data_12014 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 12014 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for cyclophilin 1 from Trichomonas vaginalis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-11-22 _Entry.Accession_date 2017-11-26 _Entry.Last_release_date 2017-11-26 _Entry.Original_release_date 2017-11-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1.1.99 _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 'For further investigation of the interaction of cyclophilin 1 with Myb1 transcription factor using NMR' _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 Tesmine Martin . . . . 12014 2 Shu-Yi Wei . . . . 12014 3 Chinpan Chen . . . . 12014 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 12014 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 289 12014 '15N chemical shifts' 160 12014 '1H chemical shifts' 160 12014 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-12-11 . original BMRB . 12014 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 12014 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41598-018-23821-5 _Citation.PubMed_ID 29615721 _Citation.Full_citation . _Citation.Title ; Structural basis of interaction between dimeric cyclophilin 1 and Myb1 transcription factor in Trichomonas vaginalis. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 8 _Citation.Journal_issue 1 _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 5410 _Citation.Page_last 5410 _Citation.Year 2018 _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 Tesmine Martin . . . . 12014 1 2 Yuan-Chao Lou . . . . 12014 1 3 Chun-Chi Chou . . . . 12014 1 4 Shu-Yi Wei . . . . 12014 1 5 Sushant Sadotra . . . . 12014 1 6 Chao-Cheng Cho . . . . 12014 1 7 Meng-Hsuan Lin . . . . 12014 1 8 Jung-Hsiang Tai . . . . 12014 1 9 Chun-Hua Hsu . . . . 12014 1 10 Chinpan Chen . . . . 12014 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 12014 _Assembly.ID 1 _Assembly.Name 'TvCyP1 homodimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'protomer 1' 1 $TvCyP1 A . yes native yes no . . . 12014 1 2 'protomer 2' 1 $TvCyP1 B . yes native yes no . . . 12014 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TvCyP1 _Entity.Sf_category entity _Entity.Sf_framecode TvCyP1 _Entity.Entry_ID 12014 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TvCyP1 _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 ; GSMLKRPKTFFDISIRGDKV GKIVFELFNDIVPKTAENFR ALCTGEKGIGKSGMPLSYKG TMFHRIIPQFMIQGGDFTRF NGTGGESIYGMKFDDENFKV KHDKPGLLSMANAGPNTNGS QFFITTVETPWLDGHHCVFG QVIEGMDIVKQIESCGTESG RPRAMCMVTDCGEMK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 175 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _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_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 . GLY . 12014 1 2 . SER . 12014 1 3 1 MET . 12014 1 4 2 LEU . 12014 1 5 3 LYS . 12014 1 6 4 ARG . 12014 1 7 5 PRO . 12014 1 8 6 LYS . 12014 1 9 7 THR . 12014 1 10 8 PHE . 12014 1 11 9 PHE . 12014 1 12 10 ASP . 12014 1 13 11 ILE . 12014 1 14 12 SER . 12014 1 15 13 ILE . 12014 1 16 14 ARG . 12014 1 17 15 GLY . 12014 1 18 16 ASP . 12014 1 19 17 LYS . 12014 1 20 18 VAL . 12014 1 21 19 GLY . 12014 1 22 20 LYS . 12014 1 23 21 ILE . 12014 1 24 22 VAL . 12014 1 25 23 PHE . 12014 1 26 24 GLU . 12014 1 27 25 LEU . 12014 1 28 26 PHE . 12014 1 29 27 ASN . 12014 1 30 28 ASP . 12014 1 31 29 ILE . 12014 1 32 30 VAL . 12014 1 33 31 PRO . 12014 1 34 32 LYS . 12014 1 35 33 THR . 12014 1 36 34 ALA . 12014 1 37 35 GLU . 12014 1 38 36 ASN . 12014 1 39 37 PHE . 12014 1 40 38 ARG . 12014 1 41 39 ALA . 12014 1 42 40 LEU . 12014 1 43 41 CYS . 12014 1 44 42 THR . 12014 1 45 43 GLY . 12014 1 46 44 GLU . 12014 1 47 45 LYS . 12014 1 48 46 GLY . 12014 1 49 47 ILE . 12014 1 50 48 GLY . 12014 1 51 49 LYS . 12014 1 52 50 SER . 12014 1 53 51 GLY . 12014 1 54 52 MET . 12014 1 55 53 PRO . 12014 1 56 54 LEU . 12014 1 57 55 SER . 12014 1 58 56 TYR . 12014 1 59 57 LYS . 12014 1 60 58 GLY . 12014 1 61 59 THR . 12014 1 62 60 MET . 12014 1 63 61 PHE . 12014 1 64 62 HIS . 12014 1 65 63 ARG . 12014 1 66 64 ILE . 12014 1 67 65 ILE . 12014 1 68 66 PRO . 12014 1 69 67 GLN . 12014 1 70 68 PHE . 12014 1 71 69 MET . 12014 1 72 70 ILE . 12014 1 73 71 GLN . 12014 1 74 72 GLY . 12014 1 75 73 GLY . 12014 1 76 74 ASP . 12014 1 77 75 PHE . 12014 1 78 76 THR . 12014 1 79 77 ARG . 12014 1 80 78 PHE . 12014 1 81 79 ASN . 12014 1 82 80 GLY . 12014 1 83 81 THR . 12014 1 84 82 GLY . 12014 1 85 83 GLY . 12014 1 86 84 GLU . 12014 1 87 85 SER . 12014 1 88 86 ILE . 12014 1 89 87 TYR . 12014 1 90 88 GLY . 12014 1 91 89 MET . 12014 1 92 90 LYS . 12014 1 93 91 PHE . 12014 1 94 92 ASP . 12014 1 95 93 ASP . 12014 1 96 94 GLU . 12014 1 97 95 ASN . 12014 1 98 96 PHE . 12014 1 99 97 LYS . 12014 1 100 98 VAL . 12014 1 101 99 LYS . 12014 1 102 100 HIS . 12014 1 103 101 ASP . 12014 1 104 102 LYS . 12014 1 105 103 PRO . 12014 1 106 104 GLY . 12014 1 107 105 LEU . 12014 1 108 106 LEU . 12014 1 109 107 SER . 12014 1 110 108 MET . 12014 1 111 109 ALA . 12014 1 112 110 ASN . 12014 1 113 111 ALA . 12014 1 114 112 GLY . 12014 1 115 113 PRO . 12014 1 116 114 ASN . 12014 1 117 115 THR . 12014 1 118 116 ASN . 12014 1 119 117 GLY . 12014 1 120 118 SER . 12014 1 121 119 GLN . 12014 1 122 120 PHE . 12014 1 123 121 PHE . 12014 1 124 122 ILE . 12014 1 125 123 THR . 12014 1 126 124 THR . 12014 1 127 125 VAL . 12014 1 128 126 GLU . 12014 1 129 127 THR . 12014 1 130 128 PRO . 12014 1 131 129 TRP . 12014 1 132 130 LEU . 12014 1 133 131 ASP . 12014 1 134 132 GLY . 12014 1 135 133 HIS . 12014 1 136 134 HIS . 12014 1 137 135 CYS . 12014 1 138 136 VAL . 12014 1 139 137 PHE . 12014 1 140 138 GLY . 12014 1 141 139 GLN . 12014 1 142 140 VAL . 12014 1 143 141 ILE . 12014 1 144 142 GLU . 12014 1 145 143 GLY . 12014 1 146 144 MET . 12014 1 147 145 ASP . 12014 1 148 146 ILE . 12014 1 149 147 VAL . 12014 1 150 148 LYS . 12014 1 151 149 GLN . 12014 1 152 150 ILE . 12014 1 153 151 GLU . 12014 1 154 152 SER . 12014 1 155 153 CYS . 12014 1 156 154 GLY . 12014 1 157 155 THR . 12014 1 158 156 GLU . 12014 1 159 157 SER . 12014 1 160 158 GLY . 12014 1 161 159 ARG . 12014 1 162 160 PRO . 12014 1 163 161 ARG . 12014 1 164 162 ALA . 12014 1 165 163 MET . 12014 1 166 164 CYS . 12014 1 167 165 MET . 12014 1 168 166 VAL . 12014 1 169 167 THR . 12014 1 170 168 ASP . 12014 1 171 169 CYS . 12014 1 172 170 GLY . 12014 1 173 171 GLU . 12014 1 174 172 MET . 12014 1 175 173 LYS . 12014 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 12014 1 . SER 2 2 12014 1 . MET 3 3 12014 1 . LEU 4 4 12014 1 . LYS 5 5 12014 1 . ARG 6 6 12014 1 . PRO 7 7 12014 1 . LYS 8 8 12014 1 . THR 9 9 12014 1 . PHE 10 10 12014 1 . PHE 11 11 12014 1 . ASP 12 12 12014 1 . ILE 13 13 12014 1 . SER 14 14 12014 1 . ILE 15 15 12014 1 . ARG 16 16 12014 1 . GLY 17 17 12014 1 . ASP 18 18 12014 1 . LYS 19 19 12014 1 . VAL 20 20 12014 1 . GLY 21 21 12014 1 . LYS 22 22 12014 1 . ILE 23 23 12014 1 . VAL 24 24 12014 1 . PHE 25 25 12014 1 . GLU 26 26 12014 1 . LEU 27 27 12014 1 . PHE 28 28 12014 1 . ASN 29 29 12014 1 . ASP 30 30 12014 1 . ILE 31 31 12014 1 . VAL 32 32 12014 1 . PRO 33 33 12014 1 . LYS 34 34 12014 1 . THR 35 35 12014 1 . ALA 36 36 12014 1 . GLU 37 37 12014 1 . ASN 38 38 12014 1 . PHE 39 39 12014 1 . ARG 40 40 12014 1 . ALA 41 41 12014 1 . LEU 42 42 12014 1 . CYS 43 43 12014 1 . THR 44 44 12014 1 . GLY 45 45 12014 1 . GLU 46 46 12014 1 . LYS 47 47 12014 1 . GLY 48 48 12014 1 . ILE 49 49 12014 1 . GLY 50 50 12014 1 . LYS 51 51 12014 1 . SER 52 52 12014 1 . GLY 53 53 12014 1 . MET 54 54 12014 1 . PRO 55 55 12014 1 . LEU 56 56 12014 1 . SER 57 57 12014 1 . TYR 58 58 12014 1 . LYS 59 59 12014 1 . GLY 60 60 12014 1 . THR 61 61 12014 1 . MET 62 62 12014 1 . PHE 63 63 12014 1 . HIS 64 64 12014 1 . ARG 65 65 12014 1 . ILE 66 66 12014 1 . ILE 67 67 12014 1 . PRO 68 68 12014 1 . GLN 69 69 12014 1 . PHE 70 70 12014 1 . MET 71 71 12014 1 . ILE 72 72 12014 1 . GLN 73 73 12014 1 . GLY 74 74 12014 1 . GLY 75 75 12014 1 . ASP 76 76 12014 1 . PHE 77 77 12014 1 . THR 78 78 12014 1 . ARG 79 79 12014 1 . PHE 80 80 12014 1 . ASN 81 81 12014 1 . GLY 82 82 12014 1 . THR 83 83 12014 1 . GLY 84 84 12014 1 . GLY 85 85 12014 1 . GLU 86 86 12014 1 . SER 87 87 12014 1 . ILE 88 88 12014 1 . TYR 89 89 12014 1 . GLY 90 90 12014 1 . MET 91 91 12014 1 . LYS 92 92 12014 1 . PHE 93 93 12014 1 . ASP 94 94 12014 1 . ASP 95 95 12014 1 . GLU 96 96 12014 1 . ASN 97 97 12014 1 . PHE 98 98 12014 1 . LYS 99 99 12014 1 . VAL 100 100 12014 1 . LYS 101 101 12014 1 . HIS 102 102 12014 1 . ASP 103 103 12014 1 . LYS 104 104 12014 1 . PRO 105 105 12014 1 . GLY 106 106 12014 1 . LEU 107 107 12014 1 . LEU 108 108 12014 1 . SER 109 109 12014 1 . MET 110 110 12014 1 . ALA 111 111 12014 1 . ASN 112 112 12014 1 . ALA 113 113 12014 1 . GLY 114 114 12014 1 . PRO 115 115 12014 1 . ASN 116 116 12014 1 . THR 117 117 12014 1 . ASN 118 118 12014 1 . GLY 119 119 12014 1 . SER 120 120 12014 1 . GLN 121 121 12014 1 . PHE 122 122 12014 1 . PHE 123 123 12014 1 . ILE 124 124 12014 1 . THR 125 125 12014 1 . THR 126 126 12014 1 . VAL 127 127 12014 1 . GLU 128 128 12014 1 . THR 129 129 12014 1 . PRO 130 130 12014 1 . TRP 131 131 12014 1 . LEU 132 132 12014 1 . ASP 133 133 12014 1 . GLY 134 134 12014 1 . HIS 135 135 12014 1 . HIS 136 136 12014 1 . CYS 137 137 12014 1 . VAL 138 138 12014 1 . PHE 139 139 12014 1 . GLY 140 140 12014 1 . GLN 141 141 12014 1 . VAL 142 142 12014 1 . ILE 143 143 12014 1 . GLU 144 144 12014 1 . GLY 145 145 12014 1 . MET 146 146 12014 1 . ASP 147 147 12014 1 . ILE 148 148 12014 1 . VAL 149 149 12014 1 . LYS 150 150 12014 1 . GLN 151 151 12014 1 . ILE 152 152 12014 1 . GLU 153 153 12014 1 . SER 154 154 12014 1 . CYS 155 155 12014 1 . GLY 156 156 12014 1 . THR 157 157 12014 1 . GLU 158 158 12014 1 . SER 159 159 12014 1 . GLY 160 160 12014 1 . ARG 161 161 12014 1 . PRO 162 162 12014 1 . ARG 163 163 12014 1 . ALA 164 164 12014 1 . MET 165 165 12014 1 . CYS 166 166 12014 1 . MET 167 167 12014 1 . VAL 168 168 12014 1 . THR 169 169 12014 1 . ASP 170 170 12014 1 . CYS 171 171 12014 1 . GLY 172 172 12014 1 . GLU 173 173 12014 1 . MET 174 174 12014 1 . LYS 175 175 12014 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 12014 _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 $TvCyP1 . 5722 organism . 'Trichomonas vaginalis' 'Trichomonas vaginalis' . . Eukaryota . Trichomonas vaginalis . . . . . . . . . . . . . 12014 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 12014 _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 $TvCyP1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . 'pET 28a' . . . 12014 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 12014 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TvCyP1 '[U-13C; U-15N; U-2H]' . . 1 $TvCyP1 . protein 0.5 . . mM . . . . 12014 1 2 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 12014 1 3 'sodium azide' 'natural abundance' . . . . . . 0.5 . . mM . . . . 12014 1 4 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 12014 1 5 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 12014 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 12014 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 12014 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 12014 1 temperature 310 . K 12014 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 12014 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 12014 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 12014 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 12014 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 12014 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 12014 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 12014 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 12014 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 12014 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 12014 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12014 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12014 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 12014 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 12014 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 0.00 na indirect 0.251449530 . . . . . 12014 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 12014 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 12014 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_backbone_chem_shift_list_TvCyP1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode backbone_chem_shift_list_TvCyP1 _Assigned_chem_shift_list.Entry_ID 12014 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 12014 1 2 '3D HNCA' 1 $sample_1 isotropic 12014 1 3 '3D HNCACB' 1 $sample_1 isotropic 12014 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 3 3 MET H H 1 8.4471 0.02 . 1 . . . . . 1 MET H1 . 12014 1 2 . 1 1 3 3 MET CA C 13 55.2650 0.2 . 1 . . . . . 1 MET CA . 12014 1 3 . 1 1 3 3 MET N N 15 123.0995 0.2 . 1 . . . . . 1 MET N . 12014 1 4 . 1 1 4 4 LEU H H 1 8.1311 0.02 . 1 . . . . . 2 LEU H . 12014 1 5 . 1 1 4 4 LEU CA C 13 54.7690 0.2 . 1 . . . . . 2 LEU CA . 12014 1 6 . 1 1 4 4 LEU CB C 13 41.5140 0.2 . 1 . . . . . 2 LEU CB . 12014 1 7 . 1 1 4 4 LEU N N 15 124.1533 0.2 . 1 . . . . . 2 LEU N . 12014 1 8 . 1 1 5 5 LYS H H 1 8.2375 0.02 . 1 . . . . . 3 LYS H . 12014 1 9 . 1 1 5 5 LYS CA C 13 55.1940 0.2 . 1 . . . . . 3 LYS CA . 12014 1 10 . 1 1 5 5 LYS CB C 13 32.1570 0.2 . 1 . . . . . 3 LYS CB . 12014 1 11 . 1 1 5 5 LYS N N 15 123.7726 0.2 . 1 . . . . . 3 LYS N . 12014 1 12 . 1 1 6 6 ARG H H 1 8.3696 0.02 . 1 . . . . . 4 ARG H . 12014 1 13 . 1 1 6 6 ARG CA C 13 54.2730 0.2 . 1 . . . . . 4 ARG CA . 12014 1 14 . 1 1 6 6 ARG CB C 13 29.8180 0.2 . 1 . . . . . 4 ARG CB . 12014 1 15 . 1 1 6 6 ARG N N 15 125.5874 0.2 . 1 . . . . . 4 ARG N . 12014 1 16 . 1 1 7 7 PRO CA C 13 62.1410 0.2 . 1 . . . . . 5 PRO CA . 12014 1 17 . 1 1 7 7 PRO CB C 13 31.6610 0.2 . 1 . . . . . 5 PRO CB . 12014 1 18 . 1 1 8 8 LYS H H 1 8.5207 0.02 . 1 . . . . . 6 LYS H . 12014 1 19 . 1 1 8 8 LYS CA C 13 53.9890 0.2 . 1 . . . . . 6 LYS CA . 12014 1 20 . 1 1 8 8 LYS CB C 13 35.2760 0.2 . 1 . . . . . 6 LYS CB . 12014 1 21 . 1 1 8 8 LYS N N 15 119.7490 0.2 . 1 . . . . . 6 LYS N . 12014 1 22 . 1 1 9 9 THR H H 1 8.7913 0.02 . 1 . . . . . 7 THR H . 12014 1 23 . 1 1 9 9 THR CA C 13 58.3130 0.2 . 1 . . . . . 7 THR CA . 12014 1 24 . 1 1 9 9 THR CB C 13 71.8520 0.2 . 1 . . . . . 7 THR CB . 12014 1 25 . 1 1 9 9 THR N N 15 111.9931 0.2 . 1 . . . . . 7 THR N . 12014 1 26 . 1 1 10 10 PHE H H 1 8.6278 0.02 . 1 . . . . . 8 PHE H . 12014 1 27 . 1 1 10 10 PHE CA C 13 55.4070 0.2 . 1 . . . . . 8 PHE CA . 12014 1 28 . 1 1 10 10 PHE N N 15 114.4809 0.2 . 1 . . . . . 8 PHE N . 12014 1 29 . 1 1 11 11 PHE H H 1 9.0175 0.02 . 1 . . . . . 9 PHE H . 12014 1 30 . 1 1 11 11 PHE CA C 13 52.3700 0.2 . 1 . . . . . 9 PHE CA . 12014 1 31 . 1 1 11 11 PHE CB C 13 42.9310 0.2 . 1 . . . . . 9 PHE CB . 12014 1 32 . 1 1 11 11 PHE N N 15 116.0974 0.2 . 1 . . . . . 9 PHE N . 12014 1 33 . 1 1 12 12 ASP H H 1 8.9909 0.02 . 1 . . . . . 10 ASP H . 12014 1 34 . 1 1 12 12 ASP CA C 13 53.9890 0.2 . 1 . . . . . 10 ASP CA . 12014 1 35 . 1 1 12 12 ASP CB C 13 41.7260 0.2 . 1 . . . . . 10 ASP CB . 12014 1 36 . 1 1 12 12 ASP N N 15 124.7536 0.2 . 1 . . . . . 10 ASP N . 12014 1 37 . 1 1 13 13 ILE H H 1 8.6752 0.02 . 1 . . . . . 11 ILE H . 12014 1 38 . 1 1 13 13 ILE CA C 13 56.5410 0.2 . 1 . . . . . 11 ILE CA . 12014 1 39 . 1 1 13 13 ILE CB C 13 37.2610 0.2 . 1 . . . . . 11 ILE CB . 12014 1 40 . 1 1 13 13 ILE N N 15 122.8981 0.2 . 1 . . . . . 11 ILE N . 12014 1 41 . 1 1 14 14 SER H H 1 9.2998 0.02 . 1 . . . . . 12 SER H . 12014 1 42 . 1 1 14 14 SER CA C 13 55.0520 0.2 . 1 . . . . . 12 SER CA . 12014 1 43 . 1 1 14 14 SER CB C 13 66.2520 0.2 . 1 . . . . . 12 SER CB . 12014 1 44 . 1 1 14 14 SER N N 15 122.3532 0.2 . 1 . . . . . 12 SER N . 12014 1 45 . 1 1 15 15 ILE H H 1 8.7796 0.02 . 1 . . . . . 13 ILE H . 12014 1 46 . 1 1 15 15 ILE CA C 13 61.0770 0.2 . 1 . . . . . 13 ILE CA . 12014 1 47 . 1 1 15 15 ILE CB C 13 40.2380 0.2 . 1 . . . . . 13 ILE CB . 12014 1 48 . 1 1 15 15 ILE N N 15 123.2584 0.2 . 1 . . . . . 13 ILE N . 12014 1 49 . 1 1 16 16 ARG H H 1 8.8112 0.02 . 1 . . . . . 14 ARG H . 12014 1 50 . 1 1 16 16 ARG CA C 13 57.3200 0.2 . 1 . . . . . 14 ARG CA . 12014 1 51 . 1 1 16 16 ARG CB C 13 28.8960 0.2 . 1 . . . . . 14 ARG CB . 12014 1 52 . 1 1 16 16 ARG N N 15 127.1095 0.2 . 1 . . . . . 14 ARG N . 12014 1 53 . 1 1 17 17 GLY H H 1 8.8175 0.02 . 1 . . . . . 15 GLY H . 12014 1 54 . 1 1 17 17 GLY CA C 13 44.7030 0.2 . 1 . . . . . 15 GLY CA . 12014 1 55 . 1 1 17 17 GLY N N 15 102.6538 0.2 . 1 . . . . . 15 GLY N . 12014 1 56 . 1 1 18 18 ASP H H 1 7.6360 0.02 . 1 . . . . . 16 ASP H . 12014 1 57 . 1 1 18 18 ASP CA C 13 52.9970 0.2 . 1 . . . . . 16 ASP CA . 12014 1 58 . 1 1 18 18 ASP CB C 13 40.8760 0.2 . 1 . . . . . 16 ASP CB . 12014 1 59 . 1 1 18 18 ASP N N 15 121.5282 0.2 . 1 . . . . . 16 ASP N . 12014 1 60 . 1 1 19 19 LYS H H 1 8.7015 0.02 . 1 . . . . . 17 LYS H . 12014 1 61 . 1 1 19 19 LYS CA C 13 57.5330 0.2 . 1 . . . . . 17 LYS CA . 12014 1 62 . 1 1 19 19 LYS CB C 13 30.6680 0.2 . 1 . . . . . 17 LYS CB . 12014 1 63 . 1 1 19 19 LYS N N 15 124.5416 0.2 . 1 . . . . . 17 LYS N . 12014 1 64 . 1 1 20 20 VAL H H 1 8.5235 0.02 . 1 . . . . . 18 VAL H . 12014 1 65 . 1 1 20 20 VAL CA C 13 61.5740 0.2 . 1 . . . . . 18 VAL CA . 12014 1 66 . 1 1 20 20 VAL CB C 13 32.1570 0.2 . 1 . . . . . 18 VAL CB . 12014 1 67 . 1 1 20 20 VAL N N 15 119.0911 0.2 . 1 . . . . . 18 VAL N . 12014 1 68 . 1 1 21 21 GLY H H 1 7.4230 0.02 . 1 . . . . . 19 GLY H . 12014 1 69 . 1 1 21 21 GLY CA C 13 44.4200 0.2 . 1 . . . . . 19 GLY CA . 12014 1 70 . 1 1 21 21 GLY N N 15 107.4273 0.2 . 1 . . . . . 19 GLY N . 12014 1 71 . 1 1 22 22 LYS H H 1 8.0566 0.02 . 1 . . . . . 20 LYS H . 12014 1 72 . 1 1 22 22 LYS CA C 13 54.2020 0.2 . 1 . . . . . 20 LYS CA . 12014 1 73 . 1 1 22 22 LYS CB C 13 35.7010 0.2 . 1 . . . . . 20 LYS CB . 12014 1 74 . 1 1 22 22 LYS N N 15 120.6309 0.2 . 1 . . . . . 20 LYS N . 12014 1 75 . 1 1 23 23 ILE H H 1 9.0452 0.02 . 1 . . . . . 21 ILE H . 12014 1 76 . 1 1 23 23 ILE CA C 13 59.9560 0.2 . 1 . . . . . 21 ILE CA . 12014 1 77 . 1 1 23 23 ILE N N 15 122.8655 0.2 . 1 . . . . . 21 ILE N . 12014 1 78 . 1 1 24 24 VAL H H 1 8.1972 0.02 . 1 . . . . . 22 VAL H . 12014 1 79 . 1 1 24 24 VAL CA C 13 60.3290 0.2 . 1 . . . . . 22 VAL CA . 12014 1 80 . 1 1 24 24 VAL CB C 13 33.1780 0.2 . 1 . . . . . 22 VAL CB . 12014 1 81 . 1 1 24 24 VAL N N 15 125.1994 0.2 . 1 . . . . . 22 VAL N . 12014 1 82 . 1 1 25 25 PHE H H 1 9.4023 0.02 . 1 . . . . . 23 PHE H . 12014 1 83 . 1 1 25 25 PHE CA C 13 54.9810 0.2 . 1 . . . . . 23 PHE CA . 12014 1 84 . 1 1 25 25 PHE N N 15 127.0247 0.2 . 1 . . . . . 23 PHE N . 12014 1 85 . 1 1 26 26 GLU H H 1 8.9305 0.02 . 1 . . . . . 24 GLU H . 12014 1 86 . 1 1 26 26 GLU CA C 13 54.2020 0.2 . 1 . . . . . 24 GLU CA . 12014 1 87 . 1 1 26 26 GLU CB C 13 25.4940 0.2 . 1 . . . . . 24 GLU CB . 12014 1 88 . 1 1 26 26 GLU N N 15 120.2791 0.2 . 1 . . . . . 24 GLU N . 12014 1 89 . 1 1 27 27 LEU H H 1 8.2231 0.02 . 1 . . . . . 25 LEU H . 12014 1 90 . 1 1 27 27 LEU CA C 13 52.2170 0.2 . 1 . . . . . 25 LEU CA . 12014 1 91 . 1 1 27 27 LEU CB C 13 42.5060 0.2 . 1 . . . . . 25 LEU CB . 12014 1 92 . 1 1 27 27 LEU N N 15 122.7603 0.2 . 1 . . . . . 25 LEU N . 12014 1 93 . 1 1 28 28 PHE H H 1 8.7653 0.02 . 1 . . . . . 26 PHE H . 12014 1 94 . 1 1 28 28 PHE CA C 13 52.0000 0.2 . 1 . . . . . 26 PHE CA . 12014 1 95 . 1 1 28 28 PHE CB C 13 35.2210 0.2 . 1 . . . . . 26 PHE CB . 12014 1 96 . 1 1 28 28 PHE N N 15 122.1794 0.2 . 1 . . . . . 26 PHE N . 12014 1 97 . 1 1 29 29 ASN H H 1 9.0425 0.02 . 1 . . . . . 27 ASN H . 12014 1 98 . 1 1 29 29 ASN CA C 13 55.7610 0.2 . 1 . . . . . 27 ASN CA . 12014 1 99 . 1 1 29 29 ASN CB C 13 36.2680 0.2 . 1 . . . . . 27 ASN CB . 12014 1 100 . 1 1 29 29 ASN N N 15 124.7268 0.2 . 1 . . . . . 27 ASN N . 12014 1 101 . 1 1 30 30 ASP H H 1 10.6519 0.02 . 1 . . . . . 28 ASP H . 12014 1 102 . 1 1 30 30 ASP CA C 13 53.8470 0.2 . 1 . . . . . 28 ASP CA . 12014 1 103 . 1 1 30 30 ASP CB C 13 37.5440 0.2 . 1 . . . . . 28 ASP CB . 12014 1 104 . 1 1 30 30 ASP N N 15 115.2721 0.2 . 1 . . . . . 28 ASP N . 12014 1 105 . 1 1 31 31 ILE H H 1 7.1459 0.02 . 1 . . . . . 29 ILE H . 12014 1 106 . 1 1 31 31 ILE CA C 13 62.4950 0.2 . 1 . . . . . 29 ILE CA . 12014 1 107 . 1 1 31 31 ILE CB C 13 40.8050 0.2 . 1 . . . . . 29 ILE CB . 12014 1 108 . 1 1 31 31 ILE N N 15 119.2033 0.2 . 1 . . . . . 29 ILE N . 12014 1 109 . 1 1 33 33 PRO CA C 13 65.5430 0.2 . 1 . . . . . 31 PRO CA . 12014 1 110 . 1 1 33 33 PRO CB C 13 33.6460 0.2 . 1 . . . . . 31 PRO CB . 12014 1 111 . 1 1 34 34 LYS H H 1 10.5052 0.02 . 1 . . . . . 32 LYS H . 12014 1 112 . 1 1 34 34 LYS CA C 13 59.8010 0.2 . 1 . . . . . 32 LYS CA . 12014 1 113 . 1 1 34 34 LYS CB C 13 30.8100 0.2 . 1 . . . . . 32 LYS CB . 12014 1 114 . 1 1 34 34 LYS N N 15 122.5868 0.2 . 1 . . . . . 32 LYS N . 12014 1 115 . 1 1 35 35 THR H H 1 10.3131 0.02 . 1 . . . . . 33 THR H . 12014 1 116 . 1 1 35 35 THR CA C 13 67.0320 0.2 . 1 . . . . . 33 THR CA . 12014 1 117 . 1 1 35 35 THR CB C 13 68.2100 0.2 . 1 . . . . . 33 THR CB . 12014 1 118 . 1 1 35 35 THR N N 15 124.9204 0.2 . 1 . . . . . 33 THR N . 12014 1 119 . 1 1 36 36 ALA H H 1 9.2262 0.02 . 1 . . . . . 34 ALA H . 12014 1 120 . 1 1 36 36 ALA CA C 13 55.3350 0.2 . 1 . . . . . 34 ALA CA . 12014 1 121 . 1 1 36 36 ALA N N 15 125.7771 0.2 . 1 . . . . . 34 ALA N . 12014 1 122 . 1 1 37 37 GLU H H 1 7.8806 0.02 . 1 . . . . . 35 GLU H . 12014 1 123 . 1 1 37 37 GLU CA C 13 57.5330 0.2 . 1 . . . . . 35 GLU CA . 12014 1 124 . 1 1 37 37 GLU CB C 13 27.7620 0.2 . 1 . . . . . 35 GLU CB . 12014 1 125 . 1 1 37 37 GLU N N 15 117.7376 0.2 . 1 . . . . . 35 GLU N . 12014 1 126 . 1 1 38 38 ASN H H 1 7.0282 0.02 . 1 . . . . . 36 ASN H . 12014 1 127 . 1 1 38 38 ASN CA C 13 56.4000 0.2 . 1 . . . . . 36 ASN CA . 12014 1 128 . 1 1 38 38 ASN CB C 13 38.8900 0.2 . 1 . . . . . 36 ASN CB . 12014 1 129 . 1 1 38 38 ASN N N 15 115.9088 0.2 . 1 . . . . . 36 ASN N . 12014 1 130 . 1 1 39 39 PHE H H 1 6.8350 0.02 . 1 . . . . . 37 PHE H . 12014 1 131 . 1 1 39 39 PHE CA C 13 61.2190 0.2 . 1 . . . . . 37 PHE CA . 12014 1 132 . 1 1 39 39 PHE CB C 13 39.3870 0.2 . 1 . . . . . 37 PHE CB . 12014 1 133 . 1 1 39 39 PHE N N 15 117.0846 0.2 . 1 . . . . . 37 PHE N . 12014 1 134 . 1 1 40 40 ARG H H 1 8.6666 0.02 . 1 . . . . . 38 ARG H . 12014 1 135 . 1 1 40 40 ARG CA C 13 60.1730 0.2 . 1 . . . . . 38 ARG CA . 12014 1 136 . 1 1 40 40 ARG N N 15 119.5737 0.2 . 1 . . . . . 38 ARG N . 12014 1 137 . 1 1 41 41 ALA H H 1 8.4932 0.02 . 1 . . . . . 39 ALA H . 12014 1 138 . 1 1 41 41 ALA CA C 13 53.6730 0.2 . 1 . . . . . 39 ALA CA . 12014 1 139 . 1 1 41 41 ALA N N 15 118.3485 0.2 . 1 . . . . . 39 ALA N . 12014 1 140 . 1 1 42 42 LEU H H 1 7.7908 0.02 . 1 . . . . . 40 LEU H . 12014 1 141 . 1 1 42 42 LEU CA C 13 56.2871 0.2 . 1 . . . . . 40 LEU CA . 12014 1 142 . 1 1 42 42 LEU N N 15 122.5972 0.2 . 1 . . . . . 40 LEU N . 12014 1 143 . 1 1 43 43 CYS H H 1 7.6001 0.02 . 1 . . . . . 41 CYS H . 12014 1 144 . 1 1 43 43 CYS CA C 13 62.8400 0.2 . 1 . . . . . 41 CYS CA . 12014 1 145 . 1 1 43 43 CYS CB C 13 30.8811 0.2 . 1 . . . . . 41 CYS CB . 12014 1 146 . 1 1 43 43 CYS N N 15 116.7505 0.2 . 1 . . . . . 41 CYS N . 12014 1 147 . 1 1 44 44 THR H H 1 7.7502 0.02 . 1 . . . . . 42 THR H . 12014 1 148 . 1 1 44 44 THR CA C 13 62.8470 0.2 . 1 . . . . . 42 THR CA . 12014 1 149 . 1 1 44 44 THR CB C 13 69.0160 0.2 . 1 . . . . . 42 THR CB . 12014 1 150 . 1 1 44 44 THR N N 15 107.8159 0.2 . 1 . . . . . 42 THR N . 12014 1 151 . 1 1 45 45 GLY H H 1 7.9864 0.02 . 1 . . . . . 43 GLY H . 12014 1 152 . 1 1 45 45 GLY CA C 13 45.2700 0.2 . 1 . . . . . 43 GLY CA . 12014 1 153 . 1 1 45 45 GLY N N 15 110.7903 0.2 . 1 . . . . . 43 GLY N . 12014 1 154 . 1 1 46 46 GLU H H 1 8.0724 0.02 . 1 . . . . . 44 GLU H . 12014 1 155 . 1 1 46 46 GLU CA C 13 57.4620 0.2 . 1 . . . . . 44 GLU CA . 12014 1 156 . 1 1 46 46 GLU CB C 13 29.3220 0.2 . 1 . . . . . 44 GLU CB . 12014 1 157 . 1 1 46 46 GLU N N 15 117.5405 0.2 . 1 . . . . . 44 GLU N . 12014 1 158 . 1 1 47 47 LYS H H 1 9.1834 0.02 . 1 . . . . . 45 LYS H . 12014 1 159 . 1 1 47 47 LYS CA C 13 54.2020 0.2 . 1 . . . . . 45 LYS CA . 12014 1 160 . 1 1 47 47 LYS CB C 13 29.5340 0.2 . 1 . . . . . 45 LYS CB . 12014 1 161 . 1 1 47 47 LYS N N 15 119.8778 0.2 . 1 . . . . . 45 LYS N . 12014 1 162 . 1 1 48 48 GLY H H 1 7.3707 0.02 . 1 . . . . . 46 GLY H . 12014 1 163 . 1 1 48 48 GLY CA C 13 45.6250 0.2 . 1 . . . . . 46 GLY CA . 12014 1 164 . 1 1 48 48 GLY N N 15 106.4798 0.2 . 1 . . . . . 46 GLY N . 12014 1 165 . 1 1 49 49 ILE H H 1 8.3998 0.02 . 1 . . . . . 47 ILE H . 12014 1 166 . 1 1 49 49 ILE CA C 13 59.5900 0.2 . 1 . . . . . 47 ILE CA . 12014 1 167 . 1 1 49 49 ILE CB C 13 36.9060 0.2 . 1 . . . . . 47 ILE CB . 12014 1 168 . 1 1 49 49 ILE N N 15 126.2202 0.2 . 1 . . . . . 47 ILE N . 12014 1 169 . 1 1 50 50 GLY H H 1 8.0257 0.02 . 1 . . . . . 48 GLY H . 12014 1 170 . 1 1 50 50 GLY CA C 13 44.0650 0.2 . 1 . . . . . 48 GLY CA . 12014 1 171 . 1 1 50 50 GLY N N 15 113.6004 0.2 . 1 . . . . . 48 GLY N . 12014 1 172 . 1 1 51 51 LYS H H 1 11.0097 0.02 . 1 . . . . . 49 LYS H . 12014 1 173 . 1 1 51 51 LYS CA C 13 58.1000 0.2 . 1 . . . . . 49 LYS CA . 12014 1 174 . 1 1 51 51 LYS CB C 13 30.8100 0.2 . 1 . . . . . 49 LYS CB . 12014 1 175 . 1 1 51 51 LYS N N 15 126.5319 0.2 . 1 . . . . . 49 LYS N . 12014 1 176 . 1 1 52 52 SER H H 1 9.2549 0.02 . 1 . . . . . 50 SER H . 12014 1 177 . 1 1 52 52 SER CA C 13 58.9510 0.2 . 1 . . . . . 50 SER CA . 12014 1 178 . 1 1 52 52 SER CB C 13 63.4870 0.2 . 1 . . . . . 50 SER CB . 12014 1 179 . 1 1 52 52 SER N N 15 113.9162 0.2 . 1 . . . . . 50 SER N . 12014 1 180 . 1 1 53 53 GLY H H 1 7.8756 0.02 . 1 . . . . . 51 GLY H . 12014 1 181 . 1 1 53 53 GLY CA C 13 45.0000 0.2 . 1 . . . . . 51 GLY CA . 12014 1 182 . 1 1 53 53 GLY N N 15 108.8481 0.2 . 1 . . . . . 51 GLY N . 12014 1 183 . 1 1 54 54 MET H H 1 7.5411 0.02 . 1 . . . . . 52 MET H . 12014 1 184 . 1 1 54 54 MET CA C 13 52.0000 0.2 . 1 . . . . . 52 MET CA . 12014 1 185 . 1 1 54 54 MET CB C 13 31.9440 0.2 . 1 . . . . . 52 MET CB . 12014 1 186 . 1 1 54 54 MET N N 15 119.1577 0.2 . 1 . . . . . 52 MET N . 12014 1 187 . 1 1 55 55 PRO CA C 13 62.4240 0.2 . 1 . . . . . 53 PRO CA . 12014 1 188 . 1 1 55 55 PRO CB C 13 30.5270 0.2 . 1 . . . . . 53 PRO CB . 12014 1 189 . 1 1 56 56 LEU H H 1 8.2626 0.02 . 1 . . . . . 54 LEU H . 12014 1 190 . 1 1 56 56 LEU CA C 13 52.2456 0.2 . 1 . . . . . 54 LEU CA . 12014 1 191 . 1 1 56 56 LEU CB C 13 38.2013 0.2 . 1 . . . . . 54 LEU CB . 12014 1 192 . 1 1 56 56 LEU N N 15 126.1255 0.2 . 1 . . . . . 54 LEU N . 12014 1 193 . 1 1 57 57 SER H H 1 5.9189 0.02 . 1 . . . . . 55 SER H . 12014 1 194 . 1 1 57 57 SER CA C 13 54.4529 0.2 . 1 . . . . . 55 SER CA . 12014 1 195 . 1 1 57 57 SER CB C 13 63.6148 0.2 . 1 . . . . . 55 SER CB . 12014 1 196 . 1 1 57 57 SER N N 15 115.3580 0.2 . 1 . . . . . 55 SER N . 12014 1 197 . 1 1 58 58 TYR H H 1 7.4366 0.02 . 1 . . . . . 56 TYR H . 12014 1 198 . 1 1 58 58 TYR CA C 13 56.5860 0.2 . 1 . . . . . 56 TYR CA . 12014 1 199 . 1 1 58 58 TYR CB C 13 37.1190 0.2 . 1 . . . . . 56 TYR CB . 12014 1 200 . 1 1 58 58 TYR N N 15 122.7524 0.2 . 1 . . . . . 56 TYR N . 12014 1 201 . 1 1 59 59 LYS H H 1 8.5885 0.02 . 1 . . . . . 57 LYS H . 12014 1 202 . 1 1 59 59 LYS CA C 13 59.4470 0.2 . 1 . . . . . 57 LYS CA . 12014 1 203 . 1 1 59 59 LYS CB C 13 31.0230 0.2 . 1 . . . . . 57 LYS CB . 12014 1 204 . 1 1 59 59 LYS N N 15 127.5520 0.2 . 1 . . . . . 57 LYS N . 12014 1 205 . 1 1 60 60 GLY H H 1 8.8956 0.02 . 1 . . . . . 58 GLY H . 12014 1 206 . 1 1 60 60 GLY CA C 13 44.7030 0.2 . 1 . . . . . 58 GLY CA . 12014 1 207 . 1 1 60 60 GLY N N 15 115.3332 0.2 . 1 . . . . . 58 GLY N . 12014 1 208 . 1 1 62 62 MET H H 1 9.0080 0.02 . 1 . . . . . 60 MET H . 12014 1 209 . 1 1 62 62 MET CA C 13 52.4300 0.2 . 1 . . . . . 60 MET CA . 12014 1 210 . 1 1 62 62 MET CB C 13 34.2130 0.2 . 1 . . . . . 60 MET CB . 12014 1 211 . 1 1 62 62 MET N N 15 115.4278 0.2 . 1 . . . . . 60 MET N . 12014 1 212 . 1 1 63 63 PHE H H 1 7.9548 0.02 . 1 . . . . . 61 PHE H . 12014 1 213 . 1 1 63 63 PHE CA C 13 58.3130 0.2 . 1 . . . . . 61 PHE CA . 12014 1 214 . 1 1 63 63 PHE CB C 13 36.9770 0.2 . 1 . . . . . 61 PHE CB . 12014 1 215 . 1 1 63 63 PHE N N 15 121.5807 0.2 . 1 . . . . . 61 PHE N . 12014 1 216 . 1 1 64 64 HIS H H 1 7.3027 0.02 . 1 . . . . . 62 HIS H . 12014 1 217 . 1 1 64 64 HIS CA C 13 57.1080 0.2 . 1 . . . . . 62 HIS CA . 12014 1 218 . 1 1 64 64 HIS CB C 13 30.8810 0.2 . 1 . . . . . 62 HIS CB . 12014 1 219 . 1 1 64 64 HIS N N 15 120.4121 0.2 . 1 . . . . . 62 HIS N . 12014 1 220 . 1 1 65 65 ARG H H 1 6.8140 0.02 . 1 . . . . . 63 ARG H . 12014 1 221 . 1 1 65 65 ARG CA C 13 54.6980 0.2 . 1 . . . . . 63 ARG CA . 12014 1 222 . 1 1 65 65 ARG CB C 13 32.0860 0.2 . 1 . . . . . 63 ARG CB . 12014 1 223 . 1 1 65 65 ARG N N 15 123.3632 0.2 . 1 . . . . . 63 ARG N . 12014 1 224 . 1 1 66 66 ILE H H 1 8.9762 0.02 . 1 . . . . . 64 ILE H . 12014 1 225 . 1 1 66 66 ILE CA C 13 60.9360 0.2 . 1 . . . . . 64 ILE CA . 12014 1 226 . 1 1 66 66 ILE CB C 13 41.7260 0.2 . 1 . . . . . 64 ILE CB . 12014 1 227 . 1 1 66 66 ILE N N 15 127.7635 0.2 . 1 . . . . . 64 ILE N . 12014 1 228 . 1 1 67 67 ILE H H 1 8.6045 0.02 . 1 . . . . . 65 ILE H . 12014 1 229 . 1 1 67 67 ILE CA C 13 57.1790 0.2 . 1 . . . . . 65 ILE CA . 12014 1 230 . 1 1 67 67 ILE CB C 13 39.3870 0.2 . 1 . . . . . 65 ILE CB . 12014 1 231 . 1 1 67 67 ILE N N 15 127.5972 0.2 . 1 . . . . . 65 ILE N . 12014 1 232 . 1 1 69 69 GLN H H 1 9.4797 0.02 . 1 . . . . . 67 GLN H . 12014 1 233 . 1 1 69 69 GLN CA C 13 57.1080 0.2 . 1 . . . . . 67 GLN CA . 12014 1 234 . 1 1 69 69 GLN CB C 13 25.4230 0.2 . 1 . . . . . 67 GLN CB . 12014 1 235 . 1 1 69 69 GLN N N 15 116.7883 0.2 . 1 . . . . . 67 GLN N . 12014 1 236 . 1 1 70 70 PHE H H 1 7.5787 0.02 . 1 . . . . . 68 PHE H . 12014 1 237 . 1 1 70 70 PHE CA C 13 57.4620 0.2 . 1 . . . . . 68 PHE CA . 12014 1 238 . 1 1 70 70 PHE CB C 13 38.3240 0.2 . 1 . . . . . 68 PHE CB . 12014 1 239 . 1 1 70 70 PHE N N 15 114.5521 0.2 . 1 . . . . . 68 PHE N . 12014 1 240 . 1 1 71 71 MET H H 1 8.2290 0.02 . 1 . . . . . 69 MET H . 12014 1 241 . 1 1 71 71 MET CA C 13 54.1310 0.2 . 1 . . . . . 69 MET CA . 12014 1 242 . 1 1 71 71 MET CB C 13 34.0000 0.2 . 1 . . . . . 69 MET CB . 12014 1 243 . 1 1 71 71 MET N N 15 112.3974 0.2 . 1 . . . . . 69 MET N . 12014 1 244 . 1 1 72 72 ILE H H 1 8.2044 0.02 . 1 . . . . . 70 ILE H . 12014 1 245 . 1 1 72 72 ILE CA C 13 59.5890 0.2 . 1 . . . . . 70 ILE CA . 12014 1 246 . 1 1 72 72 ILE CB C 13 39.3870 0.2 . 1 . . . . . 70 ILE CB . 12014 1 247 . 1 1 72 72 ILE N N 15 113.0483 0.2 . 1 . . . . . 70 ILE N . 12014 1 248 . 1 1 73 73 GLN H H 1 9.0341 0.02 . 1 . . . . . 71 GLN H . 12014 1 249 . 1 1 73 73 GLN CA C 13 53.9890 0.2 . 1 . . . . . 71 GLN CA . 12014 1 250 . 1 1 73 73 GLN CB C 13 30.8100 0.2 . 1 . . . . . 71 GLN CB . 12014 1 251 . 1 1 73 73 GLN N N 15 126.5830 0.2 . 1 . . . . . 71 GLN N . 12014 1 252 . 1 1 74 74 GLY H H 1 7.4550 0.02 . 1 . . . . . 72 GLY H . 12014 1 253 . 1 1 74 74 GLY CA C 13 44.4200 0.2 . 1 . . . . . 72 GLY CA . 12014 1 254 . 1 1 74 74 GLY N N 15 110.5216 0.2 . 1 . . . . . 72 GLY N . 12014 1 255 . 1 1 75 75 GLY H H 1 8.7814 0.02 . 1 . . . . . 73 GLY H . 12014 1 256 . 1 1 75 75 GLY CA C 13 46.4040 0.2 . 1 . . . . . 73 GLY CA . 12014 1 257 . 1 1 75 75 GLY N N 15 105.1676 0.2 . 1 . . . . . 73 GLY N . 12014 1 258 . 1 1 76 76 ASP H H 1 9.2997 0.02 . 1 . . . . . 74 ASP H . 12014 1 259 . 1 1 76 76 ASP CA C 13 52.1460 0.2 . 1 . . . . . 74 ASP CA . 12014 1 260 . 1 1 76 76 ASP CB C 13 39.1740 0.2 . 1 . . . . . 74 ASP CB . 12014 1 261 . 1 1 76 76 ASP N N 15 121.9819 0.2 . 1 . . . . . 74 ASP N . 12014 1 262 . 1 1 77 77 PHE H H 1 6.1236 0.02 . 1 . . . . . 75 PHE H . 12014 1 263 . 1 1 77 77 PHE CA C 13 55.4070 0.2 . 1 . . . . . 75 PHE CA . 12014 1 264 . 1 1 77 77 PHE CB C 13 37.7570 0.2 . 1 . . . . . 75 PHE CB . 12014 1 265 . 1 1 77 77 PHE N N 15 118.0999 0.2 . 1 . . . . . 75 PHE N . 12014 1 266 . 1 1 78 78 THR H H 1 7.4333 0.02 . 1 . . . . . 76 THR H . 12014 1 267 . 1 1 78 78 THR CA C 13 61.2190 0.2 . 1 . . . . . 76 THR CA . 12014 1 268 . 1 1 78 78 THR CB C 13 68.8040 0.2 . 1 . . . . . 76 THR CB . 12014 1 269 . 1 1 78 78 THR N N 15 107.9474 0.2 . 1 . . . . . 76 THR N . 12014 1 270 . 1 1 79 79 ARG H H 1 8.7287 0.02 . 1 . . . . . 77 ARG H . 12014 1 271 . 1 1 79 79 ARG CA C 13 54.3280 0.2 . 1 . . . . . 77 ARG CA . 12014 1 272 . 1 1 79 79 ARG N N 15 123.0586 0.2 . 1 . . . . . 77 ARG N . 12014 1 273 . 1 1 80 80 PHE H H 1 6.2497 0.02 . 1 . . . . . 78 PHE H . 12014 1 274 . 1 1 80 80 PHE CA C 13 58.9610 0.2 . 1 . . . . . 78 PHE CA . 12014 1 275 . 1 1 80 80 PHE CB C 13 35.1340 0.2 . 1 . . . . . 78 PHE CB . 12014 1 276 . 1 1 80 80 PHE N N 15 111.4170 0.2 . 1 . . . . . 78 PHE N . 12014 1 277 . 1 1 81 81 ASN H H 1 7.3674 0.02 . 1 . . . . . 79 ASN H . 12014 1 278 . 1 1 81 81 ASN CA C 13 52.2140 0.2 . 1 . . . . . 79 ASN CA . 12014 1 279 . 1 1 81 81 ASN CB C 13 38.2530 0.2 . 1 . . . . . 79 ASN CB . 12014 1 280 . 1 1 81 81 ASN N N 15 111.8832 0.2 . 1 . . . . . 79 ASN N . 12014 1 281 . 1 1 82 82 GLY H H 1 9.3921 0.02 . 1 . . . . . 80 GLY H . 12014 1 282 . 1 1 82 82 GLY CA C 13 44.2070 0.2 . 1 . . . . . 80 GLY CA . 12014 1 283 . 1 1 82 82 GLY N N 15 110.1860 0.2 . 1 . . . . . 80 GLY N . 12014 1 284 . 1 1 83 83 THR H H 1 7.8583 0.02 . 1 . . . . . 81 THR H . 12014 1 285 . 1 1 83 83 THR CA C 13 61.8520 0.2 . 1 . . . . . 81 THR CA . 12014 1 286 . 1 1 83 83 THR CB C 13 70.0790 0.2 . 1 . . . . . 81 THR CB . 12014 1 287 . 1 1 83 83 THR N N 15 112.4374 0.2 . 1 . . . . . 81 THR N . 12014 1 288 . 1 1 84 84 GLY H H 1 8.5194 0.02 . 1 . . . . . 82 GLY H . 12014 1 289 . 1 1 84 84 GLY CA C 13 44.2070 0.2 . 1 . . . . . 82 GLY CA . 12014 1 290 . 1 1 84 84 GLY N N 15 113.7724 0.2 . 1 . . . . . 82 GLY N . 12014 1 291 . 1 1 85 85 GLY H H 1 8.3008 0.02 . 1 . . . . . 83 GLY H . 12014 1 292 . 1 1 85 85 GLY CA C 13 42.6480 0.2 . 1 . . . . . 83 GLY CA . 12014 1 293 . 1 1 85 85 GLY N N 15 109.5798 0.2 . 1 . . . . . 83 GLY N . 12014 1 294 . 1 1 86 86 GLU H H 1 6.5530 0.02 . 1 . . . . . 84 GLU H . 12014 1 295 . 1 1 86 86 GLU CA C 13 56.1630 0.2 . 1 . . . . . 84 GLU CA . 12014 1 296 . 1 1 86 86 GLU CB C 13 31.8730 0.2 . 1 . . . . . 84 GLU CB . 12014 1 297 . 1 1 86 86 GLU N N 15 119.1698 0.2 . 1 . . . . . 84 GLU N . 12014 1 298 . 1 1 87 87 SER H H 1 7.6857 0.02 . 1 . . . . . 85 SER H . 12014 1 299 . 1 1 87 87 SER CA C 13 56.9400 0.2 . 1 . . . . . 85 SER CA . 12014 1 300 . 1 1 87 87 SER CB C 13 68.6619 0.2 . 1 . . . . . 85 SER CB . 12014 1 301 . 1 1 87 87 SER N N 15 117.1082 0.2 . 1 . . . . . 85 SER N . 12014 1 302 . 1 1 88 88 ILE H H 1 8.5412 0.02 . 1 . . . . . 86 ILE H . 12014 1 303 . 1 1 88 88 ILE CA C 13 63.5580 0.2 . 1 . . . . . 86 ILE CA . 12014 1 304 . 1 1 88 88 ILE CB C 13 36.1970 0.2 . 1 . . . . . 86 ILE CB . 12014 1 305 . 1 1 88 88 ILE N N 15 112.6698 0.2 . 1 . . . . . 86 ILE N . 12014 1 306 . 1 1 89 89 TYR H H 1 7.8669 0.02 . 1 . . . . . 87 TYR H . 12014 1 307 . 1 1 89 89 TYR CA C 13 55.7600 0.2 . 1 . . . . . 87 TYR CA . 12014 1 308 . 1 1 89 89 TYR CB C 13 37.9690 0.2 . 1 . . . . . 87 TYR CB . 12014 1 309 . 1 1 89 89 TYR N N 15 120.3869 0.2 . 1 . . . . . 87 TYR N . 12014 1 310 . 1 1 90 90 GLY H H 1 7.0832 0.02 . 1 . . . . . 88 GLY H . 12014 1 311 . 1 1 90 90 GLY CA C 13 43.2860 0.2 . 1 . . . . . 88 GLY CA . 12014 1 312 . 1 1 90 90 GLY N N 15 106.6757 0.2 . 1 . . . . . 88 GLY N . 12014 1 313 . 1 1 92 92 LYS H H 1 7.7071 0.02 . 1 . . . . . 90 LYS H . 12014 1 314 . 1 1 92 92 LYS CA C 13 53.5510 0.2 . 1 . . . . . 90 LYS CA . 12014 1 315 . 1 1 92 92 LYS N N 15 110.8397 0.2 . 1 . . . . . 90 LYS N . 12014 1 316 . 1 1 93 93 PHE H H 1 8.7449 0.02 . 1 . . . . . 91 PHE H . 12014 1 317 . 1 1 93 93 PHE CA C 13 55.7900 0.2 . 1 . . . . . 91 PHE CA . 12014 1 318 . 1 1 93 93 PHE CB C 13 41.0880 0.2 . 1 . . . . . 91 PHE CB . 12014 1 319 . 1 1 93 93 PHE N N 15 115.8774 0.2 . 1 . . . . . 91 PHE N . 12014 1 320 . 1 1 94 94 ASP H H 1 8.2452 0.02 . 1 . . . . . 92 ASP H . 12014 1 321 . 1 1 94 94 ASP CA C 13 54.2020 0.2 . 1 . . . . . 92 ASP CA . 12014 1 322 . 1 1 94 94 ASP CB C 13 39.6710 0.2 . 1 . . . . . 92 ASP CB . 12014 1 323 . 1 1 94 94 ASP N N 15 120.6773 0.2 . 1 . . . . . 92 ASP N . 12014 1 324 . 1 1 95 95 ASP H H 1 8.7896 0.02 . 1 . . . . . 93 ASP H . 12014 1 325 . 1 1 95 95 ASP CA C 13 54.5460 0.2 . 1 . . . . . 93 ASP CA . 12014 1 326 . 1 1 95 95 ASP CB C 13 41.3010 0.2 . 1 . . . . . 93 ASP CB . 12014 1 327 . 1 1 95 95 ASP N N 15 118.7718 0.2 . 1 . . . . . 93 ASP N . 12014 1 328 . 1 1 96 96 GLU H H 1 9.1613 0.02 . 1 . . . . . 94 GLU H . 12014 1 329 . 1 1 96 96 GLU CA C 13 59.1630 0.2 . 1 . . . . . 94 GLU CA . 12014 1 330 . 1 1 96 96 GLU CB C 13 30.5980 0.2 . 1 . . . . . 94 GLU CB . 12014 1 331 . 1 1 96 96 GLU N N 15 130.6946 0.2 . 1 . . . . . 94 GLU N . 12014 1 332 . 1 1 97 97 ASN H H 1 6.8921 0.02 . 1 . . . . . 95 ASN H . 12014 1 333 . 1 1 97 97 ASN CA C 13 52.6420 0.2 . 1 . . . . . 95 ASN CA . 12014 1 334 . 1 1 97 97 ASN CB C 13 39.0330 0.2 . 1 . . . . . 95 ASN CB . 12014 1 335 . 1 1 97 97 ASN N N 15 106.8940 0.2 . 1 . . . . . 95 ASN N . 12014 1 336 . 1 1 98 98 PHE H H 1 8.3042 0.02 . 1 . . . . . 96 PHE H . 12014 1 337 . 1 1 98 98 PHE CA C 13 55.1230 0.2 . 1 . . . . . 96 PHE CA . 12014 1 338 . 1 1 98 98 PHE CB C 13 37.5440 0.2 . 1 . . . . . 96 PHE CB . 12014 1 339 . 1 1 98 98 PHE N N 15 115.4952 0.2 . 1 . . . . . 96 PHE N . 12014 1 340 . 1 1 99 99 LYS H H 1 8.2012 0.02 . 1 . . . . . 97 LYS H . 12014 1 341 . 1 1 99 99 LYS CA C 13 59.4470 0.2 . 1 . . . . . 97 LYS CA . 12014 1 342 . 1 1 99 99 LYS CB C 13 32.2990 0.2 . 1 . . . . . 97 LYS CB . 12014 1 343 . 1 1 99 99 LYS N N 15 119.6903 0.2 . 1 . . . . . 97 LYS N . 12014 1 344 . 1 1 100 100 VAL H H 1 7.6421 0.02 . 1 . . . . . 98 VAL H . 12014 1 345 . 1 1 100 100 VAL CA C 13 62.2820 0.2 . 1 . . . . . 98 VAL CA . 12014 1 346 . 1 1 100 100 VAL CB C 13 31.0230 0.2 . 1 . . . . . 98 VAL CB . 12014 1 347 . 1 1 100 100 VAL N N 15 117.8400 0.2 . 1 . . . . . 98 VAL N . 12014 1 348 . 1 1 101 101 LYS H H 1 8.2667 0.02 . 1 . . . . . 99 LYS H . 12014 1 349 . 1 1 101 101 LYS CA C 13 54.7690 0.2 . 1 . . . . . 99 LYS CA . 12014 1 350 . 1 1 101 101 LYS CB C 13 32.5820 0.2 . 1 . . . . . 99 LYS CB . 12014 1 351 . 1 1 101 101 LYS N N 15 126.6798 0.2 . 1 . . . . . 99 LYS N . 12014 1 352 . 1 1 102 102 HIS H H 1 10.6768 0.02 . 1 . . . . . 100 HIS H . 12014 1 353 . 1 1 102 102 HIS CA C 13 55.2300 0.2 . 1 . . . . . 100 HIS CA . 12014 1 354 . 1 1 102 102 HIS N N 15 122.4838 0.2 . 1 . . . . . 100 HIS N . 12014 1 355 . 1 1 103 103 ASP H H 1 7.7636 0.02 . 1 . . . . . 101 ASP H . 12014 1 356 . 1 1 103 103 ASP CA C 13 52.8050 0.2 . 1 . . . . . 101 ASP CA . 12014 1 357 . 1 1 103 103 ASP N N 15 120.3166 0.2 . 1 . . . . . 101 ASP N . 12014 1 358 . 1 1 104 104 LYS H H 1 7.3465 0.02 . 1 . . . . . 102 LYS H . 12014 1 359 . 1 1 104 104 LYS CA C 13 53.8930 0.2 . 1 . . . . . 102 LYS CA . 12014 1 360 . 1 1 104 104 LYS CB C 13 31.7320 0.2 . 1 . . . . . 102 LYS CB . 12014 1 361 . 1 1 104 104 LYS N N 15 114.3211 0.2 . 1 . . . . . 102 LYS N . 12014 1 362 . 1 1 105 105 PRO CA C 13 61.9280 0.2 . 1 . . . . . 103 PRO CA . 12014 1 363 . 1 1 105 105 PRO CB C 13 31.7320 0.2 . 1 . . . . . 103 PRO CB . 12014 1 364 . 1 1 106 106 GLY H H 1 8.4160 0.02 . 1 . . . . . 104 GLY H . 12014 1 365 . 1 1 106 106 GLY CA C 13 45.9080 0.2 . 1 . . . . . 104 GLY CA . 12014 1 366 . 1 1 106 106 GLY N N 15 108.9203 0.2 . 1 . . . . . 104 GLY N . 12014 1 367 . 1 1 107 107 LEU H H 1 7.3798 0.02 . 1 . . . . . 105 LEU H . 12014 1 368 . 1 1 107 107 LEU CA C 13 53.3450 0.2 . 1 . . . . . 105 LEU CA . 12014 1 369 . 1 1 107 107 LEU N N 15 119.6940 0.2 . 1 . . . . . 105 LEU N . 12014 1 370 . 1 1 109 109 SER H H 1 8.3177 0.02 . 1 . . . . . 107 SER H . 12014 1 371 . 1 1 109 109 SER CA C 13 54.5770 0.2 . 1 . . . . . 107 SER CA . 12014 1 372 . 1 1 109 109 SER N N 15 117.5378 0.2 . 1 . . . . . 107 SER N . 12014 1 373 . 1 1 110 110 MET H H 1 8.1320 0.02 . 1 . . . . . 108 MET H . 12014 1 374 . 1 1 110 110 MET CA C 13 53.8470 0.2 . 1 . . . . . 108 MET CA . 12014 1 375 . 1 1 110 110 MET CB C 13 30.0300 0.2 . 1 . . . . . 108 MET CB . 12014 1 376 . 1 1 110 110 MET N N 15 123.5512 0.2 . 1 . . . . . 108 MET N . 12014 1 377 . 1 1 111 111 ALA H H 1 7.8826 0.02 . 1 . . . . . 109 ALA H . 12014 1 378 . 1 1 111 111 ALA CA C 13 51.0830 0.2 . 1 . . . . . 109 ALA CA . 12014 1 379 . 1 1 111 111 ALA CB C 13 18.7600 0.2 . 1 . . . . . 109 ALA CB . 12014 1 380 . 1 1 111 111 ALA N N 15 126.8391 0.2 . 1 . . . . . 109 ALA N . 12014 1 381 . 1 1 112 112 ASN H H 1 8.2268 0.02 . 1 . . . . . 110 ASN H . 12014 1 382 . 1 1 112 112 ASN CA C 13 53.8470 0.2 . 1 . . . . . 110 ASN CA . 12014 1 383 . 1 1 112 112 ASN CB C 13 39.7410 0.2 . 1 . . . . . 110 ASN CB . 12014 1 384 . 1 1 112 112 ASN N N 15 114.6517 0.2 . 1 . . . . . 110 ASN N . 12014 1 385 . 1 1 113 113 ALA H H 1 8.5924 0.02 . 1 . . . . . 111 ALA H . 12014 1 386 . 1 1 113 113 ALA CA C 13 50.0900 0.2 . 1 . . . . . 111 ALA CA . 12014 1 387 . 1 1 113 113 ALA CB C 13 18.6890 0.2 . 1 . . . . . 111 ALA CB . 12014 1 388 . 1 1 113 113 ALA N N 15 123.6111 0.2 . 1 . . . . . 111 ALA N . 12014 1 389 . 1 1 114 114 GLY H H 1 7.9245 0.02 . 1 . . . . . 112 GLY H . 12014 1 390 . 1 1 114 114 GLY CA C 13 43.1440 0.2 . 1 . . . . . 112 GLY CA . 12014 1 391 . 1 1 114 114 GLY N N 15 109.3775 0.2 . 1 . . . . . 112 GLY N . 12014 1 392 . 1 1 115 115 PRO CA C 13 63.5580 0.2 . 1 . . . . . 113 PRO CA . 12014 1 393 . 1 1 115 115 PRO CB C 13 29.5340 0.2 . 1 . . . . . 113 PRO CB . 12014 1 394 . 1 1 116 116 ASN H H 1 8.7916 0.02 . 1 . . . . . 114 ASN H . 12014 1 395 . 1 1 116 116 ASN CA C 13 54.0600 0.2 . 1 . . . . . 114 ASN CA . 12014 1 396 . 1 1 116 116 ASN CB C 13 36.1970 0.2 . 1 . . . . . 114 ASN CB . 12014 1 397 . 1 1 116 116 ASN N N 15 119.5549 0.2 . 1 . . . . . 114 ASN N . 12014 1 398 . 1 1 117 117 THR H H 1 9.9376 0.02 . 1 . . . . . 115 THR H . 12014 1 399 . 1 1 117 117 THR CA C 13 59.8010 0.2 . 1 . . . . . 115 THR CA . 12014 1 400 . 1 1 117 117 THR CB C 13 68.4490 0.2 . 1 . . . . . 115 THR CB . 12014 1 401 . 1 1 117 117 THR N N 15 110.5748 0.2 . 1 . . . . . 115 THR N . 12014 1 402 . 1 1 118 118 ASN H H 1 7.1339 0.02 . 1 . . . . . 116 ASN H . 12014 1 403 . 1 1 118 118 ASN CA C 13 55.1940 0.2 . 1 . . . . . 116 ASN CA . 12014 1 404 . 1 1 118 118 ASN CB C 13 38.6070 0.2 . 1 . . . . . 116 ASN CB . 12014 1 405 . 1 1 118 118 ASN N N 15 120.6800 0.2 . 1 . . . . . 116 ASN N . 12014 1 406 . 1 1 119 119 GLY H H 1 9.0267 0.02 . 1 . . . . . 117 GLY H . 12014 1 407 . 1 1 119 119 GLY CA C 13 45.1290 0.2 . 1 . . . . . 117 GLY CA . 12014 1 408 . 1 1 119 119 GLY N N 15 110.9061 0.2 . 1 . . . . . 117 GLY N . 12014 1 409 . 1 1 120 120 SER H H 1 8.6250 0.02 . 1 . . . . . 118 SER H . 12014 1 410 . 1 1 120 120 SER CA C 13 57.4620 0.2 . 1 . . . . . 118 SER CA . 12014 1 411 . 1 1 120 120 SER CB C 13 65.9680 0.2 . 1 . . . . . 118 SER CB . 12014 1 412 . 1 1 120 120 SER N N 15 117.8370 0.2 . 1 . . . . . 118 SER N . 12014 1 413 . 1 1 121 121 GLN H H 1 8.2699 0.02 . 1 . . . . . 119 GLN H . 12014 1 414 . 1 1 121 121 GLN CA C 13 57.3210 0.2 . 1 . . . . . 119 GLN CA . 12014 1 415 . 1 1 121 121 GLN CB C 13 30.8800 0.2 . 1 . . . . . 119 GLN CB . 12014 1 416 . 1 1 121 121 GLN N N 15 124.4919 0.2 . 1 . . . . . 119 GLN N . 12014 1 417 . 1 1 122 122 PHE H H 1 7.5566 0.02 . 1 . . . . . 120 PHE H . 12014 1 418 . 1 1 122 122 PHE CA C 13 54.8400 0.2 . 1 . . . . . 120 PHE CA . 12014 1 419 . 1 1 122 122 PHE N N 15 117.8405 0.2 . 1 . . . . . 120 PHE N . 12014 1 420 . 1 1 123 123 PHE H H 1 9.7254 0.02 . 1 . . . . . 121 PHE H . 12014 1 421 . 1 1 123 123 PHE CA C 13 54.3600 0.2 . 1 . . . . . 121 PHE CA . 12014 1 422 . 1 1 123 123 PHE N N 15 117.2998 0.2 . 1 . . . . . 121 PHE N . 12014 1 423 . 1 1 124 124 ILE H H 1 9.0997 0.02 . 1 . . . . . 122 ILE H . 12014 1 424 . 1 1 124 124 ILE CA C 13 58.8670 0.2 . 1 . . . . . 122 ILE CA . 12014 1 425 . 1 1 124 124 ILE N N 15 119.5056 0.2 . 1 . . . . . 122 ILE N . 12014 1 426 . 1 1 125 125 THR H H 1 9.0907 0.02 . 1 . . . . . 123 THR H . 12014 1 427 . 1 1 125 125 THR CA C 13 61.2300 0.2 . 1 . . . . . 123 THR CA . 12014 1 428 . 1 1 125 125 THR N N 15 117.1656 0.2 . 1 . . . . . 123 THR N . 12014 1 429 . 1 1 126 126 THR H H 1 8.5082 0.02 . 1 . . . . . 124 THR H . 12014 1 430 . 1 1 126 126 THR CA C 13 60.7940 0.2 . 1 . . . . . 124 THR CA . 12014 1 431 . 1 1 126 126 THR CB C 13 67.3150 0.2 . 1 . . . . . 124 THR CB . 12014 1 432 . 1 1 126 126 THR N N 15 111.1706 0.2 . 1 . . . . . 124 THR N . 12014 1 433 . 1 1 127 127 VAL H H 1 7.7465 0.02 . 1 . . . . . 125 VAL H . 12014 1 434 . 1 1 127 127 VAL CA C 13 59.0220 0.2 . 1 . . . . . 125 VAL CA . 12014 1 435 . 1 1 127 127 VAL CB C 13 36.6230 0.2 . 1 . . . . . 125 VAL CB . 12014 1 436 . 1 1 127 127 VAL N N 15 116.5474 0.2 . 1 . . . . . 125 VAL N . 12014 1 437 . 1 1 128 128 GLU H H 1 8.9275 0.02 . 1 . . . . . 126 GLU H . 12014 1 438 . 1 1 128 128 GLU CA C 13 58.0280 0.2 . 1 . . . . . 126 GLU CA . 12014 1 439 . 1 1 128 128 GLU CB C 13 27.9040 0.2 . 1 . . . . . 126 GLU CB . 12014 1 440 . 1 1 128 128 GLU N N 15 121.0665 0.2 . 1 . . . . . 126 GLU N . 12014 1 441 . 1 1 129 129 THR H H 1 7.3368 0.02 . 1 . . . . . 127 THR H . 12014 1 442 . 1 1 129 129 THR CA C 13 56.3990 0.2 . 1 . . . . . 127 THR CA . 12014 1 443 . 1 1 129 129 THR CB C 13 68.5200 0.2 . 1 . . . . . 127 THR CB . 12014 1 444 . 1 1 129 129 THR N N 15 110.2031 0.2 . 1 . . . . . 127 THR N . 12014 1 445 . 1 1 130 130 PRO CA C 13 64.0280 0.2 . 1 . . . . . 128 PRO CA . 12014 1 446 . 1 1 130 130 PRO CB C 13 33.6460 0.2 . 1 . . . . . 128 PRO CB . 12014 1 447 . 1 1 131 131 TRP H H 1 6.8872 0.02 . 1 . . . . . 129 TRP H . 12014 1 448 . 1 1 131 131 TRP CA C 13 59.6450 0.2 . 1 . . . . . 129 TRP CA . 12014 1 449 . 1 1 131 131 TRP CB C 13 26.2740 0.2 . 1 . . . . . 129 TRP CB . 12014 1 450 . 1 1 131 131 TRP N N 15 115.6898 0.2 . 1 . . . . . 129 TRP N . 12014 1 451 . 1 1 132 132 LEU H H 1 7.1346 0.02 . 1 . . . . . 130 LEU H . 12014 1 452 . 1 1 132 132 LEU CA C 13 55.2300 0.2 . 1 . . . . . 130 LEU CA . 12014 1 453 . 1 1 132 132 LEU CB C 13 48.0350 0.2 . 1 . . . . . 130 LEU CB . 12014 1 454 . 1 1 132 132 LEU N N 15 120.1577 0.2 . 1 . . . . . 130 LEU N . 12014 1 455 . 1 1 133 133 ASP H H 1 7.5198 0.02 . 1 . . . . . 131 ASP H . 12014 1 456 . 1 1 133 133 ASP CA C 13 55.5410 0.2 . 1 . . . . . 131 ASP CA . 12014 1 457 . 1 1 133 133 ASP N N 15 122.6406 0.2 . 1 . . . . . 131 ASP N . 12014 1 458 . 1 1 134 134 GLY H H 1 9.0393 0.02 . 1 . . . . . 132 GLY H . 12014 1 459 . 1 1 134 134 GLY CA C 13 44.0650 0.2 . 1 . . . . . 132 GLY CA . 12014 1 460 . 1 1 134 134 GLY N N 15 110.0796 0.2 . 1 . . . . . 132 GLY N . 12014 1 461 . 1 1 135 135 HIS H H 1 7.6183 0.02 . 1 . . . . . 133 HIS H . 12014 1 462 . 1 1 135 135 HIS CA C 13 54.8400 0.2 . 1 . . . . . 133 HIS CA . 12014 1 463 . 1 1 135 135 HIS CB C 13 30.6680 0.2 . 1 . . . . . 133 HIS CB . 12014 1 464 . 1 1 135 135 HIS N N 15 112.0663 0.2 . 1 . . . . . 133 HIS N . 12014 1 465 . 1 1 136 136 HIS H H 1 7.2570 0.02 . 1 . . . . . 134 HIS H . 12014 1 466 . 1 1 136 136 HIS CA C 13 54.6700 0.2 . 1 . . . . . 134 HIS CA . 12014 1 467 . 1 1 136 136 HIS CB C 13 31.3770 0.2 . 1 . . . . . 134 HIS CB . 12014 1 468 . 1 1 136 136 HIS N N 15 119.1889 0.2 . 1 . . . . . 134 HIS N . 12014 1 469 . 1 1 137 137 CYS H H 1 8.8666 0.02 . 1 . . . . . 135 CYS H . 12014 1 470 . 1 1 137 137 CYS CA C 13 59.4270 0.2 . 1 . . . . . 135 CYS CA . 12014 1 471 . 1 1 137 137 CYS CB C 13 28.0460 0.2 . 1 . . . . . 135 CYS CB . 12014 1 472 . 1 1 137 137 CYS N N 15 125.5696 0.2 . 1 . . . . . 135 CYS N . 12014 1 473 . 1 1 138 138 VAL H H 1 9.6389 0.02 . 1 . . . . . 136 VAL H . 12014 1 474 . 1 1 138 138 VAL CA C 13 62.4950 0.2 . 1 . . . . . 136 VAL CA . 12014 1 475 . 1 1 138 138 VAL CB C 13 30.8810 0.2 . 1 . . . . . 136 VAL CB . 12014 1 476 . 1 1 138 138 VAL N N 15 134.3666 0.2 . 1 . . . . . 136 VAL N . 12014 1 477 . 1 1 140 140 GLY H H 1 6.8949 0.02 . 1 . . . . . 138 GLY H . 12014 1 478 . 1 1 140 140 GLY CA C 13 44.8450 0.2 . 1 . . . . . 138 GLY CA . 12014 1 479 . 1 1 140 140 GLY N N 15 111.8172 0.2 . 1 . . . . . 138 GLY N . 12014 1 480 . 1 1 141 141 GLN H H 1 8.4963 0.02 . 1 . . . . . 139 GLN H . 12014 1 481 . 1 1 141 141 GLN CA C 13 53.2090 0.2 . 1 . . . . . 139 GLN CA . 12014 1 482 . 1 1 141 141 GLN N N 15 113.7821 0.2 . 1 . . . . . 139 GLN N . 12014 1 483 . 1 1 142 142 VAL H H 1 9.0831 0.02 . 1 . . . . . 140 VAL H . 12014 1 484 . 1 1 142 142 VAL CA C 13 63.2040 0.2 . 1 . . . . . 140 VAL CA . 12014 1 485 . 1 1 142 142 VAL CB C 13 30.5980 0.2 . 1 . . . . . 140 VAL CB . 12014 1 486 . 1 1 142 142 VAL N N 15 123.6586 0.2 . 1 . . . . . 140 VAL N . 12014 1 487 . 1 1 143 143 ILE H H 1 9.1132 0.02 . 1 . . . . . 141 ILE H . 12014 1 488 . 1 1 143 143 ILE CA C 13 61.0060 0.2 . 1 . . . . . 141 ILE CA . 12014 1 489 . 1 1 143 143 ILE CB C 13 38.8200 0.2 . 1 . . . . . 141 ILE CB . 12014 1 490 . 1 1 143 143 ILE N N 15 122.3629 0.2 . 1 . . . . . 141 ILE N . 12014 1 491 . 1 1 144 144 GLU H H 1 7.6581 0.02 . 1 . . . . . 142 GLU H . 12014 1 492 . 1 1 144 144 GLU CA C 13 56.0690 0.2 . 1 . . . . . 142 GLU CA . 12014 1 493 . 1 1 144 144 GLU CB C 13 32.2990 0.2 . 1 . . . . . 142 GLU CB . 12014 1 494 . 1 1 144 144 GLU N N 15 122.1134 0.2 . 1 . . . . . 142 GLU N . 12014 1 495 . 1 1 145 145 GLY H H 1 8.6582 0.02 . 1 . . . . . 143 GLY H . 12014 1 496 . 1 1 145 145 GLY CA C 13 45.6960 0.2 . 1 . . . . . 143 GLY CA . 12014 1 497 . 1 1 145 145 GLY N N 15 109.9341 0.2 . 1 . . . . . 143 GLY N . 12014 1 498 . 1 1 146 146 MET H H 1 8.8257 0.02 . 1 . . . . . 144 MET H . 12014 1 499 . 1 1 146 146 MET CA C 13 56.4700 0.2 . 1 . . . . . 144 MET CA . 12014 1 500 . 1 1 146 146 MET CB C 13 29.1800 0.2 . 1 . . . . . 144 MET CB . 12014 1 501 . 1 1 146 146 MET N N 15 122.9662 0.2 . 1 . . . . . 144 MET N . 12014 1 502 . 1 1 147 147 ASP H H 1 9.0484 0.02 . 1 . . . . . 145 ASP H . 12014 1 503 . 1 1 147 147 ASP CA C 13 56.4700 0.2 . 1 . . . . . 145 ASP CA . 12014 1 504 . 1 1 147 147 ASP CB C 13 38.6070 0.2 . 1 . . . . . 145 ASP CB . 12014 1 505 . 1 1 147 147 ASP N N 15 116.9787 0.2 . 1 . . . . . 145 ASP N . 12014 1 506 . 1 1 148 148 ILE H H 1 7.4244 0.02 . 1 . . . . . 146 ILE H . 12014 1 507 . 1 1 148 148 ILE CA C 13 63.0960 0.2 . 1 . . . . . 146 ILE CA . 12014 1 508 . 1 1 148 148 ILE CB C 13 34.7090 0.2 . 1 . . . . . 146 ILE CB . 12014 1 509 . 1 1 148 148 ILE N N 15 123.1637 0.2 . 1 . . . . . 146 ILE N . 12014 1 510 . 1 1 149 149 VAL H H 1 7.5207 0.02 . 1 . . . . . 147 VAL H . 12014 1 511 . 1 1 149 149 VAL CA C 13 66.8190 0.2 . 1 . . . . . 147 VAL CA . 12014 1 512 . 1 1 149 149 VAL CB C 13 29.8180 0.2 . 1 . . . . . 147 VAL CB . 12014 1 513 . 1 1 149 149 VAL N N 15 121.8802 0.2 . 1 . . . . . 147 VAL N . 12014 1 514 . 1 1 150 150 LYS H H 1 7.9940 0.02 . 1 . . . . . 148 LYS H . 12014 1 515 . 1 1 150 150 LYS CA C 13 57.9580 0.2 . 1 . . . . . 148 LYS CA . 12014 1 516 . 1 1 150 150 LYS CB C 13 29.5340 0.2 . 1 . . . . . 148 LYS CB . 12014 1 517 . 1 1 150 150 LYS N N 15 117.2635 0.2 . 1 . . . . . 148 LYS N . 12014 1 518 . 1 1 151 151 GLN H H 1 7.6048 0.02 . 1 . . . . . 149 GLN H . 12014 1 519 . 1 1 151 151 GLN CA C 13 59.2340 0.2 . 1 . . . . . 149 GLN CA . 12014 1 520 . 1 1 151 151 GLN CB C 13 27.9040 0.2 . 1 . . . . . 149 GLN CB . 12014 1 521 . 1 1 151 151 GLN N N 15 121.5739 0.2 . 1 . . . . . 149 GLN N . 12014 1 522 . 1 1 152 152 ILE H H 1 8.1097 0.02 . 1 . . . . . 150 ILE H . 12014 1 523 . 1 1 152 152 ILE CA C 13 65.1890 0.2 . 1 . . . . . 150 ILE CA . 12014 1 524 . 1 1 152 152 ILE N N 15 122.0617 0.2 . 1 . . . . . 150 ILE N . 12014 1 525 . 1 1 153 153 GLU H H 1 8.5409 0.02 . 1 . . . . . 151 GLU H . 12014 1 526 . 1 1 153 153 GLU CA C 13 58.7430 0.2 . 1 . . . . . 151 GLU CA . 12014 1 527 . 1 1 153 153 GLU CB C 13 29.0380 0.2 . 1 . . . . . 151 GLU CB . 12014 1 528 . 1 1 153 153 GLU N N 15 121.2887 0.2 . 1 . . . . . 151 GLU N . 12014 1 529 . 1 1 154 154 SER H H 1 7.6359 0.02 . 1 . . . . . 152 SER H . 12014 1 530 . 1 1 154 154 SER CA C 13 60.5100 0.2 . 1 . . . . . 152 SER CA . 12014 1 531 . 1 1 154 154 SER CB C 13 62.9200 0.2 . 1 . . . . . 152 SER CB . 12014 1 532 . 1 1 154 154 SER N N 15 112.0926 0.2 . 1 . . . . . 152 SER N . 12014 1 533 . 1 1 155 155 CYS H H 1 8.0745 0.02 . 1 . . . . . 153 CYS H . 12014 1 534 . 1 1 155 155 CYS CA C 13 59.5890 0.2 . 1 . . . . . 153 CYS CA . 12014 1 535 . 1 1 155 155 CYS CB C 13 26.6990 0.2 . 1 . . . . . 153 CYS CB . 12014 1 536 . 1 1 155 155 CYS N N 15 118.8392 0.2 . 1 . . . . . 153 CYS N . 12014 1 537 . 1 1 156 156 GLY H H 1 7.8014 0.02 . 1 . . . . . 154 GLY H . 12014 1 538 . 1 1 156 156 GLY CA C 13 44.2780 0.2 . 1 . . . . . 154 GLY CA . 12014 1 539 . 1 1 156 156 GLY N N 15 108.1410 0.2 . 1 . . . . . 154 GLY N . 12014 1 540 . 1 1 157 157 THR H H 1 7.4169 0.02 . 1 . . . . . 155 THR H . 12014 1 541 . 1 1 157 157 THR CA C 13 60.0850 0.2 . 1 . . . . . 155 THR CA . 12014 1 542 . 1 1 157 157 THR CB C 13 73.6240 0.2 . 1 . . . . . 155 THR CB . 12014 1 543 . 1 1 157 157 THR N N 15 106.3091 0.2 . 1 . . . . . 155 THR N . 12014 1 544 . 1 1 158 158 GLU H H 1 9.0672 0.02 . 1 . . . . . 156 GLU H . 12014 1 545 . 1 1 158 158 GLU CA C 13 59.5180 0.2 . 1 . . . . . 156 GLU CA . 12014 1 546 . 1 1 158 158 GLU CB C 13 28.3290 0.2 . 1 . . . . . 156 GLU CB . 12014 1 547 . 1 1 158 158 GLU N N 15 121.3213 0.2 . 1 . . . . . 156 GLU N . 12014 1 548 . 1 1 159 159 SER H H 1 7.8067 0.02 . 1 . . . . . 157 SER H . 12014 1 549 . 1 1 159 159 SER CA C 13 58.7380 0.2 . 1 . . . . . 157 SER CA . 12014 1 550 . 1 1 159 159 SER CB C 13 64.0540 0.2 . 1 . . . . . 157 SER CB . 12014 1 551 . 1 1 159 159 SER N N 15 109.7978 0.2 . 1 . . . . . 157 SER N . 12014 1 552 . 1 1 160 160 GLY H H 1 8.1118 0.02 . 1 . . . . . 158 GLY H . 12014 1 553 . 1 1 160 160 GLY CA C 13 44.2070 0.2 . 1 . . . . . 158 GLY CA . 12014 1 554 . 1 1 160 160 GLY N N 15 113.3162 0.2 . 1 . . . . . 158 GLY N . 12014 1 555 . 1 1 161 161 ARG H H 1 7.2568 0.02 . 1 . . . . . 159 ARG H . 12014 1 556 . 1 1 161 161 ARG CA C 13 53.9890 0.2 . 1 . . . . . 159 ARG CA . 12014 1 557 . 1 1 161 161 ARG CB C 13 29.1800 0.2 . 1 . . . . . 159 ARG CB . 12014 1 558 . 1 1 161 161 ARG N N 15 122.7582 0.2 . 1 . . . . . 159 ARG N . 12014 1 559 . 1 1 162 162 PRO CA C 13 62.3530 0.2 . 1 . . . . . 160 PRO CA . 12014 1 560 . 1 1 162 162 PRO CB C 13 33.1490 0.2 . 1 . . . . . 160 PRO CB . 12014 1 561 . 1 1 163 163 ARG H H 1 9.1634 0.02 . 1 . . . . . 161 ARG H . 12014 1 562 . 1 1 163 163 ARG CA C 13 55.3360 0.2 . 1 . . . . . 161 ARG CA . 12014 1 563 . 1 1 163 163 ARG CB C 13 29.8890 0.2 . 1 . . . . . 161 ARG CB . 12014 1 564 . 1 1 163 163 ARG N N 15 118.4443 0.2 . 1 . . . . . 161 ARG N . 12014 1 565 . 1 1 164 164 ALA H H 1 7.2939 0.02 . 1 . . . . . 162 ALA H . 12014 1 566 . 1 1 164 164 ALA CA C 13 50.3740 0.2 . 1 . . . . . 162 ALA CA . 12014 1 567 . 1 1 164 164 ALA CB C 13 21.8080 0.2 . 1 . . . . . 162 ALA CB . 12014 1 568 . 1 1 164 164 ALA N N 15 116.7661 0.2 . 1 . . . . . 162 ALA N . 12014 1 569 . 1 1 165 165 MET H H 1 9.2853 0.02 . 1 . . . . . 163 MET H . 12014 1 570 . 1 1 165 165 MET CA C 13 54.2020 0.2 . 1 . . . . . 163 MET CA . 12014 1 571 . 1 1 165 165 MET N N 15 118.7633 0.2 . 1 . . . . . 163 MET N . 12014 1 572 . 1 1 166 166 CYS H H 1 9.2470 0.02 . 1 . . . . . 164 CYS H . 12014 1 573 . 1 1 166 166 CYS CA C 13 57.0020 0.2 . 1 . . . . . 164 CYS CA . 12014 1 574 . 1 1 166 166 CYS N N 15 128.8766 0.2 . 1 . . . . . 164 CYS N . 12014 1 575 . 1 1 167 167 MET H H 1 9.2020 0.02 . 1 . . . . . 165 MET H . 12014 1 576 . 1 1 167 167 MET CA C 13 53.7050 0.2 . 1 . . . . . 165 MET CA . 12014 1 577 . 1 1 167 167 MET CB C 13 36.9060 0.2 . 1 . . . . . 165 MET CB . 12014 1 578 . 1 1 167 167 MET N N 15 124.2590 0.2 . 1 . . . . . 165 MET N . 12014 1 579 . 1 1 168 168 VAL H H 1 8.7285 0.02 . 1 . . . . . 166 VAL H . 12014 1 580 . 1 1 168 168 VAL CA C 13 60.7940 0.2 . 1 . . . . . 166 VAL CA . 12014 1 581 . 1 1 168 168 VAL CB C 13 29.6760 0.2 . 1 . . . . . 166 VAL CB . 12014 1 582 . 1 1 168 168 VAL N N 15 124.7062 0.2 . 1 . . . . . 166 VAL N . 12014 1 583 . 1 1 169 169 THR H H 1 9.0230 0.02 . 1 . . . . . 167 THR H . 12014 1 584 . 1 1 169 169 THR CA C 13 63.7710 0.2 . 1 . . . . . 167 THR CA . 12014 1 585 . 1 1 169 169 THR CB C 13 67.3150 0.2 . 1 . . . . . 167 THR CB . 12014 1 586 . 1 1 169 169 THR N N 15 121.9329 0.2 . 1 . . . . . 167 THR N . 12014 1 587 . 1 1 170 170 ASP H H 1 7.6601 0.02 . 1 . . . . . 168 ASP H . 12014 1 588 . 1 1 170 170 ASP CA C 13 53.3510 0.2 . 1 . . . . . 168 ASP CA . 12014 1 589 . 1 1 170 170 ASP CB C 13 44.2780 0.2 . 1 . . . . . 168 ASP CB . 12014 1 590 . 1 1 170 170 ASP N N 15 116.0579 0.2 . 1 . . . . . 168 ASP N . 12014 1 591 . 1 1 171 171 CYS H H 1 8.6811 0.02 . 1 . . . . . 169 CYS H . 12014 1 592 . 1 1 171 171 CYS CA C 13 54.5560 0.2 . 1 . . . . . 169 CYS CA . 12014 1 593 . 1 1 171 171 CYS CB C 13 31.0230 0.2 . 1 . . . . . 169 CYS CB . 12014 1 594 . 1 1 171 171 CYS N N 15 115.7533 0.2 . 1 . . . . . 169 CYS N . 12014 1 595 . 1 1 172 172 GLY H H 1 6.5633 0.02 . 1 . . . . . 170 GLY H . 12014 1 596 . 1 1 172 172 GLY CA C 13 44.8450 0.2 . 1 . . . . . 170 GLY CA . 12014 1 597 . 1 1 172 172 GLY N N 15 103.0372 0.2 . 1 . . . . . 170 GLY N . 12014 1 598 . 1 1 173 173 GLU H H 1 8.8120 0.02 . 1 . . . . . 171 GLU H . 12014 1 599 . 1 1 173 173 GLU CA C 13 54.7690 0.2 . 1 . . . . . 171 GLU CA . 12014 1 600 . 1 1 173 173 GLU CB C 13 31.5900 0.2 . 1 . . . . . 171 GLU CB . 12014 1 601 . 1 1 173 173 GLU N N 15 120.6833 0.2 . 1 . . . . . 171 GLU N . 12014 1 602 . 1 1 174 174 MET H H 1 8.4419 0.02 . 1 . . . . . 172 MET H . 12014 1 603 . 1 1 174 174 MET CA C 13 54.5560 0.2 . 1 . . . . . 172 MET CA . 12014 1 604 . 1 1 174 174 MET CB C 13 32.9370 0.2 . 1 . . . . . 172 MET CB . 12014 1 605 . 1 1 174 174 MET N N 15 124.7352 0.2 . 1 . . . . . 172 MET N . 12014 1 606 . 1 1 175 175 LYS H H 1 8.0804 0.02 . 1 . . . . . 173 LYS H . 12014 1 607 . 1 1 175 175 LYS CA C 13 57.3206 0.2 . 1 . . . . . 173 LYS CA . 12014 1 608 . 1 1 175 175 LYS CB C 13 36.1265 0.2 . 1 . . . . . 173 LYS CB . 12014 1 609 . 1 1 175 175 LYS N N 15 130.1932 0.2 . 1 . . . . . 173 LYS N . 12014 1 stop_ save_