data_18176 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18176 _Entry.Title ; Backbone chemical shift assignments for the oxidized form of cVIMP-Cys ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-04 _Entry.Accession_date 2012-01-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Lea Cecilie' Christensen . . . 18176 2 Kaare Teilum . . . 18176 3 Lars Ellgaard . . . 18176 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Teilum Group' . 18176 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18176 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 169 18176 '15N chemical shifts' 81 18176 '1H chemical shifts' 81 18176 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 . . 2013-02-13 2012-01-04 update BMRB 'update entry citation' 18176 1 . . 2012-06-18 2012-01-04 original author 'original release' 18176 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18177 'cytosolic region of human VIMP (reduced)' 18176 PDB 2Q2F 'Entry containing crystal structure of residues 52-122 in human VIMP' 18176 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18176 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22700979 _Citation.Full_citation . _Citation.Title 'The human selenoprotein VCP-interacting membrane protein (VIMP) is non-globular and harbors a reductase function in an intrinsically disordered region.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 31 _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 26388 _Citation.Page_last 26399 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Lea Cecilie' Christensen . . . 18176 1 2 'Njal Winther' Jensen . . . 18176 1 3 Andrea Vala . . . 18176 1 4 Jurate Kamarauskaite . . . 18176 1 5 Linda Johansson . . . 18176 1 6 'Jakob Rahr' Winther . . . 18176 1 7 Kay Hofmann . . . 18176 1 8 Kaare Teilum . . . 18176 1 9 Lars Ellgaard . . . 18176 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18176 _Assembly.ID 1 _Assembly.Name 'cytosolic region of human VIMP' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 cVIMP-Cys 1 $cVIMP-Cys_ox A . yes native no no . . . 18176 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cVIMP-Cys_ox _Entity.Sf_category entity _Entity.Sf_framecode cVIMP-Cys_ox _Entity.Entry_ID 18176 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cVIMP-Cys_ox _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 ; MQKLSARLRALRQRQLDRAA AAVEPDVVVKRQEALAAARL KMQEELNAQVEKHKEKLKQL EEEKRRQKIEMWDSMQEGKS YKGNAKKPQEEDSPGPSTSS VLKRKSDRKPLRGGGYNPLS GEGGGACSWRPGRRGPSSGG CG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 2-142 in the sequence represent residues 49-189 in human VIMP (SelS)' _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 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment cVIMP-Cys _Entity.Mutation U188C _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18177 . cVIMP-Cys_red . . . . . 100.00 142 100.00 100.00 1.91e-94 . . . . 18176 1 2 no GB AAF67483 . "AD-015 protein [Homo sapiens]" . . . . . 88.03 204 99.20 99.20 5.81e-79 . . . . 18176 1 3 no GB AAH05840 . "Selenoprotein S [Homo sapiens]" . . . . . 100.00 189 98.59 98.59 5.00e-92 . . . . 18176 1 4 no GB AAI07775 . "Selenoprotein S [Homo sapiens]" . . . . . 100.00 189 98.59 98.59 5.00e-92 . . . . 18176 1 5 no GB AAK15708 . "hypothetical protein SBBI8 [Homo sapiens]" . . . . . 98.59 187 99.29 99.29 1.75e-91 . . . . 18176 1 6 no GB AAP85541 . "selenoprotein S [Homo sapiens]" . . . . . 100.00 189 98.59 98.59 5.00e-92 . . . . 18176 1 7 no REF NP_001108228 . "selenoprotein S [Pan troglodytes]" . . . . . 100.00 189 97.89 98.59 1.26e-91 . . . . 18176 1 8 no REF NP_001186934 . "selenoprotein S [Pongo abelii]" . . . . . 100.70 190 97.20 97.20 1.77e-89 . . . . 18176 1 9 no REF NP_060915 . "selenoprotein S isoform 2 [Homo sapiens]" . . . . . 100.00 189 98.59 98.59 5.00e-92 . . . . 18176 1 10 no REF NP_982298 . "selenoprotein S isoform 1 [Homo sapiens]" . . . . . 98.59 187 99.29 99.29 1.75e-91 . . . . 18176 1 11 no REF XP_003281631 . "PREDICTED: selenoprotein S [Nomascus leucogenys]" . . . . . 98.59 187 97.86 99.29 3.05e-90 . . . . 18176 1 12 no SP Q9BQE4 . "RecName: Full=Selenoprotein S; Short=SelS; AltName: Full=VCP-interacting membrane protein" . . . . . 100.00 189 98.59 98.59 5.00e-92 . . . . 18176 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 48 MET . 18176 1 2 49 GLN . 18176 1 3 50 LYS . 18176 1 4 51 LEU . 18176 1 5 52 SER . 18176 1 6 53 ALA . 18176 1 7 54 ARG . 18176 1 8 55 LEU . 18176 1 9 56 ARG . 18176 1 10 57 ALA . 18176 1 11 58 LEU . 18176 1 12 59 ARG . 18176 1 13 60 GLN . 18176 1 14 61 ARG . 18176 1 15 62 GLN . 18176 1 16 63 LEU . 18176 1 17 64 ASP . 18176 1 18 65 ARG . 18176 1 19 66 ALA . 18176 1 20 67 ALA . 18176 1 21 68 ALA . 18176 1 22 69 ALA . 18176 1 23 70 VAL . 18176 1 24 71 GLU . 18176 1 25 72 PRO . 18176 1 26 73 ASP . 18176 1 27 74 VAL . 18176 1 28 75 VAL . 18176 1 29 76 VAL . 18176 1 30 77 LYS . 18176 1 31 78 ARG . 18176 1 32 79 GLN . 18176 1 33 80 GLU . 18176 1 34 81 ALA . 18176 1 35 82 LEU . 18176 1 36 83 ALA . 18176 1 37 84 ALA . 18176 1 38 85 ALA . 18176 1 39 86 ARG . 18176 1 40 87 LEU . 18176 1 41 88 LYS . 18176 1 42 89 MET . 18176 1 43 90 GLN . 18176 1 44 91 GLU . 18176 1 45 92 GLU . 18176 1 46 93 LEU . 18176 1 47 94 ASN . 18176 1 48 95 ALA . 18176 1 49 96 GLN . 18176 1 50 97 VAL . 18176 1 51 98 GLU . 18176 1 52 99 LYS . 18176 1 53 100 HIS . 18176 1 54 101 LYS . 18176 1 55 102 GLU . 18176 1 56 103 LYS . 18176 1 57 104 LEU . 18176 1 58 105 LYS . 18176 1 59 106 GLN . 18176 1 60 107 LEU . 18176 1 61 108 GLU . 18176 1 62 109 GLU . 18176 1 63 110 GLU . 18176 1 64 111 LYS . 18176 1 65 112 ARG . 18176 1 66 113 ARG . 18176 1 67 114 GLN . 18176 1 68 115 LYS . 18176 1 69 116 ILE . 18176 1 70 117 GLU . 18176 1 71 118 MET . 18176 1 72 119 TRP . 18176 1 73 120 ASP . 18176 1 74 121 SER . 18176 1 75 122 MET . 18176 1 76 123 GLN . 18176 1 77 124 GLU . 18176 1 78 125 GLY . 18176 1 79 126 LYS . 18176 1 80 127 SER . 18176 1 81 128 TYR . 18176 1 82 129 LYS . 18176 1 83 130 GLY . 18176 1 84 131 ASN . 18176 1 85 132 ALA . 18176 1 86 133 LYS . 18176 1 87 134 LYS . 18176 1 88 135 PRO . 18176 1 89 136 GLN . 18176 1 90 137 GLU . 18176 1 91 138 GLU . 18176 1 92 139 ASP . 18176 1 93 140 SER . 18176 1 94 141 PRO . 18176 1 95 142 GLY . 18176 1 96 143 PRO . 18176 1 97 144 SER . 18176 1 98 145 THR . 18176 1 99 146 SER . 18176 1 100 147 SER . 18176 1 101 148 VAL . 18176 1 102 149 LEU . 18176 1 103 150 LYS . 18176 1 104 151 ARG . 18176 1 105 152 LYS . 18176 1 106 153 SER . 18176 1 107 154 ASP . 18176 1 108 155 ARG . 18176 1 109 156 LYS . 18176 1 110 157 PRO . 18176 1 111 158 LEU . 18176 1 112 159 ARG . 18176 1 113 160 GLY . 18176 1 114 161 GLY . 18176 1 115 162 GLY . 18176 1 116 163 TYR . 18176 1 117 164 ASN . 18176 1 118 165 PRO . 18176 1 119 166 LEU . 18176 1 120 167 SER . 18176 1 121 168 GLY . 18176 1 122 169 GLU . 18176 1 123 170 GLY . 18176 1 124 171 GLY . 18176 1 125 172 GLY . 18176 1 126 173 ALA . 18176 1 127 174 CYS . 18176 1 128 175 SER . 18176 1 129 176 TRP . 18176 1 130 177 ARG . 18176 1 131 178 PRO . 18176 1 132 179 GLY . 18176 1 133 180 ARG . 18176 1 134 181 ARG . 18176 1 135 182 GLY . 18176 1 136 183 PRO . 18176 1 137 184 SER . 18176 1 138 185 SER . 18176 1 139 186 GLY . 18176 1 140 187 GLY . 18176 1 141 188 CYS . 18176 1 142 189 GLY . 18176 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18176 1 . GLN 2 2 18176 1 . LYS 3 3 18176 1 . LEU 4 4 18176 1 . SER 5 5 18176 1 . ALA 6 6 18176 1 . ARG 7 7 18176 1 . LEU 8 8 18176 1 . ARG 9 9 18176 1 . ALA 10 10 18176 1 . LEU 11 11 18176 1 . ARG 12 12 18176 1 . GLN 13 13 18176 1 . ARG 14 14 18176 1 . GLN 15 15 18176 1 . LEU 16 16 18176 1 . ASP 17 17 18176 1 . ARG 18 18 18176 1 . ALA 19 19 18176 1 . ALA 20 20 18176 1 . ALA 21 21 18176 1 . ALA 22 22 18176 1 . VAL 23 23 18176 1 . GLU 24 24 18176 1 . PRO 25 25 18176 1 . ASP 26 26 18176 1 . VAL 27 27 18176 1 . VAL 28 28 18176 1 . VAL 29 29 18176 1 . LYS 30 30 18176 1 . ARG 31 31 18176 1 . GLN 32 32 18176 1 . GLU 33 33 18176 1 . ALA 34 34 18176 1 . LEU 35 35 18176 1 . ALA 36 36 18176 1 . ALA 37 37 18176 1 . ALA 38 38 18176 1 . ARG 39 39 18176 1 . LEU 40 40 18176 1 . LYS 41 41 18176 1 . MET 42 42 18176 1 . GLN 43 43 18176 1 . GLU 44 44 18176 1 . GLU 45 45 18176 1 . LEU 46 46 18176 1 . ASN 47 47 18176 1 . ALA 48 48 18176 1 . GLN 49 49 18176 1 . VAL 50 50 18176 1 . GLU 51 51 18176 1 . LYS 52 52 18176 1 . HIS 53 53 18176 1 . LYS 54 54 18176 1 . GLU 55 55 18176 1 . LYS 56 56 18176 1 . LEU 57 57 18176 1 . LYS 58 58 18176 1 . GLN 59 59 18176 1 . LEU 60 60 18176 1 . GLU 61 61 18176 1 . GLU 62 62 18176 1 . GLU 63 63 18176 1 . LYS 64 64 18176 1 . ARG 65 65 18176 1 . ARG 66 66 18176 1 . GLN 67 67 18176 1 . LYS 68 68 18176 1 . ILE 69 69 18176 1 . GLU 70 70 18176 1 . MET 71 71 18176 1 . TRP 72 72 18176 1 . ASP 73 73 18176 1 . SER 74 74 18176 1 . MET 75 75 18176 1 . GLN 76 76 18176 1 . GLU 77 77 18176 1 . GLY 78 78 18176 1 . LYS 79 79 18176 1 . SER 80 80 18176 1 . TYR 81 81 18176 1 . LYS 82 82 18176 1 . GLY 83 83 18176 1 . ASN 84 84 18176 1 . ALA 85 85 18176 1 . LYS 86 86 18176 1 . LYS 87 87 18176 1 . PRO 88 88 18176 1 . GLN 89 89 18176 1 . GLU 90 90 18176 1 . GLU 91 91 18176 1 . ASP 92 92 18176 1 . SER 93 93 18176 1 . PRO 94 94 18176 1 . GLY 95 95 18176 1 . PRO 96 96 18176 1 . SER 97 97 18176 1 . THR 98 98 18176 1 . SER 99 99 18176 1 . SER 100 100 18176 1 . VAL 101 101 18176 1 . LEU 102 102 18176 1 . LYS 103 103 18176 1 . ARG 104 104 18176 1 . LYS 105 105 18176 1 . SER 106 106 18176 1 . ASP 107 107 18176 1 . ARG 108 108 18176 1 . LYS 109 109 18176 1 . PRO 110 110 18176 1 . LEU 111 111 18176 1 . ARG 112 112 18176 1 . GLY 113 113 18176 1 . GLY 114 114 18176 1 . GLY 115 115 18176 1 . TYR 116 116 18176 1 . ASN 117 117 18176 1 . PRO 118 118 18176 1 . LEU 119 119 18176 1 . SER 120 120 18176 1 . GLY 121 121 18176 1 . GLU 122 122 18176 1 . GLY 123 123 18176 1 . GLY 124 124 18176 1 . GLY 125 125 18176 1 . ALA 126 126 18176 1 . CYS 127 127 18176 1 . SER 128 128 18176 1 . TRP 129 129 18176 1 . ARG 130 130 18176 1 . PRO 131 131 18176 1 . GLY 132 132 18176 1 . ARG 133 133 18176 1 . ARG 134 134 18176 1 . GLY 135 135 18176 1 . PRO 136 136 18176 1 . SER 137 137 18176 1 . SER 138 138 18176 1 . GLY 139 139 18176 1 . GLY 140 140 18176 1 . CYS 141 141 18176 1 . GLY 142 142 18176 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 18176 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $cVIMP-Cys_ox . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18176 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 18176 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $cVIMP-Cys_ox . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pLE358 . . . . . . 18176 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_cVIMP-Cys_ox_sample _Sample.Sf_category sample _Sample.Sf_framecode cVIMP-Cys_ox_sample _Sample.Entry_ID 18176 _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 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18176 1 2 DSS 'natural abundance' . . . . . . 1 . . % . . . . 18176 1 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18176 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18176 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18176 1 6 cVIMP-Cys '[U-100% 13C; U-100% 15N]' . . 1 $cVIMP-Cys_ox . . 291 . . uM . . . . 18176 1 7 GSSG 'natural abundance' . . . . . . 5 . . mM . . . . 18176 1 8 'sodium azide' 'natural abundance' . . . . . . 1 . . % . . . . 18176 1 9 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18176 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 18176 _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 7 . pH 18176 1 pressure 1 . atm 18176 1 temperature 273 . K 18176 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18176 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18176 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18176 1 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18176 _Software.ID 2 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18176 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18176 2 stop_ save_ save_CCPN-analysis _Software.Sf_category software _Software.Sf_framecode CCPN-analysis _Software.Entry_ID 18176 _Software.ID 3 _Software.Name CCPN-analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18176 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18176 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18176 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18176 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 18176 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 18176 1 2 spectrometer_2 Varian INOVA . 750 . . . 18176 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 18176 _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 $cVIMP-Cys_ox_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18176 1 2 '3D HNCO' no . . . . . . . . . . 1 $cVIMP-Cys_ox_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18176 1 3 '3D HNCA' no . . . . . . . . . . 1 $cVIMP-Cys_ox_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18176 1 4 '3D HNN' no . . . . . . . . . . 1 $cVIMP-Cys_ox_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18176 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 18176 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18176 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18176 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18176 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_cVIMP-Cys_ox _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_cVIMP-Cys_ox _Assigned_chem_shift_list.Entry_ID 18176 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18176 1 2 '3D HNCO' . . . 18176 1 3 '3D HNCA' . . . 18176 1 4 '3D HNN' . . . 18176 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLN C C 13 175.636 0.080 . 1 . . . . 49 Q C . 18176 1 2 . 1 1 2 2 GLN CA C 13 55.879 0.080 . 1 . . . . 49 Q CA . 18176 1 3 . 1 1 3 3 LYS H H 1 8.763 0.002 . 1 . . . . 50 K HN . 18176 1 4 . 1 1 3 3 LYS C C 13 176.718 0.080 . 1 . . . . 50 K C . 18176 1 5 . 1 1 3 3 LYS CA C 13 56.582 0.039 . 1 . . . . 50 K CA . 18176 1 6 . 1 1 3 3 LYS N N 15 124.784 0.009 . 1 . . . . 50 K N . 18176 1 7 . 1 1 4 4 LEU H H 1 8.593 0.002 . 1 . . . . 51 L HN . 18176 1 8 . 1 1 4 4 LEU C C 13 177.486 0.080 . 1 . . . . 51 L C . 18176 1 9 . 1 1 4 4 LEU CA C 13 55.535 0.028 . 1 . . . . 51 L CA . 18176 1 10 . 1 1 4 4 LEU N N 15 124.781 0.022 . 1 . . . . 51 L N . 18176 1 11 . 1 1 5 5 SER H H 1 8.337 0.001 . 1 . . . . 52 S HN . 18176 1 12 . 1 1 5 5 SER C C 13 175.008 0.080 . 1 . . . . 52 S C . 18176 1 13 . 1 1 5 5 SER CA C 13 58.347 0.015 . 1 . . . . 52 S CA . 18176 1 14 . 1 1 5 5 SER N N 15 117.537 0.027 . 1 . . . . 52 S N . 18176 1 15 . 1 1 6 6 ALA H H 1 8.709 0.003 . 1 . . . . 53 A HN . 18176 1 16 . 1 1 6 6 ALA C C 13 180.315 0.080 . 1 . . . . 53 A C . 18176 1 17 . 1 1 6 6 ALA CA C 13 55.005 0.063 . 1 . . . . 53 A CA . 18176 1 18 . 1 1 6 6 ALA N N 15 125.734 0.044 . 1 . . . . 53 A N . 18176 1 19 . 1 1 7 7 ARG H H 1 8.506 0.004 . 1 . . . . 54 R HN . 18176 1 20 . 1 1 7 7 ARG C C 13 178.618 0.080 . 1 . . . . 54 R C . 18176 1 21 . 1 1 7 7 ARG CA C 13 58.773 0.006 . 1 . . . . 54 R CA . 18176 1 22 . 1 1 7 7 ARG N N 15 119.630 0.026 . 1 . . . . 54 R N . 18176 1 23 . 1 1 8 8 LEU H H 1 8.012 0.003 . 1 . . . . 55 L HN . 18176 1 24 . 1 1 8 8 LEU C C 13 179.633 0.080 . 1 . . . . 55 L C . 18176 1 25 . 1 1 8 8 LEU CA C 13 57.232 0.037 . 1 . . . . 55 L CA . 18176 1 26 . 1 1 8 8 LEU N N 15 121.047 0.032 . 1 . . . . 55 L N . 18176 1 27 . 1 1 9 9 ARG H H 1 8.564 0.006 . 1 . . . . 56 R HN . 18176 1 28 . 1 1 9 9 ARG C C 13 178.499 0.080 . 1 . . . . 56 R C . 18176 1 29 . 1 1 9 9 ARG CA C 13 59.221 0.041 . 1 . . . . 56 R CA . 18176 1 30 . 1 1 9 9 ARG N N 15 121.334 0.031 . 1 . . . . 56 R N . 18176 1 31 . 1 1 10 10 ALA H H 1 8.065 0.003 . 1 . . . . 57 A HN . 18176 1 32 . 1 1 10 10 ALA C C 13 180.007 0.080 . 1 . . . . 57 A C . 18176 1 33 . 1 1 10 10 ALA CA C 13 54.523 0.002 . 1 . . . . 57 A CA . 18176 1 34 . 1 1 10 10 ALA N N 15 122.482 0.038 . 1 . . . . 57 A N . 18176 1 35 . 1 1 11 11 LEU H H 1 7.958 0.006 . 1 . . . . 58 L HN . 18176 1 36 . 1 1 11 11 LEU C C 13 179.113 0.080 . 1 . . . . 58 L C . 18176 1 37 . 1 1 11 11 LEU CA C 13 57.540 0.080 . 1 . . . . 58 L CA . 18176 1 38 . 1 1 11 11 LEU N N 15 120.490 0.027 . 1 . . . . 58 L N . 18176 1 39 . 1 1 12 12 ARG H H 1 8.156 0.005 . 1 . . . . 59 R HN . 18176 1 40 . 1 1 12 12 ARG C C 13 178.218 0.080 . 1 . . . . 59 R C . 18176 1 41 . 1 1 12 12 ARG CA C 13 58.198 0.030 . 1 . . . . 59 R CA . 18176 1 42 . 1 1 12 12 ARG N N 15 120.134 0.035 . 1 . . . . 59 R N . 18176 1 43 . 1 1 13 13 GLN H H 1 8.195 0.004 . 1 . . . . 60 Q HN . 18176 1 44 . 1 1 13 13 GLN C C 13 177.277 0.080 . 1 . . . . 60 Q C . 18176 1 45 . 1 1 13 13 GLN CA C 13 57.714 0.037 . 1 . . . . 60 Q CA . 18176 1 46 . 1 1 13 13 GLN N N 15 119.720 0.045 . 1 . . . . 60 Q N . 18176 1 47 . 1 1 14 14 ARG H H 1 8.148 0.005 . 1 . . . . 61 R HN . 18176 1 48 . 1 1 14 14 ARG C C 13 178.358 0.080 . 1 . . . . 61 R C . 18176 1 49 . 1 1 14 14 ARG CA C 13 58.473 0.002 . 1 . . . . 61 R CA . 18176 1 50 . 1 1 14 14 ARG N N 15 119.674 0.059 . 1 . . . . 61 R N . 18176 1 51 . 1 1 15 15 GLN H H 1 8.078 0.011 . 1 . . . . 62 Q HN . 18176 1 52 . 1 1 15 15 GLN C C 13 178.223 0.080 . 1 . . . . 62 Q C . 18176 1 53 . 1 1 15 15 GLN CA C 13 57.870 0.012 . 1 . . . . 62 Q CA . 18176 1 54 . 1 1 15 15 GLN N N 15 119.412 0.078 . 1 . . . . 62 Q N . 18176 1 55 . 1 1 16 16 LEU H H 1 8.200 0.008 . 1 . . . . 63 L HN . 18176 1 56 . 1 1 16 16 LEU C C 13 179.080 0.080 . 1 . . . . 63 L C . 18176 1 57 . 1 1 16 16 LEU CA C 13 56.983 0.080 . 1 . . . . 63 L CA . 18176 1 58 . 1 1 16 16 LEU N N 15 122.345 0.049 . 1 . . . . 63 L N . 18176 1 59 . 1 1 17 17 ASP H H 1 8.583 0.005 . 1 . . . . 64 D HN . 18176 1 60 . 1 1 17 17 ASP C C 13 177.997 0.080 . 1 . . . . 64 D C . 18176 1 61 . 1 1 17 17 ASP CA C 13 55.994 0.016 . 1 . . . . 64 D CA . 18176 1 62 . 1 1 17 17 ASP N N 15 121.163 0.031 . 1 . . . . 64 D N . 18176 1 63 . 1 1 18 18 ARG H H 1 8.185 0.003 . 1 . . . . 65 R HN . 18176 1 64 . 1 1 18 18 ARG C C 13 177.616 0.080 . 1 . . . . 65 R C . 18176 1 65 . 1 1 18 18 ARG CA C 13 57.667 0.015 . 1 . . . . 65 R CA . 18176 1 66 . 1 1 18 18 ARG N N 15 121.040 0.045 . 1 . . . . 65 R N . 18176 1 67 . 1 1 19 19 ALA H H 1 8.117 0.009 . 1 . . . . 66 A HN . 18176 1 68 . 1 1 19 19 ALA C C 13 178.728 0.080 . 1 . . . . 66 A C . 18176 1 69 . 1 1 19 19 ALA CA C 13 53.567 0.080 . 1 . . . . 66 A CA . 18176 1 70 . 1 1 19 19 ALA N N 15 123.442 0.064 . 1 . . . . 66 A N . 18176 1 71 . 1 1 20 20 ALA H H 1 8.104 0.005 . 1 . . . . 67 A HN . 18176 1 72 . 1 1 20 20 ALA C C 13 178.234 0.080 . 1 . . . . 67 A C . 18176 1 73 . 1 1 20 20 ALA CA C 13 53.132 0.041 . 1 . . . . 67 A CA . 18176 1 74 . 1 1 20 20 ALA N N 15 121.953 0.074 . 1 . . . . 67 A N . 18176 1 75 . 1 1 21 21 ALA H H 1 8.009 0.008 . 1 . . . . 68 A HN . 18176 1 76 . 1 1 21 21 ALA C C 13 177.695 0.080 . 1 . . . . 68 A C . 18176 1 77 . 1 1 21 21 ALA CA C 13 52.686 0.080 . 1 . . . . 68 A CA . 18176 1 78 . 1 1 21 21 ALA N N 15 121.954 0.062 . 1 . . . . 68 A N . 18176 1 79 . 1 1 22 22 ALA H H 1 8.075 0.009 . 1 . . . . 69 A HN . 18176 1 80 . 1 1 22 22 ALA C C 13 177.688 0.080 . 1 . . . . 69 A C . 18176 1 81 . 1 1 22 22 ALA CA C 13 52.575 0.002 . 1 . . . . 69 A CA . 18176 1 82 . 1 1 22 22 ALA N N 15 122.727 0.074 . 1 . . . . 69 A N . 18176 1 83 . 1 1 23 23 VAL H H 1 8.053 0.004 . 1 . . . . 70 V HN . 18176 1 84 . 1 1 23 23 VAL C C 13 176.141 0.080 . 1 . . . . 70 V C . 18176 1 85 . 1 1 23 23 VAL CA C 13 61.905 0.021 . 1 . . . . 70 V CA . 18176 1 86 . 1 1 23 23 VAL N N 15 119.153 0.036 . 1 . . . . 70 V N . 18176 1 87 . 1 1 24 24 GLU H H 1 8.593 0.001 . 1 . . . . 71 E HN . 18176 1 88 . 1 1 24 24 GLU CA C 13 54.611 0.080 . 1 . . . . 71 E CA . 18176 1 89 . 1 1 24 24 GLU N N 15 126.827 0.025 . 1 . . . . 71 E N . 18176 1 90 . 1 1 76 76 GLN C C 13 176.456 0.080 . 1 . . . . 123 Q C . 18176 1 91 . 1 1 77 77 GLU H H 1 8.385 0.005 . 1 . . . . 124 E HN . 18176 1 92 . 1 1 77 77 GLU C C 13 177.361 0.080 . 1 . . . . 124 E C . 18176 1 93 . 1 1 77 77 GLU CA C 13 57.196 0.053 . 1 . . . . 124 E CA . 18176 1 94 . 1 1 77 77 GLU N N 15 121.443 0.055 . 1 . . . . 124 E N . 18176 1 95 . 1 1 78 78 GLY H H 1 8.516 0.003 . 1 . . . . 125 G HN . 18176 1 96 . 1 1 78 78 GLY C C 13 174.535 0.080 . 1 . . . . 125 G C . 18176 1 97 . 1 1 78 78 GLY CA C 13 45.797 0.001 . 1 . . . . 125 G CA . 18176 1 98 . 1 1 78 78 GLY N N 15 109.944 0.046 . 1 . . . . 125 G N . 18176 1 99 . 1 1 79 79 LYS H H 1 8.156 0.003 . 1 . . . . 126 K HN . 18176 1 100 . 1 1 79 79 LYS C C 13 176.775 0.080 . 1 . . . . 126 K C . 18176 1 101 . 1 1 79 79 LYS CA C 13 56.406 0.009 . 1 . . . . 126 K CA . 18176 1 102 . 1 1 79 79 LYS N N 15 120.589 0.049 . 1 . . . . 126 K N . 18176 1 103 . 1 1 80 80 SER H H 1 8.393 0.002 . 1 . . . . 127 S HN . 18176 1 104 . 1 1 80 80 SER C C 13 174.211 0.080 . 1 . . . . 127 S C . 18176 1 105 . 1 1 80 80 SER CA C 13 58.209 0.080 . 1 . . . . 127 S CA . 18176 1 106 . 1 1 80 80 SER N N 15 116.393 0.079 . 1 . . . . 127 S N . 18176 1 107 . 1 1 81 81 TYR H H 1 8.349 0.006 . 1 . . . . 128 Y HN . 18176 1 108 . 1 1 81 81 TYR C C 13 175.884 0.080 . 1 . . . . 128 Y C . 18176 1 109 . 1 1 81 81 TYR CA C 13 58.166 0.080 . 1 . . . . 128 Y CA . 18176 1 110 . 1 1 81 81 TYR N N 15 122.959 0.042 . 1 . . . . 128 Y N . 18176 1 111 . 1 1 82 82 LYS H H 1 8.390 0.002 . 1 . . . . 129 K HN . 18176 1 112 . 1 1 82 82 LYS C C 13 176.803 0.080 . 1 . . . . 129 K C . 18176 1 113 . 1 1 82 82 LYS CA C 13 56.257 0.018 . 1 . . . . 129 K CA . 18176 1 114 . 1 1 82 82 LYS N N 15 124.510 0.015 . 1 . . . . 129 K N . 18176 1 115 . 1 1 83 83 GLY H H 1 7.785 0.007 . 1 . . . . 130 G HN . 18176 1 116 . 1 1 83 83 GLY C C 13 173.749 0.080 . 1 . . . . 130 G C . 18176 1 117 . 1 1 83 83 GLY CA C 13 45.573 0.007 . 1 . . . . 130 G CA . 18176 1 118 . 1 1 83 83 GLY N N 15 109.115 0.067 . 1 . . . . 130 G N . 18176 1 119 . 1 1 84 84 ASN H H 1 8.427 0.002 . 1 . . . . 131 N HN . 18176 1 120 . 1 1 84 84 ASN C C 13 175.168 0.080 . 1 . . . . 131 N C . 18176 1 121 . 1 1 84 84 ASN CA C 13 53.057 0.080 . 1 . . . . 131 N CA . 18176 1 122 . 1 1 84 84 ASN N N 15 118.699 0.071 . 1 . . . . 131 N N . 18176 1 123 . 1 1 85 85 ALA H H 1 8.394 0.002 . 1 . . . . 132 A HN . 18176 1 124 . 1 1 85 85 ALA C C 13 177.646 0.080 . 1 . . . . 132 A C . 18176 1 125 . 1 1 85 85 ALA CA C 13 52.753 0.031 . 1 . . . . 132 A CA . 18176 1 126 . 1 1 85 85 ALA N N 15 124.639 0.072 . 1 . . . . 132 A N . 18176 1 127 . 1 1 86 86 LYS H H 1 8.413 0.002 . 1 . . . . 133 K HN . 18176 1 128 . 1 1 86 86 LYS C C 13 176.483 0.080 . 1 . . . . 133 K C . 18176 1 129 . 1 1 86 86 LYS CA C 13 56.106 0.012 . 1 . . . . 133 K CA . 18176 1 130 . 1 1 86 86 LYS N N 15 121.033 0.039 . 1 . . . . 133 K N . 18176 1 131 . 1 1 87 87 LYS H H 1 8.501 0.002 . 1 . . . . 134 K HN . 18176 1 132 . 1 1 87 87 LYS CA C 13 54.354 0.080 . 1 . . . . 134 K CA . 18176 1 133 . 1 1 87 87 LYS N N 15 124.805 0.062 . 1 . . . . 134 K N . 18176 1 134 . 1 1 88 88 PRO C C 13 176.965 0.080 . 1 . . . . 135 P C . 18176 1 135 . 1 1 88 88 PRO CA C 13 63.254 0.080 . 1 . . . . 135 P CA . 18176 1 136 . 1 1 89 89 GLN H H 1 8.674 0.001 . 1 . . . . 136 Q HN . 18176 1 137 . 1 1 89 89 GLN C C 13 176.180 0.080 . 1 . . . . 136 Q C . 18176 1 138 . 1 1 89 89 GLN CA C 13 55.993 0.007 . 1 . . . . 136 Q CA . 18176 1 139 . 1 1 89 89 GLN N N 15 120.872 0.048 . 1 . . . . 136 Q N . 18176 1 140 . 1 1 90 90 GLU H H 1 8.639 0.002 . 1 . . . . 137 E HN . 18176 1 141 . 1 1 90 90 GLU C C 13 176.610 0.080 . 1 . . . . 137 E C . 18176 1 142 . 1 1 90 90 GLU CA C 13 56.681 0.080 . 1 . . . . 137 E CA . 18176 1 143 . 1 1 90 90 GLU N N 15 122.766 0.047 . 1 . . . . 137 E N . 18176 1 144 . 1 1 91 91 GLU H H 1 8.626 0.003 . 1 . . . . 138 E HN . 18176 1 145 . 1 1 91 91 GLU C C 13 176.221 0.080 . 1 . . . . 138 E C . 18176 1 146 . 1 1 91 91 GLU CA C 13 56.534 0.050 . 1 . . . . 138 E CA . 18176 1 147 . 1 1 91 91 GLU N N 15 121.967 0.041 . 1 . . . . 138 E N . 18176 1 148 . 1 1 92 92 ASP H H 1 8.556 0.001 . 1 . . . . 139 D HN . 18176 1 149 . 1 1 92 92 ASP C C 13 176.025 0.080 . 1 . . . . 139 D C . 18176 1 150 . 1 1 92 92 ASP CA C 13 54.432 0.035 . 1 . . . . 139 D CA . 18176 1 151 . 1 1 92 92 ASP N N 15 121.962 0.036 . 1 . . . . 139 D N . 18176 1 152 . 1 1 93 93 SER H H 1 8.397 0.002 . 1 . . . . 140 S HN . 18176 1 153 . 1 1 93 93 SER CA C 13 56.352 0.080 . 1 . . . . 140 S CA . 18176 1 154 . 1 1 93 93 SER N N 15 117.393 0.044 . 1 . . . . 140 S N . 18176 1 155 . 1 1 94 94 PRO C C 13 177.322 0.080 . 1 . . . . 141 P C . 18176 1 156 . 1 1 94 94 PRO CA C 13 63.373 0.080 . 1 . . . . 141 P CA . 18176 1 157 . 1 1 95 95 GLY H H 1 8.435 0.001 . 1 . . . . 142 G HN . 18176 1 158 . 1 1 95 95 GLY CA C 13 44.756 0.080 . 1 . . . . 142 G CA . 18176 1 159 . 1 1 95 95 GLY N N 15 109.614 0.048 . 1 . . . . 142 G N . 18176 1 160 . 1 1 96 96 PRO C C 13 177.448 0.080 . 1 . . . . 143 P C . 18176 1 161 . 1 1 96 96 PRO CA C 13 63.154 0.080 . 1 . . . . 143 P CA . 18176 1 162 . 1 1 97 97 SER H H 1 8.716 0.003 . 1 . . . . 144 S HN . 18176 1 163 . 1 1 97 97 SER C C 13 175.287 0.080 . 1 . . . . 144 S C . 18176 1 164 . 1 1 97 97 SER CA C 13 58.373 0.053 . 1 . . . . 144 S CA . 18176 1 165 . 1 1 97 97 SER N N 15 116.640 0.020 . 1 . . . . 144 S N . 18176 1 166 . 1 1 98 98 THR H H 1 8.403 0.005 . 1 . . . . 145 T HN . 18176 1 167 . 1 1 98 98 THR C C 13 174.890 0.080 . 1 . . . . 145 T C . 18176 1 168 . 1 1 98 98 THR CA C 13 62.084 0.004 . 1 . . . . 145 T CA . 18176 1 169 . 1 1 98 98 THR N N 15 116.274 0.072 . 1 . . . . 145 T N . 18176 1 170 . 1 1 99 99 SER H H 1 8.460 0.001 . 1 . . . . 146 S HN . 18176 1 171 . 1 1 99 99 SER C C 13 174.909 0.080 . 1 . . . . 146 S C . 18176 1 172 . 1 1 99 99 SER CA C 13 58.689 0.064 . 1 . . . . 146 S CA . 18176 1 173 . 1 1 99 99 SER N N 15 117.973 0.046 . 1 . . . . 146 S N . 18176 1 174 . 1 1 100 100 SER H H 1 8.515 0.002 . 1 . . . . 147 S HN . 18176 1 175 . 1 1 100 100 SER C C 13 174.840 0.080 . 1 . . . . 147 S C . 18176 1 176 . 1 1 100 100 SER CA C 13 58.782 0.014 . 1 . . . . 147 S CA . 18176 1 177 . 1 1 100 100 SER N N 15 118.706 0.044 . 1 . . . . 147 S N . 18176 1 178 . 1 1 101 101 VAL H H 1 8.195 0.002 . 1 . . . . 148 V HN . 18176 1 179 . 1 1 101 101 VAL C C 13 176.426 0.080 . 1 . . . . 148 V C . 18176 1 180 . 1 1 101 101 VAL CA C 13 62.845 0.024 . 1 . . . . 148 V CA . 18176 1 181 . 1 1 101 101 VAL N N 15 122.199 0.033 . 1 . . . . 148 V N . 18176 1 182 . 1 1 102 102 LEU H H 1 8.298 0.002 . 1 . . . . 149 L HN . 18176 1 183 . 1 1 102 102 LEU C C 13 177.436 0.080 . 1 . . . . 149 L C . 18176 1 184 . 1 1 102 102 LEU CA C 13 55.365 0.013 . 1 . . . . 149 L CA . 18176 1 185 . 1 1 102 102 LEU N N 15 125.377 0.029 . 1 . . . . 149 L N . 18176 1 186 . 1 1 103 103 LYS H H 1 8.364 0.001 . 1 . . . . 150 K HN . 18176 1 187 . 1 1 103 103 LYS C C 13 176.585 0.080 . 1 . . . . 150 K C . 18176 1 188 . 1 1 103 103 LYS CA C 13 56.371 0.028 . 1 . . . . 150 K CA . 18176 1 189 . 1 1 103 103 LYS N N 15 123.024 0.018 . 1 . . . . 150 K N . 18176 1 190 . 1 1 104 104 ARG H H 1 8.454 0.001 . 1 . . . . 151 R HN . 18176 1 191 . 1 1 104 104 ARG C C 13 176.703 0.080 . 1 . . . . 151 R C . 18176 1 192 . 1 1 104 104 ARG CA C 13 56.211 0.004 . 1 . . . . 151 R CA . 18176 1 193 . 1 1 104 104 ARG N N 15 122.989 0.071 . 1 . . . . 151 R N . 18176 1 194 . 1 1 105 105 LYS H H 1 8.623 0.001 . 1 . . . . 152 K HN . 18176 1 195 . 1 1 105 105 LYS C C 13 177.012 0.080 . 1 . . . . 152 K C . 18176 1 196 . 1 1 105 105 LYS CA C 13 56.972 0.008 . 1 . . . . 152 K CA . 18176 1 197 . 1 1 105 105 LYS N N 15 123.758 0.015 . 1 . . . . 152 K N . 18176 1 198 . 1 1 106 106 SER H H 1 8.499 0.001 . 1 . . . . 153 S HN . 18176 1 199 . 1 1 106 106 SER C C 13 174.477 0.080 . 1 . . . . 153 S C . 18176 1 200 . 1 1 106 106 SER CA C 13 58.488 0.003 . 1 . . . . 153 S CA . 18176 1 201 . 1 1 106 106 SER N N 15 116.856 0.027 . 1 . . . . 153 S N . 18176 1 202 . 1 1 107 107 ASP H H 1 8.449 0.002 . 1 . . . . 154 D HN . 18176 1 203 . 1 1 107 107 ASP C C 13 176.121 0.080 . 1 . . . . 154 D C . 18176 1 204 . 1 1 107 107 ASP CA C 13 54.393 0.001 . 1 . . . . 154 D CA . 18176 1 205 . 1 1 107 107 ASP N N 15 123.066 0.050 . 1 . . . . 154 D N . 18176 1 206 . 1 1 108 108 ARG H H 1 8.282 0.001 . 1 . . . . 155 R HN . 18176 1 207 . 1 1 108 108 ARG C C 13 176.180 0.080 . 1 . . . . 155 R C . 18176 1 208 . 1 1 108 108 ARG CA C 13 56.021 0.080 . 1 . . . . 155 R CA . 18176 1 209 . 1 1 108 108 ARG N N 15 121.210 0.028 . 1 . . . . 155 R N . 18176 1 210 . 1 1 109 109 LYS H H 1 8.532 0.002 . 1 . . . . 156 K HN . 18176 1 211 . 1 1 109 109 LYS CA C 13 54.436 0.080 . 1 . . . . 156 K CA . 18176 1 212 . 1 1 109 109 LYS N N 15 124.717 0.025 . 1 . . . . 156 K N . 18176 1 213 . 1 1 110 110 PRO C C 13 176.874 0.080 . 1 . . . . 157 P C . 18176 1 214 . 1 1 110 110 PRO CA C 13 62.892 0.080 . 1 . . . . 157 P CA . 18176 1 215 . 1 1 111 111 LEU H H 1 8.522 0.002 . 1 . . . . 158 L HN . 18176 1 216 . 1 1 111 111 LEU C C 13 177.687 0.080 . 1 . . . . 158 L C . 18176 1 217 . 1 1 111 111 LEU CA C 13 55.131 0.003 . 1 . . . . 158 L CA . 18176 1 218 . 1 1 111 111 LEU N N 15 123.056 0.034 . 1 . . . . 158 L N . 18176 1 219 . 1 1 112 112 ARG H H 1 8.566 0.001 . 1 . . . . 159 R HN . 18176 1 220 . 1 1 112 112 ARG C C 13 176.910 0.080 . 1 . . . . 159 R C . 18176 1 221 . 1 1 112 112 ARG CA C 13 56.232 0.021 . 1 . . . . 159 R CA . 18176 1 222 . 1 1 112 112 ARG N N 15 122.484 0.053 . 1 . . . . 159 R N . 18176 1 223 . 1 1 113 113 GLY H H 1 8.656 0.004 . 1 . . . . 160 G HN . 18176 1 224 . 1 1 113 113 GLY C C 13 174.793 0.080 . 1 . . . . 160 G C . 18176 1 225 . 1 1 113 113 GLY CA C 13 45.510 0.080 . 1 . . . . 160 G CA . 18176 1 226 . 1 1 113 113 GLY N N 15 110.842 0.049 . 1 . . . . 160 G N . 18176 1 227 . 1 1 114 114 GLY H H 1 8.484 0.003 . 1 . . . . 161 G HN . 18176 1 228 . 1 1 114 114 GLY C C 13 174.704 0.080 . 1 . . . . 161 G C . 18176 1 229 . 1 1 114 114 GLY CA C 13 45.575 0.008 . 1 . . . . 161 G CA . 18176 1 230 . 1 1 114 114 GLY N N 15 108.932 0.039 . 1 . . . . 161 G N . 18176 1 231 . 1 1 115 115 GLY H H 1 8.452 0.002 . 1 . . . . 162 G HN . 18176 1 232 . 1 1 115 115 GLY C C 13 173.592 0.080 . 1 . . . . 162 G C . 18176 1 233 . 1 1 115 115 GLY CA C 13 45.188 0.009 . 1 . . . . 162 G CA . 18176 1 234 . 1 1 115 115 GLY N N 15 108.891 0.040 . 1 . . . . 162 G N . 18176 1 235 . 1 1 116 116 TYR H H 1 8.218 0.001 . 1 . . . . 163 Y HN . 18176 1 236 . 1 1 116 116 TYR C C 13 174.985 0.080 . 1 . . . . 163 Y C . 18176 1 237 . 1 1 116 116 TYR CA C 13 58.051 0.056 . 1 . . . . 163 Y CA . 18176 1 238 . 1 1 116 116 TYR N N 15 120.559 0.058 . 1 . . . . 163 Y N . 18176 1 239 . 1 1 117 117 ASN H H 1 8.503 0.001 . 1 . . . . 164 N HN . 18176 1 240 . 1 1 117 117 ASN CA C 13 50.417 0.080 . 1 . . . . 164 N CA . 18176 1 241 . 1 1 117 117 ASN N N 15 124.227 0.030 . 1 . . . . 164 N N . 18176 1 242 . 1 1 118 118 PRO C C 13 177.203 0.080 . 1 . . . . 165 P C . 18176 1 243 . 1 1 118 118 PRO CA C 13 63.458 0.080 . 1 . . . . 165 P CA . 18176 1 244 . 1 1 119 119 LEU H H 1 8.225 0.002 . 1 . . . . 166 L HN . 18176 1 245 . 1 1 119 119 LEU C C 13 177.796 0.080 . 1 . . . . 166 L C . 18176 1 246 . 1 1 119 119 LEU CA C 13 55.234 0.001 . 1 . . . . 166 L CA . 18176 1 247 . 1 1 119 119 LEU N N 15 120.232 0.048 . 1 . . . . 166 L N . 18176 1 248 . 1 1 120 120 SER H H 1 8.050 0.003 . 1 . . . . 167 S HN . 18176 1 249 . 1 1 120 120 SER C C 13 175.323 0.080 . 1 . . . . 167 S C . 18176 1 250 . 1 1 120 120 SER CA C 13 58.687 0.020 . 1 . . . . 167 S CA . 18176 1 251 . 1 1 120 120 SER N N 15 115.444 0.033 . 1 . . . . 167 S N . 18176 1 252 . 1 1 121 121 GLY H H 1 8.489 0.010 . 1 . . . . 168 G HN . 18176 1 253 . 1 1 121 121 GLY C C 13 174.382 0.080 . 1 . . . . 168 G C . 18176 1 254 . 1 1 121 121 GLY CA C 13 45.624 0.007 . 1 . . . . 168 G CA . 18176 1 255 . 1 1 121 121 GLY N N 15 111.199 0.029 . 1 . . . . 168 G N . 18176 1 256 . 1 1 122 122 GLU H H 1 8.379 0.002 . 1 . . . . 169 E HN . 18176 1 257 . 1 1 122 122 GLU C C 13 177.271 0.080 . 1 . . . . 169 E C . 18176 1 258 . 1 1 122 122 GLU CA C 13 56.684 0.003 . 1 . . . . 169 E CA . 18176 1 259 . 1 1 122 122 GLU N N 15 120.710 0.043 . 1 . . . . 169 E N . 18176 1 260 . 1 1 123 123 GLY H H 1 8.678 0.002 . 1 . . . . 170 G HN . 18176 1 261 . 1 1 123 123 GLY C C 13 174.710 0.080 . 1 . . . . 170 G C . 18176 1 262 . 1 1 123 123 GLY CA C 13 45.692 0.080 . 1 . . . . 170 G CA . 18176 1 263 . 1 1 123 123 GLY N N 15 110.317 0.030 . 1 . . . . 170 G N . 18176 1 264 . 1 1 124 124 GLY H H 1 8.416 0.009 . 1 . . . . 171 G HN . 18176 1 265 . 1 1 124 124 GLY C C 13 174.968 0.080 . 1 . . . . 171 G C . 18176 1 266 . 1 1 124 124 GLY CA C 13 45.688 0.080 . 1 . . . . 171 G CA . 18176 1 267 . 1 1 124 124 GLY N N 15 108.906 0.118 . 1 . . . . 171 G N . 18176 1 268 . 1 1 125 125 GLY H H 1 8.437 0.003 . 1 . . . . 172 G HN . 18176 1 269 . 1 1 125 125 GLY C C 13 174.240 0.080 . 1 . . . . 172 G C . 18176 1 270 . 1 1 125 125 GLY CA C 13 45.460 0.025 . 1 . . . . 172 G CA . 18176 1 271 . 1 1 125 125 GLY N N 15 109.021 0.030 . 1 . . . . 172 G N . 18176 1 272 . 1 1 126 126 ALA H H 1 8.399 0.001 . 1 . . . . 173 A HN . 18176 1 273 . 1 1 126 126 ALA C C 13 177.972 0.080 . 1 . . . . 173 A C . 18176 1 274 . 1 1 126 126 ALA CA C 13 52.829 0.053 . 1 . . . . 173 A CA . 18176 1 275 . 1 1 126 126 ALA N N 15 123.831 0.033 . 1 . . . . 173 A N . 18176 1 276 . 1 1 127 127 CYS H H 1 8.548 0.002 . 1 . . . . 174 C HN . 18176 1 277 . 1 1 127 127 CYS C C 13 174.763 0.080 . 1 . . . . 174 C C . 18176 1 278 . 1 1 127 127 CYS CA C 13 55.293 0.015 . 1 . . . . 174 C CA . 18176 1 279 . 1 1 127 127 CYS N N 15 117.724 0.050 . 1 . . . . 174 C N . 18176 1 280 . 1 1 128 128 SER H H 1 8.462 0.001 . 1 . . . . 175 S HN . 18176 1 281 . 1 1 128 128 SER C C 13 173.873 0.080 . 1 . . . . 175 S C . 18176 1 282 . 1 1 128 128 SER CA C 13 58.746 0.080 . 1 . . . . 175 S CA . 18176 1 283 . 1 1 128 128 SER N N 15 118.499 0.038 . 1 . . . . 175 S N . 18176 1 284 . 1 1 129 129 TRP H H 1 8.363 0.004 . 1 . . . . 176 W HN . 18176 1 285 . 1 1 129 129 TRP C C 13 175.825 0.080 . 1 . . . . 176 W C . 18176 1 286 . 1 1 129 129 TRP CA C 13 57.817 0.030 . 1 . . . . 176 W CA . 18176 1 287 . 1 1 129 129 TRP N N 15 123.800 0.043 . 1 . . . . 176 W N . 18176 1 288 . 1 1 130 130 ARG H H 1 7.872 0.005 . 1 . . . . 177 R HN . 18176 1 289 . 1 1 130 130 ARG CA C 13 53.646 0.080 . 1 . . . . 177 R CA . 18176 1 290 . 1 1 130 130 ARG N N 15 124.701 0.047 . 1 . . . . 177 R N . 18176 1 291 . 1 1 131 131 PRO C C 13 177.596 0.080 . 1 . . . . 178 P C . 18176 1 292 . 1 1 131 131 PRO CA C 13 63.392 0.080 . 1 . . . . 178 P CA . 18176 1 293 . 1 1 132 132 GLY H H 1 8.652 0.019 . 1 . . . . 179 G HN . 18176 1 294 . 1 1 132 132 GLY C C 13 174.366 0.080 . 1 . . . . 179 G C . 18176 1 295 . 1 1 132 132 GLY CA C 13 45.470 0.056 . 1 . . . . 179 G CA . 18176 1 296 . 1 1 132 132 GLY N N 15 110.278 0.032 . 1 . . . . 179 G N . 18176 1 297 . 1 1 133 133 ARG H H 1 8.190 0.001 . 1 . . . . 180 R HN . 18176 1 298 . 1 1 133 133 ARG C C 13 176.355 0.080 . 1 . . . . 180 R C . 18176 1 299 . 1 1 133 133 ARG CA C 13 56.014 0.046 . 1 . . . . 180 R CA . 18176 1 300 . 1 1 133 133 ARG N N 15 120.612 0.035 . 1 . . . . 180 R N . 18176 1 301 . 1 1 134 134 ARG H H 1 8.580 0.002 . 1 . . . . 181 R HN . 18176 1 302 . 1 1 134 134 ARG C C 13 176.391 0.080 . 1 . . . . 181 R C . 18176 1 303 . 1 1 134 134 ARG CA C 13 55.973 0.080 . 1 . . . . 181 R CA . 18176 1 304 . 1 1 134 134 ARG N N 15 122.578 0.020 . 1 . . . . 181 R N . 18176 1 305 . 1 1 135 135 GLY H H 1 8.281 0.001 . 1 . . . . 182 G HN . 18176 1 306 . 1 1 135 135 GLY CA C 13 44.942 0.080 . 1 . . . . 182 G CA . 18176 1 307 . 1 1 135 135 GLY N N 15 110.234 0.051 . 1 . . . . 182 G N . 18176 1 308 . 1 1 136 136 PRO C C 13 177.693 0.080 . 1 . . . . 183 P C . 18176 1 309 . 1 1 137 137 SER H H 1 8.705 0.002 . 1 . . . . 184 S HN . 18176 1 310 . 1 1 137 137 SER C C 13 174.487 0.080 . 1 . . . . 184 S C . 18176 1 311 . 1 1 137 137 SER CA C 13 58.667 0.012 . 1 . . . . 184 S CA . 18176 1 312 . 1 1 137 137 SER N N 15 116.339 0.019 . 1 . . . . 184 S N . 18176 1 313 . 1 1 138 138 SER H H 1 8.358 0.001 . 1 . . . . 185 S HN . 18176 1 314 . 1 1 138 138 SER C C 13 175.098 0.080 . 1 . . . . 185 S C . 18176 1 315 . 1 1 138 138 SER CA C 13 58.610 0.006 . 1 . . . . 185 S CA . 18176 1 316 . 1 1 138 138 SER N N 15 117.285 0.053 . 1 . . . . 185 S N . 18176 1 317 . 1 1 139 139 GLY H H 1 8.474 0.002 . 1 . . . . 186 G HN . 18176 1 318 . 1 1 139 139 GLY C C 13 174.561 0.080 . 1 . . . . 186 G C . 18176 1 319 . 1 1 139 139 GLY CA C 13 45.604 0.067 . 1 . . . . 186 G CA . 18176 1 320 . 1 1 139 139 GLY N N 15 110.695 0.022 . 1 . . . . 186 G N . 18176 1 321 . 1 1 140 140 GLY H H 1 8.284 0.003 . 1 . . . . 187 G HN . 18176 1 322 . 1 1 140 140 GLY C C 13 174.260 0.080 . 1 . . . . 187 G C . 18176 1 323 . 1 1 140 140 GLY CA C 13 45.486 0.023 . 1 . . . . 187 G CA . 18176 1 324 . 1 1 140 140 GLY N N 15 108.493 0.024 . 1 . . . . 187 G N . 18176 1 325 . 1 1 141 141 CYS H H 1 8.482 0.002 . 1 . . . . 188 C HN . 18176 1 326 . 1 1 141 141 CYS C C 13 174.374 0.080 . 1 . . . . 188 C C . 18176 1 327 . 1 1 141 141 CYS CA C 13 55.296 0.022 . 1 . . . . 188 C CA . 18176 1 328 . 1 1 141 141 CYS N N 15 118.662 0.044 . 1 . . . . 188 C N . 18176 1 329 . 1 1 142 142 GLY H H 1 8.334 0.003 . 1 . . . . 189 G HN . 18176 1 330 . 1 1 142 142 GLY CA C 13 46.485 0.080 . 1 . . . . 189 G CA . 18176 1 331 . 1 1 142 142 GLY N N 15 116.990 0.034 . 1 . . . . 189 G N . 18176 1 stop_ save_