 1 . 1 108 108 TRP N N 15 121.161 0.3 . 1 . . . . . 109 TRP N . 51172 1 780 . 1 . 1 109 109 ARG H H 1 8.023 0.020 . 1 . . . . . 110 ARG H . 51172 1 781 . 1 . 1 109 109 ARG HA H 1 4.289 0.020 . 1 . . . . . 110 ARG HA . 51172 1 782 . 1 . 1 109 109 ARG HB2 H 1 1.911 0.020 . 2 . . . . . 110 ARG HB2 . 51172 1 783 . 1 . 1 109 109 ARG HB3 H 1 1.756 0.020 . 2 . . . . . 110 ARG HB3 . 51172 1 784 . 1 . 1 109 109 ARG C C 13 175.501 0.3 . 1 . . . . . 110 ARG C . 51172 1 785 . 1 . 1 109 109 ARG CA C 13 55.889 0.3 . 1 . . . . . 110 ARG CA . 51172 1 786 . 1 . 1 109 109 ARG CB C 13 30.984 0.3 . 1 . . . . . 110 ARG CB . 51172 1 787 . 1 . 1 109 109 ARG N N 15 122.376 0.3 . 1 . . . . . 110 ARG N . 51172 1 788 . 1 . 1 110 110 ARG H H 1 8.186 0.020 . 1 . . . . . 111 ARG H . 51172 1 789 . 1 . 1 110 110 ARG HA H 1 4.283 0.020 . 1 . . . . . 111 ARG HA . 51172 1 790 . 1 . 1 110 110 ARG HB2 H 1 1.756 0.020 . 2 . . . . . 111 ARG HB2 . 51172 1 791 . 1 . 1 110 110 ARG HB3 H 1 1.697 0.020 . 2 . . . . . 111 ARG HB3 . 51172 1 792 . 1 . 1 110 110 ARG C C 13 175.934 0.3 . 1 . . . . . 111 ARG C . 51172 1 793 . 1 . 1 110 110 ARG CA C 13 55.889 0.3 . 1 . . . . . 111 ARG CA . 51172 1 794 . 1 . 1 110 110 ARG CB C 13 30.750 0.3 . 1 . . . . . 111 ARG CB . 51172 1 795 . 1 . 1 110 110 ARG N N 15 122.133 0.3 . 1 . . . . . 111 ARG N . 51172 1 796 . 1 . 1 111 111 ARG H H 1 8.357 0.020 . 1 . . . . . 112 ARG H . 51172 1 797 . 1 . 1 111 111 ARG HA H 1 4.299 0.020 . 1 . . . . . 112 ARG HA . 51172 1 798 . 1 . 1 111 111 ARG HB2 H 1 1.774 0.020 . 2 . . . . . 112 ARG HB2 . 51172 1 799 . 1 . 1 111 111 ARG HB3 H 1 1.725 0.020 . 2 . . . . . 112 ARG HB3 . 51172 1 800 . 1 . 1 111 111 ARG C C 13 175.941 0.3 . 1 . . . . . 112 ARG C . 51172 1 801 . 1 . 1 111 111 ARG CA C 13 56.049 0.3 . 1 . . . . . 112 ARG CA . 51172 1 802 . 1 . 1 111 111 ARG CB C 13 30.854 0.3 . 1 . . . . . 112 ARG CB . 51172 1 803 . 1 . 1 111 111 ARG N N 15 123.127 0.3 . 1 . . . . . 112 ARG N . 51172 1 804 . 1 . 1 112 112 VAL H H 1 8.231 0.020 . 1 . . . . . 113 VAL H . 51172 1 805 . 1 . 1 112 112 VAL HA H 1 4.108 0.020 . 1 . . . . . 113 VAL HA . 51172 1 806 . 1 . 1 112 112 VAL HB H 1 1.998 0.020 . 1 . . . . . 113 VAL HB . 51172 1 807 . 1 . 1 112 112 VAL C C 13 175.777 0.3 . 1 . . . . . 113 VAL C . 51172 1 808 . 1 . 1 112 112 VAL CA C 13 62.228 0.3 . 1 . . . . . 113 VAL CA . 51172 1 809 . 1 . 1 112 112 VAL CB C 13 32.780 0.3 . 1 . . . . . 113 VAL CB . 51172 1 810 . 1 . 1 112 112 VAL N N 15 122.723 0.3 . 1 . . . . . 113 VAL N . 51172 1 811 . 1 . 1 113 113 VAL H H 1 8.229 0.020 . 1 . . . . . 114 VAL H . 51172 1 812 . 1 . 1 113 113 VAL HA H 1 4.097 0.020 . 1 . . . . . 114 VAL HA . 51172 1 813 . 1 . 1 113 113 VAL HB H 1 2.009 0.020 . 1 . . . . . 114 VAL HB . 51172 1 814 . 1 . 1 113 113 VAL C C 13 175.746 0.3 . 1 . . . . . 114 VAL C . 51172 1 815 . 1 . 1 113 113 VAL CA C 13 62.042 0.3 . 1 . . . . . 114 VAL CA . 51172 1 816 . 1 . 1 113 113 VAL CB C 13 32.700 0.3 . 1 . . . . . 114 VAL CB . 51172 1 817 . 1 . 1 113 113 VAL N N 15 124.669 0.3 . 1 . . . . . 114 VAL N . 51172 1 818 . 1 . 1 114 114 GLU H H 1 8.473 0.020 . 1 . . . . . 115 GLU H . 51172 1 819 . 1 . 1 114 114 GLU HA H 1 4.273 0.020 . 1 . . . . . 115 GLU HA . 51172 1 820 . 1 . 1 114 114 GLU HB2 H 1 1.978 0.020 . 2 . . . . . 115 GLU HB2 . 51172 1 821 . 1 . 1 114 114 GLU HB3 H 1 1.882 0.020 . 2 . . . . . 115 GLU HB3 . 51172 1 822 . 1 . 1 114 114 GLU C C 13 175.822 0.3 . 1 . . . . . 115 GLU C . 51172 1 823 . 1 . 1 114 114 GLU CA C 13 56.210 0.3 . 1 . . . . . 115 GLU CA . 51172 1 824 . 1 . 1 114 114 GLU CB C 13 30.373 0.3 . 1 . . . . . 115 GLU CB . 51172 1 825 . 1 . 1 114 114 GLU N N 15 125.751 0.3 . 1 . . . . . 115 GLU N . 51172 1 826 . 1 . 1 115 115 LYS H H 1 8.368 0.020 . 1 . . . . . 116 LYS H . 51172 1 827 . 1 . 1 115 115 LYS HA H 1 4.583 0.020 . 1 . . . . . 116 LYS HA . 51172 1 828 . 1 . 1 115 115 LYS C C 13 174.202 0.3 . 1 . . . . . 116 LYS C . 51172 1 829 . 1 . 1 115 115 LYS CA C 13 54.043 0.3 . 1 . . . . . 116 LYS CA . 51172 1 830 . 1 . 1 115 115 LYS CB C 13 32.459 0.3 . 1 . . . . . 116 LYS CB . 51172 1 831 . 1 . 1 115 115 LYS N N 15 124.018 0.3 . 1 . . . . . 116 LYS N . 51172 1 832 . 1 . 1 116 116 PRO HA H 1 4.440 0.020 . 1 . . . . . 117 PRO HA . 51172 1 833 . 1 . 1 116 116 PRO HB2 H 1 2.240 0.020 . 2 . . . . . 117 PRO HB2 . 51172 1 834 . 1 . 1 116 116 PRO HB3 H 1 1.857 0.020 . 2 . . . . . 117 PRO HB3 . 51172 1 835 . 1 . 1 116 116 PRO C C 13 176.827 0.3 . 1 . . . . . 117 PRO C . 51172 1 836 . 1 . 1 116 116 PRO CA C 13 62.906 0.3 . 1 . . . . . 117 PRO CA . 51172 1 837 . 1 . 1 116 116 PRO CB C 13 31.939 0.3 . 1 . . . . . 117 PRO CB . 51172 1 838 . 1 . 1 117 117 VAL H H 1 8.280 0.020 . 1 . . . . . 118 VAL H . 51172 1 839 . 1 . 1 117 117 VAL HA H 1 4.102 0.020 . 1 . . . . . 118 VAL HA . 51172 1 840 . 1 . 1 117 117 VAL HB H 1 2.032 0.020 . 1 . . . . . 118 VAL HB . 51172 1 841 . 1 . 1 117 117 VAL C C 13 176.068 0.3 . 1 . . . . . 118 VAL C . 51172 1 842 . 1 . 1 117 117 VAL CA C 13 62.148 0.3 . 1 . . . . . 118 VAL CA . 51172 1 843 . 1 . 1 117 117 VAL CB C 13 32.700 0.3 . 1 . . . . . 118 VAL CB . 51172 1 844 . 1 . 1 117 117 VAL N N 15 120.965 0.3 . 1 . . . . . 118 VAL N . 51172 1 845 . 1 . 1 118 118 ALA H H 1 8.443 0.020 . 1 . . . . . 119 ALA H . 51172 1 846 . 1 . 1 118 118 ALA HA H 1 4.319 0.020 . 1 . . . . . 119 ALA HA . 51172 1 847 . 1 . 1 118 118 ALA HB1 H 1 1.377 0.020 . 1 . . . . . 119 ALA HB . 51172 1 848 . 1 . 1 118 118 ALA HB2 H 1 1.377 0.020 . 1 . . . . . 119 ALA HB . 51172 1 849 . 1 . 1 118 118 ALA HB3 H 1 1.377 0.020 . 1 . . . . . 119 ALA HB . 51172 1 850 . 1 . 1 118 118 ALA C C 13 178.040 0.3 . 1 . . . . . 119 ALA C . 51172 1 851 . 1 . 1 118 118 ALA CA C 13 52.533 0.3 . 1 . . . . . 119 ALA CA . 51172 1 852 . 1 . 1 118 118 ALA CB C 13 19.219 0.3 . 1 . . . . . 119 ALA CB . 51172 1 853 . 1 . 1 118 118 ALA N N 15 128.240 0.3 . 1 . . . . . 119 ALA N . 51172 1 854 . 1 . 1 119 119 GLY H H 1 8.391 0.020 . 1 . . . . . 120 GLY H . 51172 1 855 . 1 . 1 119 119 GLY HA2 H 1 4.013 0.020 . 2 . . . . . 120 GLY HA2 . 51172 1 856 . 1 . 1 119 119 GLY HA3 H 1 3.967 0.020 . 2 . . . . . 120 GLY HA3 . 51172 1 857 . 1 . 1 119 119 GLY C C 13 174.308 0.3 . 1 . . . . . 120 GLY C . 51172 1 858 . 1 . 1 119 119 GLY CA C 13 45.137 0.3 . 1 . . . . . 120 GLY CA . 51172 1 859 . 1 . 1 119 119 GLY N N 15 108.502 0.3 . 1 . . . . . 120 GLY N . 51172 1 860 . 1 . 1 120 120 THR H H 1 8.058 0.020 . 1 . . . . . 121 THR H . 51172 1 861 . 1 . 1 120 120 THR HA H 1 4.343 0.020 . 1 . . . . . 121 THR HA . 51172 1 862 . 1 . 1 120 120 THR HB H 1 4.205 0.020 . 1 . . . . . 121 THR HB . 51172 1 863 . 1 . 1 120 120 THR C C 13 174.537 0.3 . 1 . . . . . 121 THR C . 51172 1 864 . 1 . 1 120 120 THR CA C 13 61.853 0.3 . 1 . . . . . 121 THR CA . 51172 1 865 . 1 . 1 120 120 THR CB C 13 69.940 0.3 . 1 . . . . . 121 THR CB . 51172 1 866 . 1 . 1 120 120 THR N N 15 113.757 0.3 . 1 . . . . . 121 THR N . 51172 1 867 . 1 . 1 121 121 LYS H H 1 8.440 0.020 . 1 . . . . . 122 LYS H . 51172 1 868 . 1 . 1 121 121 LYS HA H 1 4.233 0.020 . 1 . . . . . 122 LYS HA . 51172 1 869 . 1 . 1 121 121 LYS HB2 H 1 1.844 0.020 . 2 . . . . . 122 LYS HB2 . 51172 1 870 . 1 . 1 121 121 LYS HB3 H 1 1.793 0.020 . 2 . . . . . 122 LYS HB3 . 51172 1 871 . 1 . 1 121 121 LYS C C 13 176.531 0.3 . 1 . . . . . 122 LYS C . 51172 1 872 . 1 . 1 121 121 LYS CA C 13 56.210 0.3 . 1 . . . . . 122 LYS CA . 51172 1 873 . 1 . 1 121 121 LYS CB C 13 33.021 0.3 . 1 . . . . . 122 LYS CB . 51172 1 874 . 1 . 1 121 121 LYS N N 15 123.973 0.3 . 1 . . . . . 122 LYS N . 51172 1 875 . 1 . 1 122 122 GLY H H 1 8.246 0.020 . 1 . . . . . 123 GLY H . 51172 1 876 . 1 . 1 122 122 GLY HA2 H 1 4.132 0.020 . 2 . . . . . 123 GLY HA2 . 51172 1 877 . 1 . 1 122 122 GLY HA3 H 1 3.994 0.020 . 2 . . . . . 123 GLY HA3 . 51172 1 878 . 1 . 1 122 122 GLY C C 13 171.334 0.3 . 1 . . . . . 123 GLY C . 51172 1 879 . 1 . 1 122 122 GLY CA C 13 44.254 0.3 . 1 . . . . . 123 GLY CA . 51172 1 880 . 1 . 1 122 122 GLY N N 15 110.553 0.3 . 1 . . . . . 123 GLY N . 51172 1 881 . 1 . 1 123 123 PRO HA H 1 4.401 0.020 . 1 . . . . . 124 PRO HA . 51172 1 882 . 1 . 1 123 123 PRO HB2 H 1 2.239 0.020 . 2 . . . . . 124 PRO HB2 . 51172 1 883 . 1 . 1 123 123 PRO HB3 H 1 1.889 0.020 . 2 . . . . . 124 PRO HB3 . 51172 1 884 . 1 . 1 123 123 PRO C C 13 176.524 0.3 . 1 . . . . . 124 PRO C . 51172 1 885 . 1 . 1 123 123 PRO CA C 13 62.789 0.3 . 1 . . . . . 124 PRO CA . 51172 1 886 . 1 . 1 123 123 PRO CB C 13 31.978 0.3 . 1 . . . . . 124 PRO CB . 51172 1 887 . 1 . 1 124 124 ALA H H 1 8.419 0.020 . 1 . . . . . 125 ALA H . 51172 1 888 . 1 . 1 124 124 ALA HA H 1 4.550 0.020 . 1 . . . . . 125 ALA HA . 51172 1 889 . 1 . 1 124 124 ALA C C 13 175.591 0.3 . 1 . . . . . 125 ALA C . 51172 1 890 . 1 . 1 124 124 ALA CA C 13 50.352 0.3 . 1 . . . . . 125 ALA CA . 51172 1 891 . 1 . 1 124 124 ALA CB C 13 18.016 0.3 . 1 . . . . . 125 ALA CB . 51172 1 892 . 1 . 1 124 124 ALA N N 15 125.992 0.3 . 1 . . . . . 125 ALA N . 51172 1 893 . 1 . 1 125 125 PRO HA H 1 4.358 0.020 . 1 . . . . . 126 PRO HA . 51172 1 894 . 1 . 1 125 125 PRO HB2 H 1 2.265 0.020 . 2 . . . . . 126 PRO HB2 . 51172 1 895 . 1 . 1 125 125 PRO HB3 H 1 1.881 0.020 . 2 . . . . . 126 PRO HB3 . 51172 1 896 . 1 . 1 125 125 PRO C C 13 176.404 0.3 . 1 . . . . . 126 PRO C . 51172 1 897 . 1 . 1 125 125 PRO CA C 13 63.504 0.3 . 1 . . . . . 126 PRO CA . 51172 1 898 . 1 . 1 125 125 PRO CB C 13 31.902 0.3 . 1 . . . . . 126 PRO CB . 51172 1 899 . 1 . 1 126 126 ASN H H 1 8.465 0.020 . 1 . . . . . 127 ASN H . 51172 1 900 . 1 . 1 126 126 ASN HA H 1 4.929 0.020 . 1 . . . . . 127 ASN HA . 51172 1 901 . 1 . 1 126 126 ASN C C 13 177.188 0.3 . 1 . . . . . 127 ASN C . 51172 1 902 . 1 . 1 126 126 ASN CA C 13 51.322 0.3 . 1 . . . . . 127 ASN CA . 51172 1 903 . 1 . 1 126 126 ASN CB C 13 38.477 0.3 . 1 . . . . . 127 ASN CB . 51172 1 904 . 1 . 1 126 126 ASN N N 15 119.645 0.3 . 1 . . . . . 127 ASN N . 51172 1 905 . 1 . 1 129 129 PRO HA H 1 4.437 0.020 . 1 . . . . . 130 PRO HA . 51172 1 906 . 1 . 1 129 129 PRO HB2 H 1 2.246 0.020 . 2 . . . . . 130 PRO HB2 . 51172 1 907 . 1 . 1 129 129 PRO HB3 H 1 1.838 0.020 . 2 . . . . . 130 PRO HB3 . 51172 1 908 . 1 . 1 129 129 PRO C C 13 176.613 0.3 . 1 . . . . . 130 PRO C . 51172 1 909 . 1 . 1 129 129 PRO CA C 13 62.658 0.3 . 1 . . . . . 130 PRO CA . 51172 1 910 . 1 . 1 129 129 PRO CB C 13 31.920 0.3 . 1 . . . . . 130 PRO CB . 51172 1 911 . 1 . 1 130 130 VAL H H 1 8.168 0.020 . 1 . . . . . 131 VAL H . 51172 1 912 . 1 . 1 130 130 VAL HA H 1 4.121 0.020 . 1 . . . . . 131 VAL HA . 51172 1 913 . 1 . 1 130 130 VAL HB H 1 1.981 0.020 . 1 . . . . . 131 VAL HB . 51172 1 914 . 1 . 1 130 130 VAL C C 13 175.926 0.3 . 1 . . . . . 131 VAL C . 51172 1 915 . 1 . 1 130 130 VAL CA C 13 62.228 0.3 . 1 . . . . . 131 VAL CA . 51172 1 916 . 1 . 1 130 130 VAL CB C 13 32.539 0.3 . 1 . . . . . 131 VAL CB . 51172 1 917 . 1 . 1 130 130 VAL N N 15 120.688 0.3 . 1 . . . . . 131 VAL N . 51172 1 918 . 1 . 1 131 131 LEU H H 1 8.311 0.020 . 1 . . . . . 132 LEU H . 51172 1 919 . 1 . 1 131 131 LEU HA H 1 4.380 0.020 . 1 . . . . . 132 LEU HA . 51172 1 920 . 1 . 1 131 131 LEU HB2 H 1 1.584 0.020 . 2 . . . . . 132 LEU HB2 . 51172 1 921 . 1 . 1 131 131 LEU HB3 H 1 1.538 0.020 . 2 . . . . . 132 LEU HB3 . 51172 1 922 . 1 . 1 131 131 LEU C C 13 176.546 0.3 . 1 . . . . . 132 LEU C . 51172 1 923 . 1 . 1 131 131 LEU CA C 13 54.766 0.3 . 1 . . . . . 132 LEU CA . 51172 1 924 . 1 . 1 131 131 LEU CB C 13 42.489 0.3 . 1 . . . . . 132 LEU CB . 51172 1 925 . 1 . 1 131 131 LEU N N 15 127.064 0.3 . 1 . . . . . 132 LEU N . 51172 1 926 . 1 . 1 132 132 LYS H H 1 8.317 0.020 . 1 . . . . . 133 LYS H . 51172 1 927 . 1 . 1 132 132 LYS HA H 1 4.253 0.020 . 1 . . . . . 133 LYS HA . 51172 1 928 . 1 . 1 132 132 LYS HB2 H 1 1.791 0.020 . 2 . . . . . 133 LYS HB2 . 51172 1 929 . 1 . 1 132 132 LYS HB3 H 1 1.728 0.020 . 2 . . . . . 133 LYS HB3 . 51172 1 930 . 1 . 1 132 132 LYS C C 13 175.247 0.3 . 1 . . . . . 133 LYS C . 51172 1 931 . 1 . 1 132 132 LYS CA C 13 56.130 0.3 . 1 . . . . . 133 LYS CA . 51172 1 932 . 1 . 1 132 132 LYS CB C 13 32.860 0.3 . 1 . . . . . 133 LYS CB . 51172 1 933 . 1 . 1 132 132 LYS N N 15 124.330 0.3 . 1 . . . . . 133 LYS N . 51172 1 934 . 1 . 1 133 133 VAL H H 1 7.754 0.020 . 1 . . . . . 134 VAL H . 51172 1 935 . 1 . 1 133 133 VAL HA H 1 4.032 0.020 . 1 . . . . . 134 VAL HA . 51172 1 936 . 1 . 1 133 133 VAL C C 13 180.900 0.3 . 1 . . . . . 134 VAL C . 51172 1 937 . 1 . 1 133 133 VAL CA C 13 63.514 0.3 . 1 . . . . . 134 VAL CA . 51172 1 938 . 1 . 1 133 133 VAL CB C 13 33.021 0.3 . 1 . . . . . 134 VAL CB . 51172 1 939 . 1 . 1 133 133 VAL N N 15 126.381 0.3 . 1 . . . . . 134 VAL N . 51172 1 stop_ save_