data_51147 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51147 _Entry.Title ; Backbone NMR assignments of the human TRPV4 intrinsically disordered N-terminus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-10-19 _Entry.Accession_date 2021-10-19 _Entry.Last_release_date 2021-10-19 _Entry.Original_release_date 2021-10-19 _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 human transient receptor potential vanilloid 4 (TRPV4) ion channel (residues 2-148). ; _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 51147 2 Frederike Tebbe . . . . 51147 3 Ute Hellmich . A. . 0000-0001-7162-285X 51147 4 Sarah-Ana Mitrovic . . . . 51147 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' . 51147 2 . 'Center for Biomolecular Magnetic Resonance' . 51147 3 . 'Friedrich-Schiller-Universitat Jena' . 51147 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51147 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 419 51147 '15N chemical shifts' 124 51147 '1H chemical shifts' 467 51147 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 2021-10-19 update BMRB 'update entry citation' 51147 1 . . 2022-05-05 2021-10-19 original author 'original release' 51147 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51172 'Intrinsically disordered N-terminus from chicken TRPV4' 51147 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51147 _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 . . . . 51147 1 2 Frederike Tebbe . . . . 51147 1 3 Sarah-Ana Mitrovic . . . . 51147 1 4 Ute Hellmich . A. . . 51147 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'TRP channels' 51147 1 TRPV4 51147 1 'intrinsically disordered protein' 51147 1 'intrinsically disordered region' 51147 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51147 _Assembly.ID 1 _Assembly.Name TRPV4-IDR _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 TRPV4-IDR 1 $entity_1 . . yes native yes no . . . 51147 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 . . 51147 1 yes PDB 6F55 . . 'solution NMR' . . . 51147 1 yes PDB 7AA4 . . cryo-EM 4.18 . . 51147 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51147 _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 ; ADSSEGPRAGPGEVAELPGD ESGTPGGEAFPLSSLANLFE GEDGSLSPSPADASRPAGPG DGRPNLRMKFQGAFRKGVPN PIDLLESTLYESSVVPGPKK APMDSLFDYGTYRHHSSDNK RWRKKIIEKQPQSPKAPAPQ PPPILKV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Residues 2-148 of the human TRPV4 channel (UniProtKB - Q9HBA0)' _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 147 _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 . _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 Q9HBA0 . TRPV4_HUMAN . . . . . . . . . . . . . . 51147 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.' 51147 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 . 51147 1 2 3 ASP . 51147 1 3 4 SER . 51147 1 4 5 SER . 51147 1 5 6 GLU . 51147 1 6 7 GLY . 51147 1 7 8 PRO . 51147 1 8 9 ARG . 51147 1 9 10 ALA . 51147 1 10 11 GLY . 51147 1 11 12 PRO . 51147 1 12 13 GLY . 51147 1 13 14 GLU . 51147 1 14 15 VAL . 51147 1 15 16 ALA . 51147 1 16 17 GLU . 51147 1 17 18 LEU . 51147 1 18 19 PRO . 51147 1 19 20 GLY . 51147 1 20 21 ASP . 51147 1 21 22 GLU . 51147 1 22 23 SER . 51147 1 23 24 GLY . 51147 1 24 25 THR . 51147 1 25 26 PRO . 51147 1 26 27 GLY . 51147 1 27 28 GLY . 51147 1 28 29 GLU . 51147 1 29 30 ALA . 51147 1 30 31 PHE . 51147 1 31 32 PRO . 51147 1 32 33 LEU . 51147 1 33 34 SER . 51147 1 34 35 SER . 51147 1 35 36 LEU . 51147 1 36 37 ALA . 51147 1 37 38 ASN . 51147 1 38 39 LEU . 51147 1 39 40 PHE . 51147 1 40 41 GLU . 51147 1 41 42 GLY . 51147 1 42 43 GLU . 51147 1 43 44 ASP . 51147 1 44 45 GLY . 51147 1 45 46 SER . 51147 1 46 47 LEU . 51147 1 47 48 SER . 51147 1 48 49 PRO . 51147 1 49 50 SER . 51147 1 50 51 PRO . 51147 1 51 52 ALA . 51147 1 52 53 ASP . 51147 1 53 54 ALA . 51147 1 54 55 SER . 51147 1 55 56 ARG . 51147 1 56 57 PRO . 51147 1 57 58 ALA . 51147 1 58 59 GLY . 51147 1 59 60 PRO . 51147 1 60 61 GLY . 51147 1 61 62 ASP . 51147 1 62 63 GLY . 51147 1 63 64 ARG . 51147 1 64 65 PRO . 51147 1 65 66 ASN . 51147 1 66 67 LEU . 51147 1 67 68 ARG . 51147 1 68 69 MET . 51147 1 69 70 LYS . 51147 1 70 71 PHE . 51147 1 71 72 GLN . 51147 1 72 73 GLY . 51147 1 73 74 ALA . 51147 1 74 75 PHE . 51147 1 75 76 ARG . 51147 1 76 77 LYS . 51147 1 77 78 GLY . 51147 1 78 79 VAL . 51147 1 79 80 PRO . 51147 1 80 81 ASN . 51147 1 81 82 PRO . 51147 1 82 83 ILE . 51147 1 83 84 ASP . 51147 1 84 85 LEU . 51147 1 85 86 LEU . 51147 1 86 87 GLU . 51147 1 87 88 SER . 51147 1 88 89 THR . 51147 1 89 90 LEU . 51147 1 90 91 TYR . 51147 1 91 92 GLU . 51147 1 92 93 SER . 51147 1 93 94 SER . 51147 1 94 95 VAL . 51147 1 95 96 VAL . 51147 1 96 97 PRO . 51147 1 97 98 GLY . 51147 1 98 99 PRO . 51147 1 99 100 LYS . 51147 1 100 101 LYS . 51147 1 101 102 ALA . 51147 1 102 103 PRO . 51147 1 103 104 MET . 51147 1 104 105 ASP . 51147 1 105 106 SER . 51147 1 106 107 LEU . 51147 1 107 108 PHE . 51147 1 108 109 ASP . 51147 1 109 110 TYR . 51147 1 110 111 GLY . 51147 1 111 112 THR . 51147 1 112 113 TYR . 51147 1 113 114 ARG . 51147 1 114 115 HIS . 51147 1 115 116 HIS . 51147 1 116 117 SER . 51147 1 117 118 SER . 51147 1 118 119 ASP . 51147 1 119 120 ASN . 51147 1 120 121 LYS . 51147 1 121 122 ARG . 51147 1 122 123 TRP . 51147 1 123 124 ARG . 51147 1 124 125 LYS . 51147 1 125 126 LYS . 51147 1 126 127 ILE . 51147 1 127 128 ILE . 51147 1 128 129 GLU . 51147 1 129 130 LYS . 51147 1 130 131 GLN . 51147 1 131 132 PRO . 51147 1 132 133 GLN . 51147 1 133 134 SER . 51147 1 134 135 PRO . 51147 1 135 136 LYS . 51147 1 136 137 ALA . 51147 1 137 138 PRO . 51147 1 138 139 ALA . 51147 1 139 140 PRO . 51147 1 140 141 GLN . 51147 1 141 142 PRO . 51147 1 142 143 PRO . 51147 1 143 144 PRO . 51147 1 144 145 ILE . 51147 1 145 146 LEU . 51147 1 146 147 LYS . 51147 1 147 148 VAL . 51147 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 51147 1 . ASP 2 2 51147 1 . SER 3 3 51147 1 . SER 4 4 51147 1 . GLU 5 5 51147 1 . GLY 6 6 51147 1 . PRO 7 7 51147 1 . ARG 8 8 51147 1 . ALA 9 9 51147 1 . GLY 10 10 51147 1 . PRO 11 11 51147 1 . GLY 12 12 51147 1 . GLU 13 13 51147 1 . VAL 14 14 51147 1 . ALA 15 15 51147 1 . GLU 16 16 51147 1 . LEU 17 17 51147 1 . PRO 18 18 51147 1 . GLY 19 19 51147 1 . ASP 20 20 51147 1 . GLU 21 21 51147 1 . SER 22 22 51147 1 . GLY 23 23 51147 1 . THR 24 24 51147 1 . PRO 25 25 51147 1 . GLY 26 26 51147 1 . GLY 27 27 51147 1 . GLU 28 28 51147 1 . ALA 29 29 51147 1 . PHE 30 30 51147 1 . PRO 31 31 51147 1 . LEU 32 32 51147 1 . SER 33 33 51147 1 . SER 34 34 51147 1 . LEU 35 35 51147 1 . ALA 36 36 51147 1 . ASN 37 37 51147 1 . LEU 38 38 51147 1 . PHE 39 39 51147 1 . GLU 40 40 51147 1 . GLY 41 41 51147 1 . GLU 42 42 51147 1 . ASP 43 43 51147 1 . GLY 44 44 51147 1 . SER 45 45 51147 1 . LEU 46 46 51147 1 . SER 47 47 51147 1 . PRO 48 48 51147 1 . SER 49 49 51147 1 . PRO 50 50 51147 1 . ALA 51 51 51147 1 . ASP 52 52 51147 1 . ALA 53 53 51147 1 . SER 54 54 51147 1 . ARG 55 55 51147 1 . PRO 56 56 51147 1 . ALA 57 57 51147 1 . GLY 58 58 51147 1 . PRO 59 59 51147 1 . GLY 60 60 51147 1 . ASP 61 61 51147 1 . GLY 62 62 51147 1 . ARG 63 63 51147 1 . PRO 64 64 51147 1 . ASN 65 65 51147 1 . LEU 66 66 51147 1 . ARG 67 67 51147 1 . MET 68 68 51147 1 . LYS 69 69 51147 1 . PHE 70 70 51147 1 . GLN 71 71 51147 1 . GLY 72 72 51147 1 . ALA 73 73 51147 1 . PHE 74 74 51147 1 . ARG 75 75 51147 1 . LYS 76 76 51147 1 . GLY 77 77 51147 1 . VAL 78 78 51147 1 . PRO 79 79 51147 1 . ASN 80 80 51147 1 . PRO 81 81 51147 1 . ILE 82 82 51147 1 . ASP 83 83 51147 1 . LEU 84 84 51147 1 . LEU 85 85 51147 1 . GLU 86 86 51147 1 . SER 87 87 51147 1 . THR 88 88 51147 1 . LEU 89 89 51147 1 . TYR 90 90 51147 1 . GLU 91 91 51147 1 . SER 92 92 51147 1 . SER 93 93 51147 1 . VAL 94 94 51147 1 . VAL 95 95 51147 1 . PRO 96 96 51147 1 . GLY 97 97 51147 1 . PRO 98 98 51147 1 . LYS 99 99 51147 1 . LYS 100 100 51147 1 . ALA 101 101 51147 1 . PRO 102 102 51147 1 . MET 103 103 51147 1 . ASP 104 104 51147 1 . SER 105 105 51147 1 . LEU 106 106 51147 1 . PHE 107 107 51147 1 . ASP 108 108 51147 1 . TYR 109 109 51147 1 . GLY 110 110 51147 1 . THR 111 111 51147 1 . TYR 112 112 51147 1 . ARG 113 113 51147 1 . HIS 114 114 51147 1 . HIS 115 115 51147 1 . SER 116 116 51147 1 . SER 117 117 51147 1 . ASP 118 118 51147 1 . ASN 119 119 51147 1 . LYS 120 120 51147 1 . ARG 121 121 51147 1 . TRP 122 122 51147 1 . ARG 123 123 51147 1 . LYS 124 124 51147 1 . LYS 125 125 51147 1 . ILE 126 126 51147 1 . ILE 127 127 51147 1 . GLU 128 128 51147 1 . LYS 129 129 51147 1 . GLN 130 130 51147 1 . PRO 131 131 51147 1 . GLN 132 132 51147 1 . SER 133 133 51147 1 . PRO 134 134 51147 1 . LYS 135 135 51147 1 . ALA 136 136 51147 1 . PRO 137 137 51147 1 . ALA 138 138 51147 1 . PRO 139 139 51147 1 . GLN 140 140 51147 1 . PRO 141 141 51147 1 . PRO 142 142 51147 1 . PRO 143 143 51147 1 . ILE 144 144 51147 1 . LEU 145 145 51147 1 . LYS 146 146 51147 1 . VAL 147 147 51147 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 51147 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . trpv4 . 51147 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 51147 _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 'D3 Gold' . plasmid . . pET11a . . 'Expression with N-terminal His6SUMO-tag, cleaved with Ulp1 during purification' 51147 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51147 _Sample.ID 1 _Sample.Name hsV4-IDR _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-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 200 150 250 uM . . . . 51147 1 2 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 51147 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51147 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51147 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51147 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 51147 _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 51147 1 pH 4.5 . pH 51147 1 pressure 1 . atm 51147 1 temperature 298 . K 51147 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51147 _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' . 51147 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51147 _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 . 51147 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 51147 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Avance 700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 51147 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Avance 900' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 51147 _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_2 . . . . . . . . . . . . . . . . . 51147 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51147 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51147 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51147 1 5 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 51147 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 51147 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 51147 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ggV4-IDR _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 51147 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51147 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 51147 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 51147 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name ggV4-IDR _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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' . . . 51147 1 2 '3D HNCA' . . . 51147 1 3 '3D HNCACB' . . . 51147 1 4 '3D HNCO' . . . 51147 1 5 '3D HNCACO' . . . 51147 1 6 '3D HBHA(CO)NH' . . . 51147 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 . . 51147 1 2 $software_2 . . 51147 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 4.124 0.020 . 1 . . . . . 1 ALA HA . 51147 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.522 0.020 . 1 . . . . . 1 ALA HB . 51147 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.522 0.020 . 1 . . . . . 1 ALA HB . 51147 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.522 0.020 . 1 . . . . . 1 ALA HB . 51147 1 5 . 1 . 1 1 1 ALA C C 13 173.596 0.3 . 1 . . . . . 1 ALA C . 51147 1 6 . 1 . 1 1 1 ALA CA C 13 51.793 0.3 . 1 . . . . . 1 ALA CA . 51147 1 7 . 1 . 1 1 1 ALA CB C 13 19.294 0.3 . 1 . . . . . 1 ALA CB . 51147 1 8 . 1 . 1 2 2 ASP H H 1 8.723 0.020 . 1 . . . . . 2 ASP H . 51147 1 9 . 1 . 1 2 2 ASP HA H 1 4.599 0.020 . 1 . . . . . 2 ASP HA . 51147 1 10 . 1 . 1 2 2 ASP HB2 H 1 2.783 0.020 . 2 . . . . . 2 ASP HB2 . 51147 1 11 . 1 . 1 2 2 ASP HB3 H 1 2.656 0.020 . 2 . . . . . 2 ASP HB3 . 51147 1 12 . 1 . 1 2 2 ASP C C 13 176.221 0.3 . 1 . . . . . 2 ASP C . 51147 1 13 . 1 . 1 2 2 ASP CA C 13 54.339 0.3 . 1 . . . . . 2 ASP CA . 51147 1 14 . 1 . 1 2 2 ASP CB C 13 41.295 0.3 . 1 . . . . . 2 ASP CB . 51147 1 15 . 1 . 1 2 2 ASP N N 15 120.699 0.3 . 1 . . . . . 2 ASP N . 51147 1 16 . 1 . 1 3 3 SER H H 1 8.499 0.020 . 1 . . . . . 3 SER H . 51147 1 17 . 1 . 1 3 3 SER HA H 1 4.436 0.020 . 1 . . . . . 3 SER HA . 51147 1 18 . 1 . 1 3 3 SER HB2 H 1 3.882 0.020 . 2 . . . . . 3 SER HB2 . 51147 1 19 . 1 . 1 3 3 SER HB3 H 1 3.870 0.020 . 2 . . . . . 3 SER HB3 . 51147 1 20 . 1 . 1 3 3 SER C C 13 174.856 0.3 . 1 . . . . . 3 SER C . 51147 1 21 . 1 . 1 3 3 SER CA C 13 58.451 0.3 . 1 . . . . . 3 SER CA . 51147 1 22 . 1 . 1 3 3 SER CB C 13 63.670 0.3 . 1 . . . . . 3 SER CB . 51147 1 23 . 1 . 1 3 3 SER N N 15 116.738 0.3 . 1 . . . . . 3 SER N . 51147 1 24 . 1 . 1 4 4 SER H H 1 8.496 0.020 . 1 . . . . . 4 SER H . 51147 1 25 . 1 . 1 4 4 SER HA H 1 4.400 0.020 . 1 . . . . . 4 SER HA . 51147 1 26 . 1 . 1 4 4 SER HB2 H 1 3.859 0.020 . 2 . . . . . 4 SER HB2 . 51147 1 27 . 1 . 1 4 4 SER HB3 H 1 3.887 0.020 . 2 . . . . . 4 SER HB3 . 51147 1 28 . 1 . 1 4 4 SER C C 13 174.526 0.3 . 1 . . . . . 4 SER C . 51147 1 29 . 1 . 1 4 4 SER CA C 13 58.839 0.3 . 1 . . . . . 4 SER CA . 51147 1 30 . 1 . 1 4 4 SER CB C 13 63.716 0.3 . 1 . . . . . 4 SER CB . 51147 1 31 . 1 . 1 4 4 SER N N 15 118.019 0.3 . 1 . . . . . 4 SER N . 51147 1 32 . 1 . 1 5 5 GLU H H 1 8.297 0.020 . 1 . . . . . 5 GLU H . 51147 1 33 . 1 . 1 5 5 GLU HA H 1 4.316 0.020 . 1 . . . . . 5 GLU HA . 51147 1 34 . 1 . 1 5 5 GLU HB2 H 1 2.055 0.020 . 2 . . . . . 5 GLU HB2 . 51147 1 35 . 1 . 1 5 5 GLU HB3 H 1 1.956 0.020 . 2 . . . . . 5 GLU HB3 . 51147 1 36 . 1 . 1 5 5 GLU C C 13 176.445 0.3 . 1 . . . . . 5 GLU C . 51147 1 37 . 1 . 1 5 5 GLU CA C 13 56.282 0.3 . 1 . . . . . 5 GLU CA . 51147 1 38 . 1 . 1 5 5 GLU CB C 13 30.172 0.3 . 1 . . . . . 5 GLU CB . 51147 1 39 . 1 . 1 5 5 GLU N N 15 121.992 0.3 . 1 . . . . . 5 GLU N . 51147 1 40 . 1 . 1 6 6 GLY H H 1 8.190 0.020 . 1 . . . . . 6 GLY H . 51147 1 41 . 1 . 1 6 6 GLY HA2 H 1 4.123 0.020 . 2 . . . . . 6 GLY HA2 . 51147 1 42 . 1 . 1 6 6 GLY HA3 H 1 4.065 0.020 . 2 . . . . . 6 GLY HA3 . 51147 1 43 . 1 . 1 6 6 GLY C C 13 171.620 0.3 . 1 . . . . . 6 GLY C . 51147 1 44 . 1 . 1 6 6 GLY CA C 13 44.595 0.3 . 1 . . . . . 6 GLY CA . 51147 1 45 . 1 . 1 6 6 GLY N N 15 109.758 0.3 . 1 . . . . . 6 GLY N . 51147 1 46 . 1 . 1 7 7 PRO HA H 1 4.418 0.020 . 1 . . . . . 7 PRO HA . 51147 1 47 . 1 . 1 7 7 PRO HB2 H 1 2.276 0.020 . 2 . . . . . 7 PRO HB2 . 51147 1 48 . 1 . 1 7 7 PRO HB3 H 1 1.909 0.020 . 2 . . . . . 7 PRO HB3 . 51147 1 49 . 1 . 1 7 7 PRO C C 13 177.183 0.3 . 1 . . . . . 7 PRO C . 51147 1 50 . 1 . 1 7 7 PRO CA C 13 63.159 0.3 . 1 . . . . . 7 PRO CA . 51147 1 51 . 1 . 1 7 7 PRO CB C 13 32.125 0.3 . 1 . . . . . 7 PRO CB . 51147 1 52 . 1 . 1 8 8 ARG H H 1 8.444 0.020 . 1 . . . . . 8 ARG H . 51147 1 53 . 1 . 1 8 8 ARG HA H 1 4.281 0.020 . 1 . . . . . 8 ARG HA . 51147 1 54 . 1 . 1 8 8 ARG HB2 H 1 1.861 0.020 . 2 . . . . . 8 ARG HB2 . 51147 1 55 . 1 . 1 8 8 ARG HB3 H 1 1.761 0.020 . 2 . . . . . 8 ARG HB3 . 51147 1 56 . 1 . 1 8 8 ARG C C 13 175.941 0.3 . 1 . . . . . 8 ARG C . 51147 1 57 . 1 . 1 8 8 ARG CA C 13 55.760 0.3 . 1 . . . . . 8 ARG CA . 51147 1 58 . 1 . 1 8 8 ARG CB C 13 30.888 0.3 . 1 . . . . . 8 ARG CB . 51147 1 59 . 1 . 1 8 8 ARG N N 15 121.486 0.3 . 1 . . . . . 8 ARG N . 51147 1 60 . 1 . 1 9 9 ALA H H 1 8.310 0.020 . 1 . . . . . 9 ALA H . 51147 1 61 . 1 . 1 9 9 ALA HA H 1 4.375 0.020 . 1 . . . . . 9 ALA HA . 51147 1 62 . 1 . 1 9 9 ALA HB1 H 1 1.384 0.020 . 1 . . . . . 9 ALA HB . 51147 1 63 . 1 . 1 9 9 ALA HB2 H 1 1.384 0.020 . 1 . . . . . 9 ALA HB . 51147 1 64 . 1 . 1 9 9 ALA HB3 H 1 1.384 0.020 . 1 . . . . . 9 ALA HB . 51147 1 65 . 1 . 1 9 9 ALA C C 13 177.694 0.3 . 1 . . . . . 9 ALA C . 51147 1 66 . 1 . 1 9 9 ALA CA C 13 52.245 0.3 . 1 . . . . . 9 ALA CA . 51147 1 67 . 1 . 1 9 9 ALA CB C 13 19.647 0.3 . 1 . . . . . 9 ALA CB . 51147 1 68 . 1 . 1 9 9 ALA N N 15 125.366 0.3 . 1 . . . . . 9 ALA N . 51147 1 69 . 1 . 1 10 10 GLY H H 1 8.245 0.020 . 1 . . . . . 10 GLY H . 51147 1 70 . 1 . 1 10 10 GLY HA2 H 1 4.167 0.020 . 2 . . . . . 10 GLY HA2 . 51147 1 71 . 1 . 1 10 10 GLY HA3 H 1 4.018 0.020 . 2 . . . . . 10 GLY HA3 . 51147 1 72 . 1 . 1 10 10 GLY C C 13 171.935 0.3 . 1 . . . . . 10 GLY C . 51147 1 73 . 1 . 1 10 10 GLY CA C 13 44.522 0.3 . 1 . . . . . 10 GLY CA . 51147 1 74 . 1 . 1 10 10 GLY N N 15 108.633 0.3 . 1 . . . . . 10 GLY N . 51147 1 75 . 1 . 1 11 11 PRO HA H 1 4.428 0.020 . 1 . . . . . 11 PRO HA . 51147 1 76 . 1 . 1 11 11 PRO HB2 H 1 2.277 0.020 . 2 . . . . . 11 PRO HB2 . 51147 1 77 . 1 . 1 11 11 PRO HB3 H 1 1.981 0.020 . 2 . . . . . 11 PRO HB3 . 51147 1 78 . 1 . 1 11 11 PRO C C 13 177.867 0.3 . 1 . . . . . 11 PRO C . 51147 1 79 . 1 . 1 11 11 PRO CA C 13 63.578 0.3 . 1 . . . . . 11 PRO CA . 51147 1 80 . 1 . 1 11 11 PRO CB C 13 32.011 0.3 . 1 . . . . . 11 PRO CB . 51147 1 81 . 1 . 1 12 12 GLY H H 1 8.530 0.020 . 1 . . . . . 12 GLY H . 51147 1 82 . 1 . 1 12 12 GLY HA2 H 1 3.973 0.020 . 2 . . . . . 12 GLY HA2 . 51147 1 83 . 1 . 1 12 12 GLY HA3 H 1 3.958 0.020 . 2 . . . . . 12 GLY HA3 . 51147 1 84 . 1 . 1 12 12 GLY C C 13 174.037 0.3 . 1 . . . . . 12 GLY C . 51147 1 85 . 1 . 1 12 12 GLY CA C 13 45.243 0.3 . 1 . . . . . 12 GLY CA . 51147 1 86 . 1 . 1 12 12 GLY N N 15 109.379 0.3 . 1 . . . . . 12 GLY N . 51147 1 87 . 1 . 1 13 13 GLU H H 1 8.097 0.020 . 1 . . . . . 13 GLU H . 51147 1 88 . 1 . 1 13 13 GLU HA H 1 4.281 0.020 . 1 . . . . . 13 GLU HA . 51147 1 89 . 1 . 1 13 13 GLU HB2 H 1 1.995 0.020 . 2 . . . . . 13 GLU HB2 . 51147 1 90 . 1 . 1 13 13 GLU HB3 H 1 1.936 0.020 . 2 . . . . . 13 GLU HB3 . 51147 1 91 . 1 . 1 13 13 GLU C C 13 176.318 0.3 . 1 . . . . . 13 GLU C . 51147 1 92 . 1 . 1 13 13 GLU CA C 13 56.184 0.3 . 1 . . . . . 13 GLU CA . 51147 1 93 . 1 . 1 13 13 GLU CB C 13 30.043 0.3 . 1 . . . . . 13 GLU CB . 51147 1 94 . 1 . 1 13 13 GLU N N 15 120.173 0.3 . 1 . . . . . 13 GLU N . 51147 1 95 . 1 . 1 14 14 VAL H H 1 8.156 0.020 . 1 . . . . . 14 VAL H . 51147 1 96 . 1 . 1 14 14 VAL HA H 1 4.116 0.020 . 1 . . . . . 14 VAL HA . 51147 1 97 . 1 . 1 14 14 VAL HB H 1 2.049 0.020 . 1 . . . . . 14 VAL HB . 51147 1 98 . 1 . 1 14 14 VAL C C 13 175.656 0.3 . 1 . . . . . 14 VAL C . 51147 1 99 . 1 . 1 14 14 VAL CA C 13 62.106 0.3 . 1 . . . . . 14 VAL CA . 51147 1 100 . 1 . 1 14 14 VAL CB C 13 32.930 0.3 . 1 . . . . . 14 VAL CB . 51147 1 101 . 1 . 1 14 14 VAL N N 15 121.005 0.3 . 1 . . . . . 14 VAL N . 51147 1 102 . 1 . 1 15 15 ALA H H 1 8.345 0.020 . 1 . . . . . 15 ALA H . 51147 1 103 . 1 . 1 15 15 ALA HA H 1 4.327 0.020 . 1 . . . . . 15 ALA HA . 51147 1 104 . 1 . 1 15 15 ALA HB1 H 1 1.360 0.020 . 1 . . . . . 15 ALA HB . 51147 1 105 . 1 . 1 15 15 ALA HB2 H 1 1.360 0.020 . 1 . . . . . 15 ALA HB . 51147 1 106 . 1 . 1 15 15 ALA HB3 H 1 1.360 0.020 . 1 . . . . . 15 ALA HB . 51147 1 107 . 1 . 1 15 15 ALA C C 13 177.276 0.3 . 1 . . . . . 15 ALA C . 51147 1 108 . 1 . 1 15 15 ALA CA C 13 52.287 0.3 . 1 . . . . . 15 ALA CA . 51147 1 109 . 1 . 1 15 15 ALA CB C 13 19.413 0.3 . 1 . . . . . 15 ALA CB . 51147 1 110 . 1 . 1 15 15 ALA N N 15 127.820 0.3 . 1 . . . . . 15 ALA N . 51147 1 111 . 1 . 1 16 16 GLU H H 1 8.269 0.020 . 1 . . . . . 16 GLU H . 51147 1 112 . 1 . 1 16 16 GLU HA H 1 4.184 0.020 . 1 . . . . . 16 GLU HA . 51147 1 113 . 1 . 1 16 16 GLU HB2 H 1 1.961 0.020 . 2 . . . . . 16 GLU HB2 . 51147 1 114 . 1 . 1 16 16 GLU HB3 H 1 1.929 0.020 . 2 . . . . . 16 GLU HB3 . 51147 1 115 . 1 . 1 16 16 GLU C C 13 175.890 0.3 . 1 . . . . . 16 GLU C . 51147 1 116 . 1 . 1 16 16 GLU CA C 13 55.849 0.3 . 1 . . . . . 16 GLU CA . 51147 1 117 . 1 . 1 16 16 GLU CB C 13 29.984 0.3 . 1 . . . . . 16 GLU CB . 51147 1 118 . 1 . 1 16 16 GLU N N 15 120.170 0.3 . 1 . . . . . 16 GLU N . 51147 1 119 . 1 . 1 17 17 LEU H H 1 8.371 0.020 . 1 . . . . . 17 LEU H . 51147 1 120 . 1 . 1 17 17 LEU C C 13 175.294 0.3 . 1 . . . . . 17 LEU C . 51147 1 121 . 1 . 1 17 17 LEU CA C 13 52.901 0.3 . 1 . . . . . 17 LEU CA . 51147 1 122 . 1 . 1 17 17 LEU CB C 13 41.718 0.3 . 1 . . . . . 17 LEU CB . 51147 1 123 . 1 . 1 17 17 LEU N N 15 125.015 0.3 . 1 . . . . . 17 LEU N . 51147 1 124 . 1 . 1 18 18 PRO HA H 1 4.417 0.020 . 1 . . . . . 18 PRO HA . 51147 1 125 . 1 . 1 18 18 PRO HB2 H 1 2.306 0.020 . 2 . . . . . 18 PRO HB2 . 51147 1 126 . 1 . 1 18 18 PRO HB3 H 1 1.956 0.020 . 2 . . . . . 18 PRO HB3 . 51147 1 127 . 1 . 1 18 18 PRO C C 13 177.646 0.3 . 1 . . . . . 18 PRO C . 51147 1 128 . 1 . 1 18 18 PRO CA C 13 63.414 0.3 . 1 . . . . . 18 PRO CA . 51147 1 129 . 1 . 1 18 18 PRO CB C 13 32.057 0.3 . 1 . . . . . 18 PRO CB . 51147 1 130 . 1 . 1 19 19 GLY H H 1 8.444 0.020 . 1 . . . . . 19 GLY H . 51147 1 131 . 1 . 1 19 19 GLY HA2 H 1 3.976 0.020 . 2 . . . . . 19 GLY HA2 . 51147 1 132 . 1 . 1 19 19 GLY HA3 H 1 3.943 0.020 . 2 . . . . . 19 GLY HA3 . 51147 1 133 . 1 . 1 19 19 GLY C C 13 174.072 0.3 . 1 . . . . . 19 GLY C . 51147 1 134 . 1 . 1 19 19 GLY CA C 13 45.263 0.3 . 1 . . . . . 19 GLY CA . 51147 1 135 . 1 . 1 19 19 GLY N N 15 109.196 0.3 . 1 . . . . . 19 GLY N . 51147 1 136 . 1 . 1 20 20 ASP H H 1 8.213 0.020 . 1 . . . . . 20 ASP H . 51147 1 137 . 1 . 1 20 20 ASP HA H 1 4.620 0.020 . 1 . . . . . 20 ASP HA . 51147 1 138 . 1 . 1 20 20 ASP HB2 H 1 2.681 0.020 . 2 . . . . . 20 ASP HB2 . 51147 1 139 . 1 . 1 20 20 ASP HB3 H 1 2.662 0.020 . 2 . . . . . 20 ASP HB3 . 51147 1 140 . 1 . 1 20 20 ASP C C 13 176.520 0.3 . 1 . . . . . 20 ASP C . 51147 1 141 . 1 . 1 20 20 ASP CA C 13 54.156 0.3 . 1 . . . . . 20 ASP CA . 51147 1 142 . 1 . 1 20 20 ASP CB C 13 40.859 0.3 . 1 . . . . . 20 ASP CB . 51147 1 143 . 1 . 1 20 20 ASP N N 15 119.974 0.3 . 1 . . . . . 20 ASP N . 51147 1 144 . 1 . 1 21 21 GLU H H 1 8.498 0.020 . 1 . . . . . 21 GLU H . 51147 1 145 . 1 . 1 21 21 GLU HA H 1 4.364 0.020 . 1 . . . . . 21 GLU HA . 51147 1 146 . 1 . 1 21 21 GLU HB2 H 1 2.095 0.020 . 2 . . . . . 21 GLU HB2 . 51147 1 147 . 1 . 1 21 21 GLU HB3 H 1 1.902 0.020 . 2 . . . . . 21 GLU HB3 . 51147 1 148 . 1 . 1 21 21 GLU C C 13 176.635 0.3 . 1 . . . . . 21 GLU C . 51147 1 149 . 1 . 1 21 21 GLU CA C 13 56.532 0.3 . 1 . . . . . 21 GLU CA . 51147 1 150 . 1 . 1 21 21 GLU CB C 13 29.396 0.3 . 1 . . . . . 21 GLU CB . 51147 1 151 . 1 . 1 21 21 GLU N N 15 121.111 0.3 . 1 . . . . . 21 GLU N . 51147 1 152 . 1 . 1 22 22 SER H H 1 8.366 0.020 . 1 . . . . . 22 SER H . 51147 1 153 . 1 . 1 22 22 SER HA H 1 4.408 0.020 . 1 . . . . . 22 SER HA . 51147 1 154 . 1 . 1 22 22 SER HB2 H 1 3.875 0.020 . 2 . . . . . 22 SER HB2 . 51147 1 155 . 1 . 1 22 22 SER HB3 H 1 3.864 0.020 . 2 . . . . . 22 SER HB3 . 51147 1 156 . 1 . 1 22 22 SER C C 13 175.119 0.3 . 1 . . . . . 22 SER C . 51147 1 157 . 1 . 1 22 22 SER CA C 13 59.005 0.3 . 1 . . . . . 22 SER CA . 51147 1 158 . 1 . 1 22 22 SER CB C 13 63.826 0.3 . 1 . . . . . 22 SER CB . 51147 1 159 . 1 . 1 22 22 SER N N 15 116.393 0.3 . 1 . . . . . 22 SER N . 51147 1 160 . 1 . 1 23 23 GLY H H 1 8.354 0.020 . 1 . . . . . 23 GLY H . 51147 1 161 . 1 . 1 23 23 GLY HA2 H 1 3.965 0.020 . 2 . . . . . 23 GLY HA2 . 51147 1 162 . 1 . 1 23 23 GLY HA3 H 1 3.934 0.020 . 2 . . . . . 23 GLY HA3 . 51147 1 163 . 1 . 1 23 23 GLY C C 13 173.923 0.3 . 1 . . . . . 23 GLY C . 51147 1 164 . 1 . 1 23 23 GLY CA C 13 45.226 0.3 . 1 . . . . . 23 GLY CA . 51147 1 165 . 1 . 1 23 23 GLY N N 15 110.516 0.3 . 1 . . . . . 23 GLY N . 51147 1 166 . 1 . 1 24 24 THR H H 1 8.085 0.020 . 1 . . . . . 24 THR H . 51147 1 167 . 1 . 1 24 24 THR HA H 1 4.610 0.020 . 1 . . . . . 24 THR HA . 51147 1 168 . 1 . 1 24 24 THR HB H 1 4.115 0.020 . 1 . . . . . 24 THR HB . 51147 1 169 . 1 . 1 24 24 THR C C 13 173.072 0.3 . 1 . . . . . 24 THR C . 51147 1 170 . 1 . 1 24 24 THR CA C 13 59.806 0.3 . 1 . . . . . 24 THR CA . 51147 1 171 . 1 . 1 24 24 THR CB C 13 69.812 0.3 . 1 . . . . . 24 THR CB . 51147 1 172 . 1 . 1 24 24 THR N N 15 116.113 0.3 . 1 . . . . . 24 THR N . 51147 1 173 . 1 . 1 25 25 PRO HA H 1 4.409 0.020 . 1 . . . . . 25 PRO HA . 51147 1 174 . 1 . 1 25 25 PRO HB2 H 1 2.299 0.020 . 2 . . . . . 25 PRO HB2 . 51147 1 175 . 1 . 1 25 25 PRO HB3 H 1 1.940 0.020 . 2 . . . . . 25 PRO HB3 . 51147 1 176 . 1 . 1 25 25 PRO C C 13 177.654 0.3 . 1 . . . . . 25 PRO C . 51147 1 177 . 1 . 1 25 25 PRO CA C 13 63.731 0.3 . 1 . . . . . 25 PRO CA . 51147 1 178 . 1 . 1 25 25 PRO CB C 13 31.938 0.3 . 1 . . . . . 25 PRO CB . 51147 1 179 . 1 . 1 26 26 GLY H H 1 8.538 0.020 . 1 . . . . . 26 GLY H . 51147 1 180 . 1 . 1 26 26 GLY HA2 H 1 3.965 0.020 . 2 . . . . . 26 GLY HA2 . 51147 1 181 . 1 . 1 26 26 GLY HA3 H 1 3.869 0.020 . 2 . . . . . 26 GLY HA3 . 51147 1 182 . 1 . 1 26 26 GLY C C 13 174.816 0.3 . 1 . . . . . 26 GLY C . 51147 1 183 . 1 . 1 26 26 GLY CA C 13 45.315 0.3 . 1 . . . . . 26 GLY CA . 51147 1 184 . 1 . 1 26 26 GLY N N 15 109.831 0.3 . 1 . . . . . 26 GLY N . 51147 1 185 . 1 . 1 27 27 GLY H H 1 8.218 0.020 . 1 . . . . . 27 GLY H . 51147 1 186 . 1 . 1 27 27 GLY HA2 H 1 3.955 0.020 . 2 . . . . . 27 GLY HA2 . 51147 1 187 . 1 . 1 27 27 GLY HA3 H 1 3.940 0.020 . 2 . . . . . 27 GLY HA3 . 51147 1 188 . 1 . 1 27 27 GLY C C 13 174.122 0.3 . 1 . . . . . 27 GLY C . 51147 1 189 . 1 . 1 27 27 GLY CA C 13 45.193 0.3 . 1 . . . . . 27 GLY CA . 51147 1 190 . 1 . 1 27 27 GLY N N 15 108.576 0.3 . 1 . . . . . 27 GLY N . 51147 1 191 . 1 . 1 28 28 GLU H H 1 8.298 0.020 . 1 . . . . . 28 GLU H . 51147 1 192 . 1 . 1 28 28 GLU HA H 1 4.184 0.020 . 1 . . . . . 28 GLU HA . 51147 1 193 . 1 . 1 28 28 GLU HB2 H 1 1.968 0.020 . 2 . . . . . 28 GLU HB2 . 51147 1 194 . 1 . 1 28 28 GLU HB3 H 1 1.870 0.020 . 2 . . . . . 28 GLU HB3 . 51147 1 195 . 1 . 1 28 28 GLU C C 13 175.858 0.3 . 1 . . . . . 28 GLU C . 51147 1 196 . 1 . 1 28 28 GLU CA C 13 56.183 0.3 . 1 . . . . . 28 GLU CA . 51147 1 197 . 1 . 1 28 28 GLU CB C 13 29.911 0.3 . 1 . . . . . 28 GLU CB . 51147 1 198 . 1 . 1 28 28 GLU N N 15 120.120 0.3 . 1 . . . . . 28 GLU N . 51147 1 199 . 1 . 1 29 29 ALA H H 1 8.235 0.020 . 1 . . . . . 29 ALA H . 51147 1 200 . 1 . 1 29 29 ALA HA H 1 4.243 0.020 . 1 . . . . . 29 ALA HA . 51147 1 201 . 1 . 1 29 29 ALA HB1 H 1 1.262 0.020 . 1 . . . . . 29 ALA HB . 51147 1 202 . 1 . 1 29 29 ALA HB2 H 1 1.262 0.020 . 1 . . . . . 29 ALA HB . 51147 1 203 . 1 . 1 29 29 ALA HB3 H 1 1.262 0.020 . 1 . . . . . 29 ALA HB . 51147 1 204 . 1 . 1 29 29 ALA C C 13 176.967 0.3 . 1 . . . . . 29 ALA C . 51147 1 205 . 1 . 1 29 29 ALA CA C 13 52.375 0.3 . 1 . . . . . 29 ALA CA . 51147 1 206 . 1 . 1 29 29 ALA CB C 13 19.347 0.3 . 1 . . . . . 29 ALA CB . 51147 1 207 . 1 . 1 29 29 ALA N N 15 124.689 0.3 . 1 . . . . . 29 ALA N . 51147 1 208 . 1 . 1 30 30 PHE H H 1 8.114 0.020 . 1 . . . . . 30 PHE H . 51147 1 209 . 1 . 1 30 30 PHE C C 13 173.855 0.3 . 1 . . . . . 30 PHE C . 51147 1 210 . 1 . 1 30 30 PHE CA C 13 55.557 0.3 . 1 . . . . . 30 PHE CA . 51147 1 211 . 1 . 1 30 30 PHE CB C 13 39.136 0.3 . 1 . . . . . 30 PHE CB . 51147 1 212 . 1 . 1 30 30 PHE N N 15 119.871 0.3 . 1 . . . . . 30 PHE N . 51147 1 213 . 1 . 1 31 31 PRO HA H 1 4.430 0.020 . 1 . . . . . 31 PRO HA . 51147 1 214 . 1 . 1 31 31 PRO HB2 H 1 1.915 0.020 . 2 . . . . . 31 PRO HB2 . 51147 1 215 . 1 . 1 31 31 PRO HB3 H 1 2.260 0.020 . 2 . . . . . 31 PRO HB3 . 51147 1 216 . 1 . 1 31 31 PRO C C 13 173.614 0.3 . 1 . . . . . 31 PRO C . 51147 1 217 . 1 . 1 31 31 PRO CA C 13 63.103 0.3 . 1 . . . . . 31 PRO CA . 51147 1 218 . 1 . 1 31 31 PRO CB C 13 31.817 0.3 . 1 . . . . . 31 PRO CB . 51147 1 219 . 1 . 1 32 32 LEU H H 1 8.337 0.020 . 1 . . . . . 32 LEU H . 51147 1 220 . 1 . 1 32 32 LEU HA H 1 4.302 0.020 . 1 . . . . . 32 LEU HA . 51147 1 221 . 1 . 1 32 32 LEU HB2 H 1 1.657 0.020 . 2 . . . . . 32 LEU HB2 . 51147 1 222 . 1 . 1 32 32 LEU HB3 H 1 1.538 0.020 . 2 . . . . . 32 LEU HB3 . 51147 1 223 . 1 . 1 32 32 LEU C C 13 177.992 0.3 . 1 . . . . . 32 LEU C . 51147 1 224 . 1 . 1 32 32 LEU CA C 13 55.683 0.3 . 1 . . . . . 32 LEU CA . 51147 1 225 . 1 . 1 32 32 LEU CB C 13 42.128 0.3 . 1 . . . . . 32 LEU CB . 51147 1 226 . 1 . 1 32 32 LEU N N 15 122.422 0.3 . 1 . . . . . 32 LEU N . 51147 1 227 . 1 . 1 33 33 SER H H 1 8.291 0.020 . 1 . . . . . 33 SER H . 51147 1 228 . 1 . 1 33 33 SER HA H 1 4.455 0.020 . 1 . . . . . 33 SER HA . 51147 1 229 . 1 . 1 33 33 SER HB2 H 1 3.915 0.020 . 2 . . . . . 33 SER HB2 . 51147 1 230 . 1 . 1 33 33 SER HB3 H 1 3.843 0.020 . 2 . . . . . 33 SER HB3 . 51147 1 231 . 1 . 1 33 33 SER C C 13 174.750 0.3 . 1 . . . . . 33 SER C . 51147 1 232 . 1 . 1 33 33 SER CA C 13 58.605 0.3 . 1 . . . . . 33 SER CA . 51147 1 233 . 1 . 1 33 33 SER CB C 13 63.643 0.3 . 1 . . . . . 33 SER CB . 51147 1 234 . 1 . 1 33 33 SER N N 15 115.514 0.3 . 1 . . . . . 33 SER N . 51147 1 235 . 1 . 1 34 34 SER H H 1 8.475 0.020 . 1 . . . . . 34 SER H . 51147 1 236 . 1 . 1 34 34 SER HA H 1 4.405 0.020 . 1 . . . . . 34 SER HA . 51147 1 237 . 1 . 1 34 34 SER HB2 H 1 3.854 0.020 . 2 . . . . . 34 SER HB2 . 51147 1 238 . 1 . 1 34 34 SER HB3 H 1 3.880 0.020 . 2 . . . . . 34 SER HB3 . 51147 1 239 . 1 . 1 34 34 SER C C 13 174.768 0.3 . 1 . . . . . 34 SER C . 51147 1 240 . 1 . 1 34 34 SER CA C 13 58.691 0.3 . 1 . . . . . 34 SER CA . 51147 1 241 . 1 . 1 34 34 SER CB C 13 63.641 0.3 . 1 . . . . . 34 SER CB . 51147 1 242 . 1 . 1 34 34 SER N N 15 117.576 0.3 . 1 . . . . . 34 SER N . 51147 1 243 . 1 . 1 35 35 LEU H H 1 8.061 0.020 . 1 . . . . . 35 LEU H . 51147 1 244 . 1 . 1 35 35 LEU HA H 1 4.249 0.020 . 1 . . . . . 35 LEU HA . 51147 1 245 . 1 . 1 35 35 LEU C C 13 177.265 0.3 . 1 . . . . . 35 LEU C . 51147 1 246 . 1 . 1 35 35 LEU CA C 13 55.515 0.3 . 1 . . . . . 35 LEU CA . 51147 1 247 . 1 . 1 35 35 LEU CB C 13 42.164 0.3 . 1 . . . . . 35 LEU CB . 51147 1 248 . 1 . 1 35 35 LEU N N 15 123.161 0.3 . 1 . . . . . 35 LEU N . 51147 1 249 . 1 . 1 36 36 ALA H H 1 8.016 0.020 . 1 . . . . . 36 ALA H . 51147 1 250 . 1 . 1 36 36 ALA HA H 1 4.206 0.020 . 1 . . . . . 36 ALA HA . 51147 1 251 . 1 . 1 36 36 ALA C C 13 177.595 0.3 . 1 . . . . . 36 ALA C . 51147 1 252 . 1 . 1 36 36 ALA CA C 13 53.086 0.3 . 1 . . . . . 36 ALA CA . 51147 1 253 . 1 . 1 36 36 ALA CB C 13 19.148 0.3 . 1 . . . . . 36 ALA CB . 51147 1 254 . 1 . 1 36 36 ALA N N 15 122.780 0.3 . 1 . . . . . 36 ALA N . 51147 1 255 . 1 . 1 37 37 ASN H H 1 8.162 0.020 . 1 . . . . . 37 ASN H . 51147 1 256 . 1 . 1 37 37 ASN HA H 1 4.615 0.020 . 1 . . . . . 37 ASN HA . 51147 1 257 . 1 . 1 37 37 ASN C C 13 175.144 0.3 . 1 . . . . . 37 ASN C . 51147 1 258 . 1 . 1 37 37 ASN CA C 13 53.330 0.3 . 1 . . . . . 37 ASN CA . 51147 1 259 . 1 . 1 37 37 ASN CB C 13 38.715 0.3 . 1 . . . . . 37 ASN CB . 51147 1 260 . 1 . 1 37 37 ASN N N 15 116.384 0.3 . 1 . . . . . 37 ASN N . 51147 1 261 . 1 . 1 38 38 LEU H H 1 7.932 0.020 . 1 . . . . . 38 LEU H . 51147 1 262 . 1 . 1 38 38 LEU HA H 1 4.229 0.020 . 1 . . . . . 38 LEU HA . 51147 1 263 . 1 . 1 38 38 LEU C C 13 176.977 0.3 . 1 . . . . . 38 LEU C . 51147 1 264 . 1 . 1 38 38 LEU CA C 13 55.499 0.3 . 1 . . . . . 38 LEU CA . 51147 1 265 . 1 . 1 38 38 LEU CB C 13 42.422 0.3 . 1 . . . . . 38 LEU CB . 51147 1 266 . 1 . 1 38 38 LEU N N 15 121.455 0.3 . 1 . . . . . 38 LEU N . 51147 1 267 . 1 . 1 39 39 PHE H H 1 8.142 0.020 . 1 . . . . . 39 PHE H . 51147 1 268 . 1 . 1 39 39 PHE HA H 1 4.627 0.020 . 1 . . . . . 39 PHE HA . 51147 1 269 . 1 . 1 39 39 PHE C C 13 175.656 0.3 . 1 . . . . . 39 PHE C . 51147 1 270 . 1 . 1 39 39 PHE CA C 13 57.530 0.3 . 1 . . . . . 39 PHE CA . 51147 1 271 . 1 . 1 39 39 PHE CB C 13 39.532 0.3 . 1 . . . . . 39 PHE CB . 51147 1 272 . 1 . 1 39 39 PHE N N 15 119.335 0.3 . 1 . . . . . 39 PHE N . 51147 1 273 . 1 . 1 40 40 GLU H H 1 8.222 0.020 . 1 . . . . . 40 GLU H . 51147 1 274 . 1 . 1 40 40 GLU HA H 1 4.256 0.020 . 1 . . . . . 40 GLU HA . 51147 1 275 . 1 . 1 40 40 GLU HB2 H 1 1.990 0.020 . 2 . . . . . 40 GLU HB2 . 51147 1 276 . 1 . 1 40 40 GLU HB3 H 1 1.962 0.020 . 2 . . . . . 40 GLU HB3 . 51147 1 277 . 1 . 1 40 40 GLU C C 13 176.478 0.3 . 1 . . . . . 40 GLU C . 51147 1 278 . 1 . 1 40 40 GLU CA C 13 56.336 0.3 . 1 . . . . . 40 GLU CA . 51147 1 279 . 1 . 1 40 40 GLU CB C 13 29.854 0.3 . 1 . . . . . 40 GLU CB . 51147 1 280 . 1 . 1 40 40 GLU N N 15 121.924 0.3 . 1 . . . . . 40 GLU N . 51147 1 281 . 1 . 1 41 41 GLY H H 1 8.132 0.020 . 1 . . . . . 41 GLY H . 51147 1 282 . 1 . 1 41 41 GLY HA2 H 1 3.970 0.020 . 2 . . . . . 41 GLY HA2 . 51147 1 283 . 1 . 1 41 41 GLY HA3 H 1 3.953 0.020 . 2 . . . . . 41 GLY HA3 . 51147 1 284 . 1 . 1 41 41 GLY C C 13 174.287 0.3 . 1 . . . . . 41 GLY C . 51147 1 285 . 1 . 1 41 41 GLY CA C 13 45.206 0.3 . 1 . . . . . 41 GLY CA . 51147 1 286 . 1 . 1 41 41 GLY N N 15 109.530 0.3 . 1 . . . . . 41 GLY N . 51147 1 287 . 1 . 1 42 42 GLU H H 1 8.324 0.020 . 1 . . . . . 42 GLU H . 51147 1 288 . 1 . 1 42 42 GLU HA H 1 4.305 0.020 . 1 . . . . . 42 GLU HA . 51147 1 289 . 1 . 1 42 42 GLU HB2 H 1 2.033 0.020 . 2 . . . . . 42 GLU HB2 . 51147 1 290 . 1 . 1 42 42 GLU HB3 H 1 1.949 0.020 . 2 . . . . . 42 GLU HB3 . 51147 1 291 . 1 . 1 42 42 GLU C C 13 176.338 0.3 . 1 . . . . . 42 GLU C . 51147 1 292 . 1 . 1 42 42 GLU CA C 13 56.560 0.3 . 1 . . . . . 42 GLU CA . 51147 1 293 . 1 . 1 42 42 GLU CB C 13 29.783 0.3 . 1 . . . . . 42 GLU CB . 51147 1 294 . 1 . 1 42 42 GLU N N 15 120.178 0.3 . 1 . . . . . 42 GLU N . 51147 1 295 . 1 . 1 43 43 ASP H H 1 8.459 0.020 . 1 . . . . . 43 ASP H . 51147 1 296 . 1 . 1 43 43 ASP HA H 1 4.600 0.020 . 1 . . . . . 43 ASP HA . 51147 1 297 . 1 . 1 43 43 ASP HB2 H 1 2.681 0.020 . 1 . . . . . 43 ASP HB2 . 51147 1 298 . 1 . 1 43 43 ASP HB3 H 1 2.681 0.020 . 1 . . . . . 43 ASP HB3 . 51147 1 299 . 1 . 1 43 43 ASP C C 13 176.809 0.3 . 1 . . . . . 43 ASP C . 51147 1 300 . 1 . 1 43 43 ASP CA C 13 54.219 0.3 . 1 . . . . . 43 ASP CA . 51147 1 301 . 1 . 1 43 43 ASP CB C 13 40.727 0.3 . 1 . . . . . 43 ASP CB . 51147 1 302 . 1 . 1 43 43 ASP N N 15 120.365 0.3 . 1 . . . . . 43 ASP N . 51147 1 303 . 1 . 1 44 44 GLY H H 1 8.348 0.020 . 1 . . . . . 44 GLY H . 51147 1 304 . 1 . 1 44 44 GLY HA2 H 1 3.961 0.020 . 2 . . . . . 44 GLY HA2 . 51147 1 305 . 1 . 1 44 44 GLY HA3 H 1 3.870 0.020 . 2 . . . . . 44 GLY HA3 . 51147 1 306 . 1 . 1 44 44 GLY C C 13 174.551 0.3 . 1 . . . . . 44 GLY C . 51147 1 307 . 1 . 1 44 44 GLY CA C 13 45.667 0.3 . 1 . . . . . 44 GLY CA . 51147 1 308 . 1 . 1 44 44 GLY N N 15 109.733 0.3 . 1 . . . . . 44 GLY N . 51147 1 309 . 1 . 1 45 45 SER H H 1 8.186 0.020 . 1 . . . . . 45 SER H . 51147 1 310 . 1 . 1 45 45 SER HA H 1 4.401 0.020 . 1 . . . . . 45 SER HA . 51147 1 311 . 1 . 1 45 45 SER HB2 H 1 3.889 0.020 . 2 . . . . . 45 SER HB2 . 51147 1 312 . 1 . 1 45 45 SER HB3 H 1 3.856 0.020 . 2 . . . . . 45 SER HB3 . 51147 1 313 . 1 . 1 45 45 SER C C 13 174.527 0.3 . 1 . . . . . 45 SER C . 51147 1 314 . 1 . 1 45 45 SER CA C 13 58.801 0.3 . 1 . . . . . 45 SER CA . 51147 1 315 . 1 . 1 45 45 SER CB C 13 63.864 0.3 . 1 . . . . . 45 SER CB . 51147 1 316 . 1 . 1 45 45 SER N N 15 115.598 0.3 . 1 . . . . . 45 SER N . 51147 1 317 . 1 . 1 46 46 LEU H H 1 8.195 0.020 . 1 . . . . . 46 LEU H . 51147 1 318 . 1 . 1 46 46 LEU HA H 1 4.452 0.020 . 1 . . . . . 46 LEU HA . 51147 1 319 . 1 . 1 46 46 LEU HB2 H 1 1.625 0.020 . 2 . . . . . 46 LEU HB2 . 51147 1 320 . 1 . 1 46 46 LEU HB3 H 1 1.578 0.020 . 2 . . . . . 46 LEU HB3 . 51147 1 321 . 1 . 1 46 46 LEU C C 13 177.165 0.3 . 1 . . . . . 46 LEU C . 51147 1 322 . 1 . 1 46 46 LEU CA C 13 54.992 0.3 . 1 . . . . . 46 LEU CA . 51147 1 323 . 1 . 1 46 46 LEU CB C 13 42.490 0.3 . 1 . . . . . 46 LEU CB . 51147 1 324 . 1 . 1 46 46 LEU N N 15 123.108 0.3 . 1 . . . . . 46 LEU N . 51147 1 325 . 1 . 1 47 47 SER H H 1 8.243 0.020 . 1 . . . . . 47 SER H . 51147 1 326 . 1 . 1 47 47 SER HA H 1 4.303 0.020 . 1 . . . . . 47 SER HA . 51147 1 327 . 1 . 1 47 47 SER C C 13 177.087 0.3 . 1 . . . . . 47 SER C . 51147 1 328 . 1 . 1 47 47 SER CA C 13 56.269 0.3 . 1 . . . . . 47 SER CA . 51147 1 329 . 1 . 1 47 47 SER CB C 13 63.434 0.3 . 1 . . . . . 47 SER CB . 51147 1 330 . 1 . 1 47 47 SER N N 15 117.621 0.3 . 1 . . . . . 47 SER N . 51147 1 331 . 1 . 1 48 48 PRO HA H 1 4.363 0.020 . 1 . . . . . 48 PRO HA . 51147 1 332 . 1 . 1 48 48 PRO HB2 H 1 2.274 0.020 . 2 . . . . . 48 PRO HB2 . 51147 1 333 . 1 . 1 48 48 PRO HB3 H 1 1.909 0.020 . 2 . . . . . 48 PRO HB3 . 51147 1 334 . 1 . 1 48 48 PRO C C 13 176.777 0.3 . 1 . . . . . 48 PRO C . 51147 1 335 . 1 . 1 48 48 PRO CA C 13 63.170 0.3 . 1 . . . . . 48 PRO CA . 51147 1 336 . 1 . 1 48 48 PRO CB C 13 31.982 0.3 . 1 . . . . . 48 PRO CB . 51147 1 337 . 1 . 1 49 49 SER H H 1 8.448 0.020 . 1 . . . . . 49 SER H . 51147 1 338 . 1 . 1 49 49 SER HA H 1 4.294 0.020 . 1 . . . . . 49 SER HA . 51147 1 339 . 1 . 1 49 49 SER C C 13 176.741 0.3 . 1 . . . . . 49 SER C . 51147 1 340 . 1 . 1 49 49 SER CA C 13 56.313 0.3 . 1 . . . . . 49 SER CA . 51147 1 341 . 1 . 1 49 49 SER CB C 13 63.418 0.3 . 1 . . . . . 49 SER CB . 51147 1 342 . 1 . 1 49 49 SER N N 15 117.569 0.3 . 1 . . . . . 49 SER N . 51147 1 343 . 1 . 1 50 50 PRO HA H 1 4.416 0.020 . 1 . . . . . 50 PRO HA . 51147 1 344 . 1 . 1 50 50 PRO HB2 H 1 1.804 0.020 . 2 . . . . . 50 PRO HB2 . 51147 1 345 . 1 . 1 50 50 PRO HB3 H 1 1.733 0.020 . 2 . . . . . 50 PRO HB3 . 51147 1 346 . 1 . 1 50 50 PRO C C 13 177.068 0.3 . 1 . . . . . 50 PRO C . 51147 1 347 . 1 . 1 50 50 PRO CA C 13 63.586 0.3 . 1 . . . . . 50 PRO CA . 51147 1 348 . 1 . 1 50 50 PRO CB C 13 31.957 0.3 . 1 . . . . . 50 PRO CB . 51147 1 349 . 1 . 1 51 51 ALA H H 1 8.288 0.020 . 1 . . . . . 51 ALA H . 51147 1 350 . 1 . 1 51 51 ALA HA H 1 4.239 0.020 . 1 . . . . . 51 ALA HA . 51147 1 351 . 1 . 1 51 51 ALA HB1 H 1 1.369 0.020 . 1 . . . . . 51 ALA HB . 51147 1 352 . 1 . 1 51 51 ALA HB2 H 1 1.369 0.020 . 1 . . . . . 51 ALA HB . 51147 1 353 . 1 . 1 51 51 ALA HB3 H 1 1.369 0.020 . 1 . . . . . 51 ALA HB . 51147 1 354 . 1 . 1 51 51 ALA C C 13 177.788 0.3 . 1 . . . . . 51 ALA C . 51147 1 355 . 1 . 1 51 51 ALA CA C 13 52.969 0.3 . 1 . . . . . 51 ALA CA . 51147 1 356 . 1 . 1 51 51 ALA CB C 13 19.026 0.3 . 1 . . . . . 51 ALA CB . 51147 1 357 . 1 . 1 51 51 ALA N N 15 123.160 0.3 . 1 . . . . . 51 ALA N . 51147 1 358 . 1 . 1 52 52 ASP H H 1 8.117 0.020 . 1 . . . . . 52 ASP H . 51147 1 359 . 1 . 1 52 52 ASP HA H 1 4.636 0.020 . 1 . . . . . 52 ASP HA . 51147 1 360 . 1 . 1 52 52 ASP HB2 H 1 2.732 0.020 . 2 . . . . . 52 ASP HB2 . 51147 1 361 . 1 . 1 52 52 ASP HB3 H 1 2.670 0.020 . 2 . . . . . 52 ASP HB3 . 51147 1 362 . 1 . 1 52 52 ASP C C 13 176.269 0.3 . 1 . . . . . 52 ASP C . 51147 1 363 . 1 . 1 52 52 ASP CA C 13 54.228 0.3 . 1 . . . . . 52 ASP CA . 51147 1 364 . 1 . 1 52 52 ASP CB C 13 41.005 0.3 . 1 . . . . . 52 ASP CB . 51147 1 365 . 1 . 1 52 52 ASP N N 15 118.673 0.3 . 1 . . . . . 52 ASP N . 51147 1 366 . 1 . 1 53 53 ALA H H 1 8.169 0.020 . 1 . . . . . 53 ALA H . 51147 1 367 . 1 . 1 53 53 ALA HA H 1 4.299 0.020 . 1 . . . . . 53 ALA HA . 51147 1 368 . 1 . 1 53 53 ALA HB1 H 1 1.355 0.020 . 1 . . . . . 53 ALA HB . 51147 1 369 . 1 . 1 53 53 ALA HB2 H 1 1.355 0.020 . 1 . . . . . 53 ALA HB . 51147 1 370 . 1 . 1 53 53 ALA HB3 H 1 1.355 0.020 . 1 . . . . . 53 ALA HB . 51147 1 371 . 1 . 1 53 53 ALA C C 13 177.814 0.3 . 1 . . . . . 53 ALA C . 51147 1 372 . 1 . 1 53 53 ALA CA C 13 52.944 0.3 . 1 . . . . . 53 ALA CA . 51147 1 373 . 1 . 1 53 53 ALA CB C 13 19.055 0.3 . 1 . . . . . 53 ALA CB . 51147 1 374 . 1 . 1 53 53 ALA N N 15 124.290 0.3 . 1 . . . . . 53 ALA N . 51147 1 375 . 1 . 1 54 54 SER H H 1 8.246 0.020 . 1 . . . . . 54 SER H . 51147 1 376 . 1 . 1 54 54 SER HA H 1 4.455 0.020 . 1 . . . . . 54 SER HA . 51147 1 377 . 1 . 1 54 54 SER HB2 H 1 3.875 0.020 . 2 . . . . . 54 SER HB2 . 51147 1 378 . 1 . 1 54 54 SER HB3 H 1 3.858 0.020 . 2 . . . . . 54 SER HB3 . 51147 1 379 . 1 . 1 54 54 SER C C 13 174.127 0.3 . 1 . . . . . 54 SER C . 51147 1 380 . 1 . 1 54 54 SER CA C 13 58.667 0.3 . 1 . . . . . 54 SER CA . 51147 1 381 . 1 . 1 54 54 SER CB C 13 63.751 0.3 . 1 . . . . . 54 SER CB . 51147 1 382 . 1 . 1 54 54 SER N N 15 114.184 0.3 . 1 . . . . . 54 SER N . 51147 1 383 . 1 . 1 55 55 ARG H H 1 8.003 0.020 . 1 . . . . . 55 ARG H . 51147 1 384 . 1 . 1 55 55 ARG HA H 1 4.638 0.020 . 1 . . . . . 55 ARG HA . 51147 1 385 . 1 . 1 55 55 ARG C C 13 173.951 0.3 . 1 . . . . . 55 ARG C . 51147 1 386 . 1 . 1 55 55 ARG CA C 13 53.904 0.3 . 1 . . . . . 55 ARG CA . 51147 1 387 . 1 . 1 55 55 ARG CB C 13 30.337 0.3 . 1 . . . . . 55 ARG CB . 51147 1 388 . 1 . 1 55 55 ARG N N 15 123.234 0.3 . 1 . . . . . 55 ARG N . 51147 1 389 . 1 . 1 56 56 PRO HA H 1 4.416 0.020 . 1 . . . . . 56 PRO HA . 51147 1 390 . 1 . 1 56 56 PRO HB2 H 1 2.297 0.020 . 2 . . . . . 56 PRO HB2 . 51147 1 391 . 1 . 1 56 56 PRO HB3 H 1 1.912 0.020 . 2 . . . . . 56 PRO HB3 . 51147 1 392 . 1 . 1 56 56 PRO C C 13 176.644 0.3 . 1 . . . . . 56 PRO C . 51147 1 393 . 1 . 1 56 56 PRO CA C 13 63.117 0.3 . 1 . . . . . 56 PRO CA . 51147 1 394 . 1 . 1 56 56 PRO CB C 13 32.065 0.3 . 1 . . . . . 56 PRO CB . 51147 1 395 . 1 . 1 57 57 ALA H H 1 8.465 0.020 . 1 . . . . . 57 ALA H . 51147 1 396 . 1 . 1 57 57 ALA HA H 1 4.353 0.020 . 1 . . . . . 57 ALA HA . 51147 1 397 . 1 . 1 57 57 ALA HB1 H 1 1.347 0.020 . 1 . . . . . 57 ALA HB . 51147 1 398 . 1 . 1 57 57 ALA HB2 H 1 1.347 0.020 . 1 . . . . . 57 ALA HB . 51147 1 399 . 1 . 1 57 57 ALA HB3 H 1 1.347 0.020 . 1 . . . . . 57 ALA HB . 51147 1 400 . 1 . 1 57 57 ALA C C 13 177.936 0.3 . 1 . . . . . 57 ALA C . 51147 1 401 . 1 . 1 57 57 ALA CA C 13 52.390 0.3 . 1 . . . . . 57 ALA CA . 51147 1 402 . 1 . 1 57 57 ALA CB C 13 19.524 0.3 . 1 . . . . . 57 ALA CB . 51147 1 403 . 1 . 1 57 57 ALA N N 15 124.556 0.3 . 1 . . . . . 57 ALA N . 51147 1 404 . 1 . 1 58 58 GLY H H 1 8.288 0.020 . 1 . . . . . 58 GLY H . 51147 1 405 . 1 . 1 58 58 GLY HA2 H 1 4.163 0.020 . 2 . . . . . 58 GLY HA2 . 51147 1 406 . 1 . 1 58 58 GLY HA3 H 1 4.022 0.020 . 2 . . . . . 58 GLY HA3 . 51147 1 407 . 1 . 1 58 58 GLY C C 13 172.062 0.3 . 1 . . . . . 58 GLY C . 51147 1 408 . 1 . 1 58 58 GLY CA C 13 44.545 0.3 . 1 . . . . . 58 GLY CA . 51147 1 409 . 1 . 1 58 58 GLY N N 15 108.454 0.3 . 1 . . . . . 58 GLY N . 51147 1 410 . 1 . 1 59 59 PRO HA H 1 4.426 0.020 . 1 . . . . . 59 PRO HA . 51147 1 411 . 1 . 1 59 59 PRO HB2 H 1 2.281 0.020 . 2 . . . . . 59 PRO HB2 . 51147 1 412 . 1 . 1 59 59 PRO HB3 H 1 1.976 0.020 . 2 . . . . . 59 PRO HB3 . 51147 1 413 . 1 . 1 59 59 PRO C C 13 177.899 0.3 . 1 . . . . . 59 PRO C . 51147 1 414 . 1 . 1 59 59 PRO CA C 13 63.574 0.3 . 1 . . . . . 59 PRO CA . 51147 1 415 . 1 . 1 59 59 PRO CB C 13 32.013 0.3 . 1 . . . . . 59 PRO CB . 51147 1 416 . 1 . 1 60 60 GLY H H 1 8.543 0.020 . 1 . . . . . 60 GLY H . 51147 1 417 . 1 . 1 60 60 GLY HA2 H 1 3.993 0.020 . 2 . . . . . 60 GLY HA2 . 51147 1 418 . 1 . 1 60 60 GLY HA3 H 1 3.953 0.020 . 2 . . . . . 60 GLY HA3 . 51147 1 419 . 1 . 1 60 60 GLY C C 13 174.166 0.3 . 1 . . . . . 60 GLY C . 51147 1 420 . 1 . 1 60 60 GLY CA C 13 45.391 0.3 . 1 . . . . . 60 GLY CA . 51147 1 421 . 1 . 1 60 60 GLY N N 15 109.259 0.3 . 1 . . . . . 60 GLY N . 51147 1 422 . 1 . 1 61 61 ASP H H 1 8.120 0.020 . 1 . . . . . 61 ASP H . 51147 1 423 . 1 . 1 61 61 ASP HA H 1 4.591 0.020 . 1 . . . . . 61 ASP HA . 51147 1 424 . 1 . 1 61 61 ASP HB2 H 1 2.745 0.020 . 2 . . . . . 61 ASP HB2 . 51147 1 425 . 1 . 1 61 61 ASP HB3 H 1 2.687 0.020 . 2 . . . . . 61 ASP HB3 . 51147 1 426 . 1 . 1 61 61 ASP C C 13 176.828 0.3 . 1 . . . . . 61 ASP C . 51147 1 427 . 1 . 1 61 61 ASP CA C 13 54.227 0.3 . 1 . . . . . 61 ASP CA . 51147 1 428 . 1 . 1 61 61 ASP CB C 13 41.055 0.3 . 1 . . . . . 61 ASP CB . 51147 1 429 . 1 . 1 61 61 ASP N N 15 119.949 0.3 . 1 . . . . . 61 ASP N . 51147 1 430 . 1 . 1 62 62 GLY H H 1 8.421 0.020 . 1 . . . . . 62 GLY H . 51147 1 431 . 1 . 1 62 62 GLY HA2 H 1 3.977 0.020 . 2 . . . . . 62 GLY HA2 . 51147 1 432 . 1 . 1 62 62 GLY HA3 H 1 3.861 0.020 . 2 . . . . . 62 GLY HA3 . 51147 1 433 . 1 . 1 62 62 GLY C C 13 174.144 0.3 . 1 . . . . . 62 GLY C . 51147 1 434 . 1 . 1 62 62 GLY CA C 13 45.433 0.3 . 1 . . . . . 62 GLY CA . 51147 1 435 . 1 . 1 62 62 GLY N N 15 108.959 0.3 . 1 . . . . . 62 GLY N . 51147 1 436 . 1 . 1 63 63 ARG H H 1 8.083 0.020 . 1 . . . . . 63 ARG H . 51147 1 437 . 1 . 1 63 63 ARG HA H 1 4.582 0.020 . 1 . . . . . 63 ARG HA . 51147 1 438 . 1 . 1 63 63 ARG C C 13 174.510 0.3 . 1 . . . . . 63 ARG C . 51147 1 439 . 1 . 1 63 63 ARG CA C 13 54.342 0.3 . 1 . . . . . 63 ARG CA . 51147 1 440 . 1 . 1 63 63 ARG CB C 13 29.901 0.3 . 1 . . . . . 63 ARG CB . 51147 1 441 . 1 . 1 63 63 ARG N N 15 121.130 0.3 . 1 . . . . . 63 ARG N . 51147 1 442 . 1 . 1 64 64 PRO HA H 1 4.391 0.020 . 1 . . . . . 64 PRO HA . 51147 1 443 . 1 . 1 64 64 PRO HB2 H 1 2.269 0.020 . 2 . . . . . 64 PRO HB2 . 51147 1 444 . 1 . 1 64 64 PRO HB3 H 1 1.863 0.020 . 2 . . . . . 64 PRO HB3 . 51147 1 445 . 1 . 1 64 64 PRO C C 13 176.637 0.3 . 1 . . . . . 64 PRO C . 51147 1 446 . 1 . 1 64 64 PRO CA C 13 63.436 0.3 . 1 . . . . . 64 PRO CA . 51147 1 447 . 1 . 1 64 64 PRO CB C 13 31.996 0.3 . 1 . . . . . 64 PRO CB . 51147 1 448 . 1 . 1 65 65 ASN H H 1 8.489 0.020 . 1 . . . . . 65 ASN H . 51147 1 449 . 1 . 1 65 65 ASN HA H 1 4.608 0.020 . 1 . . . . . 65 ASN HA . 51147 1 450 . 1 . 1 65 65 ASN HB2 H 1 2.859 0.020 . 2 . . . . . 65 ASN HB2 . 51147 1 451 . 1 . 1 65 65 ASN HB3 H 1 2.785 0.020 . 2 . . . . . 65 ASN HB3 . 51147 1 452 . 1 . 1 65 65 ASN C C 13 175.387 0.3 . 1 . . . . . 65 ASN C . 51147 1 453 . 1 . 1 65 65 ASN CA C 13 53.220 0.3 . 1 . . . . . 65 ASN CA . 51147 1 454 . 1 . 1 65 65 ASN CB C 13 38.606 0.3 . 1 . . . . . 65 ASN CB . 51147 1 455 . 1 . 1 65 65 ASN N N 15 118.387 0.3 . 1 . . . . . 65 ASN N . 51147 1 456 . 1 . 1 66 66 LEU H H 1 8.198 0.020 . 1 . . . . . 66 LEU H . 51147 1 457 . 1 . 1 66 66 LEU HA H 1 4.250 0.020 . 1 . . . . . 66 LEU HA . 51147 1 458 . 1 . 1 66 66 LEU HB2 H 1 1.622 0.020 . 2 . . . . . 66 LEU HB2 . 51147 1 459 . 1 . 1 66 66 LEU HB3 H 1 1.606 0.020 . 2 . . . . . 66 LEU HB3 . 51147 1 460 . 1 . 1 66 66 LEU C C 13 177.421 0.3 . 1 . . . . . 66 LEU C . 51147 1 461 . 1 . 1 66 66 LEU CA C 13 55.636 0.3 . 1 . . . . . 66 LEU CA . 51147 1 462 . 1 . 1 66 66 LEU CB C 13 42.282 0.3 . 1 . . . . . 66 LEU CB . 51147 1 463 . 1 . 1 66 66 LEU N N 15 122.763 0.3 . 1 . . . . . 66 LEU N . 51147 1 464 . 1 . 1 67 67 ARG H H 1 8.230 0.020 . 1 . . . . . 67 ARG H . 51147 1 465 . 1 . 1 67 67 ARG HA H 1 4.275 0.020 . 1 . . . . . 67 ARG HA . 51147 1 466 . 1 . 1 67 67 ARG HB2 H 1 1.861 0.020 . 2 . . . . . 67 ARG HB2 . 51147 1 467 . 1 . 1 67 67 ARG HB3 H 1 1.773 0.020 . 2 . . . . . 67 ARG HB3 . 51147 1 468 . 1 . 1 67 67 ARG C C 13 176.503 0.3 . 1 . . . . . 67 ARG C . 51147 1 469 . 1 . 1 67 67 ARG CA C 13 56.554 0.3 . 1 . . . . . 67 ARG CA . 51147 1 470 . 1 . 1 67 67 ARG CB C 13 30.393 0.3 . 1 . . . . . 67 ARG CB . 51147 1 471 . 1 . 1 67 67 ARG N N 15 120.344 0.3 . 1 . . . . . 67 ARG N . 51147 1 472 . 1 . 1 68 68 MET H H 1 8.115 0.020 . 1 . . . . . 68 MET H . 51147 1 473 . 1 . 1 68 68 MET HA H 1 4.404 0.020 . 1 . . . . . 68 MET HA . 51147 1 474 . 1 . 1 68 68 MET HB2 H 1 2.045 0.020 . 2 . . . . . 68 MET HB2 . 51147 1 475 . 1 . 1 68 68 MET HB3 H 1 1.814 0.020 . 2 . . . . . 68 MET HB3 . 51147 1 476 . 1 . 1 68 68 MET C C 13 176.164 0.3 . 1 . . . . . 68 MET C . 51147 1 477 . 1 . 1 68 68 MET CA C 13 55.677 0.3 . 1 . . . . . 68 MET CA . 51147 1 478 . 1 . 1 68 68 MET CB C 13 32.970 0.3 . 1 . . . . . 68 MET CB . 51147 1 479 . 1 . 1 68 68 MET N N 15 120.095 0.3 . 1 . . . . . 68 MET N . 51147 1 480 . 1 . 1 69 69 LYS H H 1 8.170 0.020 . 1 . . . . . 69 LYS H . 51147 1 481 . 1 . 1 69 69 LYS HA H 1 4.269 0.020 . 1 . . . . . 69 LYS HA . 51147 1 482 . 1 . 1 69 69 LYS HB2 H 1 1.732 0.020 . 2 . . . . . 69 LYS HB2 . 51147 1 483 . 1 . 1 69 69 LYS HB3 H 1 1.715 0.020 . 2 . . . . . 69 LYS HB3 . 51147 1 484 . 1 . 1 69 69 LYS C C 13 176.230 0.3 . 1 . . . . . 69 LYS C . 51147 1 485 . 1 . 1 69 69 LYS CA C 13 56.674 0.3 . 1 . . . . . 69 LYS CA . 51147 1 486 . 1 . 1 69 69 LYS CB C 13 33.036 0.3 . 1 . . . . . 69 LYS CB . 51147 1 487 . 1 . 1 69 69 LYS N N 15 121.693 0.3 . 1 . . . . . 69 LYS N . 51147 1 488 . 1 . 1 70 70 PHE H H 1 8.203 0.020 . 1 . . . . . 70 PHE H . 51147 1 489 . 1 . 1 70 70 PHE HA H 1 4.615 0.020 . 1 . . . . . 70 PHE HA . 51147 1 490 . 1 . 1 70 70 PHE HB2 H 1 3.147 0.020 . 2 . . . . . 70 PHE HB2 . 51147 1 491 . 1 . 1 70 70 PHE HB3 H 1 3.111 0.020 . 2 . . . . . 70 PHE HB3 . 51147 1 492 . 1 . 1 70 70 PHE C C 13 175.685 0.3 . 1 . . . . . 70 PHE C . 51147 1 493 . 1 . 1 70 70 PHE CA C 13 57.764 0.3 . 1 . . . . . 70 PHE CA . 51147 1 494 . 1 . 1 70 70 PHE CB C 13 39.559 0.3 . 1 . . . . . 70 PHE CB . 51147 1 495 . 1 . 1 70 70 PHE N N 15 120.487 0.3 . 1 . . . . . 70 PHE N . 51147 1 496 . 1 . 1 71 71 GLN H H 1 8.303 0.020 . 1 . . . . . 71 GLN H . 51147 1 497 . 1 . 1 71 71 GLN HA H 1 4.280 0.020 . 1 . . . . . 71 GLN HA . 51147 1 498 . 1 . 1 71 71 GLN HB2 H 1 2.107 0.020 . 2 . . . . . 71 GLN HB2 . 51147 1 499 . 1 . 1 71 71 GLN HB3 H 1 1.951 0.020 . 2 . . . . . 71 GLN HB3 . 51147 1 500 . 1 . 1 71 71 GLN C C 13 176.081 0.3 . 1 . . . . . 71 GLN C . 51147 1 501 . 1 . 1 71 71 GLN CA C 13 55.974 0.3 . 1 . . . . . 71 GLN CA . 51147 1 502 . 1 . 1 71 71 GLN CB C 13 29.594 0.3 . 1 . . . . . 71 GLN CB . 51147 1 503 . 1 . 1 71 71 GLN N N 15 122.142 0.3 . 1 . . . . . 71 GLN N . 51147 1 504 . 1 . 1 72 72 GLY H H 1 7.932 0.020 . 1 . . . . . 72 GLY H . 51147 1 505 . 1 . 1 72 72 GLY HA2 H 1 3.935 0.020 . 2 . . . . . 72 GLY HA2 . 51147 1 506 . 1 . 1 72 72 GLY HA3 H 1 3.862 0.020 . 2 . . . . . 72 GLY HA3 . 51147 1 507 . 1 . 1 72 72 GLY C C 13 173.626 0.3 . 1 . . . . . 72 GLY C . 51147 1 508 . 1 . 1 72 72 GLY CA C 13 45.375 0.3 . 1 . . . . . 72 GLY CA . 51147 1 509 . 1 . 1 72 72 GLY N N 15 109.139 0.3 . 1 . . . . . 72 GLY N . 51147 1 510 . 1 . 1 73 73 ALA H H 1 8.077 0.020 . 1 . . . . . 73 ALA H . 51147 1 511 . 1 . 1 73 73 ALA HA H 1 4.276 0.020 . 1 . . . . . 73 ALA HA . 51147 1 512 . 1 . 1 73 73 ALA C C 13 177.388 0.3 . 1 . . . . . 73 ALA C . 51147 1 513 . 1 . 1 73 73 ALA CA C 13 52.507 0.3 . 1 . . . . . 73 ALA CA . 51147 1 514 . 1 . 1 73 73 ALA CB C 13 19.349 0.3 . 1 . . . . . 73 ALA CB . 51147 1 515 . 1 . 1 73 73 ALA N N 15 123.276 0.3 . 1 . . . . . 73 ALA N . 51147 1 516 . 1 . 1 74 74 PHE H H 1 8.146 0.020 . 1 . . . . . 74 PHE H . 51147 1 517 . 1 . 1 74 74 PHE HA H 1 4.604 0.020 . 1 . . . . . 74 PHE HA . 51147 1 518 . 1 . 1 74 74 PHE HB2 H 1 3.015 0.020 . 2 . . . . . 74 PHE HB2 . 51147 1 519 . 1 . 1 74 74 PHE HB3 H 1 2.985 0.020 . 2 . . . . . 74 PHE HB3 . 51147 1 520 . 1 . 1 74 74 PHE C C 13 175.635 0.3 . 1 . . . . . 74 PHE C . 51147 1 521 . 1 . 1 74 74 PHE CA C 13 57.725 0.3 . 1 . . . . . 74 PHE CA . 51147 1 522 . 1 . 1 74 74 PHE CB C 13 39.500 0.3 . 1 . . . . . 74 PHE CB . 51147 1 523 . 1 . 1 74 74 PHE N N 15 118.975 0.3 . 1 . . . . . 74 PHE N . 51147 1 524 . 1 . 1 75 75 ARG H H 1 8.141 0.020 . 1 . . . . . 75 ARG H . 51147 1 525 . 1 . 1 75 75 ARG HA H 1 4.209 0.020 . 1 . . . . . 75 ARG HA . 51147 1 526 . 1 . 1 75 75 ARG HB2 H 1 1.775 0.020 . 2 . . . . . 75 ARG HB2 . 51147 1 527 . 1 . 1 75 75 ARG HB3 H 1 1.676 0.020 . 2 . . . . . 75 ARG HB3 . 51147 1 528 . 1 . 1 75 75 ARG C C 13 175.635 0.3 . 1 . . . . . 75 ARG C . 51147 1 529 . 1 . 1 75 75 ARG CA C 13 55.862 0.3 . 1 . . . . . 75 ARG CA . 51147 1 530 . 1 . 1 75 75 ARG CB C 13 31.063 0.3 . 1 . . . . . 75 ARG CB . 51147 1 531 . 1 . 1 75 75 ARG N N 15 122.679 0.3 . 1 . . . . . 75 ARG N . 51147 1 532 . 1 . 1 76 76 LYS H H 1 8.291 0.020 . 1 . . . . . 76 LYS H . 51147 1 533 . 1 . 1 76 76 LYS HA H 1 4.200 0.020 . 1 . . . . . 76 LYS HA . 51147 1 534 . 1 . 1 76 76 LYS HB2 H 1 1.831 0.020 . 2 . . . . . 76 LYS HB2 . 51147 1 535 . 1 . 1 76 76 LYS HB3 H 1 1.747 0.020 . 2 . . . . . 76 LYS HB3 . 51147 1 536 . 1 . 1 76 76 LYS C C 13 176.966 0.3 . 1 . . . . . 76 LYS C . 51147 1 537 . 1 . 1 76 76 LYS CA C 13 56.649 0.3 . 1 . . . . . 76 LYS CA . 51147 1 538 . 1 . 1 76 76 LYS CB C 13 33.002 0.3 . 1 . . . . . 76 LYS CB . 51147 1 539 . 1 . 1 76 76 LYS N N 15 122.513 0.3 . 1 . . . . . 76 LYS N . 51147 1 540 . 1 . 1 77 77 GLY H H 1 8.428 0.020 . 1 . . . . . 77 GLY H . 51147 1 541 . 1 . 1 77 77 GLY HA2 H 1 3.976 0.020 . 2 . . . . . 77 GLY HA2 . 51147 1 542 . 1 . 1 77 77 GLY HA3 H 1 3.944 0.020 . 2 . . . . . 77 GLY HA3 . 51147 1 543 . 1 . 1 77 77 GLY C C 13 173.659 0.3 . 1 . . . . . 77 GLY C . 51147 1 544 . 1 . 1 77 77 GLY CA C 13 45.175 0.3 . 1 . . . . . 77 GLY CA . 51147 1 545 . 1 . 1 77 77 GLY N N 15 110.214 0.3 . 1 . . . . . 77 GLY N . 51147 1 546 . 1 . 1 78 78 VAL H H 1 7.873 0.020 . 1 . . . . . 78 VAL H . 51147 1 547 . 1 . 1 78 78 VAL HA H 1 4.444 0.020 . 1 . . . . . 78 VAL HA . 51147 1 548 . 1 . 1 78 78 VAL C C 13 174.441 0.3 . 1 . . . . . 78 VAL C . 51147 1 549 . 1 . 1 78 78 VAL CA C 13 59.608 0.3 . 1 . . . . . 78 VAL CA . 51147 1 550 . 1 . 1 78 78 VAL CB C 13 32.645 0.3 . 1 . . . . . 78 VAL CB . 51147 1 551 . 1 . 1 78 78 VAL N N 15 119.988 0.3 . 1 . . . . . 78 VAL N . 51147 1 552 . 1 . 1 79 79 PRO HA H 1 4.431 0.020 . 1 . . . . . 79 PRO HA . 51147 1 553 . 1 . 1 79 79 PRO HB2 H 1 2.233 0.020 . 2 . . . . . 79 PRO HB2 . 51147 1 554 . 1 . 1 79 79 PRO HB3 H 1 1.842 0.020 . 2 . . . . . 79 PRO HB3 . 51147 1 555 . 1 . 1 79 79 PRO C C 13 176.244 0.3 . 1 . . . . . 79 PRO C . 51147 1 556 . 1 . 1 79 79 PRO CA C 13 63.163 0.3 . 1 . . . . . 79 PRO CA . 51147 1 557 . 1 . 1 79 79 PRO CB C 13 31.993 0.3 . 1 . . . . . 79 PRO CB . 51147 1 558 . 1 . 1 80 80 ASN H H 1 8.478 0.020 . 1 . . . . . 80 ASN H . 51147 1 559 . 1 . 1 80 80 ASN HA H 1 4.909 0.020 . 1 . . . . . 80 ASN HA . 51147 1 560 . 1 . 1 80 80 ASN C C 13 173.759 0.3 . 1 . . . . . 80 ASN C . 51147 1 561 . 1 . 1 80 80 ASN CA C 13 51.185 0.3 . 1 . . . . . 80 ASN CA . 51147 1 562 . 1 . 1 80 80 ASN CB C 13 38.911 0.3 . 1 . . . . . 80 ASN CB . 51147 1 563 . 1 . 1 80 80 ASN N N 15 120.016 0.3 . 1 . . . . . 80 ASN N . 51147 1 564 . 1 . 1 81 81 PRO HA H 1 4.413 0.020 . 1 . . . . . 81 PRO HA . 51147 1 565 . 1 . 1 81 81 PRO HB2 H 1 2.283 0.020 . 2 . . . . . 81 PRO HB2 . 51147 1 566 . 1 . 1 81 81 PRO HB3 H 1 1.942 0.020 . 2 . . . . . 81 PRO HB3 . 51147 1 567 . 1 . 1 81 81 PRO C C 13 174.776 0.3 . 1 . . . . . 81 PRO C . 51147 1 568 . 1 . 1 81 81 PRO CA C 13 63.974 0.3 . 1 . . . . . 81 PRO CA . 51147 1 569 . 1 . 1 81 81 PRO CB C 13 32.103 0.3 . 1 . . . . . 81 PRO CB . 51147 1 570 . 1 . 1 82 82 ILE H H 1 8.033 0.020 . 1 . . . . . 82 ILE H . 51147 1 571 . 1 . 1 82 82 ILE HA H 1 4.049 0.020 . 1 . . . . . 82 ILE HA . 51147 1 572 . 1 . 1 82 82 ILE HB H 1 1.862 0.020 . 1 . . . . . 82 ILE HB . 51147 1 573 . 1 . 1 82 82 ILE C C 13 176.327 0.3 . 1 . . . . . 82 ILE C . 51147 1 574 . 1 . 1 82 82 ILE CA C 13 61.899 0.3 . 1 . . . . . 82 ILE CA . 51147 1 575 . 1 . 1 82 82 ILE CB C 13 38.423 0.3 . 1 . . . . . 82 ILE CB . 51147 1 576 . 1 . 1 82 82 ILE N N 15 118.702 0.3 . 1 . . . . . 82 ILE N . 51147 1 577 . 1 . 1 83 83 ASP H H 1 8.077 0.020 . 1 . . . . . 83 ASP H . 51147 1 578 . 1 . 1 83 83 ASP HA H 1 4.592 0.020 . 1 . . . . . 83 ASP HA . 51147 1 579 . 1 . 1 83 83 ASP HB2 H 1 2.743 0.020 . 2 . . . . . 83 ASP HB2 . 51147 1 580 . 1 . 1 83 83 ASP HB3 H 1 2.655 0.020 . 2 . . . . . 83 ASP HB3 . 51147 1 581 . 1 . 1 83 83 ASP C C 13 176.668 0.3 . 1 . . . . . 83 ASP C . 51147 1 582 . 1 . 1 83 83 ASP CA C 13 54.716 0.3 . 1 . . . . . 83 ASP CA . 51147 1 583 . 1 . 1 83 83 ASP CB C 13 40.740 0.3 . 1 . . . . . 83 ASP CB . 51147 1 584 . 1 . 1 83 83 ASP N N 15 122.218 0.3 . 1 . . . . . 83 ASP N . 51147 1 585 . 1 . 1 84 84 LEU H H 1 7.954 0.020 . 1 . . . . . 84 LEU H . 51147 1 586 . 1 . 1 84 84 LEU HA H 1 4.390 0.020 . 1 . . . . . 84 LEU HA . 51147 1 587 . 1 . 1 84 84 LEU HB2 H 1 1.628 0.020 . 1 . . . . . 84 LEU HB2 . 51147 1 588 . 1 . 1 84 84 LEU C C 13 177.841 0.3 . 1 . . . . . 84 LEU C . 51147 1 589 . 1 . 1 84 84 LEU CA C 13 55.970 0.3 . 1 . . . . . 84 LEU CA . 51147 1 590 . 1 . 1 84 84 LEU CB C 13 42.258 0.3 . 1 . . . . . 84 LEU CB . 51147 1 591 . 1 . 1 84 84 LEU N N 15 121.572 0.3 . 1 . . . . . 84 LEU N . 51147 1 592 . 1 . 1 85 85 LEU H H 1 8.026 0.020 . 1 . . . . . 85 LEU H . 51147 1 593 . 1 . 1 85 85 LEU HA H 1 4.304 0.020 . 1 . . . . . 85 LEU HA . 51147 1 594 . 1 . 1 85 85 LEU HB2 H 1 1.540 0.020 . 2 . . . . . 85 LEU HB2 . 51147 1 595 . 1 . 1 85 85 LEU HB3 H 1 1.501 0.020 . 2 . . . . . 85 LEU HB3 . 51147 1 596 . 1 . 1 85 85 LEU C C 13 177.936 0.3 . 1 . . . . . 85 LEU C . 51147 1 597 . 1 . 1 85 85 LEU CA C 13 55.954 0.3 . 1 . . . . . 85 LEU CA . 51147 1 598 . 1 . 1 85 85 LEU CB C 13 41.969 0.3 . 1 . . . . . 85 LEU CB . 51147 1 599 . 1 . 1 85 85 LEU N N 15 121.238 0.3 . 1 . . . . . 85 LEU N . 51147 1 600 . 1 . 1 86 86 GLU H H 1 8.205 0.020 . 1 . . . . . 86 GLU H . 51147 1 601 . 1 . 1 86 86 GLU HB2 H 1 1.937 0.020 . 2 . . . . . 86 GLU HB2 . 51147 1 602 . 1 . 1 86 86 GLU HB3 H 1 1.964 0.020 . 2 . . . . . 86 GLU HB3 . 51147 1 603 . 1 . 1 86 86 GLU C C 13 176.867 0.3 . 1 . . . . . 86 GLU C . 51147 1 604 . 1 . 1 86 86 GLU CA C 13 57.090 0.3 . 1 . . . . . 86 GLU CA . 51147 1 605 . 1 . 1 86 86 GLU CB C 13 29.463 0.3 . 1 . . . . . 86 GLU CB . 51147 1 606 . 1 . 1 86 86 GLU N N 15 119.926 0.3 . 1 . . . . . 86 GLU N . 51147 1 607 . 1 . 1 87 87 SER H H 1 8.180 0.020 . 1 . . . . . 87 SER H . 51147 1 608 . 1 . 1 87 87 SER HA H 1 4.415 0.020 . 1 . . . . . 87 SER HA . 51147 1 609 . 1 . 1 87 87 SER HB2 H 1 3.938 0.020 . 2 . . . . . 87 SER HB2 . 51147 1 610 . 1 . 1 87 87 SER HB3 H 1 3.858 0.020 . 2 . . . . . 87 SER HB3 . 51147 1 611 . 1 . 1 87 87 SER C C 13 172.602 0.3 . 1 . . . . . 87 SER C . 51147 1 612 . 1 . 1 87 87 SER CA C 13 59.248 0.3 . 1 . . . . . 87 SER CA . 51147 1 613 . 1 . 1 87 87 SER CB C 13 63.601 0.3 . 1 . . . . . 87 SER CB . 51147 1 614 . 1 . 1 87 87 SER N N 15 115.420 0.3 . 1 . . . . . 87 SER N . 51147 1 615 . 1 . 1 88 88 THR H H 1 8.054 0.020 . 1 . . . . . 88 THR H . 51147 1 616 . 1 . 1 88 88 THR HA H 1 4.199 0.020 . 1 . . . . . 88 THR HA . 51147 1 617 . 1 . 1 88 88 THR HB H 1 4.229 0.020 . 1 . . . . . 88 THR HB . 51147 1 618 . 1 . 1 88 88 THR C C 13 174.841 0.3 . 1 . . . . . 88 THR C . 51147 1 619 . 1 . 1 88 88 THR CA C 13 62.713 0.3 . 1 . . . . . 88 THR CA . 51147 1 620 . 1 . 1 88 88 THR CB C 13 69.520 0.3 . 1 . . . . . 88 THR CB . 51147 1 621 . 1 . 1 88 88 THR N N 15 115.396 0.3 . 1 . . . . . 88 THR N . 51147 1 622 . 1 . 1 89 89 LEU H H 1 7.984 0.020 . 1 . . . . . 89 LEU H . 51147 1 623 . 1 . 1 89 89 LEU HA H 1 4.182 0.020 . 1 . . . . . 89 LEU HA . 51147 1 624 . 1 . 1 89 89 LEU HB2 H 1 1.499 0.020 . 2 . . . . . 89 LEU HB2 . 51147 1 625 . 1 . 1 89 89 LEU HB3 H 1 1.372 0.020 . 2 . . . . . 89 LEU HB3 . 51147 1 626 . 1 . 1 89 89 LEU C C 13 177.265 0.3 . 1 . . . . . 89 LEU C . 51147 1 627 . 1 . 1 89 89 LEU CA C 13 55.804 0.3 . 1 . . . . . 89 LEU CA . 51147 1 628 . 1 . 1 89 89 LEU CB C 13 42.178 0.3 . 1 . . . . . 89 LEU CB . 51147 1 629 . 1 . 1 89 89 LEU N N 15 123.197 0.3 . 1 . . . . . 89 LEU N . 51147 1 630 . 1 . 1 90 90 TYR H H 1 7.982 0.020 . 1 . . . . . 90 TYR H . 51147 1 631 . 1 . 1 90 90 TYR HA H 1 4.479 0.020 . 1 . . . . . 90 TYR HA . 51147 1 632 . 1 . 1 90 90 TYR C C 13 175.997 0.3 . 1 . . . . . 90 TYR C . 51147 1 633 . 1 . 1 90 90 TYR CA C 13 58.070 0.3 . 1 . . . . . 90 TYR CA . 51147 1 634 . 1 . 1 90 90 TYR CB C 13 38.754 0.3 . 1 . . . . . 90 TYR CB . 51147 1 635 . 1 . 1 90 90 TYR N N 15 119.481 0.3 . 1 . . . . . 90 TYR N . 51147 1 636 . 1 . 1 91 91 GLU H H 1 8.172 0.020 . 1 . . . . . 91 GLU H . 51147 1 637 . 1 . 1 91 91 GLU HA H 1 4.283 0.020 . 1 . . . . . 91 GLU HA . 51147 1 638 . 1 . 1 91 91 GLU C C 13 176.285 0.3 . 1 . . . . . 91 GLU C . 51147 1 639 . 1 . 1 91 91 GLU CA C 13 56.543 0.3 . 1 . . . . . 91 GLU CA . 51147 1 640 . 1 . 1 91 91 GLU CB C 13 29.925 0.3 . 1 . . . . . 91 GLU CB . 51147 1 641 . 1 . 1 91 91 GLU N N 15 121.419 0.3 . 1 . . . . . 91 GLU N . 51147 1 642 . 1 . 1 92 92 SER H H 1 8.247 0.020 . 1 . . . . . 92 SER H . 51147 1 643 . 1 . 1 92 92 SER HA H 1 4.462 0.020 . 1 . . . . . 92 SER HA . 51147 1 644 . 1 . 1 92 92 SER HB2 H 1 3.871 0.020 . 2 . . . . . 92 SER HB2 . 51147 1 645 . 1 . 1 92 92 SER HB3 H 1 3.927 0.020 . 2 . . . . . 92 SER HB3 . 51147 1 646 . 1 . 1 92 92 SER C C 13 176.285 0.3 . 1 . . . . . 92 SER C . 51147 1 647 . 1 . 1 92 92 SER CA C 13 58.587 0.3 . 1 . . . . . 92 SER CA . 51147 1 648 . 1 . 1 92 92 SER CB C 13 63.821 0.3 . 1 . . . . . 92 SER CB . 51147 1 649 . 1 . 1 92 92 SER N N 15 116.067 0.3 . 1 . . . . . 92 SER N . 51147 1 650 . 1 . 1 93 93 SER H H 1 8.257 0.020 . 1 . . . . . 93 SER H . 51147 1 651 . 1 . 1 93 93 SER HA H 1 4.456 0.020 . 1 . . . . . 93 SER HA . 51147 1 652 . 1 . 1 93 93 SER C C 13 171.643 0.3 . 1 . . . . . 93 SER C . 51147 1 653 . 1 . 1 93 93 SER CA C 13 58.531 0.3 . 1 . . . . . 93 SER CA . 51147 1 654 . 1 . 1 93 93 SER CB C 13 63.785 0.3 . 1 . . . . . 93 SER CB . 51147 1 655 . 1 . 1 93 93 SER N N 15 117.419 0.3 . 1 . . . . . 93 SER N . 51147 1 656 . 1 . 1 94 94 VAL H H 1 8.008 0.020 . 1 . . . . . 94 VAL H . 51147 1 657 . 1 . 1 94 94 VAL HA H 1 4.138 0.020 . 1 . . . . . 94 VAL HA . 51147 1 658 . 1 . 1 94 94 VAL C C 13 175.880 0.3 . 1 . . . . . 94 VAL C . 51147 1 659 . 1 . 1 94 94 VAL CA C 13 62.415 0.3 . 1 . . . . . 94 VAL CA . 51147 1 660 . 1 . 1 94 94 VAL CB C 13 32.597 0.3 . 1 . . . . . 94 VAL CB . 51147 1 661 . 1 . 1 94 94 VAL N N 15 121.185 0.3 . 1 . . . . . 94 VAL N . 51147 1 662 . 1 . 1 95 95 VAL H H 1 8.130 0.020 . 1 . . . . . 95 VAL H . 51147 1 663 . 1 . 1 95 95 VAL HA H 1 4.413 0.020 . 1 . . . . . 95 VAL HA . 51147 1 664 . 1 . 1 95 95 VAL C C 13 174.392 0.3 . 1 . . . . . 95 VAL C . 51147 1 665 . 1 . 1 95 95 VAL CA C 13 59.790 0.3 . 1 . . . . . 95 VAL CA . 51147 1 666 . 1 . 1 95 95 VAL CB C 13 32.614 0.3 . 1 . . . . . 95 VAL CB . 51147 1 667 . 1 . 1 95 95 VAL N N 15 125.172 0.3 . 1 . . . . . 95 VAL N . 51147 1 668 . 1 . 1 96 96 PRO HA H 1 4.430 0.020 . 1 . . . . . 96 PRO HA . 51147 1 669 . 1 . 1 96 96 PRO HB2 H 1 2.295 0.020 . 2 . . . . . 96 PRO HB2 . 51147 1 670 . 1 . 1 96 96 PRO HB3 H 1 1.942 0.020 . 2 . . . . . 96 PRO HB3 . 51147 1 671 . 1 . 1 96 96 PRO C C 13 177.081 0.3 . 1 . . . . . 96 PRO C . 51147 1 672 . 1 . 1 96 96 PRO CA C 13 63.268 0.3 . 1 . . . . . 96 PRO CA . 51147 1 673 . 1 . 1 96 96 PRO CB C 13 32.219 0.3 . 1 . . . . . 96 PRO CB . 51147 1 674 . 1 . 1 97 97 GLY H H 1 8.209 0.020 . 1 . . . . . 97 GLY H . 51147 1 675 . 1 . 1 97 97 GLY HA2 H 1 4.149 0.020 . 2 . . . . . 97 GLY HA2 . 51147 1 676 . 1 . 1 97 97 GLY HA3 H 1 4.024 0.020 . 2 . . . . . 97 GLY HA3 . 51147 1 677 . 1 . 1 97 97 GLY C C 13 171.745 0.3 . 1 . . . . . 97 GLY C . 51147 1 678 . 1 . 1 97 97 GLY CA C 13 44.557 0.3 . 1 . . . . . 97 GLY CA . 51147 1 679 . 1 . 1 97 97 GLY N N 15 109.008 0.3 . 1 . . . . . 97 GLY N . 51147 1 680 . 1 . 1 98 98 PRO HA H 1 4.493 0.020 . 1 . . . . . 98 PRO HA . 51147 1 681 . 1 . 1 98 98 PRO C C 13 177.075 0.3 . 1 . . . . . 98 PRO C . 51147 1 682 . 1 . 1 98 98 PRO CA C 13 63.139 0.3 . 1 . . . . . 98 PRO CA . 51147 1 683 . 1 . 1 98 98 PRO CB C 13 32.276 0.3 . 1 . . . . . 98 PRO CB . 51147 1 684 . 1 . 1 99 99 LYS H H 1 8.388 0.020 . 1 . . . . . 99 LYS H . 51147 1 685 . 1 . 1 99 99 LYS HA H 1 4.287 0.020 . 1 . . . . . 99 LYS HA . 51147 1 686 . 1 . 1 99 99 LYS C C 13 176.528 0.3 . 1 . . . . . 99 LYS C . 51147 1 687 . 1 . 1 99 99 LYS CA C 13 56.220 0.3 . 1 . . . . . 99 LYS CA . 51147 1 688 . 1 . 1 99 99 LYS CB C 13 33.022 0.3 . 1 . . . . . 99 LYS CB . 51147 1 689 . 1 . 1 99 99 LYS N N 15 121.377 0.3 . 1 . . . . . 99 LYS N . 51147 1 690 . 1 . 1 100 100 LYS H H 1 8.283 0.020 . 1 . . . . . 100 LYS H . 51147 1 691 . 1 . 1 100 100 LYS HA H 1 4.245 0.020 . 1 . . . . . 100 LYS HA . 51147 1 692 . 1 . 1 100 100 LYS HB2 H 1 1.798 0.020 . 2 . . . . . 100 LYS HB2 . 51147 1 693 . 1 . 1 100 100 LYS HB3 H 1 1.709 0.020 . 2 . . . . . 100 LYS HB3 . 51147 1 694 . 1 . 1 100 100 LYS C C 13 175.767 0.3 . 1 . . . . . 100 LYS C . 51147 1 695 . 1 . 1 100 100 LYS CA C 13 55.912 0.3 . 1 . . . . . 100 LYS CA . 51147 1 696 . 1 . 1 100 100 LYS CB C 13 33.306 0.3 . 1 . . . . . 100 LYS CB . 51147 1 697 . 1 . 1 100 100 LYS N N 15 122.914 0.3 . 1 . . . . . 100 LYS N . 51147 1 698 . 1 . 1 101 101 ALA H H 1 8.367 0.020 . 1 . . . . . 101 ALA H . 51147 1 699 . 1 . 1 101 101 ALA HA H 1 4.569 0.020 . 1 . . . . . 101 ALA HA . 51147 1 700 . 1 . 1 101 101 ALA C C 13 175.569 0.3 . 1 . . . . . 101 ALA C . 51147 1 701 . 1 . 1 101 101 ALA CA C 13 50.488 0.3 . 1 . . . . . 101 ALA CA . 51147 1 702 . 1 . 1 101 101 ALA CB C 13 18.254 0.3 . 1 . . . . . 101 ALA CB . 51147 1 703 . 1 . 1 101 101 ALA N N 15 126.938 0.3 . 1 . . . . . 101 ALA N . 51147 1 704 . 1 . 1 102 102 PRO HA H 1 4.426 0.020 . 1 . . . . . 102 PRO HA . 51147 1 705 . 1 . 1 102 102 PRO HB2 H 1 2.293 0.020 . 2 . . . . . 102 PRO HB2 . 51147 1 706 . 1 . 1 102 102 PRO HB3 H 1 1.928 0.020 . 2 . . . . . 102 PRO HB3 . 51147 1 707 . 1 . 1 102 102 PRO C C 13 177.219 0.3 . 1 . . . . . 102 PRO C . 51147 1 708 . 1 . 1 102 102 PRO CA C 13 63.281 0.3 . 1 . . . . . 102 PRO CA . 51147 1 709 . 1 . 1 102 102 PRO CB C 13 32.006 0.3 . 1 . . . . . 102 PRO CB . 51147 1 710 . 1 . 1 103 103 MET H H 1 8.433 0.020 . 1 . . . . . 103 MET H . 51147 1 711 . 1 . 1 103 103 MET HA H 1 4.378 0.020 . 1 . . . . . 103 MET HA . 51147 1 712 . 1 . 1 103 103 MET HB2 H 1 2.073 0.020 . 2 . . . . . 103 MET HB2 . 51147 1 713 . 1 . 1 103 103 MET HB3 H 1 2.059 0.020 . 2 . . . . . 103 MET HB3 . 51147 1 714 . 1 . 1 103 103 MET C C 13 176.114 0.3 . 1 . . . . . 103 MET C . 51147 1 715 . 1 . 1 103 103 MET CA C 13 55.849 0.3 . 1 . . . . . 103 MET CA . 51147 1 716 . 1 . 1 103 103 MET CB C 13 32.790 0.3 . 1 . . . . . 103 MET CB . 51147 1 717 . 1 . 1 103 103 MET N N 15 119.729 0.3 . 1 . . . . . 103 MET N . 51147 1 718 . 1 . 1 104 104 ASP H H 1 8.286 0.020 . 1 . . . . . 104 ASP H . 51147 1 719 . 1 . 1 104 104 ASP HA H 1 4.592 0.020 . 1 . . . . . 104 ASP HA . 51147 1 720 . 1 . 1 104 104 ASP HB2 H 1 2.747 0.020 . 2 . . . . . 104 ASP HB2 . 51147 1 721 . 1 . 1 104 104 ASP HB3 H 1 2.686 0.020 . 2 . . . . . 104 ASP HB3 . 51147 1 722 . 1 . 1 104 104 ASP C C 13 176.329 0.3 . 1 . . . . . 104 ASP C . 51147 1 723 . 1 . 1 104 104 ASP CA C 13 54.546 0.3 . 1 . . . . . 104 ASP CA . 51147 1 724 . 1 . 1 104 104 ASP CB C 13 41.037 0.3 . 1 . . . . . 104 ASP CB . 51147 1 725 . 1 . 1 104 104 ASP N N 15 120.613 0.3 . 1 . . . . . 104 ASP N . 51147 1 726 . 1 . 1 105 105 SER H H 1 8.169 0.020 . 1 . . . . . 105 SER H . 51147 1 727 . 1 . 1 105 105 SER HA H 1 4.482 0.020 . 1 . . . . . 105 SER HA . 51147 1 728 . 1 . 1 105 105 SER C C 13 174.575 0.3 . 1 . . . . . 105 SER C . 51147 1 729 . 1 . 1 105 105 SER CA C 13 58.733 0.3 . 1 . . . . . 105 SER CA . 51147 1 730 . 1 . 1 105 105 SER CB C 13 63.748 0.3 . 1 . . . . . 105 SER CB . 51147 1 731 . 1 . 1 105 105 SER N N 15 115.478 0.3 . 1 . . . . . 105 SER N . 51147 1 732 . 1 . 1 106 106 LEU H H 1 8.118 0.020 . 1 . . . . . 106 LEU H . 51147 1 733 . 1 . 1 106 106 LEU HA H 1 4.247 0.020 . 1 . . . . . 106 LEU HA . 51147 1 734 . 1 . 1 106 106 LEU HB2 H 1 1.503 0.020 . 2 . . . . . 106 LEU HB2 . 51147 1 735 . 1 . 1 106 106 LEU HB3 H 1 1.379 0.020 . 2 . . . . . 106 LEU HB3 . 51147 1 736 . 1 . 1 106 106 LEU C C 13 177.050 0.3 . 1 . . . . . 106 LEU C . 51147 1 737 . 1 . 1 106 106 LEU CA C 13 55.556 0.3 . 1 . . . . . 106 LEU CA . 51147 1 738 . 1 . 1 106 106 LEU CB C 13 42.174 0.3 . 1 . . . . . 106 LEU CB . 51147 1 739 . 1 . 1 106 106 LEU N N 15 123.035 0.3 . 1 . . . . . 106 LEU N . 51147 1 740 . 1 . 1 107 107 PHE H H 1 7.956 0.020 . 1 . . . . . 107 PHE H . 51147 1 741 . 1 . 1 107 107 PHE HA H 1 4.627 0.020 . 1 . . . . . 107 PHE HA . 51147 1 742 . 1 . 1 107 107 PHE HB2 H 1 2.978 0.020 . 2 . . . . . 107 PHE HB2 . 51147 1 743 . 1 . 1 107 107 PHE HB3 H 1 2.864 0.020 . 2 . . . . . 107 PHE HB3 . 51147 1 744 . 1 . 1 107 107 PHE C C 13 172.429 0.3 . 1 . . . . . 107 PHE C . 51147 1 745 . 1 . 1 107 107 PHE CA C 13 57.739 0.3 . 1 . . . . . 107 PHE CA . 51147 1 746 . 1 . 1 107 107 PHE CB C 13 39.745 0.3 . 1 . . . . . 107 PHE CB . 51147 1 747 . 1 . 1 107 107 PHE N N 15 119.403 0.3 . 1 . . . . . 107 PHE N . 51147 1 748 . 1 . 1 108 108 ASP H H 1 8.035 0.020 . 1 . . . . . 108 ASP H . 51147 1 749 . 1 . 1 108 108 ASP HA H 1 4.603 0.020 . 1 . . . . . 108 ASP HA . 51147 1 750 . 1 . 1 108 108 ASP HB2 H 1 2.735 0.020 . 2 . . . . . 108 ASP HB2 . 51147 1 751 . 1 . 1 108 108 ASP HB3 H 1 2.533 0.020 . 2 . . . . . 108 ASP HB3 . 51147 1 752 . 1 . 1 108 108 ASP C C 13 175.825 0.3 . 1 . . . . . 108 ASP C . 51147 1 753 . 1 . 1 108 108 ASP CA C 13 53.742 0.3 . 1 . . . . . 108 ASP CA . 51147 1 754 . 1 . 1 108 108 ASP CB C 13 40.959 0.3 . 1 . . . . . 108 ASP CB . 51147 1 755 . 1 . 1 108 108 ASP N N 15 121.451 0.3 . 1 . . . . . 108 ASP N . 51147 1 756 . 1 . 1 109 109 TYR H H 1 8.140 0.020 . 1 . . . . . 109 TYR H . 51147 1 757 . 1 . 1 109 109 TYR HA H 1 4.455 0.020 . 1 . . . . . 109 TYR HA . 51147 1 758 . 1 . 1 109 109 TYR HB2 H 1 3.110 0.020 . 2 . . . . . 109 TYR HB2 . 51147 1 759 . 1 . 1 109 109 TYR HB3 H 1 2.941 0.020 . 2 . . . . . 109 TYR HB3 . 51147 1 760 . 1 . 1 109 109 TYR C C 13 176.734 0.3 . 1 . . . . . 109 TYR C . 51147 1 761 . 1 . 1 109 109 TYR CA C 13 58.935 0.3 . 1 . . . . . 109 TYR CA . 51147 1 762 . 1 . 1 109 109 TYR CB C 13 38.432 0.3 . 1 . . . . . 109 TYR CB . 51147 1 763 . 1 . 1 109 109 TYR N N 15 121.520 0.3 . 1 . . . . . 109 TYR N . 51147 1 764 . 1 . 1 110 110 GLY H H 1 8.431 0.020 . 1 . . . . . 110 GLY H . 51147 1 765 . 1 . 1 110 110 GLY HA2 H 1 3.959 0.020 . 2 . . . . . 110 GLY HA2 . 51147 1 766 . 1 . 1 110 110 GLY HA3 H 1 3.870 0.020 . 2 . . . . . 110 GLY HA3 . 51147 1 767 . 1 . 1 110 110 GLY C C 13 174.820 0.3 . 1 . . . . . 110 GLY C . 51147 1 768 . 1 . 1 110 110 GLY CA C 13 45.944 0.3 . 1 . . . . . 110 GLY CA . 51147 1 769 . 1 . 1 110 110 GLY N N 15 109.036 0.3 . 1 . . . . . 110 GLY N . 51147 1 770 . 1 . 1 111 111 THR H H 1 7.901 0.020 . 1 . . . . . 111 THR H . 51147 1 771 . 1 . 1 111 111 THR HA H 1 4.136 0.020 . 1 . . . . . 111 THR HA . 51147 1 772 . 1 . 1 111 111 THR HB H 1 4.106 0.020 . 1 . . . . . 111 THR HB . 51147 1 773 . 1 . 1 111 111 THR C C 13 174.698 0.3 . 1 . . . . . 111 THR C . 51147 1 774 . 1 . 1 111 111 THR CA C 13 62.665 0.3 . 1 . . . . . 111 THR CA . 51147 1 775 . 1 . 1 111 111 THR CB C 13 69.540 0.3 . 1 . . . . . 111 THR CB . 51147 1 776 . 1 . 1 111 111 THR N N 15 113.715 0.3 . 1 . . . . . 111 THR N . 51147 1 777 . 1 . 1 112 112 TYR H H 1 8.067 0.020 . 1 . . . . . 112 TYR H . 51147 1 778 . 1 . 1 112 112 TYR HA H 1 4.469 0.020 . 1 . . . . . 112 TYR HA . 51147 1 779 . 1 . 1 112 112 TYR C C 13 175.791 0.3 . 1 . . . . . 112 TYR C . 51147 1 780 . 1 . 1 112 112 TYR CA C 13 58.368 0.3 . 1 . . . . . 112 TYR CA . 51147 1 781 . 1 . 1 112 112 TYR CB C 13 38.439 0.3 . 1 . . . . . 112 TYR CB . 51147 1 782 . 1 . 1 112 112 TYR N N 15 121.675 0.3 . 1 . . . . . 112 TYR N . 51147 1 783 . 1 . 1 113 113 ARG H H 1 8.010 0.020 . 1 . . . . . 113 ARG H . 51147 1 784 . 1 . 1 113 113 ARG HA H 1 4.234 0.020 . 1 . . . . . 113 ARG HA . 51147 1 785 . 1 . 1 113 113 ARG HB2 H 1 1.675 0.020 . 2 . . . . . 113 ARG HB2 . 51147 1 786 . 1 . 1 113 113 ARG HB3 H 1 1.594 0.020 . 2 . . . . . 113 ARG HB3 . 51147 1 787 . 1 . 1 113 113 ARG C C 13 175.848 0.3 . 1 . . . . . 113 ARG C . 51147 1 788 . 1 . 1 113 113 ARG CA C 13 56.008 0.3 . 1 . . . . . 113 ARG CA . 51147 1 789 . 1 . 1 113 113 ARG CB C 13 30.573 0.3 . 1 . . . . . 113 ARG CB . 51147 1 790 . 1 . 1 113 113 ARG N N 15 121.289 0.3 . 1 . . . . . 113 ARG N . 51147 1 791 . 1 . 1 114 114 HIS H H 1 8.312 0.020 . 1 . . . . . 114 HIS H . 51147 1 792 . 1 . 1 114 114 HIS HA H 1 4.581 0.020 . 1 . . . . . 114 HIS HA . 51147 1 793 . 1 . 1 114 114 HIS HB2 H 1 3.186 0.020 . 2 . . . . . 114 HIS HB2 . 51147 1 794 . 1 . 1 114 114 HIS HB3 H 1 3.103 0.020 . 2 . . . . . 114 HIS HB3 . 51147 1 795 . 1 . 1 114 114 HIS C C 13 174.316 0.3 . 1 . . . . . 114 HIS C . 51147 1 796 . 1 . 1 114 114 HIS CA C 13 55.463 0.3 . 1 . . . . . 114 HIS CA . 51147 1 797 . 1 . 1 114 114 HIS CB C 13 28.921 0.3 . 1 . . . . . 114 HIS CB . 51147 1 798 . 1 . 1 114 114 HIS N N 15 118.795 0.3 . 1 . . . . . 114 HIS N . 51147 1 799 . 1 . 1 115 115 HIS H H 1 8.543 0.020 . 1 . . . . . 115 HIS H . 51147 1 800 . 1 . 1 115 115 HIS HA H 1 4.696 0.020 . 1 . . . . . 115 HIS HA . 51147 1 801 . 1 . 1 115 115 HIS HB2 H 1 3.179 0.020 . 2 . . . . . 115 HIS HB2 . 51147 1 802 . 1 . 1 115 115 HIS HB3 H 1 3.090 0.020 . 2 . . . . . 115 HIS HB3 . 51147 1 803 . 1 . 1 115 115 HIS C C 13 174.454 0.3 . 1 . . . . . 115 HIS C . 51147 1 804 . 1 . 1 115 115 HIS CA C 13 55.420 0.3 . 1 . . . . . 115 HIS CA . 51147 1 805 . 1 . 1 115 115 HIS CB C 13 29.231 0.3 . 1 . . . . . 115 HIS CB . 51147 1 806 . 1 . 1 115 115 HIS N N 15 120.059 0.3 . 1 . . . . . 115 HIS N . 51147 1 807 . 1 . 1 116 116 SER H H 1 8.477 0.020 . 1 . . . . . 116 SER H . 51147 1 808 . 1 . 1 116 116 SER HA H 1 4.453 0.020 . 1 . . . . . 116 SER HA . 51147 1 809 . 1 . 1 116 116 SER C C 13 172.363 0.3 . 1 . . . . . 116 SER C . 51147 1 810 . 1 . 1 116 116 SER CA C 13 58.604 0.3 . 1 . . . . . 116 SER CA . 51147 1 811 . 1 . 1 116 116 SER CB C 13 63.763 0.3 . 1 . . . . . 116 SER CB . 51147 1 812 . 1 . 1 116 116 SER N N 15 117.639 0.3 . 1 . . . . . 116 SER N . 51147 1 813 . 1 . 1 117 117 SER H H 1 8.227 0.020 . 1 . . . . . 117 SER H . 51147 1 814 . 1 . 1 117 117 SER HA H 1 4.412 0.020 . 1 . . . . . 117 SER HA . 51147 1 815 . 1 . 1 117 117 SER HB2 H 1 3.894 0.020 . 2 . . . . . 117 SER HB2 . 51147 1 816 . 1 . 1 117 117 SER HB3 H 1 3.913 0.020 . 2 . . . . . 117 SER HB3 . 51147 1 817 . 1 . 1 117 117 SER C C 13 174.313 0.3 . 1 . . . . . 117 SER C . 51147 1 818 . 1 . 1 117 117 SER CA C 13 58.731 0.3 . 1 . . . . . 117 SER CA . 51147 1 819 . 1 . 1 117 117 SER CB C 13 63.692 0.3 . 1 . . . . . 117 SER CB . 51147 1 820 . 1 . 1 117 117 SER N N 15 117.441 0.3 . 1 . . . . . 117 SER N . 51147 1 821 . 1 . 1 118 118 ASP H H 1 8.286 0.020 . 1 . . . . . 118 ASP H . 51147 1 822 . 1 . 1 118 118 ASP HA H 1 4.604 0.020 . 1 . . . . . 118 ASP HA . 51147 1 823 . 1 . 1 118 118 ASP HB2 H 1 2.734 0.020 . 2 . . . . . 118 ASP HB2 . 51147 1 824 . 1 . 1 118 118 ASP HB3 H 1 2.678 0.020 . 2 . . . . . 118 ASP HB3 . 51147 1 825 . 1 . 1 118 118 ASP C C 13 176.081 0.3 . 1 . . . . . 118 ASP C . 51147 1 826 . 1 . 1 118 118 ASP CA C 13 54.443 0.3 . 1 . . . . . 118 ASP CA . 51147 1 827 . 1 . 1 118 118 ASP CB C 13 41.080 0.3 . 1 . . . . . 118 ASP CB . 51147 1 828 . 1 . 1 118 118 ASP N N 15 121.884 0.3 . 1 . . . . . 118 ASP N . 51147 1 829 . 1 . 1 119 119 ASN H H 1 8.300 0.020 . 1 . . . . . 119 ASN H . 51147 1 830 . 1 . 1 119 119 ASN HA H 1 4.610 0.020 . 1 . . . . . 119 ASN HA . 51147 1 831 . 1 . 1 119 119 ASN HB2 H 1 2.799 0.020 . 2 . . . . . 119 ASN HB2 . 51147 1 832 . 1 . 1 119 119 ASN HB3 H 1 2.721 0.020 . 2 . . . . . 119 ASN HB3 . 51147 1 833 . 1 . 1 119 119 ASN C C 13 175.685 0.3 . 1 . . . . . 119 ASN C . 51147 1 834 . 1 . 1 119 119 ASN CA C 13 53.661 0.3 . 1 . . . . . 119 ASN CA . 51147 1 835 . 1 . 1 119 119 ASN CB C 13 38.708 0.3 . 1 . . . . . 119 ASN CB . 51147 1 836 . 1 . 1 119 119 ASN N N 15 119.198 0.3 . 1 . . . . . 119 ASN N . 51147 1 837 . 1 . 1 120 120 LYS H H 1 8.261 0.020 . 1 . . . . . 120 LYS H . 51147 1 838 . 1 . 1 120 120 LYS HA H 1 4.195 0.020 . 1 . . . . . 120 LYS HA . 51147 1 839 . 1 . 1 120 120 LYS HB2 H 1 1.736 0.020 . 2 . . . . . 120 LYS HB2 . 51147 1 840 . 1 . 1 120 120 LYS HB3 H 1 1.727 0.020 . 2 . . . . . 120 LYS HB3 . 51147 1 841 . 1 . 1 120 120 LYS C C 13 176.966 0.3 . 1 . . . . . 120 LYS C . 51147 1 842 . 1 . 1 120 120 LYS CA C 13 57.027 0.3 . 1 . . . . . 120 LYS CA . 51147 1 843 . 1 . 1 120 120 LYS CB C 13 32.544 0.3 . 1 . . . . . 120 LYS CB . 51147 1 844 . 1 . 1 120 120 LYS N N 15 120.871 0.3 . 1 . . . . . 120 LYS N . 51147 1 845 . 1 . 1 121 121 ARG H H 1 8.107 0.020 . 1 . . . . . 121 ARG H . 51147 1 846 . 1 . 1 121 121 ARG HA H 1 4.182 0.020 . 1 . . . . . 121 ARG HA . 51147 1 847 . 1 . 1 121 121 ARG HB2 H 1 1.658 0.020 . 2 . . . . . 121 ARG HB2 . 51147 1 848 . 1 . 1 121 121 ARG HB3 H 1 1.842 0.020 . 2 . . . . . 121 ARG HB3 . 51147 1 849 . 1 . 1 121 121 ARG C C 13 176.230 0.3 . 1 . . . . . 121 ARG C . 51147 1 850 . 1 . 1 121 121 ARG CA C 13 56.554 0.3 . 1 . . . . . 121 ARG CA . 51147 1 851 . 1 . 1 121 121 ARG CB C 13 30.424 0.3 . 1 . . . . . 121 ARG CB . 51147 1 852 . 1 . 1 121 121 ARG N N 15 120.299 0.3 . 1 . . . . . 121 ARG N . 51147 1 853 . 1 . 1 122 122 TRP H H 1 7.923 0.020 . 1 . . . . . 122 TRP H . 51147 1 854 . 1 . 1 122 122 TRP HA H 1 4.669 0.020 . 1 . . . . . 122 TRP HA . 51147 1 855 . 1 . 1 122 122 TRP HB2 H 1 3.282 0.020 . 2 . . . . . 122 TRP HB2 . 51147 1 856 . 1 . 1 122 122 TRP HB3 H 1 3.205 0.020 . 2 . . . . . 122 TRP HB3 . 51147 1 857 . 1 . 1 122 122 TRP C C 13 176.048 0.3 . 1 . . . . . 122 TRP C . 51147 1 858 . 1 . 1 122 122 TRP CA C 13 57.122 0.3 . 1 . . . . . 122 TRP CA . 51147 1 859 . 1 . 1 122 122 TRP CB C 13 29.534 0.3 . 1 . . . . . 122 TRP CB . 51147 1 860 . 1 . 1 122 122 TRP N N 15 120.757 0.3 . 1 . . . . . 122 TRP N . 51147 1 861 . 1 . 1 123 123 ARG H H 1 7.907 0.020 . 1 . . . . . 123 ARG H . 51147 1 862 . 1 . 1 123 123 ARG HA H 1 4.181 0.020 . 1 . . . . . 123 ARG HA . 51147 1 863 . 1 . 1 123 123 ARG HB2 H 1 1.764 0.020 . 2 . . . . . 123 ARG HB2 . 51147 1 864 . 1 . 1 123 123 ARG HB3 H 1 1.612 0.020 . 2 . . . . . 123 ARG HB3 . 51147 1 865 . 1 . 1 123 123 ARG C C 13 175.718 0.3 . 1 . . . . . 123 ARG C . 51147 1 866 . 1 . 1 123 123 ARG CA C 13 56.044 0.3 . 1 . . . . . 123 ARG CA . 51147 1 867 . 1 . 1 123 123 ARG CB C 13 31.070 0.3 . 1 . . . . . 123 ARG CB . 51147 1 868 . 1 . 1 123 123 ARG N N 15 122.139 0.3 . 1 . . . . . 123 ARG N . 51147 1 869 . 1 . 1 124 124 LYS H H 1 8.104 0.020 . 1 . . . . . 124 LYS H . 51147 1 870 . 1 . 1 124 124 LYS HA H 1 4.183 0.020 . 1 . . . . . 124 LYS HA . 51147 1 871 . 1 . 1 124 124 LYS C C 13 176.255 0.3 . 1 . . . . . 124 LYS C . 51147 1 872 . 1 . 1 124 124 LYS CA C 13 56.488 0.3 . 1 . . . . . 124 LYS CA . 51147 1 873 . 1 . 1 124 124 LYS CB C 13 33.167 0.3 . 1 . . . . . 124 LYS CB . 51147 1 874 . 1 . 1 124 124 LYS N N 15 122.307 0.3 . 1 . . . . . 124 LYS N . 51147 1 875 . 1 . 1 125 125 LYS H H 1 8.265 0.020 . 1 . . . . . 125 LYS H . 51147 1 876 . 1 . 1 125 125 LYS HA H 1 4.204 0.020 . 1 . . . . . 125 LYS HA . 51147 1 877 . 1 . 1 125 125 LYS C C 13 176.230 0.3 . 1 . . . . . 125 LYS C . 51147 1 878 . 1 . 1 125 125 LYS CA C 13 56.425 0.3 . 1 . . . . . 125 LYS CA . 51147 1 879 . 1 . 1 125 125 LYS CB C 13 33.140 0.3 . 1 . . . . . 125 LYS CB . 51147 1 880 . 1 . 1 125 125 LYS N N 15 123.100 0.3 . 1 . . . . . 125 LYS N . 51147 1 881 . 1 . 1 126 126 ILE H H 1 8.174 0.020 . 1 . . . . . 126 ILE H . 51147 1 882 . 1 . 1 126 126 ILE HA H 1 4.134 0.020 . 1 . . . . . 126 ILE HA . 51147 1 883 . 1 . 1 126 126 ILE HB H 1 1.821 0.020 . 1 . . . . . 126 ILE HB . 51147 1 884 . 1 . 1 126 126 ILE C C 13 175.999 0.3 . 1 . . . . . 126 ILE C . 51147 1 885 . 1 . 1 126 126 ILE CA C 13 60.999 0.3 . 1 . . . . . 126 ILE CA . 51147 1 886 . 1 . 1 126 126 ILE CB C 13 38.702 0.3 . 1 . . . . . 126 ILE CB . 51147 1 887 . 1 . 1 126 126 ILE N N 15 123.268 0.3 . 1 . . . . . 126 ILE N . 51147 1 888 . 1 . 1 127 127 ILE H H 1 8.235 0.020 . 1 . . . . . 127 ILE H . 51147 1 889 . 1 . 1 127 127 ILE HA H 1 4.149 0.020 . 1 . . . . . 127 ILE HA . 51147 1 890 . 1 . 1 127 127 ILE HB H 1 1.842 0.020 . 1 . . . . . 127 ILE HB . 51147 1 891 . 1 . 1 127 127 ILE C C 13 173.339 0.3 . 1 . . . . . 127 ILE C . 51147 1 892 . 1 . 1 127 127 ILE CA C 13 60.863 0.3 . 1 . . . . . 127 ILE CA . 51147 1 893 . 1 . 1 127 127 ILE CB C 13 38.510 0.3 . 1 . . . . . 127 ILE CB . 51147 1 894 . 1 . 1 127 127 ILE N N 15 125.644 0.3 . 1 . . . . . 127 ILE N . 51147 1 895 . 1 . 1 128 128 GLU H H 1 8.449 0.020 . 1 . . . . . 128 GLU H . 51147 1 896 . 1 . 1 128 128 GLU HA H 1 4.364 0.020 . 1 . . . . . 128 GLU HA . 51147 1 897 . 1 . 1 128 128 GLU C C 13 176.043 0.3 . 1 . . . . . 128 GLU C . 51147 1 898 . 1 . 1 128 128 GLU CA C 13 56.235 0.3 . 1 . . . . . 128 GLU CA . 51147 1 899 . 1 . 1 128 128 GLU CB C 13 30.351 0.3 . 1 . . . . . 128 GLU CB . 51147 1 900 . 1 . 1 128 128 GLU N N 15 125.849 0.3 . 1 . . . . . 128 GLU N . 51147 1 901 . 1 . 1 129 129 LYS H H 1 8.363 0.020 . 1 . . . . . 129 LYS H . 51147 1 902 . 1 . 1 129 129 LYS HA H 1 4.304 0.020 . 1 . . . . . 129 LYS HA . 51147 1 903 . 1 . 1 129 129 LYS C C 13 176.247 0.3 . 1 . . . . . 129 LYS C . 51147 1 904 . 1 . 1 129 129 LYS CA C 13 56.249 0.3 . 1 . . . . . 129 LYS CA . 51147 1 905 . 1 . 1 129 129 LYS CB C 13 33.094 0.3 . 1 . . . . . 129 LYS CB . 51147 1 906 . 1 . 1 129 129 LYS N N 15 122.853 0.3 . 1 . . . . . 129 LYS N . 51147 1 907 . 1 . 1 130 130 GLN H H 1 8.452 0.020 . 1 . . . . . 130 GLN H . 51147 1 908 . 1 . 1 130 130 GLN HA H 1 4.601 0.020 . 1 . . . . . 130 GLN HA . 51147 1 909 . 1 . 1 130 130 GLN C C 13 174.047 0.3 . 1 . . . . . 130 GLN C . 51147 1 910 . 1 . 1 130 130 GLN CA C 13 53.659 0.3 . 1 . . . . . 130 GLN CA . 51147 1 911 . 1 . 1 130 130 GLN CB C 13 28.856 0.3 . 1 . . . . . 130 GLN CB . 51147 1 912 . 1 . 1 130 130 GLN N N 15 122.863 0.3 . 1 . . . . . 130 GLN N . 51147 1 913 . 1 . 1 131 131 PRO HA H 1 4.423 0.020 . 1 . . . . . 131 PRO HA . 51147 1 914 . 1 . 1 131 131 PRO HB2 H 1 2.301 0.020 . 2 . . . . . 131 PRO HB2 . 51147 1 915 . 1 . 1 131 131 PRO HB3 H 1 1.910 0.020 . 2 . . . . . 131 PRO HB3 . 51147 1 916 . 1 . 1 131 131 PRO C C 13 176.804 0.3 . 1 . . . . . 131 PRO C . 51147 1 917 . 1 . 1 131 131 PRO CA C 13 63.144 0.3 . 1 . . . . . 131 PRO CA . 51147 1 918 . 1 . 1 131 131 PRO CB C 13 32.065 0.3 . 1 . . . . . 131 PRO CB . 51147 1 919 . 1 . 1 132 132 GLN H H 1 8.514 0.020 . 1 . . . . . 132 GLN H . 51147 1 920 . 1 . 1 132 132 GLN HA H 1 4.334 0.020 . 1 . . . . . 132 GLN HA . 51147 1 921 . 1 . 1 132 132 GLN HB2 H 1 2.032 0.020 . 2 . . . . . 132 GLN HB2 . 51147 1 922 . 1 . 1 132 132 GLN HB3 H 1 1.974 0.020 . 2 . . . . . 132 GLN HB3 . 51147 1 923 . 1 . 1 132 132 GLN C C 13 175.880 0.3 . 1 . . . . . 132 GLN C . 51147 1 924 . 1 . 1 132 132 GLN CA C 13 55.594 0.3 . 1 . . . . . 132 GLN CA . 51147 1 925 . 1 . 1 132 132 GLN CB C 13 29.742 0.3 . 1 . . . . . 132 GLN CB . 51147 1 926 . 1 . 1 132 132 GLN N N 15 120.702 0.3 . 1 . . . . . 132 GLN N . 51147 1 927 . 1 . 1 133 133 SER H H 1 8.415 0.020 . 1 . . . . . 133 SER H . 51147 1 928 . 1 . 1 133 133 SER HA H 1 4.282 0.020 . 1 . . . . . 133 SER HA . 51147 1 929 . 1 . 1 133 133 SER C C 13 175.880 0.3 . 1 . . . . . 133 SER C . 51147 1 930 . 1 . 1 133 133 SER CA C 13 56.470 0.3 . 1 . . . . . 133 SER CA . 51147 1 931 . 1 . 1 133 133 SER CB C 13 63.207 0.3 . 1 . . . . . 133 SER CB . 51147 1 932 . 1 . 1 133 133 SER N N 15 118.823 0.3 . 1 . . . . . 133 SER N . 51147 1 933 . 1 . 1 134 134 PRO HA H 1 4.427 0.020 . 1 . . . . . 134 PRO HA . 51147 1 934 . 1 . 1 134 134 PRO HB2 H 1 2.296 0.020 . 2 . . . . . 134 PRO HB2 . 51147 1 935 . 1 . 1 134 134 PRO HB3 H 1 1.909 0.020 . 2 . . . . . 134 PRO HB3 . 51147 1 936 . 1 . 1 134 134 PRO C C 13 176.777 0.3 . 1 . . . . . 134 PRO C . 51147 1 937 . 1 . 1 134 134 PRO CA C 13 63.230 0.3 . 1 . . . . . 134 PRO CA . 51147 1 938 . 1 . 1 134 134 PRO CB C 13 32.102 0.3 . 1 . . . . . 134 PRO CB . 51147 1 939 . 1 . 1 135 135 LYS H H 1 8.332 0.020 . 1 . . . . . 135 LYS H . 51147 1 940 . 1 . 1 135 135 LYS HA H 1 4.214 0.020 . 1 . . . . . 135 LYS HA . 51147 1 941 . 1 . 1 135 135 LYS HB2 H 1 1.807 0.020 . 2 . . . . . 135 LYS HB2 . 51147 1 942 . 1 . 1 135 135 LYS HB3 H 1 1.710 0.020 . 2 . . . . . 135 LYS HB3 . 51147 1 943 . 1 . 1 135 135 LYS C C 13 175.982 0.3 . 1 . . . . . 135 LYS C . 51147 1 944 . 1 . 1 135 135 LYS CA C 13 56.002 0.3 . 1 . . . . . 135 LYS CA . 51147 1 945 . 1 . 1 135 135 LYS CB C 13 33.145 0.3 . 1 . . . . . 135 LYS CB . 51147 1 946 . 1 . 1 135 135 LYS N N 15 121.638 0.3 . 1 . . . . . 135 LYS N . 51147 1 947 . 1 . 1 136 136 ALA H H 1 8.284 0.020 . 1 . . . . . 136 ALA H . 51147 1 948 . 1 . 1 136 136 ALA HA H 1 4.580 0.020 . 1 . . . . . 136 ALA HA . 51147 1 949 . 1 . 1 136 136 ALA C C 13 175.329 0.3 . 1 . . . . . 136 ALA C . 51147 1 950 . 1 . 1 136 136 ALA CA C 13 50.408 0.3 . 1 . . . . . 136 ALA CA . 51147 1 951 . 1 . 1 136 136 ALA CB C 13 18.188 0.3 . 1 . . . . . 136 ALA CB . 51147 1 952 . 1 . 1 136 136 ALA N N 15 126.962 0.3 . 1 . . . . . 136 ALA N . 51147 1 953 . 1 . 1 137 137 PRO HA H 1 4.292 0.020 . 1 . . . . . 137 PRO HA . 51147 1 954 . 1 . 1 137 137 PRO HB2 H 1 2.272 0.020 . 2 . . . . . 137 PRO HB2 . 51147 1 955 . 1 . 1 137 137 PRO HB3 H 1 1.890 0.020 . 2 . . . . . 137 PRO HB3 . 51147 1 956 . 1 . 1 137 137 PRO C C 13 176.292 0.3 . 1 . . . . . 137 PRO C . 51147 1 957 . 1 . 1 137 137 PRO CA C 13 62.767 0.3 . 1 . . . . . 137 PRO CA . 51147 1 958 . 1 . 1 137 137 PRO CB C 13 31.991 0.3 . 1 . . . . . 137 PRO CB . 51147 1 959 . 1 . 1 138 138 ALA H H 1 8.357 0.020 . 1 . . . . . 138 ALA H . 51147 1 960 . 1 . 1 138 138 ALA HA H 1 4.577 0.020 . 1 . . . . . 138 ALA HA . 51147 1 961 . 1 . 1 138 138 ALA C C 13 175.581 0.3 . 1 . . . . . 138 ALA C . 51147 1 962 . 1 . 1 138 138 ALA CA C 13 50.343 0.3 . 1 . . . . . 138 ALA CA . 51147 1 963 . 1 . 1 138 138 ALA CB C 13 18.114 0.3 . 1 . . . . . 138 ALA CB . 51147 1 964 . 1 . 1 138 138 ALA N N 15 125.668 0.3 . 1 . . . . . 138 ALA N . 51147 1 965 . 1 . 1 139 139 PRO HA H 1 4.418 0.020 . 1 . . . . . 139 PRO HA . 51147 1 966 . 1 . 1 139 139 PRO HB2 H 1 2.146 0.020 . 2 . . . . . 139 PRO HB2 . 51147 1 967 . 1 . 1 139 139 PRO HB3 H 1 1.878 0.020 . 2 . . . . . 139 PRO HB3 . 51147 1 968 . 1 . 1 139 139 PRO C C 13 176.714 0.3 . 1 . . . . . 139 PRO C . 51147 1 969 . 1 . 1 139 139 PRO CA C 13 62.813 0.3 . 1 . . . . . 139 PRO CA . 51147 1 970 . 1 . 1 139 139 PRO CB C 13 29.387 0.3 . 1 . . . . . 139 PRO CB . 51147 1 971 . 1 . 1 140 140 GLN H H 1 8.427 0.020 . 1 . . . . . 140 GLN H . 51147 1 972 . 1 . 1 140 140 GLN C C 13 173.645 0.3 . 1 . . . . . 140 GLN C . 51147 1 973 . 1 . 1 140 140 GLN CA C 13 53.431 0.3 . 1 . . . . . 140 GLN CA . 51147 1 974 . 1 . 1 140 140 GLN CB C 13 29.084 0.3 . 1 . . . . . 140 GLN CB . 51147 1 975 . 1 . 1 140 140 GLN N N 15 121.718 0.3 . 1 . . . . . 140 GLN N . 51147 1 976 . 1 . 1 143 143 PRO HA H 1 4.416 0.020 . 1 . . . . . 143 PRO HA . 51147 1 977 . 1 . 1 143 143 PRO HB2 H 1 2.261 0.020 . 2 . . . . . 143 PRO HB2 . 51147 1 978 . 1 . 1 143 143 PRO HB3 H 1 1.853 0.020 . 2 . . . . . 143 PRO HB3 . 51147 1 979 . 1 . 1 143 143 PRO C C 13 176.730 0.3 . 1 . . . . . 143 PRO C . 51147 1 980 . 1 . 1 143 143 PRO CA C 13 62.808 0.3 . 1 . . . . . 143 PRO CA . 51147 1 981 . 1 . 1 143 143 PRO CB C 13 31.988 0.3 . 1 . . . . . 143 PRO CB . 51147 1 982 . 1 . 1 144 144 ILE H H 1 8.146 0.020 . 1 . . . . . 144 ILE H . 51147 1 983 . 1 . 1 144 144 ILE HA H 1 4.105 0.020 . 1 . . . . . 144 ILE HA . 51147 1 984 . 1 . 1 144 144 ILE HB H 1 1.803 0.020 . 1 . . . . . 144 ILE HB . 51147 1 985 . 1 . 1 144 144 ILE C C 13 176.094 0.3 . 1 . . . . . 144 ILE C . 51147 1 986 . 1 . 1 144 144 ILE CA C 13 61.065 0.3 . 1 . . . . . 144 ILE CA . 51147 1 987 . 1 . 1 144 144 ILE CB C 13 38.713 0.3 . 1 . . . . . 144 ILE CB . 51147 1 988 . 1 . 1 144 144 ILE N N 15 120.923 0.3 . 1 . . . . . 144 ILE N . 51147 1 989 . 1 . 1 145 145 LEU H H 1 8.280 0.020 . 1 . . . . . 145 LEU H . 51147 1 990 . 1 . 1 145 145 LEU HA H 1 4.401 0.020 . 1 . . . . . 145 LEU HA . 51147 1 991 . 1 . 1 145 145 LEU HB2 H 1 1.611 0.020 . 2 . . . . . 145 LEU HB2 . 51147 1 992 . 1 . 1 145 145 LEU HB3 H 1 1.559 0.020 . 2 . . . . . 145 LEU HB3 . 51147 1 993 . 1 . 1 145 145 LEU C C 13 176.606 0.3 . 1 . . . . . 145 LEU C . 51147 1 994 . 1 . 1 145 145 LEU CA C 13 54.860 0.3 . 1 . . . . . 145 LEU CA . 51147 1 995 . 1 . 1 145 145 LEU CB C 13 42.582 0.3 . 1 . . . . . 145 LEU CB . 51147 1 996 . 1 . 1 145 145 LEU N N 15 127.107 0.3 . 1 . . . . . 145 LEU N . 51147 1 997 . 1 . 1 146 146 LYS H H 1 8.300 0.020 . 1 . . . . . 146 LYS H . 51147 1 998 . 1 . 1 146 146 LYS HA H 1 4.319 0.020 . 1 . . . . . 146 LYS HA . 51147 1 999 . 1 . 1 146 146 LYS HB2 H 1 1.791 0.020 . 2 . . . . . 146 LYS HB2 . 51147 1 1000 . 1 . 1 146 146 LYS HB3 H 1 1.664 0.020 . 2 . . . . . 146 LYS HB3 . 51147 1 1001 . 1 . 1 146 146 LYS C C 13 175.381 0.3 . 1 . . . . . 146 LYS C . 51147 1 1002 . 1 . 1 146 146 LYS CA C 13 56.188 0.3 . 1 . . . . . 146 LYS CA . 51147 1 1003 . 1 . 1 146 146 LYS CB C 13 33.056 0.3 . 1 . . . . . 146 LYS CB . 51147 1 1004 . 1 . 1 146 146 LYS N N 15 124.229 0.3 . 1 . . . . . 146 LYS N . 51147 1 1005 . 1 . 1 147 147 VAL H H 1 7.764 0.020 . 1 . . . . . 147 VAL H . 51147 1 1006 . 1 . 1 147 147 VAL HA H 1 4.048 0.020 . 1 . . . . . 147 VAL HA . 51147 1 1007 . 1 . 1 147 147 VAL C C 13 172.919 0.3 . 1 . . . . . 147 VAL C . 51147 1 1008 . 1 . 1 147 147 VAL CA C 13 63.492 0.3 . 1 . . . . . 147 VAL CA . 51147 1 1009 . 1 . 1 147 147 VAL CB C 13 33.056 0.3 . 1 . . . . . 147 VAL CB . 51147 1 1010 . 1 . 1 147 147 VAL N N 15 126.176 0.3 . 1 . . . . . 147 VAL N . 51147 1 stop_ save_