data_18257 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18257 _Entry.Title ; E. coli DmsD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-11 _Entry.Accession_date 2012-02-11 _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 'E. Coli Chaperone Protein' _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 Stevens Charles . M. . 18257 2 Okon Mark . . . 18257 3 Lawrence McIntosh . P. . 18257 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 4 18257 heteronucl_NOEs 2 18257 heteronucl_T1_relaxation 2 18257 heteronucl_T2_relaxation 2 18257 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1203 18257 '15N chemical shifts' 437 18257 '1H chemical shifts' 439 18257 'heteronuclear NOE values' 177 18257 'T1 relaxation values' 177 18257 'T2 relaxation values' 177 18257 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 . . 2014-02-24 2012-02-13 update BMRB 'update entry citation' 18257 1 . . 2012-09-14 2012-02-13 original author 'original release' 18257 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18257 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22766963 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignments and peptide binding site chemical shift perturbation mapping for the Escherichia coli redox enzyme chaperone DmsD.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 193 _Citation.Page_last 197 _Citation.Year 2013 _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 Charles Stevens . M. . 18257 1 2 Mark Okon . . . 18257 1 3 Lawrence McIntosh . P. . 18257 1 4 Mark Paetzel . . . 18257 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Chaperone 18257 1 DmsD 18257 1 REMP 18257 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18257 _Assembly.ID 1 _Assembly.Name DmsD _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 DmsD 1 $DmsD A . yes native no no . . . 18257 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DmsD _Entity.Sf_category entity _Entity.Sf_framecode DmsD _Entity.Entry_ID 18257 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DmsD _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 ; MGSHHHHHHSSGLVPRGSHM THFSQQDNFSVAARVLGALF YYAPESAEAAPLVAVLTSDG WETQWPLPEASLAPLVTAFQ TQCEETHAQAWQRLFVGPWA LPSPPWGSVWLDRESVLFGD STLALRQWMREKGIQFEMKQ NEPEDHFGSLLLMAAWLAEN GRQTECEELLAWHLFPWSTR FLDVFIEKAEHPFYRALGEL ARLTLAQWQSQLLIPVAVKP LFR ; _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 223 _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 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 yes UNP P69853 . DMSD_ECOLI . . . . . . . . . . . . . . 18257 1 2 no PDB 3CW0 . "E.Coli Dmsd" . . . . . 91.48 208 100.00 100.00 1.20e-143 . . . . 18257 1 3 no PDB 3EFP . "Crystal Structure Of The Escherichia Coli Twin Arginine Leader Peptide Binding Protein Dmsd In A Monomeric Form" . . . . . 93.27 208 98.56 98.56 7.60e-144 . . . . 18257 1 4 no PDB 3U41 . "Crystal Structure Of Escherichia Coli Dmsd In Space Group P212121" . . . . . 92.83 207 100.00 100.00 5.65e-146 . . . . 18257 1 5 no DBJ BAA15315 . "twin-argninine leader-binding protein for DmsA and TorA [Escherichia coli str. K12 substr. W3110]" . . . . . 91.48 204 100.00 100.00 1.64e-143 . . . . 18257 1 6 no DBJ BAB35720 . "putative oxidoreductase component [Escherichia coli O157:H7 str. Sakai]" . . . . . 91.48 207 100.00 100.00 1.45e-143 . . . . 18257 1 7 no DBJ BAG77236 . "putative dimethyl sulfoxide reductase component [Escherichia coli SE11]" . . . . . 91.48 204 100.00 100.00 1.64e-143 . . . . 18257 1 8 no DBJ BAI25543 . "twin-argninine leader-binding protein for DmsA and TorA [Escherichia coli O26:H11 str. 11368]" . . . . . 91.48 204 100.00 100.00 1.64e-143 . . . . 18257 1 9 no DBJ BAI30539 . "twin-argninine leader-binding protein for DmsA and TorA [Escherichia coli O103:H2 str. 12009]" . . . . . 91.48 204 100.00 100.00 1.64e-143 . . . . 18257 1 10 no EMBL CAP76090 . "Twin-arginine leader-binding protein dmsD [Escherichia coli LF82]" . . . . . 91.48 204 99.02 99.02 2.12e-141 . . . . 18257 1 11 no EMBL CAQ32067 . "DMS reductase maturation protein [Escherichia coli BL21(DE3)]" . . . . . 91.48 204 100.00 100.00 1.64e-143 . . . . 18257 1 12 no EMBL CAQ98498 . "twin-argninine leader-binding protein for DmsA and TorA [Escherichia coli IAI1]" . . . . . 91.48 204 100.00 100.00 1.64e-143 . . . . 18257 1 13 no EMBL CAR02951 . "twin-argninine leader-binding protein for DmsA and TorA [Escherichia coli S88]" . . . . . 91.48 204 98.53 99.02 5.32e-141 . . . . 18257 1 14 no EMBL CAR07954 . "twin-argninine leader-binding protein for DmsA and TorA [Escherichia coli ED1a]" . . . . . 91.48 204 99.02 99.02 2.12e-141 . . . . 18257 1 15 no GB AAC74663 . "twin-argninine leader-binding protein for DmsA and TorA [Escherichia coli str. K-12 substr. MG1655]" . . . . . 91.48 204 100.00 100.00 1.64e-143 . . . . 18257 1 16 no GB AAG56578 . "putative oxidoreductase component [Escherichia coli O157:H7 str. EDL933]" . . . . . 91.48 207 99.51 99.51 1.12e-142 . . . . 18257 1 17 no GB AAN43196 . "putative oxidoreductase component [Shigella flexneri 2a str. 301]" . . . . . 91.48 204 100.00 100.00 1.64e-143 . . . . 18257 1 18 no GB AAN80442 . "Hypothetical protein ynfI precursor [Escherichia coli CFT073]" . . . . . 91.48 207 99.02 99.02 2.02e-141 . . . . 18257 1 19 no GB AAP17084 . "putative oxidoreductase component [Shigella flexneri 2a str. 2457T]" . . . . . 91.48 204 100.00 100.00 1.64e-143 . . . . 18257 1 20 no PIR F85764 . "probable oxidoreductase component Z2581 [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" . . . . . 91.48 207 99.51 99.51 1.12e-142 . . . . 18257 1 21 no REF NP_310324 . "twin-argninine leader-binding protein DmsD [Escherichia coli O157:H7 str. Sakai]" . . . . . 91.48 204 100.00 100.00 1.64e-143 . . . . 18257 1 22 no REF NP_416108 . "twin-argninine leader-binding protein for DmsA and TorA [Escherichia coli str. K-12 substr. MG1655]" . . . . . 91.48 204 100.00 100.00 1.64e-143 . . . . 18257 1 23 no REF NP_707489 . "twin-argninine leader-binding protein DmsD [Shigella flexneri 2a str. 301]" . . . . . 91.48 204 100.00 100.00 1.64e-143 . . . . 18257 1 24 no REF WP_000148687 . "twin-argninine leader-binding protein DmsD [Escherichia sp. TW15838]" . . . . . 91.48 204 97.06 97.06 1.97e-138 . . . . 18257 1 25 no REF WP_000148688 . "Tat proofreading chaperone DmsD [Escherichia coli]" . . . . . 91.48 204 99.51 100.00 2.15e-143 . . . . 18257 1 26 no SP P69853 . "RecName: Full=Tat proofreading chaperone DmsD; AltName: Full=DMSO reductase maturation protein; AltName: Full=Twin-arginine lea" . . . . . 91.48 204 100.00 100.00 1.64e-143 . . . . 18257 1 27 no SP P69854 . "RecName: Full=Tat proofreading chaperone DmsD; AltName: Full=DMSO reductase maturation protein; AltName: Full=Twin-arginine lea" . . . . . 91.48 204 100.00 100.00 1.64e-143 . . . . 18257 1 28 no SP P69855 . "RecName: Full=Tat proofreading chaperone DmsD; AltName: Full=DMSO reductase maturation protein; AltName: Full=Twin-arginine lea" . . . . . 91.48 204 100.00 100.00 1.64e-143 . . . . 18257 1 29 no SP Q8CW16 . "RecName: Full=Tat proofreading chaperone DmsD; AltName: Full=DMSO reductase maturation protein; AltName: Full=Twin-arginine lea" . . . . . 91.48 204 99.02 99.02 2.12e-141 . . . . 18257 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Chaperone 18257 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 . MET . 18257 1 2 . GLY . 18257 1 3 . SER . 18257 1 4 . HIS . 18257 1 5 . HIS . 18257 1 6 . HIS . 18257 1 7 . HIS . 18257 1 8 . HIS . 18257 1 9 . HIS . 18257 1 10 . SER . 18257 1 11 . SER . 18257 1 12 . GLY . 18257 1 13 . LEU . 18257 1 14 . VAL . 18257 1 15 . PRO . 18257 1 16 . ARG . 18257 1 17 . GLY . 18257 1 18 . SER . 18257 1 19 . HIS . 18257 1 20 1 MET . 18257 1 21 2 THR . 18257 1 22 3 HIS . 18257 1 23 4 PHE . 18257 1 24 5 SER . 18257 1 25 6 GLN . 18257 1 26 7 GLN . 18257 1 27 8 ASP . 18257 1 28 9 ASN . 18257 1 29 10 PHE . 18257 1 30 11 SER . 18257 1 31 12 VAL . 18257 1 32 13 ALA . 18257 1 33 14 ALA . 18257 1 34 15 ARG . 18257 1 35 16 VAL . 18257 1 36 17 LEU . 18257 1 37 18 GLY . 18257 1 38 19 ALA . 18257 1 39 20 LEU . 18257 1 40 21 PHE . 18257 1 41 22 TYR . 18257 1 42 23 TYR . 18257 1 43 24 ALA . 18257 1 44 25 PRO . 18257 1 45 26 GLU . 18257 1 46 27 SER . 18257 1 47 28 ALA . 18257 1 48 29 GLU . 18257 1 49 30 ALA . 18257 1 50 31 ALA . 18257 1 51 32 PRO . 18257 1 52 33 LEU . 18257 1 53 34 VAL . 18257 1 54 35 ALA . 18257 1 55 36 VAL . 18257 1 56 37 LEU . 18257 1 57 38 THR . 18257 1 58 39 SER . 18257 1 59 40 ASP . 18257 1 60 41 GLY . 18257 1 61 42 TRP . 18257 1 62 43 GLU . 18257 1 63 44 THR . 18257 1 64 45 GLN . 18257 1 65 46 TRP . 18257 1 66 47 PRO . 18257 1 67 48 LEU . 18257 1 68 49 PRO . 18257 1 69 50 GLU . 18257 1 70 51 ALA . 18257 1 71 52 SER . 18257 1 72 53 LEU . 18257 1 73 54 ALA . 18257 1 74 55 PRO . 18257 1 75 56 LEU . 18257 1 76 57 VAL . 18257 1 77 58 THR . 18257 1 78 59 ALA . 18257 1 79 60 PHE . 18257 1 80 61 GLN . 18257 1 81 62 THR . 18257 1 82 63 GLN . 18257 1 83 64 CYS . 18257 1 84 65 GLU . 18257 1 85 66 GLU . 18257 1 86 67 THR . 18257 1 87 68 HIS . 18257 1 88 69 ALA . 18257 1 89 70 GLN . 18257 1 90 71 ALA . 18257 1 91 72 TRP . 18257 1 92 73 GLN . 18257 1 93 74 ARG . 18257 1 94 75 LEU . 18257 1 95 76 PHE . 18257 1 96 77 VAL . 18257 1 97 78 GLY . 18257 1 98 79 PRO . 18257 1 99 80 TRP . 18257 1 100 81 ALA . 18257 1 101 82 LEU . 18257 1 102 83 PRO . 18257 1 103 84 SER . 18257 1 104 85 PRO . 18257 1 105 86 PRO . 18257 1 106 87 TRP . 18257 1 107 88 GLY . 18257 1 108 89 SER . 18257 1 109 90 VAL . 18257 1 110 91 TRP . 18257 1 111 92 LEU . 18257 1 112 93 ASP . 18257 1 113 94 ARG . 18257 1 114 95 GLU . 18257 1 115 96 SER . 18257 1 116 97 VAL . 18257 1 117 98 LEU . 18257 1 118 99 PHE . 18257 1 119 100 GLY . 18257 1 120 101 ASP . 18257 1 121 102 SER . 18257 1 122 103 THR . 18257 1 123 104 LEU . 18257 1 124 105 ALA . 18257 1 125 106 LEU . 18257 1 126 107 ARG . 18257 1 127 108 GLN . 18257 1 128 109 TRP . 18257 1 129 110 MET . 18257 1 130 111 ARG . 18257 1 131 112 GLU . 18257 1 132 113 LYS . 18257 1 133 114 GLY . 18257 1 134 115 ILE . 18257 1 135 116 GLN . 18257 1 136 117 PHE . 18257 1 137 118 GLU . 18257 1 138 119 MET . 18257 1 139 120 LYS . 18257 1 140 121 GLN . 18257 1 141 122 ASN . 18257 1 142 123 GLU . 18257 1 143 124 PRO . 18257 1 144 125 GLU . 18257 1 145 126 ASP . 18257 1 146 127 HIS . 18257 1 147 128 PHE . 18257 1 148 129 GLY . 18257 1 149 130 SER . 18257 1 150 131 LEU . 18257 1 151 132 LEU . 18257 1 152 133 LEU . 18257 1 153 134 MET . 18257 1 154 135 ALA . 18257 1 155 136 ALA . 18257 1 156 137 TRP . 18257 1 157 138 LEU . 18257 1 158 139 ALA . 18257 1 159 140 GLU . 18257 1 160 141 ASN . 18257 1 161 142 GLY . 18257 1 162 143 ARG . 18257 1 163 144 GLN . 18257 1 164 145 THR . 18257 1 165 146 GLU . 18257 1 166 147 CYS . 18257 1 167 148 GLU . 18257 1 168 149 GLU . 18257 1 169 150 LEU . 18257 1 170 151 LEU . 18257 1 171 152 ALA . 18257 1 172 153 TRP . 18257 1 173 154 HIS . 18257 1 174 155 LEU . 18257 1 175 156 PHE . 18257 1 176 157 PRO . 18257 1 177 158 TRP . 18257 1 178 159 SER . 18257 1 179 160 THR . 18257 1 180 161 ARG . 18257 1 181 162 PHE . 18257 1 182 163 LEU . 18257 1 183 164 ASP . 18257 1 184 165 VAL . 18257 1 185 166 PHE . 18257 1 186 167 ILE . 18257 1 187 168 GLU . 18257 1 188 169 LYS . 18257 1 189 170 ALA . 18257 1 190 171 GLU . 18257 1 191 172 HIS . 18257 1 192 173 PRO . 18257 1 193 174 PHE . 18257 1 194 175 TYR . 18257 1 195 176 ARG . 18257 1 196 177 ALA . 18257 1 197 178 LEU . 18257 1 198 179 GLY . 18257 1 199 180 GLU . 18257 1 200 181 LEU . 18257 1 201 182 ALA . 18257 1 202 183 ARG . 18257 1 203 184 LEU . 18257 1 204 185 THR . 18257 1 205 186 LEU . 18257 1 206 187 ALA . 18257 1 207 188 GLN . 18257 1 208 189 TRP . 18257 1 209 190 GLN . 18257 1 210 191 SER . 18257 1 211 192 GLN . 18257 1 212 193 LEU . 18257 1 213 194 LEU . 18257 1 214 195 ILE . 18257 1 215 196 PRO . 18257 1 216 197 VAL . 18257 1 217 198 ALA . 18257 1 218 199 VAL . 18257 1 219 200 LYS . 18257 1 220 201 PRO . 18257 1 221 202 LEU . 18257 1 222 203 PHE . 18257 1 223 204 ARG . 18257 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 18257 1 . GLY 2 2 18257 1 . SER 3 3 18257 1 . HIS 4 4 18257 1 . HIS 5 5 18257 1 . HIS 6 6 18257 1 . HIS 7 7 18257 1 . HIS 8 8 18257 1 . HIS 9 9 18257 1 . SER 10 10 18257 1 . SER 11 11 18257 1 . GLY 12 12 18257 1 . LEU 13 13 18257 1 . VAL 14 14 18257 1 . PRO 15 15 18257 1 . ARG 16 16 18257 1 . GLY 17 17 18257 1 . SER 18 18 18257 1 . HIS 19 19 18257 1 . MET 20 20 18257 1 . THR 21 21 18257 1 . HIS 22 22 18257 1 . PHE 23 23 18257 1 . SER 24 24 18257 1 . GLN 25 25 18257 1 . GLN 26 26 18257 1 . ASP 27 27 18257 1 . ASN 28 28 18257 1 . PHE 29 29 18257 1 . SER 30 30 18257 1 . VAL 31 31 18257 1 . ALA 32 32 18257 1 . ALA 33 33 18257 1 . ARG 34 34 18257 1 . VAL 35 35 18257 1 . LEU 36 36 18257 1 . GLY 37 37 18257 1 . ALA 38 38 18257 1 . LEU 39 39 18257 1 . PHE 40 40 18257 1 . TYR 41 41 18257 1 . TYR 42 42 18257 1 . ALA 43 43 18257 1 . PRO 44 44 18257 1 . GLU 45 45 18257 1 . SER 46 46 18257 1 . ALA 47 47 18257 1 . GLU 48 48 18257 1 . ALA 49 49 18257 1 . ALA 50 50 18257 1 . PRO 51 51 18257 1 . LEU 52 52 18257 1 . VAL 53 53 18257 1 . ALA 54 54 18257 1 . VAL 55 55 18257 1 . LEU 56 56 18257 1 . THR 57 57 18257 1 . SER 58 58 18257 1 . ASP 59 59 18257 1 . GLY 60 60 18257 1 . TRP 61 61 18257 1 . GLU 62 62 18257 1 . THR 63 63 18257 1 . GLN 64 64 18257 1 . TRP 65 65 18257 1 . PRO 66 66 18257 1 . LEU 67 67 18257 1 . PRO 68 68 18257 1 . GLU 69 69 18257 1 . ALA 70 70 18257 1 . SER 71 71 18257 1 . LEU 72 72 18257 1 . ALA 73 73 18257 1 . PRO 74 74 18257 1 . LEU 75 75 18257 1 . VAL 76 76 18257 1 . THR 77 77 18257 1 . ALA 78 78 18257 1 . PHE 79 79 18257 1 . GLN 80 80 18257 1 . THR 81 81 18257 1 . GLN 82 82 18257 1 . CYS 83 83 18257 1 . GLU 84 84 18257 1 . GLU 85 85 18257 1 . THR 86 86 18257 1 . HIS 87 87 18257 1 . ALA 88 88 18257 1 . GLN 89 89 18257 1 . ALA 90 90 18257 1 . TRP 91 91 18257 1 . GLN 92 92 18257 1 . ARG 93 93 18257 1 . LEU 94 94 18257 1 . PHE 95 95 18257 1 . VAL 96 96 18257 1 . GLY 97 97 18257 1 . PRO 98 98 18257 1 . TRP 99 99 18257 1 . ALA 100 100 18257 1 . LEU 101 101 18257 1 . PRO 102 102 18257 1 . SER 103 103 18257 1 . PRO 104 104 18257 1 . PRO 105 105 18257 1 . TRP 106 106 18257 1 . GLY 107 107 18257 1 . SER 108 108 18257 1 . VAL 109 109 18257 1 . TRP 110 110 18257 1 . LEU 111 111 18257 1 . ASP 112 112 18257 1 . ARG 113 113 18257 1 . GLU 114 114 18257 1 . SER 115 115 18257 1 . VAL 116 116 18257 1 . LEU 117 117 18257 1 . PHE 118 118 18257 1 . GLY 119 119 18257 1 . ASP 120 120 18257 1 . SER 121 121 18257 1 . THR 122 122 18257 1 . LEU 123 123 18257 1 . ALA 124 124 18257 1 . LEU 125 125 18257 1 . ARG 126 126 18257 1 . GLN 127 127 18257 1 . TRP 128 128 18257 1 . MET 129 129 18257 1 . ARG 130 130 18257 1 . GLU 131 131 18257 1 . LYS 132 132 18257 1 . GLY 133 133 18257 1 . ILE 134 134 18257 1 . GLN 135 135 18257 1 . PHE 136 136 18257 1 . GLU 137 137 18257 1 . MET 138 138 18257 1 . LYS 139 139 18257 1 . GLN 140 140 18257 1 . ASN 141 141 18257 1 . GLU 142 142 18257 1 . PRO 143 143 18257 1 . GLU 144 144 18257 1 . ASP 145 145 18257 1 . HIS 146 146 18257 1 . PHE 147 147 18257 1 . GLY 148 148 18257 1 . SER 149 149 18257 1 . LEU 150 150 18257 1 . LEU 151 151 18257 1 . LEU 152 152 18257 1 . MET 153 153 18257 1 . ALA 154 154 18257 1 . ALA 155 155 18257 1 . TRP 156 156 18257 1 . LEU 157 157 18257 1 . ALA 158 158 18257 1 . GLU 159 159 18257 1 . ASN 160 160 18257 1 . GLY 161 161 18257 1 . ARG 162 162 18257 1 . GLN 163 163 18257 1 . THR 164 164 18257 1 . GLU 165 165 18257 1 . CYS 166 166 18257 1 . GLU 167 167 18257 1 . GLU 168 168 18257 1 . LEU 169 169 18257 1 . LEU 170 170 18257 1 . ALA 171 171 18257 1 . TRP 172 172 18257 1 . HIS 173 173 18257 1 . LEU 174 174 18257 1 . PHE 175 175 18257 1 . PRO 176 176 18257 1 . TRP 177 177 18257 1 . SER 178 178 18257 1 . THR 179 179 18257 1 . ARG 180 180 18257 1 . PHE 181 181 18257 1 . LEU 182 182 18257 1 . ASP 183 183 18257 1 . VAL 184 184 18257 1 . PHE 185 185 18257 1 . ILE 186 186 18257 1 . GLU 187 187 18257 1 . LYS 188 188 18257 1 . ALA 189 189 18257 1 . GLU 190 190 18257 1 . HIS 191 191 18257 1 . PRO 192 192 18257 1 . PHE 193 193 18257 1 . TYR 194 194 18257 1 . ARG 195 195 18257 1 . ALA 196 196 18257 1 . LEU 197 197 18257 1 . GLY 198 198 18257 1 . GLU 199 199 18257 1 . LEU 200 200 18257 1 . ALA 201 201 18257 1 . ARG 202 202 18257 1 . LEU 203 203 18257 1 . THR 204 204 18257 1 . LEU 205 205 18257 1 . ALA 206 206 18257 1 . GLN 207 207 18257 1 . TRP 208 208 18257 1 . GLN 209 209 18257 1 . SER 210 210 18257 1 . GLN 211 211 18257 1 . LEU 212 212 18257 1 . LEU 213 213 18257 1 . ILE 214 214 18257 1 . PRO 215 215 18257 1 . VAL 216 216 18257 1 . ALA 217 217 18257 1 . VAL 218 218 18257 1 . LYS 219 219 18257 1 . PRO 220 220 18257 1 . LEU 221 221 18257 1 . PHE 222 222 18257 1 . ARG 223 223 18257 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 18257 _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 $DmsD . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . dmsD . . . . 18257 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 18257 _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 $DmsD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-15b . . . . . . 18257 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18257 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 DmsD '[U-100% 13C; U-100% 15N]' . . 1 $DmsD . . 400 . . uM . . . . 18257 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18257 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18257 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18257 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 DmsD '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $DmsD . . 400 . . uM . . . . 18257 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18257 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18257 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18257 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 18257 1 pH 6.5 . pH 18257 1 pressure 1 . atm 18257 1 temperature 298.15 . K 18257 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18257 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18257 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18257 1 'data analysis' 18257 1 'peak picking' 18257 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18257 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18257 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18257 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 18257 _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 Unity . 500 . . . 18257 1 2 spectrometer_2 Varian INOVA . 600 . . . 18257 1 3 spectrometer_3 Bruker 'Avance III' . 850 . . . 18257 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 18257 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18257 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18257 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18257 1 4 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18257 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18257 1 6 '3D NHNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18257 1 7 '3D NHNCACBCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18257 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 18257 _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 external indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 18257 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 18257 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 18257 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_alone _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_alone _Assigned_chem_shift_list.Entry_ID 18257 _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 7 '3D NHNCACBCO' . . . 18257 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 20 20 MET H H 1 8.205 0.02 . 1 . . . . 1 M HN . 18257 1 2 . 1 1 20 20 MET C C 13 173.37 0.20 . 1 . . . . 1 M CO . 18257 1 3 . 1 1 20 20 MET CA C 13 55.019 0.20 . 1 . . . . 1 M CA . 18257 1 4 . 1 1 20 20 MET CB C 13 31.933 0.20 . 1 . . . . 1 M CB . 18257 1 5 . 1 1 20 20 MET N N 15 121.618 0.20 . 1 . . . . 1 M N . 18257 1 6 . 1 1 21 21 THR H H 1 8.052 0.02 . 1 . . . . 2 T HN . 18257 1 7 . 1 1 21 21 THR C C 13 170.969 0.20 . 1 . . . . 2 T CO . 18257 1 8 . 1 1 21 21 THR CA C 13 61.321 0.20 . 1 . . . . 2 T CA . 18257 1 9 . 1 1 21 21 THR CB C 13 69.219 0.20 . 1 . . . . 2 T CB . 18257 1 10 . 1 1 21 21 THR N N 15 116.446 0.20 . 1 . . . . 2 T N . 18257 1 11 . 1 1 22 22 HIS H H 1 8.424 0.02 . 1 . . . . 3 H HN . 18257 1 12 . 1 1 22 22 HIS CA C 13 54.377 0.20 . 1 . . . . 3 H CA . 18257 1 13 . 1 1 22 22 HIS CB C 13 29.794 0.20 . 1 . . . . 3 H CB . 18257 1 14 . 1 1 22 22 HIS N N 15 125.234 0.20 . 1 . . . . 3 H N . 18257 1 15 . 1 1 28 28 ASN C C 13 173.075 0.20 . 1 . . . . 9 N CO . 18257 1 16 . 1 1 28 28 ASN CA C 13 53.403 0.20 . 1 . . . . 9 N CA . 18257 1 17 . 1 1 28 28 ASN CB C 13 37.719 0.20 . 1 . . . . 9 N CB . 18257 1 18 . 1 1 29 29 PHE H H 1 7.713 0.02 . 1 . . . . 10 F HN . 18257 1 19 . 1 1 29 29 PHE C C 13 173.605 0.20 . 1 . . . . 10 F CO . 18257 1 20 . 1 1 29 29 PHE CA C 13 62.328 0.20 . 1 . . . . 10 F CA . 18257 1 21 . 1 1 29 29 PHE CB C 13 38.097 0.20 . 1 . . . . 10 F CB . 18257 1 22 . 1 1 29 29 PHE N N 15 120.323 0.20 . 1 . . . . 10 F N . 18257 1 23 . 1 1 30 30 SER H H 1 8.316 0.02 . 1 . . . . 11 S HN . 18257 1 24 . 1 1 30 30 SER C C 13 173.203 0.20 . 1 . . . . 11 S CO . 18257 1 25 . 1 1 30 30 SER CA C 13 62.28 0.20 . 1 . . . . 11 S CA . 18257 1 26 . 1 1 30 30 SER CB C 13 61.743 0.20 . 1 . . . . 11 S CB . 18257 1 27 . 1 1 30 30 SER N N 15 112.734 0.20 . 1 . . . . 11 S N . 18257 1 28 . 1 1 31 31 VAL H H 1 7.018 0.02 . 1 . . . . 12 V HN . 18257 1 29 . 1 1 31 31 VAL C C 13 174.653 0.20 . 1 . . . . 12 V CO . 18257 1 30 . 1 1 31 31 VAL CA C 13 65.302 0.20 . 1 . . . . 12 V CA . 18257 1 31 . 1 1 31 31 VAL CB C 13 31.188 0.20 . 1 . . . . 12 V CB . 18257 1 32 . 1 1 31 31 VAL N N 15 121.573 0.20 . 1 . . . . 12 V N . 18257 1 33 . 1 1 32 32 ALA H H 1 7.657 0.02 . 1 . . . . 13 A HN . 18257 1 34 . 1 1 32 32 ALA C C 13 176.822 0.20 . 1 . . . . 13 A CO . 18257 1 35 . 1 1 32 32 ALA CA C 13 54.415 0.20 . 1 . . . . 13 A CA . 18257 1 36 . 1 1 32 32 ALA CB C 13 16.734 0.20 . 1 . . . . 13 A CB . 18257 1 37 . 1 1 32 32 ALA N N 15 121.091 0.20 . 1 . . . . 13 A N . 18257 1 38 . 1 1 33 33 ALA H H 1 8.436 0.02 . 1 . . . . 14 A HN . 18257 1 39 . 1 1 33 33 ALA CA C 13 55.556 0.20 . 1 . . . . 14 A CA . 18257 1 40 . 1 1 33 33 ALA CB C 13 16.32 0.20 . 1 . . . . 14 A CB . 18257 1 41 . 1 1 33 33 ALA N N 15 118.349 0.20 . 1 . . . . 14 A N . 18257 1 42 . 1 1 34 34 ARG H H 1 7.841 0.02 . 1 . . . . 15 R HN . 18257 1 43 . 1 1 34 34 ARG C C 13 176.028 0.20 . 1 . . . . 15 R CO . 18257 1 44 . 1 1 34 34 ARG CA C 13 59.183 0.20 . 1 . . . . 15 R CA . 18257 1 45 . 1 1 34 34 ARG CB C 13 28.79 0.20 . 1 . . . . 15 R CB . 18257 1 46 . 1 1 34 34 ARG N N 15 116.635 0.20 . 1 . . . . 15 R N . 18257 1 47 . 1 1 35 35 VAL CA C 13 66.532 0.20 . 1 . . . . 16 V CA . 18257 1 48 . 1 1 35 35 VAL CB C 13 30.98 0.20 . 1 . . . . 16 V CB . 18257 1 49 . 1 1 36 36 LEU H H 1 8.267 0.02 . 1 . . . . 17 L HN . 18257 1 50 . 1 1 36 36 LEU C C 13 176.561 0.20 . 1 . . . . 17 L CO . 18257 1 51 . 1 1 36 36 LEU CA C 13 57.466 0.20 . 1 . . . . 17 L CA . 18257 1 52 . 1 1 36 36 LEU CB C 13 42.903 0.20 . 1 . . . . 17 L CB . 18257 1 53 . 1 1 36 36 LEU N N 15 113.991 0.20 . 1 . . . . 17 L N . 18257 1 54 . 1 1 37 37 GLY H H 1 8.895 0.02 . 1 . . . . 18 G HN . 18257 1 55 . 1 1 37 37 GLY C C 13 172.952 0.20 . 1 . . . . 18 G CO . 18257 1 56 . 1 1 37 37 GLY CA C 13 48.978 0.20 . 1 . . . . 18 G CA . 18257 1 57 . 1 1 37 37 GLY N N 15 104.995 0.20 . 1 . . . . 18 G N . 18257 1 58 . 1 1 38 38 ALA H H 1 8.637 0.02 . 1 . . . . 19 A HN . 18257 1 59 . 1 1 38 38 ALA C C 13 176.078 0.20 . 1 . . . . 19 A CO . 18257 1 60 . 1 1 38 38 ALA CA C 13 54.745 0.20 . 1 . . . . 19 A CA . 18257 1 61 . 1 1 38 38 ALA CB C 13 17.917 0.20 . 1 . . . . 19 A CB . 18257 1 62 . 1 1 38 38 ALA N N 15 121.666 0.20 . 1 . . . . 19 A N . 18257 1 63 . 1 1 39 39 LEU H H 1 7.735 0.02 . 1 . . . . 20 L HN . 18257 1 64 . 1 1 39 39 LEU C C 13 176.686 0.20 . 1 . . . . 20 L CO . 18257 1 65 . 1 1 39 39 LEU CA C 13 56.215 0.20 . 1 . . . . 20 L CA . 18257 1 66 . 1 1 39 39 LEU CB C 13 42.125 0.20 . 1 . . . . 20 L CB . 18257 1 67 . 1 1 39 39 LEU N N 15 114.851 0.20 . 1 . . . . 20 L N . 18257 1 68 . 1 1 40 40 PHE H H 1 7.825 0.02 . 1 . . . . 21 F HN . 18257 1 69 . 1 1 40 40 PHE C C 13 173.268 0.20 . 1 . . . . 21 F CO . 18257 1 70 . 1 1 40 40 PHE CA C 13 60.741 0.20 . 1 . . . . 21 F CA . 18257 1 71 . 1 1 40 40 PHE CB C 13 39.969 0.20 . 1 . . . . 21 F CB . 18257 1 72 . 1 1 40 40 PHE N N 15 114.251 0.20 . 1 . . . . 21 F N . 18257 1 73 . 1 1 41 41 TYR H H 1 8.274 0.02 . 1 . . . . 22 Y HN . 18257 1 74 . 1 1 41 41 TYR CA C 13 59.962 0.20 . 1 . . . . 22 Y CA . 18257 1 75 . 1 1 41 41 TYR CB C 13 40.651 0.20 . 1 . . . . 22 Y CB . 18257 1 76 . 1 1 41 41 TYR N N 15 118.731 0.20 . 1 . . . . 22 Y N . 18257 1 77 . 1 1 42 42 TYR H H 1 8.445 0.02 . 1 . . . . 23 Y HN . 18257 1 78 . 1 1 42 42 TYR C C 13 169.986 0.20 . 1 . . . . 23 Y CO . 18257 1 79 . 1 1 42 42 TYR CA C 13 55.72 0.20 . 1 . . . . 23 Y CA . 18257 1 80 . 1 1 42 42 TYR CB C 13 39.495 0.20 . 1 . . . . 23 Y CB . 18257 1 81 . 1 1 42 42 TYR N N 15 115.978 0.20 . 1 . . . . 23 Y N . 18257 1 82 . 1 1 43 43 ALA H H 1 7.543 0.02 . 1 . . . . 24 A HN . 18257 1 83 . 1 1 43 43 ALA C C 13 175.401 0.20 . 1 . . . . 24 A CO . 18257 1 84 . 1 1 43 43 ALA CB C 13 15.923 0.20 . 1 . . . . 24 A CB . 18257 1 85 . 1 1 43 43 ALA N N 15 122.463 0.20 . 1 . . . . 24 A N . 18257 1 86 . 1 1 44 44 PRO C C 13 173.79 0.20 . 1 . . . . 25 P CO . 18257 1 87 . 1 1 44 44 PRO CA C 13 64.434 0.20 . 1 . . . . 25 P CA . 18257 1 88 . 1 1 44 44 PRO CB C 13 29.828 0.20 . 1 . . . . 25 P CB . 18257 1 89 . 1 1 45 45 GLU H H 1 8.339 0.02 . 1 . . . . 26 E HN . 18257 1 90 . 1 1 45 45 GLU C C 13 174.614 0.20 . 1 . . . . 26 E CO . 18257 1 91 . 1 1 45 45 GLU CA C 13 55.178 0.20 . 1 . . . . 26 E CA . 18257 1 92 . 1 1 45 45 GLU CB C 13 27.983 0.20 . 1 . . . . 26 E CB . 18257 1 93 . 1 1 45 45 GLU N N 15 115.769 0.20 . 1 . . . . 26 E N . 18257 1 94 . 1 1 46 46 SER H H 1 7.812 0.02 . 1 . . . . 27 S HN . 18257 1 95 . 1 1 46 46 SER C C 13 171.2 0.20 . 1 . . . . 27 S CO . 18257 1 96 . 1 1 46 46 SER CA C 13 58.292 0.20 . 1 . . . . 27 S CA . 18257 1 97 . 1 1 46 46 SER CB C 13 64.702 0.20 . 1 . . . . 27 S CB . 18257 1 98 . 1 1 46 46 SER N N 15 118.625 0.20 . 1 . . . . 27 S N . 18257 1 99 . 1 1 47 47 ALA H H 1 8.739 0.02 . 1 . . . . 28 A HN . 18257 1 100 . 1 1 47 47 ALA C C 13 177.345 0.20 . 1 . . . . 28 A CO . 18257 1 101 . 1 1 47 47 ALA CA C 13 54.05 0.20 . 1 . . . . 28 A CA . 18257 1 102 . 1 1 47 47 ALA CB C 13 17.141 0.20 . 1 . . . . 28 A CB . 18257 1 103 . 1 1 47 47 ALA N N 15 123.548 0.20 . 1 . . . . 28 A N . 18257 1 104 . 1 1 48 48 GLU H H 1 8.647 0.02 . 1 . . . . 29 E HN . 18257 1 105 . 1 1 48 48 GLU C C 13 174.654 0.20 . 1 . . . . 29 E CO . 18257 1 106 . 1 1 48 48 GLU CA C 13 59.43 0.20 . 1 . . . . 29 E CA . 18257 1 107 . 1 1 48 48 GLU CB C 13 27.731 0.20 . 1 . . . . 29 E CB . 18257 1 108 . 1 1 48 48 GLU N N 15 114.452 0.20 . 1 . . . . 29 E N . 18257 1 109 . 1 1 49 49 ALA H H 1 7.209 0.02 . 1 . . . . 30 A HN . 18257 1 110 . 1 1 49 49 ALA C C 13 175.811 0.20 . 1 . . . . 30 A CO . 18257 1 111 . 1 1 49 49 ALA CA C 13 52.101 0.20 . 1 . . . . 30 A CA . 18257 1 112 . 1 1 49 49 ALA CB C 13 20.442 0.20 . 1 . . . . 30 A CB . 18257 1 113 . 1 1 49 49 ALA N N 15 117.383 0.20 . 1 . . . . 30 A N . 18257 1 114 . 1 1 50 50 ALA H H 1 8.688 0.02 . 1 . . . . 31 A HN . 18257 1 115 . 1 1 50 50 ALA C C 13 175.116 0.20 . 1 . . . . 31 A CO . 18257 1 116 . 1 1 50 50 ALA CA C 13 56.992 0.20 . 1 . . . . 31 A CA . 18257 1 117 . 1 1 50 50 ALA CB C 13 14.634 0.20 . 1 . . . . 31 A CB . 18257 1 118 . 1 1 50 50 ALA N N 15 124.321 0.20 . 1 . . . . 31 A N . 18257 1 119 . 1 1 51 51 PRO CA C 13 65.328 0.20 . 1 . . . . 32 P CA . 18257 1 120 . 1 1 51 51 PRO CB C 13 30.688 0.20 . 1 . . . . 32 P CB . 18257 1 121 . 1 1 52 52 LEU H H 1 7.239 0.02 . 1 . . . . 33 L HN . 18257 1 122 . 1 1 52 52 LEU C C 13 176.212 0.20 . 1 . . . . 33 L CO . 18257 1 123 . 1 1 52 52 LEU CA C 13 56.146 0.20 . 1 . . . . 33 L CA . 18257 1 124 . 1 1 52 52 LEU CB C 13 40.159 0.20 . 1 . . . . 33 L CB . 18257 1 125 . 1 1 52 52 LEU N N 15 117.06 0.20 . 1 . . . . 33 L N . 18257 1 126 . 1 1 53 53 VAL H H 1 7.974 0.02 . 1 . . . . 34 V HN . 18257 1 127 . 1 1 53 53 VAL C C 13 176.51 0.20 . 1 . . . . 34 V CO . 18257 1 128 . 1 1 53 53 VAL CA C 13 66.233 0.20 . 1 . . . . 34 V CA . 18257 1 129 . 1 1 53 53 VAL CB C 13 30.788 0.20 . 1 . . . . 34 V CB . 18257 1 130 . 1 1 53 53 VAL N N 15 121.48 0.20 . 1 . . . . 34 V N . 18257 1 131 . 1 1 54 54 ALA H H 1 7.328 0.02 . 1 . . . . 35 A HN . 18257 1 132 . 1 1 54 54 ALA C C 13 176.998 0.20 . 1 . . . . 35 A CO . 18257 1 133 . 1 1 54 54 ALA CA C 13 54.412 0.20 . 1 . . . . 35 A CA . 18257 1 134 . 1 1 54 54 ALA CB C 13 16.768 0.20 . 1 . . . . 35 A CB . 18257 1 135 . 1 1 54 54 ALA N N 15 119.697 0.20 . 1 . . . . 35 A N . 18257 1 136 . 1 1 55 55 VAL H H 1 7.216 0.02 . 1 . . . . 36 V HN . 18257 1 137 . 1 1 55 55 VAL C C 13 175.505 0.20 . 1 . . . . 36 V CO . 18257 1 138 . 1 1 55 55 VAL CA C 13 65.547 0.20 . 1 . . . . 36 V CA . 18257 1 139 . 1 1 55 55 VAL CB C 13 30.915 0.20 . 1 . . . . 36 V CB . 18257 1 140 . 1 1 55 55 VAL N N 15 118.698 0.20 . 1 . . . . 36 V N . 18257 1 141 . 1 1 56 56 LEU H H 1 7.24 0.02 . 1 . . . . 37 L HN . 18257 1 142 . 1 1 56 56 LEU C C 13 174.033 0.20 . 1 . . . . 37 L CO . 18257 1 143 . 1 1 56 56 LEU CA C 13 55.853 0.20 . 1 . . . . 37 L CA . 18257 1 144 . 1 1 56 56 LEU CB C 13 40.091 0.20 . 1 . . . . 37 L CB . 18257 1 145 . 1 1 56 56 LEU N N 15 116.685 0.20 . 1 . . . . 37 L N . 18257 1 146 . 1 1 57 57 THR H H 1 7.336 0.02 . 1 . . . . 38 T HN . 18257 1 147 . 1 1 57 57 THR C C 13 170.281 0.20 . 1 . . . . 38 T CO . 18257 1 148 . 1 1 57 57 THR CA C 13 60.854 0.20 . 1 . . . . 38 T CA . 18257 1 149 . 1 1 57 57 THR CB C 13 68.608 0.20 . 1 . . . . 38 T CB . 18257 1 150 . 1 1 57 57 THR N N 15 105.263 0.20 . 1 . . . . 38 T N . 18257 1 151 . 1 1 58 58 SER H H 1 7.492 0.02 . 1 . . . . 39 S HN . 18257 1 152 . 1 1 58 58 SER C C 13 169.817 0.20 . 1 . . . . 39 S CO . 18257 1 153 . 1 1 58 58 SER CA C 13 56.819 0.20 . 1 . . . . 39 S CA . 18257 1 154 . 1 1 58 58 SER CB C 13 65.234 0.20 . 1 . . . . 39 S CB . 18257 1 155 . 1 1 58 58 SER N N 15 116.43 0.20 . 1 . . . . 39 S N . 18257 1 156 . 1 1 59 59 ASP H H 1 8.38 0.02 . 1 . . . . 40 D HN . 18257 1 157 . 1 1 59 59 ASP C C 13 175.899 0.20 . 1 . . . . 40 D CO . 18257 1 158 . 1 1 59 59 ASP CA C 13 55.537 0.20 . 1 . . . . 40 D CA . 18257 1 159 . 1 1 59 59 ASP CB C 13 40.552 0.20 . 1 . . . . 40 D CB . 18257 1 160 . 1 1 59 59 ASP N N 15 120.13 0.20 . 1 . . . . 40 D N . 18257 1 161 . 1 1 60 60 GLY H H 1 9.209 0.02 . 1 . . . . 41 G HN . 18257 1 162 . 1 1 60 60 GLY C C 13 173.526 0.20 . 1 . . . . 41 G CO . 18257 1 163 . 1 1 60 60 GLY CA C 13 45.725 0.20 . 1 . . . . 41 G CA . 18257 1 164 . 1 1 60 60 GLY N N 15 112.208 0.20 . 1 . . . . 41 G N . 18257 1 165 . 1 1 61 61 TRP H H 1 7.451 0.02 . 1 . . . . 42 W HN . 18257 1 166 . 1 1 61 61 TRP C C 13 175.382 0.20 . 1 . . . . 42 W CO . 18257 1 167 . 1 1 61 61 TRP CA C 13 57.717 0.20 . 1 . . . . 42 W CA . 18257 1 168 . 1 1 61 61 TRP CB C 13 27.283 0.20 . 1 . . . . 42 W CB . 18257 1 169 . 1 1 61 61 TRP N N 15 122.381 0.20 . 1 . . . . 42 W N . 18257 1 170 . 1 1 62 62 GLU H H 1 9.531 0.02 . 1 . . . . 43 E HN . 18257 1 171 . 1 1 62 62 GLU C C 13 174.531 0.20 . 1 . . . . 43 E CO . 18257 1 172 . 1 1 62 62 GLU CA C 13 58.079 0.20 . 1 . . . . 43 E CA . 18257 1 173 . 1 1 62 62 GLU CB C 13 25.465 0.20 . 1 . . . . 43 E CB . 18257 1 174 . 1 1 62 62 GLU N N 15 125.925 0.20 . 1 . . . . 43 E N . 18257 1 175 . 1 1 63 63 THR H H 1 7.283 0.02 . 1 . . . . 44 T HN . 18257 1 176 . 1 1 63 63 THR C C 13 172.807 0.20 . 1 . . . . 44 T CO . 18257 1 177 . 1 1 63 63 THR CA C 13 63.295 0.20 . 1 . . . . 44 T CA . 18257 1 178 . 1 1 63 63 THR CB C 13 68.552 0.20 . 1 . . . . 44 T CB . 18257 1 179 . 1 1 63 63 THR N N 15 112.522 0.20 . 1 . . . . 44 T N . 18257 1 180 . 1 1 64 64 GLN H H 1 7.489 0.02 . 1 . . . . 45 Q HN . 18257 1 181 . 1 1 64 64 GLN C C 13 172.214 0.20 . 1 . . . . 45 Q CO . 18257 1 182 . 1 1 64 64 GLN CA C 13 54.34 0.20 . 1 . . . . 45 Q CA . 18257 1 183 . 1 1 64 64 GLN CB C 13 29.363 0.20 . 1 . . . . 45 Q CB . 18257 1 184 . 1 1 64 64 GLN N N 15 118.38 0.20 . 1 . . . . 45 Q N . 18257 1 185 . 1 1 65 65 TRP H H 1 7.522 0.02 . 1 . . . . 46 W HN . 18257 1 186 . 1 1 65 65 TRP C C 13 173.767 0.20 . 1 . . . . 46 W CO . 18257 1 187 . 1 1 65 65 TRP CA C 13 54.486 0.20 . 1 . . . . 46 W CA . 18257 1 188 . 1 1 65 65 TRP CB C 13 30.23 0.20 . 1 . . . . 46 W CB . 18257 1 189 . 1 1 65 65 TRP N N 15 123.907 0.20 . 1 . . . . 46 W N . 18257 1 190 . 1 1 66 66 PRO C C 13 172.231 0.20 . 1 . . . . 47 P CO . 18257 1 191 . 1 1 66 66 PRO CA C 13 62.623 0.20 . 1 . . . . 47 P CA . 18257 1 192 . 1 1 66 66 PRO CB C 13 28.091 0.20 . 1 . . . . 47 P CB . 18257 1 193 . 1 1 67 67 LEU H H 1 8.655 0.02 . 1 . . . . 48 L HN . 18257 1 194 . 1 1 67 67 LEU C C 13 170.745 0.20 . 1 . . . . 48 L CO . 18257 1 195 . 1 1 67 67 LEU CA C 13 52.189 0.20 . 1 . . . . 48 L CA . 18257 1 196 . 1 1 67 67 LEU CB C 13 45.367 0.20 . 1 . . . . 48 L CB . 18257 1 197 . 1 1 67 67 LEU N N 15 123.766 0.20 . 1 . . . . 48 L N . 18257 1 198 . 1 1 68 68 PRO C C 13 175.544 0.20 . 1 . . . . 49 P CO . 18257 1 199 . 1 1 68 68 PRO CA C 13 62.181 0.20 . 1 . . . . 49 P CA . 18257 1 200 . 1 1 68 68 PRO CB C 13 31.422 0.20 . 1 . . . . 49 P CB . 18257 1 201 . 1 1 69 69 GLU H H 1 8.856 0.02 . 1 . . . . 50 E HN . 18257 1 202 . 1 1 69 69 GLU C C 13 176.357 0.20 . 1 . . . . 50 E CO . 18257 1 203 . 1 1 69 69 GLU CA C 13 59.726 0.20 . 1 . . . . 50 E CA . 18257 1 204 . 1 1 69 69 GLU CB C 13 28.713 0.20 . 1 . . . . 50 E CB . 18257 1 205 . 1 1 69 69 GLU N N 15 125.803 0.20 . 1 . . . . 50 E N . 18257 1 206 . 1 1 70 70 ALA H H 1 8.81 0.02 . 1 . . . . 51 A HN . 18257 1 207 . 1 1 70 70 ALA C C 13 177.805 0.20 . 1 . . . . 51 A CO . 18257 1 208 . 1 1 70 70 ALA CA C 13 54.429 0.20 . 1 . . . . 51 A CA . 18257 1 209 . 1 1 70 70 ALA CB C 13 17.457 0.20 . 1 . . . . 51 A CB . 18257 1 210 . 1 1 70 70 ALA N N 15 119.487 0.20 . 1 . . . . 51 A N . 18257 1 211 . 1 1 71 71 SER H H 1 7.373 0.02 . 1 . . . . 52 S HN . 18257 1 212 . 1 1 71 71 SER CA C 13 59.929 0.20 . 1 . . . . 52 S CA . 18257 1 213 . 1 1 71 71 SER CB C 13 62.637 0.20 . 1 . . . . 52 S CB . 18257 1 214 . 1 1 71 71 SER N N 15 111.766 0.20 . 1 . . . . 52 S N . 18257 1 215 . 1 1 72 72 LEU H H 1 7.182 0.02 . 1 . . . . 53 L HN . 18257 1 216 . 1 1 72 72 LEU C C 13 175.546 0.20 . 1 . . . . 53 L CO . 18257 1 217 . 1 1 72 72 LEU CA C 13 55.015 0.20 . 1 . . . . 53 L CA . 18257 1 218 . 1 1 72 72 LEU CB C 13 41.738 0.20 . 1 . . . . 53 L CB . 18257 1 219 . 1 1 72 72 LEU N N 15 118.615 0.20 . 1 . . . . 53 L N . 18257 1 220 . 1 1 73 73 ALA H H 1 7.595 0.02 . 1 . . . . 54 A HN . 18257 1 221 . 1 1 73 73 ALA C C 13 174.169 0.20 . 1 . . . . 54 A CO . 18257 1 222 . 1 1 73 73 ALA CA C 13 56.665 0.20 . 1 . . . . 54 A CA . 18257 1 223 . 1 1 73 73 ALA CB C 13 14.954 0.20 . 1 . . . . 54 A CB . 18257 1 224 . 1 1 73 73 ALA N N 15 122.333 0.20 . 1 . . . . 54 A N . 18257 1 225 . 1 1 74 74 PRO C C 13 176.907 0.20 . 1 . . . . 55 P CO . 18257 1 226 . 1 1 74 74 PRO CA C 13 64.752 0.20 . 1 . . . . 55 P CA . 18257 1 227 . 1 1 74 74 PRO CB C 13 30.152 0.20 . 1 . . . . 55 P CB . 18257 1 228 . 1 1 75 75 LEU H H 1 7.386 0.02 . 1 . . . . 56 L HN . 18257 1 229 . 1 1 75 75 LEU C C 13 175.236 0.20 . 1 . . . . 56 L CO . 18257 1 230 . 1 1 75 75 LEU CA C 13 56.125 0.20 . 1 . . . . 56 L CA . 18257 1 231 . 1 1 75 75 LEU CB C 13 39.797 0.20 . 1 . . . . 56 L CB . 18257 1 232 . 1 1 75 75 LEU N N 15 117.843 0.20 . 1 . . . . 56 L N . 18257 1 233 . 1 1 76 76 VAL H H 1 7.937 0.02 . 1 . . . . 57 V HN . 18257 1 234 . 1 1 76 76 VAL C C 13 176.869 0.20 . 1 . . . . 57 V CO . 18257 1 235 . 1 1 76 76 VAL CA C 13 66.422 0.20 . 1 . . . . 57 V CA . 18257 1 236 . 1 1 76 76 VAL CB C 13 31.353 0.20 . 1 . . . . 57 V CB . 18257 1 237 . 1 1 76 76 VAL N N 15 120.25 0.20 . 1 . . . . 57 V N . 18257 1 238 . 1 1 77 77 THR H H 1 7.214 0.02 . 1 . . . . 58 T HN . 18257 1 239 . 1 1 77 77 THR C C 13 175.029 0.20 . 1 . . . . 58 T CO . 18257 1 240 . 1 1 77 77 THR CA C 13 64.736 0.20 . 1 . . . . 58 T CA . 18257 1 241 . 1 1 77 77 THR CB C 13 68.068 0.20 . 1 . . . . 58 T CB . 18257 1 242 . 1 1 77 77 THR N N 15 111.051 0.20 . 1 . . . . 58 T N . 18257 1 243 . 1 1 78 78 ALA H H 1 7.539 0.02 . 1 . . . . 59 A HN . 18257 1 244 . 1 1 78 78 ALA C C 13 177.58 0.20 . 1 . . . . 59 A CO . 18257 1 245 . 1 1 78 78 ALA CA C 13 55.405 0.20 . 1 . . . . 59 A CA . 18257 1 246 . 1 1 78 78 ALA CB C 13 18.161 0.20 . 1 . . . . 59 A CB . 18257 1 247 . 1 1 78 78 ALA N N 15 127.042 0.20 . 1 . . . . 59 A N . 18257 1 248 . 1 1 79 79 PHE H H 1 8.453 0.02 . 1 . . . . 60 F HN . 18257 1 249 . 1 1 79 79 PHE C C 13 174.308 0.20 . 1 . . . . 60 F CO . 18257 1 250 . 1 1 79 79 PHE CA C 13 61.178 0.20 . 1 . . . . 60 F CA . 18257 1 251 . 1 1 79 79 PHE CB C 13 39.886 0.20 . 1 . . . . 60 F CB . 18257 1 252 . 1 1 79 79 PHE N N 15 115.022 0.20 . 1 . . . . 60 F N . 18257 1 253 . 1 1 80 80 GLN H H 1 7.137 0.02 . 1 . . . . 61 Q HN . 18257 1 254 . 1 1 80 80 GLN C C 13 173.456 0.20 . 1 . . . . 61 Q CO . 18257 1 255 . 1 1 80 80 GLN CA C 13 55.509 0.20 . 1 . . . . 61 Q CA . 18257 1 256 . 1 1 80 80 GLN CB C 13 28.301 0.20 . 1 . . . . 61 Q CB . 18257 1 257 . 1 1 80 80 GLN N N 15 113.79 0.20 . 1 . . . . 61 Q N . 18257 1 258 . 1 1 81 81 THR H H 1 7.49 0.02 . 1 . . . . 62 T HN . 18257 1 259 . 1 1 81 81 THR C C 13 170.807 0.20 . 1 . . . . 62 T CO . 18257 1 260 . 1 1 81 81 THR CA C 13 63.909 0.20 . 1 . . . . 62 T CA . 18257 1 261 . 1 1 81 81 THR CB C 13 68.996 0.20 . 1 . . . . 62 T CB . 18257 1 262 . 1 1 81 81 THR N N 15 119.091 0.20 . 1 . . . . 62 T N . 18257 1 263 . 1 1 82 82 GLN H H 1 8.744 0.02 . 1 . . . . 63 Q HN . 18257 1 264 . 1 1 82 82 GLN C C 13 172.471 0.20 . 1 . . . . 63 Q CO . 18257 1 265 . 1 1 82 82 GLN CA C 13 55.444 0.20 . 1 . . . . 63 Q CA . 18257 1 266 . 1 1 82 82 GLN CB C 13 28.672 0.20 . 1 . . . . 63 Q CB . 18257 1 267 . 1 1 82 82 GLN N N 15 127.163 0.20 . 1 . . . . 63 Q N . 18257 1 268 . 1 1 83 83 CYS H H 1 8.401 0.02 . 1 . . . . 64 C HN . 18257 1 269 . 1 1 83 83 CYS C C 13 170.599 0.20 . 1 . . . . 64 C CO . 18257 1 270 . 1 1 83 83 CYS CA C 13 56.792 0.20 . 1 . . . . 64 C CA . 18257 1 271 . 1 1 83 83 CYS CB C 13 29.273 0.20 . 1 . . . . 64 C CB . 18257 1 272 . 1 1 83 83 CYS N N 15 121.132 0.20 . 1 . . . . 64 C N . 18257 1 273 . 1 1 84 84 GLU H H 1 8.765 0.02 . 1 . . . . 65 E HN . 18257 1 274 . 1 1 84 84 GLU C C 13 174.275 0.20 . 1 . . . . 65 E CO . 18257 1 275 . 1 1 84 84 GLU CA C 13 58.448 0.20 . 1 . . . . 65 E CA . 18257 1 276 . 1 1 84 84 GLU CB C 13 28.889 0.20 . 1 . . . . 65 E CB . 18257 1 277 . 1 1 84 84 GLU N N 15 124.512 0.20 . 1 . . . . 65 E N . 18257 1 278 . 1 1 85 85 GLU H H 1 7.963 0.02 . 1 . . . . 66 E HN . 18257 1 279 . 1 1 85 85 GLU C C 13 174.002 0.20 . 1 . . . . 66 E CO . 18257 1 280 . 1 1 85 85 GLU CA C 13 55.762 0.20 . 1 . . . . 66 E CA . 18257 1 281 . 1 1 85 85 GLU CB C 13 30.816 0.20 . 1 . . . . 66 E CB . 18257 1 282 . 1 1 85 85 GLU N N 15 122.555 0.20 . 1 . . . . 66 E N . 18257 1 283 . 1 1 86 86 THR H H 1 8.713 0.02 . 1 . . . . 67 T HN . 18257 1 284 . 1 1 86 86 THR C C 13 173.226 0.20 . 1 . . . . 67 T CO . 18257 1 285 . 1 1 86 86 THR CA C 13 61.157 0.20 . 1 . . . . 67 T CA . 18257 1 286 . 1 1 86 86 THR CB C 13 70.34 0.20 . 1 . . . . 67 T CB . 18257 1 287 . 1 1 86 86 THR N N 15 120.091 0.20 . 1 . . . . 67 T N . 18257 1 288 . 1 1 87 87 HIS H H 1 8.569 0.02 . 1 . . . . 68 H HN . 18257 1 289 . 1 1 87 87 HIS C C 13 175.148 0.20 . 1 . . . . 68 H CO . 18257 1 290 . 1 1 87 87 HIS CA C 13 59.602 0.20 . 1 . . . . 68 H CA . 18257 1 291 . 1 1 87 87 HIS CB C 13 29.178 0.20 . 1 . . . . 68 H CB . 18257 1 292 . 1 1 87 87 HIS N N 15 119.107 0.20 . 1 . . . . 68 H N . 18257 1 293 . 1 1 88 88 ALA H H 1 8.786 0.02 . 1 . . . . 69 A HN . 18257 1 294 . 1 1 88 88 ALA C C 13 178.398 0.20 . 1 . . . . 69 A CO . 18257 1 295 . 1 1 88 88 ALA CA C 13 54.933 0.20 . 1 . . . . 69 A CA . 18257 1 296 . 1 1 88 88 ALA CB C 13 18.04 0.20 . 1 . . . . 69 A CB . 18257 1 297 . 1 1 88 88 ALA N N 15 119.627 0.20 . 1 . . . . 69 A N . 18257 1 298 . 1 1 89 89 GLN H H 1 8.014 0.02 . 1 . . . . 70 Q HN . 18257 1 299 . 1 1 89 89 GLN C C 13 176.742 0.20 . 1 . . . . 70 Q CO . 18257 1 300 . 1 1 89 89 GLN CA C 13 58.31 0.20 . 1 . . . . 70 Q CA . 18257 1 301 . 1 1 89 89 GLN CB C 13 28.11 0.20 . 1 . . . . 70 Q CB . 18257 1 302 . 1 1 89 89 GLN N N 15 119.503 0.20 . 1 . . . . 70 Q N . 18257 1 303 . 1 1 90 90 ALA H H 1 8.362 0.02 . 1 . . . . 71 A HN . 18257 1 304 . 1 1 90 90 ALA C C 13 175.782 0.20 . 1 . . . . 71 A CO . 18257 1 305 . 1 1 90 90 ALA CA C 13 54.622 0.20 . 1 . . . . 71 A CA . 18257 1 306 . 1 1 90 90 ALA CB C 13 17.18 0.20 . 1 . . . . 71 A CB . 18257 1 307 . 1 1 90 90 ALA N N 15 125.02 0.20 . 1 . . . . 71 A N . 18257 1 308 . 1 1 91 91 TRP H H 1 8.799 0.02 . 1 . . . . 72 W HN . 18257 1 309 . 1 1 91 91 TRP C C 13 175.186 0.20 . 1 . . . . 72 W CO . 18257 1 310 . 1 1 91 91 TRP CA C 13 60.315 0.20 . 1 . . . . 72 W CA . 18257 1 311 . 1 1 91 91 TRP CB C 13 28.722 0.20 . 1 . . . . 72 W CB . 18257 1 312 . 1 1 91 91 TRP N N 15 118.527 0.20 . 1 . . . . 72 W N . 18257 1 313 . 1 1 92 92 GLN H H 1 7.74 0.02 . 1 . . . . 73 Q HN . 18257 1 314 . 1 1 92 92 GLN C C 13 175.575 0.20 . 1 . . . . 73 Q CO . 18257 1 315 . 1 1 92 92 GLN CA C 13 58.039 0.20 . 1 . . . . 73 Q CA . 18257 1 316 . 1 1 92 92 GLN CB C 13 27.461 0.20 . 1 . . . . 73 Q CB . 18257 1 317 . 1 1 92 92 GLN N N 15 115.968 0.20 . 1 . . . . 73 Q N . 18257 1 318 . 1 1 95 95 PHE H H 1 9.42 0.02 . 1 . . . . 76 F HN . 18257 1 319 . 1 1 98 98 PRO C C 13 173.833 0.20 . 1 . . . . 79 P CO . 18257 1 320 . 1 1 98 98 PRO CA C 13 63.592 0.20 . 1 . . . . 79 P CA . 18257 1 321 . 1 1 98 98 PRO CB C 13 33.026 0.20 . 1 . . . . 79 P CB . 18257 1 322 . 1 1 99 99 TRP H H 1 7.259 0.02 . 1 . . . . 80 W HN . 18257 1 323 . 1 1 99 99 TRP C C 13 173.021 0.20 . 1 . . . . 80 W CO . 18257 1 324 . 1 1 99 99 TRP CA C 13 55.96 0.20 . 1 . . . . 80 W CA . 18257 1 325 . 1 1 99 99 TRP CB C 13 28.056 0.20 . 1 . . . . 80 W CB . 18257 1 326 . 1 1 99 99 TRP N N 15 123.464 0.20 . 1 . . . . 80 W N . 18257 1 327 . 1 1 100 100 ALA H H 1 8.348 0.02 . 1 . . . . 81 A HN . 18257 1 328 . 1 1 100 100 ALA C C 13 175.328 0.20 . 1 . . . . 81 A CO . 18257 1 329 . 1 1 100 100 ALA CA C 13 52.399 0.20 . 1 . . . . 81 A CA . 18257 1 330 . 1 1 100 100 ALA CB C 13 17.483 0.20 . 1 . . . . 81 A CB . 18257 1 331 . 1 1 100 100 ALA N N 15 123.496 0.20 . 1 . . . . 81 A N . 18257 1 332 . 1 1 101 101 LEU H H 1 8.532 0.02 . 1 . . . . 82 L HN . 18257 1 333 . 1 1 101 101 LEU C C 13 174.16 0.20 . 1 . . . . 82 L CO . 18257 1 334 . 1 1 101 101 LEU CA C 13 52.344 0.20 . 1 . . . . 82 L CA . 18257 1 335 . 1 1 101 101 LEU CB C 13 38.776 0.20 . 1 . . . . 82 L CB . 18257 1 336 . 1 1 101 101 LEU N N 15 123.334 0.20 . 1 . . . . 82 L N . 18257 1 337 . 1 1 102 102 PRO C C 13 174.71 0.20 . 1 . . . . 83 P CO . 18257 1 338 . 1 1 102 102 PRO CA C 13 63.7 0.20 . 1 . . . . 83 P CA . 18257 1 339 . 1 1 102 102 PRO CB C 13 31.246 0.20 . 1 . . . . 83 P CB . 18257 1 340 . 1 1 103 103 SER H H 1 8.262 0.02 . 1 . . . . 84 S HN . 18257 1 341 . 1 1 103 103 SER C C 13 169.359 0.20 . 1 . . . . 84 S CO . 18257 1 342 . 1 1 103 103 SER CA C 13 54.069 0.20 . 1 . . . . 84 S CA . 18257 1 343 . 1 1 103 103 SER N N 15 109.946 0.20 . 1 . . . . 84 S N . 18257 1 344 . 1 1 107 107 GLY C C 13 174.044 0.20 . 1 . . . . 88 G CO . 18257 1 345 . 1 1 107 107 GLY CA C 13 46.386 0.20 . 1 . . . . 88 G CA . 18257 1 346 . 1 1 108 108 SER H H 1 7.893 0.02 . 1 . . . . 89 S HN . 18257 1 347 . 1 1 108 108 SER C C 13 173.297 0.20 . 1 . . . . 89 S CO . 18257 1 348 . 1 1 108 108 SER CA C 13 60.906 0.20 . 1 . . . . 89 S CA . 18257 1 349 . 1 1 108 108 SER CB C 13 61.944 0.20 . 1 . . . . 89 S CB . 18257 1 350 . 1 1 108 108 SER N N 15 113.711 0.20 . 1 . . . . 89 S N . 18257 1 351 . 1 1 109 109 VAL H H 1 7.273 0.02 . 1 . . . . 90 V HN . 18257 1 352 . 1 1 109 109 VAL C C 13 172.773 0.20 . 1 . . . . 90 V CO . 18257 1 353 . 1 1 109 109 VAL CA C 13 64.823 0.20 . 1 . . . . 90 V CA . 18257 1 354 . 1 1 109 109 VAL CB C 13 29.723 0.20 . 1 . . . . 90 V CB . 18257 1 355 . 1 1 109 109 VAL N N 15 121.355 0.20 . 1 . . . . 90 V N . 18257 1 356 . 1 1 110 110 TRP H H 1 7.107 0.02 . 1 . . . . 91 W HN . 18257 1 357 . 1 1 110 110 TRP C C 13 174.757 0.20 . 1 . . . . 91 W CO . 18257 1 358 . 1 1 110 110 TRP CA C 13 57.259 0.20 . 1 . . . . 91 W CA . 18257 1 359 . 1 1 110 110 TRP CB C 13 29.63 0.20 . 1 . . . . 91 W CB . 18257 1 360 . 1 1 110 110 TRP N N 15 119.45 0.20 . 1 . . . . 91 W N . 18257 1 361 . 1 1 111 111 LEU H H 1 7.684 0.02 . 1 . . . . 92 L HN . 18257 1 362 . 1 1 111 111 LEU C C 13 174.81 0.20 . 1 . . . . 92 L CO . 18257 1 363 . 1 1 111 111 LEU CA C 13 54.94 0.20 . 1 . . . . 92 L CA . 18257 1 364 . 1 1 111 111 LEU CB C 13 42.693 0.20 . 1 . . . . 92 L CB . 18257 1 365 . 1 1 111 111 LEU N N 15 115.386 0.20 . 1 . . . . 92 L N . 18257 1 366 . 1 1 112 112 ASP H H 1 8.365 0.02 . 1 . . . . 93 D HN . 18257 1 367 . 1 1 112 112 ASP C C 13 174.309 0.20 . 1 . . . . 93 D CO . 18257 1 368 . 1 1 112 112 ASP CA C 13 53.291 0.20 . 1 . . . . 93 D CA . 18257 1 369 . 1 1 112 112 ASP CB C 13 43.894 0.20 . 1 . . . . 93 D CB . 18257 1 370 . 1 1 112 112 ASP N N 15 122.034 0.20 . 1 . . . . 93 D N . 18257 1 371 . 1 1 113 113 ARG H H 1 8.171 0.02 . 1 . . . . 94 R HN . 18257 1 372 . 1 1 113 113 ARG C C 13 174.683 0.20 . 1 . . . . 94 R CO . 18257 1 373 . 1 1 113 113 ARG CA C 13 57.786 0.20 . 1 . . . . 94 R CA . 18257 1 374 . 1 1 113 113 ARG N N 15 126.328 0.20 . 1 . . . . 94 R N . 18257 1 375 . 1 1 114 114 GLU H H 1 8.764 0.02 . 1 . . . . 95 E HN . 18257 1 376 . 1 1 114 114 GLU C C 13 173.739 0.20 . 1 . . . . 95 E CO . 18257 1 377 . 1 1 114 114 GLU CA C 13 55.68 0.20 . 1 . . . . 95 E CA . 18257 1 378 . 1 1 114 114 GLU CB C 13 28.924 0.20 . 1 . . . . 95 E CB . 18257 1 379 . 1 1 114 114 GLU N N 15 117.597 0.20 . 1 . . . . 95 E N . 18257 1 380 . 1 1 115 115 SER H H 1 8.331 0.02 . 1 . . . . 96 S HN . 18257 1 381 . 1 1 115 115 SER C C 13 170.448 0.20 . 1 . . . . 96 S CO . 18257 1 382 . 1 1 115 115 SER CA C 13 58.474 0.20 . 1 . . . . 96 S CA . 18257 1 383 . 1 1 115 115 SER CB C 13 61.401 0.20 . 1 . . . . 96 S CB . 18257 1 384 . 1 1 115 115 SER N N 15 114.21 0.20 . 1 . . . . 96 S N . 18257 1 385 . 1 1 117 117 LEU CA C 13 57.377 0.20 . 1 . . . . 98 L CA . 18257 1 386 . 1 1 117 117 LEU CB C 13 39.486 0.20 . 1 . . . . 98 L CB . 18257 1 387 . 1 1 118 118 PHE H H 1 7.522 0.02 . 1 . . . . 99 F HN . 18257 1 388 . 1 1 118 118 PHE C C 13 173.109 0.20 . 1 . . . . 99 F CO . 18257 1 389 . 1 1 118 118 PHE CA C 13 62.779 0.20 . 1 . . . . 99 F CA . 18257 1 390 . 1 1 118 118 PHE CB C 13 32.743 0.20 . 1 . . . . 99 F CB . 18257 1 391 . 1 1 118 118 PHE N N 15 120.903 0.20 . 1 . . . . 99 F N . 18257 1 392 . 1 1 119 119 GLY H H 1 8.26 0.02 . 1 . . . . 100 G HN . 18257 1 393 . 1 1 119 119 GLY C C 13 170.059 0.20 . 1 . . . . 100 G CO . 18257 1 394 . 1 1 119 119 GLY CA C 13 44.038 0.20 . 1 . . . . 100 G CA . 18257 1 395 . 1 1 119 119 GLY N N 15 108.799 0.20 . 1 . . . . 100 G N . 18257 1 396 . 1 1 120 120 ASP H H 1 9.873 0.02 . 1 . . . . 101 D HN . 18257 1 397 . 1 1 120 120 ASP C C 13 177.988 0.20 . 1 . . . . 101 D CO . 18257 1 398 . 1 1 120 120 ASP CA C 13 57.577 0.20 . 1 . . . . 101 D CA . 18257 1 399 . 1 1 120 120 ASP CB C 13 39.286 0.20 . 1 . . . . 101 D CB . 18257 1 400 . 1 1 120 120 ASP N N 15 123.331 0.20 . 1 . . . . 101 D N . 18257 1 401 . 1 1 121 121 SER H H 1 9.108 0.02 . 1 . . . . 102 S HN . 18257 1 402 . 1 1 121 121 SER C C 13 175.346 0.20 . 1 . . . . 102 S CO . 18257 1 403 . 1 1 121 121 SER CB C 13 60.914 0.20 . 1 . . . . 102 S CB . 18257 1 404 . 1 1 121 121 SER N N 15 119.048 0.20 . 1 . . . . 102 S N . 18257 1 405 . 1 1 122 122 THR H H 1 7.31 0.02 . 1 . . . . 103 T HN . 18257 1 406 . 1 1 122 122 THR C C 13 174.426 0.20 . 1 . . . . 103 T CO . 18257 1 407 . 1 1 122 122 THR CA C 13 66.032 0.20 . 1 . . . . 103 T CA . 18257 1 408 . 1 1 122 122 THR CB C 13 67.09 0.20 . 1 . . . . 103 T CB . 18257 1 409 . 1 1 122 122 THR N N 15 125.539 0.20 . 1 . . . . 103 T N . 18257 1 410 . 1 1 123 123 LEU H H 1 8 0.02 . 1 . . . . 104 L HN . 18257 1 411 . 1 1 123 123 LEU C C 13 177.028 0.20 . 1 . . . . 104 L CO . 18257 1 412 . 1 1 123 123 LEU CA C 13 57.417 0.20 . 1 . . . . 104 L CA . 18257 1 413 . 1 1 123 123 LEU CB C 13 39.265 0.20 . 1 . . . . 104 L CB . 18257 1 414 . 1 1 123 123 LEU N N 15 121.451 0.20 . 1 . . . . 104 L N . 18257 1 415 . 1 1 124 124 ALA H H 1 8.141 0.02 . 1 . . . . 105 A HN . 18257 1 416 . 1 1 124 124 ALA C C 13 178.691 0.20 . 1 . . . . 105 A CO . 18257 1 417 . 1 1 124 124 ALA CA C 13 54.617 0.20 . 1 . . . . 105 A CA . 18257 1 418 . 1 1 124 124 ALA CB C 13 17.02 0.20 . 1 . . . . 105 A CB . 18257 1 419 . 1 1 124 124 ALA N N 15 123.374 0.20 . 1 . . . . 105 A N . 18257 1 420 . 1 1 125 125 LEU H H 1 7.783 0.02 . 1 . . . . 106 L HN . 18257 1 421 . 1 1 125 125 LEU C C 13 175.063 0.20 . 1 . . . . 106 L CO . 18257 1 422 . 1 1 125 125 LEU CA C 13 57.555 0.20 . 1 . . . . 106 L CA . 18257 1 423 . 1 1 125 125 LEU CB C 13 39.346 0.20 . 1 . . . . 106 L CB . 18257 1 424 . 1 1 125 125 LEU N N 15 122.845 0.20 . 1 . . . . 106 L N . 18257 1 425 . 1 1 126 126 ARG H H 1 8.477 0.02 . 1 . . . . 107 R HN . 18257 1 426 . 1 1 126 126 ARG C C 13 176.537 0.20 . 1 . . . . 107 R CO . 18257 1 427 . 1 1 126 126 ARG CA C 13 59.59 0.20 . 1 . . . . 107 R CA . 18257 1 428 . 1 1 126 126 ARG CB C 13 29.859 0.20 . 1 . . . . 107 R CB . 18257 1 429 . 1 1 126 126 ARG N N 15 121.361 0.20 . 1 . . . . 107 R N . 18257 1 430 . 1 1 127 127 GLN H H 1 8.518 0.02 . 1 . . . . 108 Q HN . 18257 1 431 . 1 1 127 127 GLN C C 13 175.225 0.20 . 1 . . . . 108 Q CO . 18257 1 432 . 1 1 127 127 GLN CA C 13 58.391 0.20 . 1 . . . . 108 Q CA . 18257 1 433 . 1 1 127 127 GLN CB C 13 27.301 0.20 . 1 . . . . 108 Q CB . 18257 1 434 . 1 1 127 127 GLN N N 15 119.257 0.20 . 1 . . . . 108 Q N . 18257 1 435 . 1 1 128 128 TRP H H 1 8.081 0.02 . 1 . . . . 109 W HN . 18257 1 436 . 1 1 128 128 TRP C C 13 174.781 0.20 . 1 . . . . 109 W CO . 18257 1 437 . 1 1 128 128 TRP CA C 13 61.347 0.20 . 1 . . . . 109 W CA . 18257 1 438 . 1 1 128 128 TRP CB C 13 27.566 0.20 . 1 . . . . 109 W CB . 18257 1 439 . 1 1 128 128 TRP N N 15 123.363 0.20 . 1 . . . . 109 W N . 18257 1 440 . 1 1 129 129 MET H H 1 8.949 0.02 . 1 . . . . 110 M HN . 18257 1 441 . 1 1 129 129 MET C C 13 175.897 0.20 . 1 . . . . 110 M CO . 18257 1 442 . 1 1 129 129 MET CA C 13 59.714 0.20 . 1 . . . . 110 M CA . 18257 1 443 . 1 1 129 129 MET CB C 13 32.853 0.20 . 1 . . . . 110 M CB . 18257 1 444 . 1 1 129 129 MET N N 15 117.922 0.20 . 1 . . . . 110 M N . 18257 1 445 . 1 1 130 130 ARG H H 1 7.943 0.02 . 1 . . . . 111 R HN . 18257 1 446 . 1 1 130 130 ARG C C 13 177.932 0.20 . 1 . . . . 111 R CO . 18257 1 447 . 1 1 130 130 ARG CA C 13 58.551 0.20 . 1 . . . . 111 R CA . 18257 1 448 . 1 1 130 130 ARG CB C 13 28.915 0.20 . 1 . . . . 111 R CB . 18257 1 449 . 1 1 130 130 ARG N N 15 118.438 0.20 . 1 . . . . 111 R N . 18257 1 450 . 1 1 131 131 GLU H H 1 8.423 0.02 . 1 . . . . 112 E HN . 18257 1 451 . 1 1 131 131 GLU C C 13 176.172 0.20 . 1 . . . . 112 E CO . 18257 1 452 . 1 1 131 131 GLU CA C 13 58.603 0.20 . 1 . . . . 112 E CA . 18257 1 453 . 1 1 131 131 GLU CB C 13 28.483 0.20 . 1 . . . . 112 E CB . 18257 1 454 . 1 1 131 131 GLU N N 15 122.096 0.20 . 1 . . . . 112 E N . 18257 1 455 . 1 1 132 132 LYS H H 1 7.645 0.02 . 1 . . . . 113 K HN . 18257 1 456 . 1 1 132 132 LYS C C 13 174.416 0.20 . 1 . . . . 113 K CO . 18257 1 457 . 1 1 132 132 LYS CA C 13 53.647 0.20 . 1 . . . . 113 K CA . 18257 1 458 . 1 1 132 132 LYS CB C 13 31.255 0.20 . 1 . . . . 113 K CB . 18257 1 459 . 1 1 132 132 LYS N N 15 114.931 0.20 . 1 . . . . 113 K N . 18257 1 460 . 1 1 133 133 GLY H H 1 7.687 0.02 . 1 . . . . 114 G HN . 18257 1 461 . 1 1 133 133 GLY C C 13 172.504 0.20 . 1 . . . . 114 G CO . 18257 1 462 . 1 1 133 133 GLY CA C 13 46.263 0.20 . 1 . . . . 114 G CA . 18257 1 463 . 1 1 133 133 GLY N N 15 110.145 0.20 . 1 . . . . 114 G N . 18257 1 464 . 1 1 134 134 ILE H H 1 8.27 0.02 . 1 . . . . 115 I HN . 18257 1 465 . 1 1 134 134 ILE C C 13 172.053 0.20 . 1 . . . . 115 I CO . 18257 1 466 . 1 1 134 134 ILE CA C 13 60.974 0.20 . 1 . . . . 115 I CA . 18257 1 467 . 1 1 134 134 ILE CB C 13 38.335 0.20 . 1 . . . . 115 I CB . 18257 1 468 . 1 1 134 134 ILE N N 15 121.191 0.20 . 1 . . . . 115 I N . 18257 1 469 . 1 1 135 135 GLN H H 1 8.302 0.02 . 1 . . . . 116 Q HN . 18257 1 470 . 1 1 135 135 GLN C C 13 171.001 0.20 . 1 . . . . 116 Q CO . 18257 1 471 . 1 1 135 135 GLN CA C 13 54.365 0.20 . 1 . . . . 116 Q CA . 18257 1 472 . 1 1 135 135 GLN CB C 13 28.447 0.20 . 1 . . . . 116 Q CB . 18257 1 473 . 1 1 135 135 GLN N N 15 128.102 0.20 . 1 . . . . 116 Q N . 18257 1 474 . 1 1 136 136 PHE H H 1 7.837 0.02 . 1 . . . . 117 F HN . 18257 1 475 . 1 1 136 136 PHE C C 13 170.637 0.20 . 1 . . . . 117 F CO . 18257 1 476 . 1 1 136 136 PHE CA C 13 57.391 0.20 . 1 . . . . 117 F CA . 18257 1 477 . 1 1 136 136 PHE CB C 13 40.525 0.20 . 1 . . . . 117 F CB . 18257 1 478 . 1 1 136 136 PHE N N 15 125.001 0.20 . 1 . . . . 117 F N . 18257 1 479 . 1 1 137 137 GLU H H 1 7.822 0.02 . 1 . . . . 118 E HN . 18257 1 480 . 1 1 137 137 GLU C C 13 172.215 0.20 . 1 . . . . 118 E CO . 18257 1 481 . 1 1 137 137 GLU CA C 13 55.637 0.20 . 1 . . . . 118 E CA . 18257 1 482 . 1 1 137 137 GLU CB C 13 30.245 0.20 . 1 . . . . 118 E CB . 18257 1 483 . 1 1 137 137 GLU N N 15 127.052 0.20 . 1 . . . . 118 E N . 18257 1 484 . 1 1 139 139 LYS C C 13 175.394 0.20 . 1 . . . . 120 K CO . 18257 1 485 . 1 1 139 139 LYS CA C 13 56.292 0.20 . 1 . . . . 120 K CA . 18257 1 486 . 1 1 139 139 LYS CB C 13 32.827 0.20 . 1 . . . . 120 K CB . 18257 1 487 . 1 1 140 140 GLN H H 1 8.527 0.02 . 1 . . . . 121 Q HN . 18257 1 488 . 1 1 140 140 GLN C C 13 173.968 0.20 . 1 . . . . 121 Q CO . 18257 1 489 . 1 1 140 140 GLN CA C 13 56.668 0.20 . 1 . . . . 121 Q CA . 18257 1 490 . 1 1 140 140 GLN CB C 13 28.143 0.20 . 1 . . . . 121 Q CB . 18257 1 491 . 1 1 140 140 GLN N N 15 122.481 0.20 . 1 . . . . 121 Q N . 18257 1 492 . 1 1 141 141 ASN H H 1 8.97 0.02 . 1 . . . . 122 N HN . 18257 1 493 . 1 1 141 141 ASN C C 13 171.235 0.20 . 1 . . . . 122 N CO . 18257 1 494 . 1 1 141 141 ASN CA C 13 54.292 0.20 . 1 . . . . 122 N CA . 18257 1 495 . 1 1 141 141 ASN CB C 13 36.905 0.20 . 1 . . . . 122 N CB . 18257 1 496 . 1 1 141 141 ASN N N 15 116.331 0.20 . 1 . . . . 122 N N . 18257 1 497 . 1 1 142 142 GLU H H 1 7.535 0.02 . 1 . . . . 123 E HN . 18257 1 498 . 1 1 142 142 GLU C C 13 171.63 0.20 . 1 . . . . 123 E CO . 18257 1 499 . 1 1 142 142 GLU CA C 13 53.266 0.20 . 1 . . . . 123 E CA . 18257 1 500 . 1 1 142 142 GLU CB C 13 30.179 0.20 . 1 . . . . 123 E CB . 18257 1 501 . 1 1 142 142 GLU N N 15 118.843 0.20 . 1 . . . . 123 E N . 18257 1 502 . 1 1 143 143 PRO C C 13 175.59 0.20 . 1 . . . . 124 P CO . 18257 1 503 . 1 1 143 143 PRO CA C 13 62.754 0.20 . 1 . . . . 124 P CA . 18257 1 504 . 1 1 143 143 PRO CB C 13 31.77 0.20 . 1 . . . . 124 P CB . 18257 1 505 . 1 1 144 144 GLU H H 1 10.26 0.02 . 1 . . . . 125 E HN . 18257 1 506 . 1 1 144 144 GLU C C 13 173.219 0.20 . 1 . . . . 125 E CO . 18257 1 507 . 1 1 144 144 GLU CA C 13 58.87 0.20 . 1 . . . . 125 E CA . 18257 1 508 . 1 1 144 144 GLU CB C 13 28.821 0.20 . 1 . . . . 125 E CB . 18257 1 509 . 1 1 144 144 GLU N N 15 121.412 0.20 . 1 . . . . 125 E N . 18257 1 510 . 1 1 145 145 ASP H H 1 8.392 0.02 . 1 . . . . 126 D HN . 18257 1 511 . 1 1 145 145 ASP C C 13 173.055 0.20 . 1 . . . . 126 D CO . 18257 1 512 . 1 1 145 145 ASP CA C 13 51.967 0.20 . 1 . . . . 126 D CA . 18257 1 513 . 1 1 145 145 ASP CB C 13 39.011 0.20 . 1 . . . . 126 D CB . 18257 1 514 . 1 1 145 145 ASP N N 15 114.843 0.20 . 1 . . . . 126 D N . 18257 1 515 . 1 1 146 146 HIS H H 1 6.891 0.02 . 1 . . . . 127 H HN . 18257 1 516 . 1 1 146 146 HIS C C 13 173.935 0.20 . 1 . . . . 127 H CO . 18257 1 517 . 1 1 146 146 HIS CA C 13 56.748 0.20 . 1 . . . . 127 H CA . 18257 1 518 . 1 1 146 146 HIS CB C 13 31.281 0.20 . 1 . . . . 127 H CB . 18257 1 519 . 1 1 146 146 HIS N N 15 119.942 0.20 . 1 . . . . 127 H N . 18257 1 520 . 1 1 150 150 LEU C C 13 172.968 0.20 . 1 . . . . 131 L CO . 18257 1 521 . 1 1 151 151 LEU H H 1 8.641 0.02 . 1 . . . . 132 L HN . 18257 1 522 . 1 1 151 151 LEU C C 13 176.537 0.20 . 1 . . . . 132 L CO . 18257 1 523 . 1 1 151 151 LEU CA C 13 57.731 0.20 . 1 . . . . 132 L CA . 18257 1 524 . 1 1 151 151 LEU CB C 13 41.317 0.20 . 1 . . . . 132 L CB . 18257 1 525 . 1 1 151 151 LEU N N 15 121.071 0.20 . 1 . . . . 132 L N . 18257 1 526 . 1 1 152 152 LEU H H 1 7.16 0.02 . 1 . . . . 133 L HN . 18257 1 527 . 1 1 152 152 LEU C C 13 177.434 0.20 . 1 . . . . 133 L CO . 18257 1 528 . 1 1 152 152 LEU CA C 13 57.578 0.20 . 1 . . . . 133 L CA . 18257 1 529 . 1 1 152 152 LEU CB C 13 39.996 0.20 . 1 . . . . 133 L CB . 18257 1 530 . 1 1 152 152 LEU N N 15 119.458 0.20 . 1 . . . . 133 L N . 18257 1 531 . 1 1 153 153 MET H H 1 8.567 0.02 . 1 . . . . 134 M HN . 18257 1 532 . 1 1 153 153 MET C C 13 175.479 0.20 . 1 . . . . 134 M CO . 18257 1 533 . 1 1 153 153 MET CA C 13 58.717 0.20 . 1 . . . . 134 M CA . 18257 1 534 . 1 1 153 153 MET CB C 13 32.18 0.20 . 1 . . . . 134 M CB . 18257 1 535 . 1 1 153 153 MET N N 15 122.885 0.20 . 1 . . . . 134 M N . 18257 1 536 . 1 1 154 154 ALA H H 1 8.456 0.02 . 1 . . . . 135 A HN . 18257 1 537 . 1 1 154 154 ALA C C 13 176.783 0.20 . 1 . . . . 135 A CO . 18257 1 538 . 1 1 154 154 ALA CA C 13 55.073 0.20 . 1 . . . . 135 A CA . 18257 1 539 . 1 1 154 154 ALA CB C 13 16.532 0.20 . 1 . . . . 135 A CB . 18257 1 540 . 1 1 154 154 ALA N N 15 122.893 0.20 . 1 . . . . 135 A N . 18257 1 541 . 1 1 155 155 ALA H H 1 8.187 0.02 . 1 . . . . 136 A HN . 18257 1 542 . 1 1 155 155 ALA C C 13 175.999 0.20 . 1 . . . . 136 A CO . 18257 1 543 . 1 1 155 155 ALA CA C 13 54.939 0.20 . 1 . . . . 136 A CA . 18257 1 544 . 1 1 155 155 ALA CB C 13 18.252 0.20 . 1 . . . . 136 A CB . 18257 1 545 . 1 1 155 155 ALA N N 15 119.66 0.20 . 1 . . . . 136 A N . 18257 1 546 . 1 1 156 156 TRP H H 1 7.857 0.02 . 1 . . . . 137 W HN . 18257 1 547 . 1 1 156 156 TRP C C 13 176.832 0.20 . 1 . . . . 137 W CO . 18257 1 548 . 1 1 156 156 TRP CA C 13 60.795 0.20 . 1 . . . . 137 W CA . 18257 1 549 . 1 1 156 156 TRP CB C 13 28.032 0.20 . 1 . . . . 137 W CB . 18257 1 550 . 1 1 156 156 TRP N N 15 119.803 0.20 . 1 . . . . 137 W N . 18257 1 551 . 1 1 157 157 LEU H H 1 9.013 0.02 . 1 . . . . 138 L HN . 18257 1 552 . 1 1 157 157 LEU C C 13 176.429 0.20 . 1 . . . . 138 L CO . 18257 1 553 . 1 1 157 157 LEU CA C 13 57.556 0.20 . 1 . . . . 138 L CA . 18257 1 554 . 1 1 157 157 LEU CB C 13 40.622 0.20 . 1 . . . . 138 L CB . 18257 1 555 . 1 1 157 157 LEU N N 15 121.542 0.20 . 1 . . . . 138 L N . 18257 1 556 . 1 1 158 158 ALA H H 1 8.3 0.02 . 1 . . . . 139 A HN . 18257 1 557 . 1 1 158 158 ALA C C 13 179.198 0.20 . 1 . . . . 139 A CO . 18257 1 558 . 1 1 158 158 ALA CA C 13 55.001 0.20 . 1 . . . . 139 A CA . 18257 1 559 . 1 1 158 158 ALA CB C 13 18.323 0.20 . 1 . . . . 139 A CB . 18257 1 560 . 1 1 158 158 ALA N N 15 121.452 0.20 . 1 . . . . 139 A N . 18257 1 561 . 1 1 159 159 GLU H H 1 8.501 0.02 . 1 . . . . 140 E HN . 18257 1 562 . 1 1 159 159 GLU C C 13 177.078 0.20 . 1 . . . . 140 E CO . 18257 1 563 . 1 1 159 159 GLU CA C 13 58.052 0.20 . 1 . . . . 140 E CA . 18257 1 564 . 1 1 159 159 GLU CB C 13 28.541 0.20 . 1 . . . . 140 E CB . 18257 1 565 . 1 1 159 159 GLU N N 15 119.661 0.20 . 1 . . . . 140 E N . 18257 1 566 . 1 1 160 160 ASN H H 1 7.125 0.02 . 1 . . . . 141 N HN . 18257 1 567 . 1 1 160 160 ASN C C 13 171.785 0.20 . 1 . . . . 141 N CO . 18257 1 568 . 1 1 160 160 ASN CA C 13 53.198 0.20 . 1 . . . . 141 N CA . 18257 1 569 . 1 1 160 160 ASN CB C 13 38.575 0.20 . 1 . . . . 141 N CB . 18257 1 570 . 1 1 160 160 ASN N N 15 115.51 0.20 . 1 . . . . 141 N N . 18257 1 571 . 1 1 161 161 GLY H H 1 7.749 0.02 . 1 . . . . 142 G HN . 18257 1 572 . 1 1 161 161 GLY C C 13 172.314 0.20 . 1 . . . . 142 G CO . 18257 1 573 . 1 1 161 161 GLY CA C 13 45.693 0.20 . 1 . . . . 142 G CA . 18257 1 574 . 1 1 161 161 GLY N N 15 107.889 0.20 . 1 . . . . 142 G N . 18257 1 575 . 1 1 162 162 ARG H H 1 7.968 0.02 . 1 . . . . 143 R HN . 18257 1 576 . 1 1 162 162 ARG C C 13 173.331 0.20 . 1 . . . . 143 R CO . 18257 1 577 . 1 1 162 162 ARG CA C 13 53.826 0.20 . 1 . . . . 143 R CA . 18257 1 578 . 1 1 162 162 ARG CB C 13 26.244 0.20 . 1 . . . . 143 R CB . 18257 1 579 . 1 1 162 162 ARG N N 15 122.897 0.20 . 1 . . . . 143 R N . 18257 1 580 . 1 1 163 163 GLN H H 1 7.369 0.02 . 1 . . . . 144 Q HN . 18257 1 581 . 1 1 163 163 GLN C C 13 174.621 0.20 . 1 . . . . 144 Q CO . 18257 1 582 . 1 1 163 163 GLN CA C 13 58.528 0.20 . 1 . . . . 144 Q CA . 18257 1 583 . 1 1 163 163 GLN CB C 13 27.37 0.20 . 1 . . . . 144 Q CB . 18257 1 584 . 1 1 163 163 GLN N N 15 120.819 0.20 . 1 . . . . 144 Q N . 18257 1 585 . 1 1 164 164 THR H H 1 8.215 0.02 . 1 . . . . 145 T HN . 18257 1 586 . 1 1 164 164 THR C C 13 175.487 0.20 . 1 . . . . 145 T CO . 18257 1 587 . 1 1 164 164 THR CA C 13 66.174 0.20 . 1 . . . . 145 T CA . 18257 1 588 . 1 1 164 164 THR CB C 13 67.664 0.20 . 1 . . . . 145 T CB . 18257 1 589 . 1 1 164 164 THR N N 15 117.009 0.20 . 1 . . . . 145 T N . 18257 1 590 . 1 1 165 165 GLU H H 1 8.986 0.02 . 1 . . . . 146 E HN . 18257 1 591 . 1 1 165 165 GLU C C 13 174.795 0.20 . 1 . . . . 146 E CO . 18257 1 592 . 1 1 165 165 GLU CA C 13 60.541 0.20 . 1 . . . . 146 E CA . 18257 1 593 . 1 1 165 165 GLU CB C 13 28.132 0.20 . 1 . . . . 146 E CB . 18257 1 594 . 1 1 165 165 GLU N N 15 121.746 0.20 . 1 . . . . 146 E N . 18257 1 595 . 1 1 166 166 CYS H H 1 7.988 0.02 . 1 . . . . 147 C HN . 18257 1 596 . 1 1 166 166 CYS C C 13 172.443 0.20 . 1 . . . . 147 C CO . 18257 1 597 . 1 1 166 166 CYS CA C 13 62.794 0.20 . 1 . . . . 147 C CA . 18257 1 598 . 1 1 166 166 CYS CB C 13 25 0.20 . 1 . . . . 147 C CB . 18257 1 599 . 1 1 166 166 CYS N N 15 118.831 0.20 . 1 . . . . 147 C N . 18257 1 600 . 1 1 167 167 GLU H H 1 7.649 0.02 . 1 . . . . 148 E HN . 18257 1 601 . 1 1 167 167 GLU C C 13 174.783 0.20 . 1 . . . . 148 E CO . 18257 1 602 . 1 1 167 167 GLU CA C 13 61.039 0.20 . 1 . . . . 148 E CA . 18257 1 603 . 1 1 167 167 GLU CB C 13 28.148 0.20 . 1 . . . . 148 E CB . 18257 1 604 . 1 1 167 167 GLU N N 15 117.369 0.20 . 1 . . . . 148 E N . 18257 1 605 . 1 1 168 168 GLU H H 1 7.992 0.02 . 1 . . . . 149 E HN . 18257 1 606 . 1 1 168 168 GLU C C 13 175.205 0.20 . 1 . . . . 149 E CO . 18257 1 607 . 1 1 168 168 GLU CA C 13 58.641 0.20 . 1 . . . . 149 E CA . 18257 1 608 . 1 1 168 168 GLU CB C 13 29.388 0.20 . 1 . . . . 149 E CB . 18257 1 609 . 1 1 168 168 GLU N N 15 118.459 0.20 . 1 . . . . 149 E N . 18257 1 610 . 1 1 169 169 LEU H H 1 8.049 0.02 . 1 . . . . 150 L HN . 18257 1 611 . 1 1 169 169 LEU C C 13 176.923 0.20 . 1 . . . . 150 L CO . 18257 1 612 . 1 1 169 169 LEU CA C 13 58.044 0.20 . 1 . . . . 150 L CA . 18257 1 613 . 1 1 169 169 LEU CB C 13 40.539 0.20 . 1 . . . . 150 L CB . 18257 1 614 . 1 1 169 169 LEU N N 15 119.587 0.20 . 1 . . . . 150 L N . 18257 1 615 . 1 1 170 170 LEU H H 1 7.549 0.02 . 1 . . . . 151 L HN . 18257 1 616 . 1 1 170 170 LEU C C 13 175.547 0.20 . 1 . . . . 151 L CO . 18257 1 617 . 1 1 170 170 LEU CA C 13 57.124 0.20 . 1 . . . . 151 L CA . 18257 1 618 . 1 1 170 170 LEU CB C 13 39.361 0.20 . 1 . . . . 151 L CB . 18257 1 619 . 1 1 170 170 LEU N N 15 116.99 0.20 . 1 . . . . 151 L N . 18257 1 620 . 1 1 171 171 ALA H H 1 8.81 0.02 . 1 . . . . 152 A HN . 18257 1 621 . 1 1 171 171 ALA C C 13 177.853 0.20 . 1 . . . . 152 A CO . 18257 1 622 . 1 1 171 171 ALA CA C 13 55.495 0.20 . 1 . . . . 152 A CA . 18257 1 623 . 1 1 171 171 ALA CB C 13 18.045 0.20 . 1 . . . . 152 A CB . 18257 1 624 . 1 1 171 171 ALA N N 15 120.027 0.20 . 1 . . . . 152 A N . 18257 1 625 . 1 1 173 173 HIS H H 1 7.682 0.02 . 1 . . . . 154 H HN . 18257 1 626 . 1 1 173 173 HIS C C 13 174.587 0.20 . 1 . . . . 154 H CO . 18257 1 627 . 1 1 173 173 HIS CA C 13 58.559 0.20 . 1 . . . . 154 H CA . 18257 1 628 . 1 1 173 173 HIS CB C 13 29.327 0.20 . 1 . . . . 154 H CB . 18257 1 629 . 1 1 173 173 HIS N N 15 118.107 0.20 . 1 . . . . 154 H N . 18257 1 630 . 1 1 174 174 LEU H H 1 8.217 0.02 . 1 . . . . 155 L HN . 18257 1 631 . 1 1 174 174 LEU C C 13 175.459 0.20 . 1 . . . . 155 L CO . 18257 1 632 . 1 1 174 174 LEU CA C 13 56.196 0.20 . 1 . . . . 155 L CA . 18257 1 633 . 1 1 174 174 LEU CB C 13 42.99 0.20 . 1 . . . . 155 L CB . 18257 1 634 . 1 1 174 174 LEU N N 15 117.43 0.20 . 1 . . . . 155 L N . 18257 1 635 . 1 1 175 175 PHE H H 1 8.081 0.02 . 1 . . . . 156 F HN . 18257 1 636 . 1 1 175 175 PHE C C 13 173.33 0.20 . 1 . . . . 156 F CO . 18257 1 637 . 1 1 175 175 PHE CA C 13 57.796 0.20 . 1 . . . . 156 F CA . 18257 1 638 . 1 1 175 175 PHE CB C 13 39.731 0.20 . 1 . . . . 156 F CB . 18257 1 639 . 1 1 175 175 PHE N N 15 111.014 0.20 . 1 . . . . 156 F N . 18257 1 640 . 1 1 176 176 PRO C C 13 173.936 0.20 . 1 . . . . 157 P CO . 18257 1 641 . 1 1 176 176 PRO CB C 13 32.883 0.20 . 1 . . . . 157 P CB . 18257 1 642 . 1 1 177 177 TRP H H 1 8.505 0.02 . 1 . . . . 158 W HN . 18257 1 643 . 1 1 177 177 TRP C C 13 173.622 0.20 . 1 . . . . 158 W CO . 18257 1 644 . 1 1 177 177 TRP CA C 13 55.211 0.20 . 1 . . . . 158 W CA . 18257 1 645 . 1 1 177 177 TRP CB C 13 28.128 0.20 . 1 . . . . 158 W CB . 18257 1 646 . 1 1 177 177 TRP N N 15 122.597 0.20 . 1 . . . . 158 W N . 18257 1 647 . 1 1 178 178 SER H H 1 7.877 0.02 . 1 . . . . 159 S HN . 18257 1 648 . 1 1 178 178 SER C C 13 171.211 0.20 . 1 . . . . 159 S CO . 18257 1 649 . 1 1 178 178 SER CA C 13 62.553 0.20 . 1 . . . . 159 S CA . 18257 1 650 . 1 1 178 178 SER CB C 13 60.652 0.20 . 1 . . . . 159 S CB . 18257 1 651 . 1 1 178 178 SER N N 15 118.683 0.20 . 1 . . . . 159 S N . 18257 1 652 . 1 1 179 179 THR H H 1 7.554 0.02 . 1 . . . . 160 T HN . 18257 1 653 . 1 1 179 179 THR C C 13 171.627 0.20 . 1 . . . . 160 T CO . 18257 1 654 . 1 1 179 179 THR CA C 13 66.004 0.20 . 1 . . . . 160 T CA . 18257 1 655 . 1 1 179 179 THR CB C 13 66.923 0.20 . 1 . . . . 160 T CB . 18257 1 656 . 1 1 179 179 THR N N 15 118.994 0.20 . 1 . . . . 160 T N . 18257 1 657 . 1 1 180 180 ARG H H 1 7.235 0.02 . 1 . . . . 161 R HN . 18257 1 658 . 1 1 180 180 ARG C C 13 173.759 0.20 . 1 . . . . 161 R CO . 18257 1 659 . 1 1 180 180 ARG CA C 13 57.279 0.20 . 1 . . . . 161 R CA . 18257 1 660 . 1 1 180 180 ARG CB C 13 28.38 0.20 . 1 . . . . 161 R CB . 18257 1 661 . 1 1 180 180 ARG N N 15 122.311 0.20 . 1 . . . . 161 R N . 18257 1 662 . 1 1 181 181 PHE H H 1 7.12 0.02 . 1 . . . . 162 F HN . 18257 1 663 . 1 1 181 181 PHE C C 13 174.511 0.20 . 1 . . . . 162 F CO . 18257 1 664 . 1 1 181 181 PHE CA C 13 58.993 0.20 . 1 . . . . 162 F CA . 18257 1 665 . 1 1 181 181 PHE CB C 13 37.991 0.20 . 1 . . . . 162 F CB . 18257 1 666 . 1 1 181 181 PHE N N 15 116.379 0.20 . 1 . . . . 162 F N . 18257 1 667 . 1 1 182 182 LEU H H 1 7.925 0.02 . 1 . . . . 163 L HN . 18257 1 668 . 1 1 182 182 LEU C C 13 175.297 0.20 . 1 . . . . 163 L CO . 18257 1 669 . 1 1 182 182 LEU CA C 13 56.754 0.20 . 1 . . . . 163 L CA . 18257 1 670 . 1 1 182 182 LEU CB C 13 40.593 0.20 . 1 . . . . 163 L CB . 18257 1 671 . 1 1 182 182 LEU N N 15 119.87 0.20 . 1 . . . . 163 L N . 18257 1 672 . 1 1 183 183 ASP H H 1 8.498 0.02 . 1 . . . . 164 D HN . 18257 1 673 . 1 1 183 183 ASP C C 13 177.458 0.20 . 1 . . . . 164 D CO . 18257 1 674 . 1 1 183 183 ASP CA C 13 57.145 0.20 . 1 . . . . 164 D CA . 18257 1 675 . 1 1 183 183 ASP CB C 13 39.243 0.20 . 1 . . . . 164 D CB . 18257 1 676 . 1 1 183 183 ASP N N 15 120.524 0.20 . 1 . . . . 164 D N . 18257 1 677 . 1 1 184 184 VAL H H 1 7.561 0.02 . 1 . . . . 165 V HN . 18257 1 678 . 1 1 184 184 VAL C C 13 174.593 0.20 . 1 . . . . 165 V CO . 18257 1 679 . 1 1 184 184 VAL CA C 13 65.827 0.20 . 1 . . . . 165 V CA . 18257 1 680 . 1 1 184 184 VAL CB C 13 30.64 0.20 . 1 . . . . 165 V CB . 18257 1 681 . 1 1 184 184 VAL N N 15 120.731 0.20 . 1 . . . . 165 V N . 18257 1 682 . 1 1 185 185 PHE H H 1 8.54 0.02 . 1 . . . . 166 F HN . 18257 1 683 . 1 1 185 185 PHE C C 13 173.99 0.20 . 1 . . . . 166 F CO . 18257 1 684 . 1 1 185 185 PHE CA C 13 62.179 0.20 . 1 . . . . 166 F CA . 18257 1 685 . 1 1 185 185 PHE CB C 13 39.221 0.20 . 1 . . . . 166 F CB . 18257 1 686 . 1 1 185 185 PHE N N 15 121.497 0.20 . 1 . . . . 166 F N . 18257 1 687 . 1 1 186 186 ILE H H 1 8.859 0.02 . 1 . . . . 167 I HN . 18257 1 688 . 1 1 186 186 ILE C C 13 175.199 0.20 . 1 . . . . 167 I CO . 18257 1 689 . 1 1 186 186 ILE CA C 13 65.421 0.20 . 1 . . . . 167 I CA . 18257 1 690 . 1 1 186 186 ILE CB C 13 38.394 0.20 . 1 . . . . 167 I CB . 18257 1 691 . 1 1 186 186 ILE N N 15 117.469 0.20 . 1 . . . . 167 I N . 18257 1 692 . 1 1 187 187 GLU H H 1 7.096 0.02 . 1 . . . . 168 E HN . 18257 1 693 . 1 1 187 187 GLU C C 13 175.937 0.20 . 1 . . . . 168 E CO . 18257 1 694 . 1 1 187 187 GLU CA C 13 58.332 0.20 . 1 . . . . 168 E CA . 18257 1 695 . 1 1 187 187 GLU CB C 13 29.086 0.20 . 1 . . . . 168 E CB . 18257 1 696 . 1 1 187 187 GLU N N 15 117.879 0.20 . 1 . . . . 168 E N . 18257 1 697 . 1 1 188 188 LYS H H 1 7.795 0.02 . 1 . . . . 169 K HN . 18257 1 698 . 1 1 188 188 LYS C C 13 174.984 0.20 . 1 . . . . 169 K CO . 18257 1 699 . 1 1 188 188 LYS CA C 13 54.502 0.20 . 1 . . . . 169 K CA . 18257 1 700 . 1 1 188 188 LYS CB C 13 32.326 0.20 . 1 . . . . 169 K CB . 18257 1 701 . 1 1 188 188 LYS N N 15 114.852 0.20 . 1 . . . . 169 K N . 18257 1 702 . 1 1 189 189 ALA H H 1 7.877 0.02 . 1 . . . . 170 A HN . 18257 1 703 . 1 1 189 189 ALA C C 13 177.101 0.20 . 1 . . . . 170 A CO . 18257 1 704 . 1 1 189 189 ALA CA C 13 55.064 0.20 . 1 . . . . 170 A CA . 18257 1 705 . 1 1 189 189 ALA CB C 13 16.52 0.20 . 1 . . . . 170 A CB . 18257 1 706 . 1 1 189 189 ALA N N 15 123.195 0.20 . 1 . . . . 170 A N . 18257 1 707 . 1 1 190 190 GLU H H 1 8.894 0.02 . 1 . . . . 171 E HN . 18257 1 708 . 1 1 190 190 GLU C C 13 172.232 0.20 . 1 . . . . 171 E CO . 18257 1 709 . 1 1 190 190 GLU CA C 13 57.499 0.20 . 1 . . . . 171 E CA . 18257 1 710 . 1 1 190 190 GLU CB C 13 27.015 0.20 . 1 . . . . 171 E CB . 18257 1 711 . 1 1 190 190 GLU N N 15 110.734 0.20 . 1 . . . . 171 E N . 18257 1 712 . 1 1 191 191 HIS H H 1 7.359 0.02 . 1 . . . . 172 H HN . 18257 1 713 . 1 1 191 191 HIS C C 13 171.967 0.20 . 1 . . . . 172 H CO . 18257 1 714 . 1 1 191 191 HIS CA C 13 55.282 0.20 . 1 . . . . 172 H CA . 18257 1 715 . 1 1 191 191 HIS CB C 13 33.829 0.20 . 1 . . . . 172 H CB . 18257 1 716 . 1 1 191 191 HIS N N 15 119.222 0.20 . 1 . . . . 172 H N . 18257 1 717 . 1 1 192 192 PRO C C 13 176.048 0.20 . 1 . . . . 173 P CO . 18257 1 718 . 1 1 192 192 PRO CA C 13 64.782 0.20 . 1 . . . . 173 P CA . 18257 1 719 . 1 1 192 192 PRO CB C 13 30.855 0.20 . 1 . . . . 173 P CB . 18257 1 720 . 1 1 193 193 PHE H H 1 9.413 0.02 . 1 . . . . 174 F HN . 18257 1 721 . 1 1 193 193 PHE C C 13 173.917 0.20 . 1 . . . . 174 F CO . 18257 1 722 . 1 1 193 193 PHE CA C 13 61.537 0.20 . 1 . . . . 174 F CA . 18257 1 723 . 1 1 193 193 PHE CB C 13 39.064 0.20 . 1 . . . . 174 F CB . 18257 1 724 . 1 1 193 193 PHE N N 15 119.823 0.20 . 1 . . . . 174 F N . 18257 1 725 . 1 1 194 194 TYR H H 1 7.134 0.02 . 1 . . . . 175 Y HN . 18257 1 726 . 1 1 194 194 TYR C C 13 174.666 0.20 . 1 . . . . 175 Y CO . 18257 1 727 . 1 1 194 194 TYR CA C 13 63.826 0.20 . 1 . . . . 175 Y CA . 18257 1 728 . 1 1 194 194 TYR CB C 13 38.016 0.20 . 1 . . . . 175 Y CB . 18257 1 729 . 1 1 194 194 TYR N N 15 115.007 0.20 . 1 . . . . 175 Y N . 18257 1 730 . 1 1 195 195 ARG H H 1 8.783 0.02 . 1 . . . . 176 R HN . 18257 1 731 . 1 1 195 195 ARG C C 13 174.923 0.20 . 1 . . . . 176 R CO . 18257 1 732 . 1 1 195 195 ARG CA C 13 60.154 0.20 . 1 . . . . 176 R CA . 18257 1 733 . 1 1 195 195 ARG CB C 13 28.691 0.20 . 1 . . . . 176 R CB . 18257 1 734 . 1 1 195 195 ARG N N 15 121.195 0.20 . 1 . . . . 176 R N . 18257 1 735 . 1 1 196 196 ALA H H 1 7.209 0.02 . 1 . . . . 177 A HN . 18257 1 736 . 1 1 196 196 ALA C C 13 175.814 0.20 . 1 . . . . 177 A CO . 18257 1 737 . 1 1 196 196 ALA CA C 13 54.317 0.20 . 1 . . . . 177 A CA . 18257 1 738 . 1 1 196 196 ALA CB C 13 15.088 0.20 . 1 . . . . 177 A CB . 18257 1 739 . 1 1 196 196 ALA N N 15 121.024 0.20 . 1 . . . . 177 A N . 18257 1 740 . 1 1 197 197 LEU H H 1 8.1 0.02 . 1 . . . . 178 L HN . 18257 1 741 . 1 1 197 197 LEU C C 13 176.647 0.20 . 1 . . . . 178 L CO . 18257 1 742 . 1 1 197 197 LEU CA C 13 57.342 0.20 . 1 . . . . 178 L CA . 18257 1 743 . 1 1 197 197 LEU CB C 13 41.379 0.20 . 1 . . . . 178 L CB . 18257 1 744 . 1 1 197 197 LEU N N 15 120.16 0.20 . 1 . . . . 178 L N . 18257 1 745 . 1 1 198 198 GLY H H 1 8.493 0.02 . 1 . . . . 179 G HN . 18257 1 746 . 1 1 198 198 GLY C C 13 172.448 0.20 . 1 . . . . 179 G CO . 18257 1 747 . 1 1 198 198 GLY CA C 13 47.14 0.20 . 1 . . . . 179 G CA . 18257 1 748 . 1 1 198 198 GLY N N 15 106.169 0.20 . 1 . . . . 179 G N . 18257 1 749 . 1 1 199 199 GLU H H 1 8.438 0.02 . 1 . . . . 180 E HN . 18257 1 750 . 1 1 199 199 GLU C C 13 176.257 0.20 . 1 . . . . 180 E CO . 18257 1 751 . 1 1 199 199 GLU CA C 13 59.634 0.20 . 1 . . . . 180 E CA . 18257 1 752 . 1 1 199 199 GLU CB C 13 29.123 0.20 . 1 . . . . 180 E CB . 18257 1 753 . 1 1 199 199 GLU N N 15 124.332 0.20 . 1 . . . . 180 E N . 18257 1 754 . 1 1 200 200 LEU H H 1 9.228 0.02 . 1 . . . . 181 L HN . 18257 1 755 . 1 1 200 200 LEU C C 13 178.391 0.20 . 1 . . . . 181 L CO . 18257 1 756 . 1 1 200 200 LEU CA C 13 57.356 0.20 . 1 . . . . 181 L CA . 18257 1 757 . 1 1 200 200 LEU CB C 13 41.397 0.20 . 1 . . . . 181 L CB . 18257 1 758 . 1 1 200 200 LEU N N 15 122.17 0.20 . 1 . . . . 181 L N . 18257 1 759 . 1 1 201 201 ALA H H 1 9.07 0.02 . 1 . . . . 182 A HN . 18257 1 760 . 1 1 201 201 ALA C C 13 175.038 0.20 . 1 . . . . 182 A CO . 18257 1 761 . 1 1 201 201 ALA CA C 13 54.846 0.20 . 1 . . . . 182 A CA . 18257 1 762 . 1 1 201 201 ALA CB C 13 17.593 0.20 . 1 . . . . 182 A CB . 18257 1 763 . 1 1 201 201 ALA N N 15 124.216 0.20 . 1 . . . . 182 A N . 18257 1 764 . 1 1 202 202 ARG H H 1 9.01 0.02 . 1 . . . . 183 R HN . 18257 1 765 . 1 1 202 202 ARG C C 13 176.81 0.20 . 1 . . . . 183 R CO . 18257 1 766 . 1 1 202 202 ARG CA C 13 59.66 0.20 . 1 . . . . 183 R CA . 18257 1 767 . 1 1 202 202 ARG CB C 13 30.101 0.20 . 1 . . . . 183 R CB . 18257 1 768 . 1 1 202 202 ARG N N 15 121.32 0.20 . 1 . . . . 183 R N . 18257 1 769 . 1 1 203 203 LEU H H 1 8.422 0.02 . 1 . . . . 184 L HN . 18257 1 770 . 1 1 203 203 LEU C C 13 177.344 0.20 . 1 . . . . 184 L CO . 18257 1 771 . 1 1 203 203 LEU CA C 13 57.206 0.20 . 1 . . . . 184 L CA . 18257 1 772 . 1 1 203 203 LEU CB C 13 43.149 0.20 . 1 . . . . 184 L CB . 18257 1 773 . 1 1 203 203 LEU N N 15 118.384 0.20 . 1 . . . . 184 L N . 18257 1 774 . 1 1 204 204 THR H H 1 8.13 0.02 . 1 . . . . 185 T HN . 18257 1 775 . 1 1 204 204 THR C C 13 171.908 0.20 . 1 . . . . 185 T CO . 18257 1 776 . 1 1 204 204 THR CA C 13 66.888 0.20 . 1 . . . . 185 T CA . 18257 1 777 . 1 1 204 204 THR CB C 13 68.209 0.20 . 1 . . . . 185 T CB . 18257 1 778 . 1 1 204 204 THR N N 15 117.803 0.20 . 1 . . . . 185 T N . 18257 1 779 . 1 1 205 205 LEU H H 1 8.683 0.02 . 1 . . . . 186 L HN . 18257 1 780 . 1 1 205 205 LEU C C 13 176.752 0.20 . 1 . . . . 186 L CO . 18257 1 781 . 1 1 205 205 LEU CA C 13 58.866 0.20 . 1 . . . . 186 L CA . 18257 1 782 . 1 1 205 205 LEU CB C 13 37.594 0.20 . 1 . . . . 186 L CB . 18257 1 783 . 1 1 205 205 LEU N N 15 121.69 0.20 . 1 . . . . 186 L N . 18257 1 784 . 1 1 206 206 ALA H H 1 7.496 0.02 . 1 . . . . 187 A HN . 18257 1 785 . 1 1 206 206 ALA C C 13 178.026 0.20 . 1 . . . . 187 A CO . 18257 1 786 . 1 1 206 206 ALA CA C 13 54.57 0.20 . 1 . . . . 187 A CA . 18257 1 787 . 1 1 206 206 ALA CB C 13 16.957 0.20 . 1 . . . . 187 A CB . 18257 1 788 . 1 1 206 206 ALA N N 15 121.205 0.20 . 1 . . . . 187 A N . 18257 1 789 . 1 1 207 207 GLN H H 1 7.192 0.02 . 1 . . . . 188 Q HN . 18257 1 790 . 1 1 207 207 GLN C C 13 177.298 0.20 . 1 . . . . 188 Q CO . 18257 1 791 . 1 1 207 207 GLN CA C 13 58.031 0.20 . 1 . . . . 188 Q CA . 18257 1 792 . 1 1 207 207 GLN CB C 13 26.97 0.20 . 1 . . . . 188 Q CB . 18257 1 793 . 1 1 207 207 GLN N N 15 120.11 0.20 . 1 . . . . 188 Q N . 18257 1 794 . 1 1 208 208 TRP H H 1 7.882 0.02 . 1 . . . . 189 W HN . 18257 1 795 . 1 1 208 208 TRP C C 13 175.916 0.20 . 1 . . . . 189 W CO . 18257 1 796 . 1 1 208 208 TRP CA C 13 57.698 0.20 . 1 . . . . 189 W CA . 18257 1 797 . 1 1 208 208 TRP CB C 13 28.314 0.20 . 1 . . . . 189 W CB . 18257 1 798 . 1 1 208 208 TRP N N 15 122.295 0.20 . 1 . . . . 189 W N . 18257 1 799 . 1 1 209 209 GLN H H 1 8.537 0.02 . 1 . . . . 190 Q HN . 18257 1 800 . 1 1 209 209 GLN C C 13 175.699 0.20 . 1 . . . . 190 Q CO . 18257 1 801 . 1 1 209 209 GLN CA C 13 59.031 0.20 . 1 . . . . 190 Q CA . 18257 1 802 . 1 1 209 209 GLN CB C 13 26.295 0.20 . 1 . . . . 190 Q CB . 18257 1 803 . 1 1 209 209 GLN N N 15 118.332 0.20 . 1 . . . . 190 Q N . 18257 1 804 . 1 1 210 210 SER H H 1 7.469 0.02 . 1 . . . . 191 S HN . 18257 1 805 . 1 1 210 210 SER C C 13 176.651 0.20 . 1 . . . . 191 S CO . 18257 1 806 . 1 1 210 210 SER CA C 13 60.14 0.20 . 1 . . . . 191 S CA . 18257 1 807 . 1 1 210 210 SER CB C 13 62.795 0.20 . 1 . . . . 191 S CB . 18257 1 808 . 1 1 210 210 SER N N 15 113.658 0.20 . 1 . . . . 191 S N . 18257 1 809 . 1 1 211 211 GLN H H 1 7.423 0.02 . 1 . . . . 192 Q HN . 18257 1 810 . 1 1 211 211 GLN C C 13 172.984 0.20 . 1 . . . . 192 Q CO . 18257 1 811 . 1 1 211 211 GLN CA C 13 54.852 0.20 . 1 . . . . 192 Q CA . 18257 1 812 . 1 1 211 211 GLN CB C 13 29.383 0.20 . 1 . . . . 192 Q CB . 18257 1 813 . 1 1 211 211 GLN N N 15 119.699 0.20 . 1 . . . . 192 Q N . 18257 1 814 . 1 1 212 212 LEU H H 1 6.868 0.02 . 1 . . . . 193 L HN . 18257 1 815 . 1 1 212 212 LEU C C 13 175.267 0.20 . 1 . . . . 193 L CO . 18257 1 816 . 1 1 212 212 LEU CA C 13 55.514 0.20 . 1 . . . . 193 L CA . 18257 1 817 . 1 1 212 212 LEU CB C 13 42.255 0.20 . 1 . . . . 193 L CB . 18257 1 818 . 1 1 212 212 LEU N N 15 119.952 0.20 . 1 . . . . 193 L N . 18257 1 819 . 1 1 213 213 LEU H H 1 10.151 0.02 . 1 . . . . 194 L HN . 18257 1 820 . 1 1 213 213 LEU C C 13 175.552 0.20 . 1 . . . . 194 L CO . 18257 1 821 . 1 1 213 213 LEU CA C 13 55.978 0.20 . 1 . . . . 194 L CA . 18257 1 822 . 1 1 213 213 LEU CB C 13 42.138 0.20 . 1 . . . . 194 L CB . 18257 1 823 . 1 1 213 213 LEU N N 15 124.417 0.20 . 1 . . . . 194 L N . 18257 1 824 . 1 1 214 214 ILE H H 1 7.907 0.02 . 1 . . . . 195 I HN . 18257 1 825 . 1 1 214 214 ILE C C 13 173.151 0.20 . 1 . . . . 195 I CO . 18257 1 826 . 1 1 214 214 ILE CA C 13 57.779 0.20 . 1 . . . . 195 I CA . 18257 1 827 . 1 1 214 214 ILE CB C 13 38.895 0.20 . 1 . . . . 195 I CB . 18257 1 828 . 1 1 214 214 ILE N N 15 110.787 0.20 . 1 . . . . 195 I N . 18257 1 829 . 1 1 215 215 PRO C C 13 174.44 0.20 . 1 . . . . 196 P CO . 18257 1 830 . 1 1 215 215 PRO CA C 13 61.938 0.20 . 1 . . . . 196 P CA . 18257 1 831 . 1 1 215 215 PRO CB C 13 31.319 0.20 . 1 . . . . 196 P CB . 18257 1 832 . 1 1 216 216 VAL H H 1 8.163 0.02 . 1 . . . . 197 V HN . 18257 1 833 . 1 1 216 216 VAL C C 13 174.711 0.20 . 1 . . . . 197 V CO . 18257 1 834 . 1 1 216 216 VAL CA C 13 62.269 0.20 . 1 . . . . 197 V CA . 18257 1 835 . 1 1 216 216 VAL CB C 13 31.465 0.20 . 1 . . . . 197 V CB . 18257 1 836 . 1 1 216 216 VAL N N 15 121.542 0.20 . 1 . . . . 197 V N . 18257 1 837 . 1 1 217 217 ALA H H 1 8.128 0.02 . 1 . . . . 198 A HN . 18257 1 838 . 1 1 217 217 ALA C C 13 173.178 0.20 . 1 . . . . 198 A CO . 18257 1 839 . 1 1 217 217 ALA CA C 13 51.905 0.20 . 1 . . . . 198 A CA . 18257 1 840 . 1 1 217 217 ALA CB C 13 18.201 0.20 . 1 . . . . 198 A CB . 18257 1 841 . 1 1 217 217 ALA N N 15 130.713 0.20 . 1 . . . . 198 A N . 18257 1 842 . 1 1 218 218 VAL H H 1 8.106 0.02 . 1 . . . . 199 V HN . 18257 1 843 . 1 1 218 218 VAL C C 13 173.514 0.20 . 1 . . . . 199 V CO . 18257 1 844 . 1 1 218 218 VAL CA C 13 62.615 0.20 . 1 . . . . 199 V CA . 18257 1 845 . 1 1 218 218 VAL CB C 13 30.468 0.20 . 1 . . . . 199 V CB . 18257 1 846 . 1 1 218 218 VAL N N 15 123.397 0.20 . 1 . . . . 199 V N . 18257 1 847 . 1 1 219 219 LYS H H 1 7.896 0.02 . 1 . . . . 200 K HN . 18257 1 848 . 1 1 219 219 LYS C C 13 171.14 0.20 . 1 . . . . 200 K CO . 18257 1 849 . 1 1 219 219 LYS CA C 13 52.247 0.20 . 1 . . . . 200 K CA . 18257 1 850 . 1 1 219 219 LYS CB C 13 34.239 0.20 . 1 . . . . 200 K CB . 18257 1 851 . 1 1 219 219 LYS N N 15 127.36 0.20 . 1 . . . . 200 K N . 18257 1 852 . 1 1 220 220 PRO C C 13 171.493 0.20 . 1 . . . . 201 P CO . 18257 1 853 . 1 1 220 220 PRO CA C 13 62.432 0.20 . 1 . . . . 201 P CA . 18257 1 854 . 1 1 220 220 PRO CB C 13 31.108 0.20 . 1 . . . . 201 P CB . 18257 1 855 . 1 1 221 221 LEU H H 1 7.802 0.02 . 1 . . . . 202 L HN . 18257 1 856 . 1 1 221 221 LEU C C 13 176.468 0.20 . 1 . . . . 202 L CO . 18257 1 857 . 1 1 221 221 LEU CA C 13 52.605 0.20 . 1 . . . . 202 L CA . 18257 1 858 . 1 1 221 221 LEU CB C 13 44.316 0.20 . 1 . . . . 202 L CB . 18257 1 859 . 1 1 221 221 LEU N N 15 119.217 0.20 . 1 . . . . 202 L N . 18257 1 860 . 1 1 222 222 PHE H H 1 8.741 0.02 . 1 . . . . 203 F HN . 18257 1 861 . 1 1 222 222 PHE C C 13 172.67 0.20 . 1 . . . . 203 F CO . 18257 1 862 . 1 1 222 222 PHE CA C 13 58.49 0.20 . 1 . . . . 203 F CA . 18257 1 863 . 1 1 222 222 PHE CB C 13 39.633 0.20 . 1 . . . . 203 F CB . 18257 1 864 . 1 1 222 222 PHE N N 15 118.603 0.20 . 1 . . . . 203 F N . 18257 1 865 . 1 1 223 223 ARG H H 1 7.664 0.02 . 1 . . . . 204 R HN . 18257 1 866 . 1 1 223 223 ARG C C 13 178.047 0.20 . 1 . . . . 204 R CO . 18257 1 867 . 1 1 223 223 ARG CA C 13 56.308 0.20 . 1 . . . . 204 R CA . 18257 1 868 . 1 1 223 223 ARG CB C 13 31.858 0.20 . 1 . . . . 204 R CB . 18257 1 869 . 1 1 223 223 ARG N N 15 125.01 0.20 . 1 . . . . 204 R N . 18257 1 stop_ save_ save_assigned_chem_shift_list_complex _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_complex _Assigned_chem_shift_list.Entry_ID 18257 _Assigned_chem_shift_list.ID 2 _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 6 '3D NHNCACB' . . . 18257 2 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 20 20 MET H H 1 8.345 0.02 . 1 . . . . 1 M HN . 18257 2 2 . 1 1 20 20 MET CA C 13 55.066 0.20 . 1 . . . . 1 M CA . 18257 2 3 . 1 1 20 20 MET CB C 13 32.068 0.20 . 1 . . . . 1 M CB . 18257 2 4 . 1 1 20 20 MET N N 15 121.979 0.20 . 1 . . . . 1 M N . 18257 2 5 . 1 1 21 21 THR H H 1 8.071 0.02 . 1 . . . . 2 T HN . 18257 2 6 . 1 1 21 21 THR CA C 13 61.336 0.20 . 1 . . . . 2 T CA . 18257 2 7 . 1 1 21 21 THR CB C 13 69.071 0.20 . 1 . . . . 2 T CB . 18257 2 8 . 1 1 21 21 THR N N 15 116.828 0.20 . 1 . . . . 2 T N . 18257 2 9 . 1 1 22 22 HIS H H 1 8.477 0.02 . 1 . . . . 3 H HN . 18257 2 10 . 1 1 22 22 HIS CA C 13 57.881 0.20 . 1 . . . . 3 H CA . 18257 2 11 . 1 1 22 22 HIS CB C 13 32.024 0.20 . 1 . . . . 3 H CB . 18257 2 12 . 1 1 22 22 HIS N N 15 126.009 0.20 . 1 . . . . 3 H N . 18257 2 13 . 1 1 23 23 PHE H H 1 8.186 0.02 . 1 . . . . 4 F HN . 18257 2 14 . 1 1 23 23 PHE N N 15 125.054 0.20 . 1 . . . . 4 F N . 18257 2 15 . 1 1 27 27 ASP H H 1 7.17 0.02 . 1 . . . . 8 D HN . 18257 2 16 . 1 1 27 27 ASP CA C 13 55.812 0.20 . 1 . . . . 8 D CA . 18257 2 17 . 1 1 27 27 ASP CB C 13 39.237 0.20 . 1 . . . . 8 D CB . 18257 2 18 . 1 1 27 27 ASP N N 15 114.001 0.20 . 1 . . . . 8 D N . 18257 2 19 . 1 1 28 28 ASN H H 1 8.527 0.02 . 1 . . . . 9 N HN . 18257 2 20 . 1 1 28 28 ASN CA C 13 53.546 0.20 . 1 . . . . 9 N CA . 18257 2 21 . 1 1 28 28 ASN CB C 13 37.101 0.20 . 1 . . . . 9 N CB . 18257 2 22 . 1 1 28 28 ASN N N 15 112.254 0.20 . 1 . . . . 9 N N . 18257 2 23 . 1 1 29 29 PHE H H 1 7.735 0.02 . 1 . . . . 10 F HN . 18257 2 24 . 1 1 29 29 PHE N N 15 120.955 0.20 . 1 . . . . 10 F N . 18257 2 25 . 1 1 30 30 SER H H 1 8.261 0.02 . 1 . . . . 11 S HN . 18257 2 26 . 1 1 30 30 SER N N 15 112.673 0.20 . 1 . . . . 11 S N . 18257 2 27 . 1 1 31 31 VAL H H 1 6.905 0.02 . 1 . . . . 12 V HN . 18257 2 28 . 1 1 31 31 VAL CA C 13 66.308 0.20 . 1 . . . . 12 V CA . 18257 2 29 . 1 1 31 31 VAL CB C 13 31.412 0.20 . 1 . . . . 12 V CB . 18257 2 30 . 1 1 31 31 VAL N N 15 121.919 0.20 . 1 . . . . 12 V N . 18257 2 31 . 1 1 32 32 ALA H H 1 7.583 0.02 . 1 . . . . 13 A HN . 18257 2 32 . 1 1 32 32 ALA CA C 13 54.954 0.20 . 1 . . . . 13 A CA . 18257 2 33 . 1 1 32 32 ALA CB C 13 16.799 0.20 . 1 . . . . 13 A CB . 18257 2 34 . 1 1 32 32 ALA N N 15 119.638 0.20 . 1 . . . . 13 A N . 18257 2 35 . 1 1 33 33 ALA H H 1 8.413 0.02 . 1 . . . . 14 A HN . 18257 2 36 . 1 1 33 33 ALA CA C 13 55.341 0.20 . 1 . . . . 14 A CA . 18257 2 37 . 1 1 33 33 ALA CB C 13 16.486 0.20 . 1 . . . . 14 A CB . 18257 2 38 . 1 1 33 33 ALA N N 15 118.888 0.20 . 1 . . . . 14 A N . 18257 2 39 . 1 1 34 34 ARG H H 1 8.126 0.02 . 1 . . . . 15 R HN . 18257 2 40 . 1 1 34 34 ARG CA C 13 60.08 0.20 . 1 . . . . 15 R CA . 18257 2 41 . 1 1 34 34 ARG CB C 13 31.161 0.20 . 1 . . . . 15 R CB . 18257 2 42 . 1 1 34 34 ARG N N 15 116.08 0.20 . 1 . . . . 15 R N . 18257 2 43 . 1 1 35 35 VAL H H 1 8.42 0.02 . 1 . . . . 16 V HN . 18257 2 44 . 1 1 35 35 VAL CA C 13 62.273 0.20 . 1 . . . . 16 V CA . 18257 2 45 . 1 1 35 35 VAL CB C 13 30.366 0.20 . 1 . . . . 16 V CB . 18257 2 46 . 1 1 35 35 VAL N N 15 121.543 0.20 . 1 . . . . 16 V N . 18257 2 47 . 1 1 37 37 GLY H H 1 8.69 0.02 . 1 . . . . 18 G HN . 18257 2 48 . 1 1 37 37 GLY CA C 13 48.93 0.20 . 1 . . . . 18 G CA . 18257 2 49 . 1 1 37 37 GLY N N 15 104.966 0.20 . 1 . . . . 18 G N . 18257 2 50 . 1 1 38 38 ALA H H 1 8.605 0.02 . 1 . . . . 19 A HN . 18257 2 51 . 1 1 38 38 ALA CA C 13 54.732 0.20 . 1 . . . . 19 A CA . 18257 2 52 . 1 1 38 38 ALA N N 15 120.383 0.20 . 1 . . . . 19 A N . 18257 2 53 . 1 1 39 39 LEU H H 1 7.658 0.02 . 1 . . . . 20 L HN . 18257 2 54 . 1 1 39 39 LEU CA C 13 54.897 0.20 . 1 . . . . 20 L CA . 18257 2 55 . 1 1 39 39 LEU CB C 13 42.508 0.20 . 1 . . . . 20 L CB . 18257 2 56 . 1 1 39 39 LEU N N 15 115.295 0.20 . 1 . . . . 20 L N . 18257 2 57 . 1 1 40 40 PHE CA C 13 56.348 0.20 . 1 . . . . 21 F CA . 18257 2 58 . 1 1 40 40 PHE CB C 13 42.071 0.20 . 1 . . . . 21 F CB . 18257 2 59 . 1 1 40 40 PHE N N 15 114.158 0.20 . 1 . . . . 21 F N . 18257 2 60 . 1 1 41 41 TYR H H 1 8.453 0.02 . 1 . . . . 22 Y HN . 18257 2 61 . 1 1 41 41 TYR CA C 13 56.478 0.20 . 1 . . . . 22 Y CA . 18257 2 62 . 1 1 41 41 TYR CB C 13 39.319 0.20 . 1 . . . . 22 Y CB . 18257 2 63 . 1 1 41 41 TYR N N 15 118.7 0.20 . 1 . . . . 22 Y N . 18257 2 64 . 1 1 42 42 TYR H H 1 8.51 0.02 . 1 . . . . 23 Y HN . 18257 2 65 . 1 1 42 42 TYR CA C 13 55.707 0.20 . 1 . . . . 23 Y CA . 18257 2 66 . 1 1 42 42 TYR CB C 13 39.176 0.20 . 1 . . . . 23 Y CB . 18257 2 67 . 1 1 42 42 TYR N N 15 116.604 0.20 . 1 . . . . 23 Y N . 18257 2 68 . 1 1 43 43 ALA H H 1 7.646 0.02 . 1 . . . . 24 A HN . 18257 2 69 . 1 1 43 43 ALA CA C 13 49.013 0.20 . 1 . . . . 24 A CA . 18257 2 70 . 1 1 43 43 ALA CB C 13 15.914 0.20 . 1 . . . . 24 A CB . 18257 2 71 . 1 1 43 43 ALA N N 15 122.501 0.20 . 1 . . . . 24 A N . 18257 2 72 . 1 1 44 44 PRO CA C 13 64.806 0.20 . 1 . . . . 25 P CA . 18257 2 73 . 1 1 44 44 PRO CB C 13 29.813 0.20 . 1 . . . . 25 P CB . 18257 2 74 . 1 1 45 45 GLU H H 1 8.285 0.02 . 1 . . . . 26 E HN . 18257 2 75 . 1 1 45 45 GLU CA C 13 54.942 0.20 . 1 . . . . 26 E CA . 18257 2 76 . 1 1 45 45 GLU CB C 13 28.117 0.20 . 1 . . . . 26 E CB . 18257 2 77 . 1 1 45 45 GLU N N 15 115.64 0.20 . 1 . . . . 26 E N . 18257 2 78 . 1 1 46 46 SER H H 1 7.776 0.02 . 1 . . . . 27 S HN . 18257 2 79 . 1 1 46 46 SER CA C 13 58.463 0.20 . 1 . . . . 27 S CA . 18257 2 80 . 1 1 46 46 SER CB C 13 64.754 0.20 . 1 . . . . 27 S CB . 18257 2 81 . 1 1 46 46 SER N N 15 118.61 0.20 . 1 . . . . 27 S N . 18257 2 82 . 1 1 47 47 ALA H H 1 8.695 0.02 . 1 . . . . 28 A HN . 18257 2 83 . 1 1 47 47 ALA CA C 13 53.767 0.20 . 1 . . . . 28 A CA . 18257 2 84 . 1 1 47 47 ALA CB C 13 17.311 0.20 . 1 . . . . 28 A CB . 18257 2 85 . 1 1 47 47 ALA N N 15 123.004 0.20 . 1 . . . . 28 A N . 18257 2 86 . 1 1 48 48 GLU H H 1 8.79 0.02 . 1 . . . . 29 E HN . 18257 2 87 . 1 1 48 48 GLU CA C 13 60.176 0.20 . 1 . . . . 29 E CA . 18257 2 88 . 1 1 48 48 GLU CB C 13 29.832 0.20 . 1 . . . . 29 E CB . 18257 2 89 . 1 1 48 48 GLU N N 15 115.12 0.20 . 1 . . . . 29 E N . 18257 2 90 . 1 1 49 49 ALA H H 1 7.181 0.02 . 1 . . . . 30 A HN . 18257 2 91 . 1 1 49 49 ALA CA C 13 52.164 0.20 . 1 . . . . 30 A CA . 18257 2 92 . 1 1 49 49 ALA CB C 13 20.066 0.20 . 1 . . . . 30 A CB . 18257 2 93 . 1 1 49 49 ALA N N 15 115.791 0.20 . 1 . . . . 30 A N . 18257 2 94 . 1 1 50 50 ALA H H 1 8.648 0.02 . 1 . . . . 31 A HN . 18257 2 95 . 1 1 50 50 ALA CA C 13 57.052 0.20 . 1 . . . . 31 A CA . 18257 2 96 . 1 1 50 50 ALA CB C 13 14.666 0.20 . 1 . . . . 31 A CB . 18257 2 97 . 1 1 50 50 ALA N N 15 124.254 0.20 . 1 . . . . 31 A N . 18257 2 98 . 1 1 51 51 PRO CA C 13 65.218 0.20 . 1 . . . . 32 P CA . 18257 2 99 . 1 1 51 51 PRO CB C 13 30.809 0.20 . 1 . . . . 32 P CB . 18257 2 100 . 1 1 52 52 LEU H H 1 7.186 0.02 . 1 . . . . 33 L HN . 18257 2 101 . 1 1 52 52 LEU CA C 13 56.336 0.20 . 1 . . . . 33 L CA . 18257 2 102 . 1 1 52 52 LEU CB C 13 40.385 0.20 . 1 . . . . 33 L CB . 18257 2 103 . 1 1 52 52 LEU N N 15 115.577 0.20 . 1 . . . . 33 L N . 18257 2 104 . 1 1 53 53 VAL H H 1 8.006 0.02 . 1 . . . . 34 V HN . 18257 2 105 . 1 1 53 53 VAL CA C 13 66.032 0.20 . 1 . . . . 34 V CA . 18257 2 106 . 1 1 53 53 VAL CB C 13 31.36 0.20 . 1 . . . . 34 V CB . 18257 2 107 . 1 1 53 53 VAL N N 15 121.068 0.20 . 1 . . . . 34 V N . 18257 2 108 . 1 1 54 54 ALA H H 1 7.678 0.02 . 1 . . . . 35 A HN . 18257 2 109 . 1 1 54 54 ALA CA C 13 54.651 0.20 . 1 . . . . 35 A CA . 18257 2 110 . 1 1 54 54 ALA CB C 13 16.934 0.20 . 1 . . . . 35 A CB . 18257 2 111 . 1 1 54 54 ALA N N 15 120.039 0.20 . 1 . . . . 35 A N . 18257 2 112 . 1 1 55 55 VAL H H 1 7.127 0.02 . 1 . . . . 36 V HN . 18257 2 113 . 1 1 55 55 VAL CA C 13 65.148 0.20 . 1 . . . . 36 V CA . 18257 2 114 . 1 1 55 55 VAL CB C 13 30.794 0.20 . 1 . . . . 36 V CB . 18257 2 115 . 1 1 55 55 VAL N N 15 117.289 0.20 . 1 . . . . 36 V N . 18257 2 116 . 1 1 56 56 LEU H H 1 7.189 0.02 . 1 . . . . 37 L HN . 18257 2 117 . 1 1 56 56 LEU CA C 13 55.975 0.20 . 1 . . . . 37 L CA . 18257 2 118 . 1 1 56 56 LEU CB C 13 40.726 0.20 . 1 . . . . 37 L CB . 18257 2 119 . 1 1 56 56 LEU N N 15 115.979 0.20 . 1 . . . . 37 L N . 18257 2 120 . 1 1 57 57 THR H H 1 7.293 0.02 . 1 . . . . 38 T HN . 18257 2 121 . 1 1 57 57 THR CA C 13 61.004 0.20 . 1 . . . . 38 T CA . 18257 2 122 . 1 1 57 57 THR CB C 13 68.518 0.20 . 1 . . . . 38 T CB . 18257 2 123 . 1 1 57 57 THR N N 15 105.239 0.20 . 1 . . . . 38 T N . 18257 2 124 . 1 1 58 58 SER H H 1 7.553 0.02 . 1 . . . . 39 S HN . 18257 2 125 . 1 1 58 58 SER CA C 13 58.96 0.20 . 1 . . . . 39 S CA . 18257 2 126 . 1 1 58 58 SER CB C 13 65.467 0.20 . 1 . . . . 39 S CB . 18257 2 127 . 1 1 58 58 SER N N 15 116.481 0.20 . 1 . . . . 39 S N . 18257 2 128 . 1 1 59 59 ASP H H 1 8.37 0.02 . 1 . . . . 40 D HN . 18257 2 129 . 1 1 59 59 ASP CA C 13 55.341 0.20 . 1 . . . . 40 D CA . 18257 2 130 . 1 1 59 59 ASP CB C 13 40.687 0.20 . 1 . . . . 40 D CB . 18257 2 131 . 1 1 59 59 ASP N N 15 119.871 0.20 . 1 . . . . 40 D N . 18257 2 132 . 1 1 60 60 GLY H H 1 9.18 0.02 . 1 . . . . 41 G HN . 18257 2 133 . 1 1 60 60 GLY CA C 13 44.643 0.20 . 1 . . . . 41 G CA . 18257 2 134 . 1 1 60 60 GLY N N 15 111.437 0.20 . 1 . . . . 41 G N . 18257 2 135 . 1 1 61 61 TRP H H 1 7.41 0.02 . 1 . . . . 42 W HN . 18257 2 136 . 1 1 61 61 TRP CA C 13 57.192 0.20 . 1 . . . . 42 W CA . 18257 2 137 . 1 1 61 61 TRP CB C 13 27.91 0.20 . 1 . . . . 42 W CB . 18257 2 138 . 1 1 61 61 TRP N N 15 121.328 0.20 . 1 . . . . 42 W N . 18257 2 139 . 1 1 62 62 GLU H H 1 9.532 0.02 . 1 . . . . 43 E HN . 18257 2 140 . 1 1 62 62 GLU CA C 13 58.461 0.20 . 1 . . . . 43 E CA . 18257 2 141 . 1 1 62 62 GLU CB C 13 25.725 0.20 . 1 . . . . 43 E CB . 18257 2 142 . 1 1 62 62 GLU N N 15 125.098 0.20 . 1 . . . . 43 E N . 18257 2 143 . 1 1 63 63 THR H H 1 7.231 0.02 . 1 . . . . 44 T HN . 18257 2 144 . 1 1 63 63 THR CA C 13 62.634 0.20 . 1 . . . . 44 T CA . 18257 2 145 . 1 1 63 63 THR CB C 13 68.27 0.20 . 1 . . . . 44 T CB . 18257 2 146 . 1 1 63 63 THR N N 15 111.029 0.20 . 1 . . . . 44 T N . 18257 2 147 . 1 1 64 64 GLN H H 1 7.847 0.02 . 1 . . . . 45 Q HN . 18257 2 148 . 1 1 64 64 GLN CA C 13 54.983 0.20 . 1 . . . . 45 Q CA . 18257 2 149 . 1 1 64 64 GLN CB C 13 30.121 0.20 . 1 . . . . 45 Q CB . 18257 2 150 . 1 1 64 64 GLN N N 15 119.406 0.20 . 1 . . . . 45 Q N . 18257 2 151 . 1 1 65 65 TRP H H 1 7.538 0.02 . 1 . . . . 46 W HN . 18257 2 152 . 1 1 65 65 TRP CA C 13 54.234 0.20 . 1 . . . . 46 W CA . 18257 2 153 . 1 1 65 65 TRP CB C 13 30.615 0.20 . 1 . . . . 46 W CB . 18257 2 154 . 1 1 65 65 TRP N N 15 122.225 0.20 . 1 . . . . 46 W N . 18257 2 155 . 1 1 66 66 PRO CA C 13 62.325 0.20 . 1 . . . . 47 P CA . 18257 2 156 . 1 1 66 66 PRO CB C 13 28.123 0.20 . 1 . . . . 47 P CB . 18257 2 157 . 1 1 67 67 LEU H H 1 8.751 0.02 . 1 . . . . 48 L HN . 18257 2 158 . 1 1 67 67 LEU CA C 13 52.402 0.20 . 1 . . . . 48 L CA . 18257 2 159 . 1 1 67 67 LEU CB C 13 45.494 0.20 . 1 . . . . 48 L CB . 18257 2 160 . 1 1 67 67 LEU N N 15 124.286 0.20 . 1 . . . . 48 L N . 18257 2 161 . 1 1 68 68 PRO CA C 13 62.276 0.20 . 1 . . . . 49 P CA . 18257 2 162 . 1 1 68 68 PRO CB C 13 31.453 0.20 . 1 . . . . 49 P CB . 18257 2 163 . 1 1 69 69 GLU H H 1 8.891 0.02 . 1 . . . . 50 E HN . 18257 2 164 . 1 1 69 69 GLU CA C 13 60.037 0.20 . 1 . . . . 50 E CA . 18257 2 165 . 1 1 69 69 GLU CB C 13 28.831 0.20 . 1 . . . . 50 E CB . 18257 2 166 . 1 1 69 69 GLU N N 15 125.82 0.20 . 1 . . . . 50 E N . 18257 2 167 . 1 1 70 70 ALA H H 1 8.838 0.02 . 1 . . . . 51 A HN . 18257 2 168 . 1 1 70 70 ALA CA C 13 54.706 0.20 . 1 . . . . 51 A CA . 18257 2 169 . 1 1 70 70 ALA CB C 13 17.702 0.20 . 1 . . . . 51 A CB . 18257 2 170 . 1 1 70 70 ALA N N 15 119.506 0.20 . 1 . . . . 51 A N . 18257 2 171 . 1 1 71 71 SER H H 1 7.35 0.02 . 1 . . . . 52 S HN . 18257 2 172 . 1 1 71 71 SER CA C 13 59.87 0.20 . 1 . . . . 52 S CA . 18257 2 173 . 1 1 71 71 SER CB C 13 62.639 0.20 . 1 . . . . 52 S CB . 18257 2 174 . 1 1 71 71 SER N N 15 111.718 0.20 . 1 . . . . 52 S N . 18257 2 175 . 1 1 72 72 LEU H H 1 7.183 0.02 . 1 . . . . 53 L HN . 18257 2 176 . 1 1 72 72 LEU CA C 13 54.776 0.20 . 1 . . . . 53 L CA . 18257 2 177 . 1 1 72 72 LEU CB C 13 41.883 0.20 . 1 . . . . 53 L CB . 18257 2 178 . 1 1 73 73 ALA H H 1 7.606 0.02 . 1 . . . . 54 A HN . 18257 2 179 . 1 1 73 73 ALA CA C 13 56.555 0.20 . 1 . . . . 54 A CA . 18257 2 180 . 1 1 73 73 ALA CB C 13 14.924 0.20 . 1 . . . . 54 A CB . 18257 2 181 . 1 1 73 73 ALA N N 15 122.363 0.20 . 1 . . . . 54 A N . 18257 2 182 . 1 1 74 74 PRO CA C 13 64.762 0.20 . 1 . . . . 55 P CA . 18257 2 183 . 1 1 74 74 PRO CB C 13 30.286 0.20 . 1 . . . . 55 P CB . 18257 2 184 . 1 1 75 75 LEU H H 1 7.377 0.02 . 1 . . . . 56 L HN . 18257 2 185 . 1 1 75 75 LEU CA C 13 56.225 0.20 . 1 . . . . 56 L CA . 18257 2 186 . 1 1 75 75 LEU CB C 13 39.724 0.20 . 1 . . . . 56 L CB . 18257 2 187 . 1 1 75 75 LEU N N 15 117.864 0.20 . 1 . . . . 56 L N . 18257 2 188 . 1 1 76 76 VAL H H 1 7.96 0.02 . 1 . . . . 57 V HN . 18257 2 189 . 1 1 76 76 VAL CA C 13 66.308 0.20 . 1 . . . . 57 V CA . 18257 2 190 . 1 1 76 76 VAL CB C 13 31.31 0.20 . 1 . . . . 57 V CB . 18257 2 191 . 1 1 76 76 VAL N N 15 120.445 0.20 . 1 . . . . 57 V N . 18257 2 192 . 1 1 77 77 THR H H 1 7.206 0.02 . 1 . . . . 58 T HN . 18257 2 193 . 1 1 77 77 THR CA C 13 64.472 0.20 . 1 . . . . 58 T CA . 18257 2 194 . 1 1 77 77 THR CB C 13 68.023 0.20 . 1 . . . . 58 T CB . 18257 2 195 . 1 1 77 77 THR N N 15 111.389 0.20 . 1 . . . . 58 T N . 18257 2 196 . 1 1 78 78 ALA H H 1 7.546 0.02 . 1 . . . . 59 A HN . 18257 2 197 . 1 1 78 78 ALA CA C 13 55.452 0.20 . 1 . . . . 59 A CA . 18257 2 198 . 1 1 78 78 ALA CB C 13 18.172 0.20 . 1 . . . . 59 A CB . 18257 2 199 . 1 1 78 78 ALA N N 15 113.434 0.20 . 1 . . . . 59 A N . 18257 2 200 . 1 1 79 79 PHE H H 1 8.504 0.02 . 1 . . . . 60 F HN . 18257 2 201 . 1 1 79 79 PHE CA C 13 61.06 0.20 . 1 . . . . 60 F CA . 18257 2 202 . 1 1 79 79 PHE CB C 13 39.622 0.20 . 1 . . . . 60 F CB . 18257 2 203 . 1 1 79 79 PHE N N 15 115.208 0.20 . 1 . . . . 60 F N . 18257 2 204 . 1 1 80 80 GLN H H 1 7.153 0.02 . 1 . . . . 61 Q HN . 18257 2 205 . 1 1 80 80 GLN CA C 13 55.562 0.20 . 1 . . . . 61 Q CA . 18257 2 206 . 1 1 80 80 GLN CB C 13 28.434 0.20 . 1 . . . . 61 Q CB . 18257 2 207 . 1 1 80 80 GLN N N 15 113.794 0.20 . 1 . . . . 61 Q N . 18257 2 208 . 1 1 81 81 THR H H 1 7.525 0.02 . 1 . . . . 62 T HN . 18257 2 209 . 1 1 81 81 THR CA C 13 64.126 0.20 . 1 . . . . 62 T CA . 18257 2 210 . 1 1 81 81 THR CB C 13 68.969 0.20 . 1 . . . . 62 T CB . 18257 2 211 . 1 1 81 81 THR N N 15 119.244 0.20 . 1 . . . . 62 T N . 18257 2 212 . 1 1 82 82 GLN H H 1 8.753 0.02 . 1 . . . . 63 Q HN . 18257 2 213 . 1 1 82 82 GLN CA C 13 55.535 0.20 . 1 . . . . 63 Q CA . 18257 2 214 . 1 1 82 82 GLN CB C 13 28.532 0.20 . 1 . . . . 63 Q CB . 18257 2 215 . 1 1 82 82 GLN N N 15 127.289 0.20 . 1 . . . . 63 Q N . 18257 2 216 . 1 1 83 83 CYS H H 1 8.389 0.02 . 1 . . . . 64 C HN . 18257 2 217 . 1 1 83 83 CYS CA C 13 56.695 0.20 . 1 . . . . 64 C CA . 18257 2 218 . 1 1 83 83 CYS CB C 13 29.154 0.20 . 1 . . . . 64 C CB . 18257 2 219 . 1 1 83 83 CYS N N 15 121.213 0.20 . 1 . . . . 64 C N . 18257 2 220 . 1 1 84 84 GLU H H 1 8.782 0.02 . 1 . . . . 65 E HN . 18257 2 221 . 1 1 84 84 GLU CA C 13 58.656 0.20 . 1 . . . . 65 E CA . 18257 2 222 . 1 1 84 84 GLU CB C 13 29.018 0.20 . 1 . . . . 65 E CB . 18257 2 223 . 1 1 84 84 GLU N N 15 124.519 0.20 . 1 . . . . 65 E N . 18257 2 224 . 1 1 85 85 GLU H H 1 7.955 0.02 . 1 . . . . 66 E HN . 18257 2 225 . 1 1 85 85 GLU CA C 13 55.59 0.20 . 1 . . . . 66 E CA . 18257 2 226 . 1 1 85 85 GLU CB C 13 30.776 0.20 . 1 . . . . 66 E CB . 18257 2 227 . 1 1 85 85 GLU N N 15 122.811 0.20 . 1 . . . . 66 E N . 18257 2 228 . 1 1 86 86 THR H H 1 8.707 0.02 . 1 . . . . 67 T HN . 18257 2 229 . 1 1 86 86 THR CA C 13 61.281 0.20 . 1 . . . . 67 T CA . 18257 2 230 . 1 1 86 86 THR CB C 13 70.259 0.20 . 1 . . . . 67 T CB . 18257 2 231 . 1 1 86 86 THR N N 15 119.969 0.20 . 1 . . . . 67 T N . 18257 2 232 . 1 1 87 87 HIS H H 1 8.54 0.02 . 1 . . . . 68 H HN . 18257 2 233 . 1 1 87 87 HIS CA C 13 60.783 0.20 . 1 . . . . 68 H CA . 18257 2 234 . 1 1 87 87 HIS CB C 13 28.906 0.20 . 1 . . . . 68 H CB . 18257 2 235 . 1 1 87 87 HIS N N 15 119.072 0.20 . 1 . . . . 68 H N . 18257 2 236 . 1 1 88 88 ALA H H 1 8.796 0.02 . 1 . . . . 69 A HN . 18257 2 237 . 1 1 88 88 ALA CA C 13 55.037 0.20 . 1 . . . . 69 A CA . 18257 2 238 . 1 1 88 88 ALA CB C 13 17.756 0.20 . 1 . . . . 69 A CB . 18257 2 239 . 1 1 88 88 ALA N N 15 119.629 0.20 . 1 . . . . 69 A N . 18257 2 240 . 1 1 89 89 GLN H H 1 8.017 0.02 . 1 . . . . 70 Q HN . 18257 2 241 . 1 1 89 89 GLN CB C 13 28.249 0.20 . 1 . . . . 70 Q CB . 18257 2 242 . 1 1 89 89 GLN N N 15 119.561 0.20 . 1 . . . . 70 Q N . 18257 2 243 . 1 1 90 90 ALA H H 1 8.383 0.02 . 1 . . . . 71 A HN . 18257 2 244 . 1 1 90 90 ALA CA C 13 54.607 0.20 . 1 . . . . 71 A CA . 18257 2 245 . 1 1 90 90 ALA CB C 13 17.008 0.20 . 1 . . . . 71 A CB . 18257 2 246 . 1 1 90 90 ALA N N 15 125.063 0.20 . 1 . . . . 71 A N . 18257 2 247 . 1 1 91 91 TRP H H 1 8.805 0.02 . 1 . . . . 72 W HN . 18257 2 248 . 1 1 91 91 TRP CA C 13 60.424 0.20 . 1 . . . . 72 W CA . 18257 2 249 . 1 1 91 91 TRP CB C 13 28.519 0.20 . 1 . . . . 72 W CB . 18257 2 250 . 1 1 91 91 TRP N N 15 118.529 0.20 . 1 . . . . 72 W N . 18257 2 251 . 1 1 92 92 GLN H H 1 7.766 0.02 . 1 . . . . 73 Q HN . 18257 2 252 . 1 1 92 92 GLN CA C 13 58.047 0.20 . 1 . . . . 73 Q CA . 18257 2 253 . 1 1 92 92 GLN CB C 13 27.496 0.20 . 1 . . . . 73 Q CB . 18257 2 254 . 1 1 92 92 GLN N N 15 116.084 0.20 . 1 . . . . 73 Q N . 18257 2 255 . 1 1 93 93 ARG H H 1 7.413 0.02 . 1 . . . . 74 R HN . 18257 2 256 . 1 1 93 93 ARG CB C 13 29.466 0.20 . 1 . . . . 74 R CB . 18257 2 257 . 1 1 93 93 ARG N N 15 114.373 0.20 . 1 . . . . 74 R N . 18257 2 258 . 1 1 94 94 LEU H H 1 7.317 0.02 . 1 . . . . 75 L HN . 18257 2 259 . 1 1 94 94 LEU CB C 13 44.764 0.20 . 1 . . . . 75 L CB . 18257 2 260 . 1 1 94 94 LEU N N 15 121.613 0.20 . 1 . . . . 75 L N . 18257 2 261 . 1 1 95 95 PHE H H 1 9.305 0.02 . 1 . . . . 76 F HN . 18257 2 262 . 1 1 95 95 PHE CB C 13 36.086 0.20 . 1 . . . . 76 F CB . 18257 2 263 . 1 1 95 95 PHE N N 15 119.129 0.20 . 1 . . . . 76 F N . 18257 2 264 . 1 1 98 98 PRO CA C 13 63.61 0.20 . 1 . . . . 79 P CA . 18257 2 265 . 1 1 98 98 PRO CB C 13 33.166 0.20 . 1 . . . . 79 P CB . 18257 2 266 . 1 1 99 99 TRP H H 1 7.277 0.02 . 1 . . . . 80 W HN . 18257 2 267 . 1 1 99 99 TRP CA C 13 54.748 0.20 . 1 . . . . 80 W CA . 18257 2 268 . 1 1 99 99 TRP CB C 13 35.07 0.20 . 1 . . . . 80 W CB . 18257 2 269 . 1 1 99 99 TRP N N 15 123.491 0.20 . 1 . . . . 80 W N . 18257 2 270 . 1 1 100 100 ALA H H 1 8.352 0.02 . 1 . . . . 81 A HN . 18257 2 271 . 1 1 100 100 ALA CA C 13 52.372 0.20 . 1 . . . . 81 A CA . 18257 2 272 . 1 1 100 100 ALA CB C 13 17.492 0.20 . 1 . . . . 81 A CB . 18257 2 273 . 1 1 100 100 ALA N N 15 123.467 0.20 . 1 . . . . 81 A N . 18257 2 274 . 1 1 101 101 LEU H H 1 8.557 0.02 . 1 . . . . 82 L HN . 18257 2 275 . 1 1 101 101 LEU CB C 13 38.985 0.20 . 1 . . . . 82 L CB . 18257 2 276 . 1 1 101 101 LEU N N 15 123.384 0.20 . 1 . . . . 82 L N . 18257 2 277 . 1 1 102 102 PRO CA C 13 64.132 0.20 . 1 . . . . 83 P CA . 18257 2 278 . 1 1 102 102 PRO CB C 13 31.452 0.20 . 1 . . . . 83 P CB . 18257 2 279 . 1 1 103 103 SER H H 1 8.272 0.02 . 1 . . . . 84 S HN . 18257 2 280 . 1 1 103 103 SER CA C 13 54.044 0.20 . 1 . . . . 84 S CA . 18257 2 281 . 1 1 103 103 SER CB C 13 62.808 0.20 . 1 . . . . 84 S CB . 18257 2 282 . 1 1 103 103 SER N N 15 109.996 0.20 . 1 . . . . 84 S N . 18257 2 283 . 1 1 109 109 VAL H H 1 7.273 0.02 . 1 . . . . 90 V HN . 18257 2 284 . 1 1 109 109 VAL CA C 13 65.008 0.20 . 1 . . . . 90 V CA . 18257 2 285 . 1 1 109 109 VAL CB C 13 29.289 0.20 . 1 . . . . 90 V CB . 18257 2 286 . 1 1 109 109 VAL N N 15 121.446 0.20 . 1 . . . . 90 V N . 18257 2 287 . 1 1 110 110 TRP H H 1 7.122 0.02 . 1 . . . . 91 W HN . 18257 2 288 . 1 1 110 110 TRP CA C 13 65.286 0.20 . 1 . . . . 91 W CA . 18257 2 289 . 1 1 110 110 TRP CB C 13 30.905 0.20 . 1 . . . . 91 W CB . 18257 2 290 . 1 1 110 110 TRP N N 15 117.993 0.20 . 1 . . . . 91 W N . 18257 2 291 . 1 1 111 111 LEU H H 1 7.487 0.02 . 1 . . . . 92 L HN . 18257 2 292 . 1 1 111 111 LEU CA C 13 55.921 0.20 . 1 . . . . 92 L CA . 18257 2 293 . 1 1 111 111 LEU CB C 13 40.286 0.20 . 1 . . . . 92 L CB . 18257 2 294 . 1 1 111 111 LEU N N 15 117.798 0.20 . 1 . . . . 92 L N . 18257 2 295 . 1 1 112 112 ASP H H 1 8.415 0.02 . 1 . . . . 93 D HN . 18257 2 296 . 1 1 112 112 ASP CA C 13 53.325 0.20 . 1 . . . . 93 D CA . 18257 2 297 . 1 1 112 112 ASP CB C 13 43.849 0.20 . 1 . . . . 93 D CB . 18257 2 298 . 1 1 112 112 ASP N N 15 122.56 0.20 . 1 . . . . 93 D N . 18257 2 299 . 1 1 113 113 ARG H H 1 8.163 0.02 . 1 . . . . 94 R HN . 18257 2 300 . 1 1 113 113 ARG CA C 13 57.964 0.20 . 1 . . . . 94 R CA . 18257 2 301 . 1 1 113 113 ARG CB C 13 29.123 0.20 . 1 . . . . 94 R CB . 18257 2 302 . 1 1 113 113 ARG N N 15 126.578 0.20 . 1 . . . . 94 R N . 18257 2 303 . 1 1 114 114 GLU H H 1 8.814 0.02 . 1 . . . . 95 E HN . 18257 2 304 . 1 1 114 114 GLU CA C 13 55.617 0.20 . 1 . . . . 95 E CA . 18257 2 305 . 1 1 114 114 GLU CB C 13 29.042 0.20 . 1 . . . . 95 E CB . 18257 2 306 . 1 1 114 114 GLU N N 15 117.568 0.20 . 1 . . . . 95 E N . 18257 2 307 . 1 1 115 115 SER H H 1 8.398 0.02 . 1 . . . . 96 S HN . 18257 2 308 . 1 1 115 115 SER CA C 13 58.212 0.20 . 1 . . . . 96 S CA . 18257 2 309 . 1 1 115 115 SER CB C 13 61.444 0.20 . 1 . . . . 96 S CB . 18257 2 310 . 1 1 115 115 SER N N 15 114.291 0.20 . 1 . . . . 96 S N . 18257 2 311 . 1 1 116 116 VAL H H 1 8.219 0.02 . 1 . . . . 97 V HN . 18257 2 312 . 1 1 116 116 VAL N N 15 117.418 0.20 . 1 . . . . 97 V N . 18257 2 313 . 1 1 117 117 LEU H H 1 7.155 0.02 . 1 . . . . 98 L HN . 18257 2 314 . 1 1 117 117 LEU N N 15 119.433 0.20 . 1 . . . . 98 L N . 18257 2 315 . 1 1 119 119 GLY H H 1 8.463 0.02 . 1 . . . . 100 G HN . 18257 2 316 . 1 1 119 119 GLY CA C 13 44.123 0.20 . 1 . . . . 100 G CA . 18257 2 317 . 1 1 119 119 GLY N N 15 109.872 0.20 . 1 . . . . 100 G N . 18257 2 318 . 1 1 120 120 ASP H H 1 10.027 0.02 . 1 . . . . 101 D HN . 18257 2 319 . 1 1 120 120 ASP N N 15 123.485 0.20 . 1 . . . . 101 D N . 18257 2 320 . 1 1 121 121 SER H H 1 9.042 0.02 . 1 . . . . 102 S HN . 18257 2 321 . 1 1 121 121 SER N N 15 119.057 0.20 . 1 . . . . 102 S N . 18257 2 322 . 1 1 122 122 THR H H 1 7.299 0.02 . 1 . . . . 103 T HN . 18257 2 323 . 1 1 122 122 THR CA C 13 66.087 0.20 . 1 . . . . 103 T CA . 18257 2 324 . 1 1 122 122 THR CB C 13 67.222 0.20 . 1 . . . . 103 T CB . 18257 2 325 . 1 1 122 122 THR N N 15 125.636 0.20 . 1 . . . . 103 T N . 18257 2 326 . 1 1 123 123 LEU H H 1 8.05 0.02 . 1 . . . . 104 L HN . 18257 2 327 . 1 1 123 123 LEU CB C 13 39.411 0.20 . 1 . . . . 104 L CB . 18257 2 328 . 1 1 123 123 LEU N N 15 121.075 0.20 . 1 . . . . 104 L N . 18257 2 329 . 1 1 124 124 ALA H H 1 8.115 0.02 . 1 . . . . 105 A HN . 18257 2 330 . 1 1 124 124 ALA CA C 13 54.852 0.20 . 1 . . . . 105 A CA . 18257 2 331 . 1 1 124 124 ALA CB C 13 16.98 0.20 . 1 . . . . 105 A CB . 18257 2 332 . 1 1 124 124 ALA N N 15 123.532 0.20 . 1 . . . . 105 A N . 18257 2 333 . 1 1 125 125 LEU H H 1 7.847 0.02 . 1 . . . . 106 L HN . 18257 2 334 . 1 1 125 125 LEU CA C 13 57.647 0.20 . 1 . . . . 106 L CA . 18257 2 335 . 1 1 125 125 LEU CB C 13 39.22 0.20 . 1 . . . . 106 L CB . 18257 2 336 . 1 1 125 125 LEU N N 15 122.868 0.20 . 1 . . . . 106 L N . 18257 2 337 . 1 1 126 126 ARG H H 1 8.671 0.02 . 1 . . . . 107 R HN . 18257 2 338 . 1 1 126 126 ARG CA C 13 59.626 0.20 . 1 . . . . 107 R CA . 18257 2 339 . 1 1 126 126 ARG CB C 13 30.08 0.20 . 1 . . . . 107 R CB . 18257 2 340 . 1 1 126 126 ARG N N 15 121.664 0.20 . 1 . . . . 107 R N . 18257 2 341 . 1 1 127 127 GLN H H 1 8.452 0.02 . 1 . . . . 108 Q HN . 18257 2 342 . 1 1 127 127 GLN CA C 13 58.492 0.20 . 1 . . . . 108 Q CA . 18257 2 343 . 1 1 127 127 GLN CB C 13 27.141 0.20 . 1 . . . . 108 Q CB . 18257 2 344 . 1 1 127 127 GLN N N 15 119.669 0.20 . 1 . . . . 108 Q N . 18257 2 345 . 1 1 128 128 TRP H H 1 8.065 0.02 . 1 . . . . 109 W HN . 18257 2 346 . 1 1 128 128 TRP CA C 13 61.606 0.20 . 1 . . . . 109 W CA . 18257 2 347 . 1 1 128 128 TRP CB C 13 27.809 0.20 . 1 . . . . 109 W CB . 18257 2 348 . 1 1 128 128 TRP N N 15 123.425 0.20 . 1 . . . . 109 W N . 18257 2 349 . 1 1 129 129 MET H H 1 9.225 0.02 . 1 . . . . 110 M HN . 18257 2 350 . 1 1 129 129 MET CA C 13 59.772 0.20 . 1 . . . . 110 M CA . 18257 2 351 . 1 1 129 129 MET CB C 13 32.758 0.20 . 1 . . . . 110 M CB . 18257 2 352 . 1 1 129 129 MET N N 15 118.088 0.20 . 1 . . . . 110 M N . 18257 2 353 . 1 1 130 130 ARG H H 1 8.076 0.02 . 1 . . . . 111 R HN . 18257 2 354 . 1 1 130 130 ARG CA C 13 58.536 0.20 . 1 . . . . 111 R CA . 18257 2 355 . 1 1 130 130 ARG CB C 13 28.756 0.20 . 1 . . . . 111 R CB . 18257 2 356 . 1 1 130 130 ARG N N 15 119.189 0.20 . 1 . . . . 111 R N . 18257 2 357 . 1 1 131 131 GLU H H 1 8.277 0.02 . 1 . . . . 112 E HN . 18257 2 358 . 1 1 131 131 GLU CA C 13 58.579 0.20 . 1 . . . . 112 E CA . 18257 2 359 . 1 1 131 131 GLU CB C 13 35.96 0.20 . 1 . . . . 112 E CB . 18257 2 360 . 1 1 131 131 GLU N N 15 122.036 0.20 . 1 . . . . 112 E N . 18257 2 361 . 1 1 132 132 LYS H H 1 7.729 0.02 . 1 . . . . 113 K HN . 18257 2 362 . 1 1 132 132 LYS CA C 13 53.979 0.20 . 1 . . . . 113 K CA . 18257 2 363 . 1 1 132 132 LYS CB C 13 31.332 0.20 . 1 . . . . 113 K CB . 18257 2 364 . 1 1 132 132 LYS N N 15 114.374 0.20 . 1 . . . . 113 K N . 18257 2 365 . 1 1 133 133 GLY H H 1 7.811 0.02 . 1 . . . . 114 G HN . 18257 2 366 . 1 1 133 133 GLY CA C 13 46.352 0.20 . 1 . . . . 114 G CA . 18257 2 367 . 1 1 133 133 GLY N N 15 109.375 0.20 . 1 . . . . 114 G N . 18257 2 368 . 1 1 134 134 ILE H H 1 8.253 0.02 . 1 . . . . 115 I HN . 18257 2 369 . 1 1 134 134 ILE CA C 13 60.965 0.20 . 1 . . . . 115 I CA . 18257 2 370 . 1 1 134 134 ILE CB C 13 40.152 0.20 . 1 . . . . 115 I CB . 18257 2 371 . 1 1 134 134 ILE N N 15 122.252 0.20 . 1 . . . . 115 I N . 18257 2 372 . 1 1 135 135 GLN H H 1 8.967 0.02 . 1 . . . . 116 Q HN . 18257 2 373 . 1 1 135 135 GLN CA C 13 53.558 0.20 . 1 . . . . 116 Q CA . 18257 2 374 . 1 1 135 135 GLN CB C 13 30.924 0.20 . 1 . . . . 116 Q CB . 18257 2 375 . 1 1 135 135 GLN N N 15 127.304 0.20 . 1 . . . . 116 Q N . 18257 2 376 . 1 1 136 136 PHE H H 1 8.944 0.02 . 1 . . . . 117 F HN . 18257 2 377 . 1 1 136 136 PHE CA C 13 53.368 0.20 . 1 . . . . 117 F CA . 18257 2 378 . 1 1 136 136 PHE CB C 13 40.268 0.20 . 1 . . . . 117 F CB . 18257 2 379 . 1 1 136 136 PHE N N 15 127.823 0.20 . 1 . . . . 117 F N . 18257 2 380 . 1 1 137 137 GLU H H 1 8.221 0.02 . 1 . . . . 118 E HN . 18257 2 381 . 1 1 137 137 GLU CA C 13 54.562 0.20 . 1 . . . . 118 E CA . 18257 2 382 . 1 1 137 137 GLU CB C 13 26.994 0.20 . 1 . . . . 118 E CB . 18257 2 383 . 1 1 137 137 GLU N N 15 129.294 0.20 . 1 . . . . 118 E N . 18257 2 384 . 1 1 138 138 MET H H 1 7.339 0.02 . 1 . . . . 119 M HN . 18257 2 385 . 1 1 138 138 MET CA C 13 54.647 0.20 . 1 . . . . 119 M CA . 18257 2 386 . 1 1 138 138 MET CB C 13 32.552 0.20 . 1 . . . . 119 M CB . 18257 2 387 . 1 1 138 138 MET N N 15 122.834 0.20 . 1 . . . . 119 M N . 18257 2 388 . 1 1 140 140 GLN H H 1 8.507 0.02 . 1 . . . . 121 Q HN . 18257 2 389 . 1 1 140 140 GLN N N 15 121.952 0.20 . 1 . . . . 121 Q N . 18257 2 390 . 1 1 144 144 GLU H H 1 10.275 0.02 . 1 . . . . 125 E HN . 18257 2 391 . 1 1 144 144 GLU CA C 13 58.667 0.20 . 1 . . . . 125 E CA . 18257 2 392 . 1 1 144 144 GLU CB C 13 28.931 0.20 . 1 . . . . 125 E CB . 18257 2 393 . 1 1 144 144 GLU N N 15 119.528 0.20 . 1 . . . . 125 E N . 18257 2 394 . 1 1 145 145 ASP H H 1 8.399 0.02 . 1 . . . . 126 D HN . 18257 2 395 . 1 1 145 145 ASP CA C 13 52.087 0.20 . 1 . . . . 126 D CA . 18257 2 396 . 1 1 145 145 ASP CB C 13 39.046 0.20 . 1 . . . . 126 D CB . 18257 2 397 . 1 1 145 145 ASP N N 15 114.94 0.20 . 1 . . . . 126 D N . 18257 2 398 . 1 1 146 146 HIS H H 1 6.905 0.02 . 1 . . . . 127 H HN . 18257 2 399 . 1 1 146 146 HIS CA C 13 57.092 0.20 . 1 . . . . 127 H CA . 18257 2 400 . 1 1 146 146 HIS CB C 13 31.417 0.20 . 1 . . . . 127 H CB . 18257 2 401 . 1 1 146 146 HIS N N 15 120.201 0.20 . 1 . . . . 127 H N . 18257 2 402 . 1 1 150 150 LEU H H 1 8.646 0.02 . 1 . . . . 131 L HN . 18257 2 403 . 1 1 150 150 LEU N N 15 121.038 0.20 . 1 . . . . 131 L N . 18257 2 404 . 1 1 153 153 MET H H 1 8.638 0.02 . 1 . . . . 134 M HN . 18257 2 405 . 1 1 153 153 MET CA C 13 52.524 0.20 . 1 . . . . 134 M CA . 18257 2 406 . 1 1 153 153 MET N N 15 123.159 0.20 . 1 . . . . 134 M N . 18257 2 407 . 1 1 154 154 ALA H H 1 8.54 0.02 . 1 . . . . 135 A HN . 18257 2 408 . 1 1 154 154 ALA CB C 13 17.27 0.20 . 1 . . . . 135 A CB . 18257 2 409 . 1 1 154 154 ALA N N 15 123.22 0.20 . 1 . . . . 135 A N . 18257 2 410 . 1 1 155 155 ALA CB C 13 17.188 0.20 . 1 . . . . 136 A CB . 18257 2 411 . 1 1 156 156 TRP H H 1 8.287 0.02 . 1 . . . . 137 W HN . 18257 2 412 . 1 1 156 156 TRP CA C 13 61.458 0.20 . 1 . . . . 137 W CA . 18257 2 413 . 1 1 156 156 TRP CB C 13 27.618 0.20 . 1 . . . . 137 W CB . 18257 2 414 . 1 1 156 156 TRP N N 15 119.391 0.20 . 1 . . . . 137 W N . 18257 2 415 . 1 1 157 157 LEU H H 1 8.979 0.02 . 1 . . . . 138 L HN . 18257 2 416 . 1 1 157 157 LEU CA C 13 57.472 0.20 . 1 . . . . 138 L CA . 18257 2 417 . 1 1 157 157 LEU CB C 13 40.677 0.20 . 1 . . . . 138 L CB . 18257 2 418 . 1 1 157 157 LEU N N 15 120.352 0.20 . 1 . . . . 138 L N . 18257 2 419 . 1 1 158 158 ALA H H 1 8.376 0.02 . 1 . . . . 139 A HN . 18257 2 420 . 1 1 158 158 ALA CA C 13 55.376 0.20 . 1 . . . . 139 A CA . 18257 2 421 . 1 1 158 158 ALA CB C 13 18.378 0.20 . 1 . . . . 139 A CB . 18257 2 422 . 1 1 158 158 ALA N N 15 122.628 0.20 . 1 . . . . 139 A N . 18257 2 423 . 1 1 159 159 GLU H H 1 8.919 0.02 . 1 . . . . 140 E HN . 18257 2 424 . 1 1 159 159 GLU CA C 13 58.142 0.20 . 1 . . . . 140 E CA . 18257 2 425 . 1 1 159 159 GLU CB C 13 28.332 0.20 . 1 . . . . 140 E CB . 18257 2 426 . 1 1 159 159 GLU N N 15 119.618 0.20 . 1 . . . . 140 E N . 18257 2 427 . 1 1 160 160 ASN H H 1 7.106 0.02 . 1 . . . . 141 N HN . 18257 2 428 . 1 1 160 160 ASN CA C 13 53.232 0.20 . 1 . . . . 141 N CA . 18257 2 429 . 1 1 160 160 ASN CB C 13 38.999 0.20 . 1 . . . . 141 N CB . 18257 2 430 . 1 1 160 160 ASN N N 15 115.43 0.20 . 1 . . . . 141 N N . 18257 2 431 . 1 1 161 161 GLY H H 1 7.776 0.02 . 1 . . . . 142 G HN . 18257 2 432 . 1 1 161 161 GLY CA C 13 45.753 0.20 . 1 . . . . 142 G CA . 18257 2 433 . 1 1 161 161 GLY N N 15 108.546 0.20 . 1 . . . . 142 G N . 18257 2 434 . 1 1 162 162 ARG H H 1 7.939 0.02 . 1 . . . . 143 R HN . 18257 2 435 . 1 1 162 162 ARG CA C 13 52.9 0.20 . 1 . . . . 143 R CA . 18257 2 436 . 1 1 162 162 ARG CB C 13 26.131 0.20 . 1 . . . . 143 R CB . 18257 2 437 . 1 1 162 162 ARG N N 15 122.088 0.20 . 1 . . . . 143 R N . 18257 2 438 . 1 1 163 163 GLN H H 1 7.334 0.02 . 1 . . . . 144 Q HN . 18257 2 439 . 1 1 163 163 GLN CA C 13 58.785 0.20 . 1 . . . . 144 Q CA . 18257 2 440 . 1 1 163 163 GLN CB C 13 27.088 0.20 . 1 . . . . 144 Q CB . 18257 2 441 . 1 1 163 163 GLN N N 15 120.685 0.20 . 1 . . . . 144 Q N . 18257 2 442 . 1 1 165 165 GLU CA C 13 60.733 0.20 . 1 . . . . 146 E CA . 18257 2 443 . 1 1 165 165 GLU CB C 13 28.756 0.20 . 1 . . . . 146 E CB . 18257 2 444 . 1 1 166 166 CYS H H 1 7.93 0.02 . 1 . . . . 147 C HN . 18257 2 445 . 1 1 166 166 CYS CA C 13 62.378 0.20 . 1 . . . . 147 C CA . 18257 2 446 . 1 1 166 166 CYS CB C 13 24.869 0.20 . 1 . . . . 147 C CB . 18257 2 447 . 1 1 166 166 CYS N N 15 118.272 0.20 . 1 . . . . 147 C N . 18257 2 448 . 1 1 167 167 GLU H H 1 7.584 0.02 . 1 . . . . 148 E HN . 18257 2 449 . 1 1 167 167 GLU CA C 13 60.179 0.20 . 1 . . . . 148 E CA . 18257 2 450 . 1 1 167 167 GLU CB C 13 28.34 0.20 . 1 . . . . 148 E CB . 18257 2 451 . 1 1 167 167 GLU N N 15 117.025 0.20 . 1 . . . . 148 E N . 18257 2 452 . 1 1 168 168 GLU H H 1 7.979 0.02 . 1 . . . . 149 E HN . 18257 2 453 . 1 1 168 168 GLU CA C 13 58.664 0.20 . 1 . . . . 149 E CA . 18257 2 454 . 1 1 168 168 GLU CB C 13 29.647 0.20 . 1 . . . . 149 E CB . 18257 2 455 . 1 1 168 168 GLU N N 15 118.303 0.20 . 1 . . . . 149 E N . 18257 2 456 . 1 1 169 169 LEU H H 1 7.977 0.02 . 1 . . . . 150 L HN . 18257 2 457 . 1 1 169 169 LEU CA C 13 57.837 0.20 . 1 . . . . 150 L CA . 18257 2 458 . 1 1 169 169 LEU CB C 13 40.035 0.20 . 1 . . . . 150 L CB . 18257 2 459 . 1 1 169 169 LEU N N 15 119.18 0.20 . 1 . . . . 150 L N . 18257 2 460 . 1 1 170 170 LEU H H 1 7.571 0.02 . 1 . . . . 151 L HN . 18257 2 461 . 1 1 170 170 LEU CA C 13 57.53 0.20 . 1 . . . . 151 L CA . 18257 2 462 . 1 1 170 170 LEU CB C 13 39.271 0.20 . 1 . . . . 151 L CB . 18257 2 463 . 1 1 170 170 LEU N N 15 116.665 0.20 . 1 . . . . 151 L N . 18257 2 464 . 1 1 171 171 ALA H H 1 8.911 0.02 . 1 . . . . 152 A HN . 18257 2 465 . 1 1 171 171 ALA CA C 13 54.966 0.20 . 1 . . . . 152 A CA . 18257 2 466 . 1 1 171 171 ALA CB C 13 18.225 0.20 . 1 . . . . 152 A CB . 18257 2 467 . 1 1 171 171 ALA N N 15 120.022 0.20 . 1 . . . . 152 A N . 18257 2 468 . 1 1 172 172 TRP H H 1 8.298 0.02 . 1 . . . . 153 W HN . 18257 2 469 . 1 1 172 172 TRP CB C 13 28.448 0.20 . 1 . . . . 153 W CB . 18257 2 470 . 1 1 172 172 TRP N N 15 112.247 0.20 . 1 . . . . 153 W N . 18257 2 471 . 1 1 173 173 HIS H H 1 7.717 0.02 . 1 . . . . 154 H HN . 18257 2 472 . 1 1 173 173 HIS CA C 13 58.838 0.20 . 1 . . . . 154 H CA . 18257 2 473 . 1 1 173 173 HIS CB C 13 28.361 0.20 . 1 . . . . 154 H CB . 18257 2 474 . 1 1 173 173 HIS N N 15 118.381 0.20 . 1 . . . . 154 H N . 18257 2 475 . 1 1 174 174 LEU H H 1 8.255 0.02 . 1 . . . . 155 L HN . 18257 2 476 . 1 1 174 174 LEU N N 15 117.085 0.20 . 1 . . . . 155 L N . 18257 2 477 . 1 1 175 175 PHE H H 1 8.087 0.02 . 1 . . . . 156 F HN . 18257 2 478 . 1 1 175 175 PHE N N 15 111.025 0.20 . 1 . . . . 156 F N . 18257 2 479 . 1 1 176 176 PRO CA C 13 62.465 0.20 . 1 . . . . 157 P CA . 18257 2 480 . 1 1 176 176 PRO CB C 13 31.3 0.20 . 1 . . . . 157 P CB . 18257 2 481 . 1 1 177 177 TRP H H 1 8.485 0.02 . 1 . . . . 158 W HN . 18257 2 482 . 1 1 177 177 TRP CA C 13 58.287 0.20 . 1 . . . . 158 W CA . 18257 2 483 . 1 1 177 177 TRP CB C 13 29.963 0.20 . 1 . . . . 158 W CB . 18257 2 484 . 1 1 177 177 TRP N N 15 122.295 0.20 . 1 . . . . 158 W N . 18257 2 485 . 1 1 178 178 SER H H 1 7.899 0.02 . 1 . . . . 159 S HN . 18257 2 486 . 1 1 178 178 SER CA C 13 62.683 0.20 . 1 . . . . 159 S CA . 18257 2 487 . 1 1 178 178 SER CB C 13 60.585 0.20 . 1 . . . . 159 S CB . 18257 2 488 . 1 1 178 178 SER N N 15 118.716 0.20 . 1 . . . . 159 S N . 18257 2 489 . 1 1 179 179 THR H H 1 7.501 0.02 . 1 . . . . 160 T HN . 18257 2 490 . 1 1 179 179 THR CA C 13 65.798 0.20 . 1 . . . . 160 T CA . 18257 2 491 . 1 1 179 179 THR CB C 13 66.978 0.20 . 1 . . . . 160 T CB . 18257 2 492 . 1 1 179 179 THR N N 15 118.92 0.20 . 1 . . . . 160 T N . 18257 2 493 . 1 1 180 180 ARG H H 1 7.253 0.02 . 1 . . . . 161 R HN . 18257 2 494 . 1 1 180 180 ARG CA C 13 57.298 0.20 . 1 . . . . 161 R CA . 18257 2 495 . 1 1 180 180 ARG CB C 13 28.333 0.20 . 1 . . . . 161 R CB . 18257 2 496 . 1 1 180 180 ARG N N 15 122.308 0.20 . 1 . . . . 161 R N . 18257 2 497 . 1 1 181 181 PHE H H 1 7.163 0.02 . 1 . . . . 162 F HN . 18257 2 498 . 1 1 181 181 PHE CA C 13 59.015 0.20 . 1 . . . . 162 F CA . 18257 2 499 . 1 1 181 181 PHE CB C 13 37.991 0.20 . 1 . . . . 162 F CB . 18257 2 500 . 1 1 181 181 PHE N N 15 116.369 0.20 . 1 . . . . 162 F N . 18257 2 501 . 1 1 182 182 LEU H H 1 7.898 0.02 . 1 . . . . 163 L HN . 18257 2 502 . 1 1 182 182 LEU CA C 13 56.745 0.20 . 1 . . . . 163 L CA . 18257 2 503 . 1 1 182 182 LEU CB C 13 40.599 0.20 . 1 . . . . 163 L CB . 18257 2 504 . 1 1 182 182 LEU N N 15 119.797 0.20 . 1 . . . . 163 L N . 18257 2 505 . 1 1 183 183 ASP H H 1 8.458 0.02 . 1 . . . . 164 D HN . 18257 2 506 . 1 1 183 183 ASP CA C 13 57.385 0.20 . 1 . . . . 164 D CA . 18257 2 507 . 1 1 183 183 ASP CB C 13 39.661 0.20 . 1 . . . . 164 D CB . 18257 2 508 . 1 1 183 183 ASP N N 15 120.403 0.20 . 1 . . . . 164 D N . 18257 2 509 . 1 1 184 184 VAL H H 1 7.564 0.02 . 1 . . . . 165 V HN . 18257 2 510 . 1 1 184 184 VAL CA C 13 65.825 0.20 . 1 . . . . 165 V CA . 18257 2 511 . 1 1 184 184 VAL CB C 13 30.737 0.20 . 1 . . . . 165 V CB . 18257 2 512 . 1 1 184 184 VAL N N 15 120.79 0.20 . 1 . . . . 165 V N . 18257 2 513 . 1 1 185 185 PHE H H 1 8.598 0.02 . 1 . . . . 166 F HN . 18257 2 514 . 1 1 185 185 PHE CA C 13 57.968 0.20 . 1 . . . . 166 F CA . 18257 2 515 . 1 1 185 185 PHE CB C 13 39.217 0.20 . 1 . . . . 166 F CB . 18257 2 516 . 1 1 185 185 PHE N N 15 121.626 0.20 . 1 . . . . 166 F N . 18257 2 517 . 1 1 186 186 ILE H H 1 8.842 0.02 . 1 . . . . 167 I HN . 18257 2 518 . 1 1 186 186 ILE CA C 13 65.65 0.20 . 1 . . . . 167 I CA . 18257 2 519 . 1 1 186 186 ILE CB C 13 38.521 0.20 . 1 . . . . 167 I CB . 18257 2 520 . 1 1 186 186 ILE N N 15 117.519 0.20 . 1 . . . . 167 I N . 18257 2 521 . 1 1 187 187 GLU H H 1 7.088 0.02 . 1 . . . . 168 E HN . 18257 2 522 . 1 1 187 187 GLU CA C 13 58.315 0.20 . 1 . . . . 168 E CA . 18257 2 523 . 1 1 187 187 GLU CB C 13 28.915 0.20 . 1 . . . . 168 E CB . 18257 2 524 . 1 1 187 187 GLU N N 15 117.907 0.20 . 1 . . . . 168 E N . 18257 2 525 . 1 1 188 188 LYS H H 1 7.821 0.02 . 1 . . . . 169 K HN . 18257 2 526 . 1 1 188 188 LYS CA C 13 54.241 0.20 . 1 . . . . 169 K CA . 18257 2 527 . 1 1 188 188 LYS CB C 13 32.293 0.20 . 1 . . . . 169 K CB . 18257 2 528 . 1 1 188 188 LYS N N 15 114.823 0.20 . 1 . . . . 169 K N . 18257 2 529 . 1 1 189 189 ALA H H 1 7.891 0.02 . 1 . . . . 170 A HN . 18257 2 530 . 1 1 189 189 ALA CA C 13 55.085 0.20 . 1 . . . . 170 A CA . 18257 2 531 . 1 1 189 189 ALA CB C 13 16.602 0.20 . 1 . . . . 170 A CB . 18257 2 532 . 1 1 189 189 ALA N N 15 123.139 0.20 . 1 . . . . 170 A N . 18257 2 533 . 1 1 190 190 GLU H H 1 8.884 0.02 . 1 . . . . 171 E HN . 18257 2 534 . 1 1 190 190 GLU CA C 13 57.676 0.20 . 1 . . . . 171 E CA . 18257 2 535 . 1 1 190 190 GLU CB C 13 27.11 0.20 . 1 . . . . 171 E CB . 18257 2 536 . 1 1 190 190 GLU N N 15 110.7 0.20 . 1 . . . . 171 E N . 18257 2 537 . 1 1 191 191 HIS H H 1 7.446 0.02 . 1 . . . . 172 H HN . 18257 2 538 . 1 1 191 191 HIS CA C 13 54.952 0.20 . 1 . . . . 172 H CA . 18257 2 539 . 1 1 191 191 HIS CB C 13 33.728 0.20 . 1 . . . . 172 H CB . 18257 2 540 . 1 1 191 191 HIS N N 15 119.625 0.20 . 1 . . . . 172 H N . 18257 2 541 . 1 1 192 192 PRO CA C 13 64.78 0.20 . 1 . . . . 173 P CA . 18257 2 542 . 1 1 192 192 PRO CB C 13 31.141 0.20 . 1 . . . . 173 P CB . 18257 2 543 . 1 1 193 193 PHE H H 1 9.508 0.02 . 1 . . . . 174 F HN . 18257 2 544 . 1 1 193 193 PHE CA C 13 61.315 0.20 . 1 . . . . 174 F CA . 18257 2 545 . 1 1 193 193 PHE CB C 13 39.102 0.20 . 1 . . . . 174 F CB . 18257 2 546 . 1 1 193 193 PHE N N 15 119.839 0.20 . 1 . . . . 174 F N . 18257 2 547 . 1 1 194 194 TYR H H 1 7.079 0.02 . 1 . . . . 175 Y HN . 18257 2 548 . 1 1 194 194 TYR CA C 13 63.642 0.20 . 1 . . . . 175 Y CA . 18257 2 549 . 1 1 194 194 TYR CB C 13 38.494 0.20 . 1 . . . . 175 Y CB . 18257 2 550 . 1 1 194 194 TYR N N 15 114.91 0.20 . 1 . . . . 175 Y N . 18257 2 551 . 1 1 195 195 ARG H H 1 8.771 0.02 . 1 . . . . 176 R HN . 18257 2 552 . 1 1 195 195 ARG CA C 13 60.092 0.20 . 1 . . . . 176 R CA . 18257 2 553 . 1 1 195 195 ARG CB C 13 28.797 0.20 . 1 . . . . 176 R CB . 18257 2 554 . 1 1 195 195 ARG N N 15 121.329 0.20 . 1 . . . . 176 R N . 18257 2 555 . 1 1 196 196 ALA H H 1 7.273 0.02 . 1 . . . . 177 A HN . 18257 2 556 . 1 1 196 196 ALA CA C 13 54.559 0.20 . 1 . . . . 177 A CA . 18257 2 557 . 1 1 196 196 ALA CB C 13 15.086 0.20 . 1 . . . . 177 A CB . 18257 2 558 . 1 1 196 196 ALA N N 15 121.017 0.20 . 1 . . . . 177 A N . 18257 2 559 . 1 1 197 197 LEU H H 1 8.005 0.02 . 1 . . . . 178 L HN . 18257 2 560 . 1 1 197 197 LEU CA C 13 57.66 0.20 . 1 . . . . 178 L CA . 18257 2 561 . 1 1 197 197 LEU CB C 13 41.287 0.20 . 1 . . . . 178 L CB . 18257 2 562 . 1 1 197 197 LEU N N 15 119.893 0.20 . 1 . . . . 178 L N . 18257 2 563 . 1 1 198 198 GLY H H 1 8.474 0.02 . 1 . . . . 179 G HN . 18257 2 564 . 1 1 198 198 GLY CA C 13 47.101 0.20 . 1 . . . . 179 G CA . 18257 2 565 . 1 1 198 198 GLY N N 15 108.14 0.20 . 1 . . . . 179 G N . 18257 2 566 . 1 1 199 199 GLU H H 1 8.461 0.02 . 1 . . . . 180 E HN . 18257 2 567 . 1 1 199 199 GLU CA C 13 53.645 0.20 . 1 . . . . 180 E CA . 18257 2 568 . 1 1 199 199 GLU CB C 13 29.105 0.20 . 1 . . . . 180 E CB . 18257 2 569 . 1 1 199 199 GLU N N 15 111.478 0.20 . 1 . . . . 180 E N . 18257 2 570 . 1 1 200 200 LEU H H 1 9.149 0.02 . 1 . . . . 181 L HN . 18257 2 571 . 1 1 200 200 LEU CA C 13 57.385 0.20 . 1 . . . . 181 L CA . 18257 2 572 . 1 1 200 200 LEU CB C 13 41.629 0.20 . 1 . . . . 181 L CB . 18257 2 573 . 1 1 200 200 LEU N N 15 122.183 0.20 . 1 . . . . 181 L N . 18257 2 574 . 1 1 201 201 ALA H H 1 8.997 0.02 . 1 . . . . 182 A HN . 18257 2 575 . 1 1 201 201 ALA CA C 13 54.707 0.20 . 1 . . . . 182 A CA . 18257 2 576 . 1 1 201 201 ALA CB C 13 17.712 0.20 . 1 . . . . 182 A CB . 18257 2 577 . 1 1 201 201 ALA N N 15 123.934 0.20 . 1 . . . . 182 A N . 18257 2 578 . 1 1 202 202 ARG H H 1 8.988 0.02 . 1 . . . . 183 R HN . 18257 2 579 . 1 1 202 202 ARG CA C 13 59.886 0.20 . 1 . . . . 183 R CA . 18257 2 580 . 1 1 202 202 ARG CB C 13 30.054 0.20 . 1 . . . . 183 R CB . 18257 2 581 . 1 1 202 202 ARG N N 15 121.319 0.20 . 1 . . . . 183 R N . 18257 2 582 . 1 1 203 203 LEU H H 1 8.426 0.02 . 1 . . . . 184 L HN . 18257 2 583 . 1 1 203 203 LEU CA C 13 58.753 0.20 . 1 . . . . 184 L CA . 18257 2 584 . 1 1 203 203 LEU CB C 13 42.131 0.20 . 1 . . . . 184 L CB . 18257 2 585 . 1 1 203 203 LEU N N 15 118.244 0.20 . 1 . . . . 184 L N . 18257 2 586 . 1 1 204 204 THR H H 1 7.98 0.02 . 1 . . . . 185 T HN . 18257 2 587 . 1 1 204 204 THR CA C 13 66.262 0.20 . 1 . . . . 185 T CA . 18257 2 588 . 1 1 204 204 THR CB C 13 67.464 0.20 . 1 . . . . 185 T CB . 18257 2 589 . 1 1 204 204 THR N N 15 115.96 0.20 . 1 . . . . 185 T N . 18257 2 590 . 1 1 205 205 LEU H H 1 8.609 0.02 . 1 . . . . 186 L HN . 18257 2 591 . 1 1 205 205 LEU CA C 13 58.789 0.20 . 1 . . . . 186 L CA . 18257 2 592 . 1 1 205 205 LEU CB C 13 37.685 0.20 . 1 . . . . 186 L CB . 18257 2 593 . 1 1 205 205 LEU N N 15 121.694 0.20 . 1 . . . . 186 L N . 18257 2 594 . 1 1 206 206 ALA H H 1 7.454 0.02 . 1 . . . . 187 A HN . 18257 2 595 . 1 1 206 206 ALA CA C 13 54.659 0.20 . 1 . . . . 187 A CA . 18257 2 596 . 1 1 206 206 ALA CB C 13 17.096 0.20 . 1 . . . . 187 A CB . 18257 2 597 . 1 1 206 206 ALA N N 15 121.092 0.20 . 1 . . . . 187 A N . 18257 2 598 . 1 1 207 207 GLN H H 1 7.147 0.02 . 1 . . . . 188 Q HN . 18257 2 599 . 1 1 207 207 GLN CA C 13 58.195 0.20 . 1 . . . . 188 Q CA . 18257 2 600 . 1 1 207 207 GLN CB C 13 26.907 0.20 . 1 . . . . 188 Q CB . 18257 2 601 . 1 1 207 207 GLN N N 15 119.797 0.20 . 1 . . . . 188 Q N . 18257 2 602 . 1 1 208 208 TRP H H 1 7.87 0.02 . 1 . . . . 189 W HN . 18257 2 603 . 1 1 208 208 TRP CB C 13 28.574 0.20 . 1 . . . . 189 W CB . 18257 2 604 . 1 1 208 208 TRP N N 15 122.314 0.20 . 1 . . . . 189 W N . 18257 2 605 . 1 1 209 209 GLN H H 1 8.487 0.02 . 1 . . . . 190 Q HN . 18257 2 606 . 1 1 209 209 GLN CA C 13 58.841 0.20 . 1 . . . . 190 Q CA . 18257 2 607 . 1 1 210 210 SER H H 1 7.433 0.02 . 1 . . . . 191 S HN . 18257 2 608 . 1 1 210 210 SER CA C 13 60.056 0.20 . 1 . . . . 191 S CA . 18257 2 609 . 1 1 210 210 SER CB C 13 62.77 0.20 . 1 . . . . 191 S CB . 18257 2 610 . 1 1 211 211 GLN H H 1 7.368 0.02 . 1 . . . . 192 Q HN . 18257 2 611 . 1 1 211 211 GLN CA C 13 54.728 0.20 . 1 . . . . 192 Q CA . 18257 2 612 . 1 1 211 211 GLN CB C 13 29.599 0.20 . 1 . . . . 192 Q CB . 18257 2 613 . 1 1 211 211 GLN N N 15 119.431 0.20 . 1 . . . . 192 Q N . 18257 2 614 . 1 1 212 212 LEU H H 1 7.246 0.02 . 1 . . . . 193 L HN . 18257 2 615 . 1 1 212 212 LEU CA C 13 55.792 0.20 . 1 . . . . 193 L CA . 18257 2 616 . 1 1 212 212 LEU CB C 13 42.564 0.20 . 1 . . . . 193 L CB . 18257 2 617 . 1 1 212 212 LEU N N 15 120.653 0.20 . 1 . . . . 193 L N . 18257 2 618 . 1 1 213 213 LEU H H 1 10.253 0.02 . 1 . . . . 194 L HN . 18257 2 619 . 1 1 213 213 LEU CA C 13 55.366 0.20 . 1 . . . . 194 L CA . 18257 2 620 . 1 1 213 213 LEU CB C 13 42.141 0.20 . 1 . . . . 194 L CB . 18257 2 621 . 1 1 213 213 LEU N N 15 125.049 0.20 . 1 . . . . 194 L N . 18257 2 622 . 1 1 214 214 ILE H H 1 7.911 0.02 . 1 . . . . 195 I HN . 18257 2 623 . 1 1 214 214 ILE N N 15 110.91 0.20 . 1 . . . . 195 I N . 18257 2 624 . 1 1 215 215 PRO CA C 13 61.779 0.20 . 1 . . . . 196 P CA . 18257 2 625 . 1 1 215 215 PRO CB C 13 31.294 0.20 . 1 . . . . 196 P CB . 18257 2 626 . 1 1 216 216 VAL H H 1 8.176 0.02 . 1 . . . . 197 V HN . 18257 2 627 . 1 1 216 216 VAL CA C 13 62.364 0.20 . 1 . . . . 197 V CA . 18257 2 628 . 1 1 216 216 VAL N N 15 121.652 0.20 . 1 . . . . 197 V N . 18257 2 629 . 1 1 217 217 ALA H H 1 8.178 0.02 . 1 . . . . 198 A HN . 18257 2 630 . 1 1 217 217 ALA CA C 13 51.806 0.20 . 1 . . . . 198 A CA . 18257 2 631 . 1 1 217 217 ALA CB C 13 18.211 0.20 . 1 . . . . 198 A CB . 18257 2 632 . 1 1 217 217 ALA N N 15 116.845 0.20 . 1 . . . . 198 A N . 18257 2 633 . 1 1 218 218 VAL H H 1 8.092 0.02 . 1 . . . . 199 V HN . 18257 2 634 . 1 1 218 218 VAL CA C 13 60.512 0.20 . 1 . . . . 199 V CA . 18257 2 635 . 1 1 218 218 VAL CB C 13 30.449 0.20 . 1 . . . . 199 V CB . 18257 2 636 . 1 1 218 218 VAL N N 15 123.458 0.20 . 1 . . . . 199 V N . 18257 2 637 . 1 1 219 219 LYS H H 1 7.895 0.02 . 1 . . . . 200 K HN . 18257 2 638 . 1 1 219 219 LYS CA C 13 52.276 0.20 . 1 . . . . 200 K CA . 18257 2 639 . 1 1 219 219 LYS CB C 13 34.561 0.20 . 1 . . . . 200 K CB . 18257 2 640 . 1 1 219 219 LYS N N 15 127.404 0.20 . 1 . . . . 200 K N . 18257 2 641 . 1 1 220 220 PRO CA C 13 62.32 0.20 . 1 . . . . 201 P CA . 18257 2 642 . 1 1 220 220 PRO CB C 13 30.923 0.20 . 1 . . . . 201 P CB . 18257 2 643 . 1 1 221 221 LEU H H 1 7.787 0.02 . 1 . . . . 202 L HN . 18257 2 644 . 1 1 221 221 LEU CA C 13 52.737 0.20 . 1 . . . . 202 L CA . 18257 2 645 . 1 1 221 221 LEU CB C 13 44.36 0.20 . 1 . . . . 202 L CB . 18257 2 646 . 1 1 221 221 LEU N N 15 119.229 0.20 . 1 . . . . 202 L N . 18257 2 647 . 1 1 222 222 PHE H H 1 8.74 0.02 . 1 . . . . 203 F HN . 18257 2 648 . 1 1 222 222 PHE CA C 13 58.565 0.20 . 1 . . . . 203 F CA . 18257 2 649 . 1 1 222 222 PHE CB C 13 39.679 0.20 . 1 . . . . 203 F CB . 18257 2 650 . 1 1 222 222 PHE N N 15 118.555 0.20 . 1 . . . . 203 F N . 18257 2 651 . 1 1 223 223 ARG H H 1 7.664 0.02 . 1 . . . . 204 R HN . 18257 2 652 . 1 1 223 223 ARG CA C 13 56.317 0.20 . 1 . . . . 204 R CA . 18257 2 653 . 1 1 223 223 ARG CB C 13 31.888 0.20 . 1 . . . . 204 R CB . 18257 2 654 . 1 1 223 223 ARG N N 15 124.999 0.20 . 1 . . . . 204 R N . 18257 2 stop_ save_ save_alternate_conform_chem_shift_list_alone _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode alternate_conform_chem_shift_list_alone _Assigned_chem_shift_list.Entry_ID 18257 _Assigned_chem_shift_list.ID 3 _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 7 '3D NHNCACBCO' . . . 18257 3 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 33 33 ALA C C 13 176.494 0.20 . 1 . . . . 14 A CO . 18257 3 2 . 1 1 33 33 ALA CA C 13 55.624 0.20 . 1 . . . . 14 A CA . 18257 3 3 . 1 1 33 33 ALA CB C 13 16.203 0.20 . 1 . . . . 14 A CB . 18257 3 4 . 1 1 34 34 ARG H H 1 7.841 0.02 . 1 . . . . 15 R HN . 18257 3 5 . 1 1 34 34 ARG C C 13 176.007 0.20 . 1 . . . . 15 R CO . 18257 3 6 . 1 1 34 34 ARG CA C 13 59.326 0.20 . 1 . . . . 15 R CA . 18257 3 7 . 1 1 34 34 ARG CB C 13 28.766 0.20 . 1 . . . . 15 R CB . 18257 3 8 . 1 1 34 34 ARG N N 15 116.429 0.20 . 1 . . . . 15 R N . 18257 3 9 . 1 1 35 35 VAL CA C 13 66.691 0.20 . 1 . . . . 16 V CA . 18257 3 10 . 1 1 35 35 VAL CB C 13 31.286 0.20 . 1 . . . . 16 V CB . 18257 3 11 . 1 1 36 36 LEU H H 1 8.274 0.02 . 1 . . . . 17 L HN . 18257 3 12 . 1 1 36 36 LEU CA C 13 57.41 0.20 . 1 . . . . 17 L CA . 18257 3 13 . 1 1 36 36 LEU CB C 13 42.917 0.20 . 1 . . . . 17 L CB . 18257 3 14 . 1 1 36 36 LEU N N 15 114.357 0.20 . 1 . . . . 17 L N . 18257 3 15 . 1 1 37 37 GLY H H 1 8.847 0.02 . 1 . . . . 18 G HN . 18257 3 16 . 1 1 37 37 GLY C C 13 172.421 0.20 . 1 . . . . 18 G CO . 18257 3 17 . 1 1 37 37 GLY CA C 13 49.087 0.20 . 1 . . . . 18 G CA . 18257 3 18 . 1 1 37 37 GLY N N 15 104.931 0.20 . 1 . . . . 18 G N . 18257 3 19 . 1 1 38 38 ALA CA C 13 54.837 0.20 . 1 . . . . 19 A CA . 18257 3 20 . 1 1 38 38 ALA CB C 13 17.896 0.20 . 1 . . . . 19 A CB . 18257 3 21 . 1 1 39 39 LEU H H 1 7.822 0.02 . 1 . . . . 20 L HN . 18257 3 22 . 1 1 39 39 LEU CA C 13 56.176 0.20 . 1 . . . . 20 L CA . 18257 3 23 . 1 1 39 39 LEU N N 15 115.613 0.20 . 1 . . . . 20 L N . 18257 3 24 . 1 1 42 42 TYR C C 13 168.848 0.20 . 1 . . . . 23 Y CO . 18257 3 25 . 1 1 42 42 TYR CA C 13 55.624 0.20 . 1 . . . . 23 Y CA . 18257 3 26 . 1 1 42 42 TYR CB C 13 39.675 0.20 . 1 . . . . 23 Y CB . 18257 3 27 . 1 1 43 43 ALA H H 1 7.631 0.02 . 1 . . . . 24 A HN . 18257 3 28 . 1 1 43 43 ALA C C 13 175.372 0.20 . 1 . . . . 24 A CO . 18257 3 29 . 1 1 43 43 ALA CA C 13 48.575 0.20 . 1 . . . . 24 A CA . 18257 3 30 . 1 1 43 43 ALA CB C 13 15.888 0.20 . 1 . . . . 24 A CB . 18257 3 31 . 1 1 43 43 ALA N N 15 121.103 0.20 . 1 . . . . 24 A N . 18257 3 32 . 1 1 44 44 PRO C C 13 173.794 0.20 . 1 . . . . 25 P CO . 18257 3 33 . 1 1 44 44 PRO CA C 13 64.643 0.20 . 1 . . . . 25 P CA . 18257 3 34 . 1 1 44 44 PRO CB C 13 29.868 0.20 . 1 . . . . 25 P CB . 18257 3 35 . 1 1 45 45 GLU H H 1 8.358 0.02 . 1 . . . . 26 E HN . 18257 3 36 . 1 1 45 45 GLU C C 13 174.615 0.20 . 1 . . . . 26 E CO . 18257 3 37 . 1 1 45 45 GLU CA C 13 55.033 0.20 . 1 . . . . 26 E CA . 18257 3 38 . 1 1 45 45 GLU CB C 13 28.044 0.20 . 1 . . . . 26 E CB . 18257 3 39 . 1 1 45 45 GLU N N 15 115.714 0.20 . 1 . . . . 26 E N . 18257 3 40 . 1 1 46 46 SER H H 1 7.869 0.02 . 1 . . . . 27 S HN . 18257 3 41 . 1 1 46 46 SER C C 13 171.181 0.20 . 1 . . . . 27 S CO . 18257 3 42 . 1 1 46 46 SER CB C 13 64.8 0.20 . 1 . . . . 27 S CB . 18257 3 43 . 1 1 46 46 SER N N 15 118.877 0.20 . 1 . . . . 27 S N . 18257 3 44 . 1 1 47 47 ALA C C 13 177.37 0.20 . 1 . . . . 28 A CO . 18257 3 45 . 1 1 47 47 ALA CA C 13 54.167 0.20 . 1 . . . . 28 A CA . 18257 3 46 . 1 1 47 47 ALA CB C 13 17.227 0.20 . 1 . . . . 28 A CB . 18257 3 47 . 1 1 48 48 GLU H H 1 8.673 0.02 . 1 . . . . 29 E HN . 18257 3 48 . 1 1 48 48 GLU C C 13 174.653 0.20 . 1 . . . . 29 E CO . 18257 3 49 . 1 1 48 48 GLU CA C 13 59.444 0.20 . 1 . . . . 29 E CA . 18257 3 50 . 1 1 48 48 GLU CB C 13 27.466 0.20 . 1 . . . . 29 E CB . 18257 3 51 . 1 1 48 48 GLU N N 15 114.583 0.20 . 1 . . . . 29 E N . 18257 3 52 . 1 1 49 49 ALA C C 13 175.887 0.20 . 1 . . . . 30 A CO . 18257 3 53 . 1 1 49 49 ALA CA C 13 52.08 0.20 . 1 . . . . 30 A CA . 18257 3 54 . 1 1 49 49 ALA CB C 13 20.574 0.20 . 1 . . . . 30 A CB . 18257 3 55 . 1 1 50 50 ALA H H 1 8.679 0.02 . 1 . . . . 31 A HN . 18257 3 56 . 1 1 50 50 ALA C C 13 175.181 0.20 . 1 . . . . 31 A CO . 18257 3 57 . 1 1 50 50 ALA CA C 13 57.003 0.20 . 1 . . . . 31 A CA . 18257 3 58 . 1 1 50 50 ALA CB C 13 14.628 0.20 . 1 . . . . 31 A CB . 18257 3 59 . 1 1 50 50 ALA N N 15 123.938 0.20 . 1 . . . . 31 A N . 18257 3 60 . 1 1 53 53 VAL C C 13 176.618 0.20 . 1 . . . . 34 V CO . 18257 3 61 . 1 1 53 53 VAL CA C 13 66.179 0.20 . 1 . . . . 34 V CA . 18257 3 62 . 1 1 53 53 VAL CB C 13 30.892 0.20 . 1 . . . . 34 V CB . 18257 3 63 . 1 1 54 54 ALA H H 1 7.414 0.02 . 1 . . . . 35 A HN . 18257 3 64 . 1 1 54 54 ALA C C 13 176.996 0.20 . 1 . . . . 35 A CO . 18257 3 65 . 1 1 54 54 ALA CA C 13 54.64 0.20 . 1 . . . . 35 A CA . 18257 3 66 . 1 1 54 54 ALA CB C 13 16.754 0.20 . 1 . . . . 35 A CB . 18257 3 67 . 1 1 54 54 ALA N N 15 119.816 0.20 . 1 . . . . 35 A N . 18257 3 68 . 1 1 55 55 VAL C C 13 175.488 0.20 . 1 . . . . 36 V CO . 18257 3 69 . 1 1 55 55 VAL CA C 13 65.706 0.20 . 1 . . . . 36 V CA . 18257 3 70 . 1 1 55 55 VAL CB C 13 31.089 0.20 . 1 . . . . 36 V CB . 18257 3 71 . 1 1 56 56 LEU H H 1 7.267 0.02 . 1 . . . . 37 L HN . 18257 3 72 . 1 1 56 56 LEU C C 13 173.994 0.20 . 1 . . . . 37 L CO . 18257 3 73 . 1 1 56 56 LEU CA C 13 55.821 0.20 . 1 . . . . 37 L CA . 18257 3 74 . 1 1 56 56 LEU CB C 13 40.095 0.20 . 1 . . . . 37 L CB . 18257 3 75 . 1 1 56 56 LEU N N 15 116.709 0.20 . 1 . . . . 37 L N . 18257 3 76 . 1 1 57 57 THR H H 1 7.318 0.02 . 1 . . . . 38 T HN . 18257 3 77 . 1 1 57 57 THR C C 13 170.211 0.20 . 1 . . . . 38 T CO . 18257 3 78 . 1 1 57 57 THR CA C 13 60.941 0.20 . 1 . . . . 38 T CA . 18257 3 79 . 1 1 57 57 THR CB C 13 68.738 0.20 . 1 . . . . 38 T CB . 18257 3 80 . 1 1 57 57 THR N N 15 105.162 0.20 . 1 . . . . 38 T N . 18257 3 81 . 1 1 74 74 PRO CA C 13 64.8 0.20 . 1 . . . . 55 P CA . 18257 3 82 . 1 1 74 74 PRO CB C 13 30.183 0.20 . 1 . . . . 55 P CB . 18257 3 83 . 1 1 75 75 LEU H H 1 7.372 0.02 . 1 . . . . 56 L HN . 18257 3 84 . 1 1 75 75 LEU C C 13 175.201 0.20 . 1 . . . . 56 L CO . 18257 3 85 . 1 1 75 75 LEU CB C 13 39.99 0.20 . 1 . . . . 56 L CB . 18257 3 86 . 1 1 75 75 LEU N N 15 117.849 0.20 . 1 . . . . 56 L N . 18257 3 87 . 1 1 76 76 VAL H H 1 7.966 0.02 . 1 . . . . 57 V HN . 18257 3 88 . 1 1 76 76 VAL C C 13 176.91 0.20 . 1 . . . . 57 V CO . 18257 3 89 . 1 1 76 76 VAL CA C 13 66.402 0.20 . 1 . . . . 57 V CA . 18257 3 90 . 1 1 76 76 VAL CB C 13 31.404 0.20 . 1 . . . . 57 V CB . 18257 3 91 . 1 1 76 76 VAL N N 15 120.394 0.20 . 1 . . . . 57 V N . 18257 3 92 . 1 1 77 77 THR H H 1 7.203 0.02 . 1 . . . . 58 T HN . 18257 3 93 . 1 1 77 77 THR C C 13 175.007 0.20 . 1 . . . . 58 T CO . 18257 3 94 . 1 1 77 77 THR CA C 13 64.643 0.20 . 1 . . . . 58 T CA . 18257 3 95 . 1 1 77 77 THR CB C 13 68.187 0.20 . 1 . . . . 58 T CB . 18257 3 96 . 1 1 77 77 THR N N 15 111.065 0.20 . 1 . . . . 58 T N . 18257 3 97 . 1 1 78 78 ALA H H 1 7.577 0.02 . 1 . . . . 59 A HN . 18257 3 98 . 1 1 78 78 ALA C C 13 177.621 0.20 . 1 . . . . 59 A CO . 18257 3 99 . 1 1 78 78 ALA CA C 13 55.427 0.20 . 1 . . . . 59 A CA . 18257 3 100 . 1 1 78 78 ALA CB C 13 18.225 0.20 . 1 . . . . 59 A CB . 18257 3 101 . 1 1 78 78 ALA N N 15 126.984 0.20 . 1 . . . . 59 A N . 18257 3 102 . 1 1 79 79 PHE H H 1 8.489 0.02 . 1 . . . . 60 F HN . 18257 3 103 . 1 1 79 79 PHE C C 13 174.316 0.20 . 1 . . . . 60 F CO . 18257 3 104 . 1 1 79 79 PHE CA C 13 61.256 0.20 . 1 . . . . 60 F CA . 18257 3 105 . 1 1 79 79 PHE CB C 13 39.701 0.20 . 1 . . . . 60 F CB . 18257 3 106 . 1 1 79 79 PHE N N 15 115.135 0.20 . 1 . . . . 60 F N . 18257 3 107 . 1 1 80 80 GLN H H 1 7.142 0.02 . 1 . . . . 61 Q HN . 18257 3 108 . 1 1 80 80 GLN C C 13 173.456 0.20 . 1 . . . . 61 Q CO . 18257 3 109 . 1 1 80 80 GLN CA C 13 55.427 0.20 . 1 . . . . 61 Q CA . 18257 3 110 . 1 1 80 80 GLN CB C 13 28.254 0.20 . 1 . . . . 61 Q CB . 18257 3 111 . 1 1 80 80 GLN N N 15 113.941 0.20 . 1 . . . . 61 Q N . 18257 3 112 . 1 1 82 82 GLN C C 13 172.454 0.20 . 1 . . . . 63 Q CO . 18257 3 113 . 1 1 82 82 GLN CA C 13 55.506 0.20 . 1 . . . . 63 Q CA . 18257 3 114 . 1 1 82 82 GLN CB C 13 28.687 0.20 . 1 . . . . 63 Q CB . 18257 3 115 . 1 1 83 83 CYS H H 1 8.392 0.02 . 1 . . . . 64 C HN . 18257 3 116 . 1 1 83 83 CYS C C 13 170.585 0.20 . 1 . . . . 64 C CO . 18257 3 117 . 1 1 83 83 CYS CA C 13 57.081 0.20 . 1 . . . . 64 C CA . 18257 3 118 . 1 1 83 83 CYS CB C 13 29.435 0.20 . 1 . . . . 64 C CB . 18257 3 119 . 1 1 83 83 CYS N N 15 120.967 0.20 . 1 . . . . 64 C N . 18257 3 120 . 1 1 85 85 GLU C C 13 173.971 0.20 . 1 . . . . 66 E CO . 18257 3 121 . 1 1 85 85 GLU CA C 13 55.664 0.20 . 1 . . . . 66 E CA . 18257 3 122 . 1 1 85 85 GLU CB C 13 30.656 0.20 . 1 . . . . 66 E CB . 18257 3 123 . 1 1 86 86 THR H H 1 8.673 0.02 . 1 . . . . 67 T HN . 18257 3 124 . 1 1 86 86 THR C C 13 173.17 0.20 . 1 . . . . 67 T CO . 18257 3 125 . 1 1 86 86 THR CA C 13 61.335 0.20 . 1 . . . . 67 T CA . 18257 3 126 . 1 1 86 86 THR CB C 13 70.235 0.20 . 1 . . . . 67 T CB . 18257 3 127 . 1 1 86 86 THR N N 15 119.945 0.20 . 1 . . . . 67 T N . 18257 3 128 . 1 1 87 87 HIS C C 13 175.112 0.20 . 1 . . . . 68 H CO . 18257 3 129 . 1 1 87 87 HIS CA C 13 60.941 0.20 . 1 . . . . 68 H CA . 18257 3 130 . 1 1 87 87 HIS CB C 13 28.884 0.20 . 1 . . . . 68 H CB . 18257 3 131 . 1 1 88 88 ALA H H 1 8.835 0.02 . 1 . . . . 69 A HN . 18257 3 132 . 1 1 88 88 ALA C C 13 178.411 0.20 . 1 . . . . 69 A CO . 18257 3 133 . 1 1 88 88 ALA CA C 13 54.876 0.20 . 1 . . . . 69 A CA . 18257 3 134 . 1 1 88 88 ALA CB C 13 17.962 0.20 . 1 . . . . 69 A CB . 18257 3 135 . 1 1 88 88 ALA N N 15 119.514 0.20 . 1 . . . . 69 A N . 18257 3 136 . 1 1 89 89 GLN H H 1 8.016 0.02 . 1 . . . . 70 Q HN . 18257 3 137 . 1 1 89 89 GLN C C 13 176.765 0.20 . 1 . . . . 70 Q CO . 18257 3 138 . 1 1 89 89 GLN CA C 13 58.342 0.20 . 1 . . . . 70 Q CA . 18257 3 139 . 1 1 89 89 GLN CB C 13 28.293 0.20 . 1 . . . . 70 Q CB . 18257 3 140 . 1 1 89 89 GLN N N 15 119.969 0.20 . 1 . . . . 70 Q N . 18257 3 141 . 1 1 90 90 ALA H H 1 8.408 0.02 . 1 . . . . 71 A HN . 18257 3 142 . 1 1 90 90 ALA C C 13 175.617 0.20 . 1 . . . . 71 A CO . 18257 3 143 . 1 1 90 90 ALA CB C 13 17.778 0.20 . 1 . . . . 71 A CB . 18257 3 144 . 1 1 90 90 ALA N N 15 124.284 0.20 . 1 . . . . 71 A N . 18257 3 145 . 1 1 91 91 TRP H H 1 8.855 0.02 . 1 . . . . 72 W HN . 18257 3 146 . 1 1 91 91 TRP C C 13 176.125 0.20 . 1 . . . . 72 W CO . 18257 3 147 . 1 1 91 91 TRP CA C 13 62.7 0.20 . 1 . . . . 72 W CA . 18257 3 148 . 1 1 91 91 TRP CB C 13 28.726 0.20 . 1 . . . . 72 W CB . 18257 3 149 . 1 1 91 91 TRP N N 15 119.11 0.20 . 1 . . . . 72 W N . 18257 3 150 . 1 1 92 92 GLN H H 1 7.914 0.02 . 1 . . . . 73 Q HN . 18257 3 151 . 1 1 92 92 GLN C C 13 175.651 0.20 . 1 . . . . 73 Q CO . 18257 3 152 . 1 1 92 92 GLN CA C 13 58.657 0.20 . 1 . . . . 73 Q CA . 18257 3 153 . 1 1 92 92 GLN CB C 13 27.624 0.20 . 1 . . . . 73 Q CB . 18257 3 154 . 1 1 92 92 GLN N N 15 115.575 0.20 . 1 . . . . 73 Q N . 18257 3 155 . 1 1 98 98 PRO C C 13 173.767 0.20 . 1 . . . . 79 P CO . 18257 3 156 . 1 1 98 98 PRO CA C 13 63.516 0.20 . 1 . . . . 79 P CA . 18257 3 157 . 1 1 98 98 PRO CB C 13 32.988 0.20 . 1 . . . . 79 P CB . 18257 3 158 . 1 1 99 99 TRP H H 1 7.156 0.02 . 1 . . . . 80 W HN . 18257 3 159 . 1 1 99 99 TRP C C 13 172.797 0.20 . 1 . . . . 80 W CO . 18257 3 160 . 1 1 99 99 TRP CA C 13 55.919 0.20 . 1 . . . . 80 W CA . 18257 3 161 . 1 1 99 99 TRP CB C 13 27.98 0.20 . 1 . . . . 80 W CB . 18257 3 162 . 1 1 99 99 TRP N N 15 123.34 0.20 . 1 . . . . 80 W N . 18257 3 163 . 1 1 100 100 ALA H H 1 8.326 0.02 . 1 . . . . 81 A HN . 18257 3 164 . 1 1 100 100 ALA C C 13 175.367 0.20 . 1 . . . . 81 A CO . 18257 3 165 . 1 1 100 100 ALA CA C 13 52.338 0.20 . 1 . . . . 81 A CA . 18257 3 166 . 1 1 100 100 ALA CB C 13 17.54 0.20 . 1 . . . . 81 A CB . 18257 3 167 . 1 1 100 100 ALA N N 15 122.939 0.20 . 1 . . . . 81 A N . 18257 3 168 . 1 1 101 101 LEU H H 1 8.518 0.02 . 1 . . . . 82 L HN . 18257 3 169 . 1 1 101 101 LEU C C 13 174.15 0.20 . 1 . . . . 82 L CO . 18257 3 170 . 1 1 101 101 LEU CB C 13 38.889 0.20 . 1 . . . . 82 L CB . 18257 3 171 . 1 1 101 101 LEU N N 15 123.147 0.20 . 1 . . . . 82 L N . 18257 3 172 . 1 1 102 102 PRO C C 13 174.706 0.20 . 1 . . . . 83 P CO . 18257 3 173 . 1 1 102 102 PRO CA C 13 63.6 0.20 . 1 . . . . 83 P CA . 18257 3 174 . 1 1 102 102 PRO CB C 13 31.241 0.20 . 1 . . . . 83 P CB . 18257 3 175 . 1 1 103 103 SER H H 1 8.378 0.02 . 1 . . . . 84 S HN . 18257 3 176 . 1 1 103 103 SER C C 13 169.362 0.20 . 1 . . . . 84 S CO . 18257 3 177 . 1 1 103 103 SER CA C 13 54.019 0.20 . 1 . . . . 84 S CA . 18257 3 178 . 1 1 103 103 SER N N 15 110.241 0.20 . 1 . . . . 84 S N . 18257 3 179 . 1 1 108 108 SER C C 13 173.284 0.20 . 1 . . . . 89 S CO . 18257 3 180 . 1 1 108 108 SER CA C 13 60.852 0.20 . 1 . . . . 89 S CA . 18257 3 181 . 1 1 108 108 SER CB C 13 62.032 0.20 . 1 . . . . 89 S CB . 18257 3 182 . 1 1 109 109 VAL H H 1 7.259 0.02 . 1 . . . . 90 V HN . 18257 3 183 . 1 1 109 109 VAL CA C 13 65.001 0.20 . 1 . . . . 90 V CA . 18257 3 184 . 1 1 109 109 VAL CB C 13 29.72 0.20 . 1 . . . . 90 V CB . 18257 3 185 . 1 1 109 109 VAL N N 15 121.234 0.20 . 1 . . . . 90 V N . 18257 3 186 . 1 1 114 114 GLU C C 13 173.742 0.20 . 1 . . . . 95 E CO . 18257 3 187 . 1 1 114 114 GLU CA C 13 55.657 0.20 . 1 . . . . 95 E CA . 18257 3 188 . 1 1 114 114 GLU CB C 13 28.934 0.20 . 1 . . . . 95 E CB . 18257 3 189 . 1 1 115 115 SER H H 1 8.314 0.02 . 1 . . . . 96 S HN . 18257 3 190 . 1 1 115 115 SER C C 13 170.397 0.20 . 1 . . . . 96 S CO . 18257 3 191 . 1 1 115 115 SER CA C 13 58.277 0.20 . 1 . . . . 96 S CA . 18257 3 192 . 1 1 115 115 SER CB C 13 61.508 0.20 . 1 . . . . 96 S CB . 18257 3 193 . 1 1 115 115 SER N N 15 114.197 0.20 . 1 . . . . 96 S N . 18257 3 194 . 1 1 118 118 PHE C C 13 173.127 0.20 . 1 . . . . 99 F CO . 18257 3 195 . 1 1 118 118 PHE CA C 13 64.127 0.20 . 1 . . . . 99 F CA . 18257 3 196 . 1 1 118 118 PHE CB C 13 32.558 0.20 . 1 . . . . 99 F CB . 18257 3 197 . 1 1 119 119 GLY H H 1 8.504 0.02 . 1 . . . . 100 G HN . 18257 3 198 . 1 1 119 119 GLY C C 13 170.077 0.20 . 1 . . . . 100 G CO . 18257 3 199 . 1 1 119 119 GLY CA C 13 44.217 0.20 . 1 . . . . 100 G CA . 18257 3 200 . 1 1 119 119 GLY N N 15 109.704 0.20 . 1 . . . . 100 G N . 18257 3 201 . 1 1 133 133 GLY C C 13 172.506 0.20 . 1 . . . . 114 G CO . 18257 3 202 . 1 1 133 133 GLY CA C 13 46.312 0.20 . 1 . . . . 114 G CA . 18257 3 203 . 1 1 134 134 ILE H H 1 8.293 0.02 . 1 . . . . 115 I HN . 18257 3 204 . 1 1 134 134 ILE CA C 13 60.984 0.20 . 1 . . . . 115 I CA . 18257 3 205 . 1 1 134 134 ILE N N 15 121.252 0.20 . 1 . . . . 115 I N . 18257 3 206 . 1 1 135 135 GLN C C 13 171.024 0.20 . 1 . . . . 116 Q CO . 18257 3 207 . 1 1 135 135 GLN CA C 13 54.477 0.20 . 1 . . . . 116 Q CA . 18257 3 208 . 1 1 135 135 GLN CB C 13 28.497 0.20 . 1 . . . . 116 Q CB . 18257 3 209 . 1 1 136 136 PHE H H 1 7.79 0.02 . 1 . . . . 117 F HN . 18257 3 210 . 1 1 136 136 PHE C C 13 170.571 0.20 . 1 . . . . 117 F CO . 18257 3 211 . 1 1 136 136 PHE CA C 13 57.374 0.20 . 1 . . . . 117 F CA . 18257 3 212 . 1 1 136 136 PHE CB C 13 40.549 0.20 . 1 . . . . 117 F CB . 18257 3 213 . 1 1 136 136 PHE N N 15 124.888 0.20 . 1 . . . . 117 F N . 18257 3 214 . 1 1 137 137 GLU H H 1 7.82 0.02 . 1 . . . . 118 E HN . 18257 3 215 . 1 1 137 137 GLU C C 13 172.213 0.20 . 1 . . . . 118 E CO . 18257 3 216 . 1 1 137 137 GLU CA C 13 55.831 0.20 . 1 . . . . 118 E CA . 18257 3 217 . 1 1 137 137 GLU CB C 13 30.156 0.20 . 1 . . . . 118 E CB . 18257 3 218 . 1 1 137 137 GLU N N 15 127.192 0.20 . 1 . . . . 118 E N . 18257 3 219 . 1 1 143 143 PRO C C 13 175.639 0.20 . 1 . . . . 124 P CO . 18257 3 220 . 1 1 143 143 PRO CA C 13 62.818 0.20 . 1 . . . . 124 P CA . 18257 3 221 . 1 1 143 143 PRO CB C 13 31.728 0.20 . 1 . . . . 124 P CB . 18257 3 222 . 1 1 144 144 GLU H H 1 10.229 0.02 . 1 . . . . 125 E HN . 18257 3 223 . 1 1 144 144 GLU C C 13 173.173 0.20 . 1 . . . . 125 E CO . 18257 3 224 . 1 1 144 144 GLU CA C 13 58.801 0.20 . 1 . . . . 125 E CA . 18257 3 225 . 1 1 144 144 GLU N N 15 121.313 0.20 . 1 . . . . 125 E N . 18257 3 226 . 1 1 145 145 ASP C C 13 173.062 0.20 . 1 . . . . 126 D CO . 18257 3 227 . 1 1 145 145 ASP CA C 13 52.076 0.20 . 1 . . . . 126 D CA . 18257 3 228 . 1 1 145 145 ASP CB C 13 39.064 0.20 . 1 . . . . 126 D CB . 18257 3 229 . 1 1 146 146 HIS H H 1 6.88 0.02 . 1 . . . . 127 H HN . 18257 3 230 . 1 1 146 146 HIS C C 13 173.955 0.20 . 1 . . . . 127 H CO . 18257 3 231 . 1 1 146 146 HIS CA C 13 56.879 0.20 . 1 . . . . 127 H CA . 18257 3 232 . 1 1 146 146 HIS N N 15 119.839 0.20 . 1 . . . . 127 H N . 18257 3 233 . 1 1 151 151 LEU C C 13 176.487 0.20 . 1 . . . . 132 L CO . 18257 3 234 . 1 1 151 151 LEU CA C 13 57.709 0.20 . 1 . . . . 132 L CA . 18257 3 235 . 1 1 151 151 LEU CB C 13 41.422 0.20 . 1 . . . . 132 L CB . 18257 3 236 . 1 1 152 152 LEU H H 1 7.103 0.02 . 1 . . . . 133 L HN . 18257 3 237 . 1 1 152 152 LEU CB C 13 40.199 0.20 . 1 . . . . 133 L CB . 18257 3 238 . 1 1 152 152 LEU N N 15 119.091 0.20 . 1 . . . . 133 L N . 18257 3 239 . 1 1 153 153 MET C C 13 175.523 0.20 . 1 . . . . 134 M CO . 18257 3 240 . 1 1 153 153 MET CA C 13 58.669 0.20 . 1 . . . . 134 M CA . 18257 3 241 . 1 1 154 154 ALA H H 1 8.497 0.02 . 1 . . . . 135 A HN . 18257 3 242 . 1 1 154 154 ALA C C 13 176.804 0.20 . 1 . . . . 135 A CO . 18257 3 243 . 1 1 154 154 ALA N N 15 122.846 0.20 . 1 . . . . 135 A N . 18257 3 244 . 1 1 155 155 ALA C C 13 176.007 0.20 . 1 . . . . 136 A CO . 18257 3 245 . 1 1 155 155 ALA CA C 13 55.045 0.20 . 1 . . . . 136 A CA . 18257 3 246 . 1 1 155 155 ALA CB C 13 18.279 0.20 . 1 . . . . 136 A CB . 18257 3 247 . 1 1 156 156 TRP H H 1 7.881 0.02 . 1 . . . . 137 W HN . 18257 3 248 . 1 1 156 156 TRP C C 13 176.818 0.20 . 1 . . . . 137 W CO . 18257 3 249 . 1 1 156 156 TRP CA C 13 60.896 0.20 . 1 . . . . 137 W CA . 18257 3 250 . 1 1 156 156 TRP CB C 13 28.061 0.20 . 1 . . . . 137 W CB . 18257 3 251 . 1 1 156 156 TRP N N 15 119.841 0.20 . 1 . . . . 137 W N . 18257 3 252 . 1 1 158 158 ALA C C 13 179.229 0.20 . 1 . . . . 139 A CO . 18257 3 253 . 1 1 158 158 ALA CA C 13 55.046 0.20 . 1 . . . . 139 A CA . 18257 3 254 . 1 1 158 158 ALA CB C 13 18.105 0.20 . 1 . . . . 139 A CB . 18257 3 255 . 1 1 159 159 GLU H H 1 8.525 0.02 . 1 . . . . 140 E HN . 18257 3 256 . 1 1 159 159 GLU C C 13 174.968 0.20 . 1 . . . . 140 E CO . 18257 3 257 . 1 1 159 159 GLU CA C 13 58.277 0.20 . 1 . . . . 140 E CA . 18257 3 258 . 1 1 159 159 GLU CB C 13 28.41 0.20 . 1 . . . . 140 E CB . 18257 3 259 . 1 1 159 159 GLU N N 15 119.721 0.20 . 1 . . . . 140 E N . 18257 3 260 . 1 1 177 177 TRP C C 13 173.601 0.20 . 1 . . . . 158 W CO . 18257 3 261 . 1 1 177 177 TRP CA C 13 54.915 0.20 . 1 . . . . 158 W CA . 18257 3 262 . 1 1 177 177 TRP CB C 13 28.323 0.20 . 1 . . . . 158 W CB . 18257 3 263 . 1 1 178 178 SER H H 1 7.898 0.02 . 1 . . . . 159 S HN . 18257 3 264 . 1 1 178 178 SER C C 13 171.218 0.20 . 1 . . . . 159 S CO . 18257 3 265 . 1 1 178 178 SER CA C 13 62.556 0.20 . 1 . . . . 159 S CA . 18257 3 266 . 1 1 178 178 SER CB C 13 60.634 0.20 . 1 . . . . 159 S CB . 18257 3 267 . 1 1 178 178 SER N N 15 118.787 0.20 . 1 . . . . 159 S N . 18257 3 268 . 1 1 179 179 THR H H 1 7.569 0.02 . 1 . . . . 160 T HN . 18257 3 269 . 1 1 179 179 THR C C 13 171.591 0.20 . 1 . . . . 160 T CO . 18257 3 270 . 1 1 179 179 THR CA C 13 66.136 0.20 . 1 . . . . 160 T CA . 18257 3 271 . 1 1 179 179 THR CB C 13 67.009 0.20 . 1 . . . . 160 T CB . 18257 3 272 . 1 1 179 179 THR N N 15 119.333 0.20 . 1 . . . . 160 T N . 18257 3 273 . 1 1 180 180 ARG C C 13 173.756 0.20 . 1 . . . . 161 R CO . 18257 3 274 . 1 1 180 180 ARG CA C 13 57.491 0.20 . 1 . . . . 161 R CA . 18257 3 275 . 1 1 180 180 ARG CB C 13 28.41 0.20 . 1 . . . . 161 R CB . 18257 3 276 . 1 1 181 181 PHE H H 1 7.118 0.02 . 1 . . . . 162 F HN . 18257 3 277 . 1 1 181 181 PHE C C 13 174.47 0.20 . 1 . . . . 162 F CO . 18257 3 278 . 1 1 181 181 PHE CA C 13 59.034 0.20 . 1 . . . . 162 F CA . 18257 3 279 . 1 1 181 181 PHE CB C 13 37.929 0.20 . 1 . . . . 162 F CB . 18257 3 280 . 1 1 181 181 PHE N N 15 116.522 0.20 . 1 . . . . 162 F N . 18257 3 281 . 1 1 182 182 LEU H H 1 7.895 0.02 . 1 . . . . 163 L HN . 18257 3 282 . 1 1 182 182 LEU C C 13 175.31 0.20 . 1 . . . . 163 L CO . 18257 3 283 . 1 1 182 182 LEU CA C 13 56.879 0.20 . 1 . . . . 163 L CA . 18257 3 284 . 1 1 182 182 LEU CB C 13 40.636 0.20 . 1 . . . . 163 L CB . 18257 3 285 . 1 1 182 182 LEU N N 15 119.803 0.20 . 1 . . . . 163 L N . 18257 3 286 . 1 1 183 183 ASP H H 1 8.526 0.02 . 1 . . . . 164 D HN . 18257 3 287 . 1 1 183 183 ASP C C 13 177.51 0.20 . 1 . . . . 164 D CO . 18257 3 288 . 1 1 183 183 ASP CA C 13 57.258 0.20 . 1 . . . . 164 D CA . 18257 3 289 . 1 1 183 183 ASP CB C 13 39.326 0.20 . 1 . . . . 164 D CB . 18257 3 290 . 1 1 183 183 ASP N N 15 120.51 0.20 . 1 . . . . 164 D N . 18257 3 291 . 1 1 184 184 VAL H H 1 7.614 0.02 . 1 . . . . 165 V HN . 18257 3 292 . 1 1 184 184 VAL C C 13 174.61 0.20 . 1 . . . . 165 V CO . 18257 3 293 . 1 1 184 184 VAL CA C 13 65.816 0.20 . 1 . . . . 165 V CA . 18257 3 294 . 1 1 184 184 VAL CB C 13 30.651 0.20 . 1 . . . . 165 V CB . 18257 3 295 . 1 1 184 184 VAL N N 15 120.793 0.20 . 1 . . . . 165 V N . 18257 3 296 . 1 1 185 185 PHE H H 1 8.542 0.02 . 1 . . . . 166 F HN . 18257 3 297 . 1 1 185 185 PHE C C 13 174.018 0.20 . 1 . . . . 166 F CO . 18257 3 298 . 1 1 185 185 PHE CA C 13 62.468 0.20 . 1 . . . . 166 F CA . 18257 3 299 . 1 1 185 185 PHE N N 15 121.342 0.20 . 1 . . . . 166 F N . 18257 3 300 . 1 1 186 186 ILE H H 1 8.877 0.02 . 1 . . . . 167 I HN . 18257 3 301 . 1 1 186 186 ILE C C 13 175.186 0.20 . 1 . . . . 167 I CO . 18257 3 302 . 1 1 186 186 ILE CA C 13 65.35 0.20 . 1 . . . . 167 I CA . 18257 3 303 . 1 1 186 186 ILE CB C 13 38.234 0.20 . 1 . . . . 167 I CB . 18257 3 304 . 1 1 186 186 ILE N N 15 117.531 0.20 . 1 . . . . 167 I N . 18257 3 305 . 1 1 187 187 GLU H H 1 7.097 0.02 . 1 . . . . 168 E HN . 18257 3 306 . 1 1 187 187 GLU C C 13 175.948 0.20 . 1 . . . . 168 E CO . 18257 3 307 . 1 1 187 187 GLU CA C 13 58.539 0.20 . 1 . . . . 168 E CA . 18257 3 308 . 1 1 187 187 GLU CB C 13 29.05 0.20 . 1 . . . . 168 E CB . 18257 3 309 . 1 1 187 187 GLU N N 15 118 0.20 . 1 . . . . 168 E N . 18257 3 310 . 1 1 188 188 LYS H H 1 7.798 0.02 . 1 . . . . 169 K HN . 18257 3 311 . 1 1 188 188 LYS C C 13 174.793 0.20 . 1 . . . . 169 K CO . 18257 3 312 . 1 1 188 188 LYS CA C 13 54.838 0.20 . 1 . . . . 169 K CA . 18257 3 313 . 1 1 188 188 LYS CB C 13 32.31 0.20 . 1 . . . . 169 K CB . 18257 3 314 . 1 1 188 188 LYS N N 15 114.626 0.20 . 1 . . . . 169 K N . 18257 3 315 . 1 1 189 189 ALA H H 1 7.827 0.02 . 1 . . . . 170 A HN . 18257 3 316 . 1 1 189 189 ALA C C 13 177.085 0.20 . 1 . . . . 170 A CO . 18257 3 317 . 1 1 189 189 ALA CA C 13 55.51 0.20 . 1 . . . . 170 A CA . 18257 3 318 . 1 1 189 189 ALA CB C 13 16.632 0.20 . 1 . . . . 170 A CB . 18257 3 319 . 1 1 189 189 ALA N N 15 119.64 0.20 . 1 . . . . 170 A N . 18257 3 320 . 1 1 190 190 GLU H H 1 8.847 0.02 . 1 . . . . 171 E HN . 18257 3 321 . 1 1 190 190 GLU C C 13 172.219 0.20 . 1 . . . . 171 E CO . 18257 3 322 . 1 1 190 190 GLU CA C 13 57.639 0.20 . 1 . . . . 171 E CA . 18257 3 323 . 1 1 190 190 GLU CB C 13 27.047 0.20 . 1 . . . . 171 E CB . 18257 3 324 . 1 1 190 190 GLU N N 15 110.46 0.20 . 1 . . . . 171 E N . 18257 3 325 . 1 1 191 191 HIS H H 1 7.392 0.02 . 1 . . . . 172 H HN . 18257 3 326 . 1 1 191 191 HIS C C 13 171.909 0.20 . 1 . . . . 172 H CO . 18257 3 327 . 1 1 191 191 HIS CA C 13 54.926 0.20 . 1 . . . . 172 H CA . 18257 3 328 . 1 1 191 191 HIS CB C 13 33.641 0.20 . 1 . . . . 172 H CB . 18257 3 329 . 1 1 191 191 HIS N N 15 119.374 0.20 . 1 . . . . 172 H N . 18257 3 330 . 1 1 192 192 PRO C C 13 176.042 0.20 . 1 . . . . 173 P CO . 18257 3 331 . 1 1 192 192 PRO CA C 13 64.525 0.20 . 1 . . . . 173 P CA . 18257 3 332 . 1 1 192 192 PRO CB C 13 30.845 0.20 . 1 . . . . 173 P CB . 18257 3 333 . 1 1 193 193 PHE H H 1 9.39 0.02 . 1 . . . . 174 F HN . 18257 3 334 . 1 1 193 193 PHE C C 13 173.95 0.20 . 1 . . . . 174 F CO . 18257 3 335 . 1 1 193 193 PHE CA C 13 61.52 0.20 . 1 . . . . 174 F CA . 18257 3 336 . 1 1 193 193 PHE CB C 13 38.983 0.20 . 1 . . . . 174 F CB . 18257 3 337 . 1 1 193 193 PHE N N 15 120.042 0.20 . 1 . . . . 174 F N . 18257 3 338 . 1 1 194 194 TYR H H 1 7.135 0.02 . 1 . . . . 175 Y HN . 18257 3 339 . 1 1 194 194 TYR C C 13 174.613 0.20 . 1 . . . . 175 Y CO . 18257 3 340 . 1 1 194 194 TYR CA C 13 63.663 0.20 . 1 . . . . 175 Y CA . 18257 3 341 . 1 1 194 194 TYR CB C 13 38.316 0.20 . 1 . . . . 175 Y CB . 18257 3 342 . 1 1 194 194 TYR N N 15 115.239 0.20 . 1 . . . . 175 Y N . 18257 3 343 . 1 1 195 195 ARG H H 1 8.77 0.02 . 1 . . . . 176 R HN . 18257 3 344 . 1 1 195 195 ARG C C 13 174.913 0.20 . 1 . . . . 176 R CO . 18257 3 345 . 1 1 195 195 ARG CA C 13 60.268 0.20 . 1 . . . . 176 R CA . 18257 3 346 . 1 1 195 195 ARG CB C 13 28.884 0.20 . 1 . . . . 176 R CB . 18257 3 347 . 1 1 195 195 ARG N N 15 121.682 0.20 . 1 . . . . 176 R N . 18257 3 348 . 1 1 196 196 ALA H H 1 7.223 0.02 . 1 . . . . 177 A HN . 18257 3 349 . 1 1 196 196 ALA N N 15 121.052 0.20 . 1 . . . . 177 A N . 18257 3 350 . 1 1 197 197 LEU C C 13 176.584 0.20 . 1 . . . . 178 L CO . 18257 3 351 . 1 1 197 197 LEU CA C 13 57.513 0.20 . 1 . . . . 178 L CA . 18257 3 352 . 1 1 197 197 LEU CB C 13 41.321 0.20 . 1 . . . . 178 L CB . 18257 3 353 . 1 1 198 198 GLY H H 1 8.464 0.02 . 1 . . . . 179 G HN . 18257 3 354 . 1 1 198 198 GLY C C 13 172.492 0.20 . 1 . . . . 179 G CO . 18257 3 355 . 1 1 198 198 GLY CA C 13 47.33 0.20 . 1 . . . . 179 G CA . 18257 3 356 . 1 1 198 198 GLY N N 15 106.22 0.20 . 1 . . . . 179 G N . 18257 3 357 . 1 1 199 199 GLU H H 1 8.486 0.02 . 1 . . . . 180 E HN . 18257 3 358 . 1 1 199 199 GLU C C 13 176.255 0.20 . 1 . . . . 180 E CO . 18257 3 359 . 1 1 199 199 GLU CA C 13 59.767 0.20 . 1 . . . . 180 E CA . 18257 3 360 . 1 1 199 199 GLU CB C 13 29.05 0.20 . 1 . . . . 180 E CB . 18257 3 361 . 1 1 199 199 GLU N N 15 124.296 0.20 . 1 . . . . 180 E N . 18257 3 362 . 1 1 206 206 ALA C C 13 178.026 0.20 . 1 . . . . 187 A CO . 18257 3 363 . 1 1 206 206 ALA CA C 13 54.508 0.20 . 1 . . . . 187 A CA . 18257 3 364 . 1 1 206 206 ALA CB C 13 16.947 0.20 . 1 . . . . 187 A CB . 18257 3 365 . 1 1 207 207 GLN H H 1 7.223 0.02 . 1 . . . . 188 Q HN . 18257 3 366 . 1 1 207 207 GLN C C 13 177.322 0.20 . 1 . . . . 188 Q CO . 18257 3 367 . 1 1 207 207 GLN CA C 13 58.098 0.20 . 1 . . . . 188 Q CA . 18257 3 368 . 1 1 207 207 GLN CB C 13 26.964 0.20 . 1 . . . . 188 Q CB . 18257 3 369 . 1 1 207 207 GLN N N 15 120.327 0.20 . 1 . . . . 188 Q N . 18257 3 370 . 1 1 209 209 GLN C C 13 175.716 0.20 . 1 . . . . 190 Q CO . 18257 3 371 . 1 1 209 209 GLN CA C 13 58.932 0.20 . 1 . . . . 190 Q CA . 18257 3 372 . 1 1 209 209 GLN CB C 13 26.337 0.20 . 1 . . . . 190 Q CB . 18257 3 373 . 1 1 210 210 SER H H 1 7.496 0.02 . 1 . . . . 191 S HN . 18257 3 374 . 1 1 210 210 SER CB C 13 62.939 0.20 . 1 . . . . 191 S CB . 18257 3 375 . 1 1 210 210 SER N N 15 113.741 0.20 . 1 . . . . 191 S N . 18257 3 stop_ save_ save_alternate_conform_chem_shift_list_complex _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode alternate_conform_chem_shift_list_complex _Assigned_chem_shift_list.Entry_ID 18257 _Assigned_chem_shift_list.ID 4 _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 6 '3D NHNCACB' . . . 18257 4 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 37 37 GLY H H 1 8.646 0.02 . 1 . . . . 18 G HN . 18257 4 2 . 1 1 37 37 GLY CA C 13 49.179 0.20 . 1 . . . . 18 G CA . 18257 4 3 . 1 1 37 37 GLY N N 15 104.987 0.20 . 1 . . . . 18 G N . 18257 4 4 . 1 1 42 42 TYR CA C 13 55.48 0.20 . 1 . . . . 23 Y CA . 18257 4 5 . 1 1 42 42 TYR CB C 13 39.444 0.20 . 1 . . . . 23 Y CB . 18257 4 6 . 1 1 43 43 ALA H H 1 7.662 0.02 . 1 . . . . 24 A HN . 18257 4 7 . 1 1 43 43 ALA CA C 13 48.599 0.20 . 1 . . . . 24 A CA . 18257 4 8 . 1 1 43 43 ALA CB C 13 15.532 0.20 . 1 . . . . 24 A CB . 18257 4 9 . 1 1 43 43 ALA N N 15 121.243 0.20 . 1 . . . . 24 A N . 18257 4 10 . 1 1 44 44 PRO CA C 13 64.925 0.20 . 1 . . . . 25 P CA . 18257 4 11 . 1 1 45 45 GLU H H 1 8.432 0.02 . 1 . . . . 26 E HN . 18257 4 12 . 1 1 45 45 GLU CA C 13 54.897 0.20 . 1 . . . . 26 E CA . 18257 4 13 . 1 1 45 45 GLU CB C 13 28.129 0.20 . 1 . . . . 26 E CB . 18257 4 14 . 1 1 45 45 GLU N N 15 115.804 0.20 . 1 . . . . 26 E N . 18257 4 15 . 1 1 46 46 SER H H 1 7.826 0.02 . 1 . . . . 27 S HN . 18257 4 16 . 1 1 46 46 SER CA C 13 58.295 0.20 . 1 . . . . 27 S CA . 18257 4 17 . 1 1 46 46 SER N N 15 118.758 0.20 . 1 . . . . 27 S N . 18257 4 18 . 1 1 47 47 ALA CB C 13 17.361 0.20 . 1 . . . . 28 A CB . 18257 4 19 . 1 1 48 48 GLU H H 1 8.802 0.02 . 1 . . . . 29 E HN . 18257 4 20 . 1 1 48 48 GLU CA C 13 56.845 0.20 . 1 . . . . 29 E CA . 18257 4 21 . 1 1 48 48 GLU CB C 13 28.129 0.20 . 1 . . . . 29 E CB . 18257 4 22 . 1 1 48 48 GLU N N 15 115.201 0.20 . 1 . . . . 29 E N . 18257 4 23 . 1 1 49 49 ALA CA C 13 52.124 0.20 . 1 . . . . 30 A CA . 18257 4 24 . 1 1 49 49 ALA CB C 13 19.927 0.20 . 1 . . . . 30 A CB . 18257 4 25 . 1 1 50 50 ALA H H 1 8.64 0.02 . 1 . . . . 31 A HN . 18257 4 26 . 1 1 50 50 ALA CA C 13 56.886 0.20 . 1 . . . . 31 A CA . 18257 4 27 . 1 1 50 50 ALA CB C 13 14.869 0.20 . 1 . . . . 31 A CB . 18257 4 28 . 1 1 50 50 ALA N N 15 123.754 0.20 . 1 . . . . 31 A N . 18257 4 29 . 1 1 53 53 VAL CA C 13 65.922 0.20 . 1 . . . . 34 V CA . 18257 4 30 . 1 1 53 53 VAL CB C 13 31.609 0.20 . 1 . . . . 34 V CB . 18257 4 31 . 1 1 54 54 ALA H H 1 7.654 0.02 . 1 . . . . 35 A HN . 18257 4 32 . 1 1 54 54 ALA CA C 13 54.483 0.20 . 1 . . . . 35 A CA . 18257 4 33 . 1 1 54 54 ALA CB C 13 16.526 0.20 . 1 . . . . 35 A CB . 18257 4 34 . 1 1 54 54 ALA N N 15 120.03 0.20 . 1 . . . . 35 A N . 18257 4 35 . 1 1 57 57 THR H H 1 7.273 0.02 . 1 . . . . 38 T HN . 18257 4 36 . 1 1 57 57 THR CA C 13 60.781 0.20 . 1 . . . . 38 T CA . 18257 4 37 . 1 1 57 57 THR CB C 13 68.737 0.20 . 1 . . . . 38 T CB . 18257 4 38 . 1 1 57 57 THR N N 15 105.169 0.20 . 1 . . . . 38 T N . 18257 4 39 . 1 1 75 75 LEU H H 1 7.412 0.02 . 1 . . . . 56 L HN . 18257 4 40 . 1 1 75 75 LEU CB C 13 39.734 0.20 . 1 . . . . 56 L CB . 18257 4 41 . 1 1 75 75 LEU N N 15 117.824 0.20 . 1 . . . . 56 L N . 18257 4 42 . 1 1 76 76 VAL H H 1 7.98 0.02 . 1 . . . . 57 V HN . 18257 4 43 . 1 1 76 76 VAL CA C 13 59.54 0.20 . 1 . . . . 57 V CA . 18257 4 44 . 1 1 76 76 VAL CB C 13 31.278 0.20 . 1 . . . . 57 V CB . 18257 4 45 . 1 1 76 76 VAL N N 15 120.482 0.20 . 1 . . . . 57 V N . 18257 4 46 . 1 1 79 79 PHE CA C 13 60.909 0.20 . 1 . . . . 60 F CA . 18257 4 47 . 1 1 79 79 PHE CB C 13 39.568 0.20 . 1 . . . . 60 F CB . 18257 4 48 . 1 1 80 80 GLN H H 1 7.162 0.02 . 1 . . . . 61 Q HN . 18257 4 49 . 1 1 80 80 GLN CA C 13 55.56 0.20 . 1 . . . . 61 Q CA . 18257 4 50 . 1 1 80 80 GLN CB C 13 28.294 0.20 . 1 . . . . 61 Q CB . 18257 4 51 . 1 1 80 80 GLN N N 15 114.001 0.20 . 1 . . . . 61 Q N . 18257 4 52 . 1 1 82 82 GLN CA C 13 55.522 0.20 . 1 . . . . 63 Q CA . 18257 4 53 . 1 1 83 83 CYS H H 1 8.378 0.02 . 1 . . . . 64 C HN . 18257 4 54 . 1 1 83 83 CYS CA C 13 56.803 0.20 . 1 . . . . 64 C CA . 18257 4 55 . 1 1 83 83 CYS CB C 13 29.123 0.20 . 1 . . . . 64 C CB . 18257 4 56 . 1 1 83 83 CYS N N 15 121.006 0.20 . 1 . . . . 64 C N . 18257 4 57 . 1 1 85 85 GLU CA C 13 55.687 0.20 . 1 . . . . 66 E CA . 18257 4 58 . 1 1 85 85 GLU CB C 13 30.659 0.20 . 1 . . . . 66 E CB . 18257 4 59 . 1 1 86 86 THR H H 1 8.667 0.02 . 1 . . . . 67 T HN . 18257 4 60 . 1 1 86 86 THR CA C 13 61.61 0.20 . 1 . . . . 67 T CA . 18257 4 61 . 1 1 86 86 THR CB C 13 70.312 0.20 . 1 . . . . 67 T CB . 18257 4 62 . 1 1 86 86 THR N N 15 119.807 0.20 . 1 . . . . 67 T N . 18257 4 63 . 1 1 87 87 HIS CA C 13 60.163 0.20 . 1 . . . . 68 H CA . 18257 4 64 . 1 1 87 87 HIS CB C 13 28.629 0.20 . 1 . . . . 68 H CB . 18257 4 65 . 1 1 88 88 ALA H H 1 8.841 0.02 . 1 . . . . 69 A HN . 18257 4 66 . 1 1 88 88 ALA CA C 13 54.595 0.20 . 1 . . . . 69 A CA . 18257 4 67 . 1 1 88 88 ALA CB C 13 17.081 0.20 . 1 . . . . 69 A CB . 18257 4 68 . 1 1 88 88 ALA N N 15 119.174 0.20 . 1 . . . . 69 A N . 18257 4 69 . 1 1 89 89 GLN H H 1 8.016 0.02 . 1 . . . . 70 Q HN . 18257 4 70 . 1 1 89 89 GLN CA C 13 56.516 0.20 . 1 . . . . 70 Q CA . 18257 4 71 . 1 1 89 89 GLN CB C 13 28.549 0.20 . 1 . . . . 70 Q CB . 18257 4 72 . 1 1 89 89 GLN N N 15 119.903 0.20 . 1 . . . . 70 Q N . 18257 4 73 . 1 1 90 90 ALA H H 1 8.422 0.02 . 1 . . . . 71 A HN . 18257 4 74 . 1 1 90 90 ALA CA C 13 54.566 0.20 . 1 . . . . 71 A CA . 18257 4 75 . 1 1 90 90 ALA CB C 13 17.604 0.20 . 1 . . . . 71 A CB . 18257 4 76 . 1 1 90 90 ALA N N 15 124.313 0.20 . 1 . . . . 71 A N . 18257 4 77 . 1 1 98 98 PRO CA C 13 63.685 0.20 . 1 . . . . 79 P CA . 18257 4 78 . 1 1 98 98 PRO CB C 13 33.228 0.20 . 1 . . . . 79 P CB . 18257 4 79 . 1 1 99 99 TRP H H 1 7.181 0.02 . 1 . . . . 80 W HN . 18257 4 80 . 1 1 99 99 TRP CA C 13 55.729 0.20 . 1 . . . . 80 W CA . 18257 4 81 . 1 1 99 99 TRP CB C 13 35.071 0.20 . 1 . . . . 80 W CB . 18257 4 82 . 1 1 99 99 TRP N N 15 123.361 0.20 . 1 . . . . 80 W N . 18257 4 83 . 1 1 100 100 ALA H H 1 8.335 0.02 . 1 . . . . 81 A HN . 18257 4 84 . 1 1 100 100 ALA CA C 13 52.08 0.20 . 1 . . . . 81 A CA . 18257 4 85 . 1 1 100 100 ALA CB C 13 17.604 0.20 . 1 . . . . 81 A CB . 18257 4 86 . 1 1 100 100 ALA N N 15 122.927 0.20 . 1 . . . . 81 A N . 18257 4 87 . 1 1 102 102 PRO CA C 13 64.348 0.20 . 1 . . . . 83 P CA . 18257 4 88 . 1 1 102 102 PRO CB C 13 31.074 0.20 . 1 . . . . 83 P CB . 18257 4 89 . 1 1 103 103 SER H H 1 8.361 0.02 . 1 . . . . 84 S HN . 18257 4 90 . 1 1 103 103 SER CA C 13 54.151 0.20 . 1 . . . . 84 S CA . 18257 4 91 . 1 1 103 103 SER CB C 13 62.936 0.20 . 1 . . . . 84 S CB . 18257 4 92 . 1 1 103 103 SER N N 15 110.219 0.20 . 1 . . . . 84 S N . 18257 4 93 . 1 1 109 109 VAL H H 1 7.254 0.02 . 1 . . . . 90 V HN . 18257 4 94 . 1 1 109 109 VAL CA C 13 65.174 0.20 . 1 . . . . 90 V CA . 18257 4 95 . 1 1 109 109 VAL CB C 13 29.538 0.20 . 1 . . . . 90 V CB . 18257 4 96 . 1 1 109 109 VAL N N 15 121.373 0.20 . 1 . . . . 90 V N . 18257 4 97 . 1 1 114 114 GLU CA C 13 55.56 0.20 . 1 . . . . 95 E CA . 18257 4 98 . 1 1 114 114 GLU CB C 13 28.546 0.20 . 1 . . . . 95 E CB . 18257 4 99 . 1 1 115 115 SER H H 1 8.376 0.02 . 1 . . . . 96 S HN . 18257 4 100 . 1 1 115 115 SER CA C 13 58.71 0.20 . 1 . . . . 96 S CA . 18257 4 101 . 1 1 115 115 SER CB C 13 61.279 0.20 . 1 . . . . 96 S CB . 18257 4 102 . 1 1 115 115 SER N N 15 114.283 0.20 . 1 . . . . 96 S N . 18257 4 103 . 1 1 119 119 GLY H H 1 8.532 0.02 . 1 . . . . 100 G HN . 18257 4 104 . 1 1 119 119 GLY CA C 13 44.516 0.20 . 1 . . . . 100 G CA . 18257 4 105 . 1 1 119 119 GLY N N 15 109.67 0.20 . 1 . . . . 100 G N . 18257 4 106 . 1 1 136 136 PHE CA C 13 53.252 0.20 . 1 . . . . 117 F CA . 18257 4 107 . 1 1 136 136 PHE CB C 13 40.327 0.20 . 1 . . . . 117 F CB . 18257 4 108 . 1 1 137 137 GLU H H 1 8.222 0.02 . 1 . . . . 118 E HN . 18257 4 109 . 1 1 137 137 GLU CA C 13 54.559 0.20 . 1 . . . . 118 E CA . 18257 4 110 . 1 1 137 137 GLU N N 15 129.535 0.20 . 1 . . . . 118 E N . 18257 4 111 . 1 1 142 142 GLU H H 1 7.541 0.02 . 1 . . . . 123 E HN . 18257 4 112 . 1 1 142 142 GLU N N 15 119.05 0.20 . 1 . . . . 123 E N . 18257 4 113 . 1 1 144 144 GLU H H 1 10.233 0.02 . 1 . . . . 125 E HN . 18257 4 114 . 1 1 144 144 GLU N N 15 119.476 0.20 . 1 . . . . 125 E N . 18257 4 115 . 1 1 145 145 ASP CA C 13 51.986 0.20 . 1 . . . . 126 D CA . 18257 4 116 . 1 1 145 145 ASP CB C 13 39.195 0.20 . 1 . . . . 126 D CB . 18257 4 117 . 1 1 146 146 HIS H H 1 6.895 0.02 . 1 . . . . 127 H HN . 18257 4 118 . 1 1 146 146 HIS CA C 13 56.83 0.20 . 1 . . . . 127 H CA . 18257 4 119 . 1 1 146 146 HIS CB C 13 35.216 0.20 . 1 . . . . 127 H CB . 18257 4 120 . 1 1 146 146 HIS N N 15 119.968 0.20 . 1 . . . . 127 H N . 18257 4 121 . 1 1 181 181 PHE CA C 13 59.1 0.20 . 1 . . . . 162 F CA . 18257 4 122 . 1 1 181 181 PHE CB C 13 37.792 0.20 . 1 . . . . 162 F CB . 18257 4 123 . 1 1 182 182 LEU H H 1 7.89 0.02 . 1 . . . . 163 L HN . 18257 4 124 . 1 1 182 182 LEU CA C 13 56.568 0.20 . 1 . . . . 163 L CA . 18257 4 125 . 1 1 182 182 LEU CB C 13 40.518 0.20 . 1 . . . . 163 L CB . 18257 4 126 . 1 1 182 182 LEU N N 15 119.671 0.20 . 1 . . . . 163 L N . 18257 4 127 . 1 1 183 183 ASP CA C 13 57.267 0.20 . 1 . . . . 164 D CA . 18257 4 128 . 1 1 184 184 VAL H H 1 7.591 0.02 . 1 . . . . 165 V HN . 18257 4 129 . 1 1 184 184 VAL CA C 13 65.825 0.20 . 1 . . . . 165 V CA . 18257 4 130 . 1 1 184 184 VAL CB C 13 30.456 0.20 . 1 . . . . 165 V CB . 18257 4 131 . 1 1 184 184 VAL N N 15 120.789 0.20 . 1 . . . . 165 V N . 18257 4 132 . 1 1 185 185 PHE CB C 13 39.189 0.20 . 1 . . . . 166 F CB . 18257 4 133 . 1 1 186 186 ILE H H 1 8.877 0.02 . 1 . . . . 167 I HN . 18257 4 134 . 1 1 186 186 ILE CA C 13 65.825 0.20 . 1 . . . . 167 I CA . 18257 4 135 . 1 1 186 186 ILE CB C 13 38.496 0.20 . 1 . . . . 167 I CB . 18257 4 136 . 1 1 186 186 ILE N N 15 117.531 0.20 . 1 . . . . 167 I N . 18257 4 137 . 1 1 187 187 GLU H H 1 7.088 0.02 . 1 . . . . 168 E HN . 18257 4 138 . 1 1 187 187 GLU CA C 13 58.576 0.20 . 1 . . . . 168 E CA . 18257 4 139 . 1 1 187 187 GLU CB C 13 28.972 0.20 . 1 . . . . 168 E CB . 18257 4 140 . 1 1 187 187 GLU N N 15 118.036 0.20 . 1 . . . . 168 E N . 18257 4 141 . 1 1 188 188 LYS H H 1 7.774 0.02 . 1 . . . . 169 K HN . 18257 4 142 . 1 1 188 188 LYS CA C 13 54.478 0.20 . 1 . . . . 169 K CA . 18257 4 143 . 1 1 188 188 LYS N N 15 114.194 0.20 . 1 . . . . 169 K N . 18257 4 144 . 1 1 189 189 ALA H H 1 7.851 0.02 . 1 . . . . 170 A HN . 18257 4 145 . 1 1 189 189 ALA CA C 13 55.674 0.20 . 1 . . . . 170 A CA . 18257 4 146 . 1 1 189 189 ALA CB C 13 16.661 0.20 . 1 . . . . 170 A CB . 18257 4 147 . 1 1 189 189 ALA N N 15 123.248 0.20 . 1 . . . . 170 A N . 18257 4 148 . 1 1 190 190 GLU H H 1 8.836 0.02 . 1 . . . . 171 E HN . 18257 4 149 . 1 1 190 190 GLU CA C 13 57.792 0.20 . 1 . . . . 171 E CA . 18257 4 150 . 1 1 190 190 GLU CB C 13 27.198 0.20 . 1 . . . . 171 E CB . 18257 4 151 . 1 1 190 190 GLU N N 15 110.431 0.20 . 1 . . . . 171 E N . 18257 4 152 . 1 1 191 191 HIS H H 1 7.417 0.02 . 1 . . . . 172 H HN . 18257 4 153 . 1 1 191 191 HIS CB C 13 33.862 0.20 . 1 . . . . 172 H CB . 18257 4 154 . 1 1 191 191 HIS N N 15 119.462 0.20 . 1 . . . . 172 H N . 18257 4 155 . 1 1 192 192 PRO CA C 13 64.823 0.20 . 1 . . . . 173 P CA . 18257 4 156 . 1 1 193 193 PHE H H 1 9.487 0.02 . 1 . . . . 174 F HN . 18257 4 157 . 1 1 193 193 PHE CA C 13 61.373 0.20 . 1 . . . . 174 F CA . 18257 4 158 . 1 1 193 193 PHE CB C 13 39.192 0.20 . 1 . . . . 174 F CB . 18257 4 159 . 1 1 193 193 PHE N N 15 120.069 0.20 . 1 . . . . 174 F N . 18257 4 160 . 1 1 194 194 TYR H H 1 7.08 0.02 . 1 . . . . 175 Y HN . 18257 4 161 . 1 1 194 194 TYR CB C 13 38.405 0.20 . 1 . . . . 175 Y CB . 18257 4 162 . 1 1 194 194 TYR N N 15 115.071 0.20 . 1 . . . . 175 Y N . 18257 4 163 . 1 1 195 195 ARG H H 1 8.746 0.02 . 1 . . . . 176 R HN . 18257 4 164 . 1 1 195 195 ARG CA C 13 60.15 0.20 . 1 . . . . 176 R CA . 18257 4 165 . 1 1 195 195 ARG CB C 13 28.797 0.20 . 1 . . . . 176 R CB . 18257 4 166 . 1 1 195 195 ARG N N 15 121.812 0.20 . 1 . . . . 176 R N . 18257 4 167 . 1 1 196 196 ALA H H 1 7.274 0.02 . 1 . . . . 177 A HN . 18257 4 168 . 1 1 196 196 ALA CB C 13 14.999 0.20 . 1 . . . . 177 A CB . 18257 4 169 . 1 1 196 196 ALA N N 15 121.013 0.20 . 1 . . . . 177 A N . 18257 4 170 . 1 1 197 197 LEU CA C 13 57.357 0.20 . 1 . . . . 178 L CA . 18257 4 171 . 1 1 197 197 LEU N N 15 119.956 0.20 . 1 . . . . 178 L N . 18257 4 172 . 1 1 198 198 GLY H H 1 8.467 0.02 . 1 . . . . 179 G HN . 18257 4 173 . 1 1 198 198 GLY N N 15 106.155 0.20 . 1 . . . . 179 G N . 18257 4 174 . 1 1 206 206 ALA CA C 13 54.303 0.20 . 1 . . . . 187 A CA . 18257 4 175 . 1 1 206 206 ALA CB C 13 16.88 0.20 . 1 . . . . 187 A CB . 18257 4 176 . 1 1 207 207 GLN H H 1 7.165 0.02 . 1 . . . . 188 Q HN . 18257 4 177 . 1 1 207 207 GLN CA C 13 58.055 0.20 . 1 . . . . 188 Q CA . 18257 4 178 . 1 1 207 207 GLN CB C 13 26.963 0.20 . 1 . . . . 188 Q CB . 18257 4 179 . 1 1 207 207 GLN N N 15 119.956 0.20 . 1 . . . . 188 Q N . 18257 4 180 . 1 1 210 210 SER H H 1 7.441 0.02 . 1 . . . . 191 S HN . 18257 4 181 . 1 1 210 210 SER N N 15 113.31 0.20 . 1 . . . . 191 S N . 18257 4 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 18257 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'amide 15N NOE' _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '2D 1H-15N HSQC' . . . 18257 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 20 20 MET N N 15 . 1 1 20 20 MET H H 1 390571 19528.55 . . . 1 MET N . 1 MET H 18257 1 2 . 1 1 21 21 THR N N 15 . 1 1 21 21 THR H H 1 63295 3164.75 . . . 2 THR N . 2 THR H 18257 1 3 . 1 1 22 22 HIS N N 15 . 1 1 22 22 HIS H H 1 88515 4425.75 . . . 3 HIS N . 3 HIS H 18257 1 4 . 1 1 23 23 PHE N N 15 . 1 1 23 23 PHE H H 1 78234 3911.7 . . . 4 PHE N . 4 PHE H 18257 1 5 . 1 1 26 26 GLN N N 15 . 1 1 26 26 GLN H H 1 91779 4588.95 . . . 7 GLN N . 7 GLN H 18257 1 6 . 1 1 27 27 ASP N N 15 . 1 1 27 27 ASP H H 1 133551 6677.55 . . . 8 ASP N . 8 ASP H 18257 1 7 . 1 1 28 28 ASN N N 15 . 1 1 28 28 ASN H H 1 106523 5326.15 . . . 9 ASN N . 9 ASN H 18257 1 8 . 1 1 29 29 PHE N N 15 . 1 1 29 29 PHE H H 1 234546 11727.3 . . . 10 PHE N . 10 PHE H 18257 1 9 . 1 1 30 30 SER N N 15 . 1 1 30 30 SER H H 1 239250 11962.5 . . . 11 SER N . 11 SER H 18257 1 10 . 1 1 31 31 VAL N N 15 . 1 1 31 31 VAL H H 1 256864 12843.2 . . . 12 VAL N . 12 VAL H 18257 1 11 . 1 1 32 32 ALA N N 15 . 1 1 32 32 ALA H H 1 160345 8017.25 . . . 13 ALA N . 13 ALA H 18257 1 12 . 1 1 33 33 ALA N N 15 . 1 1 33 33 ALA H H 1 279863 13993.15 . . . 14 ALA N . 14 ALA H 18257 1 13 . 1 1 34 34 ARG N N 15 . 1 1 34 34 ARG H H 1 251452 12572.6 . . . 15 ARG N . 15 ARG H 18257 1 14 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 114058 5702.9 . . . 16 VAL N . 16 VAL H 18257 1 15 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 155734 7786.7 . . . 17 LEU N . 17 LEU H 18257 1 16 . 1 1 37 37 GLY N N 15 . 1 1 37 37 GLY H H 1 152448 7622.4 . . . 18 GLY N . 18 GLY H 18257 1 17 . 1 1 38 38 ALA N N 15 . 1 1 38 38 ALA H H 1 236691 11834.55 . . . 19 ALA N . 19 ALA H 18257 1 18 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 183514 9175.7 . . . 20 LEU N . 20 LEU H 18257 1 19 . 1 1 40 40 PHE N N 15 . 1 1 40 40 PHE H H 1 138578 6928.9 . . . 21 PHE N . 21 PHE H 18257 1 20 . 1 1 41 41 TYR N N 15 . 1 1 41 41 TYR H H 1 117664 5883.2 . . . 22 TYR N . 22 TYR H 18257 1 21 . 1 1 42 42 TYR N N 15 . 1 1 42 42 TYR H H 1 181777 9088.85 . . . 23 TYR N . 23 TYR H 18257 1 22 . 1 1 43 43 ALA N N 15 . 1 1 43 43 ALA H H 1 238559 11927.95 . . . 24 ALA N . 24 ALA H 18257 1 23 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 191382 9569.1 . . . 26 GLU N . 26 GLU H 18257 1 24 . 1 1 46 46 SER N N 15 . 1 1 46 46 SER H H 1 285076 14253.8 . . . 27 SER N . 27 SER H 18257 1 25 . 1 1 47 47 ALA N N 15 . 1 1 47 47 ALA H H 1 377917 18895.85 . . . 28 ALA N . 28 ALA H 18257 1 26 . 1 1 48 48 GLU N N 15 . 1 1 48 48 GLU H H 1 197584 9879.2 . . . 29 GLU N . 29 GLU H 18257 1 27 . 1 1 49 49 ALA N N 15 . 1 1 49 49 ALA H H 1 336122 16806.1 . . . 30 ALA N . 30 ALA H 18257 1 28 . 1 1 50 50 ALA N N 15 . 1 1 50 50 ALA H H 1 228129 11406.45 . . . 31 ALA N . 31 ALA H 18257 1 29 . 1 1 52 52 LEU N N 15 . 1 1 52 52 LEU H H 1 185657 9282.85 . . . 33 LEU N . 33 LEU H 18257 1 30 . 1 1 53 53 VAL N N 15 . 1 1 53 53 VAL H H 1 166923 8346.15 . . . 34 VAL N . 34 VAL H 18257 1 31 . 1 1 54 54 ALA N N 15 . 1 1 54 54 ALA H H 1 196378 9818.9 . . . 35 ALA N . 35 ALA H 18257 1 32 . 1 1 55 55 VAL N N 15 . 1 1 55 55 VAL H H 1 346314 17315.7 . . . 36 VAL N . 36 VAL H 18257 1 33 . 1 1 56 56 LEU N N 15 . 1 1 56 56 LEU H H 1 263612 13180.6 . . . 37 LEU N . 37 LEU H 18257 1 34 . 1 1 57 57 THR N N 15 . 1 1 57 57 THR H H 1 223792 11189.6 . . . 38 THR N . 38 THR H 18257 1 35 . 1 1 58 58 SER N N 15 . 1 1 58 58 SER H H 1 426185 21309.25 . . . 39 SER N . 39 SER H 18257 1 36 . 1 1 59 59 ASP N N 15 . 1 1 59 59 ASP H H 1 450593 22529.65 . . . 40 ASP N . 40 ASP H 18257 1 37 . 1 1 60 60 GLY N N 15 . 1 1 60 60 GLY H H 1 145967 7298.35 . . . 41 GLY N . 41 GLY H 18257 1 38 . 1 1 61 61 TRP N N 15 . 1 1 61 61 TRP H H 1 344436 17221.8 . . . 42 TRP N . 42 TRP H 18257 1 39 . 1 1 62 62 GLU N N 15 . 1 1 62 62 GLU H H 1 175531 8776.55 . . . 43 GLU N . 43 GLU H 18257 1 40 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 340812 17040.6 . . . 44 THR N . 44 THR H 18257 1 41 . 1 1 64 64 GLN N N 15 . 1 1 64 64 GLN H H 1 263470 13173.5 . . . 45 GLN N . 45 GLN H 18257 1 42 . 1 1 65 65 TRP N N 15 . 1 1 65 65 TRP H H 1 269878 13493.9 . . . 46 TRP N . 46 TRP H 18257 1 43 . 1 1 67 67 LEU N N 15 . 1 1 67 67 LEU H H 1 302492 15124.6 . . . 48 LEU N . 48 LEU H 18257 1 44 . 1 1 69 69 GLU N N 15 . 1 1 69 69 GLU H H 1 366937 18346.85 . . . 50 GLU N . 50 GLU H 18257 1 45 . 1 1 70 70 ALA N N 15 . 1 1 70 70 ALA H H 1 564167 28208.35 . . . 51 ALA N . 51 ALA H 18257 1 46 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 383358 19167.9 . . . 52 SER N . 52 SER H 18257 1 47 . 1 1 72 72 LEU N N 15 . 1 1 72 72 LEU H H 1 345042 17252.1 . . . 53 LEU N . 53 LEU H 18257 1 48 . 1 1 73 73 ALA N N 15 . 1 1 73 73 ALA H H 1 338118 16905.9 . . . 54 ALA N . 54 ALA H 18257 1 49 . 1 1 75 75 LEU N N 15 . 1 1 75 75 LEU H H 1 229580 11479 . . . 56 LEU N . 56 LEU H 18257 1 50 . 1 1 76 76 VAL N N 15 . 1 1 76 76 VAL H H 1 172689 8634.45 . . . 57 VAL N . 57 VAL H 18257 1 51 . 1 1 77 77 THR N N 15 . 1 1 77 77 THR H H 1 233370 11668.5 . . . 58 THR N . 58 THR H 18257 1 52 . 1 1 78 78 ALA N N 15 . 1 1 78 78 ALA H H 1 224615 11230.75 . . . 59 ALA N . 59 ALA H 18257 1 53 . 1 1 79 79 PHE N N 15 . 1 1 79 79 PHE H H 1 201447 10072.35 . . . 60 PHE N . 60 PHE H 18257 1 54 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 243056 12152.8 . . . 61 GLN N . 61 GLN H 18257 1 55 . 1 1 81 81 THR N N 15 . 1 1 81 81 THR H H 1 395264 19763.2 . . . 62 THR N . 62 THR H 18257 1 56 . 1 1 82 82 GLN N N 15 . 1 1 82 82 GLN H H 1 286782 14339.1 . . . 63 GLN N . 63 GLN H 18257 1 57 . 1 1 83 83 CYS N N 15 . 1 1 83 83 CYS H H 1 243010 12150.5 . . . 64 CYS N . 64 CYS H 18257 1 58 . 1 1 84 84 GLU N N 15 . 1 1 84 84 GLU H H 1 279519 13975.95 . . . 65 GLU N . 65 GLU H 18257 1 59 . 1 1 85 85 GLU N N 15 . 1 1 85 85 GLU H H 1 497826 24891.3 . . . 66 GLU N . 66 GLU H 18257 1 60 . 1 1 86 86 THR N N 15 . 1 1 86 86 THR H H 1 140246 7012.3 . . . 67 THR N . 67 THR H 18257 1 61 . 1 1 87 87 HIS N N 15 . 1 1 87 87 HIS H H 1 192449 9622.45 . . . 68 HIS N . 68 HIS H 18257 1 62 . 1 1 88 88 ALA N N 15 . 1 1 88 88 ALA H H 1 168214 8410.7 . . . 69 ALA N . 69 ALA H 18257 1 63 . 1 1 89 89 GLN N N 15 . 1 1 89 89 GLN H H 1 230391 11519.55 . . . 70 GLN N . 70 GLN H 18257 1 64 . 1 1 90 90 ALA N N 15 . 1 1 90 90 ALA H H 1 122776 6138.8 . . . 71 ALA N . 71 ALA H 18257 1 65 . 1 1 91 91 TRP N N 15 . 1 1 91 91 TRP H H 1 136589 6829.45 . . . 72 TRP N . 72 TRP H 18257 1 66 . 1 1 92 92 GLN N N 15 . 1 1 92 92 GLN H H 1 117376 5868.8 . . . 73 GLN N . 73 GLN H 18257 1 67 . 1 1 93 93 ARG N N 15 . 1 1 93 93 ARG H H 1 254825 12741.25 . . . 74 ARG N . 74 ARG H 18257 1 68 . 1 1 94 94 LEU N N 15 . 1 1 94 94 LEU H H 1 260694 13034.7 . . . 75 LEU N . 75 LEU H 18257 1 69 . 1 1 95 95 PHE N N 15 . 1 1 95 95 PHE H H 1 265704 13285.2 . . . 76 PHE N . 76 PHE H 18257 1 70 . 1 1 99 99 TRP N N 15 . 1 1 99 99 TRP H H 1 101998 5099.9 . . . 80 TRP N . 80 TRP H 18257 1 71 . 1 1 100 100 ALA N N 15 . 1 1 100 100 ALA H H 1 191213 9560.65 . . . 81 ALA N . 81 ALA H 18257 1 72 . 1 1 101 101 LEU N N 15 . 1 1 101 101 LEU H H 1 138720 6936 . . . 82 LEU N . 82 LEU H 18257 1 73 . 1 1 103 103 SER N N 15 . 1 1 103 103 SER H H 1 140949 7047.45 . . . 84 SER N . 84 SER H 18257 1 74 . 1 1 108 108 SER N N 15 . 1 1 108 108 SER H H 1 198061 9903.05 . . . 89 SER N . 89 SER H 18257 1 75 . 1 1 109 109 VAL N N 15 . 1 1 109 109 VAL H H 1 246909 12345.45 . . . 90 VAL N . 90 VAL H 18257 1 76 . 1 1 110 110 TRP N N 15 . 1 1 110 110 TRP H H 1 287027 14351.35 . . . 91 TRP N . 91 TRP H 18257 1 77 . 1 1 111 111 LEU N N 15 . 1 1 111 111 LEU H H 1 130019 6500.95 . . . 92 LEU N . 92 LEU H 18257 1 78 . 1 1 112 112 ASP N N 15 . 1 1 112 112 ASP H H 1 199816 9990.8 . . . 93 ASP N . 93 ASP H 18257 1 79 . 1 1 113 113 ARG N N 15 . 1 1 113 113 ARG H H 1 194339 9716.95 . . . 94 ARG N . 94 ARG H 18257 1 80 . 1 1 114 114 GLU N N 15 . 1 1 114 114 GLU H H 1 227103 11355.15 . . . 95 GLU N . 95 GLU H 18257 1 81 . 1 1 115 115 SER N N 15 . 1 1 115 115 SER H H 1 213636 10681.8 . . . 96 SER N . 96 SER H 18257 1 82 . 1 1 119 119 GLY N N 15 . 1 1 119 119 GLY H H 1 67844 3392.2 . . . 100 GLY N . 100 GLY H 18257 1 83 . 1 1 120 120 ASP N N 15 . 1 1 120 120 ASP H H 1 32998 1649.9 . . . 101 ASP N . 101 ASP H 18257 1 84 . 1 1 121 121 SER N N 15 . 1 1 121 121 SER H H 1 99918 4995.9 . . . 102 SER N . 102 SER H 18257 1 85 . 1 1 122 122 THR N N 15 . 1 1 122 122 THR H H 1 326167 16308.35 . . . 103 THR N . 103 THR H 18257 1 86 . 1 1 123 123 LEU N N 15 . 1 1 123 123 LEU H H 1 308839 15441.95 . . . 104 LEU N . 104 LEU H 18257 1 87 . 1 1 124 124 ALA N N 15 . 1 1 124 124 ALA H H 1 198788 9939.4 . . . 105 ALA N . 105 ALA H 18257 1 88 . 1 1 125 125 LEU N N 15 . 1 1 125 125 LEU H H 1 268474 13423.7 . . . 106 LEU N . 106 LEU H 18257 1 89 . 1 1 126 126 ARG N N 15 . 1 1 126 126 ARG H H 1 316885 15844.25 . . . 107 ARG N . 107 ARG H 18257 1 90 . 1 1 127 127 GLN N N 15 . 1 1 127 127 GLN H H 1 354245 17712.25 . . . 108 GLN N . 108 GLN H 18257 1 91 . 1 1 128 128 TRP N N 15 . 1 1 128 128 TRP H H 1 356511 17825.55 . . . 109 TRP N . 109 TRP H 18257 1 92 . 1 1 129 129 MET N N 15 . 1 1 129 129 MET H H 1 262501 13125.05 . . . 110 MET N . 110 MET H 18257 1 93 . 1 1 130 130 ARG N N 15 . 1 1 130 130 ARG H H 1 281769 14088.45 . . . 111 ARG N . 111 ARG H 18257 1 94 . 1 1 131 131 GLU N N 15 . 1 1 131 131 GLU H H 1 398630 19931.5 . . . 112 GLU N . 112 GLU H 18257 1 95 . 1 1 132 132 LYS N N 15 . 1 1 132 132 LYS H H 1 279122 13956.1 . . . 113 LYS N . 113 LYS H 18257 1 96 . 1 1 133 133 GLY N N 15 . 1 1 133 133 GLY H H 1 344966 17248.3 . . . 114 GLY N . 114 GLY H 18257 1 97 . 1 1 134 134 ILE N N 15 . 1 1 134 134 ILE H H 1 241710 12085.5 . . . 115 ILE N . 115 ILE H 18257 1 98 . 1 1 135 135 GLN N N 15 . 1 1 135 135 GLN H H 1 65992 3299.6 . . . 116 GLN N . 116 GLN H 18257 1 99 . 1 1 136 136 PHE N N 15 . 1 1 136 136 PHE H H 1 65464 3273.2 . . . 117 PHE N . 117 PHE H 18257 1 100 . 1 1 137 137 GLU N N 15 . 1 1 137 137 GLU H H 1 201444 10072.2 . . . 118 GLU N . 118 GLU H 18257 1 101 . 1 1 138 138 MET N N 15 . 1 1 138 138 MET H H 1 160579 8028.95 . . . 119 MET N . 119 MET H 18257 1 102 . 1 1 139 139 LYS N N 15 . 1 1 139 139 LYS H H 1 33934 1696.7 . . . 120 LYS N . 120 LYS H 18257 1 103 . 1 1 140 140 GLN N N 15 . 1 1 140 140 GLN H H 1 160059 8002.95 . . . 121 GLN N . 121 GLN H 18257 1 104 . 1 1 141 141 ASN N N 15 . 1 1 141 141 ASN H H 1 223152 11157.6 . . . 122 ASN N . 122 ASN H 18257 1 105 . 1 1 142 142 GLU N N 15 . 1 1 142 142 GLU H H 1 290214 14510.7 . . . 123 GLU N . 123 GLU H 18257 1 106 . 1 1 144 144 GLU N N 15 . 1 1 144 144 GLU H H 1 49597 2479.85 . . . 125 GLU N . 125 GLU H 18257 1 107 . 1 1 145 145 ASP N N 15 . 1 1 145 145 ASP H H 1 68820 3441 . . . 126 ASP N . 126 ASP H 18257 1 108 . 1 1 151 151 LEU N N 15 . 1 1 151 151 LEU H H 1 86607 4330.35 . . . 132 LEU N . 132 LEU H 18257 1 109 . 1 1 152 152 LEU N N 15 . 1 1 152 152 LEU H H 1 19531 976.55 . . . 133 LEU N . 133 LEU H 18257 1 110 . 1 1 153 153 MET N N 15 . 1 1 153 153 MET H H 1 128930 6446.5 . . . 134 MET N . 134 MET H 18257 1 111 . 1 1 154 154 ALA N N 15 . 1 1 154 154 ALA H H 1 202571 10128.55 . . . 135 ALA N . 135 ALA H 18257 1 112 . 1 1 155 155 ALA N N 15 . 1 1 155 155 ALA H H 1 390395 19519.75 . . . 136 ALA N . 136 ALA H 18257 1 113 . 1 1 156 156 TRP N N 15 . 1 1 156 156 TRP H H 1 144688 7234.4 . . . 137 TRP N . 137 TRP H 18257 1 114 . 1 1 157 157 LEU N N 15 . 1 1 157 157 LEU H H 1 117423 5871.15 . . . 138 LEU N . 138 LEU H 18257 1 115 . 1 1 158 158 ALA N N 15 . 1 1 158 158 ALA H H 1 187432 9371.6 . . . 139 ALA N . 139 ALA H 18257 1 116 . 1 1 159 159 GLU N N 15 . 1 1 159 159 GLU H H 1 224102 11205.1 . . . 140 GLU N . 140 GLU H 18257 1 117 . 1 1 160 160 ASN N N 15 . 1 1 160 160 ASN H H 1 353256 17662.8 . . . 141 ASN N . 141 ASN H 18257 1 118 . 1 1 161 161 GLY N N 15 . 1 1 161 161 GLY H H 1 354408 17720.4 . . . 142 GLY N . 142 GLY H 18257 1 119 . 1 1 162 162 ARG N N 15 . 1 1 162 162 ARG H H 1 278865 13943.25 . . . 143 ARG N . 143 ARG H 18257 1 120 . 1 1 163 163 GLN N N 15 . 1 1 163 163 GLN H H 1 351813 17590.65 . . . 144 GLN N . 144 GLN H 18257 1 121 . 1 1 164 164 THR N N 15 . 1 1 164 164 THR H H 1 322958 16147.9 . . . 145 THR N . 145 THR H 18257 1 122 . 1 1 165 165 GLU N N 15 . 1 1 165 165 GLU H H 1 330663 16533.15 . . . 146 GLU N . 146 GLU H 18257 1 123 . 1 1 166 166 CYS N N 15 . 1 1 166 166 CYS H H 1 309253 15462.65 . . . 147 CYS N . 147 CYS H 18257 1 124 . 1 1 167 167 GLU N N 15 . 1 1 167 167 GLU H H 1 304227 15211.35 . . . 148 GLU N . 148 GLU H 18257 1 125 . 1 1 168 168 GLU N N 15 . 1 1 168 168 GLU H H 1 169386 8469.3 . . . 149 GLU N . 149 GLU H 18257 1 126 . 1 1 169 169 LEU N N 15 . 1 1 169 169 LEU H H 1 266159 13307.95 . . . 150 LEU N . 150 LEU H 18257 1 127 . 1 1 170 170 LEU N N 15 . 1 1 170 170 LEU H H 1 276765 13838.25 . . . 151 LEU N . 151 LEU H 18257 1 128 . 1 1 171 171 ALA N N 15 . 1 1 171 171 ALA H H 1 221536 11076.8 . . . 152 ALA N . 152 ALA H 18257 1 129 . 1 1 172 172 TRP N N 15 . 1 1 172 172 TRP H H 1 305063 15253.15 . . . 153 TRP N . 153 TRP H 18257 1 130 . 1 1 177 177 TRP N N 15 . 1 1 177 177 TRP H H 1 190814 9540.7 . . . 158 TRP N . 158 TRP H 18257 1 131 . 1 1 178 178 SER N N 15 . 1 1 178 178 SER H H 1 232392 11619.6 . . . 159 SER N . 159 SER H 18257 1 132 . 1 1 179 179 THR N N 15 . 1 1 179 179 THR H H 1 251504 12575.2 . . . 160 THR N . 160 THR H 18257 1 133 . 1 1 180 180 ARG N N 15 . 1 1 180 180 ARG H H 1 251054 12552.7 . . . 161 ARG N . 161 ARG H 18257 1 134 . 1 1 181 181 PHE N N 15 . 1 1 181 181 PHE H H 1 252060 12603 . . . 162 PHE N . 162 PHE H 18257 1 135 . 1 1 182 182 LEU N N 15 . 1 1 182 182 LEU H H 1 213508 10675.4 . . . 163 LEU N . 163 LEU H 18257 1 136 . 1 1 183 183 ASP N N 15 . 1 1 183 183 ASP H H 1 248490 12424.5 . . . 164 ASP N . 164 ASP H 18257 1 137 . 1 1 184 184 VAL N N 15 . 1 1 184 184 VAL H H 1 246718 12335.9 . . . 165 VAL N . 165 VAL H 18257 1 138 . 1 1 185 185 PHE N N 15 . 1 1 185 185 PHE H H 1 258719 12935.95 . . . 166 PHE N . 166 PHE H 18257 1 139 . 1 1 186 186 ILE N N 15 . 1 1 186 186 ILE H H 1 148549 7427.45 . . . 167 ILE N . 167 ILE H 18257 1 140 . 1 1 187 187 GLU N N 15 . 1 1 187 187 GLU H H 1 292380 14619 . . . 168 GLU N . 168 GLU H 18257 1 141 . 1 1 188 188 LYS N N 15 . 1 1 188 188 LYS H H 1 153179 7658.95 . . . 169 LYS N . 169 LYS H 18257 1 142 . 1 1 189 189 ALA N N 15 . 1 1 189 189 ALA H H 1 203579 10178.95 . . . 170 ALA N . 170 ALA H 18257 1 143 . 1 1 190 190 GLU N N 15 . 1 1 190 190 GLU H H 1 109581 5479.05 . . . 171 GLU N . 171 GLU H 18257 1 144 . 1 1 191 191 HIS N N 15 . 1 1 191 191 HIS H H 1 -68228 -3411.4 . . . 172 HIS N . 172 HIS H 18257 1 145 . 1 1 193 193 PHE N N 15 . 1 1 193 193 PHE H H 1 101894 5094.7 . . . 174 PHE N . 174 PHE H 18257 1 146 . 1 1 194 194 TYR N N 15 . 1 1 194 194 TYR H H 1 137914 6895.7 . . . 175 TYR N . 175 TYR H 18257 1 147 . 1 1 195 195 ARG N N 15 . 1 1 195 195 ARG H H 1 217918 10895.9 . . . 176 ARG N . 176 ARG H 18257 1 148 . 1 1 196 196 ALA N N 15 . 1 1 196 196 ALA H H 1 263225 13161.25 . . . 177 ALA N . 177 ALA H 18257 1 149 . 1 1 197 197 LEU N N 15 . 1 1 197 197 LEU H H 1 226358 11317.9 . . . 178 LEU N . 178 LEU H 18257 1 150 . 1 1 198 198 GLY N N 15 . 1 1 198 198 GLY H H 1 204063 10203.15 . . . 179 GLY N . 179 GLY H 18257 1 151 . 1 1 199 199 GLU N N 15 . 1 1 199 199 GLU H H 1 215171 10758.55 . . . 180 GLU N . 180 GLU H 18257 1 152 . 1 1 200 200 LEU N N 15 . 1 1 200 200 LEU H H 1 237094 11854.7 . . . 181 LEU N . 181 LEU H 18257 1 153 . 1 1 201 201 ALA N N 15 . 1 1 201 201 ALA H H 1 256148 12807.4 . . . 182 ALA N . 182 ALA H 18257 1 154 . 1 1 202 202 ARG N N 15 . 1 1 202 202 ARG H H 1 290489 14524.45 . . . 183 ARG N . 183 ARG H 18257 1 155 . 1 1 203 203 LEU N N 15 . 1 1 203 203 LEU H H 1 398762 19938.1 . . . 184 LEU N . 184 LEU H 18257 1 156 . 1 1 204 204 THR N N 15 . 1 1 204 204 THR H H 1 187348 9367.4 . . . 185 THR N . 185 THR H 18257 1 157 . 1 1 205 205 LEU N N 15 . 1 1 205 205 LEU H H 1 236025 11801.25 . . . 186 LEU N . 186 LEU H 18257 1 158 . 1 1 206 206 ALA N N 15 . 1 1 206 206 ALA H H 1 263026 13151.3 . . . 187 ALA N . 187 ALA H 18257 1 159 . 1 1 207 207 GLN N N 15 . 1 1 207 207 GLN H H 1 195052 9752.6 . . . 188 GLN N . 188 GLN H 18257 1 160 . 1 1 208 208 TRP N N 15 . 1 1 208 208 TRP H H 1 219994 10999.7 . . . 189 TRP N . 189 TRP H 18257 1 161 . 1 1 209 209 GLN N N 15 . 1 1 209 209 GLN H H 1 323152 16157.6 . . . 190 GLN N . 190 GLN H 18257 1 162 . 1 1 210 210 SER N N 15 . 1 1 210 210 SER H H 1 231529 11576.45 . . . 191 SER N . 191 SER H 18257 1 163 . 1 1 211 211 GLN N N 15 . 1 1 211 211 GLN H H 1 334080 16704 . . . 192 GLN N . 192 GLN H 18257 1 164 . 1 1 212 212 LEU N N 15 . 1 1 212 212 LEU H H 1 413412 20670.6 . . . 193 LEU N . 193 LEU H 18257 1 165 . 1 1 213 213 LEU N N 15 . 1 1 213 213 LEU H H 1 143565 7178.25 . . . 194 LEU N . 194 LEU H 18257 1 166 . 1 1 214 214 ILE N N 15 . 1 1 214 214 ILE H H 1 120906 6045.3 . . . 195 ILE N . 195 ILE H 18257 1 167 . 1 1 216 216 VAL N N 15 . 1 1 216 216 VAL H H 1 387949 19397.45 . . . 197 VAL N . 197 VAL H 18257 1 168 . 1 1 217 217 ALA N N 15 . 1 1 217 217 ALA H H 1 302678 15133.9 . . . 198 ALA N . 198 ALA H 18257 1 169 . 1 1 218 218 VAL N N 15 . 1 1 218 218 VAL H H 1 371086 18554.3 . . . 199 VAL N . 199 VAL H 18257 1 170 . 1 1 219 219 LYS N N 15 . 1 1 219 219 LYS H H 1 209423 10471.15 . . . 200 LYS N . 200 LYS H 18257 1 171 . 1 1 221 221 LEU N N 15 . 1 1 221 221 LEU H H 1 288118 14405.9 . . . 202 LEU N . 202 LEU H 18257 1 172 . 1 1 222 222 PHE N N 15 . 1 1 222 222 PHE H H 1 211727 10586.35 . . . 203 PHE N . 203 PHE H 18257 1 173 . 1 1 223 223 ARG N N 15 . 1 1 223 223 ARG H H 1 392232 19611.6 . . . 204 ARG N . 204 ARG H 18257 1 stop_ save_ save_alternate_conform_heteroNOE_list _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode alternate_conform_heteroNOE_list _Heteronucl_NOE_list.Entry_ID 18257 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description 'amide 15N NOE' _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '2D 1H-15N HSQC' . . . 18257 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 90 90 ALA N N 15 . 1 1 90 90 ALA H H 1 215583 10779.15 . . . 71 ALA N . 71 ALA H 18257 2 2 . 1 1 91 91 TRP N N 15 . 1 1 91 91 TRP H H 1 155348 7767.4 . . . 72 TRP N . 72 TRP H 18257 2 3 . 1 1 92 92 GLN N N 15 . 1 1 92 92 GLN H H 1 154805 7740.25 . . . 73 GLN N . 73 GLN H 18257 2 4 . 1 1 103 103 SER N N 15 . 1 1 103 103 SER H H 1 103721 5186.05 . . . 84 SER N . 84 SER H 18257 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 18257 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type NzHz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details 'Amide 15N T1' _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 18257 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 20 20 MET N N 15 1.496 1.08 . . 1 MET N 18257 1 2 . 1 1 21 21 THR N N 15 0.7694 0.0193 . . 2 THR N 18257 1 3 . 1 1 22 22 HIS N N 15 0.7431 0.027 . . 3 HIS N 18257 1 4 . 1 1 23 23 PHE N N 15 0.8862 0.0196 . . 4 PHE N 18257 1 5 . 1 1 26 26 GLN N N 15 1.133 0.0268 . . 7 GLN N 18257 1 6 . 1 1 27 27 ASP N N 15 1.01 0.0359 . . 8 ASP N 18257 1 7 . 1 1 28 28 ASN N N 15 0.9177 0.00497 . . 9 ASN N 18257 1 8 . 1 1 29 29 PHE N N 15 1.028 0.0143 . . 10 PHE N 18257 1 9 . 1 1 30 30 SER N N 15 1.073 0.0173 . . 11 SER N 18257 1 10 . 1 1 31 31 VAL N N 15 1.12 0.00507 . . 12 VAL N 18257 1 11 . 1 1 32 32 ALA N N 15 1.049 0.0202 . . 13 ALA N 18257 1 12 . 1 1 33 33 ALA N N 15 1.09 0.0123 . . 14 ALA N 18257 1 13 . 1 1 34 34 ARG N N 15 1.033 0.0113 . . 15 ARG N 18257 1 14 . 1 1 35 35 VAL N N 15 0.9507 0.1 . . 16 VAL N 18257 1 15 . 1 1 36 36 LEU N N 15 1.053 0.0241 . . 17 LEU N 18257 1 16 . 1 1 37 37 GLY N N 15 1.07 0.00931 . . 18 GLY N 18257 1 17 . 1 1 38 38 ALA N N 15 1.009 0.0558 . . 19 ALA N 18257 1 18 . 1 1 39 39 LEU N N 15 1.078 0.0417 . . 20 LEU N 18257 1 19 . 1 1 40 40 PHE N N 15 1.051 0.104 . . 21 PHE N 18257 1 20 . 1 1 41 41 TYR N N 15 1.022 0.0601 . . 22 TYR N 18257 1 21 . 1 1 42 42 TYR N N 15 1.02 0.0207 . . 23 TYR N 18257 1 22 . 1 1 43 43 ALA N N 15 1.093 0.0217 . . 24 ALA N 18257 1 23 . 1 1 45 45 GLU N N 15 1.046 0.0105 . . 26 GLU N 18257 1 24 . 1 1 46 46 SER N N 15 0.969 0.0135 . . 27 SER N 18257 1 25 . 1 1 47 47 ALA N N 15 0.989 0.00781 . . 28 ALA N 18257 1 26 . 1 1 48 48 GLU N N 15 1.09 0.023 . . 29 GLU N 18257 1 27 . 1 1 49 49 ALA N N 15 1.151 0.0673 . . 30 ALA N 18257 1 28 . 1 1 50 50 ALA N N 15 1.027 0.00741 . . 31 ALA N 18257 1 29 . 1 1 52 52 LEU N N 15 1.036 0.0326 . . 33 LEU N 18257 1 30 . 1 1 53 53 VAL N N 15 0.9803 0.0113 . . 34 VAL N 18257 1 31 . 1 1 54 54 ALA N N 15 1.011 0.0074 . . 35 ALA N 18257 1 32 . 1 1 55 55 VAL N N 15 1.102 0.0101 . . 36 VAL N 18257 1 33 . 1 1 56 56 LEU N N 15 1.063 0.0124 . . 37 LEU N 18257 1 34 . 1 1 57 57 THR N N 15 1.027 0.0114 . . 38 THR N 18257 1 35 . 1 1 58 58 SER N N 15 1.083 0.0106 . . 39 SER N 18257 1 36 . 1 1 59 59 ASP N N 15 1.129 0.0103 . . 40 ASP N 18257 1 37 . 1 1 60 60 GLY N N 15 1.082 0.0147 . . 41 GLY N 18257 1 38 . 1 1 61 61 TRP N N 15 1.075 0.013 . . 42 TRP N 18257 1 39 . 1 1 62 62 GLU N N 15 1.066 0.00571 . . 43 GLU N 18257 1 40 . 1 1 63 63 THR N N 15 1.023 0.0122 . . 44 THR N 18257 1 41 . 1 1 64 64 GLN N N 15 0.9415 0.0455 . . 45 GLN N 18257 1 42 . 1 1 65 65 TRP N N 15 1.126 0.0137 . . 46 TRP N 18257 1 43 . 1 1 67 67 LEU N N 15 1.099 0.0116 . . 48 LEU N 18257 1 44 . 1 1 69 69 GLU N N 15 1.013 0.00373 . . 50 GLU N 18257 1 45 . 1 1 70 70 ALA N N 15 0.8851 0.0582 . . 51 ALA N 18257 1 46 . 1 1 71 71 SER N N 15 1.065 0.00943 . . 52 SER N 18257 1 47 . 1 1 72 72 LEU N N 15 1.073 0.0084 . . 53 LEU N 18257 1 48 . 1 1 73 73 ALA N N 15 1.048 0.0106 . . 54 ALA N 18257 1 49 . 1 1 75 75 LEU N N 15 1.129 0.0175 . . 56 LEU N 18257 1 50 . 1 1 76 76 VAL N N 15 1.035 0.0245 . . 57 VAL N 18257 1 51 . 1 1 77 77 THR N N 15 1.035 0.00678 . . 58 THR N 18257 1 52 . 1 1 78 78 ALA N N 15 1.066 0.037 . . 59 ALA N 18257 1 53 . 1 1 79 79 PHE N N 15 1.055 0.0152 . . 60 PHE N 18257 1 54 . 1 1 80 80 GLN N N 15 1.079 0.00976 . . 61 GLN N 18257 1 55 . 1 1 81 81 THR N N 15 1.165 0.00454 . . 62 THR N 18257 1 56 . 1 1 82 82 GLN N N 15 0.9529 0.0463 . . 63 GLN N 18257 1 57 . 1 1 83 83 CYS N N 15 0.9798 0.0138 . . 64 CYS N 18257 1 58 . 1 1 84 84 GLU N N 15 0.9922 0.0379 . . 65 GLU N 18257 1 59 . 1 1 85 85 GLU N N 15 1.104 0.0031 . . 66 GLU N 18257 1 60 . 1 1 86 86 THR N N 15 0.9841 0.0137 . . 67 THR N 18257 1 61 . 1 1 87 87 HIS N N 15 1.23 0.34 . . 68 HIS N 18257 1 62 . 1 1 88 88 ALA N N 15 1.531 1.23 . . 69 ALA N 18257 1 63 . 1 1 89 89 GLN N N 15 1.031 0.00981 . . 70 GLN N 18257 1 64 . 1 1 90 90 ALA N N 15 1.041 0.095 . . 71 ALA N 18257 1 65 . 1 1 91 91 TRP N N 15 1.03 0.0207 . . 72 TRP N 18257 1 66 . 1 1 92 92 GLN N N 15 1.089 0.00759 . . 73 GLN N 18257 1 67 . 1 1 93 93 ARG N N 15 1.022 0.0231 . . 74 ARG N 18257 1 68 . 1 1 94 94 LEU N N 15 1.108 0.0165 . . 75 LEU N 18257 1 69 . 1 1 95 95 PHE N N 15 1.098 0.0184 . . 76 PHE N 18257 1 70 . 1 1 99 99 TRP N N 15 0.9725 0.00572 . . 80 TRP N 18257 1 71 . 1 1 100 100 ALA N N 15 0.988 0.0973 . . 81 ALA N 18257 1 72 . 1 1 101 101 LEU N N 15 1.063 0.0244 . . 82 LEU N 18257 1 73 . 1 1 103 103 SER N N 15 1.198 0.0463 . . 84 SER N 18257 1 74 . 1 1 108 108 SER N N 15 0.8884 0.0302 . . 89 SER N 18257 1 75 . 1 1 109 109 VAL N N 15 0.9877 0.0151 . . 90 VAL N 18257 1 76 . 1 1 110 110 TRP N N 15 1.055 0.0169 . . 91 TRP N 18257 1 77 . 1 1 111 111 LEU N N 15 1.129 0.0257 . . 92 LEU N 18257 1 78 . 1 1 112 112 ASP N N 15 0.9399 0.0146 . . 93 ASP N 18257 1 79 . 1 1 113 113 ARG N N 15 1.073 0.0118 . . 94 ARG N 18257 1 80 . 1 1 114 114 GLU N N 15 1.007 0.0154 . . 95 GLU N 18257 1 81 . 1 1 115 115 SER N N 15 0.9701 0.00537 . . 96 SER N 18257 1 82 . 1 1 119 119 GLY N N 15 1.154 0.0384 . . 100 GLY N 18257 1 83 . 1 1 120 120 ASP N N 15 1.302 0.401 . . 101 ASP N 18257 1 84 . 1 1 121 121 SER N N 15 0.8896 0.178 . . 102 SER N 18257 1 85 . 1 1 122 122 THR N N 15 1.008 0.0124 . . 103 THR N 18257 1 86 . 1 1 123 123 LEU N N 15 0.9853 0.0112 . . 104 LEU N 18257 1 87 . 1 1 124 124 ALA N N 15 1.109 0.0183 . . 105 ALA N 18257 1 88 . 1 1 125 125 LEU N N 15 1.072 0.0134 . . 106 LEU N 18257 1 89 . 1 1 126 126 ARG N N 15 1.018 0.00531 . . 107 ARG N 18257 1 90 . 1 1 127 127 GLN N N 15 1.162 0.133 . . 108 GLN N 18257 1 91 . 1 1 128 128 TRP N N 15 1.042 0.0155 . . 109 TRP N 18257 1 92 . 1 1 129 129 MET N N 15 1.031 0.0158 . . 110 MET N 18257 1 93 . 1 1 130 130 ARG N N 15 1.01 0.0245 . . 111 ARG N 18257 1 94 . 1 1 131 131 GLU N N 15 0.8991 0.117 . . 112 GLU N 18257 1 95 . 1 1 132 132 LYS N N 15 1.086 0.0107 . . 113 LYS N 18257 1 96 . 1 1 133 133 GLY N N 15 1.047 0.00615 . . 114 GLY N 18257 1 97 . 1 1 134 134 ILE N N 15 1.033 0.0326 . . 115 ILE N 18257 1 98 . 1 1 135 135 GLN N N 15 0.9309 0.0635 . . 116 GLN N 18257 1 99 . 1 1 136 136 PHE N N 15 1.174 0.0123 . . 117 PHE N 18257 1 100 . 1 1 137 137 GLU N N 15 0.9625 0.00626 . . 118 GLU N 18257 1 101 . 1 1 138 138 MET N N 15 0.9962 0.037 . . 119 MET N 18257 1 102 . 1 1 139 139 LYS N N 15 0.6363 0.0867 . . 120 LYS N 18257 1 103 . 1 1 140 140 GLN N N 15 0.964 0.00922 . . 121 GLN N 18257 1 104 . 1 1 141 141 ASN N N 15 0.9702 0.0133 . . 122 ASN N 18257 1 105 . 1 1 142 142 GLU N N 15 1.039 0.00943 . . 123 GLU N 18257 1 106 . 1 1 144 144 GLU N N 15 1.067 0.0722 . . 125 GLU N 18257 1 107 . 1 1 145 145 ASP N N 15 1.076 0.0124 . . 126 ASP N 18257 1 108 . 1 1 151 151 LEU N N 15 0.9867 0.0393 . . 132 LEU N 18257 1 109 . 1 1 152 152 LEU N N 15 0.7307 0.0923 . . 133 LEU N 18257 1 110 . 1 1 153 153 MET N N 15 0.9963 0.0309 . . 134 MET N 18257 1 111 . 1 1 154 154 ALA N N 15 1.041 0.0654 . . 135 ALA N 18257 1 112 . 1 1 155 155 ALA N N 15 1.013 0.0126 . . 136 ALA N 18257 1 113 . 1 1 156 156 TRP N N 15 1.033 0.0116 . . 137 TRP N 18257 1 114 . 1 1 157 157 LEU N N 15 0.906 0.0342 . . 138 LEU N 18257 1 115 . 1 1 158 158 ALA N N 15 0.9977 0.0262 . . 139 ALA N 18257 1 116 . 1 1 159 159 GLU N N 15 1.063 0.0047 . . 140 GLU N 18257 1 117 . 1 1 160 160 ASN N N 15 1.13 0.00595 . . 141 ASN N 18257 1 118 . 1 1 161 161 GLY N N 15 1.057 0.00825 . . 142 GLY N 18257 1 119 . 1 1 162 162 ARG N N 15 1.089 0.0105 . . 143 ARG N 18257 1 120 . 1 1 163 163 GLN N N 15 1.122 0.00569 . . 144 GLN N 18257 1 121 . 1 1 164 164 THR N N 15 1.016 0.0399 . . 145 THR N 18257 1 122 . 1 1 165 165 GLU N N 15 1.042 0.0139 . . 146 GLU N 18257 1 123 . 1 1 166 166 CYS N N 15 1.097 0.124 . . 147 CYS N 18257 1 124 . 1 1 167 167 GLU N N 15 1.004 0.0268 . . 148 GLU N 18257 1 125 . 1 1 168 168 GLU N N 15 0.9746 0.0253 . . 149 GLU N 18257 1 126 . 1 1 169 169 LEU N N 15 0.9741 0.0337 . . 150 LEU N 18257 1 127 . 1 1 170 170 LEU N N 15 1.055 0.0321 . . 151 LEU N 18257 1 128 . 1 1 171 171 ALA N N 15 1.027 0.0188 . . 152 ALA N 18257 1 129 . 1 1 172 172 TRP N N 15 1.034 0.0204 . . 153 TRP N 18257 1 130 . 1 1 177 177 TRP N N 15 0.7463 0.221 . . 158 TRP N 18257 1 131 . 1 1 178 178 SER N N 15 0.9741 0.00899 . . 159 SER N 18257 1 132 . 1 1 179 179 THR N N 15 1.036 0.0779 . . 160 THR N 18257 1 133 . 1 1 180 180 ARG N N 15 1.126 0.0137 . . 161 ARG N 18257 1 134 . 1 1 181 181 PHE N N 15 1.101 0.0717 . . 162 PHE N 18257 1 135 . 1 1 182 182 LEU N N 15 0.9598 0.0206 . . 163 LEU N 18257 1 136 . 1 1 183 183 ASP N N 15 1.062 0.0116 . . 164 ASP N 18257 1 137 . 1 1 184 184 VAL N N 15 1.071 0.0188 . . 165 VAL N 18257 1 138 . 1 1 185 185 PHE N N 15 0.9853 0.00603 . . 166 PHE N 18257 1 139 . 1 1 186 186 ILE N N 15 1.139 0.0175 . . 167 ILE N 18257 1 140 . 1 1 187 187 GLU N N 15 1.079 0.0119 . . 168 GLU N 18257 1 141 . 1 1 188 188 LYS N N 15 1.149 0.0192 . . 169 LYS N 18257 1 142 . 1 1 189 189 ALA N N 15 1.02 0.0126 . . 170 ALA N 18257 1 143 . 1 1 190 190 GLU N N 15 1.079 0.0545 . . 171 GLU N 18257 1 144 . 1 1 191 191 HIS N N 15 1.194 0.0214 . . 172 HIS N 18257 1 145 . 1 1 193 193 PHE N N 15 1.072 0.0237 . . 174 PHE N 18257 1 146 . 1 1 194 194 TYR N N 15 1.188 0.0139 . . 175 TYR N 18257 1 147 . 1 1 195 195 ARG N N 15 0.9845 0.0165 . . 176 ARG N 18257 1 148 . 1 1 196 196 ALA N N 15 1.061 0.0167 . . 177 ALA N 18257 1 149 . 1 1 197 197 LEU N N 15 1.013 0.0413 . . 178 LEU N 18257 1 150 . 1 1 198 198 GLY N N 15 1.083 0.0258 . . 179 GLY N 18257 1 151 . 1 1 199 199 GLU N N 15 1.012 0.0105 . . 180 GLU N 18257 1 152 . 1 1 200 200 LEU N N 15 1.046 0.0087 . . 181 LEU N 18257 1 153 . 1 1 201 201 ALA N N 15 1.059 0.0165 . . 182 ALA N 18257 1 154 . 1 1 202 202 ARG N N 15 1.072 0.0117 . . 183 ARG N 18257 1 155 . 1 1 203 203 LEU N N 15 1.019 0.0143 . . 184 LEU N 18257 1 156 . 1 1 204 204 THR N N 15 1.053 0.00682 . . 185 THR N 18257 1 157 . 1 1 205 205 LEU N N 15 0.9679 0.18 . . 186 LEU N 18257 1 158 . 1 1 206 206 ALA N N 15 1.05 0.00662 . . 187 ALA N 18257 1 159 . 1 1 207 207 GLN N N 15 1.069 0.0124 . . 188 GLN N 18257 1 160 . 1 1 208 208 TRP N N 15 1.059 0.0226 . . 189 TRP N 18257 1 161 . 1 1 209 209 GLN N N 15 1.067 0.0142 . . 190 GLN N 18257 1 162 . 1 1 210 210 SER N N 15 1.093 0.0193 . . 191 SER N 18257 1 163 . 1 1 211 211 GLN N N 15 1.017 0.0136 . . 192 GLN N 18257 1 164 . 1 1 212 212 LEU N N 15 1.034 0.00652 . . 193 LEU N 18257 1 165 . 1 1 213 213 LEU N N 15 1.01 0.0298 . . 194 LEU N 18257 1 166 . 1 1 214 214 ILE N N 15 1.061 0.0201 . . 195 ILE N 18257 1 167 . 1 1 216 216 VAL N N 15 1.079 0.00748 . . 197 VAL N 18257 1 168 . 1 1 217 217 ALA N N 15 0.9593 0.0105 . . 198 ALA N 18257 1 169 . 1 1 218 218 VAL N N 15 1.126 0.00648 . . 199 VAL N 18257 1 170 . 1 1 219 219 LYS N N 15 1.178 0.00867 . . 200 LYS N 18257 1 171 . 1 1 221 221 LEU N N 15 1.1 0.0194 . . 202 LEU N 18257 1 172 . 1 1 222 222 PHE N N 15 0.9762 0.0237 . . 203 PHE N 18257 1 173 . 1 1 223 223 ARG N N 15 1.087 0.0123 . . 204 ARG N 18257 1 stop_ save_ save_alternate_conform_T1_list _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode alternate_conform_T1_list _Heteronucl_T1_list.Entry_ID 18257 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type NzHz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details 'Amide 15N T1' _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 18257 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 90 90 ALA N N 15 1.008 0.00555 . . 71 ALA N 18257 2 2 . 1 1 91 91 TRP N N 15 0.9623 0.009 . . 72 TRP N 18257 2 3 . 1 1 92 92 GLN N N 15 1.017 0.047 . . 73 GLN N 18257 2 4 . 1 1 103 103 SER N N 15 1.104 0.0834 . . 84 SER N 18257 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 18257 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type I(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'amide 15N T2' _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 18257 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 20 20 MET N N 15 0.06961 0.0169 . . . . 1 MET N 18257 1 2 . 1 1 21 21 THR N N 15 0.08627 0.00186 . . . . 2 THR N 18257 1 3 . 1 1 22 22 HIS N N 15 0.03494 0.0043 . . . . 3 HIS N 18257 1 4 . 1 1 23 23 PHE N N 15 0.1227 0.0302 . . . . 4 PHE N 18257 1 5 . 1 1 26 26 GLN N N 15 0.01614 0.00339 . . . . 7 GLN N 18257 1 6 . 1 1 27 27 ASP N N 15 0.04525 0.000949 . . . . 8 ASP N 18257 1 7 . 1 1 28 28 ASN N N 15 0.02269 0.000764 . . . . 9 ASN N 18257 1 8 . 1 1 29 29 PHE N N 15 0.04426 0.000234 . . . . 10 PHE N 18257 1 9 . 1 1 30 30 SER N N 15 0.03687 0.000999 . . . . 11 SER N 18257 1 10 . 1 1 31 31 VAL N N 15 0.04798 0.000609 . . . . 12 VAL N 18257 1 11 . 1 1 32 32 ALA N N 15 0.04482 0.00204 . . . . 13 ALA N 18257 1 12 . 1 1 33 33 ALA N N 15 0.04618 0.000711 . . . . 14 ALA N 18257 1 13 . 1 1 34 34 ARG N N 15 0.04778 0.00059 . . . . 15 ARG N 18257 1 14 . 1 1 35 35 VAL N N 15 0.1009 0.0244 . . . . 16 VAL N 18257 1 15 . 1 1 36 36 LEU N N 15 0.04596 0.00168 . . . . 17 LEU N 18257 1 16 . 1 1 37 37 GLY N N 15 0.04341 0.000682 . . . . 18 GLY N 18257 1 17 . 1 1 38 38 ALA N N 15 0.05687 0.00167 . . . . 19 ALA N 18257 1 18 . 1 1 39 39 LEU N N 15 0.05025 0.000846 . . . . 20 LEU N 18257 1 19 . 1 1 40 40 PHE N N 15 0.04806 0.00113 . . . . 21 PHE N 18257 1 20 . 1 1 41 41 TYR N N 15 0.04638 0.0024 . . . . 22 TYR N 18257 1 21 . 1 1 42 42 TYR N N 15 0.04748 0.000311 . . . . 23 TYR N 18257 1 22 . 1 1 43 43 ALA N N 15 0.0591 0.000736 . . . . 24 ALA N 18257 1 23 . 1 1 45 45 GLU N N 15 0.04976 0.00144 . . . . 26 GLU N 18257 1 24 . 1 1 46 46 SER N N 15 0.05198 0.000173 . . . . 27 SER N 18257 1 25 . 1 1 47 47 ALA N N 15 0.05859 0.00024 . . . . 28 ALA N 18257 1 26 . 1 1 48 48 GLU N N 15 0.05527 0.000556 . . . . 29 GLU N 18257 1 27 . 1 1 49 49 ALA N N 15 0.05579 0.000405 . . . . 30 ALA N 18257 1 28 . 1 1 50 50 ALA N N 15 0.05689 0.000476 . . . . 31 ALA N 18257 1 29 . 1 1 52 52 LEU N N 15 0.05372 0.00263 . . . . 33 LEU N 18257 1 30 . 1 1 53 53 VAL N N 15 0.05548 0.000788 . . . . 34 VAL N 18257 1 31 . 1 1 54 54 ALA N N 15 0.05269 0.000288 . . . . 35 ALA N 18257 1 32 . 1 1 55 55 VAL N N 15 0.05523 0.00046 . . . . 36 VAL N 18257 1 33 . 1 1 56 56 LEU N N 15 0.05197 0.000578 . . . . 37 LEU N 18257 1 34 . 1 1 57 57 THR N N 15 0.05271 0.000405 . . . . 38 THR N 18257 1 35 . 1 1 58 58 SER N N 15 0.05289 0.000212 . . . . 39 SER N 18257 1 36 . 1 1 59 59 ASP N N 15 0.06427 0.000241 . . . . 40 ASP N 18257 1 37 . 1 1 60 60 GLY N N 15 0.07693 0.00326 . . . . 41 GLY N 18257 1 38 . 1 1 61 61 TRP N N 15 0.05037 0.00012 . . . . 42 TRP N 18257 1 39 . 1 1 62 62 GLU N N 15 0.06193 0.000951 . . . . 43 GLU N 18257 1 40 . 1 1 63 63 THR N N 15 0.05475 0.000232 . . . . 44 THR N 18257 1 41 . 1 1 64 64 GLN N N 15 0.04885 0.00063 . . . . 45 GLN N 18257 1 42 . 1 1 65 65 TRP N N 15 0.05779 0.00129 . . . . 46 TRP N 18257 1 43 . 1 1 67 67 LEU N N 15 0.05685 0.00204 . . . . 48 LEU N 18257 1 44 . 1 1 69 69 GLU N N 15 0.05938 0.000672 . . . . 50 GLU N 18257 1 45 . 1 1 70 70 ALA N N 15 0.0532 0.000146 . . . . 51 ALA N 18257 1 46 . 1 1 71 71 SER N N 15 0.05946 0.000926 . . . . 52 SER N 18257 1 47 . 1 1 72 72 LEU N N 15 0.05523 0.000275 . . . . 53 LEU N 18257 1 48 . 1 1 73 73 ALA N N 15 0.05113 0.000644 . . . . 54 ALA N 18257 1 49 . 1 1 75 75 LEU N N 15 0.05003 0.00039 . . . . 56 LEU N 18257 1 50 . 1 1 76 76 VAL N N 15 0.04975 0.000996 . . . . 57 VAL N 18257 1 51 . 1 1 77 77 THR N N 15 0.06067 0.000556 . . . . 58 THR N 18257 1 52 . 1 1 78 78 ALA N N 15 0.05508 0.0004 . . . . 59 ALA N 18257 1 53 . 1 1 79 79 PHE N N 15 0.05499 0.000113 . . . . 60 PHE N 18257 1 54 . 1 1 80 80 GLN N N 15 0.05961 0.000166 . . . . 61 GLN N 18257 1 55 . 1 1 81 81 THR N N 15 0.05296 0.000193 . . . . 62 THR N 18257 1 56 . 1 1 82 82 GLN N N 15 0.06623 0.000277 . . . . 63 GLN N 18257 1 57 . 1 1 83 83 CYS N N 15 0.07068 0.000343 . . . . 64 CYS N 18257 1 58 . 1 1 84 84 GLU N N 15 0.06711 0.00026 . . . . 65 GLU N 18257 1 59 . 1 1 85 85 GLU N N 15 0.05875 0.00113 . . . . 66 GLU N 18257 1 60 . 1 1 86 86 THR N N 15 0.05237 0.000832 . . . . 67 THR N 18257 1 61 . 1 1 87 87 HIS N N 15 0.05013 0.000288 . . . . 68 HIS N 18257 1 62 . 1 1 88 88 ALA N N 15 0.07486 0.00777 . . . . 69 ALA N 18257 1 63 . 1 1 89 89 GLN N N 15 0.0507 0.000969 . . . . 70 GLN N 18257 1 64 . 1 1 90 90 ALA N N 15 0.05379 0.00324 . . . . 71 ALA N 18257 1 65 . 1 1 91 91 TRP N N 15 0.04812 0.000338 . . . . 72 TRP N 18257 1 66 . 1 1 92 92 GLN N N 15 0.0539 0.000921 . . . . 73 GLN N 18257 1 67 . 1 1 93 93 ARG N N 15 0.04893 0.00216 . . . . 74 ARG N 18257 1 68 . 1 1 94 94 LEU N N 15 0.04691 0.000629 . . . . 75 LEU N 18257 1 69 . 1 1 95 95 PHE N N 15 0.04762 0.00106 . . . . 76 PHE N 18257 1 70 . 1 1 99 99 TRP N N 15 0.06456 0.000336 . . . . 80 TRP N 18257 1 71 . 1 1 100 100 ALA N N 15 0.07952 0.00299 . . . . 81 ALA N 18257 1 72 . 1 1 101 101 LEU N N 15 0.05776 0.000723 . . . . 82 LEU N 18257 1 73 . 1 1 103 103 SER N N 15 0.06004 0.000614 . . . . 84 SER N 18257 1 74 . 1 1 108 108 SER N N 15 0.04536 0.000522 . . . . 89 SER N 18257 1 75 . 1 1 109 109 VAL N N 15 0.05506 0.000858 . . . . 90 VAL N 18257 1 76 . 1 1 110 110 TRP N N 15 0.05038 0.000422 . . . . 91 TRP N 18257 1 77 . 1 1 111 111 LEU N N 15 0.0422 0.000385 . . . . 92 LEU N 18257 1 78 . 1 1 112 112 ASP N N 15 0.1144 0.00868 . . . . 93 ASP N 18257 1 79 . 1 1 113 113 ARG N N 15 0.03243 0.00138 . . . . 94 ARG N 18257 1 80 . 1 1 114 114 GLU N N 15 0.04826 0.000282 . . . . 95 GLU N 18257 1 81 . 1 1 115 115 SER N N 15 0.0531 0.000571 . . . . 96 SER N 18257 1 82 . 1 1 119 119 GLY N N 15 0.04337 0.00849 . . . . 100 GLY N 18257 1 83 . 1 1 120 120 ASP N N 15 0.08052 0.00461 . . . . 101 ASP N 18257 1 84 . 1 1 121 121 SER N N 15 0.04187 0.00129 . . . . 102 SER N 18257 1 85 . 1 1 122 122 THR N N 15 0.0495 0.000386 . . . . 103 THR N 18257 1 86 . 1 1 123 123 LEU N N 15 0.04847 0.000994 . . . . 104 LEU N 18257 1 87 . 1 1 124 124 ALA N N 15 0.0573 0.00181 . . . . 105 ALA N 18257 1 88 . 1 1 125 125 LEU N N 15 0.05237 0.000382 . . . . 106 LEU N 18257 1 89 . 1 1 126 126 ARG N N 15 0.05131 0.00086 . . . . 107 ARG N 18257 1 90 . 1 1 127 127 GLN N N 15 0.05336 0.00142 . . . . 108 GLN N 18257 1 91 . 1 1 128 128 TRP N N 15 0.05129 0.000555 . . . . 109 TRP N 18257 1 92 . 1 1 129 129 MET N N 15 0.04632 0.000495 . . . . 110 MET N 18257 1 93 . 1 1 130 130 ARG N N 15 0.04723 0.000598 . . . . 111 ARG N 18257 1 94 . 1 1 131 131 GLU N N 15 0.05028 0.000968 . . . . 112 GLU N 18257 1 95 . 1 1 132 132 LYS N N 15 0.05106 0.00026 . . . . 113 LYS N 18257 1 96 . 1 1 133 133 GLY N N 15 0.05648 0.000154 . . . . 114 GLY N 18257 1 97 . 1 1 134 134 ILE N N 15 0.05541 0.00129 . . . . 115 ILE N 18257 1 98 . 1 1 135 135 GLN N N 15 0.05626 0.000543 . . . . 116 GLN N 18257 1 99 . 1 1 136 136 PHE N N 15 0.08906 0.000798 . . . . 117 PHE N 18257 1 100 . 1 1 137 137 GLU N N 15 0.07076 0.00113 . . . . 118 GLU N 18257 1 101 . 1 1 138 138 MET N N 15 0.0576 0.0021 . . . . 119 MET N 18257 1 102 . 1 1 139 139 LYS N N 15 0.04833 0.000933 . . . . 120 LYS N 18257 1 103 . 1 1 140 140 GLN N N 15 0.05774 0.0015 . . . . 121 GLN N 18257 1 104 . 1 1 141 141 ASN N N 15 0.06263 0.0033 . . . . 122 ASN N 18257 1 105 . 1 1 142 142 GLU N N 15 0.05 0.000322 . . . . 123 GLU N 18257 1 106 . 1 1 144 144 GLU N N 15 0.06525 0.00363 . . . . 125 GLU N 18257 1 107 . 1 1 145 145 ASP N N 15 0.0796 0.00149 . . . . 126 ASP N 18257 1 108 . 1 1 151 151 LEU N N 15 0.05022 0.00482 . . . . 132 LEU N 18257 1 109 . 1 1 152 152 LEU N N 15 0.06325 0.00372 . . . . 133 LEU N 18257 1 110 . 1 1 153 153 MET N N 15 0.05575 0.00656 . . . . 134 MET N 18257 1 111 . 1 1 154 154 ALA N N 15 0.05743 0.00213 . . . . 135 ALA N 18257 1 112 . 1 1 155 155 ALA N N 15 0.04603 0.00033 . . . . 136 ALA N 18257 1 113 . 1 1 156 156 TRP N N 15 0.04644 0.00164 . . . . 137 TRP N 18257 1 114 . 1 1 157 157 LEU N N 15 0.05112 0.00151 . . . . 138 LEU N 18257 1 115 . 1 1 158 158 ALA N N 15 0.05576 0.00234 . . . . 139 ALA N 18257 1 116 . 1 1 159 159 GLU N N 15 0.04029 0.00112 . . . . 140 GLU N 18257 1 117 . 1 1 160 160 ASN N N 15 0.05409 0.000535 . . . . 141 ASN N 18257 1 118 . 1 1 161 161 GLY N N 15 0.04944 0.000929 . . . . 142 GLY N 18257 1 119 . 1 1 162 162 ARG N N 15 0.05435 0.000769 . . . . 143 ARG N 18257 1 120 . 1 1 163 163 GLN N N 15 0.04746 0.000982 . . . . 144 GLN N 18257 1 121 . 1 1 164 164 THR N N 15 0.09411 0.0038 . . . . 145 THR N 18257 1 122 . 1 1 165 165 GLU N N 15 0.04456 0.000846 . . . . 146 GLU N 18257 1 123 . 1 1 166 166 CYS N N 15 0.04213 0.000784 . . . . 147 CYS N 18257 1 124 . 1 1 167 167 GLU N N 15 0.04669 0.000564 . . . . 148 GLU N 18257 1 125 . 1 1 168 168 GLU N N 15 0.04936 0.00194 . . . . 149 GLU N 18257 1 126 . 1 1 169 169 LEU N N 15 0.04583 0.000309 . . . . 150 LEU N 18257 1 127 . 1 1 170 170 LEU N N 15 0.04362 0.0012 . . . . 151 LEU N 18257 1 128 . 1 1 171 171 ALA N N 15 0.04634 0.000669 . . . . 152 ALA N 18257 1 129 . 1 1 172 172 TRP N N 15 0.05022 0.00169 . . . . 153 TRP N 18257 1 130 . 1 1 177 177 TRP N N 15 0.06525 0.00608 . . . . 158 TRP N 18257 1 131 . 1 1 178 178 SER N N 15 0.04913 0.000628 . . . . 159 SER N 18257 1 132 . 1 1 179 179 THR N N 15 0.04986 0.000459 . . . . 160 THR N 18257 1 133 . 1 1 180 180 ARG N N 15 0.05079 0.000271 . . . . 161 ARG N 18257 1 134 . 1 1 181 181 PHE N N 15 0.04621 0.000706 . . . . 162 PHE N 18257 1 135 . 1 1 182 182 LEU N N 15 0.04707 0.000496 . . . . 163 LEU N 18257 1 136 . 1 1 183 183 ASP N N 15 0.0434 0.00104 . . . . 164 ASP N 18257 1 137 . 1 1 184 184 VAL N N 15 0.04869 0.000555 . . . . 165 VAL N 18257 1 138 . 1 1 185 185 PHE N N 15 0.04586 0.000273 . . . . 166 PHE N 18257 1 139 . 1 1 186 186 ILE N N 15 0.0508 0.000497 . . . . 167 ILE N 18257 1 140 . 1 1 187 187 GLU N N 15 0.05005 0.000498 . . . . 168 GLU N 18257 1 141 . 1 1 188 188 LYS N N 15 0.0547 0.000821 . . . . 169 LYS N 18257 1 142 . 1 1 189 189 ALA N N 15 0.05365 0.000821 . . . . 170 ALA N 18257 1 143 . 1 1 190 190 GLU N N 15 0.05808 0.00121 . . . . 171 GLU N 18257 1 144 . 1 1 191 191 HIS N N 15 0.08947 0.000989 . . . . 172 HIS N 18257 1 145 . 1 1 193 193 PHE N N 15 0.04851 0.000835 . . . . 174 PHE N 18257 1 146 . 1 1 194 194 TYR N N 15 0.05306 0.000808 . . . . 175 TYR N 18257 1 147 . 1 1 195 195 ARG N N 15 0.04933 0.000419 . . . . 176 ARG N 18257 1 148 . 1 1 196 196 ALA N N 15 0.05306 0.000424 . . . . 177 ALA N 18257 1 149 . 1 1 197 197 LEU N N 15 0.04852 0.00057 . . . . 178 LEU N 18257 1 150 . 1 1 198 198 GLY N N 15 0.04682 0.00125 . . . . 179 GLY N 18257 1 151 . 1 1 199 199 GLU N N 15 0.05794 0.000543 . . . . 180 GLU N 18257 1 152 . 1 1 200 200 LEU N N 15 0.04965 0.000761 . . . . 181 LEU N 18257 1 153 . 1 1 201 201 ALA N N 15 0.0479 0.000753 . . . . 182 ALA N 18257 1 154 . 1 1 202 202 ARG N N 15 0.0464 0.000852 . . . . 183 ARG N 18257 1 155 . 1 1 203 203 LEU N N 15 0.04842 0.000357 . . . . 184 LEU N 18257 1 156 . 1 1 204 204 THR N N 15 0.04831 0.00155 . . . . 185 THR N 18257 1 157 . 1 1 205 205 LEU N N 15 0.0471 0.000439 . . . . 186 LEU N 18257 1 158 . 1 1 206 206 ALA N N 15 0.04093 0.000433 . . . . 187 ALA N 18257 1 159 . 1 1 207 207 GLN N N 15 0.0453 0.000621 . . . . 188 GLN N 18257 1 160 . 1 1 208 208 TRP N N 15 0.05272 0.000839 . . . . 189 TRP N 18257 1 161 . 1 1 209 209 GLN N N 15 0.0445 0.000475 . . . . 190 GLN N 18257 1 162 . 1 1 210 210 SER N N 15 0.04823 0.000935 . . . . 191 SER N 18257 1 163 . 1 1 211 211 GLN N N 15 0.04816 0.00089 . . . . 192 GLN N 18257 1 164 . 1 1 212 212 LEU N N 15 0.05134 9.67e-05 . . . . 193 LEU N 18257 1 165 . 1 1 213 213 LEU N N 15 0.05091 0.000673 . . . . 194 LEU N 18257 1 166 . 1 1 214 214 ILE N N 15 0.05519 0.00108 . . . . 195 ILE N 18257 1 167 . 1 1 216 216 VAL N N 15 0.05585 0.00201 . . . . 197 VAL N 18257 1 168 . 1 1 217 217 ALA N N 15 0.05061 0.000456 . . . . 198 ALA N 18257 1 169 . 1 1 218 218 VAL N N 15 0.06505 0.00106 . . . . 199 VAL N 18257 1 170 . 1 1 219 219 LYS N N 15 0.06926 0.00231 . . . . 200 LYS N 18257 1 171 . 1 1 221 221 LEU N N 15 0.05313 0.000146 . . . . 202 LEU N 18257 1 172 . 1 1 222 222 PHE N N 15 0.05262 0.000128 . . . . 203 PHE N 18257 1 173 . 1 1 223 223 ARG N N 15 0.05517 0.000387 . . . . 204 ARG N 18257 1 stop_ save_ save_alternate_conform_T2_list _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode alternate_conform_T2_list _Heteronucl_T2_list.Entry_ID 18257 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type NzHz _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'amide 15N T2' _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 18257 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 90 90 ALA N N 15 0.06321 0.000719 . . . . 71 ALA N 18257 2 2 . 1 1 91 91 TRP N N 15 0.04933 0.000285 . . . . 72 TRP N 18257 2 3 . 1 1 92 92 GLN N N 15 0.05216 0.00126 . . . . 73 GLN N 18257 2 4 . 1 1 103 103 SER N N 15 0.0578 0.00204 . . . . 84 SER N 18257 2 stop_ save_