data_30101 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30101 _Entry.Title ; Structural characterization of melanoregulin (mreg): the protein involved in regulation of cell pigmentation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-06-03 _Entry.Accession_date 2016-06-03 _Entry.Last_release_date 2016-06-08 _Entry.Original_release_date 2016-06-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 A. Rout A. K. . . 30101 2 G. Bermejo G. . . . 30101 3 S. Marie-Paule S. . . . 30101 4 J. Hammer J. A. III . 30101 5 N. Tjandra N. . . . 30101 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'TRANSPORT PROTEIN' . 30101 'alpha helical' . 30101 'cellular pigmentation' . 30101 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30101 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 533 30101 '15N chemical shifts' 151 30101 '1H chemical shifts' 676 30101 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-06-02 . original BMRB . 30101 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5KBO 'BMRB Entry Tracking System' 30101 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30101 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structural characterization of melanoregulin (MREG): the protein involved in regulation of cell pigmentation ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 A. Rout A. K. . . 30101 1 2 G. Bermejo G. . . . 30101 1 3 X. Wu X. . . . 30101 1 4 S. Marie-Paule S. . . . 30101 1 5 J. Hammer J. A. III . 30101 1 6 N. Tjandra N. . . . 30101 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30101 _Assembly.ID 1 _Assembly.Name Melanoregulin _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 entity_1 1 $entity_1 A A yes . . . . . . 30101 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30101 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Melanoregulin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EFSAGLRRWLRSACCCCPCR CLEEPARPEKEPLVSGNNPY SSFGATLERDDEKNLWSMPH DVSHTEADDDRILYNLIVIR NQQTKDSEEWQRLNYDIYTL RQIRREVRNRWRRILEDLGF QREADSLLSVTKLSTMSDSK NTRKAREMLLKLAEETSIFP ASWELSERYLLVVDRLIALD AAEDFFKIASQMYPKKPGVP CLVDGQRKLHCLPFPSP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 217 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues 2-214' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 25348.918 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Dilute suppressor protein' na 30101 1 'Whn-dependent transcript 2' na 30101 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -2 GLU . 30101 1 2 -1 PHE . 30101 1 3 0 SER . 30101 1 4 1 ALA . 30101 1 5 2 GLY . 30101 1 6 3 LEU . 30101 1 7 4 ARG . 30101 1 8 5 ARG . 30101 1 9 6 TRP . 30101 1 10 7 LEU . 30101 1 11 8 ARG . 30101 1 12 9 SER . 30101 1 13 10 ALA . 30101 1 14 11 CYS . 30101 1 15 12 CYS . 30101 1 16 13 CYS . 30101 1 17 14 CYS . 30101 1 18 15 PRO . 30101 1 19 16 CYS . 30101 1 20 17 ARG . 30101 1 21 18 CYS . 30101 1 22 19 LEU . 30101 1 23 20 GLU . 30101 1 24 21 GLU . 30101 1 25 22 PRO . 30101 1 26 23 ALA . 30101 1 27 24 ARG . 30101 1 28 25 PRO . 30101 1 29 26 GLU . 30101 1 30 27 LYS . 30101 1 31 28 GLU . 30101 1 32 29 PRO . 30101 1 33 30 LEU . 30101 1 34 31 VAL . 30101 1 35 32 SER . 30101 1 36 33 GLY . 30101 1 37 34 ASN . 30101 1 38 35 ASN . 30101 1 39 36 PRO . 30101 1 40 37 TYR . 30101 1 41 38 SER . 30101 1 42 39 SER . 30101 1 43 40 PHE . 30101 1 44 41 GLY . 30101 1 45 42 ALA . 30101 1 46 43 THR . 30101 1 47 44 LEU . 30101 1 48 45 GLU . 30101 1 49 46 ARG . 30101 1 50 47 ASP . 30101 1 51 48 ASP . 30101 1 52 49 GLU . 30101 1 53 50 LYS . 30101 1 54 51 ASN . 30101 1 55 52 LEU . 30101 1 56 53 TRP . 30101 1 57 54 SER . 30101 1 58 55 MET . 30101 1 59 56 PRO . 30101 1 60 57 HIS . 30101 1 61 58 ASP . 30101 1 62 59 VAL . 30101 1 63 60 SER . 30101 1 64 61 HIS . 30101 1 65 62 THR . 30101 1 66 63 GLU . 30101 1 67 64 ALA . 30101 1 68 65 ASP . 30101 1 69 66 ASP . 30101 1 70 67 ASP . 30101 1 71 68 ARG . 30101 1 72 69 ILE . 30101 1 73 70 LEU . 30101 1 74 71 TYR . 30101 1 75 72 ASN . 30101 1 76 73 LEU . 30101 1 77 74 ILE . 30101 1 78 75 VAL . 30101 1 79 76 ILE . 30101 1 80 77 ARG . 30101 1 81 78 ASN . 30101 1 82 79 GLN . 30101 1 83 80 GLN . 30101 1 84 81 THR . 30101 1 85 82 LYS . 30101 1 86 83 ASP . 30101 1 87 84 SER . 30101 1 88 85 GLU . 30101 1 89 86 GLU . 30101 1 90 87 TRP . 30101 1 91 88 GLN . 30101 1 92 89 ARG . 30101 1 93 90 LEU . 30101 1 94 91 ASN . 30101 1 95 92 TYR . 30101 1 96 93 ASP . 30101 1 97 94 ILE . 30101 1 98 95 TYR . 30101 1 99 96 THR . 30101 1 100 97 LEU . 30101 1 101 98 ARG . 30101 1 102 99 GLN . 30101 1 103 100 ILE . 30101 1 104 101 ARG . 30101 1 105 102 ARG . 30101 1 106 103 GLU . 30101 1 107 104 VAL . 30101 1 108 105 ARG . 30101 1 109 106 ASN . 30101 1 110 107 ARG . 30101 1 111 108 TRP . 30101 1 112 109 ARG . 30101 1 113 110 ARG . 30101 1 114 111 ILE . 30101 1 115 112 LEU . 30101 1 116 113 GLU . 30101 1 117 114 ASP . 30101 1 118 115 LEU . 30101 1 119 116 GLY . 30101 1 120 117 PHE . 30101 1 121 118 GLN . 30101 1 122 119 ARG . 30101 1 123 120 GLU . 30101 1 124 121 ALA . 30101 1 125 122 ASP . 30101 1 126 123 SER . 30101 1 127 124 LEU . 30101 1 128 125 LEU . 30101 1 129 126 SER . 30101 1 130 127 VAL . 30101 1 131 128 THR . 30101 1 132 129 LYS . 30101 1 133 130 LEU . 30101 1 134 131 SER . 30101 1 135 132 THR . 30101 1 136 133 MET . 30101 1 137 134 SER . 30101 1 138 135 ASP . 30101 1 139 136 SER . 30101 1 140 137 LYS . 30101 1 141 138 ASN . 30101 1 142 139 THR . 30101 1 143 140 ARG . 30101 1 144 141 LYS . 30101 1 145 142 ALA . 30101 1 146 143 ARG . 30101 1 147 144 GLU . 30101 1 148 145 MET . 30101 1 149 146 LEU . 30101 1 150 147 LEU . 30101 1 151 148 LYS . 30101 1 152 149 LEU . 30101 1 153 150 ALA . 30101 1 154 151 GLU . 30101 1 155 152 GLU . 30101 1 156 153 THR . 30101 1 157 154 SER . 30101 1 158 155 ILE . 30101 1 159 156 PHE . 30101 1 160 157 PRO . 30101 1 161 158 ALA . 30101 1 162 159 SER . 30101 1 163 160 TRP . 30101 1 164 161 GLU . 30101 1 165 162 LEU . 30101 1 166 163 SER . 30101 1 167 164 GLU . 30101 1 168 165 ARG . 30101 1 169 166 TYR . 30101 1 170 167 LEU . 30101 1 171 168 LEU . 30101 1 172 169 VAL . 30101 1 173 170 VAL . 30101 1 174 171 ASP . 30101 1 175 172 ARG . 30101 1 176 173 LEU . 30101 1 177 174 ILE . 30101 1 178 175 ALA . 30101 1 179 176 LEU . 30101 1 180 177 ASP . 30101 1 181 178 ALA . 30101 1 182 179 ALA . 30101 1 183 180 GLU . 30101 1 184 181 ASP . 30101 1 185 182 PHE . 30101 1 186 183 PHE . 30101 1 187 184 LYS . 30101 1 188 185 ILE . 30101 1 189 186 ALA . 30101 1 190 187 SER . 30101 1 191 188 GLN . 30101 1 192 189 MET . 30101 1 193 190 TYR . 30101 1 194 191 PRO . 30101 1 195 192 LYS . 30101 1 196 193 LYS . 30101 1 197 194 PRO . 30101 1 198 195 GLY . 30101 1 199 196 VAL . 30101 1 200 197 PRO . 30101 1 201 198 CYS . 30101 1 202 199 LEU . 30101 1 203 200 VAL . 30101 1 204 201 ASP . 30101 1 205 202 GLY . 30101 1 206 203 GLN . 30101 1 207 204 ARG . 30101 1 208 205 LYS . 30101 1 209 206 LEU . 30101 1 210 207 HIS . 30101 1 211 208 CYS . 30101 1 212 209 LEU . 30101 1 213 210 PRO . 30101 1 214 211 PHE . 30101 1 215 212 PRO . 30101 1 216 213 SER . 30101 1 217 214 PRO . 30101 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 . GLU 1 1 30101 1 . PHE 2 2 30101 1 . SER 3 3 30101 1 . ALA 4 4 30101 1 . GLY 5 5 30101 1 . LEU 6 6 30101 1 . ARG 7 7 30101 1 . ARG 8 8 30101 1 . TRP 9 9 30101 1 . LEU 10 10 30101 1 . ARG 11 11 30101 1 . SER 12 12 30101 1 . ALA 13 13 30101 1 . CYS 14 14 30101 1 . CYS 15 15 30101 1 . CYS 16 16 30101 1 . CYS 17 17 30101 1 . PRO 18 18 30101 1 . CYS 19 19 30101 1 . ARG 20 20 30101 1 . CYS 21 21 30101 1 . LEU 22 22 30101 1 . GLU 23 23 30101 1 . GLU 24 24 30101 1 . PRO 25 25 30101 1 . ALA 26 26 30101 1 . ARG 27 27 30101 1 . PRO 28 28 30101 1 . GLU 29 29 30101 1 . LYS 30 30 30101 1 . GLU 31 31 30101 1 . PRO 32 32 30101 1 . LEU 33 33 30101 1 . VAL 34 34 30101 1 . SER 35 35 30101 1 . GLY 36 36 30101 1 . ASN 37 37 30101 1 . ASN 38 38 30101 1 . PRO 39 39 30101 1 . TYR 40 40 30101 1 . SER 41 41 30101 1 . SER 42 42 30101 1 . PHE 43 43 30101 1 . GLY 44 44 30101 1 . ALA 45 45 30101 1 . THR 46 46 30101 1 . LEU 47 47 30101 1 . GLU 48 48 30101 1 . ARG 49 49 30101 1 . ASP 50 50 30101 1 . ASP 51 51 30101 1 . GLU 52 52 30101 1 . LYS 53 53 30101 1 . ASN 54 54 30101 1 . LEU 55 55 30101 1 . TRP 56 56 30101 1 . SER 57 57 30101 1 . MET 58 58 30101 1 . PRO 59 59 30101 1 . HIS 60 60 30101 1 . ASP 61 61 30101 1 . VAL 62 62 30101 1 . SER 63 63 30101 1 . HIS 64 64 30101 1 . THR 65 65 30101 1 . GLU 66 66 30101 1 . ALA 67 67 30101 1 . ASP 68 68 30101 1 . ASP 69 69 30101 1 . ASP 70 70 30101 1 . ARG 71 71 30101 1 . ILE 72 72 30101 1 . LEU 73 73 30101 1 . TYR 74 74 30101 1 . ASN 75 75 30101 1 . LEU 76 76 30101 1 . ILE 77 77 30101 1 . VAL 78 78 30101 1 . ILE 79 79 30101 1 . ARG 80 80 30101 1 . ASN 81 81 30101 1 . GLN 82 82 30101 1 . GLN 83 83 30101 1 . THR 84 84 30101 1 . LYS 85 85 30101 1 . ASP 86 86 30101 1 . SER 87 87 30101 1 . GLU 88 88 30101 1 . GLU 89 89 30101 1 . TRP 90 90 30101 1 . GLN 91 91 30101 1 . ARG 92 92 30101 1 . LEU 93 93 30101 1 . ASN 94 94 30101 1 . TYR 95 95 30101 1 . ASP 96 96 30101 1 . ILE 97 97 30101 1 . TYR 98 98 30101 1 . THR 99 99 30101 1 . LEU 100 100 30101 1 . ARG 101 101 30101 1 . GLN 102 102 30101 1 . ILE 103 103 30101 1 . ARG 104 104 30101 1 . ARG 105 105 30101 1 . GLU 106 106 30101 1 . VAL 107 107 30101 1 . ARG 108 108 30101 1 . ASN 109 109 30101 1 . ARG 110 110 30101 1 . TRP 111 111 30101 1 . ARG 112 112 30101 1 . ARG 113 113 30101 1 . ILE 114 114 30101 1 . LEU 115 115 30101 1 . GLU 116 116 30101 1 . ASP 117 117 30101 1 . LEU 118 118 30101 1 . GLY 119 119 30101 1 . PHE 120 120 30101 1 . GLN 121 121 30101 1 . ARG 122 122 30101 1 . GLU 123 123 30101 1 . ALA 124 124 30101 1 . ASP 125 125 30101 1 . SER 126 126 30101 1 . LEU 127 127 30101 1 . LEU 128 128 30101 1 . SER 129 129 30101 1 . VAL 130 130 30101 1 . THR 131 131 30101 1 . LYS 132 132 30101 1 . LEU 133 133 30101 1 . SER 134 134 30101 1 . THR 135 135 30101 1 . MET 136 136 30101 1 . SER 137 137 30101 1 . ASP 138 138 30101 1 . SER 139 139 30101 1 . LYS 140 140 30101 1 . ASN 141 141 30101 1 . THR 142 142 30101 1 . ARG 143 143 30101 1 . LYS 144 144 30101 1 . ALA 145 145 30101 1 . ARG 146 146 30101 1 . GLU 147 147 30101 1 . MET 148 148 30101 1 . LEU 149 149 30101 1 . LEU 150 150 30101 1 . LYS 151 151 30101 1 . LEU 152 152 30101 1 . ALA 153 153 30101 1 . GLU 154 154 30101 1 . GLU 155 155 30101 1 . THR 156 156 30101 1 . SER 157 157 30101 1 . ILE 158 158 30101 1 . PHE 159 159 30101 1 . PRO 160 160 30101 1 . ALA 161 161 30101 1 . SER 162 162 30101 1 . TRP 163 163 30101 1 . GLU 164 164 30101 1 . LEU 165 165 30101 1 . SER 166 166 30101 1 . GLU 167 167 30101 1 . ARG 168 168 30101 1 . TYR 169 169 30101 1 . LEU 170 170 30101 1 . LEU 171 171 30101 1 . VAL 172 172 30101 1 . VAL 173 173 30101 1 . ASP 174 174 30101 1 . ARG 175 175 30101 1 . LEU 176 176 30101 1 . ILE 177 177 30101 1 . ALA 178 178 30101 1 . LEU 179 179 30101 1 . ASP 180 180 30101 1 . ALA 181 181 30101 1 . ALA 182 182 30101 1 . GLU 183 183 30101 1 . ASP 184 184 30101 1 . PHE 185 185 30101 1 . PHE 186 186 30101 1 . LYS 187 187 30101 1 . ILE 188 188 30101 1 . ALA 189 189 30101 1 . SER 190 190 30101 1 . GLN 191 191 30101 1 . MET 192 192 30101 1 . TYR 193 193 30101 1 . PRO 194 194 30101 1 . LYS 195 195 30101 1 . LYS 196 196 30101 1 . PRO 197 197 30101 1 . GLY 198 198 30101 1 . VAL 199 199 30101 1 . PRO 200 200 30101 1 . CYS 201 201 30101 1 . LEU 202 202 30101 1 . VAL 203 203 30101 1 . ASP 204 204 30101 1 . GLY 205 205 30101 1 . GLN 206 206 30101 1 . ARG 207 207 30101 1 . LYS 208 208 30101 1 . LEU 209 209 30101 1 . HIS 210 210 30101 1 . CYS 211 211 30101 1 . LEU 212 212 30101 1 . PRO 213 213 30101 1 . PHE 214 214 30101 1 . PRO 215 215 30101 1 . SER 216 216 30101 1 . PRO 217 217 30101 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 30101 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . 'Mreg, Dsu, Gm974, Wdt2' . 30101 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 30101 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli-Pichia pastoris shuttle vector pPpARG4' . . 1182032 . . . . . . . . . . . . 30101 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30101 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.150 mM [U-99% 15N] melanoregulin, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 melanoregulin '[U-99% 15N]' . . 1 $entity_1 . . 0.150 . . mM . . . . 30101 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30101 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30101 1 4 L-Arginine 'natural abundance' . . . . . . 5 . . mM . . . . 30101 1 5 L-Glutamine 'natural abundance' . . . . . . 5 . . mM . . . . 30101 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30101 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.150 mM [U-99% 13C; U-99% 15N] melanoregulin, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 melanoregulin '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.150 . . mM . . . . 30101 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30101 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30101 2 4 L-Arginine 'natural abundance' . . . . . . 5 . . mM . . . . 30101 2 5 L-Glutamine 'natural abundance' . . . . . . 5 . . mM . . . . 30101 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 30101 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.150 mM U-15;U-13C;U-2H melanoregulin, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 melanoregulin U-15;U-13C;U-2H . . 1 $entity_1 . . 0.150 . . mM . . . . 30101 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30101 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30101 3 4 L-Arginine 'natural abundance' . . . . . . 5 . . mM . . . . 30101 3 5 L-Glutamine 'natural abundance' . . . . . . 5 . . mM . . . . 30101 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 30101 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.150 mM 15N/13C/2H/ILV-CH3 melanoregulin, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 melanoregulin 15N/13C/2H/ILV-CH3 . . 1 $entity_1 . . 0.150 . . mM . . . . 30101 4 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 30101 4 3 L-Arginine 'natural abundance' . . . . . . 5 . . mM . . . . 30101 4 4 L-Glutamine 'natural abundance' . . . . . . 5 . . mM . . . . 30101 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 30101 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.150 mM [U-99% 15N] melanoregulin, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 melanoregulin '[U-99% 15N]' . . 1 $entity_1 . . 0.150 . . mM . . . . 30101 5 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 30101 5 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 30101 5 4 L-Arginine 'natural abundance' . . . . . . 5 . . mM . . . . 30101 5 5 L-Glutamine 'natural abundance' . . . . . . 5 . . mM . . . . 30101 5 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 30101 _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' 10 0.2 mM 30101 1 pH 6.3 0.05 pH 30101 1 pressure 1 0.01 atm 30101 1 temperature 303 0.2 K 30101 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 30101 _Sample_condition_list.ID 2 _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' 10 . mM 30101 2 pH 6.3 0.05 pH 30101 2 pressure 1 . atm 30101 2 temperature 303 0.2 K 30101 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30101 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 30101 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30101 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30101 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30101 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30101 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30101 _Software.ID 3 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 30101 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30101 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30101 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30101 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30101 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30101 _Software.ID 5 _Software.Name XPLOR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G. Marius Clore , Guillermo Bermejo, , John Kuszewski, Charles D. Schwieters, and Nico Tjandra' . . 30101 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30101 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30101 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30101 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 30101 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 30101 _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 NMR_spectrometer_1 Bruker Avance . 900 . . . 30101 1 2 NMR_spectrometer_2 Bruker Avance . 800 . . . 30101 1 3 NMR_spectrometer_3 Bruker Avance . 600 . . . 30101 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 30101 _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 . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30101 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30101 1 3 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30101 1 4 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30101 1 5 '3D HN(CO)CACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30101 1 6 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30101 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 30101 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30101 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30101 1 10 '3D HMCMCBCA' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30101 1 11 '3D ILV-CH3 NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30101 1 12 '2D IPAP' no . . . . . . . . . . 1 $sample_1 anisotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30101 1 13 1H_T2 no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30101 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30101 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30101 1 H 1 DSS 'methyl protons' . . . . ppm 4.78 external direct 0.1 . . . . . 30101 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30101 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30101 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30101 1 3 '3D HNCO' . . . 30101 1 4 '3D HNCA' . . . 30101 1 5 '3D HN(CO)CACB' . . . 30101 1 6 '3D HNCACB' . . . 30101 1 7 '3D HBHA(CO)NH' . . . 30101 1 10 '3D HMCMCBCA' . . . 30101 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 30101 1 2 $software_2 . . 30101 1 3 $software_3 . . 30101 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 42 42 SER HA H 1 4.379 0.05 . 1 . . . A 39 SER HA . 30101 1 2 . 1 1 42 42 SER HB2 H 1 3.773 0.05 . 2 . . . A 39 SER HB2 . 30101 1 3 . 1 1 42 42 SER C C 13 174.413 0.50 . 1 . . . A 39 SER C . 30101 1 4 . 1 1 42 42 SER CA C 13 58.145 0.50 . 1 . . . A 39 SER CA . 30101 1 5 . 1 1 42 42 SER CB C 13 62.516 0.50 . 1 . . . A 39 SER CB . 30101 1 6 . 1 1 43 43 PHE H H 1 8.188 0.05 . 1 . . . A 40 PHE H . 30101 1 7 . 1 1 43 43 PHE HA H 1 4.555 0.05 . 1 . . . A 40 PHE HA . 30101 1 8 . 1 1 43 43 PHE HB2 H 1 3.119 0.05 . 2 . . . A 40 PHE HB2 . 30101 1 9 . 1 1 43 43 PHE HB3 H 1 3.043 0.05 . 2 . . . A 40 PHE HB3 . 30101 1 10 . 1 1 43 43 PHE C C 13 176.437 0.50 . 1 . . . A 40 PHE C . 30101 1 11 . 1 1 43 43 PHE CA C 13 57.805 0.50 . 1 . . . A 40 PHE CA . 30101 1 12 . 1 1 43 43 PHE CB C 13 38.284 0.50 . 1 . . . A 40 PHE CB . 30101 1 13 . 1 1 43 43 PHE N N 15 121.464 0.50 . 1 . . . A 40 PHE N . 30101 1 14 . 1 1 44 44 GLY H H 1 8.294 0.05 . 1 . . . A 41 GLY H . 30101 1 15 . 1 1 44 44 GLY HA2 H 1 4.529 0.05 . 2 . . . A 41 GLY HA2 . 30101 1 16 . 1 1 44 44 GLY HA3 H 1 3.845 0.05 . 2 . . . A 41 GLY HA3 . 30101 1 17 . 1 1 44 44 GLY C C 13 174.100 0.50 . 1 . . . A 41 GLY C . 30101 1 18 . 1 1 44 44 GLY CA C 13 45.034 0.50 . 1 . . . A 41 GLY CA . 30101 1 19 . 1 1 44 44 GLY N N 15 109.709 0.50 . 1 . . . A 41 GLY N . 30101 1 20 . 1 1 45 45 ALA H H 1 8.079 0.05 . 1 . . . A 42 ALA H . 30101 1 21 . 1 1 45 45 ALA HA H 1 4.340 0.05 . 1 . . . A 42 ALA HA . 30101 1 22 . 1 1 45 45 ALA HB1 H 1 1.394 0.05 . 1 . . . A 42 ALA HB1 . 30101 1 23 . 1 1 45 45 ALA HB2 H 1 1.394 0.05 . 1 . . . A 42 ALA HB2 . 30101 1 24 . 1 1 45 45 ALA HB3 H 1 1.394 0.05 . 1 . . . A 42 ALA HB3 . 30101 1 25 . 1 1 45 45 ALA C C 13 178.337 0.50 . 1 . . . A 42 ALA C . 30101 1 26 . 1 1 45 45 ALA CA C 13 52.314 0.50 . 1 . . . A 42 ALA CA . 30101 1 27 . 1 1 45 45 ALA CB C 13 18.384 0.50 . 1 . . . A 42 ALA CB . 30101 1 28 . 1 1 45 45 ALA N N 15 123.491 0.50 . 1 . . . A 42 ALA N . 30101 1 29 . 1 1 46 46 THR H H 1 8.073 0.05 . 1 . . . A 43 THR H . 30101 1 30 . 1 1 46 46 THR HA H 1 4.354 0.05 . 1 . . . A 43 THR HA . 30101 1 31 . 1 1 46 46 THR HB H 1 4.243 0.05 . 1 . . . A 43 THR HB . 30101 1 32 . 1 1 46 46 THR C C 13 175.037 0.05 . 1 . . . A 43 THR C . 30101 1 33 . 1 1 46 46 THR CA C 13 62.242 0.50 . 1 . . . A 43 THR CA . 30101 1 34 . 1 1 46 46 THR CB C 13 69.016 0.50 . 1 . . . A 43 THR CB . 30101 1 35 . 1 1 46 46 THR N N 15 113.085 0.50 . 1 . . . A 43 THR N . 30101 1 36 . 1 1 47 47 LEU H H 1 8.174 0.05 . 1 . . . A 44 LEU H . 30101 1 37 . 1 1 47 47 LEU HA H 1 4.278 0.05 . 1 . . . A 44 LEU HA . 30101 1 38 . 1 1 47 47 LEU HB2 H 1 1.605 0.05 . 2 . . . A 44 LEU HB2 . 30101 1 39 . 1 1 47 47 LEU HB3 H 1 1.368 0.05 . 2 . . . A 44 LEU HB3 . 30101 1 40 . 1 1 47 47 LEU HG H 1 0.901 0.05 . 1 . . . A 44 LEU HG . 30101 1 41 . 1 1 47 47 LEU HD11 H 1 0.857 0.05 . 1 . . . A 44 LEU HD11 . 30101 1 42 . 1 1 47 47 LEU HD12 H 1 0.857 0.05 . 1 . . . A 44 LEU HD12 . 30101 1 43 . 1 1 47 47 LEU HD13 H 1 0.857 0.05 . 1 . . . A 44 LEU HD13 . 30101 1 44 . 1 1 47 47 LEU C C 13 178.018 0.50 . 1 . . . A 44 LEU C . 30101 1 45 . 1 1 47 47 LEU CA C 13 55.444 0.50 . 1 . . . A 44 LEU CA . 30101 1 46 . 1 1 47 47 LEU CB C 13 40.919 0.50 . 1 . . . A 44 LEU CB . 30101 1 47 . 1 1 47 47 LEU CG C 13 28.714 0.50 . 1 . . . A 44 LEU CG . 30101 1 48 . 1 1 47 47 LEU CD1 C 13 24.644 0.50 . 1 . . . A 44 LEU CD1 . 30101 1 49 . 1 1 47 47 LEU N N 15 123.502 0.50 . 1 . . . A 44 LEU N . 30101 1 50 . 1 1 48 48 GLU H H 1 8.337 0.05 . 1 . . . A 45 GLU H . 30101 1 51 . 1 1 48 48 GLU HA H 1 4.235 0.05 . 1 . . . A 45 GLU HA . 30101 1 52 . 1 1 48 48 GLU HB2 H 1 1.984 0.05 . 2 . . . A 45 GLU HB2 . 30101 1 53 . 1 1 48 48 GLU C C 13 176.979 0.50 . 1 . . . A 45 GLU C . 30101 1 54 . 1 1 48 48 GLU CA C 13 56.915 0.50 . 1 . . . A 45 GLU CA . 30101 1 55 . 1 1 48 48 GLU CB C 13 28.816 0.50 . 1 . . . A 45 GLU CB . 30101 1 56 . 1 1 48 48 GLU N N 15 121.035 0.50 . 1 . . . A 45 GLU N . 30101 1 57 . 1 1 49 49 ARG H H 1 8.290 0.05 . 1 . . . A 46 ARG H . 30101 1 58 . 1 1 49 49 ARG HA H 1 4.212 0.05 . 1 . . . A 46 ARG HA . 30101 1 59 . 1 1 49 49 ARG HB2 H 1 1.684 0.05 . 2 . . . A 46 ARG HB2 . 30101 1 60 . 1 1 49 49 ARG HB3 H 1 1.579 0.05 . 2 . . . A 46 ARG HB3 . 30101 1 61 . 1 1 49 49 ARG C C 13 176.371 0.50 . 1 . . . A 46 ARG C . 30101 1 62 . 1 1 49 49 ARG CA C 13 56.639 0.50 . 1 . . . A 46 ARG CA . 30101 1 63 . 1 1 49 49 ARG CB C 13 28.788 0.50 . 1 . . . A 46 ARG CB . 30101 1 64 . 1 1 49 49 ARG N N 15 120.701 0.50 . 1 . . . A 46 ARG N . 30101 1 65 . 1 1 50 50 ASP H H 1 8.334 0.05 . 1 . . . A 47 ASP H . 30101 1 66 . 1 1 50 50 ASP CA C 13 55.471 0.50 . 1 . . . A 47 ASP CA . 30101 1 67 . 1 1 50 50 ASP CB C 13 41.050 0.50 . 1 . . . A 47 ASP CB . 30101 1 68 . 1 1 50 50 ASP N N 15 121.346 0.50 . 1 . . . A 47 ASP N . 30101 1 69 . 1 1 52 52 GLU HA H 1 3.962 0.05 . 1 . . . A 49 GLU HA . 30101 1 70 . 1 1 52 52 GLU C C 13 176.597 0.50 . 1 . . . A 49 GLU C . 30101 1 71 . 1 1 52 52 GLU CA C 13 57.167 0.50 . 1 . . . A 49 GLU CA . 30101 1 72 . 1 1 52 52 GLU CB C 13 32.042 0.50 . 1 . . . A 49 GLU CB . 30101 1 73 . 1 1 53 53 LYS H H 1 7.580 0.05 . 1 . . . A 50 LYS H . 30101 1 74 . 1 1 53 53 LYS HA H 1 4.000 0.05 . 1 . . . A 50 LYS HA . 30101 1 75 . 1 1 53 53 LYS HB2 H 1 1.684 0.05 . 2 . . . A 50 LYS HB2 . 30101 1 76 . 1 1 53 53 LYS C C 13 176.948 0.50 . 1 . . . A 50 LYS C . 30101 1 77 . 1 1 53 53 LYS CA C 13 57.478 0.50 . 1 . . . A 50 LYS CA . 30101 1 78 . 1 1 53 53 LYS CB C 13 32.042 0.50 . 1 . . . A 50 LYS CB . 30101 1 79 . 1 1 53 53 LYS N N 15 116.499 0.50 . 1 . . . A 50 LYS N . 30101 1 80 . 1 1 54 54 ASN H H 1 7.291 0.05 . 1 . . . A 51 ASN H . 30101 1 81 . 1 1 54 54 ASN HA H 1 4.547 0.05 . 1 . . . A 51 ASN HA . 30101 1 82 . 1 1 54 54 ASN CA C 13 53.541 0.50 . 1 . . . A 51 ASN CA . 30101 1 83 . 1 1 54 54 ASN CB C 13 38.259 0.50 . 1 . . . A 51 ASN CB . 30101 1 84 . 1 1 54 54 ASN N N 15 112.448 0.50 . 1 . . . A 51 ASN N . 30101 1 85 . 1 1 59 59 PRO HA H 1 3.994 0.05 . 1 . . . A 56 PRO HA . 30101 1 86 . 1 1 59 59 PRO C C 13 176.818 0.50 . 1 . . . A 56 PRO C . 30101 1 87 . 1 1 59 59 PRO CA C 13 63.943 0.50 . 1 . . . A 56 PRO CA . 30101 1 88 . 1 1 59 59 PRO CB C 13 30.983 0.50 . 1 . . . A 56 PRO CB . 30101 1 89 . 1 1 60 60 HIS H H 1 8.588 0.05 . 1 . . . A 57 HIS H . 30101 1 90 . 1 1 60 60 HIS HA H 1 4.370 0.05 . 1 . . . A 57 HIS HA . 30101 1 91 . 1 1 60 60 HIS HB2 H 1 3.659 0.05 . 2 . . . A 57 HIS HB2 . 30101 1 92 . 1 1 60 60 HIS C C 13 175.047 0.50 . 1 . . . A 57 HIS C . 30101 1 93 . 1 1 60 60 HIS CA C 13 56.915 0.50 . 1 . . . A 57 HIS CA . 30101 1 94 . 1 1 60 60 HIS CB C 13 27.845 0.50 . 1 . . . A 57 HIS CB . 30101 1 95 . 1 1 60 60 HIS N N 15 112.713 0.50 . 1 . . . A 57 HIS N . 30101 1 96 . 1 1 61 61 ASP H H 1 7.292 0.05 . 1 . . . A 58 ASP H . 30101 1 97 . 1 1 61 61 ASP HA H 1 4.594 0.05 . 1 . . . A 58 ASP HA . 30101 1 98 . 1 1 61 61 ASP HB2 H 1 2.764 0.05 . 2 . . . A 58 ASP HB2 . 30101 1 99 . 1 1 61 61 ASP C C 13 176.249 0.50 . 1 . . . A 58 ASP C . 30101 1 100 . 1 1 61 61 ASP CA C 13 51.566 0.50 . 1 . . . A 58 ASP CA . 30101 1 101 . 1 1 61 61 ASP CB C 13 39.704 0.50 . 1 . . . A 58 ASP CB . 30101 1 102 . 1 1 61 61 ASP N N 15 118.330 0.50 . 1 . . . A 58 ASP N . 30101 1 103 . 1 1 62 62 VAL H H 1 7.690 0.05 . 1 . . . A 59 VAL H . 30101 1 104 . 1 1 62 62 VAL HA H 1 3.199 0.05 . 1 . . . A 59 VAL HA . 30101 1 105 . 1 1 62 62 VAL HB H 1 1.961 0.05 . 1 . . . A 59 VAL HB . 30101 1 106 . 1 1 62 62 VAL HG11 H 1 0.833 0.05 . 1 . . . A 59 VAL HG11 . 30101 1 107 . 1 1 62 62 VAL HG12 H 1 0.833 0.05 . 1 . . . A 59 VAL HG12 . 30101 1 108 . 1 1 62 62 VAL HG13 H 1 0.833 0.05 . 1 . . . A 59 VAL HG13 . 30101 1 109 . 1 1 62 62 VAL C C 13 175.111 0.50 . 1 . . . A 59 VAL C . 30101 1 110 . 1 1 62 62 VAL CA C 13 62.258 0.50 . 1 . . . A 59 VAL CA . 30101 1 111 . 1 1 62 62 VAL CB C 13 29.692 0.50 . 1 . . . A 59 VAL CB . 30101 1 112 . 1 1 62 62 VAL CG1 C 13 21.438 0.50 . 1 . . . A 59 VAL CG1 . 30101 1 113 . 1 1 62 62 VAL N N 15 120.517 0.50 . 1 . . . A 59 VAL N . 30101 1 114 . 1 1 63 63 SER H H 1 7.444 0.05 . 1 . . . A 60 SER H . 30101 1 115 . 1 1 63 63 SER HA H 1 4.476 0.05 . 1 . . . A 60 SER HA . 30101 1 116 . 1 1 63 63 SER HB2 H 1 3.738 0.05 . 1 . . . A 60 SER HB2 . 30101 1 117 . 1 1 63 63 SER C C 13 173.717 0.50 . 1 . . . A 60 SER C . 30101 1 118 . 1 1 63 63 SER CA C 13 58.394 0.50 . 1 . . . A 60 SER CA . 30101 1 119 . 1 1 63 63 SER CB C 13 63.930 0.50 . 1 . . . A 60 SER CB . 30101 1 120 . 1 1 63 63 SER N N 15 114.278 0.50 . 1 . . . A 60 SER N . 30101 1 121 . 1 1 64 64 HIS H H 1 6.483 0.05 . 1 . . . A 61 HIS H . 30101 1 122 . 1 1 64 64 HIS HA H 1 3.844 0.05 . 1 . . . A 61 HIS HA . 30101 1 123 . 1 1 64 64 HIS HB2 H 1 3.080 0.05 . 2 . . . A 61 HIS HB2 . 30101 1 124 . 1 1 64 64 HIS C C 13 179.865 0.50 . 1 . . . A 61 HIS C . 30101 1 125 . 1 1 64 64 HIS CA C 13 54.489 0.50 . 1 . . . A 61 HIS CA . 30101 1 126 . 1 1 64 64 HIS CB C 13 24.439 0.50 . 1 . . . A 61 HIS CB . 30101 1 127 . 1 1 64 64 HIS N N 15 112.698 0.50 . 1 . . . A 61 HIS N . 30101 1 128 . 1 1 65 65 THR H H 1 8.061 0.05 . 1 . . . A 62 THR H . 30101 1 129 . 1 1 65 65 THR HA H 1 4.414 0.05 . 1 . . . A 62 THR HA . 30101 1 130 . 1 1 65 65 THR HB H 1 4.002 0.05 . 2 . . . A 62 THR HB . 30101 1 131 . 1 1 65 65 THR C C 13 175.871 0.50 . 1 . . . A 62 THR C . 30101 1 132 . 1 1 65 65 THR CA C 13 60.795 0.50 . 1 . . . A 62 THR CA . 30101 1 133 . 1 1 65 65 THR CB C 13 70.999 0.50 . 1 . . . A 62 THR CB . 30101 1 134 . 1 1 65 65 THR N N 15 123.057 0.50 . 1 . . . A 62 THR N . 30101 1 135 . 1 1 66 66 GLU H H 1 8.671 0.05 . 1 . . . A 63 GLU H . 30101 1 136 . 1 1 66 66 GLU HA H 1 3.870 0.05 . 1 . . . A 63 GLU HA . 30101 1 137 . 1 1 66 66 GLU HB2 H 1 1.916 0.05 . 2 . . . A 63 GLU HB2 . 30101 1 138 . 1 1 66 66 GLU C C 13 177.192 0.50 . 1 . . . A 63 GLU C . 30101 1 139 . 1 1 66 66 GLU CA C 13 59.088 0.50 . 1 . . . A 63 GLU CA . 30101 1 140 . 1 1 66 66 GLU CB C 13 29.037 0.50 . 1 . . . A 63 GLU CB . 30101 1 141 . 1 1 66 66 GLU N N 15 125.311 0.50 . 1 . . . A 63 GLU N . 30101 1 142 . 1 1 67 67 ALA H H 1 9.291 0.05 . 1 . . . A 64 ALA H . 30101 1 143 . 1 1 67 67 ALA HA H 1 4.604 0.05 . 1 . . . A 64 ALA HA . 30101 1 144 . 1 1 67 67 ALA HB1 H 1 1.443 0.05 . 1 . . . A 64 ALA HB1 . 30101 1 145 . 1 1 67 67 ALA HB2 H 1 1.443 0.05 . 1 . . . A 64 ALA HB2 . 30101 1 146 . 1 1 67 67 ALA HB3 H 1 1.443 0.05 . 1 . . . A 64 ALA HB3 . 30101 1 147 . 1 1 67 67 ALA C C 13 178.020 0.50 . 1 . . . A 64 ALA C . 30101 1 148 . 1 1 67 67 ALA CA C 13 50.023 0.50 . 1 . . . A 64 ALA CA . 30101 1 149 . 1 1 67 67 ALA CB C 13 18.375 0.50 . 1 . . . A 64 ALA CB . 30101 1 150 . 1 1 67 67 ALA N N 15 123.184 0.50 . 1 . . . A 64 ALA N . 30101 1 151 . 1 1 68 68 ASP H H 1 8.927 0.05 . 1 . . . A 65 ASP H . 30101 1 152 . 1 1 68 68 ASP HA H 1 4.164 0.05 . 1 . . . A 65 ASP HA . 30101 1 153 . 1 1 68 68 ASP HB2 H 1 2.692 0.05 . 1 . . . A 65 ASP HB2 . 30101 1 154 . 1 1 68 68 ASP HB3 H 1 2.487 0.05 . 1 . . . A 65 ASP HB3 . 30101 1 155 . 1 1 68 68 ASP C C 13 176.882 0.50 . 1 . . . A 65 ASP C . 30101 1 156 . 1 1 68 68 ASP CA C 13 57.154 0.50 . 1 . . . A 65 ASP CA . 30101 1 157 . 1 1 68 68 ASP CB C 13 40.436 0.50 . 1 . . . A 65 ASP CB . 30101 1 158 . 1 1 68 68 ASP N N 15 123.652 0.50 . 1 . . . A 65 ASP N . 30101 1 159 . 1 1 69 69 ASP H H 1 8.876 0.05 . 1 . . . A 66 ASP H . 30101 1 160 . 1 1 69 69 ASP HA H 1 4.212 0.05 . 1 . . . A 66 ASP HA . 30101 1 161 . 1 1 69 69 ASP HB2 H 1 2.685 0.05 . 2 . . . A 66 ASP HB2 . 30101 1 162 . 1 1 69 69 ASP HB3 H 1 2.527 0.05 . 2 . . . A 66 ASP HB3 . 30101 1 163 . 1 1 69 69 ASP C C 13 179.161 0.50 . 1 . . . A 66 ASP C . 30101 1 164 . 1 1 69 69 ASP CA C 13 55.700 0.50 . 1 . . . A 66 ASP CA . 30101 1 165 . 1 1 69 69 ASP CB C 13 37.534 0.50 . 1 . . . A 66 ASP CB . 30101 1 166 . 1 1 69 69 ASP N N 15 115.035 0.50 . 1 . . . A 66 ASP N . 30101 1 167 . 1 1 70 70 ASP H H 1 7.286 0.05 . 1 . . . A 67 ASP H . 30101 1 168 . 1 1 70 70 ASP HA H 1 3.752 0.05 . 1 . . . A 67 ASP HA . 30101 1 169 . 1 1 70 70 ASP HB2 H 1 2.501 0.05 . 2 . . . A 67 ASP HB2 . 30101 1 170 . 1 1 70 70 ASP C C 13 175.617 0.50 . 1 . . . A 67 ASP C . 30101 1 171 . 1 1 70 70 ASP CA C 13 56.918 0.50 . 1 . . . A 67 ASP CA . 30101 1 172 . 1 1 70 70 ASP CB C 13 39.956 0.50 . 1 . . . A 67 ASP CB . 30101 1 173 . 1 1 70 70 ASP N N 15 123.265 0.50 . 1 . . . A 67 ASP N . 30101 1 174 . 1 1 71 71 ARG H H 1 8.395 0.05 . 1 . . . A 68 ARG H . 30101 1 175 . 1 1 71 71 ARG HA H 1 4.325 0.05 . 1 . . . A 68 ARG HA . 30101 1 176 . 1 1 71 71 ARG HB2 H 1 2.119 0.05 . 2 . . . A 68 ARG HB2 . 30101 1 177 . 1 1 71 71 ARG HB3 H 1 1.645 0.05 . 2 . . . A 68 ARG HB3 . 30101 1 178 . 1 1 71 71 ARG C C 13 176.633 0.50 . 1 . . . A 68 ARG C . 30101 1 179 . 1 1 71 71 ARG CA C 13 56.218 0.50 . 1 . . . A 68 ARG CA . 30101 1 180 . 1 1 71 71 ARG CB C 13 32.900 0.50 . 1 . . . A 68 ARG CB . 30101 1 181 . 1 1 71 71 ARG N N 15 117.622 0.50 . 1 . . . A 68 ARG N . 30101 1 182 . 1 1 72 72 ILE H H 1 8.068 0.05 . 1 . . . A 69 ILE H . 30101 1 183 . 1 1 72 72 ILE HA H 1 3.752 0.05 . 1 . . . A 69 ILE HA . 30101 1 184 . 1 1 72 72 ILE HB H 1 2.171 0.05 . 1 . . . A 69 ILE HB . 30101 1 185 . 1 1 72 72 ILE HD11 H 1 0.662 0.05 . 1 . . . A 69 ILE HD11 . 30101 1 186 . 1 1 72 72 ILE HD12 H 1 0.662 0.05 . 1 . . . A 69 ILE HD12 . 30101 1 187 . 1 1 72 72 ILE HD13 H 1 0.662 0.05 . 1 . . . A 69 ILE HD13 . 30101 1 188 . 1 1 72 72 ILE C C 13 178.399 0.50 . 1 . . . A 69 ILE C . 30101 1 189 . 1 1 72 72 ILE CA C 13 57.163 0.50 . 1 . . . A 69 ILE CA . 30101 1 190 . 1 1 72 72 ILE CB C 13 37.284 0.50 . 1 . . . A 69 ILE CB . 30101 1 191 . 1 1 72 72 ILE CD1 C 13 11.839 0.50 . 1 . . . A 69 ILE CD1 . 30101 1 192 . 1 1 72 72 ILE N N 15 118.642 0.50 . 1 . . . A 69 ILE N . 30101 1 193 . 1 1 73 73 LEU H H 1 7.394 0.05 . 1 . . . A 70 LEU H . 30101 1 194 . 1 1 73 73 LEU HA H 1 4.094 0.05 . 1 . . . A 70 LEU HA . 30101 1 195 . 1 1 73 73 LEU HB2 H 1 1.526 0.05 . 2 . . . A 70 LEU HB2 . 30101 1 196 . 1 1 73 73 LEU HD11 H 1 0.955 0.05 . 1 . . . A 70 LEU HD11 . 30101 1 197 . 1 1 73 73 LEU HD12 H 1 0.955 0.05 . 1 . . . A 70 LEU HD12 . 30101 1 198 . 1 1 73 73 LEU HD13 H 1 0.955 0.05 . 1 . . . A 70 LEU HD13 . 30101 1 199 . 1 1 73 73 LEU C C 13 177.452 0.50 . 1 . . . A 70 LEU C . 30101 1 200 . 1 1 73 73 LEU CA C 13 57.868 0.50 . 1 . . . A 70 LEU CA . 30101 1 201 . 1 1 73 73 LEU CB C 13 40.210 0.50 . 1 . . . A 70 LEU CB . 30101 1 202 . 1 1 73 73 LEU CD1 C 13 20.800 0.50 . 1 . . . A 70 LEU CD1 . 30101 1 203 . 1 1 73 73 LEU N N 15 120.061 0.50 . 1 . . . A 70 LEU N . 30101 1 204 . 1 1 74 74 TYR H H 1 9.543 0.05 . 1 . . . A 71 TYR H . 30101 1 205 . 1 1 74 74 TYR HA H 1 4.358 0.05 . 1 . . . A 71 TYR HA . 30101 1 206 . 1 1 74 74 TYR HB2 H 1 3.054 0.05 . 2 . . . A 71 TYR HB2 . 30101 1 207 . 1 1 74 74 TYR HB3 H 1 2.672 0.05 . 2 . . . A 71 TYR HB3 . 30101 1 208 . 1 1 74 74 TYR HD1 H 1 7.095 0.05 . 1 . . . A 71 TYR HD1 . 30101 1 209 . 1 1 74 74 TYR HE1 H 1 6.766 0.05 . 1 . . . A 71 TYR HE1 . 30101 1 210 . 1 1 74 74 TYR C C 13 177.009 0.50 . 1 . . . A 71 TYR C . 30101 1 211 . 1 1 74 74 TYR CA C 13 61.274 0.50 . 1 . . . A 71 TYR CA . 30101 1 212 . 1 1 74 74 TYR CB C 13 37.763 0.50 . 1 . . . A 71 TYR CB . 30101 1 213 . 1 1 74 74 TYR N N 15 117.624 0.50 . 1 . . . A 71 TYR N . 30101 1 214 . 1 1 75 75 ASN H H 1 8.608 0.05 . 1 . . . A 72 ASN H . 30101 1 215 . 1 1 75 75 ASN HA H 1 4.212 0.05 . 1 . . . A 72 ASN HA . 30101 1 216 . 1 1 75 75 ASN HB2 H 1 2.316 0.05 . 2 . . . A 72 ASN HB2 . 30101 1 217 . 1 1 75 75 ASN C C 13 177.832 0.50 . 1 . . . A 72 ASN C . 30101 1 218 . 1 1 75 75 ASN CA C 13 55.929 0.50 . 1 . . . A 72 ASN CA . 30101 1 219 . 1 1 75 75 ASN CB C 13 37.536 0.50 . 1 . . . A 72 ASN CB . 30101 1 220 . 1 1 75 75 ASN N N 15 115.114 0.50 . 1 . . . A 72 ASN N . 30101 1 221 . 1 1 76 76 LEU H H 1 7.848 0.05 . 1 . . . A 73 LEU H . 30101 1 222 . 1 1 76 76 LEU HA H 1 3.975 0.05 . 1 . . . A 73 LEU HA . 30101 1 223 . 1 1 76 76 LEU HB2 H 1 1.302 0.05 . 2 . . . A 73 LEU HB2 . 30101 1 224 . 1 1 76 76 LEU HD11 H 1 0.816 0.05 . 1 . . . A 73 LEU HD11 . 30101 1 225 . 1 1 76 76 LEU HD12 H 1 0.816 0.05 . 1 . . . A 73 LEU HD12 . 30101 1 226 . 1 1 76 76 LEU HD13 H 1 0.816 0.05 . 1 . . . A 73 LEU HD13 . 30101 1 227 . 1 1 76 76 LEU C C 13 178.717 0.50 . 1 . . . A 73 LEU C . 30101 1 228 . 1 1 76 76 LEU CA C 13 57.654 0.50 . 1 . . . A 73 LEU CA . 30101 1 229 . 1 1 76 76 LEU CB C 13 41.475 0.50 . 1 . . . A 73 LEU CB . 30101 1 230 . 1 1 76 76 LEU CD1 C 13 22.663 0.50 . 1 . . . A 73 LEU CD1 . 30101 1 231 . 1 1 76 76 LEU N N 15 118.859 0.50 . 1 . . . A 73 LEU N . 30101 1 232 . 1 1 77 77 ILE H H 1 7.846 0.05 . 1 . . . A 74 ILE H . 30101 1 233 . 1 1 77 77 ILE HA H 1 4.318 0.05 . 1 . . . A 74 ILE HA . 30101 1 234 . 1 1 77 77 ILE HB H 1 1.631 0.05 . 1 . . . A 74 ILE HB . 30101 1 235 . 1 1 77 77 ILE HG12 H 1 0.837 0.05 . 1 . . . A 74 ILE HG12 . 30101 1 236 . 1 1 77 77 ILE HG21 H 1 0.741 0.05 . 1 . . . A 74 ILE HG21 . 30101 1 237 . 1 1 77 77 ILE HG22 H 1 0.741 0.05 . 1 . . . A 74 ILE HG22 . 30101 1 238 . 1 1 77 77 ILE HG23 H 1 0.741 0.05 . 1 . . . A 74 ILE HG23 . 30101 1 239 . 1 1 77 77 ILE HD11 H 1 0.929 0.05 . 1 . . . A 74 ILE HD11 . 30101 1 240 . 1 1 77 77 ILE HD12 H 1 0.929 0.05 . 1 . . . A 74 ILE HD12 . 30101 1 241 . 1 1 77 77 ILE HD13 H 1 0.929 0.05 . 1 . . . A 74 ILE HD13 . 30101 1 242 . 1 1 77 77 ILE C C 13 179.369 0.50 . 1 . . . A 74 ILE C . 30101 1 243 . 1 1 77 77 ILE CA C 13 65.865 0.50 . 1 . . . A 74 ILE CA . 30101 1 244 . 1 1 77 77 ILE CB C 13 37.891 0.50 . 1 . . . A 74 ILE CB . 30101 1 245 . 1 1 77 77 ILE CG1 C 13 24.873 0.50 . 1 . . . A 74 ILE CG1 . 30101 1 246 . 1 1 77 77 ILE CG2 C 13 20.658 0.50 . 1 . . . A 74 ILE CG2 . 30101 1 247 . 1 1 77 77 ILE CD1 C 13 14.416 0.50 . 1 . . . A 74 ILE CD1 . 30101 1 248 . 1 1 77 77 ILE N N 15 120.760 0.50 . 1 . . . A 74 ILE N . 30101 1 249 . 1 1 78 78 VAL H H 1 8.037 0.05 . 1 . . . A 75 VAL H . 30101 1 250 . 1 1 78 78 VAL HA H 1 4.733 0.05 . 1 . . . A 75 VAL HA . 30101 1 251 . 1 1 78 78 VAL HB H 1 2.092 0.05 . 1 . . . A 75 VAL HB . 30101 1 252 . 1 1 78 78 VAL HG21 H 1 0.496 0.05 . 1 . . . A 75 VAL HG21 . 30101 1 253 . 1 1 78 78 VAL HG22 H 1 0.496 0.05 . 1 . . . A 75 VAL HG22 . 30101 1 254 . 1 1 78 78 VAL HG23 H 1 0.496 0.05 . 1 . . . A 75 VAL HG23 . 30101 1 255 . 1 1 78 78 VAL C C 13 177.741 0.50 . 1 . . . A 75 VAL C . 30101 1 256 . 1 1 78 78 VAL CA C 13 66.205 0.50 . 1 . . . A 75 VAL CA . 30101 1 257 . 1 1 78 78 VAL CB C 13 30.639 0.50 . 1 . . . A 75 VAL CB . 30101 1 258 . 1 1 78 78 VAL CG2 C 13 22.080 0.50 . 1 . . . A 75 VAL CG2 . 30101 1 259 . 1 1 78 78 VAL N N 15 118.458 0.50 . 1 . . . A 75 VAL N . 30101 1 260 . 1 1 79 79 ILE H H 1 8.030 0.05 . 1 . . . A 76 ILE H . 30101 1 261 . 1 1 79 79 ILE HA H 1 3.817 0.05 . 1 . . . A 76 ILE HA . 30101 1 262 . 1 1 79 79 ILE HB H 1 1.934 0.05 . 1 . . . A 76 ILE HB . 30101 1 263 . 1 1 79 79 ILE HD11 H 1 0.813 0.05 . 1 . . . A 76 ILE HD11 . 30101 1 264 . 1 1 79 79 ILE HD12 H 1 0.813 0.05 . 1 . . . A 76 ILE HD12 . 30101 1 265 . 1 1 79 79 ILE HD13 H 1 0.813 0.05 . 1 . . . A 76 ILE HD13 . 30101 1 266 . 1 1 79 79 ILE C C 13 172.323 0.50 . 1 . . . A 76 ILE C . 30101 1 267 . 1 1 79 79 ILE CA C 13 64.066 0.50 . 1 . . . A 76 ILE CA . 30101 1 268 . 1 1 79 79 ILE CB C 13 36.781 0.50 . 1 . . . A 76 ILE CB . 30101 1 269 . 1 1 79 79 ILE CD1 C 13 12.809 0.50 . 1 . . . A 76 ILE CD1 . 30101 1 270 . 1 1 79 79 ILE N N 15 118.629 0.50 . 1 . . . A 76 ILE N . 30101 1 271 . 1 1 80 80 ARG H H 1 9.076 0.05 . 1 . . . A 77 ARG H . 30101 1 272 . 1 1 80 80 ARG HA H 1 3.620 0.05 . 1 . . . A 77 ARG HA . 30101 1 273 . 1 1 80 80 ARG HB2 H 1 1.616 0.05 . 1 . . . A 77 ARG HB2 . 30101 1 274 . 1 1 80 80 ARG HG2 H 1 1.670 0.05 . 1 . . . A 77 ARG HG2 . 30101 1 275 . 1 1 80 80 ARG C C 13 178.589 0.50 . 1 . . . A 77 ARG C . 30101 1 276 . 1 1 80 80 ARG CA C 13 60.046 0.50 . 1 . . . A 77 ARG CA . 30101 1 277 . 1 1 80 80 ARG CB C 13 27.594 0.50 . 1 . . . A 77 ARG CB . 30101 1 278 . 1 1 80 80 ARG N N 15 124.673 0.50 . 1 . . . A 77 ARG N . 30101 1 279 . 1 1 81 81 ASN H H 1 8.259 0.05 . 1 . . . A 78 ASN H . 30101 1 280 . 1 1 81 81 ASN HA H 1 4.702 0.05 . 1 . . . A 78 ASN HA . 30101 1 281 . 1 1 81 81 ASN HB2 H 1 3.067 0.05 . 2 . . . A 78 ASN HB2 . 30101 1 282 . 1 1 81 81 ASN HB3 H 1 2.751 0.05 . 2 . . . A 78 ASN HB3 . 30101 1 283 . 1 1 81 81 ASN C C 13 176.500 0.50 . 1 . . . A 78 ASN C . 30101 1 284 . 1 1 81 81 ASN CA C 13 53.760 0.50 . 1 . . . A 78 ASN CA . 30101 1 285 . 1 1 81 81 ASN CB C 13 36.561 0.50 . 1 . . . A 78 ASN CB . 30101 1 286 . 1 1 81 81 ASN N N 15 114.577 0.50 . 1 . . . A 78 ASN N . 30101 1 287 . 1 1 82 82 GLN H H 1 7.576 0.05 . 1 . . . A 79 GLN H . 30101 1 288 . 1 1 82 82 GLN HA H 1 4.384 0.05 . 1 . . . A 79 GLN HA . 30101 1 289 . 1 1 82 82 GLN HB2 H 1 2.226 0.05 . 2 . . . A 79 GLN HB2 . 30101 1 290 . 1 1 82 82 GLN HG2 H 1 2.715 0.05 . 1 . . . A 79 GLN HG2 . 30101 1 291 . 1 1 82 82 GLN C C 13 176.501 0.50 . 1 . . . A 79 GLN C . 30101 1 292 . 1 1 82 82 GLN CA C 13 55.671 0.50 . 1 . . . A 79 GLN CA . 30101 1 293 . 1 1 82 82 GLN CB C 13 28.115 0.50 . 1 . . . A 79 GLN CB . 30101 1 294 . 1 1 82 82 GLN N N 15 117.239 0.50 . 1 . . . A 79 GLN N . 30101 1 295 . 1 1 83 83 GLN H H 1 8.113 0.05 . 1 . . . A 80 GLN H . 30101 1 296 . 1 1 83 83 GLN HA H 1 4.565 0.05 . 1 . . . A 80 GLN HA . 30101 1 297 . 1 1 83 83 GLN HB2 H 1 2.457 0.05 . 2 . . . A 80 GLN HB2 . 30101 1 298 . 1 1 83 83 GLN HG2 H 1 2.502 0.05 . 1 . . . A 80 GLN HG2 . 30101 1 299 . 1 1 83 83 GLN C C 13 175.807 0.50 . 1 . . . A 80 GLN C . 30101 1 300 . 1 1 83 83 GLN CA C 13 52.546 0.50 . 1 . . . A 80 GLN CA . 30101 1 301 . 1 1 83 83 GLN CB C 13 28.328 0.50 . 1 . . . A 80 GLN CB . 30101 1 302 . 1 1 83 83 GLN N N 15 117.697 0.50 . 1 . . . A 80 GLN N . 30101 1 303 . 1 1 84 84 THR H H 1 8.701 0.05 . 1 . . . A 81 THR H . 30101 1 304 . 1 1 84 84 THR HA H 1 4.107 0.05 . 1 . . . A 81 THR HA . 30101 1 305 . 1 1 84 84 THR HB H 1 3.436 0.05 . 1 . . . A 81 THR HB . 30101 1 306 . 1 1 84 84 THR C C 13 175.602 0.50 . 1 . . . A 81 THR C . 30101 1 307 . 1 1 84 84 THR CA C 13 62.480 0.50 . 1 . . . A 81 THR CA . 30101 1 308 . 1 1 84 84 THR CB C 13 68.534 0.50 . 1 . . . A 81 THR CB . 30101 1 309 . 1 1 84 84 THR N N 15 116.911 0.50 . 1 . . . A 81 THR N . 30101 1 310 . 1 1 85 85 LYS H H 1 8.679 0.05 . 1 . . . A 82 LYS H . 30101 1 311 . 1 1 85 85 LYS HA H 1 4.149 0.05 . 1 . . . A 82 LYS HA . 30101 1 312 . 1 1 85 85 LYS HG2 H 1 1.285 0.05 . 1 . . . A 82 LYS HG2 . 30101 1 313 . 1 1 85 85 LYS C C 13 176.123 0.50 . 1 . . . A 82 LYS C . 30101 1 314 . 1 1 85 85 LYS CA C 13 57.878 0.50 . 1 . . . A 82 LYS CA . 30101 1 315 . 1 1 85 85 LYS CB C 13 30.058 0.50 . 1 . . . A 82 LYS CB . 30101 1 316 . 1 1 85 85 LYS N N 15 108.860 0.50 . 1 . . . A 82 LYS N . 30101 1 317 . 1 1 86 86 ASP H H 1 6.262 0.05 . 1 . . . A 83 ASP H . 30101 1 318 . 1 1 86 86 ASP HA H 1 4.397 0.05 . 1 . . . A 83 ASP HA . 30101 1 319 . 1 1 86 86 ASP HB2 H 1 2.711 0.05 . 2 . . . A 83 ASP HB2 . 30101 1 320 . 1 1 86 86 ASP C C 13 175.051 0.50 . 1 . . . A 83 ASP C . 30101 1 321 . 1 1 86 86 ASP CA C 13 55.455 0.50 . 1 . . . A 83 ASP CA . 30101 1 322 . 1 1 86 86 ASP CB C 13 38.268 0.50 . 1 . . . A 83 ASP CB . 30101 1 323 . 1 1 86 86 ASP N N 15 115.679 0.50 . 1 . . . A 83 ASP N . 30101 1 324 . 1 1 87 87 SER H H 1 7.945 0.05 . 1 . . . A 84 SER H . 30101 1 325 . 1 1 87 87 SER HA H 1 4.489 0.05 . 1 . . . A 84 SER HA . 30101 1 326 . 1 1 87 87 SER HB2 H 1 3.686 0.05 . 2 . . . A 84 SER HB2 . 30101 1 327 . 1 1 87 87 SER C C 13 174.986 0.50 . 1 . . . A 84 SER C . 30101 1 328 . 1 1 87 87 SER CA C 13 58.191 0.50 . 1 . . . A 84 SER CA . 30101 1 329 . 1 1 87 87 SER CB C 13 64.774 0.50 . 1 . . . A 84 SER CB . 30101 1 330 . 1 1 87 87 SER N N 15 115.431 0.50 . 1 . . . A 84 SER N . 30101 1 331 . 1 1 88 88 GLU H H 1 9.237 0.05 . 1 . . . A 85 GLU H . 30101 1 332 . 1 1 88 88 GLU HA H 1 4.068 0.05 . 1 . . . A 85 GLU HA . 30101 1 333 . 1 1 88 88 GLU HB2 H 1 2.106 0.05 . 2 . . . A 85 GLU HB2 . 30101 1 334 . 1 1 88 88 GLU C C 13 179.413 0.50 . 1 . . . A 85 GLU C . 30101 1 335 . 1 1 88 88 GLU CA C 13 59.584 0.50 . 1 . . . A 85 GLU CA . 30101 1 336 . 1 1 88 88 GLU CB C 13 28.328 0.50 . 1 . . . A 85 GLU CB . 30101 1 337 . 1 1 88 88 GLU N N 15 122.635 0.50 . 1 . . . A 85 GLU N . 30101 1 338 . 1 1 89 89 GLU H H 1 9.057 0.05 . 1 . . . A 86 GLU H . 30101 1 339 . 1 1 89 89 GLU HA H 1 4.254 0.05 . 1 . . . A 86 GLU HA . 30101 1 340 . 1 1 89 89 GLU HB2 H 1 2.181 0.05 . 2 . . . A 86 GLU HB2 . 30101 1 341 . 1 1 89 89 GLU HB3 H 1 1.897 0.05 . 2 . . . A 86 GLU HB3 . 30101 1 342 . 1 1 89 89 GLU C C 13 178.528 0.50 . 1 . . . A 86 GLU C . 30101 1 343 . 1 1 89 89 GLU CA C 13 58.836 0.50 . 1 . . . A 86 GLU CA . 30101 1 344 . 1 1 89 89 GLU CB C 13 28.222 0.50 . 1 . . . A 86 GLU CB . 30101 1 345 . 1 1 89 89 GLU N N 15 118.956 0.50 . 1 . . . A 86 GLU N . 30101 1 346 . 1 1 90 90 TRP H H 1 7.890 0.05 . 1 . . . A 87 TRP H . 30101 1 347 . 1 1 90 90 TRP HA H 1 3.686 0.05 . 1 . . . A 87 TRP HA . 30101 1 348 . 1 1 90 90 TRP HB2 H 1 3.317 0.05 . 2 . . . A 87 TRP HB2 . 30101 1 349 . 1 1 90 90 TRP HB3 H 1 2.730 0.05 . 2 . . . A 87 TRP HB3 . 30101 1 350 . 1 1 90 90 TRP C C 13 177.959 0.50 . 1 . . . A 87 TRP C . 30101 1 351 . 1 1 90 90 TRP CA C 13 62.476 0.50 . 1 . . . A 87 TRP CA . 30101 1 352 . 1 1 90 90 TRP CB C 13 28.766 0.50 . 1 . . . A 87 TRP CB . 30101 1 353 . 1 1 90 90 TRP N N 15 119.737 0.50 . 1 . . . A 87 TRP N . 30101 1 354 . 1 1 91 91 GLN H H 1 8.532 0.05 . 1 . . . A 88 GLN H . 30101 1 355 . 1 1 91 91 GLN HA H 1 4.026 0.05 . 1 . . . A 88 GLN HA . 30101 1 356 . 1 1 91 91 GLN HB2 H 1 2.370 0.05 . 2 . . . A 88 GLN HB2 . 30101 1 357 . 1 1 91 91 GLN HG2 H 1 2.737 0.05 . 1 . . . A 88 GLN HG2 . 30101 1 358 . 1 1 91 91 GLN C C 13 178.785 0.50 . 1 . . . A 88 GLN C . 30101 1 359 . 1 1 91 91 GLN CA C 13 58.624 0.50 . 1 . . . A 88 GLN CA . 30101 1 360 . 1 1 91 91 GLN CB C 13 27.843 0.50 . 1 . . . A 88 GLN CB . 30101 1 361 . 1 1 91 91 GLN N N 15 115.686 0.50 . 1 . . . A 88 GLN N . 30101 1 362 . 1 1 92 92 ARG H H 1 8.240 0.05 . 1 . . . A 89 ARG H . 30101 1 363 . 1 1 92 92 ARG HA H 1 4.054 0.05 . 1 . . . A 89 ARG HA . 30101 1 364 . 1 1 92 92 ARG HB2 H 1 1.945 0.05 . 2 . . . A 89 ARG HB2 . 30101 1 365 . 1 1 92 92 ARG C C 13 178.970 0.50 . 1 . . . A 89 ARG C . 30101 1 366 . 1 1 92 92 ARG CA C 13 58.855 0.50 . 1 . . . A 89 ARG CA . 30101 1 367 . 1 1 92 92 ARG CB C 13 29.313 0.50 . 1 . . . A 89 ARG CB . 30101 1 368 . 1 1 92 92 ARG N N 15 120.901 0.50 . 1 . . . A 89 ARG N . 30101 1 369 . 1 1 93 93 LEU H H 1 7.853 0.05 . 1 . . . A 90 LEU H . 30101 1 370 . 1 1 93 93 LEU HA H 1 4.069 0.05 . 1 . . . A 90 LEU HA . 30101 1 371 . 1 1 93 93 LEU HB2 H 1 1.945 0.05 . 2 . . . A 90 LEU HB2 . 30101 1 372 . 1 1 93 93 LEU HB3 H 1 1.723 0.05 . 2 . . . A 90 LEU HB3 . 30101 1 373 . 1 1 93 93 LEU HG H 1 1.422 0.05 . 1 . . . A 90 LEU HG . 30101 1 374 . 1 1 93 93 LEU C C 13 178.844 0.50 . 1 . . . A 90 LEU C . 30101 1 375 . 1 1 93 93 LEU CA C 13 56.920 0.50 . 1 . . . A 90 LEU CA . 30101 1 376 . 1 1 93 93 LEU CB C 13 40.904 0.50 . 1 . . . A 90 LEU CB . 30101 1 377 . 1 1 93 93 LEU CG C 13 26.835 0.50 . 1 . . . A 90 LEU CG . 30101 1 378 . 1 1 93 93 LEU N N 15 119.353 0.50 . 1 . . . A 90 LEU N . 30101 1 379 . 1 1 94 94 ASN H H 1 8.476 0.05 . 1 . . . A 91 ASN H . 30101 1 380 . 1 1 94 94 ASN HA H 1 4.081 0.05 . 1 . . . A 91 ASN HA . 30101 1 381 . 1 1 94 94 ASN HB2 H 1 2.397 0.05 . 2 . . . A 91 ASN HB2 . 30101 1 382 . 1 1 94 94 ASN C C 13 177.133 0.50 . 1 . . . A 91 ASN C . 30101 1 383 . 1 1 94 94 ASN CA C 13 56.191 0.50 . 1 . . . A 91 ASN CA . 30101 1 384 . 1 1 94 94 ASN CB C 13 37.998 0.50 . 1 . . . A 91 ASN CB . 30101 1 385 . 1 1 94 94 ASN N N 15 115.827 0.50 . 1 . . . A 91 ASN N . 30101 1 386 . 1 1 95 95 TYR H H 1 8.068 0.05 . 1 . . . A 92 TYR H . 30101 1 387 . 1 1 95 95 TYR HA H 1 4.410 0.05 . 1 . . . A 92 TYR HA . 30101 1 388 . 1 1 95 95 TYR HB2 H 1 3.225 0.05 . 2 . . . A 92 TYR HB2 . 30101 1 389 . 1 1 95 95 TYR C C 13 178.211 0.50 . 1 . . . A 92 TYR C . 30101 1 390 . 1 1 95 95 TYR CA C 13 60.802 0.50 . 1 . . . A 92 TYR CA . 30101 1 391 . 1 1 95 95 TYR CB C 13 36.820 0.50 . 1 . . . A 92 TYR CB . 30101 1 392 . 1 1 95 95 TYR N N 15 119.662 0.50 . 1 . . . A 92 TYR N . 30101 1 393 . 1 1 96 96 ASP H H 1 7.832 0.05 . 1 . . . A 93 ASP H . 30101 1 394 . 1 1 96 96 ASP HA H 1 4.371 0.05 . 1 . . . A 93 ASP HA . 30101 1 395 . 1 1 96 96 ASP HB2 H 1 2.553 0.05 . 2 . . . A 93 ASP HB2 . 30101 1 396 . 1 1 96 96 ASP HB3 H 1 2.343 0.05 . 2 . . . A 93 ASP HB3 . 30101 1 397 . 1 1 96 96 ASP C C 13 179.000 0.50 . 1 . . . A 93 ASP C . 30101 1 398 . 1 1 96 96 ASP CA C 13 57.376 0.50 . 1 . . . A 93 ASP CA . 30101 1 399 . 1 1 96 96 ASP CB C 13 39.683 0.50 . 1 . . . A 93 ASP CB . 30101 1 400 . 1 1 96 96 ASP N N 15 122.956 0.50 . 1 . . . A 93 ASP N . 30101 1 401 . 1 1 97 97 ILE H H 1 8.177 0.05 . 1 . . . A 94 ILE H . 30101 1 402 . 1 1 97 97 ILE HA H 1 4.697 0.05 . 1 . . . A 94 ILE HA . 30101 1 403 . 1 1 97 97 ILE HB H 1 2.711 0.05 . 1 . . . A 94 ILE HB . 30101 1 404 . 1 1 97 97 ILE HD11 H 1 0.511 0.05 . 1 . . . A 94 ILE HD11 . 30101 1 405 . 1 1 97 97 ILE HD12 H 1 0.511 0.05 . 1 . . . A 94 ILE HD12 . 30101 1 406 . 1 1 97 97 ILE HD13 H 1 0.511 0.05 . 1 . . . A 94 ILE HD13 . 30101 1 407 . 1 1 97 97 ILE C C 13 177.010 0.50 . 1 . . . A 94 ILE C . 30101 1 408 . 1 1 97 97 ILE CA C 13 65.178 0.50 . 1 . . . A 94 ILE CA . 30101 1 409 . 1 1 97 97 ILE CB C 13 37.774 0.50 . 1 . . . A 94 ILE CB . 30101 1 410 . 1 1 97 97 ILE CD1 C 13 15.029 0.50 . 1 . . . A 94 ILE CD1 . 30101 1 411 . 1 1 97 97 ILE N N 15 121.406 0.50 . 1 . . . A 94 ILE N . 30101 1 412 . 1 1 98 98 TYR H H 1 8.494 0.05 . 1 . . . A 95 TYR H . 30101 1 413 . 1 1 98 98 TYR HA H 1 3.962 0.05 . 1 . . . A 95 TYR HA . 30101 1 414 . 1 1 98 98 TYR HB2 H 1 3.225 0.05 . 2 . . . A 95 TYR HB2 . 30101 1 415 . 1 1 98 98 TYR C C 13 178.147 0.50 . 1 . . . A 95 TYR C . 30101 1 416 . 1 1 98 98 TYR CA C 13 61.042 0.50 . 1 . . . A 95 TYR CA . 30101 1 417 . 1 1 98 98 TYR CB C 13 36.626 0.50 . 1 . . . A 95 TYR CB . 30101 1 418 . 1 1 98 98 TYR N N 15 120.206 0.50 . 1 . . . A 95 TYR N . 30101 1 419 . 1 1 99 99 THR H H 1 8.312 0.05 . 1 . . . A 96 THR H . 30101 1 420 . 1 1 99 99 THR HA H 1 4.212 0.05 . 1 . . . A 96 THR HA . 30101 1 421 . 1 1 99 99 THR HB H 1 3.646 0.05 . 1 . . . A 96 THR HB . 30101 1 422 . 1 1 99 99 THR HG21 H 1 1.221 0.05 . 1 . . . A 96 THR HG21 . 30101 1 423 . 1 1 99 99 THR HG22 H 1 1.221 0.05 . 1 . . . A 96 THR HG22 . 30101 1 424 . 1 1 99 99 THR HG23 H 1 1.221 0.05 . 1 . . . A 96 THR HG23 . 30101 1 425 . 1 1 99 99 THR C C 13 176.316 0.50 . 1 . . . A 96 THR C . 30101 1 426 . 1 1 99 99 THR CA C 13 66.126 0.50 . 1 . . . A 96 THR CA . 30101 1 427 . 1 1 99 99 THR CB C 13 68.054 0.50 . 1 . . . A 96 THR CB . 30101 1 428 . 1 1 99 99 THR N N 15 116.016 0.50 . 1 . . . A 96 THR N . 30101 1 429 . 1 1 100 100 LEU H H 1 7.644 0.05 . 1 . . . A 97 LEU H . 30101 1 430 . 1 1 100 100 LEU HA H 1 4.173 0.05 . 1 . . . A 97 LEU HA . 30101 1 431 . 1 1 100 100 LEU HB2 H 1 1.908 0.05 . 2 . . . A 97 LEU HB2 . 30101 1 432 . 1 1 100 100 LEU HG H 1 1.440 0.05 . 1 . . . A 97 LEU HG . 30101 1 433 . 1 1 100 100 LEU HD21 H 1 0.865 0.05 . 1 . . . A 97 LEU HD21 . 30101 1 434 . 1 1 100 100 LEU HD22 H 1 0.865 0.05 . 1 . . . A 97 LEU HD22 . 30101 1 435 . 1 1 100 100 LEU HD23 H 1 0.865 0.05 . 1 . . . A 97 LEU HD23 . 30101 1 436 . 1 1 100 100 LEU C C 13 172.835 0.50 . 1 . . . A 97 LEU C . 30101 1 437 . 1 1 100 100 LEU CA C 13 57.647 0.50 . 1 . . . A 97 LEU CA . 30101 1 438 . 1 1 100 100 LEU CB C 13 41.152 0.50 . 1 . . . A 97 LEU CB . 30101 1 439 . 1 1 100 100 LEU CG C 13 25.385 0.50 . 1 . . . A 97 LEU CG . 30101 1 440 . 1 1 100 100 LEU CD2 C 13 22.101 0.50 . 1 . . . A 97 LEU CD2 . 30101 1 441 . 1 1 100 100 LEU N N 15 121.304 0.50 . 1 . . . A 97 LEU N . 30101 1 442 . 1 1 101 101 ARG H H 1 8.583 0.05 . 1 . . . A 98 ARG H . 30101 1 443 . 1 1 101 101 ARG HA H 1 3.673 0.05 . 1 . . . A 98 ARG HA . 30101 1 444 . 1 1 101 101 ARG HB2 H 1 2.079 0.05 . 2 . . . A 98 ARG HB2 . 30101 1 445 . 1 1 101 101 ARG C C 13 178.781 0.50 . 1 . . . A 98 ARG C . 30101 1 446 . 1 1 101 101 ARG CA C 13 59.605 0.50 . 1 . . . A 98 ARG CA . 30101 1 447 . 1 1 101 101 ARG CB C 13 29.532 0.50 . 1 . . . A 98 ARG CB . 30101 1 448 . 1 1 101 101 ARG N N 15 118.364 0.50 . 1 . . . A 98 ARG N . 30101 1 449 . 1 1 102 102 GLN H H 1 8.604 0.05 . 1 . . . A 99 GLN H . 30101 1 450 . 1 1 102 102 GLN HA H 1 3.844 0.05 . 1 . . . A 99 GLN HA . 30101 1 451 . 1 1 102 102 GLN HB2 H 1 2.027 0.05 . 2 . . . A 99 GLN HB2 . 30101 1 452 . 1 1 102 102 GLN HB3 H 1 1.934 0.05 . 2 . . . A 99 GLN HB3 . 30101 1 453 . 1 1 102 102 GLN C C 13 178.779 0.50 . 1 . . . A 99 GLN C . 30101 1 454 . 1 1 102 102 GLN CA C 13 58.353 0.50 . 1 . . . A 99 GLN CA . 30101 1 455 . 1 1 102 102 GLN CB C 13 26.873 0.50 . 1 . . . A 99 GLN CB . 30101 1 456 . 1 1 102 102 GLN N N 15 119.667 0.50 . 1 . . . A 99 GLN N . 30101 1 457 . 1 1 103 103 ILE H H 1 7.740 0.05 . 1 . . . A 100 ILE H . 30101 1 458 . 1 1 103 103 ILE HA H 1 3.872 0.05 . 1 . . . A 100 ILE HA . 30101 1 459 . 1 1 103 103 ILE HB H 1 2.027 0.05 . 1 . . . A 100 ILE HB . 30101 1 460 . 1 1 103 103 ILE HG21 H 1 0.898 0.05 . 1 . . . A 100 ILE HG21 . 30101 1 461 . 1 1 103 103 ILE HG22 H 1 0.898 0.05 . 1 . . . A 100 ILE HG22 . 30101 1 462 . 1 1 103 103 ILE HG23 H 1 0.898 0.05 . 1 . . . A 100 ILE HG23 . 30101 1 463 . 1 1 103 103 ILE HD11 H 1 0.909 0.05 . 1 . . . A 100 ILE HD11 . 30101 1 464 . 1 1 103 103 ILE HD12 H 1 0.909 0.05 . 1 . . . A 100 ILE HD12 . 30101 1 465 . 1 1 103 103 ILE HD13 H 1 0.909 0.05 . 1 . . . A 100 ILE HD13 . 30101 1 466 . 1 1 103 103 ILE C C 13 178.339 0.50 . 1 . . . A 100 ILE C . 30101 1 467 . 1 1 103 103 ILE CA C 13 64.199 0.50 . 1 . . . A 100 ILE CA . 30101 1 468 . 1 1 103 103 ILE CB C 13 37.290 0.50 . 1 . . . A 100 ILE CB . 30101 1 469 . 1 1 103 103 ILE CG2 C 13 20.023 0.50 . 1 . . . A 100 ILE CG2 . 30101 1 470 . 1 1 103 103 ILE CD1 C 13 13.309 0.50 . 1 . . . A 100 ILE CD1 . 30101 1 471 . 1 1 103 103 ILE N N 15 120.287 0.50 . 1 . . . A 100 ILE N . 30101 1 472 . 1 1 104 104 ARG H H 1 7.390 0.05 . 1 . . . A 101 ARG H . 30101 1 473 . 1 1 104 104 ARG HA H 1 4.252 0.05 . 1 . . . A 101 ARG HA . 30101 1 474 . 1 1 104 104 ARG HB2 H 1 1.649 0.05 . 2 . . . A 101 ARG HB2 . 30101 1 475 . 1 1 104 104 ARG C C 13 179.741 0.50 . 1 . . . A 101 ARG C . 30101 1 476 . 1 1 104 104 ARG CA C 13 59.821 0.50 . 1 . . . A 101 ARG CA . 30101 1 477 . 1 1 104 104 ARG CB C 13 29.085 0.50 . 1 . . . A 101 ARG CB . 30101 1 478 . 1 1 104 104 ARG N N 15 117.937 0.50 . 1 . . . A 101 ARG N . 30101 1 479 . 1 1 105 105 ARG H H 1 8.645 0.05 . 1 . . . A 102 ARG H . 30101 1 480 . 1 1 105 105 ARG HA H 1 3.778 0.05 . 1 . . . A 102 ARG HA . 30101 1 481 . 1 1 105 105 ARG HB2 H 1 1.855 0.05 . 2 . . . A 102 ARG HB2 . 30101 1 482 . 1 1 105 105 ARG C C 13 177.769 0.50 . 1 . . . A 102 ARG C . 30101 1 483 . 1 1 105 105 ARG CA C 13 58.608 0.50 . 1 . . . A 102 ARG CA . 30101 1 484 . 1 1 105 105 ARG CB C 13 28.580 0.50 . 1 . . . A 102 ARG CB . 30101 1 485 . 1 1 105 105 ARG N N 15 122.443 0.50 . 1 . . . A 102 ARG N . 30101 1 486 . 1 1 106 106 GLU H H 1 8.529 0.05 . 1 . . . A 103 GLU H . 30101 1 487 . 1 1 106 106 GLU HA H 1 4.160 0.05 . 1 . . . A 103 GLU HA . 30101 1 488 . 1 1 106 106 GLU HB2 H 1 2.079 0.05 . 2 . . . A 103 GLU HB2 . 30101 1 489 . 1 1 106 106 GLU C C 13 179.415 0.50 . 1 . . . A 103 GLU C . 30101 1 490 . 1 1 106 106 GLU CA C 13 58.553 0.50 . 1 . . . A 103 GLU CA . 30101 1 491 . 1 1 106 106 GLU CB C 13 27.774 0.50 . 1 . . . A 103 GLU CB . 30101 1 492 . 1 1 106 106 GLU N N 15 121.074 0.50 . 1 . . . A 103 GLU N . 30101 1 493 . 1 1 107 107 VAL H H 1 7.955 0.05 . 1 . . . A 104 VAL H . 30101 1 494 . 1 1 107 107 VAL HA H 1 4.173 0.05 . 1 . . . A 104 VAL HA . 30101 1 495 . 1 1 107 107 VAL HB H 1 2.241 0.05 . 1 . . . A 104 VAL HB . 30101 1 496 . 1 1 107 107 VAL HG21 H 1 0.776 0.05 . 1 . . . A 104 VAL HG21 . 30101 1 497 . 1 1 107 107 VAL HG22 H 1 0.776 0.05 . 1 . . . A 104 VAL HG22 . 30101 1 498 . 1 1 107 107 VAL HG23 H 1 0.776 0.05 . 1 . . . A 104 VAL HG23 . 30101 1 499 . 1 1 107 107 VAL C C 13 177.892 0.50 . 1 . . . A 104 VAL C . 30101 1 500 . 1 1 107 107 VAL CA C 13 66.843 0.50 . 1 . . . A 104 VAL CA . 30101 1 501 . 1 1 107 107 VAL CB C 13 30.816 0.50 . 1 . . . A 104 VAL CB . 30101 1 502 . 1 1 107 107 VAL CG2 C 13 21.887 0.50 . 1 . . . A 104 VAL CG2 . 30101 1 503 . 1 1 107 107 VAL N N 15 119.032 0.50 . 1 . . . A 104 VAL N . 30101 1 504 . 1 1 108 108 ARG H H 1 7.691 0.05 . 1 . . . A 105 ARG H . 30101 1 505 . 1 1 108 108 ARG HA H 1 4.239 0.05 . 1 . . . A 105 ARG HA . 30101 1 506 . 1 1 108 108 ARG HB2 H 1 2.028 0.05 . 1 . . . A 105 ARG HB2 . 30101 1 507 . 1 1 108 108 ARG C C 13 178.653 0.50 . 2 . . . A 105 ARG C . 30101 1 508 . 1 1 108 108 ARG CA C 13 59.817 0.50 . 1 . . . A 105 ARG CA . 30101 1 509 . 1 1 108 108 ARG CB C 13 28.314 0.50 . 1 . . . A 105 ARG CB . 30101 1 510 . 1 1 108 108 ARG N N 15 120.341 0.50 . 1 . . . A 105 ARG N . 30101 1 511 . 1 1 109 109 ASN H H 1 8.624 0.05 . 1 . . . A 106 ASN H . 30101 1 512 . 1 1 109 109 ASN HA H 1 4.529 0.05 . 1 . . . A 106 ASN HA . 30101 1 513 . 1 1 109 109 ASN HB2 H 1 3.073 0.05 . 2 . . . A 106 ASN HB2 . 30101 1 514 . 1 1 109 109 ASN HB3 H 1 2.861 0.05 . 2 . . . A 106 ASN HB3 . 30101 1 515 . 1 1 109 109 ASN C C 13 178.274 0.50 . 1 . . . A 106 ASN C . 30101 1 516 . 1 1 109 109 ASN CA C 13 55.191 0.50 . 1 . . . A 106 ASN CA . 30101 1 517 . 1 1 109 109 ASN CB C 13 37.044 0.50 . 1 . . . A 106 ASN CB . 30101 1 518 . 1 1 109 109 ASN N N 15 117.540 0.50 . 1 . . . A 106 ASN N . 30101 1 519 . 1 1 110 110 ARG H H 1 8.233 0.05 . 1 . . . A 107 ARG H . 30101 1 520 . 1 1 110 110 ARG HA H 1 4.384 0.05 . 1 . . . A 107 ARG HA . 30101 1 521 . 1 1 110 110 ARG HB2 H 1 2.580 0.05 . 2 . . . A 107 ARG HB2 . 30101 1 522 . 1 1 110 110 ARG C C 13 179.223 0.50 . 1 . . . A 107 ARG C . 30101 1 523 . 1 1 110 110 ARG CA C 13 59.431 0.50 . 1 . . . A 107 ARG CA . 30101 1 524 . 1 1 110 110 ARG CB C 13 29.553 0.50 . 1 . . . A 107 ARG CB . 30101 1 525 . 1 1 110 110 ARG N N 15 122.325 0.50 . 1 . . . A 107 ARG N . 30101 1 526 . 1 1 111 111 TRP H H 1 7.978 0.05 . 1 . . . A 108 TRP H . 30101 1 527 . 1 1 111 111 TRP HA H 1 3.687 0.05 . 1 . . . A 108 TRP HA . 30101 1 528 . 1 1 111 111 TRP HB2 H 1 3.279 0.05 . 2 . . . A 108 TRP HB2 . 30101 1 529 . 1 1 111 111 TRP C C 13 178.336 0.50 . 1 . . . A 108 TRP C . 30101 1 530 . 1 1 111 111 TRP CA C 13 62.244 0.50 . 1 . . . A 108 TRP CA . 30101 1 531 . 1 1 111 111 TRP CB C 13 27.043 0.50 . 1 . . . A 108 TRP CB . 30101 1 532 . 1 1 111 111 TRP N N 15 118.007 0.50 . 1 . . . A 108 TRP N . 30101 1 533 . 1 1 112 112 ARG H H 1 9.052 0.05 . 1 . . . A 109 ARG H . 30101 1 534 . 1 1 112 112 ARG HA H 1 3.779 0.05 . 1 . . . A 109 ARG HA . 30101 1 535 . 1 1 112 112 ARG HB2 H 1 1.855 0.05 . 2 . . . A 109 ARG HB2 . 30101 1 536 . 1 1 112 112 ARG C C 13 177.389 0.50 . 1 . . . A 109 ARG C . 30101 1 537 . 1 1 112 112 ARG CA C 13 60.067 0.50 . 1 . . . A 109 ARG CA . 30101 1 538 . 1 1 112 112 ARG CB C 13 29.274 0.50 . 1 . . . A 109 ARG CB . 30101 1 539 . 1 1 112 112 ARG N N 15 119.626 0.50 . 1 . . . A 109 ARG N . 30101 1 540 . 1 1 113 113 ARG H H 1 8.113 0.05 . 1 . . . A 110 ARG H . 30101 1 541 . 1 1 113 113 ARG HA H 1 4.107 0.05 . 1 . . . A 110 ARG HA . 30101 1 542 . 1 1 113 113 ARG HB2 H 1 2.013 0.05 . 2 . . . A 110 ARG HB2 . 30101 1 543 . 1 1 113 113 ARG C C 13 178.844 0.50 . 1 . . . A 110 ARG C . 30101 1 544 . 1 1 113 113 ARG CA C 13 58.371 0.50 . 1 . . . A 110 ARG CA . 30101 1 545 . 1 1 113 113 ARG CB C 13 28.685 0.50 . 1 . . . A 110 ARG CB . 30101 1 546 . 1 1 113 113 ARG N N 15 117.546 0.50 . 1 . . . A 110 ARG N . 30101 1 547 . 1 1 114 114 ILE H H 1 7.386 0.05 . 1 . . . A 111 ILE H . 30101 1 548 . 1 1 114 114 ILE HA H 1 3.501 0.05 . 1 . . . A 111 ILE HA . 30101 1 549 . 1 1 114 114 ILE HB H 1 1.974 0.05 . 1 . . . A 111 ILE HB . 30101 1 550 . 1 1 114 114 ILE HD11 H 1 0.159 0.05 . 1 . . . A 111 ILE HD11 . 30101 1 551 . 1 1 114 114 ILE HD12 H 1 0.159 0.05 . 1 . . . A 111 ILE HD12 . 30101 1 552 . 1 1 114 114 ILE HD13 H 1 0.159 0.05 . 1 . . . A 111 ILE HD13 . 30101 1 553 . 1 1 114 114 ILE C C 13 177.894 0.50 . 1 . . . A 111 ILE C . 30101 1 554 . 1 1 114 114 ILE CA C 13 64.663 0.50 . 1 . . . A 111 ILE CA . 30101 1 555 . 1 1 114 114 ILE CB C 13 35.353 0.50 . 1 . . . A 111 ILE CB . 30101 1 556 . 1 1 114 114 ILE CD1 C 13 13.143 0.50 . 1 . . . A 111 ILE CD1 . 30101 1 557 . 1 1 114 114 ILE N N 15 118.247 0.50 . 1 . . . A 111 ILE N . 30101 1 558 . 1 1 115 115 LEU H H 1 8.235 0.05 . 1 . . . A 112 LEU H . 30101 1 559 . 1 1 115 115 LEU HA H 1 4.186 0.05 . 1 . . . A 112 LEU HA . 30101 1 560 . 1 1 115 115 LEU HB2 H 1 2.427 0.05 . 2 . . . A 112 LEU HB2 . 30101 1 561 . 1 1 115 115 LEU HB3 H 1 2.049 0.05 . 2 . . . A 112 LEU HB3 . 30101 1 562 . 1 1 115 115 LEU HG H 1 1.457 0.05 . 1 . . . A 112 LEU HG . 30101 1 563 . 1 1 115 115 LEU HD11 H 1 1.004 0.05 . 1 . . . A 112 LEU HD11 . 30101 1 564 . 1 1 115 115 LEU HD12 H 1 1.004 0.05 . 1 . . . A 112 LEU HD12 . 30101 1 565 . 1 1 115 115 LEU HD13 H 1 1.004 0.05 . 1 . . . A 112 LEU HD13 . 30101 1 566 . 1 1 115 115 LEU C C 13 179.725 0.50 . 1 . . . A 112 LEU C . 30101 1 567 . 1 1 115 115 LEU CA C 13 58.133 0.50 . 1 . . . A 112 LEU CA . 30101 1 568 . 1 1 115 115 LEU CB C 13 39.800 0.50 . 1 . . . A 112 LEU CB . 30101 1 569 . 1 1 115 115 LEU CG C 13 26.188 0.50 . 1 . . . A 112 LEU CG . 30101 1 570 . 1 1 115 115 LEU CD1 C 13 23.664 0.50 . 1 . . . A 112 LEU CD1 . 30101 1 571 . 1 1 115 115 LEU N N 15 117.155 0.50 . 1 . . . A 112 LEU N . 30101 1 572 . 1 1 116 116 GLU H H 1 8.564 0.05 . 1 . . . A 113 GLU H . 30101 1 573 . 1 1 116 116 GLU HA H 1 3.742 0.05 . 1 . . . A 113 GLU HA . 30101 1 574 . 1 1 116 116 GLU HB2 H 1 2.353 0.05 . 2 . . . A 113 GLU HB2 . 30101 1 575 . 1 1 116 116 GLU C C 13 173.735 0.50 . 1 . . . A 113 GLU C . 30101 1 576 . 1 1 116 116 GLU CA C 13 59.811 0.50 . 1 . . . A 113 GLU CA . 30101 1 577 . 1 1 116 116 GLU CB C 13 27.798 0.50 . 1 . . . A 113 GLU CB . 30101 1 578 . 1 1 116 116 GLU N N 15 118.305 0.50 . 1 . . . A 113 GLU N . 30101 1 579 . 1 1 117 117 ASP H H 1 8.039 0.05 . 1 . . . A 114 ASP H . 30101 1 580 . 1 1 117 117 ASP HA H 1 4.397 0.05 . 1 . . . A 114 ASP HA . 30101 1 581 . 1 1 117 117 ASP HB2 H 1 2.593 0.05 . 2 . . . A 114 ASP HB2 . 30101 1 582 . 1 1 117 117 ASP C C 13 178.336 0.50 . 1 . . . A 114 ASP C . 30101 1 583 . 1 1 117 117 ASP CA C 13 56.915 0.50 . 1 . . . A 114 ASP CA . 30101 1 584 . 1 1 117 117 ASP CB C 13 39.718 0.50 . 1 . . . A 114 ASP CB . 30101 1 585 . 1 1 117 117 ASP N N 15 123.404 0.50 . 1 . . . A 114 ASP N . 30101 1 586 . 1 1 118 118 LEU H H 1 7.996 0.05 . 1 . . . A 115 LEU H . 30101 1 587 . 1 1 118 118 LEU HA H 1 4.173 0.05 . 1 . . . A 115 LEU HA . 30101 1 588 . 1 1 118 118 LEU HB2 H 1 2.027 0.05 . 2 . . . A 115 LEU HB2 . 30101 1 589 . 1 1 118 118 LEU HB3 H 1 1.763 0.05 . 2 . . . A 115 LEU HB3 . 30101 1 590 . 1 1 118 118 LEU HD21 H 1 0.997 0.05 . 1 . . . A 115 LEU HD21 . 30101 1 591 . 1 1 118 118 LEU HD22 H 1 0.997 0.05 . 1 . . . A 115 LEU HD22 . 30101 1 592 . 1 1 118 118 LEU HD23 H 1 0.997 0.05 . 1 . . . A 115 LEU HD23 . 30101 1 593 . 1 1 118 118 LEU C C 13 176.378 0.50 . 1 . . . A 115 LEU C . 30101 1 594 . 1 1 118 118 LEU CA C 13 54.723 0.50 . 1 . . . A 115 LEU CA . 30101 1 595 . 1 1 118 118 LEU CB C 13 42.380 0.50 . 1 . . . A 115 LEU CB . 30101 1 596 . 1 1 118 118 LEU CD2 C 13 23.806 0.50 . 1 . . . A 115 LEU CD2 . 30101 1 597 . 1 1 118 118 LEU N N 15 117.967 0.50 . 1 . . . A 115 LEU N . 30101 1 598 . 1 1 119 119 GLY H H 1 7.750 0.05 . 1 . . . A 116 GLY H . 30101 1 599 . 1 1 119 119 GLY HA2 H 1 4.173 0.05 . 1 . . . A 116 GLY HA2 . 30101 1 600 . 1 1 119 119 GLY HA3 H 1 3.910 0.05 . 1 . . . A 116 GLY HA3 . 30101 1 601 . 1 1 119 119 GLY C C 13 175.558 0.50 . 1 . . . A 116 GLY C . 30101 1 602 . 1 1 119 119 GLY CA C 13 44.321 0.50 . 1 . . . A 116 GLY CA . 30101 1 603 . 1 1 119 119 GLY N N 15 124.834 0.50 . 1 . . . A 116 GLY N . 30101 1 604 . 1 1 120 120 PHE H H 1 8.210 0.05 . 1 . . . A 117 PHE H . 30101 1 605 . 1 1 120 120 PHE HA H 1 4.186 0.05 . 1 . . . A 117 PHE HA . 30101 1 606 . 1 1 120 120 PHE HB2 H 1 3.357 0.05 . 2 . . . A 117 PHE HB2 . 30101 1 607 . 1 1 120 120 PHE HB3 H 1 2.685 0.05 . 2 . . . A 117 PHE HB3 . 30101 1 608 . 1 1 120 120 PHE HD1 H 1 7.198 0.05 . 1 . . . A 117 PHE HD1 . 30101 1 609 . 1 1 120 120 PHE C C 13 175.997 0.50 . 1 . . . A 117 PHE C . 30101 1 610 . 1 1 120 120 PHE CA C 13 55.751 0.50 . 1 . . . A 117 PHE CA . 30101 1 611 . 1 1 120 120 PHE CB C 13 36.807 0.50 . 1 . . . A 117 PHE CB . 30101 1 612 . 1 1 120 120 PHE N N 15 120.131 0.50 . 1 . . . A 117 PHE N . 30101 1 613 . 1 1 121 121 GLN H H 1 8.725 0.05 . 1 . . . A 118 GLN H . 30101 1 614 . 1 1 121 121 GLN HA H 1 3.896 0.05 . 1 . . . A 118 GLN HA . 30101 1 615 . 1 1 121 121 GLN HB2 H 1 2.185 0.05 . 2 . . . A 118 GLN HB2 . 30101 1 616 . 1 1 121 121 GLN C C 13 178.272 0.50 . 1 . . . A 118 GLN C . 30101 1 617 . 1 1 121 121 GLN CA C 13 60.058 0.50 . 1 . . . A 118 GLN CA . 30101 1 618 . 1 1 121 121 GLN CB C 13 27.113 0.50 . 1 . . . A 118 GLN CB . 30101 1 619 . 1 1 121 121 GLN N N 15 119.193 0.50 . 1 . . . A 118 GLN N . 30101 1 620 . 1 1 122 122 ARG H H 1 8.808 0.05 . 1 . . . A 119 ARG H . 30101 1 621 . 1 1 122 122 ARG HA H 1 4.147 0.05 . 1 . . . A 119 ARG HA . 30101 1 622 . 1 1 122 122 ARG HB2 H 1 1.842 0.05 . 2 . . . A 119 ARG HB2 . 30101 1 623 . 1 1 122 122 ARG C C 13 178.148 0.50 . 1 . . . A 119 ARG C . 30101 1 624 . 1 1 122 122 ARG CA C 13 58.111 0.50 . 1 . . . A 119 ARG CA . 30101 1 625 . 1 1 122 122 ARG CB C 13 28.563 0.50 . 1 . . . A 119 ARG CB . 30101 1 626 . 1 1 122 122 ARG N N 15 117.820 0.50 . 1 . . . A 119 ARG N . 30101 1 627 . 1 1 123 123 GLU H H 1 8.610 0.05 . 1 . . . A 120 GLU H . 30101 1 628 . 1 1 123 123 GLU HA H 1 4.410 0.05 . 1 . . . A 120 GLU HA . 30101 1 629 . 1 1 123 123 GLU HB2 H 1 2.040 0.05 . 2 . . . A 120 GLU HB2 . 30101 1 630 . 1 1 123 123 GLU C C 13 177.199 0.50 . 1 . . . A 120 GLU C . 30101 1 631 . 1 1 123 123 GLU CA C 13 56.900 0.50 . 1 . . . A 120 GLU CA . 30101 1 632 . 1 1 123 123 GLU CB C 13 28.788 0.50 . 1 . . . A 120 GLU CB . 30101 1 633 . 1 1 123 123 GLU N N 15 117.074 0.50 . 1 . . . A 120 GLU N . 30101 1 634 . 1 1 124 124 ALA H H 1 7.834 0.05 . 1 . . . A 121 ALA H . 30101 1 635 . 1 1 124 124 ALA HA H 1 3.870 0.05 . 1 . . . A 121 ALA HA . 30101 1 636 . 1 1 124 124 ALA HB1 H 1 1.513 0.05 . 1 . . . A 121 ALA HB1 . 30101 1 637 . 1 1 124 124 ALA HB2 H 1 1.513 0.05 . 1 . . . A 121 ALA HB2 . 30101 1 638 . 1 1 124 124 ALA HB3 H 1 1.513 0.05 . 1 . . . A 121 ALA HB3 . 30101 1 639 . 1 1 124 124 ALA C C 13 177.833 0.50 . 1 . . . A 121 ALA C . 30101 1 640 . 1 1 124 124 ALA CA C 13 56.422 0.50 . 1 . . . A 121 ALA CA . 30101 1 641 . 1 1 124 124 ALA CB C 13 17.435 0.50 . 1 . . . A 121 ALA CB . 30101 1 642 . 1 1 124 124 ALA N N 15 122.400 0.50 . 1 . . . A 121 ALA N . 30101 1 643 . 1 1 125 125 ASP H H 1 8.502 0.05 . 1 . . . A 122 ASP H . 30101 1 644 . 1 1 125 125 ASP HA H 1 4.331 0.05 . 1 . . . A 122 ASP HA . 30101 1 645 . 1 1 125 125 ASP HB2 H 1 2.593 0.05 . 1 . . . A 122 ASP HB2 . 30101 1 646 . 1 1 125 125 ASP C C 13 179.036 0.50 . 1 . . . A 122 ASP C . 30101 1 647 . 1 1 125 125 ASP CA C 13 57.389 0.50 . 1 . . . A 122 ASP CA . 30101 1 648 . 1 1 125 125 ASP CB C 13 39.467 0.50 . 1 . . . A 122 ASP CB . 30101 1 649 . 1 1 125 125 ASP N N 15 113.966 0.50 . 1 . . . A 122 ASP N . 30101 1 650 . 1 1 126 126 SER H H 1 8.127 0.05 . 1 . . . A 123 SER H . 30101 1 651 . 1 1 126 126 SER HA H 1 4.199 0.05 . 1 . . . A 123 SER HA . 30101 1 652 . 1 1 126 126 SER HB2 H 1 3.923 0.05 . 1 . . . A 123 SER HB2 . 30101 1 653 . 1 1 126 126 SER HB3 H 1 3.607 0.05 . 1 . . . A 123 SER HB3 . 30101 1 654 . 1 1 126 126 SER C C 13 177.704 0.50 . 1 . . . A 123 SER C . 30101 1 655 . 1 1 126 126 SER CA C 13 60.766 0.50 . 1 . . . A 123 SER CA . 30101 1 656 . 1 1 126 126 SER CB C 13 62.087 0.50 . 1 . . . A 123 SER CB . 30101 1 657 . 1 1 126 126 SER N N 15 116.226 0.50 . 1 . . . A 123 SER N . 30101 1 658 . 1 1 127 127 LEU H H 1 8.421 0.05 . 1 . . . A 124 LEU H . 30101 1 659 . 1 1 127 127 LEU HA H 1 3.962 0.05 . 1 . . . A 124 LEU HA . 30101 1 660 . 1 1 127 127 LEU HB2 H 1 1.921 0.05 . 2 . . . A 124 LEU HB2 . 30101 1 661 . 1 1 127 127 LEU HG H 1 1.112 0.05 . 1 . . . A 124 LEU HG . 30101 1 662 . 1 1 127 127 LEU HD11 H 1 0.621 0.05 . 1 . . . A 124 LEU HD11 . 30101 1 663 . 1 1 127 127 LEU HD12 H 1 0.621 0.05 . 1 . . . A 124 LEU HD12 . 30101 1 664 . 1 1 127 127 LEU HD13 H 1 0.621 0.05 . 1 . . . A 124 LEU HD13 . 30101 1 665 . 1 1 127 127 LEU HD21 H 1 0.658 0.05 . 1 . . . A 124 LEU HD21 . 30101 1 666 . 1 1 127 127 LEU HD22 H 1 0.658 0.05 . 1 . . . A 124 LEU HD22 . 30101 1 667 . 1 1 127 127 LEU HD23 H 1 0.658 0.05 . 1 . . . A 124 LEU HD23 . 30101 1 668 . 1 1 127 127 LEU C C 13 178.147 0.50 . 1 . . . A 124 LEU C . 30101 1 669 . 1 1 127 127 LEU CA C 13 57.363 0.50 . 1 . . . A 124 LEU CA . 30101 1 670 . 1 1 127 127 LEU CB C 13 41.410 0.50 . 1 . . . A 124 LEU CB . 30101 1 671 . 1 1 127 127 LEU CG C 13 25.360 0.50 . 1 . . . A 124 LEU CG . 30101 1 672 . 1 1 127 127 LEU CD1 C 13 23.490 0.50 . 1 . . . A 124 LEU CD1 . 30101 1 673 . 1 1 127 127 LEU CD2 C 13 23.253 0.50 . 1 . . . A 124 LEU CD2 . 30101 1 674 . 1 1 127 127 LEU N N 15 122.555 0.50 . 1 . . . A 124 LEU N . 30101 1 675 . 1 1 128 128 LEU H H 1 7.403 0.05 . 1 . . . A 125 LEU H . 30101 1 676 . 1 1 128 128 LEU HA H 1 4.120 0.05 . 1 . . . A 125 LEU HA . 30101 1 677 . 1 1 128 128 LEU HB2 H 1 1.778 0.05 . 2 . . . A 125 LEU HB2 . 30101 1 678 . 1 1 128 128 LEU HG H 1 1.541 0.05 . 1 . . . A 125 LEU HG . 30101 1 679 . 1 1 128 128 LEU HD11 H 1 0.850 0.05 . 1 . . . A 125 LEU HD11 . 30101 1 680 . 1 1 128 128 LEU HD12 H 1 0.850 0.05 . 1 . . . A 125 LEU HD12 . 30101 1 681 . 1 1 128 128 LEU HD13 H 1 0.850 0.05 . 1 . . . A 125 LEU HD13 . 30101 1 682 . 1 1 128 128 LEU HD21 H 1 0.887 0.05 . 1 . . . A 125 LEU HD21 . 30101 1 683 . 1 1 128 128 LEU HD22 H 1 0.887 0.05 . 1 . . . A 125 LEU HD22 . 30101 1 684 . 1 1 128 128 LEU HD23 H 1 0.887 0.05 . 1 . . . A 125 LEU HD23 . 30101 1 685 . 1 1 128 128 LEU C C 13 176.882 0.50 . 1 . . . A 125 LEU C . 30101 1 686 . 1 1 128 128 LEU CA C 13 54.004 0.50 . 1 . . . A 125 LEU CA . 30101 1 687 . 1 1 128 128 LEU CB C 13 41.379 0.50 . 1 . . . A 125 LEU CB . 30101 1 688 . 1 1 128 128 LEU CG C 13 25.493 0.50 . 1 . . . A 125 LEU CG . 30101 1 689 . 1 1 128 128 LEU CD1 C 13 23.084 0.50 . 1 . . . A 125 LEU CD1 . 30101 1 690 . 1 1 128 128 LEU CD2 C 13 23.057 0.50 . 1 . . . A 125 LEU CD2 . 30101 1 691 . 1 1 128 128 LEU N N 15 113.160 0.50 . 1 . . . A 125 LEU N . 30101 1 692 . 1 1 129 129 SER H H 1 7.230 0.05 . 1 . . . A 126 SER H . 30101 1 693 . 1 1 129 129 SER HA H 1 4.525 0.05 . 1 . . . A 126 SER HA . 30101 1 694 . 1 1 129 129 SER HB2 H 1 4.017 0.05 . 1 . . . A 126 SER HB2 . 30101 1 695 . 1 1 129 129 SER C C 13 176.129 0.50 . 1 . . . A 126 SER C . 30101 1 696 . 1 1 129 129 SER CA C 13 57.877 0.50 . 1 . . . A 126 SER CA . 30101 1 697 . 1 1 129 129 SER CB C 13 62.480 0.50 . 1 . . . A 126 SER CB . 30101 1 698 . 1 1 129 129 SER N N 15 115.273 0.50 . 1 . . . A 126 SER N . 30101 1 699 . 1 1 130 130 VAL H H 1 8.401 0.05 . 1 . . . A 127 VAL H . 30101 1 700 . 1 1 130 130 VAL HA H 1 4.433 0.05 . 1 . . . A 127 VAL HA . 30101 1 701 . 1 1 130 130 VAL HB H 1 1.726 0.05 . 1 . . . A 127 VAL HB . 30101 1 702 . 1 1 130 130 VAL HG21 H 1 1.007 0.05 . 1 . . . A 127 VAL HG21 . 30101 1 703 . 1 1 130 130 VAL HG22 H 1 1.007 0.05 . 1 . . . A 127 VAL HG22 . 30101 1 704 . 1 1 130 130 VAL HG23 H 1 1.007 0.05 . 1 . . . A 127 VAL HG23 . 30101 1 705 . 1 1 130 130 VAL CA C 13 59.062 0.50 . 1 . . . A 127 VAL CA . 30101 1 706 . 1 1 130 130 VAL CB C 13 29.312 0.50 . 1 . . . A 127 VAL CB . 30101 1 707 . 1 1 130 130 VAL CG2 C 13 26.689 0.50 . 1 . . . A 127 VAL CG2 . 30101 1 708 . 1 1 130 130 VAL N N 15 121.476 0.50 . 1 . . . A 127 VAL N . 30101 1 709 . 1 1 132 132 LYS HA H 1 4.173 0.05 . 1 . . . A 129 LYS HA . 30101 1 710 . 1 1 132 132 LYS HB2 H 1 1.631 0.05 . 2 . . . A 129 LYS HB2 . 30101 1 711 . 1 1 132 132 LYS C C 13 175.998 0.50 . 1 . . . A 129 LYS C . 30101 1 712 . 1 1 132 132 LYS CA C 13 56.929 0.50 . 1 . . . A 129 LYS CA . 30101 1 713 . 1 1 132 132 LYS CB C 13 30.978 0.50 . 1 . . . A 129 LYS CB . 30101 1 714 . 1 1 133 133 LEU H H 1 7.960 0.05 . 1 . . . A 130 LEU H . 30101 1 715 . 1 1 133 133 LEU HA H 1 4.317 0.05 . 1 . . . A 130 LEU HA . 30101 1 716 . 1 1 133 133 LEU HG H 1 1.500 0.05 . 1 . . . A 130 LEU HG . 30101 1 717 . 1 1 133 133 LEU HD21 H 1 0.760 0.05 . 1 . . . A 130 LEU HD21 . 30101 1 718 . 1 1 133 133 LEU HD22 H 1 0.760 0.05 . 1 . . . A 130 LEU HD22 . 30101 1 719 . 1 1 133 133 LEU HD23 H 1 0.760 0.05 . 1 . . . A 130 LEU HD23 . 30101 1 720 . 1 1 133 133 LEU C C 13 177.896 0.50 . 1 . . . A 130 LEU C . 30101 1 721 . 1 1 133 133 LEU CA C 13 54.244 0.50 . 1 . . . A 130 LEU CA . 30101 1 722 . 1 1 133 133 LEU CB C 13 40.920 0.50 . 1 . . . A 130 LEU CB . 30101 1 723 . 1 1 133 133 LEU CG C 13 26.248 0.50 . 1 . . . A 130 LEU CG . 30101 1 724 . 1 1 133 133 LEU CD2 C 13 22.337 0.50 . 1 . . . A 130 LEU CD2 . 30101 1 725 . 1 1 133 133 LEU N N 15 118.631 0.50 . 1 . . . A 130 LEU N . 30101 1 726 . 1 1 134 134 SER H H 1 7.855 0.05 . 1 . . . A 131 SER H . 30101 1 727 . 1 1 134 134 SER HA H 1 4.357 0.05 . 1 . . . A 131 SER HA . 30101 1 728 . 1 1 134 134 SER HB2 H 1 3.872 0.05 . 2 . . . A 131 SER HB2 . 30101 1 729 . 1 1 134 134 SER C C 13 173.782 0.50 . 1 . . . A 131 SER C . 30101 1 730 . 1 1 134 134 SER CA C 13 58.858 0.50 . 1 . . . A 131 SER CA . 30101 1 731 . 1 1 134 134 SER CB C 13 62.233 0.50 . 1 . . . A 131 SER CB . 30101 1 732 . 1 1 134 134 SER N N 15 117.000 0.50 . 1 . . . A 131 SER N . 30101 1 733 . 1 1 135 135 THR H H 1 8.168 0.05 . 1 . . . A 132 THR H . 30101 1 734 . 1 1 135 135 THR HA H 1 4.430 0.05 . 1 . . . A 132 THR HA . 30101 1 735 . 1 1 135 135 THR HB H 1 3.872 0.05 . 1 . . . A 132 THR HB . 30101 1 736 . 1 1 135 135 THR C C 13 174.288 0.50 . 1 . . . A 132 THR C . 30101 1 737 . 1 1 135 135 THR CA C 13 60.305 0.50 . 1 . . . A 132 THR CA . 30101 1 738 . 1 1 135 135 THR CB C 13 70.208 0.50 . 1 . . . A 132 THR CB . 30101 1 739 . 1 1 135 135 THR N N 15 114.885 0.50 . 1 . . . A 132 THR N . 30101 1 740 . 1 1 136 136 MET H H 1 8.378 0.05 . 1 . . . A 133 MET H . 30101 1 741 . 1 1 136 136 MET HA H 1 4.452 0.05 . 1 . . . A 133 MET HA . 30101 1 742 . 1 1 136 136 MET HB2 H 1 2.105 0.05 . 1 . . . A 133 MET HB2 . 30101 1 743 . 1 1 136 136 MET CA C 13 54.731 0.50 . 1 . . . A 133 MET CA . 30101 1 744 . 1 1 136 136 MET CB C 13 39.702 0.50 . 1 . . . A 133 MET CB . 30101 1 745 . 1 1 136 136 MET N N 15 121.293 0.50 . 1 . . . A 133 MET N . 30101 1 746 . 1 1 137 137 SER HA H 1 4.344 0.05 . 1 . . . A 134 SER HA . 30101 1 747 . 1 1 137 137 SER HB2 H 1 3.975 0.05 . 1 . . . A 134 SER HB2 . 30101 1 748 . 1 1 137 137 SER HB3 H 1 3.870 0.05 . 1 . . . A 134 SER HB3 . 30101 1 749 . 1 1 137 137 SER C C 13 174.731 0.50 . 1 . . . A 134 SER C . 30101 1 750 . 1 1 137 137 SER CA C 13 59.549 0.50 . 1 . . . A 134 SER CA . 30101 1 751 . 1 1 137 137 SER CB C 13 62.138 0.50 . 1 . . . A 134 SER CB . 30101 1 752 . 1 1 138 138 ASP H H 1 7.958 0.05 . 1 . . . A 135 ASP H . 30101 1 753 . 1 1 138 138 ASP HA H 1 4.502 0.05 . 1 . . . A 135 ASP HA . 30101 1 754 . 1 1 138 138 ASP HB2 H 1 2.185 0.05 . 2 . . . A 135 ASP HB2 . 30101 1 755 . 1 1 138 138 ASP C C 13 175.555 0.50 . 1 . . . A 135 ASP C . 30101 1 756 . 1 1 138 138 ASP CA C 13 53.517 0.50 . 1 . . . A 135 ASP CA . 30101 1 757 . 1 1 138 138 ASP CB C 13 41.173 0.50 . 1 . . . A 135 ASP CB . 30101 1 758 . 1 1 138 138 ASP N N 15 119.826 0.50 . 1 . . . A 135 ASP N . 30101 1 759 . 1 1 139 139 SER H H 1 7.919 0.05 . 1 . . . A 136 SER H . 30101 1 760 . 1 1 139 139 SER HA H 1 4.265 0.05 . 1 . . . A 136 SER HA . 30101 1 761 . 1 1 139 139 SER HB2 H 1 3.910 0.05 . 2 . . . A 136 SER HB2 . 30101 1 762 . 1 1 139 139 SER C C 13 176.061 0.50 . 1 . . . A 136 SER C . 30101 1 763 . 1 1 139 139 SER CA C 13 57.642 0.50 . 1 . . . A 136 SER CA . 30101 1 764 . 1 1 139 139 SER CB C 13 63.876 0.50 . 1 . . . A 136 SER CB . 30101 1 765 . 1 1 139 139 SER N N 15 116.142 0.50 . 1 . . . A 136 SER N . 30101 1 766 . 1 1 140 140 LYS H H 1 8.812 0.05 . 1 . . . A 137 LYS H . 30101 1 767 . 1 1 140 140 LYS HA H 1 4.265 0.05 . 1 . . . A 137 LYS HA . 30101 1 768 . 1 1 140 140 LYS HB2 H 1 1.855 0.05 . 2 . . . A 137 LYS HB2 . 30101 1 769 . 1 1 140 140 LYS C C 13 177.705 0.50 . 1 . . . A 137 LYS C . 30101 1 770 . 1 1 140 140 LYS CA C 13 57.152 0.50 . 1 . . . A 137 LYS CA . 30101 1 771 . 1 1 140 140 LYS CB C 13 31.242 0.50 . 1 . . . A 137 LYS CB . 30101 1 772 . 1 1 140 140 LYS N N 15 123.384 0.50 . 1 . . . A 137 LYS N . 30101 1 773 . 1 1 141 141 ASN H H 1 8.659 0.05 . 1 . . . A 138 ASN H . 30101 1 774 . 1 1 141 141 ASN HA H 1 4.301 0.05 . 1 . . . A 138 ASN HA . 30101 1 775 . 1 1 141 141 ASN HB2 H 1 2.957 0.05 . 1 . . . A 138 ASN HB2 . 30101 1 776 . 1 1 141 141 ASN CA C 13 53.025 0.50 . 1 . . . A 138 ASN CA . 30101 1 777 . 1 1 141 141 ASN CB C 13 38.013 0.50 . 1 . . . A 138 ASN CB . 30101 1 778 . 1 1 141 141 ASN N N 15 118.403 0.50 . 1 . . . A 138 ASN N . 30101 1 779 . 1 1 143 143 ARG HA H 1 4.002 0.05 . 1 . . . A 140 ARG HA . 30101 1 780 . 1 1 143 143 ARG HB2 H 1 1.829 0.05 . 1 . . . A 140 ARG HB2 . 30101 1 781 . 1 1 143 143 ARG C C 13 178.592 0.50 . 1 . . . A 140 ARG C . 30101 1 782 . 1 1 143 143 ARG CA C 13 59.256 0.50 . 1 . . . A 140 ARG CA . 30101 1 783 . 1 1 143 143 ARG CB C 13 28.326 0.50 . 1 . . . A 140 ARG CB . 30101 1 784 . 1 1 144 144 LYS H H 1 8.059 0.05 . 1 . . . A 141 LYS H . 30101 1 785 . 1 1 144 144 LYS HA H 1 4.054 0.05 . 1 . . . A 141 LYS HA . 30101 1 786 . 1 1 144 144 LYS HB2 H 1 1.829 0.05 . 1 . . . A 141 LYS HB2 . 30101 1 787 . 1 1 144 144 LYS C C 13 179.033 0.50 . 1 . . . A 141 LYS C . 30101 1 788 . 1 1 144 144 LYS CA C 13 58.382 0.50 . 1 . . . A 141 LYS CA . 30101 1 789 . 1 1 144 144 LYS CB C 13 31.179 0.50 . 1 . . . A 141 LYS CB . 30101 1 790 . 1 1 144 144 LYS N N 15 119.114 0.50 . 1 . . . A 141 LYS N . 30101 1 791 . 1 1 145 145 ALA H H 1 8.552 0.05 . 1 . . . A 142 ALA H . 30101 1 792 . 1 1 145 145 ALA HA H 1 4.028 0.05 . 1 . . . A 142 ALA HA . 30101 1 793 . 1 1 145 145 ALA HB1 H 1 1.434 0.05 . 1 . . . A 142 ALA HB1 . 30101 1 794 . 1 1 145 145 ALA HB2 H 1 1.434 0.05 . 1 . . . A 142 ALA HB2 . 30101 1 795 . 1 1 145 145 ALA HB3 H 1 1.434 0.05 . 1 . . . A 142 ALA HB3 . 30101 1 796 . 1 1 145 145 ALA C C 13 178.717 0.50 . 1 . . . A 142 ALA C . 30101 1 797 . 1 1 145 145 ALA CA C 13 54.496 0.50 . 1 . . . A 142 ALA CA . 30101 1 798 . 1 1 145 145 ALA CB C 13 16.930 0.50 . 1 . . . A 142 ALA CB . 30101 1 799 . 1 1 145 145 ALA N N 15 122.130 0.50 . 1 . . . A 142 ALA N . 30101 1 800 . 1 1 146 146 ARG H H 1 8.266 0.05 . 1 . . . A 143 ARG H . 30101 1 801 . 1 1 146 146 ARG HA H 1 3.949 0.05 . 1 . . . A 143 ARG HA . 30101 1 802 . 1 1 146 146 ARG HB2 H 1 1.973 0.05 . 2 . . . A 143 ARG HB2 . 30101 1 803 . 1 1 146 146 ARG C C 13 178.275 0.50 . 1 . . . A 143 ARG C . 30101 1 804 . 1 1 146 146 ARG CA C 13 59.330 0.50 . 1 . . . A 143 ARG CA . 30101 1 805 . 1 1 146 146 ARG CB C 13 28.566 0.50 . 1 . . . A 143 ARG CB . 30101 1 806 . 1 1 146 146 ARG N N 15 118.560 0.50 . 1 . . . A 143 ARG N . 30101 1 807 . 1 1 147 147 GLU H H 1 8.125 0.05 . 1 . . . A 144 GLU H . 30101 1 808 . 1 1 147 147 GLU HA H 1 4.436 0.05 . 1 . . . A 144 GLU HA . 30101 1 809 . 1 1 147 147 GLU HB2 H 1 2.237 0.05 . 2 . . . A 144 GLU HB2 . 30101 1 810 . 1 1 147 147 GLU HB3 H 1 2.106 0.05 . 2 . . . A 144 GLU HB3 . 30101 1 811 . 1 1 147 147 GLU C C 13 177.706 0.50 . 1 . . . A 144 GLU C . 30101 1 812 . 1 1 147 147 GLU CA C 13 56.915 0.50 . 1 . . . A 144 GLU CA . 30101 1 813 . 1 1 147 147 GLU CB C 13 29.778 0.50 . 1 . . . A 144 GLU CB . 30101 1 814 . 1 1 147 147 GLU N N 15 118.367 0.50 . 1 . . . A 144 GLU N . 30101 1 815 . 1 1 148 148 MET H H 1 8.701 0.05 . 1 . . . A 145 MET H . 30101 1 816 . 1 1 148 148 MET HA H 1 3.791 0.05 . 1 . . . A 145 MET HA . 30101 1 817 . 1 1 148 148 MET HB2 H 1 2.048 0.05 . 2 . . . A 145 MET HB2 . 30101 1 818 . 1 1 148 148 MET C C 13 178.275 0.50 . 1 . . . A 145 MET C . 30101 1 819 . 1 1 148 148 MET CA C 13 57.872 0.50 . 1 . . . A 145 MET CA . 30101 1 820 . 1 1 148 148 MET CB C 13 40.693 0.50 . 1 . . . A 145 MET CB . 30101 1 821 . 1 1 148 148 MET N N 15 121.545 0.50 . 1 . . . A 145 MET N . 30101 1 822 . 1 1 149 149 LEU H H 1 8.099 0.05 . 1 . . . A 146 LEU H . 30101 1 823 . 1 1 149 149 LEU HA H 1 4.564 0.05 . 1 . . . A 146 LEU HA . 30101 1 824 . 1 1 149 149 LEU HB2 H 1 2.027 0.05 . 2 . . . A 146 LEU HB2 . 30101 1 825 . 1 1 149 149 LEU HB3 H 1 1.750 0.05 . 2 . . . A 146 LEU HB3 . 30101 1 826 . 1 1 149 149 LEU HG H 1 1.661 0.05 . 1 . . . A 146 LEU HG . 30101 1 827 . 1 1 149 149 LEU C C 13 178.659 0.50 . 1 . . . A 146 LEU C . 30101 1 828 . 1 1 149 149 LEU CA C 13 58.828 0.50 . 1 . . . A 146 LEU CA . 30101 1 829 . 1 1 149 149 LEU CB C 13 38.386 0.50 . 1 . . . A 146 LEU CB . 30101 1 830 . 1 1 149 149 LEU CG C 13 26.418 0.50 . 1 . . . A 146 LEU CG . 30101 1 831 . 1 1 149 149 LEU N N 15 117.603 0.50 . 1 . . . A 146 LEU N . 30101 1 832 . 1 1 150 150 LEU H H 1 8.343 0.05 . 1 . . . A 147 LEU H . 30101 1 833 . 1 1 150 150 LEU HA H 1 4.168 0.05 . 1 . . . A 147 LEU HA . 30101 1 834 . 1 1 150 150 LEU HB2 H 1 1.750 0.05 . 2 . . . A 147 LEU HB2 . 30101 1 835 . 1 1 150 150 LEU C C 13 179.030 0.50 . 1 . . . A 147 LEU C . 30101 1 836 . 1 1 150 150 LEU CA C 13 57.588 0.50 . 1 . . . A 147 LEU CA . 30101 1 837 . 1 1 150 150 LEU CB C 13 40.390 0.50 . 1 . . . A 147 LEU CB . 30101 1 838 . 1 1 150 150 LEU N N 15 118.529 0.50 . 1 . . . A 147 LEU N . 30101 1 839 . 1 1 151 151 LYS H H 1 7.875 0.05 . 1 . . . A 148 LYS H . 30101 1 840 . 1 1 151 151 LYS HA H 1 4.173 0.05 . 1 . . . A 148 LYS HA . 30101 1 841 . 1 1 151 151 LYS C C 13 179.847 0.50 . 1 . . . A 148 LYS C . 30101 1 842 . 1 1 151 151 LYS CA C 13 59.382 0.50 . 1 . . . A 148 LYS CA . 30101 1 843 . 1 1 151 151 LYS CB C 13 31.451 0.50 . 1 . . . A 148 LYS CB . 30101 1 844 . 1 1 151 151 LYS N N 15 120.227 0.50 . 1 . . . A 148 LYS N . 30101 1 845 . 1 1 152 152 LEU H H 1 8.709 0.05 . 1 . . . A 149 LEU H . 30101 1 846 . 1 1 152 152 LEU HA H 1 4.206 0.05 . 1 . . . A 149 LEU HA . 30101 1 847 . 1 1 152 152 LEU HB2 H 1 1.566 0.05 . 2 . . . A 149 LEU HB2 . 30101 1 848 . 1 1 152 152 LEU HB3 H 1 1.342 0.05 . 2 . . . A 149 LEU HB3 . 30101 1 849 . 1 1 152 152 LEU HG H 1 1.402 0.05 . 1 . . . A 149 LEU HG . 30101 1 850 . 1 1 152 152 LEU C C 13 174.355 0.50 . 1 . . . A 149 LEU C . 30101 1 851 . 1 1 152 152 LEU CA C 13 57.633 0.50 . 1 . . . A 149 LEU CA . 30101 1 852 . 1 1 152 152 LEU CB C 13 41.333 0.50 . 1 . . . A 149 LEU CB . 30101 1 853 . 1 1 152 152 LEU CG C 13 26.328 0.50 . 1 . . . A 149 LEU CG . 30101 1 854 . 1 1 152 152 LEU N N 15 119.259 0.50 . 1 . . . A 149 LEU N . 30101 1 855 . 1 1 153 153 ALA H H 1 8.360 0.05 . 1 . . . A 150 ALA H . 30101 1 856 . 1 1 153 153 ALA HA H 1 4.779 0.05 . 1 . . . A 150 ALA HA . 30101 1 857 . 1 1 153 153 ALA HB1 H 1 1.671 0.05 . 1 . . . A 150 ALA HB1 . 30101 1 858 . 1 1 153 153 ALA HB2 H 1 1.671 0.05 . 1 . . . A 150 ALA HB2 . 30101 1 859 . 1 1 153 153 ALA HB3 H 1 1.671 0.05 . 1 . . . A 150 ALA HB3 . 30101 1 860 . 1 1 153 153 ALA C C 13 178.590 0.50 . 1 . . . A 150 ALA C . 30101 1 861 . 1 1 153 153 ALA CA C 13 53.737 0.50 . 1 . . . A 150 ALA CA . 30101 1 862 . 1 1 153 153 ALA CB C 13 17.900 0.50 . 1 . . . A 150 ALA CB . 30101 1 863 . 1 1 153 153 ALA N N 15 121.494 0.50 . 1 . . . A 150 ALA N . 30101 1 864 . 1 1 154 154 GLU H H 1 8.506 0.05 . 1 . . . A 151 GLU H . 30101 1 865 . 1 1 154 154 GLU HA H 1 4.423 0.05 . 1 . . . A 151 GLU HA . 30101 1 866 . 1 1 154 154 GLU HB2 H 1 2.279 0.05 . 2 . . . A 151 GLU HB2 . 30101 1 867 . 1 1 154 154 GLU C C 13 179.096 0.50 . 1 . . . A 151 GLU C . 30101 1 868 . 1 1 154 154 GLU CA C 13 57.615 0.50 . 1 . . . A 151 GLU CA . 30101 1 869 . 1 1 154 154 GLU CB C 13 30.503 0.50 . 1 . . . A 151 GLU CB . 30101 1 870 . 1 1 154 154 GLU N N 15 114.569 0.50 . 1 . . . A 151 GLU N . 30101 1 871 . 1 1 155 155 GLU H H 1 8.808 0.05 . 1 . . . A 152 GLU H . 30101 1 872 . 1 1 155 155 GLU HA H 1 4.673 0.05 . 1 . . . A 152 GLU HA . 30101 1 873 . 1 1 155 155 GLU HB2 H 1 1.686 0.05 . 1 . . . A 152 GLU HB2 . 30101 1 874 . 1 1 155 155 GLU C C 13 175.492 0.50 . 1 . . . A 152 GLU C . 30101 1 875 . 1 1 155 155 GLU CA C 13 55.707 0.50 . 1 . . . A 152 GLU CA . 30101 1 876 . 1 1 155 155 GLU CB C 13 29.785 0.50 . 1 . . . A 152 GLU CB . 30101 1 877 . 1 1 155 155 GLU N N 15 113.940 0.50 . 1 . . . A 152 GLU N . 30101 1 878 . 1 1 156 156 THR H H 1 7.693 0.05 . 1 . . . A 153 THR H . 30101 1 879 . 1 1 156 156 THR HA H 1 5.042 0.05 . 1 . . . A 153 THR HA . 30101 1 880 . 1 1 156 156 THR HB H 1 4.502 0.05 . 1 . . . A 153 THR HB . 30101 1 881 . 1 1 156 156 THR C C 13 173.277 0.50 . 1 . . . A 153 THR C . 30101 1 882 . 1 1 156 156 THR CA C 13 59.579 0.50 . 1 . . . A 153 THR CA . 30101 1 883 . 1 1 156 156 THR CB C 13 71.212 0.50 . 1 . . . A 153 THR CB . 30101 1 884 . 1 1 156 156 THR N N 15 109.715 0.50 . 1 . . . A 153 THR N . 30101 1 885 . 1 1 157 157 SER H H 1 8.994 0.05 . 1 . . . A 154 SER H . 30101 1 886 . 1 1 157 157 SER HA H 1 4.533 0.05 . 1 . . . A 154 SER HA . 30101 1 887 . 1 1 157 157 SER HB2 H 1 3.738 0.05 . 2 . . . A 154 SER HB2 . 30101 1 888 . 1 1 157 157 SER C C 13 174.543 0.50 . 1 . . . A 154 SER C . 30101 1 889 . 1 1 157 157 SER CA C 13 55.704 0.50 . 1 . . . A 154 SER CA . 30101 1 890 . 1 1 157 157 SER CB C 13 62.484 0.50 . 1 . . . A 154 SER CB . 30101 1 891 . 1 1 157 157 SER N N 15 113.863 0.50 . 1 . . . A 154 SER N . 30101 1 892 . 1 1 158 158 ILE H H 1 8.066 0.05 . 1 . . . A 155 ILE H . 30101 1 893 . 1 1 158 158 ILE HA H 1 4.724 0.05 . 1 . . . A 155 ILE HA . 30101 1 894 . 1 1 158 158 ILE HB H 1 1.934 0.05 . 1 . . . A 155 ILE HB . 30101 1 895 . 1 1 158 158 ILE HD11 H 1 -0.249 0.05 . 1 . . . A 155 ILE HD11 . 30101 1 896 . 1 1 158 158 ILE HD12 H 1 -0.249 0.05 . 1 . . . A 155 ILE HD12 . 30101 1 897 . 1 1 158 158 ILE HD13 H 1 -0.249 0.05 . 1 . . . A 155 ILE HD13 . 30101 1 898 . 1 1 158 158 ILE C C 13 174.354 0.50 . 1 . . . A 155 ILE C . 30101 1 899 . 1 1 158 158 ILE CA C 13 64.903 0.50 . 1 . . . A 155 ILE CA . 30101 1 900 . 1 1 158 158 ILE CB C 13 36.803 0.50 . 1 . . . A 155 ILE CB . 30101 1 901 . 1 1 158 158 ILE CD1 C 13 13.134 0.50 . 1 . . . A 155 ILE CD1 . 30101 1 902 . 1 1 158 158 ILE N N 15 122.164 0.50 . 1 . . . A 155 ILE N . 30101 1 903 . 1 1 159 159 PHE H H 1 8.515 0.05 . 1 . . . A 156 PHE H . 30101 1 904 . 1 1 159 159 PHE HA H 1 4.772 0.05 . 1 . . . A 156 PHE HA . 30101 1 905 . 1 1 159 159 PHE HB2 H 1 2.875 0.05 . 2 . . . A 156 PHE HB2 . 30101 1 906 . 1 1 159 159 PHE CA C 13 53.518 0.50 . 1 . . . A 156 PHE CA . 30101 1 907 . 1 1 159 159 PHE CB C 13 37.989 0.50 . 1 . . . A 156 PHE CB . 30101 1 908 . 1 1 159 159 PHE N N 15 117.616 0.50 . 1 . . . A 156 PHE N . 30101 1 909 . 1 1 160 160 PRO HA H 1 4.357 0.05 . 1 . . . A 157 PRO HA . 30101 1 910 . 1 1 160 160 PRO HB2 H 1 2.066 0.05 . 2 . . . A 157 PRO HB2 . 30101 1 911 . 1 1 160 160 PRO C C 13 177.213 0.50 . 1 . . . A 157 PRO C . 30101 1 912 . 1 1 160 160 PRO CA C 13 62.002 0.50 . 1 . . . A 157 PRO CA . 30101 1 913 . 1 1 160 160 PRO CB C 13 31.050 0.50 . 1 . . . A 157 PRO CB . 30101 1 914 . 1 1 161 161 ALA H H 1 8.649 0.05 . 1 . . . A 158 ALA H . 30101 1 915 . 1 1 161 161 ALA HA H 1 4.186 0.05 . 1 . . . A 158 ALA HA . 30101 1 916 . 1 1 161 161 ALA HB1 H 1 1.447 0.05 . 1 . . . A 158 ALA HB1 . 30101 1 917 . 1 1 161 161 ALA HB2 H 1 1.447 0.05 . 1 . . . A 158 ALA HB2 . 30101 1 918 . 1 1 161 161 ALA HB3 H 1 1.447 0.05 . 1 . . . A 158 ALA HB3 . 30101 1 919 . 1 1 161 161 ALA C C 13 178.330 0.50 . 1 . . . A 158 ALA C . 30101 1 920 . 1 1 161 161 ALA CA C 13 53.962 0.50 . 1 . . . A 158 ALA CA . 30101 1 921 . 1 1 161 161 ALA CB C 13 17.611 0.50 . 1 . . . A 158 ALA CB . 30101 1 922 . 1 1 161 161 ALA N N 15 125.392 0.50 . 1 . . . A 158 ALA N . 30101 1 923 . 1 1 162 162 SER H H 1 8.066 0.05 . 1 . . . A 159 SER H . 30101 1 924 . 1 1 162 162 SER HA H 1 4.331 0.05 . 1 . . . A 159 SER HA . 30101 1 925 . 1 1 162 162 SER HB2 H 1 3.923 0.05 . 2 . . . A 159 SER HB2 . 30101 1 926 . 1 1 162 162 SER C C 13 174.856 0.50 . 1 . . . A 159 SER C . 30101 1 927 . 1 1 162 162 SER CA C 13 58.102 0.50 . 1 . . . A 159 SER CA . 30101 1 928 . 1 1 162 162 SER CB C 13 62.132 0.50 . 1 . . . A 159 SER CB . 30101 1 929 . 1 1 162 162 SER N N 15 108.708 0.50 . 1 . . . A 159 SER N . 30101 1 930 . 1 1 163 163 TRP H H 1 7.752 0.05 . 1 . . . A 160 TRP H . 30101 1 931 . 1 1 163 163 TRP HA H 1 4.529 0.05 . 1 . . . A 160 TRP HA . 30101 1 932 . 1 1 163 163 TRP HB2 H 1 3.149 0.05 . 1 . . . A 160 TRP HB2 . 30101 1 933 . 1 1 163 163 TRP C C 13 176.628 0.50 . 1 . . . A 160 TRP C . 30101 1 934 . 1 1 163 163 TRP CA C 13 57.836 0.50 . 1 . . . A 160 TRP CA . 30101 1 935 . 1 1 163 163 TRP CB C 13 28.697 0.50 . 1 . . . A 160 TRP CB . 30101 1 936 . 1 1 163 163 TRP N N 15 123.308 0.50 . 1 . . . A 160 TRP N . 30101 1 937 . 1 1 164 164 GLU H H 1 8.131 0.05 . 1 . . . A 161 GLU H . 30101 1 938 . 1 1 164 164 GLU HA H 1 4.265 0.05 . 1 . . . A 161 GLU HA . 30101 1 939 . 1 1 164 164 GLU HB2 H 1 1.961 0.05 . 2 . . . A 161 GLU HB2 . 30101 1 940 . 1 1 164 164 GLU HB3 H 1 1.592 0.05 . 2 . . . A 161 GLU HB3 . 30101 1 941 . 1 1 164 164 GLU C C 13 176.189 0.50 . 1 . . . A 161 GLU C . 30101 1 942 . 1 1 164 164 GLU CA C 13 54.473 0.50 . 1 . . . A 161 GLU CA . 30101 1 943 . 1 1 164 164 GLU CB C 13 29.782 0.50 . 1 . . . A 161 GLU CB . 30101 1 944 . 1 1 164 164 GLU N N 15 123.496 0.50 . 1 . . . A 161 GLU N . 30101 1 945 . 1 1 165 165 LEU H H 1 8.384 0.05 . 1 . . . A 162 LEU H . 30101 1 946 . 1 1 165 165 LEU HA H 1 4.199 0.05 . 1 . . . A 162 LEU HA . 30101 1 947 . 1 1 165 165 LEU HB2 H 1 1.829 0.05 . 2 . . . A 162 LEU HB2 . 30101 1 948 . 1 1 165 165 LEU HG H 1 1.380 0.05 . 1 . . . A 162 LEU HG . 30101 1 949 . 1 1 165 165 LEU HD11 H 1 0.772 0.05 . 1 . . . A 162 LEU HD11 . 30101 1 950 . 1 1 165 165 LEU HD12 H 1 0.772 0.05 . 1 . . . A 162 LEU HD12 . 30101 1 951 . 1 1 165 165 LEU HD13 H 1 0.772 0.05 . 1 . . . A 162 LEU HD13 . 30101 1 952 . 1 1 165 165 LEU HD21 H 1 0.903 0.05 . 1 . . . A 162 LEU HD21 . 30101 1 953 . 1 1 165 165 LEU HD22 H 1 0.903 0.05 . 1 . . . A 162 LEU HD22 . 30101 1 954 . 1 1 165 165 LEU HD23 H 1 0.903 0.05 . 1 . . . A 162 LEU HD23 . 30101 1 955 . 1 1 165 165 LEU C C 13 176.566 0.50 . 1 . . . A 162 LEU C . 30101 1 956 . 1 1 165 165 LEU CA C 13 55.945 0.50 . 1 . . . A 162 LEU CA . 30101 1 957 . 1 1 165 165 LEU CB C 13 39.957 0.50 . 1 . . . A 162 LEU CB . 30101 1 958 . 1 1 165 165 LEU CG C 13 26.822 0.50 . 1 . . . A 162 LEU CG . 30101 1 959 . 1 1 165 165 LEU CD1 C 13 23.517 0.50 . 1 . . . A 162 LEU CD1 . 30101 1 960 . 1 1 165 165 LEU CD2 C 13 25.422 0.50 . 1 . . . A 162 LEU CD2 . 30101 1 961 . 1 1 165 165 LEU N N 15 122.560 0.50 . 1 . . . A 162 LEU N . 30101 1 962 . 1 1 166 166 SER H H 1 7.595 0.05 . 1 . . . A 163 SER H . 30101 1 963 . 1 1 166 166 SER HA H 1 4.199 0.05 . 1 . . . A 163 SER HA . 30101 1 964 . 1 1 166 166 SER HB2 H 1 4.002 0.05 . 2 . . . A 163 SER HB2 . 30101 1 965 . 1 1 166 166 SER C C 13 174.671 0.50 . 1 . . . A 163 SER C . 30101 1 966 . 1 1 166 166 SER CA C 13 55.635 0.50 . 1 . . . A 163 SER CA . 30101 1 967 . 1 1 166 166 SER CB C 13 64.664 0.50 . 1 . . . A 163 SER CB . 30101 1 968 . 1 1 166 166 SER N N 15 116.821 0.50 . 1 . . . A 163 SER N . 30101 1 969 . 1 1 167 167 GLU H H 1 8.695 0.05 . 1 . . . A 164 GLU H . 30101 1 970 . 1 1 167 167 GLU HA H 1 3.989 0.05 . 1 . . . A 164 GLU HA . 30101 1 971 . 1 1 167 167 GLU HB2 H 1 2.211 0.05 . 2 . . . A 164 GLU HB2 . 30101 1 972 . 1 1 167 167 GLU HB3 H 1 1.724 0.05 . 2 . . . A 164 GLU HB3 . 30101 1 973 . 1 1 167 167 GLU C C 13 177.645 0.50 . 1 . . . A 164 GLU C . 30101 1 974 . 1 1 167 167 GLU CA C 13 58.858 0.50 . 1 . . . A 164 GLU CA . 30101 1 975 . 1 1 167 167 GLU CB C 13 28.741 0.50 . 1 . . . A 164 GLU CB . 30101 1 976 . 1 1 167 167 GLU N N 15 126.553 0.50 . 1 . . . A 164 GLU N . 30101 1 977 . 1 1 168 168 ARG H H 1 8.539 0.05 . 1 . . . A 165 ARG H . 30101 1 978 . 1 1 168 168 ARG HA H 1 3.922 0.05 . 1 . . . A 165 ARG HA . 30101 1 979 . 1 1 168 168 ARG HB2 H 1 1.945 0.05 . 2 . . . A 165 ARG HB2 . 30101 1 980 . 1 1 168 168 ARG CA C 13 59.092 0.50 . 1 . . . A 165 ARG CA . 30101 1 981 . 1 1 168 168 ARG CB C 13 28.834 0.50 . 1 . . . A 165 ARG CB . 30101 1 982 . 1 1 168 168 ARG N N 15 116.998 0.50 . 1 . . . A 165 ARG N . 30101 1 983 . 1 1 169 169 TYR HA H 1 4.463 0.05 . 1 . . . A 166 TYR HA . 30101 1 984 . 1 1 169 169 TYR HB2 H 1 2.685 0.05 . 2 . . . A 166 TYR HB2 . 30101 1 985 . 1 1 169 169 TYR HB3 H 1 2.580 0.05 . 2 . . . A 166 TYR HB3 . 30101 1 986 . 1 1 169 169 TYR C C 13 177.135 0.50 . 1 . . . A 166 TYR C . 30101 1 987 . 1 1 169 169 TYR CA C 13 62.045 0.50 . 1 . . . A 166 TYR CA . 30101 1 988 . 1 1 169 169 TYR CB C 13 41.022 0.50 . 1 . . . A 166 TYR CB . 30101 1 989 . 1 1 170 170 LEU H H 1 8.084 0.05 . 1 . . . A 167 LEU H . 30101 1 990 . 1 1 170 170 LEU HA H 1 3.928 0.05 . 1 . . . A 167 LEU HA . 30101 1 991 . 1 1 170 170 LEU HB2 H 1 1.742 0.05 . 2 . . . A 167 LEU HB2 . 30101 1 992 . 1 1 170 170 LEU HD11 H 1 1.260 0.05 . 1 . . . A 167 LEU HD11 . 30101 1 993 . 1 1 170 170 LEU HD12 H 1 1.260 0.05 . 1 . . . A 167 LEU HD12 . 30101 1 994 . 1 1 170 170 LEU HD13 H 1 1.260 0.05 . 1 . . . A 167 LEU HD13 . 30101 1 995 . 1 1 170 170 LEU C C 13 178.591 0.50 . 1 . . . A 167 LEU C . 30101 1 996 . 1 1 170 170 LEU CA C 13 58.379 0.50 . 1 . . . A 167 LEU CA . 30101 1 997 . 1 1 170 170 LEU CB C 13 40.676 0.50 . 1 . . . A 167 LEU CB . 30101 1 998 . 1 1 170 170 LEU CD1 C 13 24.455 0.50 . 1 . . . A 167 LEU CD1 . 30101 1 999 . 1 1 170 170 LEU N N 15 125.232 0.50 . 1 . . . A 167 LEU N . 30101 1 1000 . 1 1 171 171 LEU H H 1 7.798 0.05 . 1 . . . A 168 LEU H . 30101 1 1001 . 1 1 171 171 LEU HA H 1 4.041 0.05 . 1 . . . A 168 LEU HA . 30101 1 1002 . 1 1 171 171 LEU HB2 H 1 1.935 0.05 . 2 . . . A 168 LEU HB2 . 30101 1 1003 . 1 1 171 171 LEU HG H 1 1.356 0.05 . 1 . . . A 168 LEU HG . 30101 1 1004 . 1 1 171 171 LEU HD21 H 1 0.726 0.05 . 1 . . . A 168 LEU HD21 . 30101 1 1005 . 1 1 171 171 LEU HD22 H 1 0.726 0.05 . 1 . . . A 168 LEU HD22 . 30101 1 1006 . 1 1 171 171 LEU HD23 H 1 0.726 0.05 . 1 . . . A 168 LEU HD23 . 30101 1 1007 . 1 1 171 171 LEU C C 13 179.542 0.50 . 1 . . . A 168 LEU C . 30101 1 1008 . 1 1 171 171 LEU CA C 13 57.154 0.50 . 1 . . . A 168 LEU CA . 30101 1 1009 . 1 1 171 171 LEU CB C 13 40.363 0.50 . 1 . . . A 168 LEU CB . 30101 1 1010 . 1 1 171 171 LEU CG C 13 26.939 0.50 . 1 . . . A 168 LEU CG . 30101 1 1011 . 1 1 171 171 LEU CD2 C 13 23.686 0.50 . 1 . . . A 168 LEU CD2 . 30101 1 1012 . 1 1 171 171 LEU N N 15 117.416 0.50 . 1 . . . A 168 LEU N . 30101 1 1013 . 1 1 172 172 VAL H H 1 7.070 0.05 . 1 . . . A 169 VAL H . 30101 1 1014 . 1 1 172 172 VAL HA H 1 3.520 0.05 . 1 . . . A 169 VAL HA . 30101 1 1015 . 1 1 172 172 VAL HB H 1 1.908 0.05 . 1 . . . A 169 VAL HB . 30101 1 1016 . 1 1 172 172 VAL C C 13 178.147 0.50 . 1 . . . A 169 VAL C . 30101 1 1017 . 1 1 172 172 VAL CA C 13 66.354 0.50 . 1 . . . A 169 VAL CA . 30101 1 1018 . 1 1 172 172 VAL CB C 13 30.439 0.50 . 1 . . . A 169 VAL CB . 30101 1 1019 . 1 1 172 172 VAL N N 15 117.624 0.50 . 1 . . . A 169 VAL N . 30101 1 1020 . 1 1 173 173 VAL H H 1 8.404 0.05 . 1 . . . A 170 VAL H . 30101 1 1021 . 1 1 173 173 VAL HA H 1 4.226 0.05 . 1 . . . A 170 VAL HA . 30101 1 1022 . 1 1 173 173 VAL HB H 1 2.369 0.05 . 1 . . . A 170 VAL HB . 30101 1 1023 . 1 1 173 173 VAL HG11 H 1 1.166 0.05 . 1 . . . A 170 VAL HG11 . 30101 1 1024 . 1 1 173 173 VAL HG12 H 1 1.166 0.05 . 1 . . . A 170 VAL HG12 . 30101 1 1025 . 1 1 173 173 VAL HG13 H 1 1.166 0.05 . 1 . . . A 170 VAL HG13 . 30101 1 1026 . 1 1 173 173 VAL HG21 H 1 1.332 0.05 . 1 . . . A 170 VAL HG21 . 30101 1 1027 . 1 1 173 173 VAL HG22 H 1 1.332 0.05 . 1 . . . A 170 VAL HG22 . 30101 1 1028 . 1 1 173 173 VAL HG23 H 1 1.332 0.05 . 1 . . . A 170 VAL HG23 . 30101 1 1029 . 1 1 173 173 VAL C C 13 177.455 0.50 . 1 . . . A 170 VAL C . 30101 1 1030 . 1 1 173 173 VAL CA C 13 66.862 0.50 . 1 . . . A 170 VAL CA . 30101 1 1031 . 1 1 173 173 VAL CB C 13 30.080 0.50 . 1 . . . A 170 VAL CB . 30101 1 1032 . 1 1 173 173 VAL CG1 C 13 23.221 0.50 . 1 . . . A 170 VAL CG1 . 30101 1 1033 . 1 1 173 173 VAL CG2 C 13 25.273 0.50 . 1 . . . A 170 VAL CG2 . 30101 1 1034 . 1 1 173 173 VAL N N 15 118.881 0.50 . 1 . . . A 170 VAL N . 30101 1 1035 . 1 1 174 174 ASP H H 1 8.361 0.05 . 1 . . . A 171 ASP H . 30101 1 1036 . 1 1 174 174 ASP HA H 1 4.252 0.05 . 1 . . . A 171 ASP HA . 30101 1 1037 . 1 1 174 174 ASP HB2 H 1 1.948 0.05 . 1 . . . A 171 ASP HB2 . 30101 1 1038 . 1 1 174 174 ASP C C 13 178.274 0.50 . 1 . . . A 171 ASP C . 30101 1 1039 . 1 1 174 174 ASP CA C 13 57.977 0.50 . 1 . . . A 171 ASP CA . 30101 1 1040 . 1 1 174 174 ASP CB C 13 41.895 0.50 . 1 . . . A 171 ASP CB . 30101 1 1041 . 1 1 174 174 ASP N N 15 120.373 0.50 . 1 . . . A 171 ASP N . 30101 1 1042 . 1 1 175 175 ARG H H 1 7.665 0.05 . 1 . . . A 172 ARG H . 30101 1 1043 . 1 1 175 175 ARG HA H 1 4.041 0.05 . 1 . . . A 172 ARG HA . 30101 1 1044 . 1 1 175 175 ARG HB2 H 1 2.200 0.05 . 2 . . . A 172 ARG HB2 . 30101 1 1045 . 1 1 175 175 ARG C C 13 179.413 0.50 . 1 . . . A 172 ARG C . 30101 1 1046 . 1 1 175 175 ARG CA C 13 58.605 0.50 . 1 . . . A 172 ARG CA . 30101 1 1047 . 1 1 175 175 ARG CB C 13 28.802 0.50 . 1 . . . A 172 ARG CB . 30101 1 1048 . 1 1 175 175 ARG N N 15 117.862 0.50 . 1 . . . A 172 ARG N . 30101 1 1049 . 1 1 176 176 LEU H H 1 8.190 0.05 . 1 . . . A 173 LEU H . 30101 1 1050 . 1 1 176 176 LEU HA H 1 3.936 0.05 . 1 . . . A 173 LEU HA . 30101 1 1051 . 1 1 176 176 LEU HB2 H 1 1.421 0.05 . 2 . . . A 173 LEU HB2 . 30101 1 1052 . 1 1 176 176 LEU HD11 H 1 0.428 0.05 . 1 . . . A 173 LEU HD11 . 30101 1 1053 . 1 1 176 176 LEU HD12 H 1 0.428 0.05 . 1 . . . A 173 LEU HD12 . 30101 1 1054 . 1 1 176 176 LEU HD13 H 1 0.428 0.05 . 1 . . . A 173 LEU HD13 . 30101 1 1055 . 1 1 176 176 LEU HD21 H 1 0.398 0.05 . 1 . . . A 173 LEU HD21 . 30101 1 1056 . 1 1 176 176 LEU HD22 H 1 0.398 0.05 . 1 . . . A 173 LEU HD22 . 30101 1 1057 . 1 1 176 176 LEU HD23 H 1 0.398 0.05 . 1 . . . A 173 LEU HD23 . 30101 1 1058 . 1 1 176 176 LEU C C 13 172.097 0.50 . 1 . . . A 173 LEU C . 30101 1 1059 . 1 1 176 176 LEU CA C 13 57.139 0.50 . 1 . . . A 173 LEU CA . 30101 1 1060 . 1 1 176 176 LEU CB C 13 39.954 0.50 . 1 . . . A 173 LEU CB . 30101 1 1061 . 1 1 176 176 LEU CD1 C 13 25.967 0.50 . 1 . . . A 173 LEU CD1 . 30101 1 1062 . 1 1 176 176 LEU CD2 C 13 25.564 0.50 . 1 . . . A 173 LEU CD2 . 30101 1 1063 . 1 1 176 176 LEU N N 15 117.744 0.50 . 1 . . . A 173 LEU N . 30101 1 1064 . 1 1 177 177 ILE H H 1 8.984 0.05 . 1 . . . A 174 ILE H . 30101 1 1065 . 1 1 177 177 ILE HA H 1 3.896 0.05 . 1 . . . A 174 ILE HA . 30101 1 1066 . 1 1 177 177 ILE HB H 1 2.125 0.05 . 1 . . . A 174 ILE HB . 30101 1 1067 . 1 1 177 177 ILE HG12 H 1 0.892 0.05 . 1 . . . A 174 ILE HG12 . 30101 1 1068 . 1 1 177 177 ILE HG21 H 1 0.800 0.05 . 1 . . . A 174 ILE HG21 . 30101 1 1069 . 1 1 177 177 ILE HG22 H 1 0.800 0.05 . 1 . . . A 174 ILE HG22 . 30101 1 1070 . 1 1 177 177 ILE HG23 H 1 0.800 0.05 . 1 . . . A 174 ILE HG23 . 30101 1 1071 . 1 1 177 177 ILE HD11 H 1 0.739 0.05 . 1 . . . A 174 ILE HD11 . 30101 1 1072 . 1 1 177 177 ILE HD12 H 1 0.739 0.05 . 1 . . . A 174 ILE HD12 . 30101 1 1073 . 1 1 177 177 ILE HD13 H 1 0.739 0.05 . 1 . . . A 174 ILE HD13 . 30101 1 1074 . 1 1 177 177 ILE C C 13 172.392 0.50 . 1 . . . A 174 ILE C . 30101 1 1075 . 1 1 177 177 ILE CA C 13 64.657 0.50 . 1 . . . A 174 ILE CA . 30101 1 1076 . 1 1 177 177 ILE CB C 13 36.564 0.50 . 1 . . . A 174 ILE CB . 30101 1 1077 . 1 1 177 177 ILE CG1 C 13 24.499 0.50 . 1 . . . A 174 ILE CG1 . 30101 1 1078 . 1 1 177 177 ILE CG2 C 13 21.104 0.50 . 1 . . . A 174 ILE CG2 . 30101 1 1079 . 1 1 177 177 ILE CD1 C 13 14.095 0.50 . 1 . . . A 174 ILE CD1 . 30101 1 1080 . 1 1 177 177 ILE N N 15 122.705 0.50 . 1 . . . A 174 ILE N . 30101 1 1081 . 1 1 178 178 ALA H H 1 7.937 0.05 . 1 . . . A 175 ALA H . 30101 1 1082 . 1 1 178 178 ALA HA H 1 4.212 0.05 . 1 . . . A 175 ALA HA . 30101 1 1083 . 1 1 178 178 ALA HB1 H 1 1.552 0.05 . 1 . . . A 175 ALA HB1 . 30101 1 1084 . 1 1 178 178 ALA HB2 H 1 1.552 0.05 . 1 . . . A 175 ALA HB2 . 30101 1 1085 . 1 1 178 178 ALA HB3 H 1 1.552 0.05 . 1 . . . A 175 ALA HB3 . 30101 1 1086 . 1 1 178 178 ALA C C 13 179.034 0.50 . 1 . . . A 175 ALA C . 30101 1 1087 . 1 1 178 178 ALA CA C 13 54.490 0.50 . 1 . . . A 175 ALA CA . 30101 1 1088 . 1 1 178 178 ALA CB C 13 16.933 0.50 . 1 . . . A 175 ALA CB . 30101 1 1089 . 1 1 178 178 ALA N N 15 124.201 0.50 . 1 . . . A 175 ALA N . 30101 1 1090 . 1 1 179 179 LEU H H 1 7.273 0.05 . 1 . . . A 176 LEU H . 30101 1 1091 . 1 1 179 179 LEU HA H 1 4.398 0.05 . 1 . . . A 176 LEU HA . 30101 1 1092 . 1 1 179 179 LEU HB2 H 1 1.737 0.05 . 1 . . . A 176 LEU HB2 . 30101 1 1093 . 1 1 179 179 LEU HD11 H 1 0.497 0.05 . 1 . . . A 176 LEU HD11 . 30101 1 1094 . 1 1 179 179 LEU HD12 H 1 0.497 0.05 . 1 . . . A 176 LEU HD12 . 30101 1 1095 . 1 1 179 179 LEU HD13 H 1 0.497 0.05 . 1 . . . A 176 LEU HD13 . 30101 1 1096 . 1 1 179 179 LEU HD21 H 1 0.588 0.05 . 1 . . . A 176 LEU HD21 . 30101 1 1097 . 1 1 179 179 LEU HD22 H 1 0.588 0.05 . 1 . . . A 176 LEU HD22 . 30101 1 1098 . 1 1 179 179 LEU HD23 H 1 0.588 0.05 . 1 . . . A 176 LEU HD23 . 30101 1 1099 . 1 1 179 179 LEU C C 13 175.992 0.50 . 1 . . . A 176 LEU C . 30101 1 1100 . 1 1 179 179 LEU CA C 13 54.232 0.50 . 1 . . . A 176 LEU CA . 30101 1 1101 . 1 1 179 179 LEU CB C 13 42.127 0.50 . 1 . . . A 176 LEU CB . 30101 1 1102 . 1 1 179 179 LEU CD1 C 13 25.137 0.50 . 1 . . . A 176 LEU CD1 . 30101 1 1103 . 1 1 179 179 LEU CD2 C 13 21.962 0.50 . 1 . . . A 176 LEU CD2 . 30101 1 1104 . 1 1 179 179 LEU N N 15 116.767 0.50 . 1 . . . A 176 LEU N . 30101 1 1105 . 1 1 180 180 ASP H H 1 8.344 0.05 . 1 . . . A 177 ASP H . 30101 1 1106 . 1 1 180 180 ASP HA H 1 4.649 0.05 . 1 . . . A 177 ASP HA . 30101 1 1107 . 1 1 180 180 ASP HB2 H 1 2.707 0.05 . 1 . . . A 177 ASP HB2 . 30101 1 1108 . 1 1 180 180 ASP C C 13 175.744 0.50 . 1 . . . A 177 ASP C . 30101 1 1109 . 1 1 180 180 ASP CA C 13 55.071 0.50 . 1 . . . A 177 ASP CA . 30101 1 1110 . 1 1 180 180 ASP CB C 13 38.974 0.50 . 1 . . . A 177 ASP CB . 30101 1 1111 . 1 1 180 180 ASP N N 15 118.607 0.50 . 1 . . . A 177 ASP N . 30101 1 1112 . 1 1 181 181 ALA H H 1 8.441 0.05 . 1 . . . A 178 ALA H . 30101 1 1113 . 1 1 181 181 ALA HA H 1 4.649 0.05 . 1 . . . A 178 ALA HA . 30101 1 1114 . 1 1 181 181 ALA HB1 H 1 1.513 0.05 . 1 . . . A 178 ALA HB1 . 30101 1 1115 . 1 1 181 181 ALA HB2 H 1 1.513 0.05 . 1 . . . A 178 ALA HB2 . 30101 1 1116 . 1 1 181 181 ALA HB3 H 1 1.513 0.05 . 1 . . . A 178 ALA HB3 . 30101 1 1117 . 1 1 181 181 ALA C C 13 177.574 0.50 . 1 . . . A 178 ALA C . 30101 1 1118 . 1 1 181 181 ALA CA C 13 51.100 0.50 . 1 . . . A 178 ALA CA . 30101 1 1119 . 1 1 181 181 ALA CB C 13 21.029 0.50 . 1 . . . A 178 ALA CB . 30101 1 1120 . 1 1 181 181 ALA N N 15 116.922 0.50 . 1 . . . A 178 ALA N . 30101 1 1121 . 1 1 182 182 ALA H H 1 7.810 0.05 . 1 . . . A 179 ALA H . 30101 1 1122 . 1 1 182 182 ALA HA H 1 3.970 0.05 . 1 . . . A 179 ALA HA . 30101 1 1123 . 1 1 182 182 ALA HB1 H 1 1.421 0.05 . 1 . . . A 179 ALA HB1 . 30101 1 1124 . 1 1 182 182 ALA HB2 H 1 1.421 0.05 . 1 . . . A 179 ALA HB2 . 30101 1 1125 . 1 1 182 182 ALA HB3 H 1 1.421 0.05 . 1 . . . A 179 ALA HB3 . 30101 1 1126 . 1 1 182 182 ALA C C 13 178.844 0.50 . 1 . . . A 179 ALA C . 30101 1 1127 . 1 1 182 182 ALA CA C 13 55.213 0.50 . 1 . . . A 179 ALA CA . 30101 1 1128 . 1 1 182 182 ALA CB C 13 17.659 0.50 . 1 . . . A 179 ALA CB . 30101 1 1129 . 1 1 182 182 ALA N N 15 122.544 0.50 . 1 . . . A 179 ALA N . 30101 1 1130 . 1 1 183 183 GLU H H 1 8.428 0.05 . 1 . . . A 180 GLU H . 30101 1 1131 . 1 1 183 183 GLU HA H 1 4.169 0.05 . 1 . . . A 180 GLU HA . 30101 1 1132 . 1 1 183 183 GLU HB2 H 1 2.316 0.05 . 1 . . . A 180 GLU HB2 . 30101 1 1133 . 1 1 183 183 GLU C C 13 179.865 0.50 . 1 . . . A 180 GLU C . 30101 1 1134 . 1 1 183 183 GLU CA C 13 59.089 0.50 . 1 . . . A 180 GLU CA . 30101 1 1135 . 1 1 183 183 GLU CB C 13 27.343 0.50 . 1 . . . A 180 GLU CB . 30101 1 1136 . 1 1 183 183 GLU N N 15 118.105 0.50 . 1 . . . A 180 GLU N . 30101 1 1137 . 1 1 184 184 ASP H H 1 8.221 0.05 . 1 . . . A 181 ASP H . 30101 1 1138 . 1 1 184 184 ASP HA H 1 4.436 0.05 . 1 . . . A 181 ASP HA . 30101 1 1139 . 1 1 184 184 ASP HB2 H 1 2.685 0.05 . 1 . . . A 181 ASP HB2 . 30101 1 1140 . 1 1 184 184 ASP C C 13 178.082 0.50 . 1 . . . A 181 ASP C . 30101 1 1141 . 1 1 184 184 ASP CA C 13 56.922 0.50 . 1 . . . A 181 ASP CA . 30101 1 1142 . 1 1 184 184 ASP CB C 13 39.744 0.50 . 1 . . . A 181 ASP CB . 30101 1 1143 . 1 1 184 184 ASP N N 15 121.037 0.50 . 1 . . . A 181 ASP N . 30101 1 1144 . 1 1 185 185 PHE H H 1 8.430 0.05 . 1 . . . A 182 PHE H . 30101 1 1145 . 1 1 185 185 PHE HA H 1 3.699 0.05 . 1 . . . A 182 PHE HA . 30101 1 1146 . 1 1 185 185 PHE HB2 H 1 2.922 0.05 . 1 . . . A 182 PHE HB2 . 30101 1 1147 . 1 1 185 185 PHE C C 13 176.386 0.50 . 1 . . . A 182 PHE C . 30101 1 1148 . 1 1 185 185 PHE CA C 13 61.271 0.50 . 1 . . . A 182 PHE CA . 30101 1 1149 . 1 1 185 185 PHE CB C 13 38.451 0.50 . 1 . . . A 182 PHE CB . 30101 1 1150 . 1 1 185 185 PHE N N 15 120.126 0.50 . 1 . . . A 182 PHE N . 30101 1 1151 . 1 1 186 186 PHE H H 1 8.457 0.05 . 1 . . . A 183 PHE H . 30101 1 1152 . 1 1 186 186 PHE HA H 1 3.772 0.05 . 1 . . . A 183 PHE HA . 30101 1 1153 . 1 1 186 186 PHE HB2 H 1 2.619 0.05 . 1 . . . A 183 PHE HB2 . 30101 1 1154 . 1 1 186 186 PHE C C 13 176.819 0.50 . 1 . . . A 183 PHE C . 30101 1 1155 . 1 1 186 186 PHE CA C 13 61.765 0.50 . 1 . . . A 183 PHE CA . 30101 1 1156 . 1 1 186 186 PHE CB C 13 38.014 0.50 . 1 . . . A 183 PHE CB . 30101 1 1157 . 1 1 186 186 PHE N N 15 118.787 0.50 . 1 . . . A 183 PHE N . 30101 1 1158 . 1 1 187 187 LYS H H 1 8.204 0.05 . 1 . . . A 184 LYS H . 30101 1 1159 . 1 1 187 187 LYS HA H 1 3.667 0.05 . 1 . . . A 184 LYS HA . 30101 1 1160 . 1 1 187 187 LYS HB2 H 1 1.961 0.05 . 2 . . . A 184 LYS HB2 . 30101 1 1161 . 1 1 187 187 LYS C C 13 179.411 0.50 . 1 . . . A 184 LYS C . 30101 1 1162 . 1 1 187 187 LYS CA C 13 59.335 0.50 . 1 . . . A 184 LYS CA . 30101 1 1163 . 1 1 187 187 LYS CB C 13 31.235 0.50 . 1 . . . A 184 LYS CB . 30101 1 1164 . 1 1 187 187 LYS N N 15 119.714 0.50 . 1 . . . A 184 LYS N . 30101 1 1165 . 1 1 188 188 ILE H H 1 7.655 0.05 . 1 . . . A 185 ILE H . 30101 1 1166 . 1 1 188 188 ILE HA H 1 3.607 0.05 . 1 . . . A 185 ILE HA . 30101 1 1167 . 1 1 188 188 ILE HB H 1 1.566 0.05 . 1 . . . A 185 ILE HB . 30101 1 1168 . 1 1 188 188 ILE HG21 H 1 0.880 0.05 . 1 . . . A 185 ILE HG21 . 30101 1 1169 . 1 1 188 188 ILE HG22 H 1 0.880 0.05 . 1 . . . A 185 ILE HG22 . 30101 1 1170 . 1 1 188 188 ILE HG23 H 1 0.880 0.05 . 1 . . . A 185 ILE HG23 . 30101 1 1171 . 1 1 188 188 ILE HD11 H 1 0.745 0.05 . 1 . . . A 185 ILE HD11 . 30101 1 1172 . 1 1 188 188 ILE HD12 H 1 0.745 0.05 . 1 . . . A 185 ILE HD12 . 30101 1 1173 . 1 1 188 188 ILE HD13 H 1 0.745 0.05 . 1 . . . A 185 ILE HD13 . 30101 1 1174 . 1 1 188 188 ILE C C 13 178.332 0.50 . 1 . . . A 185 ILE C . 30101 1 1175 . 1 1 188 188 ILE CA C 13 63.461 0.50 . 1 . . . A 185 ILE CA . 30101 1 1176 . 1 1 188 188 ILE CB C 13 35.594 0.50 . 1 . . . A 185 ILE CB . 30101 1 1177 . 1 1 188 188 ILE CG2 C 13 20.881 0.50 . 1 . . . A 185 ILE CG2 . 30101 1 1178 . 1 1 188 188 ILE CD1 C 13 12.326 0.50 . 1 . . . A 185 ILE CD1 . 30101 1 1179 . 1 1 188 188 ILE N N 15 118.389 0.50 . 1 . . . A 185 ILE N . 30101 1 1180 . 1 1 189 189 ALA H H 1 8.699 0.05 . 1 . . . A 186 ALA H . 30101 1 1181 . 1 1 189 189 ALA HA H 1 3.534 0.05 . 1 . . . A 186 ALA HA . 30101 1 1182 . 1 1 189 189 ALA HB1 H 1 1.552 0.05 . 1 . . . A 186 ALA HB1 . 30101 1 1183 . 1 1 189 189 ALA HB2 H 1 1.552 0.05 . 1 . . . A 186 ALA HB2 . 30101 1 1184 . 1 1 189 189 ALA HB3 H 1 1.552 0.05 . 1 . . . A 186 ALA HB3 . 30101 1 1185 . 1 1 189 189 ALA C C 13 178.464 0.50 . 1 . . . A 186 ALA C . 30101 1 1186 . 1 1 189 189 ALA CA C 13 55.191 0.50 . 1 . . . A 186 ALA CA . 30101 1 1187 . 1 1 189 189 ALA CB C 13 16.933 0.50 . 1 . . . A 186 ALA CB . 30101 1 1188 . 1 1 189 189 ALA N N 15 122.881 0.50 . 1 . . . A 186 ALA N . 30101 1 1189 . 1 1 190 190 SER H H 1 8.021 0.05 . 1 . . . A 187 SER H . 30101 1 1190 . 1 1 190 190 SER HA H 1 4.727 0.05 . 1 . . . A 187 SER HA . 30101 1 1191 . 1 1 190 190 SER HB2 H 1 3.626 0.05 . 2 . . . A 187 SER HB2 . 30101 1 1192 . 1 1 190 190 SER HB3 H 1 3.291 0.05 . 2 . . . A 187 SER HB3 . 30101 1 1193 . 1 1 190 190 SER C C 13 174.668 0.50 . 1 . . . A 187 SER C . 30101 1 1194 . 1 1 190 190 SER CA C 13 60.323 0.50 . 1 . . . A 187 SER CA . 30101 1 1195 . 1 1 190 190 SER CB C 13 62.309 0.50 . 1 . . . A 187 SER CB . 30101 1 1196 . 1 1 190 190 SER N N 15 109.169 0.50 . 1 . . . A 187 SER N . 30101 1 1197 . 1 1 191 191 GLN H H 1 7.015 0.05 . 1 . . . A 188 GLN H . 30101 1 1198 . 1 1 191 191 GLN HA H 1 4.039 0.05 . 1 . . . A 188 GLN HA . 30101 1 1199 . 1 1 191 191 GLN HB2 H 1 2.211 0.05 . 2 . . . A 188 GLN HB2 . 30101 1 1200 . 1 1 191 191 GLN HB3 H 1 2.001 0.05 . 2 . . . A 188 GLN HB3 . 30101 1 1201 . 1 1 191 191 GLN C C 13 177.387 0.50 . 1 . . . A 188 GLN C . 30101 1 1202 . 1 1 191 191 GLN CA C 13 56.670 0.50 . 1 . . . A 188 GLN CA . 30101 1 1203 . 1 1 191 191 GLN CB C 13 28.310 0.50 . 1 . . . A 188 GLN CB . 30101 1 1204 . 1 1 191 191 GLN N N 15 118.723 0.50 . 1 . . . A 188 GLN N . 30101 1 1205 . 1 1 192 192 MET H H 1 8.288 0.05 . 1 . . . A 189 MET H . 30101 1 1206 . 1 1 192 192 MET HA H 1 3.738 0.05 . 1 . . . A 189 MET HA . 30101 1 1207 . 1 1 192 192 MET HB2 H 1 2.198 0.05 . 2 . . . A 189 MET HB2 . 30101 1 1208 . 1 1 192 192 MET HB3 H 1 1.934 0.05 . 2 . . . A 189 MET HB3 . 30101 1 1209 . 1 1 192 192 MET C C 13 175.811 0.50 . 1 . . . A 189 MET C . 30101 1 1210 . 1 1 192 192 MET CA C 13 56.926 0.50 . 1 . . . A 189 MET CA . 30101 1 1211 . 1 1 192 192 MET CB C 13 32.949 0.50 . 1 . . . A 189 MET CB . 30101 1 1212 . 1 1 192 192 MET N N 15 117.313 0.50 . 1 . . . A 189 MET N . 30101 1 1213 . 1 1 193 193 TYR H H 1 7.937 0.05 . 1 . . . A 190 TYR H . 30101 1 1214 . 1 1 193 193 TYR HA H 1 4.423 0.05 . 1 . . . A 190 TYR HA . 30101 1 1215 . 1 1 193 193 TYR HB2 H 1 2.634 0.05 . 2 . . . A 190 TYR HB2 . 30101 1 1216 . 1 1 193 193 TYR CA C 13 53.454 0.50 . 1 . . . A 190 TYR CA . 30101 1 1217 . 1 1 193 193 TYR CB C 13 36.387 0.50 . 1 . . . A 190 TYR CB . 30101 1 1218 . 1 1 193 193 TYR N N 15 115.889 0.50 . 1 . . . A 190 TYR N . 30101 1 1219 . 1 1 194 194 PRO HA H 1 4.566 0.05 . 1 . . . A 191 PRO HA . 30101 1 1220 . 1 1 194 194 PRO HB2 H 1 2.250 0.05 . 2 . . . A 191 PRO HB2 . 30101 1 1221 . 1 1 194 194 PRO HB3 H 1 1.803 0.05 . 2 . . . A 191 PRO HB3 . 30101 1 1222 . 1 1 194 194 PRO C C 13 178.083 0.50 . 1 . . . A 191 PRO C . 30101 1 1223 . 1 1 194 194 PRO CA C 13 62.483 0.50 . 1 . . . A 191 PRO CA . 30101 1 1224 . 1 1 194 194 PRO CB C 13 31.234 0.50 . 1 . . . A 191 PRO CB . 30101 1 1225 . 1 1 195 195 LYS H H 1 8.486 0.05 . 1 . . . A 192 LYS H . 30101 1 1226 . 1 1 195 195 LYS HA H 1 4.489 0.05 . 1 . . . A 192 LYS HA . 30101 1 1227 . 1 1 195 195 LYS HB2 H 1 1.592 0.05 . 2 . . . A 192 LYS HB2 . 30101 1 1228 . 1 1 195 195 LYS HB3 H 1 1.473 0.05 . 2 . . . A 192 LYS HB3 . 30101 1 1229 . 1 1 195 195 LYS C C 13 175.680 0.50 . 1 . . . A 192 LYS C . 30101 1 1230 . 1 1 195 195 LYS CA C 13 56.188 0.50 . 1 . . . A 192 LYS CA . 30101 1 1231 . 1 1 195 195 LYS CB C 13 31.947 0.50 . 1 . . . A 192 LYS CB . 30101 1 1232 . 1 1 195 195 LYS N N 15 122.871 0.50 . 1 . . . A 192 LYS N . 30101 1 1233 . 1 1 196 196 LYS H H 1 8.418 0.05 . 1 . . . A 193 LYS H . 30101 1 1234 . 1 1 196 196 LYS HA H 1 4.508 0.05 . 1 . . . A 193 LYS HA . 30101 1 1235 . 1 1 196 196 LYS CA C 13 53.060 0.50 . 1 . . . A 193 LYS CA . 30101 1 1236 . 1 1 196 196 LYS CB C 13 31.686 0.50 . 1 . . . A 193 LYS CB . 30101 1 1237 . 1 1 196 196 LYS N N 15 124.868 0.50 . 1 . . . A 193 LYS N . 30101 1 1238 . 1 1 197 197 PRO HA H 1 4.394 0.05 . 1 . . . A 194 PRO HA . 30101 1 1239 . 1 1 197 197 PRO HB2 H 1 2.279 0.05 . 2 . . . A 194 PRO HB2 . 30101 1 1240 . 1 1 197 197 PRO HB3 H 1 1.919 0.05 . 2 . . . A 194 PRO HB3 . 30101 1 1241 . 1 1 197 197 PRO C C 13 177.391 0.50 . 1 . . . A 194 PRO C . 30101 1 1242 . 1 1 197 197 PRO CA C 13 62.492 0.50 . 1 . . . A 194 PRO CA . 30101 1 1243 . 1 1 197 197 PRO CB C 13 31.232 0.50 . 1 . . . A 194 PRO CB . 30101 1 1244 . 1 1 198 198 GLY H H 1 8.456 0.05 . 1 . . . A 195 GLY H . 30101 1 1245 . 1 1 198 198 GLY HA2 H 1 3.910 0.05 . 1 . . . A 195 GLY HA2 . 30101 1 1246 . 1 1 198 198 GLY C C 13 173.782 0.50 . 1 . . . A 195 GLY C . 30101 1 1247 . 1 1 198 198 GLY CA C 13 44.556 0.50 . 1 . . . A 195 GLY CA . 30101 1 1248 . 1 1 198 198 GLY N N 15 109.012 0.50 . 1 . . . A 195 GLY N . 30101 1 1249 . 1 1 199 199 VAL H H 1 7.932 0.05 . 1 . . . A 196 VAL H . 30101 1 1250 . 1 1 199 199 VAL HA H 1 4.466 0.05 . 1 . . . A 196 VAL HA . 30101 1 1251 . 1 1 199 199 VAL CA C 13 59.076 0.50 . 1 . . . A 196 VAL CA . 30101 1 1252 . 1 1 199 199 VAL CB C 13 31.697 0.50 . 1 . . . A 196 VAL CB . 30101 1 1253 . 1 1 199 199 VAL N N 15 120.529 0.50 . 1 . . . A 196 VAL N . 30101 1 1254 . 1 1 200 200 PRO HA H 1 4.423 0.05 . 1 . . . A 197 PRO HA . 30101 1 1255 . 1 1 200 200 PRO HB2 H 1 2.264 0.05 . 1 . . . A 197 PRO HB2 . 30101 1 1256 . 1 1 200 200 PRO HB3 H 1 1.855 0.05 . 1 . . . A 197 PRO HB3 . 30101 1 1257 . 1 1 200 200 PRO C C 13 176.502 0.50 . 1 . . . A 197 PRO C . 30101 1 1258 . 1 1 200 200 PRO CA C 13 62.497 0.50 . 1 . . . A 197 PRO CA . 30101 1 1259 . 1 1 200 200 PRO CB C 13 31.228 0.50 . 1 . . . A 197 PRO CB . 30101 1 1260 . 1 1 201 201 CYS H H 1 8.456 0.05 . 1 . . . A 198 CYS H . 30101 1 1261 . 1 1 201 201 CYS HA H 1 4.425 0.05 . 1 . . . A 198 CYS HA . 30101 1 1262 . 1 1 201 201 CYS HB2 H 1 3.923 0.05 . 1 . . . A 198 CYS HB2 . 30101 1 1263 . 1 1 201 201 CYS C C 13 174.417 0.50 . 1 . . . A 198 CYS C . 30101 1 1264 . 1 1 201 201 CYS CA C 13 57.876 0.50 . 1 . . . A 198 CYS CA . 30101 1 1265 . 1 1 201 201 CYS CB C 13 27.811 0.50 . 1 . . . A 198 CYS CB . 30101 1 1266 . 1 1 201 201 CYS N N 15 119.728 0.50 . 1 . . . A 198 CYS N . 30101 1 1267 . 1 1 202 202 LEU H H 1 8.414 0.05 . 1 . . . A 199 LEU H . 30101 1 1268 . 1 1 202 202 LEU HA H 1 4.472 0.05 . 1 . . . A 199 LEU HA . 30101 1 1269 . 1 1 202 202 LEU HB2 H 1 1.615 0.05 . 2 . . . A 199 LEU HB2 . 30101 1 1270 . 1 1 202 202 LEU HB3 H 1 1.542 0.05 . 2 . . . A 199 LEU HB3 . 30101 1 1271 . 1 1 202 202 LEU HD11 H 1 0.784 0.05 . 1 . . . A 199 LEU HD11 . 30101 1 1272 . 1 1 202 202 LEU HD12 H 1 0.784 0.05 . 1 . . . A 199 LEU HD12 . 30101 1 1273 . 1 1 202 202 LEU HD13 H 1 0.784 0.05 . 1 . . . A 199 LEU HD13 . 30101 1 1274 . 1 1 202 202 LEU HD21 H 1 0.811 0.05 . 1 . . . A 199 LEU HD21 . 30101 1 1275 . 1 1 202 202 LEU HD22 H 1 0.811 0.05 . 1 . . . A 199 LEU HD22 . 30101 1 1276 . 1 1 202 202 LEU HD23 H 1 0.811 0.05 . 1 . . . A 199 LEU HD23 . 30101 1 1277 . 1 1 202 202 LEU C C 13 177.200 0.50 . 1 . . . A 199 LEU C . 30101 1 1278 . 1 1 202 202 LEU CA C 13 54.728 0.50 . 1 . . . A 199 LEU CA . 30101 1 1279 . 1 1 202 202 LEU CB C 13 41.086 0.50 . 1 . . . A 199 LEU CB . 30101 1 1280 . 1 1 202 202 LEU CD1 C 13 23.233 0.50 . 1 . . . A 199 LEU CD1 . 30101 1 1281 . 1 1 202 202 LEU CD2 C 13 23.280 0.50 . 1 . . . A 199 LEU CD2 . 30101 1 1282 . 1 1 202 202 LEU N N 15 125.071 0.50 . 1 . . . A 199 LEU N . 30101 1 1283 . 1 1 203 203 VAL H H 1 8.156 0.05 . 1 . . . A 200 VAL H . 30101 1 1284 . 1 1 203 203 VAL HA H 1 4.099 0.05 . 1 . . . A 200 VAL HA . 30101 1 1285 . 1 1 203 203 VAL HB H 1 2.049 0.05 . 1 . . . A 200 VAL HB . 30101 1 1286 . 1 1 203 203 VAL C C 13 175.871 0.50 . 1 . . . A 200 VAL C . 30101 1 1287 . 1 1 203 203 VAL CA C 13 61.749 0.50 . 1 . . . A 200 VAL CA . 30101 1 1288 . 1 1 203 203 VAL CB C 13 31.732 0.50 . 1 . . . A 200 VAL CB . 30101 1 1289 . 1 1 203 203 VAL N N 15 120.378 0.50 . 1 . . . A 200 VAL N . 30101 1 1290 . 1 1 204 204 ASP H H 1 8.411 0.05 . 1 . . . A 201 ASP H . 30101 1 1291 . 1 1 204 204 ASP HA H 1 4.524 0.05 . 1 . . . A 201 ASP HA . 30101 1 1292 . 1 1 204 204 ASP HB2 H 1 2.666 0.05 . 2 . . . A 201 ASP HB2 . 30101 1 1293 . 1 1 204 204 ASP C C 13 176.945 0.50 . 1 . . . A 201 ASP C . 30101 1 1294 . 1 1 204 204 ASP CA C 13 54.243 0.50 . 1 . . . A 201 ASP CA . 30101 1 1295 . 1 1 204 204 ASP CB C 13 40.436 0.50 . 1 . . . A 201 ASP CB . 30101 1 1296 . 1 1 204 204 ASP N N 15 123.742 0.50 . 1 . . . A 201 ASP N . 30101 1 1297 . 1 1 205 205 GLY H H 1 8.385 0.05 . 1 . . . A 202 GLY H . 30101 1 1298 . 1 1 205 205 GLY HA2 H 1 3.904 0.05 . 1 . . . A 202 GLY HA2 . 30101 1 1299 . 1 1 205 205 GLY HA3 H 1 3.765 0.05 . 1 . . . A 202 GLY HA3 . 30101 1 1300 . 1 1 205 205 GLY C C 13 174.535 0.50 . 1 . . . A 202 GLY C . 30101 1 1301 . 1 1 205 205 GLY CA C 13 45.268 0.50 . 1 . . . A 202 GLY CA . 30101 1 1302 . 1 1 205 205 GLY N N 15 108.917 0.50 . 1 . . . A 202 GLY N . 30101 1 1303 . 1 1 206 206 GLN H H 1 8.210 0.05 . 1 . . . A 203 GLN H . 30101 1 1304 . 1 1 206 206 GLN HA H 1 4.292 0.05 . 1 . . . A 203 GLN HA . 30101 1 1305 . 1 1 206 206 GLN HB2 H 1 2.106 0.05 . 2 . . . A 203 GLN HB2 . 30101 1 1306 . 1 1 206 206 GLN HB3 H 1 2.013 0.05 . 2 . . . A 203 GLN HB3 . 30101 1 1307 . 1 1 206 206 GLN C C 13 176.126 0.50 . 1 . . . A 203 GLN C . 30101 1 1308 . 1 1 206 206 GLN CA C 13 55.448 0.50 . 1 . . . A 203 GLN CA . 30101 1 1309 . 1 1 206 206 GLN CB C 13 28.323 0.50 . 1 . . . A 203 GLN CB . 30101 1 1310 . 1 1 206 206 GLN N N 15 119.265 0.50 . 1 . . . A 203 GLN N . 30101 1 1311 . 1 1 207 207 ARG H H 1 8.231 0.05 . 1 . . . A 204 ARG H . 30101 1 1312 . 1 1 207 207 ARG HA H 1 4.256 0.05 . 1 . . . A 204 ARG HA . 30101 1 1313 . 1 1 207 207 ARG HB2 H 1 1.786 0.05 . 1 . . . A 204 ARG HB2 . 30101 1 1314 . 1 1 207 207 ARG HB3 H 1 1.681 0.05 . 1 . . . A 204 ARG HB3 . 30101 1 1315 . 1 1 207 207 ARG C C 13 176.187 0.50 . 1 . . . A 204 ARG C . 30101 1 1316 . 1 1 207 207 ARG CA C 13 55.696 0.50 . 1 . . . A 204 ARG CA . 30101 1 1317 . 1 1 207 207 ARG CB C 13 29.534 0.50 . 1 . . . A 204 ARG CB . 30101 1 1318 . 1 1 207 207 ARG N N 15 121.174 0.50 . 1 . . . A 204 ARG N . 30101 1 1319 . 1 1 208 208 LYS H H 1 8.268 0.05 . 1 . . . A 205 LYS H . 30101 1 1320 . 1 1 208 208 LYS HA H 1 4.263 0.05 . 1 . . . A 205 LYS HA . 30101 1 1321 . 1 1 208 208 LYS HB2 H 1 1.750 0.05 . 1 . . . A 205 LYS HB2 . 30101 1 1322 . 1 1 208 208 LYS HB3 H 1 1.676 0.05 . 1 . . . A 205 LYS HB3 . 30101 1 1323 . 1 1 208 208 LYS C C 13 176.312 0.50 . 1 . . . A 205 LYS C . 30101 1 1324 . 1 1 208 208 LYS CA C 13 55.670 0.50 . 1 . . . A 205 LYS CA . 30101 1 1325 . 1 1 208 208 LYS CB C 13 31.719 0.50 . 1 . . . A 205 LYS CB . 30101 1 1326 . 1 1 208 208 LYS N N 15 121.940 0.50 . 1 . . . A 205 LYS N . 30101 1 1327 . 1 1 209 209 LEU H H 1 8.169 0.05 . 1 . . . A 206 LEU H . 30101 1 1328 . 1 1 209 209 LEU HA H 1 4.268 0.05 . 1 . . . A 206 LEU HA . 30101 1 1329 . 1 1 209 209 LEU HB2 H 1 1.534 0.05 . 2 . . . A 206 LEU HB2 . 30101 1 1330 . 1 1 209 209 LEU HB3 H 1 1.463 0.05 . 2 . . . A 206 LEU HB3 . 30101 1 1331 . 1 1 209 209 LEU HD11 H 1 0.874 0.05 . 1 . . . A 206 LEU HD11 . 30101 1 1332 . 1 1 209 209 LEU HD12 H 1 0.874 0.05 . 1 . . . A 206 LEU HD12 . 30101 1 1333 . 1 1 209 209 LEU HD13 H 1 0.874 0.05 . 1 . . . A 206 LEU HD13 . 30101 1 1334 . 1 1 209 209 LEU C C 13 177.009 0.50 . 1 . . . A 206 LEU C . 30101 1 1335 . 1 1 209 209 LEU CA C 13 54.732 0.50 . 1 . . . A 206 LEU CA . 30101 1 1336 . 1 1 209 209 LEU CB C 13 41.167 0.50 . 1 . . . A 206 LEU CB . 30101 1 1337 . 1 1 209 209 LEU CD1 C 13 25.170 0.50 . 1 . . . A 206 LEU CD1 . 30101 1 1338 . 1 1 209 209 LEU N N 15 122.540 0.50 . 1 . . . A 206 LEU N . 30101 1 1339 . 1 1 213 213 PRO HA H 1 4.397 0.05 . 1 . . . A 210 PRO HA . 30101 1 1340 . 1 1 213 213 PRO HB2 H 1 1.882 0.05 . 2 . . . A 210 PRO HB2 . 30101 1 1341 . 1 1 213 213 PRO C C 13 175.112 0.50 . 1 . . . A 210 PRO C . 30101 1 1342 . 1 1 213 213 PRO CA C 13 62.459 0.50 . 1 . . . A 210 PRO CA . 30101 1 1343 . 1 1 213 213 PRO CB C 13 30.757 0.50 . 1 . . . A 210 PRO CB . 30101 1 1344 . 1 1 214 214 PHE H H 1 8.045 0.05 . 1 . . . A 211 PHE H . 30101 1 1345 . 1 1 214 214 PHE HA H 1 4.423 0.05 . 1 . . . A 211 PHE HA . 30101 1 1346 . 1 1 214 214 PHE HB2 H 1 2.972 0.05 . 2 . . . A 211 PHE HB2 . 30101 1 1347 . 1 1 214 214 PHE CA C 13 54.952 0.50 . 1 . . . A 211 PHE CA . 30101 1 1348 . 1 1 214 214 PHE CB C 13 40.677 0.50 . 1 . . . A 211 PHE CB . 30101 1 1349 . 1 1 214 214 PHE N N 15 120.680 0.50 . 1 . . . A 211 PHE N . 30101 1 1350 . 1 1 215 215 PRO HA H 1 4.410 0.05 . 1 . . . A 212 PRO HA . 30101 1 1351 . 1 1 215 215 PRO HB2 H 1 2.211 0.05 . 2 . . . A 212 PRO HB2 . 30101 1 1352 . 1 1 215 215 PRO HB3 H 1 1.855 0.05 . 2 . . . A 212 PRO HB3 . 30101 1 1353 . 1 1 215 215 PRO C C 13 176.315 0.50 . 1 . . . A 212 PRO C . 30101 1 1354 . 1 1 215 215 PRO CA C 13 62.484 0.50 . 1 . . . A 212 PRO CA . 30101 1 1355 . 1 1 215 215 PRO CB C 13 30.981 0.50 . 1 . . . A 212 PRO CB . 30101 1 1356 . 1 1 216 216 SER H H 1 8.293 0.05 . 1 . . . A 213 SER H . 30101 1 1357 . 1 1 216 216 SER HA H 1 4.487 0.05 . 1 . . . A 213 SER HA . 30101 1 1358 . 1 1 216 216 SER HB2 H 1 3.868 0.05 . 2 . . . A 213 SER HB2 . 30101 1 1359 . 1 1 216 216 SER CA C 13 55.933 0.50 . 1 . . . A 213 SER CA . 30101 1 1360 . 1 1 216 216 SER CB C 13 63.221 0.50 . 1 . . . A 213 SER CB . 30101 1 stop_ save_