data_18522 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18522 _Entry.Title ; Chemical Shift Assignments for the PICK1 PDZ domain fused to the C10 DAT ligand ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-06-14 _Entry.Accession_date 2012-06-14 _Entry.Last_release_date 2012-06-21 _Entry.Original_release_date 2012-06-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Simon Erlendsson . . . . 18522 2 Kaare Teilum . . . . 18522 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18522 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DAT C-terminal' . 18522 PDZ . 18522 PICK1 . 18522 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18522 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 382 18522 '15N chemical shifts' 106 18522 '1H chemical shifts' 638 18522 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-12-06 2012-06-14 update BMRB 'update entry citation' 18522 1 . . 2013-06-17 2012-06-14 original author 'original release' 18522 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LUI 'BMRB Entry Tracking System' 18522 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18522 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25023278 _Citation.Full_citation . _Citation.Title ; Protein interacting with C-kinase 1 (PICK1) binding promiscuity relies on unconventional PSD-95/discs-large/ZO-1 homology (PDZ) binding modes for nonclass II PDZ ligand ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 289 _Citation.Journal_issue 36 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 25327 _Citation.Page_last 25340 _Citation.Year 2014 _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 Simon Erlendsson . . . . 18522 1 2 Mette Rathje . . . . 18522 1 3 Petur Heidarsson . O. . . 18522 1 4 Flemming Poulsen . M. . . 18522 1 5 Kenneth Madsen . L. . . 18522 1 6 Kaare Teilum . . . . 18522 1 7 Ulrik Gether . . . . 18522 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18522 _Assembly.ID 1 _Assembly.Name 'PICK1 PDZ domain fused to the C10 DAT ligand' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'PICK1 PDZ domain fused to the C10 DAT ligand' 1 $entity A . yes native no no . . . 18522 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18522 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GSPGIPVPGKVTLQKDAQNL IGISIGGGAQYCPCLYIVQV FDNTPAALDGTVAAGDEITG VNGRSIKGKTKVEVAKMIQE VKGEVTIHYNKLQADPKQLE VLFQGPQFTLRHWLKVGSPG IPVPGKVTLQKDAQNLIGIS IGGGAQYCPCLYIVQVFDNT PAALDGTVAAGDEITGVNGR SIKGKTKVEVAKMIQEVKGE VTIHYNKLQADPKQLEVLFQ GPQFTLRHWLKV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 232 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24838.865 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 13 GLY . 18522 1 2 14 SER . 18522 1 3 15 PRO . 18522 1 4 16 GLY . 18522 1 5 17 ILE . 18522 1 6 18 PRO . 18522 1 7 19 VAL . 18522 1 8 20 PRO . 18522 1 9 21 GLY . 18522 1 10 22 LYS . 18522 1 11 23 VAL . 18522 1 12 24 THR . 18522 1 13 25 LEU . 18522 1 14 26 GLN . 18522 1 15 27 LYS . 18522 1 16 28 ASP . 18522 1 17 29 ALA . 18522 1 18 30 GLN . 18522 1 19 31 ASN . 18522 1 20 32 LEU . 18522 1 21 33 ILE . 18522 1 22 34 GLY . 18522 1 23 35 ILE . 18522 1 24 36 SER . 18522 1 25 37 ILE . 18522 1 26 38 GLY . 18522 1 27 39 GLY . 18522 1 28 40 GLY . 18522 1 29 41 ALA . 18522 1 30 42 GLN . 18522 1 31 43 TYR . 18522 1 32 44 CYS . 18522 1 33 45 PRO . 18522 1 34 46 CYS . 18522 1 35 47 LEU . 18522 1 36 48 TYR . 18522 1 37 49 ILE . 18522 1 38 50 VAL . 18522 1 39 51 GLN . 18522 1 40 52 VAL . 18522 1 41 53 PHE . 18522 1 42 54 ASP . 18522 1 43 55 ASN . 18522 1 44 56 THR . 18522 1 45 57 PRO . 18522 1 46 58 ALA . 18522 1 47 59 ALA . 18522 1 48 60 LEU . 18522 1 49 61 ASP . 18522 1 50 62 GLY . 18522 1 51 63 THR . 18522 1 52 64 VAL . 18522 1 53 65 ALA . 18522 1 54 66 ALA . 18522 1 55 67 GLY . 18522 1 56 68 ASP . 18522 1 57 69 GLU . 18522 1 58 70 ILE . 18522 1 59 71 THR . 18522 1 60 72 GLY . 18522 1 61 73 VAL . 18522 1 62 74 ASN . 18522 1 63 75 GLY . 18522 1 64 76 ARG . 18522 1 65 77 SER . 18522 1 66 78 ILE . 18522 1 67 79 LYS . 18522 1 68 80 GLY . 18522 1 69 81 LYS . 18522 1 70 82 THR . 18522 1 71 83 LYS . 18522 1 72 84 VAL . 18522 1 73 85 GLU . 18522 1 74 86 VAL . 18522 1 75 87 ALA . 18522 1 76 88 LYS . 18522 1 77 89 MET . 18522 1 78 90 ILE . 18522 1 79 91 GLN . 18522 1 80 92 GLU . 18522 1 81 93 VAL . 18522 1 82 94 LYS . 18522 1 83 95 GLY . 18522 1 84 96 GLU . 18522 1 85 97 VAL . 18522 1 86 98 THR . 18522 1 87 99 ILE . 18522 1 88 100 HIS . 18522 1 89 101 TYR . 18522 1 90 102 ASN . 18522 1 91 103 LYS . 18522 1 92 104 LEU . 18522 1 93 105 GLN . 18522 1 94 106 ALA . 18522 1 95 107 ASP . 18522 1 96 108 PRO . 18522 1 97 109 LYS . 18522 1 98 110 GLN . 18522 1 99 111 LEU . 18522 1 100 112 GLU . 18522 1 101 113 VAL . 18522 1 102 114 LEU . 18522 1 103 115 PHE . 18522 1 104 116 GLN . 18522 1 105 117 GLY . 18522 1 106 118 PRO . 18522 1 107 119 GLN . 18522 1 108 120 PHE . 18522 1 109 121 THR . 18522 1 110 122 LEU . 18522 1 111 123 ARG . 18522 1 112 124 HIS . 18522 1 113 125 TRP . 18522 1 114 126 LEU . 18522 1 115 127 LYS . 18522 1 116 128 VAL . 18522 1 117 129 GLY . 18522 1 118 130 SER . 18522 1 119 131 PRO . 18522 1 120 132 GLY . 18522 1 121 133 ILE . 18522 1 122 134 PRO . 18522 1 123 135 VAL . 18522 1 124 136 PRO . 18522 1 125 137 GLY . 18522 1 126 138 LYS . 18522 1 127 139 VAL . 18522 1 128 140 THR . 18522 1 129 141 LEU . 18522 1 130 142 GLN . 18522 1 131 143 LYS . 18522 1 132 144 ASP . 18522 1 133 145 ALA . 18522 1 134 146 GLN . 18522 1 135 147 ASN . 18522 1 136 148 LEU . 18522 1 137 149 ILE . 18522 1 138 150 GLY . 18522 1 139 151 ILE . 18522 1 140 152 SER . 18522 1 141 153 ILE . 18522 1 142 154 GLY . 18522 1 143 155 GLY . 18522 1 144 156 GLY . 18522 1 145 157 ALA . 18522 1 146 158 GLN . 18522 1 147 159 TYR . 18522 1 148 160 CYS . 18522 1 149 161 PRO . 18522 1 150 162 CYS . 18522 1 151 163 LEU . 18522 1 152 164 TYR . 18522 1 153 165 ILE . 18522 1 154 166 VAL . 18522 1 155 167 GLN . 18522 1 156 168 VAL . 18522 1 157 169 PHE . 18522 1 158 170 ASP . 18522 1 159 171 ASN . 18522 1 160 172 THR . 18522 1 161 173 PRO . 18522 1 162 174 ALA . 18522 1 163 175 ALA . 18522 1 164 176 LEU . 18522 1 165 177 ASP . 18522 1 166 178 GLY . 18522 1 167 179 THR . 18522 1 168 180 VAL . 18522 1 169 181 ALA . 18522 1 170 182 ALA . 18522 1 171 183 GLY . 18522 1 172 184 ASP . 18522 1 173 185 GLU . 18522 1 174 186 ILE . 18522 1 175 187 THR . 18522 1 176 188 GLY . 18522 1 177 189 VAL . 18522 1 178 190 ASN . 18522 1 179 191 GLY . 18522 1 180 192 ARG . 18522 1 181 193 SER . 18522 1 182 194 ILE . 18522 1 183 195 LYS . 18522 1 184 196 GLY . 18522 1 185 197 LYS . 18522 1 186 198 THR . 18522 1 187 199 LYS . 18522 1 188 200 VAL . 18522 1 189 201 GLU . 18522 1 190 202 VAL . 18522 1 191 203 ALA . 18522 1 192 204 LYS . 18522 1 193 205 MET . 18522 1 194 206 ILE . 18522 1 195 207 GLN . 18522 1 196 208 GLU . 18522 1 197 209 VAL . 18522 1 198 210 LYS . 18522 1 199 211 GLY . 18522 1 200 212 GLU . 18522 1 201 213 VAL . 18522 1 202 214 THR . 18522 1 203 215 ILE . 18522 1 204 216 HIS . 18522 1 205 217 TYR . 18522 1 206 218 ASN . 18522 1 207 219 LYS . 18522 1 208 220 LEU . 18522 1 209 221 GLN . 18522 1 210 222 ALA . 18522 1 211 223 ASP . 18522 1 212 224 PRO . 18522 1 213 225 LYS . 18522 1 214 226 GLN . 18522 1 215 227 LEU . 18522 1 216 228 GLU . 18522 1 217 229 VAL . 18522 1 218 230 LEU . 18522 1 219 231 PHE . 18522 1 220 232 GLN . 18522 1 221 233 GLY . 18522 1 222 234 PRO . 18522 1 223 235 GLN . 18522 1 224 236 PHE . 18522 1 225 237 THR . 18522 1 226 238 LEU . 18522 1 227 239 ARG . 18522 1 228 240 HIS . 18522 1 229 241 TRP . 18522 1 230 242 LEU . 18522 1 231 243 LYS . 18522 1 232 244 VAL . 18522 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18522 1 . SER 2 2 18522 1 . PRO 3 3 18522 1 . GLY 4 4 18522 1 . ILE 5 5 18522 1 . PRO 6 6 18522 1 . VAL 7 7 18522 1 . PRO 8 8 18522 1 . GLY 9 9 18522 1 . LYS 10 10 18522 1 . VAL 11 11 18522 1 . THR 12 12 18522 1 . LEU 13 13 18522 1 . GLN 14 14 18522 1 . LYS 15 15 18522 1 . ASP 16 16 18522 1 . ALA 17 17 18522 1 . GLN 18 18 18522 1 . ASN 19 19 18522 1 . LEU 20 20 18522 1 . ILE 21 21 18522 1 . GLY 22 22 18522 1 . ILE 23 23 18522 1 . SER 24 24 18522 1 . ILE 25 25 18522 1 . GLY 26 26 18522 1 . GLY 27 27 18522 1 . GLY 28 28 18522 1 . ALA 29 29 18522 1 . GLN 30 30 18522 1 . TYR 31 31 18522 1 . CYS 32 32 18522 1 . PRO 33 33 18522 1 . CYS 34 34 18522 1 . LEU 35 35 18522 1 . TYR 36 36 18522 1 . ILE 37 37 18522 1 . VAL 38 38 18522 1 . GLN 39 39 18522 1 . VAL 40 40 18522 1 . PHE 41 41 18522 1 . ASP 42 42 18522 1 . ASN 43 43 18522 1 . THR 44 44 18522 1 . PRO 45 45 18522 1 . ALA 46 46 18522 1 . ALA 47 47 18522 1 . LEU 48 48 18522 1 . ASP 49 49 18522 1 . GLY 50 50 18522 1 . THR 51 51 18522 1 . VAL 52 52 18522 1 . ALA 53 53 18522 1 . ALA 54 54 18522 1 . GLY 55 55 18522 1 . ASP 56 56 18522 1 . GLU 57 57 18522 1 . ILE 58 58 18522 1 . THR 59 59 18522 1 . GLY 60 60 18522 1 . VAL 61 61 18522 1 . ASN 62 62 18522 1 . GLY 63 63 18522 1 . ARG 64 64 18522 1 . SER 65 65 18522 1 . ILE 66 66 18522 1 . LYS 67 67 18522 1 . GLY 68 68 18522 1 . LYS 69 69 18522 1 . THR 70 70 18522 1 . LYS 71 71 18522 1 . VAL 72 72 18522 1 . GLU 73 73 18522 1 . VAL 74 74 18522 1 . ALA 75 75 18522 1 . LYS 76 76 18522 1 . MET 77 77 18522 1 . ILE 78 78 18522 1 . GLN 79 79 18522 1 . GLU 80 80 18522 1 . VAL 81 81 18522 1 . LYS 82 82 18522 1 . GLY 83 83 18522 1 . GLU 84 84 18522 1 . VAL 85 85 18522 1 . THR 86 86 18522 1 . ILE 87 87 18522 1 . HIS 88 88 18522 1 . TYR 89 89 18522 1 . ASN 90 90 18522 1 . LYS 91 91 18522 1 . LEU 92 92 18522 1 . GLN 93 93 18522 1 . ALA 94 94 18522 1 . ASP 95 95 18522 1 . PRO 96 96 18522 1 . LYS 97 97 18522 1 . GLN 98 98 18522 1 . LEU 99 99 18522 1 . GLU 100 100 18522 1 . VAL 101 101 18522 1 . LEU 102 102 18522 1 . PHE 103 103 18522 1 . GLN 104 104 18522 1 . GLY 105 105 18522 1 . PRO 106 106 18522 1 . GLN 107 107 18522 1 . PHE 108 108 18522 1 . THR 109 109 18522 1 . LEU 110 110 18522 1 . ARG 111 111 18522 1 . HIS 112 112 18522 1 . TRP 113 113 18522 1 . LEU 114 114 18522 1 . LYS 115 115 18522 1 . VAL 116 116 18522 1 . GLY 117 117 18522 1 . SER 118 118 18522 1 . PRO 119 119 18522 1 . GLY 120 120 18522 1 . ILE 121 121 18522 1 . PRO 122 122 18522 1 . VAL 123 123 18522 1 . PRO 124 124 18522 1 . GLY 125 125 18522 1 . LYS 126 126 18522 1 . VAL 127 127 18522 1 . THR 128 128 18522 1 . LEU 129 129 18522 1 . GLN 130 130 18522 1 . LYS 131 131 18522 1 . ASP 132 132 18522 1 . ALA 133 133 18522 1 . GLN 134 134 18522 1 . ASN 135 135 18522 1 . LEU 136 136 18522 1 . ILE 137 137 18522 1 . GLY 138 138 18522 1 . ILE 139 139 18522 1 . SER 140 140 18522 1 . ILE 141 141 18522 1 . GLY 142 142 18522 1 . GLY 143 143 18522 1 . GLY 144 144 18522 1 . ALA 145 145 18522 1 . GLN 146 146 18522 1 . TYR 147 147 18522 1 . CYS 148 148 18522 1 . PRO 149 149 18522 1 . CYS 150 150 18522 1 . LEU 151 151 18522 1 . TYR 152 152 18522 1 . ILE 153 153 18522 1 . VAL 154 154 18522 1 . GLN 155 155 18522 1 . VAL 156 156 18522 1 . PHE 157 157 18522 1 . ASP 158 158 18522 1 . ASN 159 159 18522 1 . THR 160 160 18522 1 . PRO 161 161 18522 1 . ALA 162 162 18522 1 . ALA 163 163 18522 1 . LEU 164 164 18522 1 . ASP 165 165 18522 1 . GLY 166 166 18522 1 . THR 167 167 18522 1 . VAL 168 168 18522 1 . ALA 169 169 18522 1 . ALA 170 170 18522 1 . GLY 171 171 18522 1 . ASP 172 172 18522 1 . GLU 173 173 18522 1 . ILE 174 174 18522 1 . THR 175 175 18522 1 . GLY 176 176 18522 1 . VAL 177 177 18522 1 . ASN 178 178 18522 1 . GLY 179 179 18522 1 . ARG 180 180 18522 1 . SER 181 181 18522 1 . ILE 182 182 18522 1 . LYS 183 183 18522 1 . GLY 184 184 18522 1 . LYS 185 185 18522 1 . THR 186 186 18522 1 . LYS 187 187 18522 1 . VAL 188 188 18522 1 . GLU 189 189 18522 1 . VAL 190 190 18522 1 . ALA 191 191 18522 1 . LYS 192 192 18522 1 . MET 193 193 18522 1 . ILE 194 194 18522 1 . GLN 195 195 18522 1 . GLU 196 196 18522 1 . VAL 197 197 18522 1 . LYS 198 198 18522 1 . GLY 199 199 18522 1 . GLU 200 200 18522 1 . VAL 201 201 18522 1 . THR 202 202 18522 1 . ILE 203 203 18522 1 . HIS 204 204 18522 1 . TYR 205 205 18522 1 . ASN 206 206 18522 1 . LYS 207 207 18522 1 . LEU 208 208 18522 1 . GLN 209 209 18522 1 . ALA 210 210 18522 1 . ASP 211 211 18522 1 . PRO 212 212 18522 1 . LYS 213 213 18522 1 . GLN 214 214 18522 1 . LEU 215 215 18522 1 . GLU 216 216 18522 1 . VAL 217 217 18522 1 . LEU 218 218 18522 1 . PHE 219 219 18522 1 . GLN 220 220 18522 1 . GLY 221 221 18522 1 . PRO 222 222 18522 1 . GLN 223 223 18522 1 . PHE 224 224 18522 1 . THR 225 225 18522 1 . LEU 226 226 18522 1 . ARG 227 227 18522 1 . HIS 228 228 18522 1 . TRP 229 229 18522 1 . LEU 230 230 18522 1 . LYS 231 231 18522 1 . VAL 232 232 18522 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 18522 _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 . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 18522 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 18522 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . pGEX4t2 . . . 18522 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_backbone _Sample.Sf_category sample _Sample.Sf_framecode backbone _Sample.Entry_ID 18522 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 18522 1 2 'sodium chloride' 'natural abundance' . . . . . . 125 . . mM . . . . 18522 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18522 1 4 protein '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 600 . . uM . . . . 18522 1 5 DSS 'natural abundance' . . . . . . 0.25 . . mM . . . . 18522 1 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 18522 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18522 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18522 1 stop_ save_ save_13C-HSQC-NOESY _Sample.Sf_category sample _Sample.Sf_framecode 13C-HSQC-NOESY _Sample.Entry_ID 18522 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 TRIS '[U-99% 2H]' . . . . . . 50 . . mM . . . . 18522 2 2 'sodium chloride' 'natural abundance' . . . . . . 125 . . mM . . . . 18522 2 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 18522 2 4 protein '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 600 . . uM . . . . 18522 2 5 DSS 'natural abundance' . . . . . . 0.25 . . mM . . . . 18522 2 6 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 18522 2 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18522 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18522 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.175 . M 18522 1 pH 7.4 . pH 18522 1 pressure 1 . atm 18522 1 temperature 273 . K 18522 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18522 _Software.ID 1 _Software.Type . _Software.Name VNMRJ _Software.Version 2.2D _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18522 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 18522 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18522 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18522 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 18522 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18522 _Software.ID 3 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 18522 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 18522 3 . 'structure solution' 18522 3 stop_ save_ save_CING _Software.Sf_category software _Software.Sf_framecode CING _Software.Entry_ID 18522 _Software.ID 4 _Software.Type . _Software.Name CING _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Geerten W. Vuister , Alan Wilter Sousa da Silva , and Jurgen F. Doreleijers' . . 18522 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . validation 18522 4 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 18522 _Software.ID 5 _Software.Type . _Software.Name Molmol _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 18522 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . representation 18522 5 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 18522 _Software.ID 6 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18522 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 18522 6 . 'data analysis' 18522 6 . 'peak picking' 18522 6 . refinement 18522 6 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18522 _Software.ID 7 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18522 7 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 18522 7 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 18522 _Software.ID 8 _Software.Type . _Software.Name X-PLOR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 18522 8 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'restraint deposition' 18522 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18522 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18522 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 18522 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 18522 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $backbone isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18522 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $13C-HSQC-NOESY isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18522 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $backbone isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18522 1 4 '3D HNCO' no . . . . . . . . . . 1 $backbone isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18522 1 5 '3D HNCA' no . . . . . . . . . . 1 $backbone isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18522 1 6 '3D HNCACB' no . . . . . . . . . . 1 $backbone isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18522 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $backbone isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18522 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $backbone isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18522 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $backbone isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18522 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $13C-HSQC-NOESY isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18522 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode DSS _Chem_shift_reference.Entry_ID 18522 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 18522 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 18522 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 18522 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_chemical_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_list _Assigned_chem_shift_list.Entry_ID 18522 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $DSS _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' . . . 18522 1 2 '2D 1H-13C HSQC' . . . 18522 1 3 '3D CBCA(CO)NH' . . . 18522 1 4 '3D HNCO' . . . 18522 1 5 '3D HNCA' . . . 18522 1 6 '3D HNCACB' . . . 18522 1 7 '3D HN(CO)CA' . . . 18522 1 8 '3D HCCH-TOCSY' . . . 18522 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PRO C C 13 177.225 0.000 . 1 . . . . A 15 PRO C . 18522 1 2 . 1 1 3 3 PRO CA C 13 63.508 0.000 . 1 . . . . A 15 PRO CA . 18522 1 3 . 1 1 3 3 PRO CB C 13 32.090 0.000 . 1 . . . . A 15 PRO CB . 18522 1 4 . 1 1 4 4 GLY H H 1 8.489 0.003 . 1 . . . . A 16 GLY H . 18522 1 5 . 1 1 4 4 GLY HA2 H 1 3.947 0.017 . 2 . . . . A 16 GLY HA2 . 18522 1 6 . 1 1 4 4 GLY HA3 H 1 3.909 0.015 . . . . . . A 16 GLY HA3 . 18522 1 7 . 1 1 4 4 GLY C C 13 173.398 0.000 . 1 . . . . A 16 GLY C . 18522 1 8 . 1 1 4 4 GLY CA C 13 45.128 0.033 . 1 . . . . A 16 GLY CA . 18522 1 9 . 1 1 4 4 GLY N N 15 108.829 0.038 . 1 . . . . A 16 GLY N . 18522 1 10 . 1 1 5 5 ILE H H 1 8.014 0.004 . 1 . . . . A 17 ILE H . 18522 1 11 . 1 1 5 5 ILE HA H 1 4.554 0.005 . 1 . . . . A 17 ILE HA . 18522 1 12 . 1 1 5 5 ILE HB H 1 1.894 0.012 . 1 . . . . A 17 ILE HB . 18522 1 13 . 1 1 5 5 ILE HG12 H 1 1.509 0.026 . 2 . . . . A 17 ILE HG12 . 18522 1 14 . 1 1 5 5 ILE HG13 H 1 1.172 0.007 . 2 . . . . A 17 ILE HG13 . 18522 1 15 . 1 1 5 5 ILE HG21 H 1 0.955 0.020 . . . . . . A 17 ILE HG21 . 18522 1 16 . 1 1 5 5 ILE HG22 H 1 0.955 0.020 . . . . . . A 17 ILE HG22 . 18522 1 17 . 1 1 5 5 ILE HG23 H 1 0.955 0.020 . . . . . . A 17 ILE HG23 . 18522 1 18 . 1 1 5 5 ILE HD11 H 1 0.866 0.003 . . . . . . A 17 ILE HD11 . 18522 1 19 . 1 1 5 5 ILE HD12 H 1 0.866 0.003 . . . . . . A 17 ILE HD12 . 18522 1 20 . 1 1 5 5 ILE HD13 H 1 0.866 0.003 . . . . . . A 17 ILE HD13 . 18522 1 21 . 1 1 5 5 ILE C C 13 174.332 0.000 . 1 . . . . A 17 ILE C . 18522 1 22 . 1 1 5 5 ILE CA C 13 58.245 0.053 . 1 . . . . A 17 ILE CA . 18522 1 23 . 1 1 5 5 ILE CB C 13 38.762 0.051 . 1 . . . . A 17 ILE CB . 18522 1 24 . 1 1 5 5 ILE CG1 C 13 26.758 0.182 . 1 . . . . A 17 ILE CG1 . 18522 1 25 . 1 1 5 5 ILE CG2 C 13 16.942 0.129 . 1 . . . . A 17 ILE CG2 . 18522 1 26 . 1 1 5 5 ILE CD1 C 13 12.552 0.036 . 1 . . . . A 17 ILE CD1 . 18522 1 27 . 1 1 5 5 ILE N N 15 121.763 0.024 . 1 . . . . A 17 ILE N . 18522 1 28 . 1 1 6 6 PRO HB2 H 1 1.679 0.007 . 2 . . . . A 18 PRO HB2 . 18522 1 29 . 1 1 6 6 PRO HB3 H 1 2.137 0.006 . 2 . . . . A 18 PRO HB3 . 18522 1 30 . 1 1 6 6 PRO HG2 H 1 2.013 0.022 . 2 . . . . A 18 PRO HG2 . 18522 1 31 . 1 1 6 6 PRO HG3 H 1 2.002 0.035 . 2 . . . . A 18 PRO HG3 . 18522 1 32 . 1 1 6 6 PRO HD2 H 1 3.912 0.021 . 2 . . . . A 18 PRO HD2 . 18522 1 33 . 1 1 6 6 PRO HD3 H 1 3.737 0.033 . 2 . . . . A 18 PRO HD3 . 18522 1 34 . 1 1 6 6 PRO C C 13 176.437 0.000 . 1 . . . . A 18 PRO C . 18522 1 35 . 1 1 6 6 PRO CA C 13 62.667 0.000 . 1 . . . . A 18 PRO CA . 18522 1 36 . 1 1 6 6 PRO CB C 13 32.469 0.145 . 1 . . . . A 18 PRO CB . 18522 1 37 . 1 1 6 6 PRO CD C 13 51.014 0.058 . 1 . . . . A 18 PRO CD . 18522 1 38 . 1 1 7 7 VAL H H 1 8.754 0.002 . 1 . . . . A 19 VAL H . 18522 1 39 . 1 1 7 7 VAL HA H 1 4.550 0.023 . 1 . . . . A 19 VAL HA . 18522 1 40 . 1 1 7 7 VAL HB H 1 2.107 0.009 . 1 . . . . A 19 VAL HB . 18522 1 41 . 1 1 7 7 VAL HG21 H 1 1.003 0.008 . . . . . . A 19 VAL HG21 . 18522 1 42 . 1 1 7 7 VAL HG22 H 1 1.003 0.008 . . . . . . A 19 VAL HG22 . 18522 1 43 . 1 1 7 7 VAL HG23 H 1 1.003 0.008 . . . . . . A 19 VAL HG23 . 18522 1 44 . 1 1 7 7 VAL C C 13 174.453 0.000 . 1 . . . . A 19 VAL C . 18522 1 45 . 1 1 7 7 VAL CA C 13 59.846 0.126 . 1 . . . . A 19 VAL CA . 18522 1 46 . 1 1 7 7 VAL CB C 13 33.510 0.045 . 1 . . . . A 19 VAL CB . 18522 1 47 . 1 1 7 7 VAL CG2 C 13 21.087 0.161 . 2 . . . . A 19 VAL CG2 . 18522 1 48 . 1 1 7 7 VAL N N 15 123.849 0.039 . 1 . . . . A 19 VAL N . 18522 1 49 . 1 1 8 8 PRO HA H 1 5.338 0.003 . 1 . . . . A 20 PRO HA . 18522 1 50 . 1 1 8 8 PRO HB2 H 1 2.304 0.006 . 2 . . . . A 20 PRO HB2 . 18522 1 51 . 1 1 8 8 PRO HB3 H 1 1.890 0.004 . 2 . . . . A 20 PRO HB3 . 18522 1 52 . 1 1 8 8 PRO HG2 H 1 2.019 0.007 . 2 . . . . A 20 PRO HG2 . 18522 1 53 . 1 1 8 8 PRO HD2 H 1 3.820 0.010 . 2 . . . . A 20 PRO HD2 . 18522 1 54 . 1 1 8 8 PRO C C 13 177.585 0.000 . 1 . . . . A 20 PRO C . 18522 1 55 . 1 1 8 8 PRO CA C 13 62.406 0.059 . 1 . . . . A 20 PRO CA . 18522 1 56 . 1 1 8 8 PRO CB C 13 32.891 0.076 . 1 . . . . A 20 PRO CB . 18522 1 57 . 1 1 8 8 PRO CD C 13 51.603 0.000 . 1 . . . . A 20 PRO CD . 18522 1 58 . 1 1 9 9 GLY H H 1 8.258 0.005 . 1 . . . . A 21 GLY H . 18522 1 59 . 1 1 9 9 GLY HA2 H 1 4.048 0.008 . 2 . . . . A 21 GLY HA2 . 18522 1 60 . 1 1 9 9 GLY HA3 H 1 3.320 0.009 . . . . . . A 21 GLY HA3 . 18522 1 61 . 1 1 9 9 GLY C C 13 171.443 0.000 . 1 . . . . A 21 GLY C . 18522 1 62 . 1 1 9 9 GLY CA C 13 44.581 0.067 . 1 . . . . A 21 GLY CA . 18522 1 63 . 1 1 9 9 GLY N N 15 108.426 0.063 . 1 . . . . A 21 GLY N . 18522 1 64 . 1 1 10 10 LYS H H 1 8.175 0.005 . 1 . . . . A 22 LYS H . 18522 1 65 . 1 1 10 10 LYS HA H 1 4.039 0.000 . 1 . . . . A 22 LYS HA . 18522 1 66 . 1 1 10 10 LYS HG2 H 1 1.242 0.008 . 2 . . . . A 22 LYS HG2 . 18522 1 67 . 1 1 10 10 LYS C C 13 174.463 0.016 . 1 . . . . A 22 LYS C . 18522 1 68 . 1 1 10 10 LYS CA C 13 55.263 0.000 . 1 . . . . A 22 LYS CA . 18522 1 69 . 1 1 10 10 LYS CB C 13 35.227 0.012 . 1 . . . . A 22 LYS CB . 18522 1 70 . 1 1 10 10 LYS CG C 13 25.660 0.000 . 1 . . . . A 22 LYS CG . 18522 1 71 . 1 1 10 10 LYS N N 15 117.372 0.057 . 1 . . . . A 22 LYS N . 18522 1 72 . 1 1 11 11 VAL H H 1 8.862 0.010 . 1 . . . . A 23 VAL H . 18522 1 73 . 1 1 11 11 VAL HA H 1 4.708 0.003 . 1 . . . . A 23 VAL HA . 18522 1 74 . 1 1 11 11 VAL HB H 1 2.161 0.002 . 1 . . . . A 23 VAL HB . 18522 1 75 . 1 1 11 11 VAL HG11 H 1 0.944 0.010 . . . . . . A 23 VAL HG11 . 18522 1 76 . 1 1 11 11 VAL HG12 H 1 0.944 0.010 . . . . . . A 23 VAL HG12 . 18522 1 77 . 1 1 11 11 VAL HG13 H 1 0.944 0.010 . . . . . . A 23 VAL HG13 . 18522 1 78 . 1 1 11 11 VAL HG21 H 1 1.044 0.009 . . . . . . A 23 VAL HG21 . 18522 1 79 . 1 1 11 11 VAL HG22 H 1 1.044 0.009 . . . . . . A 23 VAL HG22 . 18522 1 80 . 1 1 11 11 VAL HG23 H 1 1.044 0.009 . . . . . . A 23 VAL HG23 . 18522 1 81 . 1 1 11 11 VAL C C 13 171.873 0.004 . 1 . . . . A 23 VAL C . 18522 1 82 . 1 1 11 11 VAL CA C 13 59.866 0.022 . 1 . . . . A 23 VAL CA . 18522 1 83 . 1 1 11 11 VAL CB C 13 35.269 0.041 . 1 . . . . A 23 VAL CB . 18522 1 84 . 1 1 11 11 VAL CG1 C 13 19.260 0.070 . 2 . . . . A 23 VAL CG1 . 18522 1 85 . 1 1 11 11 VAL CG2 C 13 21.529 0.029 . 2 . . . . A 23 VAL CG2 . 18522 1 86 . 1 1 11 11 VAL N N 15 120.387 0.033 . 1 . . . . A 23 VAL N . 18522 1 87 . 1 1 12 12 THR H H 1 8.859 0.006 . 1 . . . . A 24 THR H . 18522 1 88 . 1 1 12 12 THR HA H 1 5.121 0.047 . 1 . . . . A 24 THR HA . 18522 1 89 . 1 1 12 12 THR HB H 1 3.803 0.003 . 1 . . . . A 24 THR HB . 18522 1 90 . 1 1 12 12 THR HG21 H 1 1.000 0.019 . . . . . . A 24 THR HG21 . 18522 1 91 . 1 1 12 12 THR HG22 H 1 1.000 0.019 . . . . . . A 24 THR HG22 . 18522 1 92 . 1 1 12 12 THR HG23 H 1 1.000 0.019 . . . . . . A 24 THR HG23 . 18522 1 93 . 1 1 12 12 THR C C 13 173.407 0.000 . 1 . . . . A 24 THR C . 18522 1 94 . 1 1 12 12 THR CA C 13 62.115 0.004 . 1 . . . . A 24 THR CA . 18522 1 95 . 1 1 12 12 THR CB C 13 69.606 0.062 . 1 . . . . A 24 THR CB . 18522 1 96 . 1 1 12 12 THR N N 15 125.797 0.090 . 1 . . . . A 24 THR N . 18522 1 97 . 1 1 13 13 LEU H H 1 9.258 0.009 . 1 . . . . A 25 LEU H . 18522 1 98 . 1 1 13 13 LEU HA H 1 4.809 0.005 . 1 . . . . A 25 LEU HA . 18522 1 99 . 1 1 13 13 LEU HB2 H 1 1.250 0.012 . 2 . . . . A 25 LEU HB2 . 18522 1 100 . 1 1 13 13 LEU HB3 H 1 1.586 0.012 . 2 . . . . A 25 LEU HB3 . 18522 1 101 . 1 1 13 13 LEU HD11 H 1 0.773 0.011 . . . . . . A 25 LEU HD11 . 18522 1 102 . 1 1 13 13 LEU HD12 H 1 0.773 0.011 . . . . . . A 25 LEU HD12 . 18522 1 103 . 1 1 13 13 LEU HD13 H 1 0.773 0.011 . . . . . . A 25 LEU HD13 . 18522 1 104 . 1 1 13 13 LEU HD21 H 1 0.837 0.011 . . . . . . A 25 LEU HD21 . 18522 1 105 . 1 1 13 13 LEU HD22 H 1 0.837 0.011 . . . . . . A 25 LEU HD22 . 18522 1 106 . 1 1 13 13 LEU HD23 H 1 0.837 0.011 . . . . . . A 25 LEU HD23 . 18522 1 107 . 1 1 13 13 LEU C C 13 175.029 0.015 . 1 . . . . A 25 LEU C . 18522 1 108 . 1 1 13 13 LEU CA C 13 52.623 0.024 . 1 . . . . A 25 LEU CA . 18522 1 109 . 1 1 13 13 LEU CB C 13 46.242 0.108 . 1 . . . . A 25 LEU CB . 18522 1 110 . 1 1 13 13 LEU N N 15 127.960 0.029 . 1 . . . . A 25 LEU N . 18522 1 111 . 1 1 14 14 GLN H H 1 8.530 0.005 . 1 . . . . A 26 GLN H . 18522 1 112 . 1 1 14 14 GLN HA H 1 4.482 0.018 . 1 . . . . A 26 GLN HA . 18522 1 113 . 1 1 14 14 GLN HB2 H 1 2.089 0.004 . 2 . . . . A 26 GLN HB2 . 18522 1 114 . 1 1 14 14 GLN HB3 H 1 1.946 0.003 . 2 . . . . A 26 GLN HB3 . 18522 1 115 . 1 1 14 14 GLN HG2 H 1 2.422 0.004 . 2 . . . . A 26 GLN HG2 . 18522 1 116 . 1 1 14 14 GLN HE21 H 1 7.725 0.000 . 2 . . . . A 26 GLN HE21 . 18522 1 117 . 1 1 14 14 GLN HE22 H 1 7.019 0.003 . 2 . . . . A 26 GLN HE22 . 18522 1 118 . 1 1 14 14 GLN C C 13 174.515 0.000 . 1 . . . . A 26 GLN C . 18522 1 119 . 1 1 14 14 GLN CA C 13 54.576 0.056 . 1 . . . . A 26 GLN CA . 18522 1 120 . 1 1 14 14 GLN CB C 13 29.516 0.108 . 1 . . . . A 26 GLN CB . 18522 1 121 . 1 1 14 14 GLN CG C 13 33.976 0.044 . 1 . . . . A 26 GLN CG . 18522 1 122 . 1 1 14 14 GLN N N 15 120.858 0.032 . 1 . . . . A 26 GLN N . 18522 1 123 . 1 1 14 14 GLN NE2 N 15 113.374 0.059 . 1 . . . . A 26 GLN NE2 . 18522 1 124 . 1 1 15 15 LYS H H 1 8.099 0.005 . 1 . . . . A 27 LYS H . 18522 1 125 . 1 1 15 15 LYS HA H 1 4.180 0.004 . 1 . . . . A 27 LYS HA . 18522 1 126 . 1 1 15 15 LYS HB2 H 1 1.893 0.026 . 2 . . . . A 27 LYS HB2 . 18522 1 127 . 1 1 15 15 LYS HB3 H 1 1.607 0.004 . 2 . . . . A 27 LYS HB3 . 18522 1 128 . 1 1 15 15 LYS HG2 H 1 1.207 0.013 . 2 . . . . A 27 LYS HG2 . 18522 1 129 . 1 1 15 15 LYS HD2 H 1 1.571 0.011 . 2 . . . . A 27 LYS HD2 . 18522 1 130 . 1 1 15 15 LYS HD3 H 1 1.397 0.013 . 2 . . . . A 27 LYS HD3 . 18522 1 131 . 1 1 15 15 LYS HE2 H 1 2.742 0.000 . 2 . . . . A 27 LYS HE2 . 18522 1 132 . 1 1 15 15 LYS HE3 H 1 2.808 0.000 . 2 . . . . A 27 LYS HE3 . 18522 1 133 . 1 1 15 15 LYS C C 13 177.468 0.000 . 1 . . . . A 27 LYS C . 18522 1 134 . 1 1 15 15 LYS CA C 13 55.956 0.051 . 1 . . . . A 27 LYS CA . 18522 1 135 . 1 1 15 15 LYS CB C 13 34.099 0.079 . 1 . . . . A 27 LYS CB . 18522 1 136 . 1 1 15 15 LYS CD C 13 29.115 0.156 . 1 . . . . A 27 LYS CD . 18522 1 137 . 1 1 15 15 LYS N N 15 119.583 0.070 . 1 . . . . A 27 LYS N . 18522 1 138 . 1 1 16 16 ASP H H 1 8.888 0.005 . 1 . . . . A 28 ASP H . 18522 1 139 . 1 1 16 16 ASP HA H 1 4.590 0.034 . 1 . . . . A 28 ASP HA . 18522 1 140 . 1 1 16 16 ASP HB2 H 1 3.387 0.008 . 2 . . . . A 28 ASP HB2 . 18522 1 141 . 1 1 16 16 ASP HB3 H 1 2.542 0.010 . 2 . . . . A 28 ASP HB3 . 18522 1 142 . 1 1 16 16 ASP C C 13 178.392 0.000 . 1 . . . . A 28 ASP C . 18522 1 143 . 1 1 16 16 ASP CA C 13 52.426 0.029 . 1 . . . . A 28 ASP CA . 18522 1 144 . 1 1 16 16 ASP CB C 13 41.377 0.045 . 1 . . . . A 28 ASP CB . 18522 1 145 . 1 1 16 16 ASP N N 15 121.439 0.064 . 1 . . . . A 28 ASP N . 18522 1 146 . 1 1 17 17 ALA H H 1 8.392 0.005 . 1 . . . . A 29 ALA H . 18522 1 147 . 1 1 17 17 ALA HA H 1 4.188 0.006 . 1 . . . . A 29 ALA HA . 18522 1 148 . 1 1 17 17 ALA HB1 H 1 1.471 0.004 . . . . . . A 29 ALA HB1 . 18522 1 149 . 1 1 17 17 ALA HB2 H 1 1.471 0.004 . . . . . . A 29 ALA HB2 . 18522 1 150 . 1 1 17 17 ALA HB3 H 1 1.471 0.004 . . . . . . A 29 ALA HB3 . 18522 1 151 . 1 1 17 17 ALA C C 13 178.763 0.000 . 1 . . . . A 29 ALA C . 18522 1 152 . 1 1 17 17 ALA CA C 13 54.434 0.034 . 1 . . . . A 29 ALA CA . 18522 1 153 . 1 1 17 17 ALA CB C 13 18.293 0.096 . 1 . . . . A 29 ALA CB . 18522 1 154 . 1 1 17 17 ALA N N 15 119.578 0.053 . 1 . . . . A 29 ALA N . 18522 1 155 . 1 1 18 18 GLN H H 1 8.353 0.011 . 1 . . . . A 30 GLN H . 18522 1 156 . 1 1 18 18 GLN HA H 1 4.399 0.009 . 1 . . . . A 30 GLN HA . 18522 1 157 . 1 1 18 18 GLN HB2 H 1 2.300 0.005 . 2 . . . . A 30 GLN HB2 . 18522 1 158 . 1 1 18 18 GLN HB3 H 1 2.128 0.008 . 2 . . . . A 30 GLN HB3 . 18522 1 159 . 1 1 18 18 GLN HG2 H 1 2.324 0.008 . 2 . . . . A 30 GLN HG2 . 18522 1 160 . 1 1 18 18 GLN HE21 H 1 7.556 0.005 . 2 . . . . A 30 GLN HE21 . 18522 1 161 . 1 1 18 18 GLN HE22 H 1 6.947 0.003 . 2 . . . . A 30 GLN HE22 . 18522 1 162 . 1 1 18 18 GLN C C 13 175.168 0.000 . 1 . . . . A 30 GLN C . 18522 1 163 . 1 1 18 18 GLN CA C 13 55.339 0.069 . 1 . . . . A 30 GLN CA . 18522 1 164 . 1 1 18 18 GLN CB C 13 28.589 0.052 . 1 . . . . A 30 GLN CB . 18522 1 165 . 1 1 18 18 GLN CG C 13 34.839 0.036 . 1 . . . . A 30 GLN CG . 18522 1 166 . 1 1 18 18 GLN N N 15 117.564 0.113 . 1 . . . . A 30 GLN N . 18522 1 167 . 1 1 18 18 GLN NE2 N 15 112.871 0.091 . 1 . . . . A 30 GLN NE2 . 18522 1 168 . 1 1 19 19 ASN H H 1 8.521 0.006 . 1 . . . . A 31 ASN H . 18522 1 169 . 1 1 19 19 ASN HA H 1 4.315 0.005 . 1 . . . . A 31 ASN HA . 18522 1 170 . 1 1 19 19 ASN HB2 H 1 2.528 0.003 . 2 . . . . A 31 ASN HB2 . 18522 1 171 . 1 1 19 19 ASN HB3 H 1 3.536 0.008 . 2 . . . . A 31 ASN HB3 . 18522 1 172 . 1 1 19 19 ASN HD21 H 1 7.468 0.007 . 2 . . . . A 31 ASN HD21 . 18522 1 173 . 1 1 19 19 ASN HD22 H 1 7.869 0.002 . 2 . . . . A 31 ASN HD22 . 18522 1 174 . 1 1 19 19 ASN C C 13 174.043 0.000 . 1 . . . . A 31 ASN C . 18522 1 175 . 1 1 19 19 ASN CA C 13 54.303 0.076 . 1 . . . . A 31 ASN CA . 18522 1 176 . 1 1 19 19 ASN CB C 13 37.610 0.034 . 1 . . . . A 31 ASN CB . 18522 1 177 . 1 1 19 19 ASN N N 15 115.365 0.032 . 1 . . . . A 31 ASN N . 18522 1 178 . 1 1 19 19 ASN ND2 N 15 113.103 0.141 . 1 . . . . A 31 ASN ND2 . 18522 1 179 . 1 1 20 20 LEU H H 1 8.155 0.008 . 1 . . . . A 32 LEU H . 18522 1 180 . 1 1 20 20 LEU HA H 1 4.900 0.016 . 1 . . . . A 32 LEU HA . 18522 1 181 . 1 1 20 20 LEU HB2 H 1 1.268 0.008 . 2 . . . . A 32 LEU HB2 . 18522 1 182 . 1 1 20 20 LEU HB3 H 1 1.938 0.011 . 2 . . . . A 32 LEU HB3 . 18522 1 183 . 1 1 20 20 LEU HG H 1 1.500 0.004 . 1 . . . . A 32 LEU HG . 18522 1 184 . 1 1 20 20 LEU HD11 H 1 0.787 0.004 . . . . . . A 32 LEU HD11 . 18522 1 185 . 1 1 20 20 LEU HD12 H 1 0.787 0.004 . . . . . . A 32 LEU HD12 . 18522 1 186 . 1 1 20 20 LEU HD13 H 1 0.787 0.004 . . . . . . A 32 LEU HD13 . 18522 1 187 . 1 1 20 20 LEU HD21 H 1 0.780 0.005 . . . . . . A 32 LEU HD21 . 18522 1 188 . 1 1 20 20 LEU HD22 H 1 0.780 0.005 . . . . . . A 32 LEU HD22 . 18522 1 189 . 1 1 20 20 LEU HD23 H 1 0.780 0.005 . . . . . . A 32 LEU HD23 . 18522 1 190 . 1 1 20 20 LEU C C 13 178.117 0.000 . 1 . . . . A 32 LEU C . 18522 1 191 . 1 1 20 20 LEU CA C 13 53.957 0.007 . 1 . . . . A 32 LEU CA . 18522 1 192 . 1 1 20 20 LEU CB C 13 44.774 0.090 . 1 . . . . A 32 LEU CB . 18522 1 193 . 1 1 20 20 LEU CD1 C 13 23.014 0.079 . 2 . . . . A 32 LEU CD1 . 18522 1 194 . 1 1 20 20 LEU N N 15 118.660 0.055 . 1 . . . . A 32 LEU N . 18522 1 195 . 1 1 21 21 ILE H H 1 11.488 0.007 . 1 . . . . A 33 ILE H . 18522 1 196 . 1 1 21 21 ILE HA H 1 4.674 0.006 . 1 . . . . A 33 ILE HA . 18522 1 197 . 1 1 21 21 ILE HB H 1 1.950 0.015 . 1 . . . . A 33 ILE HB . 18522 1 198 . 1 1 21 21 ILE HG12 H 1 1.541 0.024 . 2 . . . . A 33 ILE HG12 . 18522 1 199 . 1 1 21 21 ILE HG13 H 1 1.497 0.014 . 2 . . . . A 33 ILE HG13 . 18522 1 200 . 1 1 21 21 ILE HG21 H 1 0.774 0.015 . . . . . . A 33 ILE HG21 . 18522 1 201 . 1 1 21 21 ILE HG22 H 1 0.774 0.015 . . . . . . A 33 ILE HG22 . 18522 1 202 . 1 1 21 21 ILE HG23 H 1 0.774 0.015 . . . . . . A 33 ILE HG23 . 18522 1 203 . 1 1 21 21 ILE HD11 H 1 0.725 0.031 . . . . . . A 33 ILE HD11 . 18522 1 204 . 1 1 21 21 ILE HD12 H 1 0.725 0.031 . . . . . . A 33 ILE HD12 . 18522 1 205 . 1 1 21 21 ILE HD13 H 1 0.725 0.031 . . . . . . A 33 ILE HD13 . 18522 1 206 . 1 1 21 21 ILE C C 13 176.185 0.000 . 1 . . . . A 33 ILE C . 18522 1 207 . 1 1 21 21 ILE CA C 13 62.602 0.156 . 1 . . . . A 33 ILE CA . 18522 1 208 . 1 1 21 21 ILE CB C 13 39.016 0.039 . 1 . . . . A 33 ILE CB . 18522 1 209 . 1 1 21 21 ILE CG1 C 13 25.913 0.204 . 1 . . . . A 33 ILE CG1 . 18522 1 210 . 1 1 21 21 ILE CG2 C 13 19.728 0.078 . 1 . . . . A 33 ILE CG2 . 18522 1 211 . 1 1 21 21 ILE CD1 C 13 13.994 0.172 . 1 . . . . A 33 ILE CD1 . 18522 1 212 . 1 1 21 21 ILE N N 15 116.785 0.080 . 1 . . . . A 33 ILE N . 18522 1 213 . 1 1 22 22 GLY H H 1 9.854 0.009 . 1 . . . . A 34 GLY H . 18522 1 214 . 1 1 22 22 GLY HA2 H 1 3.787 0.006 . 2 . . . . A 34 GLY HA2 . 18522 1 215 . 1 1 22 22 GLY HA3 H 1 5.199 0.003 . . . . . . A 34 GLY HA3 . 18522 1 216 . 1 1 22 22 GLY C C 13 173.993 0.000 . 1 . . . . A 34 GLY C . 18522 1 217 . 1 1 22 22 GLY CA C 13 45.980 0.014 . 1 . . . . A 34 GLY CA . 18522 1 218 . 1 1 22 22 GLY N N 15 111.234 0.050 . 1 . . . . A 34 GLY N . 18522 1 219 . 1 1 23 23 ILE H H 1 7.835 0.006 . 1 . . . . A 35 ILE H . 18522 1 220 . 1 1 23 23 ILE HA H 1 5.535 0.012 . 1 . . . . A 35 ILE HA . 18522 1 221 . 1 1 23 23 ILE HB H 1 2.018 0.022 . 1 . . . . A 35 ILE HB . 18522 1 222 . 1 1 23 23 ILE HG12 H 1 1.269 0.011 . 2 . . . . A 35 ILE HG12 . 18522 1 223 . 1 1 23 23 ILE HG13 H 1 1.140 0.005 . 2 . . . . A 35 ILE HG13 . 18522 1 224 . 1 1 23 23 ILE HG21 H 1 0.709 0.028 . . . . . . A 35 ILE HG21 . 18522 1 225 . 1 1 23 23 ILE HG22 H 1 0.709 0.028 . . . . . . A 35 ILE HG22 . 18522 1 226 . 1 1 23 23 ILE HG23 H 1 0.709 0.028 . . . . . . A 35 ILE HG23 . 18522 1 227 . 1 1 23 23 ILE HD11 H 1 0.597 0.031 . . . . . . A 35 ILE HD11 . 18522 1 228 . 1 1 23 23 ILE HD12 H 1 0.597 0.031 . . . . . . A 35 ILE HD12 . 18522 1 229 . 1 1 23 23 ILE HD13 H 1 0.597 0.031 . . . . . . A 35 ILE HD13 . 18522 1 230 . 1 1 23 23 ILE C C 13 175.033 0.000 . 1 . . . . A 35 ILE C . 18522 1 231 . 1 1 23 23 ILE CA C 13 58.415 0.088 . 1 . . . . A 35 ILE CA . 18522 1 232 . 1 1 23 23 ILE CB C 13 41.577 0.046 . 1 . . . . A 35 ILE CB . 18522 1 233 . 1 1 23 23 ILE CG1 C 13 26.068 0.098 . 1 . . . . A 35 ILE CG1 . 18522 1 234 . 1 1 23 23 ILE CG2 C 13 17.968 0.056 . 1 . . . . A 35 ILE CG2 . 18522 1 235 . 1 1 23 23 ILE CD1 C 13 13.414 0.065 . 1 . . . . A 35 ILE CD1 . 18522 1 236 . 1 1 23 23 ILE N N 15 111.117 0.040 . 1 . . . . A 35 ILE N . 18522 1 237 . 1 1 24 24 SER H H 1 8.623 0.007 . 1 . . . . A 36 SER H . 18522 1 238 . 1 1 24 24 SER HA H 1 4.232 0.022 . 1 . . . . A 36 SER HA . 18522 1 239 . 1 1 24 24 SER HG H 1 5.907 0.006 . 1 . . . . A 36 SER HG . 18522 1 240 . 1 1 24 24 SER C C 13 174.735 0.000 . 1 . . . . A 36 SER C . 18522 1 241 . 1 1 24 24 SER CA C 13 56.121 0.022 . 1 . . . . A 36 SER CA . 18522 1 242 . 1 1 24 24 SER CB C 13 66.097 0.044 . 1 . . . . A 36 SER CB . 18522 1 243 . 1 1 24 24 SER N N 15 114.908 0.066 . 1 . . . . A 36 SER N . 18522 1 244 . 1 1 25 25 ILE H H 1 9.130 0.011 . 1 . . . . A 37 ILE H . 18522 1 245 . 1 1 25 25 ILE C C 13 174.340 0.000 . 1 . . . . A 37 ILE C . 18522 1 246 . 1 1 25 25 ILE CA C 13 59.123 0.004 . 1 . . . . A 37 ILE CA . 18522 1 247 . 1 1 25 25 ILE CB C 13 41.637 0.000 . 1 . . . . A 37 ILE CB . 18522 1 248 . 1 1 25 25 ILE N N 15 117.739 0.044 . 1 . . . . A 37 ILE N . 18522 1 249 . 1 1 26 26 GLY H H 1 8.841 0.008 . 1 . . . . A 38 GLY H . 18522 1 250 . 1 1 26 26 GLY HA2 H 1 3.625 0.014 . 2 . . . . A 38 GLY HA2 . 18522 1 251 . 1 1 26 26 GLY HA3 H 1 4.747 0.006 . . . . . . A 38 GLY HA3 . 18522 1 252 . 1 1 26 26 GLY CA C 13 44.112 0.018 . 1 . . . . A 38 GLY CA . 18522 1 253 . 1 1 26 26 GLY N N 15 108.069 0.073 . 1 . . . . A 38 GLY N . 18522 1 254 . 1 1 27 27 GLY H H 1 8.187 0.000 . 1 . . . . A 39 GLY H . 18522 1 255 . 1 1 27 27 GLY C C 13 173.956 0.000 . 1 . . . . A 39 GLY C . 18522 1 256 . 1 1 27 27 GLY N N 15 109.016 0.000 . 1 . . . . A 39 GLY N . 18522 1 257 . 1 1 28 28 GLY H H 1 8.275 0.008 . 1 . . . . A 40 GLY H . 18522 1 258 . 1 1 28 28 GLY HA2 H 1 3.768 0.030 . 2 . . . . A 40 GLY HA2 . 18522 1 259 . 1 1 28 28 GLY HA3 H 1 3.947 0.009 . . . . . . A 40 GLY HA3 . 18522 1 260 . 1 1 28 28 GLY C C 13 174.255 0.000 . 1 . . . . A 40 GLY C . 18522 1 261 . 1 1 28 28 GLY CA C 13 47.098 0.076 . 1 . . . . A 40 GLY CA . 18522 1 262 . 1 1 28 28 GLY N N 15 111.783 0.031 . 1 . . . . A 40 GLY N . 18522 1 263 . 1 1 29 29 ALA H H 1 8.012 0.006 . 1 . . . . A 41 ALA H . 18522 1 264 . 1 1 29 29 ALA HA H 1 4.559 0.006 . 1 . . . . A 41 ALA HA . 18522 1 265 . 1 1 29 29 ALA HB1 H 1 1.020 0.005 . . . . . . A 41 ALA HB1 . 18522 1 266 . 1 1 29 29 ALA HB2 H 1 1.020 0.005 . . . . . . A 41 ALA HB2 . 18522 1 267 . 1 1 29 29 ALA HB3 H 1 1.020 0.005 . . . . . . A 41 ALA HB3 . 18522 1 268 . 1 1 29 29 ALA CA C 13 51.073 0.086 . 1 . . . . A 41 ALA CA . 18522 1 269 . 1 1 29 29 ALA CB C 13 21.926 0.016 . 1 . . . . A 41 ALA CB . 18522 1 270 . 1 1 29 29 ALA N N 15 123.128 0.055 . 1 . . . . A 41 ALA N . 18522 1 271 . 1 1 30 30 GLN HE21 H 1 6.862 0.000 . 2 . . . . A 42 GLN HE21 . 18522 1 272 . 1 1 30 30 GLN NE2 N 15 112.363 0.000 . 1 . . . . A 42 GLN NE2 . 18522 1 273 . 1 1 31 31 TYR HA H 1 4.549 0.006 . 1 . . . . A 43 TYR HA . 18522 1 274 . 1 1 31 31 TYR HB2 H 1 3.085 0.009 . 2 . . . . A 43 TYR HB2 . 18522 1 275 . 1 1 31 31 TYR HB3 H 1 3.258 0.007 . 2 . . . . A 43 TYR HB3 . 18522 1 276 . 1 1 31 31 TYR CA C 13 57.147 0.033 . 1 . . . . A 43 TYR CA . 18522 1 277 . 1 1 31 31 TYR CB C 13 37.495 0.119 . 1 . . . . A 43 TYR CB . 18522 1 278 . 1 1 32 32 CYS H H 1 7.504 0.010 . 1 . . . . A 44 CYS H . 18522 1 279 . 1 1 32 32 CYS HA H 1 4.859 0.002 . 1 . . . . A 44 CYS HA . 18522 1 280 . 1 1 32 32 CYS HB2 H 1 2.855 0.008 . 2 . . . . A 44 CYS HB2 . 18522 1 281 . 1 1 32 32 CYS HB3 H 1 2.934 0.005 . 2 . . . . A 44 CYS HB3 . 18522 1 282 . 1 1 32 32 CYS CA C 13 57.406 0.019 . 1 . . . . A 44 CYS CA . 18522 1 283 . 1 1 32 32 CYS CB C 13 27.673 0.042 . 1 . . . . A 44 CYS CB . 18522 1 284 . 1 1 32 32 CYS N N 15 119.332 0.157 . 1 . . . . A 44 CYS N . 18522 1 285 . 1 1 33 33 PRO HA H 1 4.413 0.007 . 1 . . . . A 45 PRO HA . 18522 1 286 . 1 1 33 33 PRO HB2 H 1 2.039 0.002 . 2 . . . . A 45 PRO HB2 . 18522 1 287 . 1 1 33 33 PRO HB3 H 1 2.308 0.002 . 2 . . . . A 45 PRO HB3 . 18522 1 288 . 1 1 33 33 PRO HG2 H 1 2.083 0.024 . 2 . . . . A 45 PRO HG2 . 18522 1 289 . 1 1 33 33 PRO HG3 H 1 1.917 0.036 . 2 . . . . A 45 PRO HG3 . 18522 1 290 . 1 1 33 33 PRO HD2 H 1 3.962 0.026 . 2 . . . . A 45 PRO HD2 . 18522 1 291 . 1 1 33 33 PRO CA C 13 64.885 0.106 . 1 . . . . A 45 PRO CA . 18522 1 292 . 1 1 33 33 PRO CB C 13 32.318 0.000 . 1 . . . . A 45 PRO CB . 18522 1 293 . 1 1 33 33 PRO CG C 13 27.838 0.000 . 1 . . . . A 45 PRO CG . 18522 1 294 . 1 1 33 33 PRO CD C 13 50.569 0.000 . 1 . . . . A 45 PRO CD . 18522 1 295 . 1 1 34 34 CYS H H 1 7.973 0.004 . 1 . . . . A 46 CYS H . 18522 1 296 . 1 1 34 34 CYS C C 13 172.064 0.000 . 1 . . . . A 46 CYS C . 18522 1 297 . 1 1 34 34 CYS CA C 13 60.066 0.046 . 1 . . . . A 46 CYS CA . 18522 1 298 . 1 1 34 34 CYS CB C 13 28.715 0.007 . 1 . . . . A 46 CYS CB . 18522 1 299 . 1 1 34 34 CYS N N 15 117.327 0.155 . 1 . . . . A 46 CYS N . 18522 1 300 . 1 1 35 35 LEU H H 1 8.629 0.005 . 1 . . . . A 47 LEU H . 18522 1 301 . 1 1 35 35 LEU HA H 1 4.928 0.025 . 1 . . . . A 47 LEU HA . 18522 1 302 . 1 1 35 35 LEU HG H 1 1.545 0.005 . 1 . . . . A 47 LEU HG . 18522 1 303 . 1 1 35 35 LEU HD11 H 1 0.782 0.007 . . . . . . A 47 LEU HD11 . 18522 1 304 . 1 1 35 35 LEU HD12 H 1 0.782 0.007 . . . . . . A 47 LEU HD12 . 18522 1 305 . 1 1 35 35 LEU HD13 H 1 0.782 0.007 . . . . . . A 47 LEU HD13 . 18522 1 306 . 1 1 35 35 LEU HD21 H 1 0.894 0.012 . . . . . . A 47 LEU HD21 . 18522 1 307 . 1 1 35 35 LEU HD22 H 1 0.894 0.012 . . . . . . A 47 LEU HD22 . 18522 1 308 . 1 1 35 35 LEU HD23 H 1 0.894 0.012 . . . . . . A 47 LEU HD23 . 18522 1 309 . 1 1 35 35 LEU C C 13 175.076 0.000 . 1 . . . . A 47 LEU C . 18522 1 310 . 1 1 35 35 LEU CA C 13 53.278 0.032 . 1 . . . . A 47 LEU CA . 18522 1 311 . 1 1 35 35 LEU CB C 13 44.321 0.051 . 1 . . . . A 47 LEU CB . 18522 1 312 . 1 1 35 35 LEU CG C 13 27.388 0.167 . 1 . . . . A 47 LEU CG . 18522 1 313 . 1 1 35 35 LEU CD1 C 13 24.970 0.045 . 2 . . . . A 47 LEU CD1 . 18522 1 314 . 1 1 35 35 LEU N N 15 124.270 0.061 . 1 . . . . A 47 LEU N . 18522 1 315 . 1 1 36 36 TYR H H 1 8.761 0.005 . 1 . . . . A 48 TYR H . 18522 1 316 . 1 1 36 36 TYR HA H 1 5.255 0.006 . 1 . . . . A 48 TYR HA . 18522 1 317 . 1 1 36 36 TYR HB2 H 1 2.131 0.017 . 2 . . . . A 48 TYR HB2 . 18522 1 318 . 1 1 36 36 TYR HB3 H 1 2.720 0.006 . 2 . . . . A 48 TYR HB3 . 18522 1 319 . 1 1 36 36 TYR HD1 H 1 6.969 0.000 . 3 . . . . A 48 TYR HD1 . 18522 1 320 . 1 1 36 36 TYR HD2 H 1 6.969 0.000 . 3 . . . . A 48 TYR HD2 . 18522 1 321 . 1 1 36 36 TYR HE1 H 1 6.775 0.000 . 3 . . . . A 48 TYR HE1 . 18522 1 322 . 1 1 36 36 TYR HE2 H 1 6.775 0.000 . 3 . . . . A 48 TYR HE2 . 18522 1 323 . 1 1 36 36 TYR C C 13 175.766 0.000 . 1 . . . . A 48 TYR C . 18522 1 324 . 1 1 36 36 TYR CA C 13 56.696 0.044 . 1 . . . . A 48 TYR CA . 18522 1 325 . 1 1 36 36 TYR CB C 13 42.590 0.034 . 1 . . . . A 48 TYR CB . 18522 1 326 . 1 1 36 36 TYR N N 15 119.326 0.075 . 1 . . . . A 48 TYR N . 18522 1 327 . 1 1 37 37 ILE H H 1 8.959 0.007 . 1 . . . . A 49 ILE H . 18522 1 328 . 1 1 37 37 ILE HA H 1 4.215 0.007 . 1 . . . . A 49 ILE HA . 18522 1 329 . 1 1 37 37 ILE HB H 1 2.020 0.003 . 1 . . . . A 49 ILE HB . 18522 1 330 . 1 1 37 37 ILE HG12 H 1 1.755 0.012 . 2 . . . . A 49 ILE HG12 . 18522 1 331 . 1 1 37 37 ILE HG13 H 1 0.774 0.009 . 2 . . . . A 49 ILE HG13 . 18522 1 332 . 1 1 37 37 ILE HG21 H 1 0.663 0.008 . . . . . . A 49 ILE HG21 . 18522 1 333 . 1 1 37 37 ILE HG22 H 1 0.663 0.008 . . . . . . A 49 ILE HG22 . 18522 1 334 . 1 1 37 37 ILE HG23 H 1 0.663 0.008 . . . . . . A 49 ILE HG23 . 18522 1 335 . 1 1 37 37 ILE HD11 H 1 0.546 0.007 . . . . . . A 49 ILE HD11 . 18522 1 336 . 1 1 37 37 ILE HD12 H 1 0.546 0.007 . . . . . . A 49 ILE HD12 . 18522 1 337 . 1 1 37 37 ILE HD13 H 1 0.546 0.007 . . . . . . A 49 ILE HD13 . 18522 1 338 . 1 1 37 37 ILE C C 13 177.429 0.000 . 1 . . . . A 49 ILE C . 18522 1 339 . 1 1 37 37 ILE CA C 13 62.456 0.130 . 1 . . . . A 49 ILE CA . 18522 1 340 . 1 1 37 37 ILE CB C 13 37.352 0.079 . 1 . . . . A 49 ILE CB . 18522 1 341 . 1 1 37 37 ILE CD1 C 13 17.025 0.146 . 1 . . . . A 49 ILE CD1 . 18522 1 342 . 1 1 37 37 ILE N N 15 120.259 0.066 . 1 . . . . A 49 ILE N . 18522 1 343 . 1 1 38 38 VAL HA H 1 3.937 0.001 . 1 . . . . A 50 VAL HA . 18522 1 344 . 1 1 38 38 VAL HB H 1 1.994 0.016 . 1 . . . . A 50 VAL HB . 18522 1 345 . 1 1 38 38 VAL HG11 H 1 0.972 0.004 . . . . . . A 50 VAL HG11 . 18522 1 346 . 1 1 38 38 VAL HG12 H 1 0.972 0.004 . . . . . . A 50 VAL HG12 . 18522 1 347 . 1 1 38 38 VAL HG13 H 1 0.972 0.004 . . . . . . A 50 VAL HG13 . 18522 1 348 . 1 1 38 38 VAL HG21 H 1 1.109 0.004 . . . . . . A 50 VAL HG21 . 18522 1 349 . 1 1 38 38 VAL HG22 H 1 1.109 0.004 . . . . . . A 50 VAL HG22 . 18522 1 350 . 1 1 38 38 VAL HG23 H 1 1.109 0.004 . . . . . . A 50 VAL HG23 . 18522 1 351 . 1 1 38 38 VAL C C 13 174.408 0.000 . 1 . . . . A 50 VAL C . 18522 1 352 . 1 1 38 38 VAL CA C 13 62.259 0.115 . 1 . . . . A 50 VAL CA . 18522 1 353 . 1 1 38 38 VAL CB C 13 31.584 0.039 . 1 . . . . A 50 VAL CB . 18522 1 354 . 1 1 38 38 VAL CG1 C 13 22.566 0.058 . 2 . . . . A 50 VAL CG1 . 18522 1 355 . 1 1 38 38 VAL CG2 C 13 22.362 0.484 . 2 . . . . A 50 VAL CG2 . 18522 1 356 . 1 1 39 39 GLN H H 1 6.967 0.007 . 1 . . . . A 51 GLN H . 18522 1 357 . 1 1 39 39 GLN HA H 1 4.103 0.005 . 1 . . . . A 51 GLN HA . 18522 1 358 . 1 1 39 39 GLN HB2 H 1 1.527 0.003 . 2 . . . . A 51 GLN HB2 . 18522 1 359 . 1 1 39 39 GLN HB3 H 1 1.131 0.011 . 2 . . . . A 51 GLN HB3 . 18522 1 360 . 1 1 39 39 GLN HG2 H 1 1.641 0.007 . 2 . . . . A 51 GLN HG2 . 18522 1 361 . 1 1 39 39 GLN HG3 H 1 1.330 0.004 . 2 . . . . A 51 GLN HG3 . 18522 1 362 . 1 1 39 39 GLN HE21 H 1 7.252 0.003 . 2 . . . . A 51 GLN HE21 . 18522 1 363 . 1 1 39 39 GLN HE22 H 1 6.720 0.006 . 2 . . . . A 51 GLN HE22 . 18522 1 364 . 1 1 39 39 GLN C C 13 172.856 0.000 . 1 . . . . A 51 GLN C . 18522 1 365 . 1 1 39 39 GLN CA C 13 55.127 0.070 . 1 . . . . A 51 GLN CA . 18522 1 366 . 1 1 39 39 GLN CB C 13 32.376 0.129 . 1 . . . . A 51 GLN CB . 18522 1 367 . 1 1 39 39 GLN CG C 13 33.233 0.027 . 1 . . . . A 51 GLN CG . 18522 1 368 . 1 1 39 39 GLN N N 15 116.821 0.050 . 1 . . . . A 51 GLN N . 18522 1 369 . 1 1 39 39 GLN NE2 N 15 111.389 0.071 . 1 . . . . A 51 GLN NE2 . 18522 1 370 . 1 1 40 40 VAL H H 1 8.447 0.004 . 1 . . . . A 52 VAL H . 18522 1 371 . 1 1 40 40 VAL HA H 1 4.277 0.024 . 1 . . . . A 52 VAL HA . 18522 1 372 . 1 1 40 40 VAL HB H 1 1.800 0.012 . 1 . . . . A 52 VAL HB . 18522 1 373 . 1 1 40 40 VAL HG11 H 1 0.717 0.006 . . . . . . A 52 VAL HG11 . 18522 1 374 . 1 1 40 40 VAL HG12 H 1 0.717 0.006 . . . . . . A 52 VAL HG12 . 18522 1 375 . 1 1 40 40 VAL HG13 H 1 0.717 0.006 . . . . . . A 52 VAL HG13 . 18522 1 376 . 1 1 40 40 VAL HG21 H 1 0.622 0.005 . . . . . . A 52 VAL HG21 . 18522 1 377 . 1 1 40 40 VAL HG22 H 1 0.622 0.005 . . . . . . A 52 VAL HG22 . 18522 1 378 . 1 1 40 40 VAL HG23 H 1 0.622 0.005 . . . . . . A 52 VAL HG23 . 18522 1 379 . 1 1 40 40 VAL C C 13 176.198 0.000 . 1 . . . . A 52 VAL C . 18522 1 380 . 1 1 40 40 VAL CA C 13 61.574 0.080 . 1 . . . . A 52 VAL CA . 18522 1 381 . 1 1 40 40 VAL CB C 13 32.875 0.041 . 1 . . . . A 52 VAL CB . 18522 1 382 . 1 1 40 40 VAL CG1 C 13 20.449 0.056 . 2 . . . . A 52 VAL CG1 . 18522 1 383 . 1 1 40 40 VAL CG2 C 13 20.590 0.080 . 2 . . . . A 52 VAL CG2 . 18522 1 384 . 1 1 40 40 VAL N N 15 123.482 0.067 . 1 . . . . A 52 VAL N . 18522 1 385 . 1 1 41 41 PHE H H 1 8.707 0.014 . 1 . . . . A 53 PHE H . 18522 1 386 . 1 1 41 41 PHE HA H 1 4.400 0.010 . 1 . . . . A 53 PHE HA . 18522 1 387 . 1 1 41 41 PHE HB2 H 1 3.125 0.003 . 2 . . . . A 53 PHE HB2 . 18522 1 388 . 1 1 41 41 PHE HB3 H 1 2.767 0.006 . 2 . . . . A 53 PHE HB3 . 18522 1 389 . 1 1 41 41 PHE HD1 H 1 6.981 0.000 . 3 . . . . A 53 PHE HD1 . 18522 1 390 . 1 1 41 41 PHE HD2 H 1 6.981 0.000 . 3 . . . . A 53 PHE HD2 . 18522 1 391 . 1 1 41 41 PHE HE1 H 1 7.129 0.026 . 3 . . . . A 53 PHE HE1 . 18522 1 392 . 1 1 41 41 PHE HE2 H 1 7.129 0.026 . 3 . . . . A 53 PHE HE2 . 18522 1 393 . 1 1 41 41 PHE C C 13 175.299 0.000 . 1 . . . . A 53 PHE C . 18522 1 394 . 1 1 41 41 PHE CA C 13 58.494 0.237 . 1 . . . . A 53 PHE CA . 18522 1 395 . 1 1 41 41 PHE CB C 13 39.561 0.053 . 1 . . . . A 53 PHE CB . 18522 1 396 . 1 1 41 41 PHE N N 15 128.296 0.040 . 1 . . . . A 53 PHE N . 18522 1 397 . 1 1 42 42 ASP H H 1 8.901 0.005 . 1 . . . . A 54 ASP H . 18522 1 398 . 1 1 42 42 ASP HA H 1 4.272 0.002 . 1 . . . . A 54 ASP HA . 18522 1 399 . 1 1 42 42 ASP HB2 H 1 2.586 0.013 . 2 . . . . A 54 ASP HB2 . 18522 1 400 . 1 1 42 42 ASP HB3 H 1 2.598 0.005 . 2 . . . . A 54 ASP HB3 . 18522 1 401 . 1 1 42 42 ASP C C 13 176.837 0.000 . 1 . . . . A 54 ASP C . 18522 1 402 . 1 1 42 42 ASP CA C 13 55.291 0.077 . 1 . . . . A 54 ASP CA . 18522 1 403 . 1 1 42 42 ASP CB C 13 41.093 0.023 . 1 . . . . A 54 ASP CB . 18522 1 404 . 1 1 42 42 ASP N N 15 122.696 0.056 . 1 . . . . A 54 ASP N . 18522 1 405 . 1 1 43 43 ASN H H 1 9.319 0.005 . 1 . . . . A 55 ASN H . 18522 1 406 . 1 1 43 43 ASN HA H 1 4.258 0.005 . 1 . . . . A 55 ASN HA . 18522 1 407 . 1 1 43 43 ASN HB2 H 1 2.896 0.017 . 2 . . . . A 55 ASN HB2 . 18522 1 408 . 1 1 43 43 ASN HB3 H 1 3.076 0.003 . 2 . . . . A 55 ASN HB3 . 18522 1 409 . 1 1 43 43 ASN HD21 H 1 7.740 0.004 . 2 . . . . A 55 ASN HD21 . 18522 1 410 . 1 1 43 43 ASN HD22 H 1 7.001 0.009 . 2 . . . . A 55 ASN HD22 . 18522 1 411 . 1 1 43 43 ASN C C 13 173.714 0.000 . 1 . . . . A 55 ASN C . 18522 1 412 . 1 1 43 43 ASN CA C 13 54.958 0.068 . 1 . . . . A 55 ASN CA . 18522 1 413 . 1 1 43 43 ASN CB C 13 37.150 0.039 . 1 . . . . A 55 ASN CB . 18522 1 414 . 1 1 43 43 ASN N N 15 113.923 0.061 . 1 . . . . A 55 ASN N . 18522 1 415 . 1 1 43 43 ASN ND2 N 15 114.222 0.042 . 1 . . . . A 55 ASN ND2 . 18522 1 416 . 1 1 44 44 THR H H 1 7.149 0.009 . 1 . . . . A 56 THR H . 18522 1 417 . 1 1 44 44 THR HA H 1 5.377 0.004 . 1 . . . . A 56 THR HA . 18522 1 418 . 1 1 44 44 THR HB H 1 4.058 0.024 . 1 . . . . A 56 THR HB . 18522 1 419 . 1 1 44 44 THR HG1 H 1 5.031 0.019 . 1 . . . . A 56 THR HG1 . 18522 1 420 . 1 1 44 44 THR HG21 H 1 1.290 0.010 . . . . . . A 56 THR HG21 . 18522 1 421 . 1 1 44 44 THR HG22 H 1 1.290 0.010 . . . . . . A 56 THR HG22 . 18522 1 422 . 1 1 44 44 THR HG23 H 1 1.290 0.010 . . . . . . A 56 THR HG23 . 18522 1 423 . 1 1 44 44 THR CA C 13 59.712 0.000 . 1 . . . . A 56 THR CA . 18522 1 424 . 1 1 44 44 THR CB C 13 69.529 0.080 . 1 . . . . A 56 THR CB . 18522 1 425 . 1 1 44 44 THR CG2 C 13 21.918 0.053 . 1 . . . . A 56 THR CG2 . 18522 1 426 . 1 1 44 44 THR N N 15 108.020 0.033 . 1 . . . . A 56 THR N . 18522 1 427 . 1 1 45 45 PRO HA H 1 4.304 0.009 . 1 . . . . A 57 PRO HA . 18522 1 428 . 1 1 45 45 PRO HB2 H 1 2.676 0.016 . 2 . . . . A 57 PRO HB2 . 18522 1 429 . 1 1 45 45 PRO HB3 H 1 2.151 0.008 . 2 . . . . A 57 PRO HB3 . 18522 1 430 . 1 1 45 45 PRO HG2 H 1 2.112 0.011 . 2 . . . . A 57 PRO HG2 . 18522 1 431 . 1 1 45 45 PRO HG3 H 1 2.631 0.013 . 2 . . . . A 57 PRO HG3 . 18522 1 432 . 1 1 45 45 PRO HD2 H 1 4.054 0.014 . 2 . . . . A 57 PRO HD2 . 18522 1 433 . 1 1 45 45 PRO HD3 H 1 3.655 0.011 . 2 . . . . A 57 PRO HD3 . 18522 1 434 . 1 1 45 45 PRO C C 13 180.141 0.000 . 1 . . . . A 57 PRO C . 18522 1 435 . 1 1 45 45 PRO CA C 13 66.090 0.092 . 1 . . . . A 57 PRO CA . 18522 1 436 . 1 1 45 45 PRO CB C 13 33.194 0.000 . 1 . . . . A 57 PRO CB . 18522 1 437 . 1 1 45 45 PRO CG C 13 29.050 0.198 . 1 . . . . A 57 PRO CG . 18522 1 438 . 1 1 46 46 ALA H H 1 8.938 0.006 . 1 . . . . A 58 ALA H . 18522 1 439 . 1 1 46 46 ALA HA H 1 4.035 0.004 . 1 . . . . A 58 ALA HA . 18522 1 440 . 1 1 46 46 ALA HB1 H 1 1.145 0.008 . . . . . . A 58 ALA HB1 . 18522 1 441 . 1 1 46 46 ALA HB2 H 1 1.145 0.008 . . . . . . A 58 ALA HB2 . 18522 1 442 . 1 1 46 46 ALA HB3 H 1 1.145 0.008 . . . . . . A 58 ALA HB3 . 18522 1 443 . 1 1 46 46 ALA C C 13 180.647 0.000 . 1 . . . . A 58 ALA C . 18522 1 444 . 1 1 46 46 ALA CA C 13 55.195 0.035 . 1 . . . . A 58 ALA CA . 18522 1 445 . 1 1 46 46 ALA CB C 13 18.880 0.064 . 1 . . . . A 58 ALA CB . 18522 1 446 . 1 1 46 46 ALA N N 15 116.854 0.047 . 1 . . . . A 58 ALA N . 18522 1 447 . 1 1 47 47 ALA H H 1 7.658 0.006 . 1 . . . . A 59 ALA H . 18522 1 448 . 1 1 47 47 ALA HA H 1 4.030 0.003 . 1 . . . . A 59 ALA HA . 18522 1 449 . 1 1 47 47 ALA HB1 H 1 1.705 0.002 . . . . . . A 59 ALA HB1 . 18522 1 450 . 1 1 47 47 ALA HB2 H 1 1.705 0.002 . . . . . . A 59 ALA HB2 . 18522 1 451 . 1 1 47 47 ALA HB3 H 1 1.705 0.002 . . . . . . A 59 ALA HB3 . 18522 1 452 . 1 1 47 47 ALA C C 13 179.852 0.000 . 1 . . . . A 59 ALA C . 18522 1 453 . 1 1 47 47 ALA CA C 13 54.939 0.046 . 1 . . . . A 59 ALA CA . 18522 1 454 . 1 1 47 47 ALA CB C 13 19.688 0.094 . 1 . . . . A 59 ALA CB . 18522 1 455 . 1 1 47 47 ALA N N 15 123.250 0.022 . 1 . . . . A 59 ALA N . 18522 1 456 . 1 1 48 48 LEU H H 1 8.636 0.025 . 1 . . . . A 60 LEU H . 18522 1 457 . 1 1 48 48 LEU HA H 1 4.026 0.004 . 1 . . . . A 60 LEU HA . 18522 1 458 . 1 1 48 48 LEU HB2 H 1 1.580 0.007 . 2 . . . . A 60 LEU HB2 . 18522 1 459 . 1 1 48 48 LEU HB3 H 1 1.717 0.018 . 2 . . . . A 60 LEU HB3 . 18522 1 460 . 1 1 48 48 LEU HG H 1 1.703 0.008 . 1 . . . . A 60 LEU HG . 18522 1 461 . 1 1 48 48 LEU HD11 H 1 0.905 0.028 . . . . . . A 60 LEU HD11 . 18522 1 462 . 1 1 48 48 LEU HD12 H 1 0.905 0.028 . . . . . . A 60 LEU HD12 . 18522 1 463 . 1 1 48 48 LEU HD13 H 1 0.905 0.028 . . . . . . A 60 LEU HD13 . 18522 1 464 . 1 1 48 48 LEU HD21 H 1 0.830 0.016 . . . . . . A 60 LEU HD21 . 18522 1 465 . 1 1 48 48 LEU HD22 H 1 0.830 0.016 . . . . . . A 60 LEU HD22 . 18522 1 466 . 1 1 48 48 LEU HD23 H 1 0.830 0.016 . . . . . . A 60 LEU HD23 . 18522 1 467 . 1 1 48 48 LEU C C 13 179.238 0.000 . 1 . . . . A 60 LEU C . 18522 1 468 . 1 1 48 48 LEU CA C 13 57.261 0.065 . 1 . . . . A 60 LEU CA . 18522 1 469 . 1 1 48 48 LEU CB C 13 41.445 0.059 . 1 . . . . A 60 LEU CB . 18522 1 470 . 1 1 48 48 LEU CG C 13 27.592 0.044 . 1 . . . . A 60 LEU CG . 18522 1 471 . 1 1 48 48 LEU CD1 C 13 23.149 0.026 . 2 . . . . A 60 LEU CD1 . 18522 1 472 . 1 1 48 48 LEU CD2 C 13 23.725 0.213 . 2 . . . . A 60 LEU CD2 . 18522 1 473 . 1 1 48 48 LEU N N 15 118.654 0.034 . 1 . . . . A 60 LEU N . 18522 1 474 . 1 1 49 49 ASP H H 1 7.665 0.007 . 1 . . . . A 61 ASP H . 18522 1 475 . 1 1 49 49 ASP HA H 1 4.421 0.005 . 1 . . . . A 61 ASP HA . 18522 1 476 . 1 1 49 49 ASP HB2 H 1 2.716 0.003 . 2 . . . . A 61 ASP HB2 . 18522 1 477 . 1 1 49 49 ASP HB3 H 1 2.488 0.004 . 2 . . . . A 61 ASP HB3 . 18522 1 478 . 1 1 49 49 ASP C C 13 177.668 0.000 . 1 . . . . A 61 ASP C . 18522 1 479 . 1 1 49 49 ASP CA C 13 57.087 0.063 . 1 . . . . A 61 ASP CA . 18522 1 480 . 1 1 49 49 ASP CB C 13 44.478 0.098 . 1 . . . . A 61 ASP CB . 18522 1 481 . 1 1 49 49 ASP N N 15 117.382 0.053 . 1 . . . . A 61 ASP N . 18522 1 482 . 1 1 50 50 GLY H H 1 7.216 0.008 . 1 . . . . A 62 GLY H . 18522 1 483 . 1 1 50 50 GLY HA2 H 1 4.014 0.002 . 2 . . . . A 62 GLY HA2 . 18522 1 484 . 1 1 50 50 GLY HA3 H 1 3.930 0.002 . . . . . . A 62 GLY HA3 . 18522 1 485 . 1 1 50 50 GLY C C 13 174.776 0.000 . 1 . . . . A 62 GLY C . 18522 1 486 . 1 1 50 50 GLY CA C 13 46.533 0.035 . 1 . . . . A 62 GLY CA . 18522 1 487 . 1 1 50 50 GLY N N 15 103.228 0.035 . 1 . . . . A 62 GLY N . 18522 1 488 . 1 1 51 51 THR H H 1 8.319 0.008 . 1 . . . . A 63 THR H . 18522 1 489 . 1 1 51 51 THR HA H 1 3.907 0.006 . 1 . . . . A 63 THR HA . 18522 1 490 . 1 1 51 51 THR HG21 H 1 1.057 0.002 . . . . . . A 63 THR HG21 . 18522 1 491 . 1 1 51 51 THR HG22 H 1 1.057 0.002 . . . . . . A 63 THR HG22 . 18522 1 492 . 1 1 51 51 THR HG23 H 1 1.057 0.002 . . . . . . A 63 THR HG23 . 18522 1 493 . 1 1 51 51 THR C C 13 175.961 0.002 . 1 . . . . A 63 THR C . 18522 1 494 . 1 1 51 51 THR CA C 13 66.478 0.035 . 1 . . . . A 63 THR CA . 18522 1 495 . 1 1 51 51 THR CB C 13 68.268 0.063 . 1 . . . . A 63 THR CB . 18522 1 496 . 1 1 51 51 THR N N 15 117.230 0.041 . 1 . . . . A 63 THR N . 18522 1 497 . 1 1 52 52 VAL H H 1 8.147 0.005 . 1 . . . . A 64 VAL H . 18522 1 498 . 1 1 52 52 VAL HA H 1 3.950 0.004 . 1 . . . . A 64 VAL HA . 18522 1 499 . 1 1 52 52 VAL HB H 1 1.846 0.007 . 1 . . . . A 64 VAL HB . 18522 1 500 . 1 1 52 52 VAL HG11 H 1 0.280 0.005 . . . . . . A 64 VAL HG11 . 18522 1 501 . 1 1 52 52 VAL HG12 H 1 0.280 0.005 . . . . . . A 64 VAL HG12 . 18522 1 502 . 1 1 52 52 VAL HG13 H 1 0.280 0.005 . . . . . . A 64 VAL HG13 . 18522 1 503 . 1 1 52 52 VAL HG21 H 1 0.635 0.022 . . . . . . A 64 VAL HG21 . 18522 1 504 . 1 1 52 52 VAL HG22 H 1 0.635 0.022 . . . . . . A 64 VAL HG22 . 18522 1 505 . 1 1 52 52 VAL HG23 H 1 0.635 0.022 . . . . . . A 64 VAL HG23 . 18522 1 506 . 1 1 52 52 VAL C C 13 173.883 0.000 . 1 . . . . A 64 VAL C . 18522 1 507 . 1 1 52 52 VAL CA C 13 60.708 0.222 . 1 . . . . A 64 VAL CA . 18522 1 508 . 1 1 52 52 VAL CB C 13 33.079 0.015 . 1 . . . . A 64 VAL CB . 18522 1 509 . 1 1 52 52 VAL CG1 C 13 20.996 0.043 . 2 . . . . A 64 VAL CG1 . 18522 1 510 . 1 1 52 52 VAL CG2 C 13 17.189 0.191 . 2 . . . . A 64 VAL CG2 . 18522 1 511 . 1 1 52 52 VAL N N 15 113.826 0.019 . 1 . . . . A 64 VAL N . 18522 1 512 . 1 1 53 53 ALA H H 1 8.633 0.010 . 1 . . . . A 65 ALA H . 18522 1 513 . 1 1 53 53 ALA HA H 1 4.414 0.003 . 1 . . . . A 65 ALA HA . 18522 1 514 . 1 1 53 53 ALA HB1 H 1 1.241 0.004 . . . . . . A 65 ALA HB1 . 18522 1 515 . 1 1 53 53 ALA HB2 H 1 1.241 0.004 . . . . . . A 65 ALA HB2 . 18522 1 516 . 1 1 53 53 ALA HB3 H 1 1.241 0.004 . . . . . . A 65 ALA HB3 . 18522 1 517 . 1 1 53 53 ALA C C 13 175.247 0.011 . 1 . . . . A 65 ALA C . 18522 1 518 . 1 1 53 53 ALA CA C 13 50.440 0.110 . 1 . . . . A 65 ALA CA . 18522 1 519 . 1 1 53 53 ALA CB C 13 23.266 0.026 . 1 . . . . A 65 ALA CB . 18522 1 520 . 1 1 53 53 ALA N N 15 123.521 0.053 . 1 . . . . A 65 ALA N . 18522 1 521 . 1 1 54 54 ALA H H 1 8.451 0.008 . 1 . . . . A 66 ALA H . 18522 1 522 . 1 1 54 54 ALA HA H 1 3.720 0.003 . 1 . . . . A 66 ALA HA . 18522 1 523 . 1 1 54 54 ALA HB1 H 1 1.146 0.006 . . . . . . A 66 ALA HB1 . 18522 1 524 . 1 1 54 54 ALA HB2 H 1 1.146 0.006 . . . . . . A 66 ALA HB2 . 18522 1 525 . 1 1 54 54 ALA HB3 H 1 1.146 0.006 . . . . . . A 66 ALA HB3 . 18522 1 526 . 1 1 54 54 ALA C C 13 178.411 0.000 . 1 . . . . A 66 ALA C . 18522 1 527 . 1 1 54 54 ALA CA C 13 53.016 0.022 . 1 . . . . A 66 ALA CA . 18522 1 528 . 1 1 54 54 ALA CB C 13 17.840 0.058 . 1 . . . . A 66 ALA CB . 18522 1 529 . 1 1 54 54 ALA N N 15 120.818 0.051 . 1 . . . . A 66 ALA N . 18522 1 530 . 1 1 55 55 GLY H H 1 9.600 0.005 . 1 . . . . A 67 GLY H . 18522 1 531 . 1 1 55 55 GLY HA2 H 1 3.350 0.005 . 2 . . . . A 67 GLY HA2 . 18522 1 532 . 1 1 55 55 GLY HA3 H 1 4.545 0.005 . . . . . . A 67 GLY HA3 . 18522 1 533 . 1 1 55 55 GLY C C 13 173.296 0.000 . 1 . . . . A 67 GLY C . 18522 1 534 . 1 1 55 55 GLY CA C 13 45.025 0.030 . 1 . . . . A 67 GLY CA . 18522 1 535 . 1 1 55 55 GLY N N 15 112.260 0.040 . 1 . . . . A 67 GLY N . 18522 1 536 . 1 1 56 56 ASP H H 1 8.043 0.004 . 1 . . . . A 68 ASP H . 18522 1 537 . 1 1 56 56 ASP HA H 1 4.861 0.009 . 1 . . . . A 68 ASP HA . 18522 1 538 . 1 1 56 56 ASP HB2 H 1 2.484 0.006 . 2 . . . . A 68 ASP HB2 . 18522 1 539 . 1 1 56 56 ASP HB3 H 1 2.741 0.007 . 2 . . . . A 68 ASP HB3 . 18522 1 540 . 1 1 56 56 ASP C C 13 174.937 0.000 . 1 . . . . A 68 ASP C . 18522 1 541 . 1 1 56 56 ASP CA C 13 55.641 0.035 . 1 . . . . A 68 ASP CA . 18522 1 542 . 1 1 56 56 ASP CB C 13 40.696 0.073 . 1 . . . . A 68 ASP CB . 18522 1 543 . 1 1 56 56 ASP N N 15 121.293 0.069 . 1 . . . . A 68 ASP N . 18522 1 544 . 1 1 57 57 GLU H H 1 8.455 0.009 . 1 . . . . A 69 GLU H . 18522 1 545 . 1 1 57 57 GLU C C 13 177.202 0.000 . 1 . . . . A 69 GLU C . 18522 1 546 . 1 1 57 57 GLU CA C 13 54.472 0.015 . 1 . . . . A 69 GLU CA . 18522 1 547 . 1 1 57 57 GLU CB C 13 32.800 0.042 . 1 . . . . A 69 GLU CB . 18522 1 548 . 1 1 57 57 GLU N N 15 122.814 0.086 . 1 . . . . A 69 GLU N . 18522 1 549 . 1 1 58 58 ILE H H 1 8.619 0.010 . 1 . . . . A 70 ILE H . 18522 1 550 . 1 1 58 58 ILE HA H 1 4.526 0.003 . 1 . . . . A 70 ILE HA . 18522 1 551 . 1 1 58 58 ILE HB H 1 1.519 0.008 . 1 . . . . A 70 ILE HB . 18522 1 552 . 1 1 58 58 ILE HG12 H 1 1.648 0.003 . 2 . . . . A 70 ILE HG12 . 18522 1 553 . 1 1 58 58 ILE HG13 H 1 0.900 0.001 . 2 . . . . A 70 ILE HG13 . 18522 1 554 . 1 1 58 58 ILE HG21 H 1 0.797 0.020 . . . . . . A 70 ILE HG21 . 18522 1 555 . 1 1 58 58 ILE HG22 H 1 0.797 0.020 . . . . . . A 70 ILE HG22 . 18522 1 556 . 1 1 58 58 ILE HG23 H 1 0.797 0.020 . . . . . . A 70 ILE HG23 . 18522 1 557 . 1 1 58 58 ILE HD11 H 1 0.661 0.008 . . . . . . A 70 ILE HD11 . 18522 1 558 . 1 1 58 58 ILE HD12 H 1 0.661 0.008 . . . . . . A 70 ILE HD12 . 18522 1 559 . 1 1 58 58 ILE HD13 H 1 0.661 0.008 . . . . . . A 70 ILE HD13 . 18522 1 560 . 1 1 58 58 ILE C C 13 175.035 0.000 . 1 . . . . A 70 ILE C . 18522 1 561 . 1 1 58 58 ILE CA C 13 60.918 0.033 . 1 . . . . A 70 ILE CA . 18522 1 562 . 1 1 58 58 ILE CB C 13 39.236 0.048 . 1 . . . . A 70 ILE CB . 18522 1 563 . 1 1 58 58 ILE CD1 C 13 13.139 0.234 . 1 . . . . A 70 ILE CD1 . 18522 1 564 . 1 1 58 58 ILE N N 15 125.862 0.095 . 1 . . . . A 70 ILE N . 18522 1 565 . 1 1 59 59 THR H H 1 9.242 0.005 . 1 . . . . A 71 THR H . 18522 1 566 . 1 1 59 59 THR HA H 1 4.513 0.002 . 1 . . . . A 71 THR HA . 18522 1 567 . 1 1 59 59 THR HB H 1 4.258 0.002 . 1 . . . . A 71 THR HB . 18522 1 568 . 1 1 59 59 THR HG21 H 1 0.915 0.014 . . . . . . A 71 THR HG21 . 18522 1 569 . 1 1 59 59 THR HG22 H 1 0.915 0.014 . . . . . . A 71 THR HG22 . 18522 1 570 . 1 1 59 59 THR HG23 H 1 0.915 0.014 . . . . . . A 71 THR HG23 . 18522 1 571 . 1 1 59 59 THR C C 13 176.425 0.000 . 1 . . . . A 71 THR C . 18522 1 572 . 1 1 59 59 THR CA C 13 61.158 0.122 . 1 . . . . A 71 THR CA . 18522 1 573 . 1 1 59 59 THR CB C 13 69.604 0.058 . 1 . . . . A 71 THR CB . 18522 1 574 . 1 1 59 59 THR N N 15 115.507 0.057 . 1 . . . . A 71 THR N . 18522 1 575 . 1 1 60 60 GLY H H 1 7.883 0.005 . 1 . . . . A 72 GLY H . 18522 1 576 . 1 1 60 60 GLY HA2 H 1 4.652 0.004 . 2 . . . . A 72 GLY HA2 . 18522 1 577 . 1 1 60 60 GLY HA3 H 1 3.614 0.008 . . . . . . A 72 GLY HA3 . 18522 1 578 . 1 1 60 60 GLY C C 13 170.981 0.000 . 1 . . . . A 72 GLY C . 18522 1 579 . 1 1 60 60 GLY CA C 13 46.554 0.016 . 1 . . . . A 72 GLY CA . 18522 1 580 . 1 1 60 60 GLY N N 15 111.789 0.027 . 1 . . . . A 72 GLY N . 18522 1 581 . 1 1 61 61 VAL H H 1 8.424 0.006 . 1 . . . . A 73 VAL H . 18522 1 582 . 1 1 61 61 VAL HB H 1 1.867 0.003 . 1 . . . . A 73 VAL HB . 18522 1 583 . 1 1 61 61 VAL HG11 H 1 0.801 0.017 . . . . . . A 73 VAL HG11 . 18522 1 584 . 1 1 61 61 VAL HG12 H 1 0.801 0.017 . . . . . . A 73 VAL HG12 . 18522 1 585 . 1 1 61 61 VAL HG13 H 1 0.801 0.017 . . . . . . A 73 VAL HG13 . 18522 1 586 . 1 1 61 61 VAL HG21 H 1 0.777 0.007 . . . . . . A 73 VAL HG21 . 18522 1 587 . 1 1 61 61 VAL HG22 H 1 0.777 0.007 . . . . . . A 73 VAL HG22 . 18522 1 588 . 1 1 61 61 VAL HG23 H 1 0.777 0.007 . . . . . . A 73 VAL HG23 . 18522 1 589 . 1 1 61 61 VAL C C 13 175.951 0.000 . 1 . . . . A 73 VAL C . 18522 1 590 . 1 1 61 61 VAL CA C 13 60.982 0.036 . 1 . . . . A 73 VAL CA . 18522 1 591 . 1 1 61 61 VAL CB C 13 36.197 0.077 . 1 . . . . A 73 VAL CB . 18522 1 592 . 1 1 61 61 VAL CG1 C 13 21.052 0.109 . 2 . . . . A 73 VAL CG1 . 18522 1 593 . 1 1 61 61 VAL CG2 C 13 20.904 0.037 . 2 . . . . A 73 VAL CG2 . 18522 1 594 . 1 1 61 61 VAL N N 15 119.277 0.034 . 1 . . . . A 73 VAL N . 18522 1 595 . 1 1 62 62 ASN H H 1 10.384 0.003 . 1 . . . . A 74 ASN H . 18522 1 596 . 1 1 62 62 ASN HA H 1 4.520 0.010 . 1 . . . . A 74 ASN HA . 18522 1 597 . 1 1 62 62 ASN HB2 H 1 3.318 0.004 . 2 . . . . A 74 ASN HB2 . 18522 1 598 . 1 1 62 62 ASN HB3 H 1 2.788 0.007 . 2 . . . . A 74 ASN HB3 . 18522 1 599 . 1 1 62 62 ASN HD21 H 1 6.711 0.000 . 2 . . . . A 74 ASN HD21 . 18522 1 600 . 1 1 62 62 ASN HD22 H 1 7.938 0.005 . 2 . . . . A 74 ASN HD22 . 18522 1 601 . 1 1 62 62 ASN C C 13 174.878 0.000 . 1 . . . . A 74 ASN C . 18522 1 602 . 1 1 62 62 ASN CA C 13 54.418 0.122 . 1 . . . . A 74 ASN CA . 18522 1 603 . 1 1 62 62 ASN CB C 13 36.655 0.059 . 1 . . . . A 74 ASN CB . 18522 1 604 . 1 1 62 62 ASN N N 15 127.731 0.051 . 1 . . . . A 74 ASN N . 18522 1 605 . 1 1 62 62 ASN ND2 N 15 110.665 0.127 . 1 . . . . A 74 ASN ND2 . 18522 1 606 . 1 1 63 63 GLY H H 1 8.926 0.012 . 1 . . . . A 75 GLY H . 18522 1 607 . 1 1 63 63 GLY HA2 H 1 4.056 0.012 . 2 . . . . A 75 GLY HA2 . 18522 1 608 . 1 1 63 63 GLY HA3 H 1 3.389 0.002 . . . . . . A 75 GLY HA3 . 18522 1 609 . 1 1 63 63 GLY C C 13 173.610 0.000 . 1 . . . . A 75 GLY C . 18522 1 610 . 1 1 63 63 GLY CA C 13 45.261 0.090 . 1 . . . . A 75 GLY CA . 18522 1 611 . 1 1 63 63 GLY N N 15 104.633 0.062 . 1 . . . . A 75 GLY N . 18522 1 612 . 1 1 64 64 ARG H H 1 7.753 0.008 . 1 . . . . A 76 ARG H . 18522 1 613 . 1 1 64 64 ARG HA H 1 4.501 0.010 . 1 . . . . A 76 ARG HA . 18522 1 614 . 1 1 64 64 ARG HB2 H 1 1.778 0.005 . 2 . . . . A 76 ARG HB2 . 18522 1 615 . 1 1 64 64 ARG HG2 H 1 1.662 0.009 . 2 . . . . A 76 ARG HG2 . 18522 1 616 . 1 1 64 64 ARG HG3 H 1 1.587 0.005 . 2 . . . . A 76 ARG HG3 . 18522 1 617 . 1 1 64 64 ARG HD2 H 1 3.200 0.003 . 2 . . . . A 76 ARG HD2 . 18522 1 618 . 1 1 64 64 ARG C C 13 175.085 0.000 . 1 . . . . A 76 ARG C . 18522 1 619 . 1 1 64 64 ARG CA C 13 54.252 0.165 . 1 . . . . A 76 ARG CA . 18522 1 620 . 1 1 64 64 ARG CB C 13 31.482 0.065 . 1 . . . . A 76 ARG CB . 18522 1 621 . 1 1 64 64 ARG CG C 13 26.645 0.028 . 1 . . . . A 76 ARG CG . 18522 1 622 . 1 1 64 64 ARG CD C 13 43.543 0.015 . 1 . . . . A 76 ARG CD . 18522 1 623 . 1 1 64 64 ARG N N 15 120.451 0.038 . 1 . . . . A 76 ARG N . 18522 1 624 . 1 1 65 65 SER H H 1 8.555 0.006 . 1 . . . . A 77 SER H . 18522 1 625 . 1 1 65 65 SER HA H 1 4.483 0.004 . 1 . . . . A 77 SER HA . 18522 1 626 . 1 1 65 65 SER HB2 H 1 4.050 0.012 . 2 . . . . A 77 SER HB2 . 18522 1 627 . 1 1 65 65 SER HB3 H 1 3.761 0.036 . 2 . . . . A 77 SER HB3 . 18522 1 628 . 1 1 65 65 SER C C 13 176.953 0.000 . 1 . . . . A 77 SER C . 18522 1 629 . 1 1 65 65 SER CA C 13 58.292 0.061 . 1 . . . . A 77 SER CA . 18522 1 630 . 1 1 65 65 SER CB C 13 63.643 0.146 . 1 . . . . A 77 SER CB . 18522 1 631 . 1 1 65 65 SER N N 15 116.586 0.104 . 1 . . . . A 77 SER N . 18522 1 632 . 1 1 66 66 ILE H H 1 7.599 0.015 . 1 . . . . A 78 ILE H . 18522 1 633 . 1 1 66 66 ILE HA H 1 4.420 0.006 . 1 . . . . A 78 ILE HA . 18522 1 634 . 1 1 66 66 ILE HB H 1 2.274 0.005 . 1 . . . . A 78 ILE HB . 18522 1 635 . 1 1 66 66 ILE HG12 H 1 0.907 0.010 . 2 . . . . A 78 ILE HG12 . 18522 1 636 . 1 1 66 66 ILE HG13 H 1 0.861 0.043 . 2 . . . . A 78 ILE HG13 . 18522 1 637 . 1 1 66 66 ILE HG21 H 1 0.795 0.007 . . . . . . A 78 ILE HG21 . 18522 1 638 . 1 1 66 66 ILE HG22 H 1 0.795 0.007 . . . . . . A 78 ILE HG22 . 18522 1 639 . 1 1 66 66 ILE HG23 H 1 0.795 0.007 . . . . . . A 78 ILE HG23 . 18522 1 640 . 1 1 66 66 ILE HD11 H 1 0.790 0.007 . . . . . . A 78 ILE HD11 . 18522 1 641 . 1 1 66 66 ILE HD12 H 1 0.790 0.007 . . . . . . A 78 ILE HD12 . 18522 1 642 . 1 1 66 66 ILE HD13 H 1 0.790 0.007 . . . . . . A 78 ILE HD13 . 18522 1 643 . 1 1 66 66 ILE C C 13 175.072 0.000 . 1 . . . . A 78 ILE C . 18522 1 644 . 1 1 66 66 ILE CA C 13 59.122 0.103 . 1 . . . . A 78 ILE CA . 18522 1 645 . 1 1 66 66 ILE CB C 13 36.758 0.027 . 1 . . . . A 78 ILE CB . 18522 1 646 . 1 1 66 66 ILE CG1 C 13 27.251 0.199 . 1 . . . . A 78 ILE CG1 . 18522 1 647 . 1 1 66 66 ILE CG2 C 13 21.291 0.147 . 1 . . . . A 78 ILE CG2 . 18522 1 648 . 1 1 66 66 ILE CD1 C 13 15.031 0.010 . 1 . . . . A 78 ILE CD1 . 18522 1 649 . 1 1 66 66 ILE N N 15 116.618 0.061 . 1 . . . . A 78 ILE N . 18522 1 650 . 1 1 67 67 LYS H H 1 7.898 0.004 . 1 . . . . A 79 LYS H . 18522 1 651 . 1 1 67 67 LYS HA H 1 4.049 0.002 . 1 . . . . A 79 LYS HA . 18522 1 652 . 1 1 67 67 LYS HB2 H 1 1.676 0.007 . 2 . . . . A 79 LYS HB2 . 18522 1 653 . 1 1 67 67 LYS HB3 H 1 1.754 0.006 . 2 . . . . A 79 LYS HB3 . 18522 1 654 . 1 1 67 67 LYS HG2 H 1 1.454 0.009 . 2 . . . . A 79 LYS HG2 . 18522 1 655 . 1 1 67 67 LYS C C 13 178.333 0.000 . 1 . . . . A 79 LYS C . 18522 1 656 . 1 1 67 67 LYS CA C 13 58.321 0.156 . 1 . . . . A 79 LYS CA . 18522 1 657 . 1 1 67 67 LYS CB C 13 31.635 0.061 . 1 . . . . A 79 LYS CB . 18522 1 658 . 1 1 67 67 LYS N N 15 123.287 0.043 . 1 . . . . A 79 LYS N . 18522 1 659 . 1 1 68 68 GLY H H 1 8.999 0.005 . 1 . . . . A 80 GLY H . 18522 1 660 . 1 1 68 68 GLY HA2 H 1 4.156 0.004 . 2 . . . . A 80 GLY HA2 . 18522 1 661 . 1 1 68 68 GLY HA3 H 1 3.700 0.006 . . . . . . A 80 GLY HA3 . 18522 1 662 . 1 1 68 68 GLY C C 13 174.385 0.000 . 1 . . . . A 80 GLY C . 18522 1 663 . 1 1 68 68 GLY CA C 13 45.518 0.029 . 1 . . . . A 80 GLY CA . 18522 1 664 . 1 1 68 68 GLY N N 15 114.933 0.106 . 1 . . . . A 80 GLY N . 18522 1 665 . 1 1 69 69 LYS H H 1 7.845 0.006 . 1 . . . . A 81 LYS H . 18522 1 666 . 1 1 69 69 LYS HA H 1 4.043 0.000 . 1 . . . . A 81 LYS HA . 18522 1 667 . 1 1 69 69 LYS HB2 H 1 1.912 0.004 . 2 . . . . A 81 LYS HB2 . 18522 1 668 . 1 1 69 69 LYS HB3 H 1 1.786 0.005 . 2 . . . . A 81 LYS HB3 . 18522 1 669 . 1 1 69 69 LYS HG2 H 1 1.576 0.000 . 2 . . . . A 81 LYS HG2 . 18522 1 670 . 1 1 69 69 LYS HD2 H 1 1.199 0.043 . 2 . . . . A 81 LYS HD2 . 18522 1 671 . 1 1 69 69 LYS HD3 H 1 1.394 0.012 . 2 . . . . A 81 LYS HD3 . 18522 1 672 . 1 1 69 69 LYS C C 13 177.064 0.000 . 1 . . . . A 81 LYS C . 18522 1 673 . 1 1 69 69 LYS CA C 13 54.722 0.004 . 1 . . . . A 81 LYS CA . 18522 1 674 . 1 1 69 69 LYS CB C 13 33.560 0.178 . 1 . . . . A 81 LYS CB . 18522 1 675 . 1 1 69 69 LYS N N 15 119.403 0.043 . 1 . . . . A 81 LYS N . 18522 1 676 . 1 1 70 70 THR H H 1 9.153 0.006 . 1 . . . . A 82 THR H . 18522 1 677 . 1 1 70 70 THR HA H 1 4.666 0.015 . 1 . . . . A 82 THR HA . 18522 1 678 . 1 1 70 70 THR C C 13 175.955 0.000 . 1 . . . . A 82 THR C . 18522 1 679 . 1 1 70 70 THR CA C 13 60.438 0.035 . 1 . . . . A 82 THR CA . 18522 1 680 . 1 1 70 70 THR CB C 13 71.629 0.024 . 1 . . . . A 82 THR CB . 18522 1 681 . 1 1 70 70 THR N N 15 112.066 0.082 . 1 . . . . A 82 THR N . 18522 1 682 . 1 1 71 71 LYS H H 1 8.969 0.009 . 1 . . . . A 83 LYS H . 18522 1 683 . 1 1 71 71 LYS HA H 1 3.870 0.011 . 1 . . . . A 83 LYS HA . 18522 1 684 . 1 1 71 71 LYS HB2 H 1 1.950 0.016 . 2 . . . . A 83 LYS HB2 . 18522 1 685 . 1 1 71 71 LYS HB3 H 1 1.781 0.010 . 2 . . . . A 83 LYS HB3 . 18522 1 686 . 1 1 71 71 LYS HG2 H 1 1.377 0.006 . 2 . . . . A 83 LYS HG2 . 18522 1 687 . 1 1 71 71 LYS HG3 H 1 1.450 0.006 . 2 . . . . A 83 LYS HG3 . 18522 1 688 . 1 1 71 71 LYS HD2 H 1 1.551 0.014 . 2 . . . . A 83 LYS HD2 . 18522 1 689 . 1 1 71 71 LYS HD3 H 1 1.576 0.009 . 2 . . . . A 83 LYS HD3 . 18522 1 690 . 1 1 71 71 LYS HE2 H 1 2.966 0.003 . 2 . . . . A 83 LYS HE2 . 18522 1 691 . 1 1 71 71 LYS HE3 H 1 2.965 0.003 . 2 . . . . A 83 LYS HE3 . 18522 1 692 . 1 1 71 71 LYS HZ1 H 1 7.633 0.000 . 1 . . . . A 83 LYS HZ1 . 18522 1 693 . 1 1 71 71 LYS HZ2 H 1 7.633 0.000 . 1 . . . . A 83 LYS HZ2 . 18522 1 694 . 1 1 71 71 LYS HZ3 H 1 7.633 0.000 . 1 . . . . A 83 LYS HZ3 . 18522 1 695 . 1 1 71 71 LYS C C 13 177.464 0.000 . 1 . . . . A 83 LYS C . 18522 1 696 . 1 1 71 71 LYS CA C 13 60.357 0.046 . 1 . . . . A 83 LYS CA . 18522 1 697 . 1 1 71 71 LYS CB C 13 31.350 0.115 . 1 . . . . A 83 LYS CB . 18522 1 698 . 1 1 71 71 LYS CD C 13 29.165 0.000 . 1 . . . . A 83 LYS CD . 18522 1 699 . 1 1 71 71 LYS CE C 13 42.133 0.000 . 1 . . . . A 83 LYS CE . 18522 1 700 . 1 1 71 71 LYS N N 15 118.730 0.040 . 1 . . . . A 83 LYS N . 18522 1 701 . 1 1 72 72 VAL H H 1 7.631 0.010 . 1 . . . . A 84 VAL H . 18522 1 702 . 1 1 72 72 VAL HA H 1 3.633 0.003 . 1 . . . . A 84 VAL HA . 18522 1 703 . 1 1 72 72 VAL HB H 1 1.987 0.005 . 1 . . . . A 84 VAL HB . 18522 1 704 . 1 1 72 72 VAL HG11 H 1 0.964 0.024 . . . . . . A 84 VAL HG11 . 18522 1 705 . 1 1 72 72 VAL HG12 H 1 0.964 0.024 . . . . . . A 84 VAL HG12 . 18522 1 706 . 1 1 72 72 VAL HG13 H 1 0.964 0.024 . . . . . . A 84 VAL HG13 . 18522 1 707 . 1 1 72 72 VAL HG21 H 1 1.112 0.003 . . . . . . A 84 VAL HG21 . 18522 1 708 . 1 1 72 72 VAL HG22 H 1 1.112 0.003 . . . . . . A 84 VAL HG22 . 18522 1 709 . 1 1 72 72 VAL HG23 H 1 1.112 0.003 . . . . . . A 84 VAL HG23 . 18522 1 710 . 1 1 72 72 VAL C C 13 178.315 0.000 . 1 . . . . A 84 VAL C . 18522 1 711 . 1 1 72 72 VAL CA C 13 66.079 0.070 . 1 . . . . A 84 VAL CA . 18522 1 712 . 1 1 72 72 VAL CB C 13 32.091 0.067 . 1 . . . . A 84 VAL CB . 18522 1 713 . 1 1 72 72 VAL CG1 C 13 21.046 0.087 . 2 . . . . A 84 VAL CG1 . 18522 1 714 . 1 1 72 72 VAL CG2 C 13 22.888 0.034 . 2 . . . . A 84 VAL CG2 . 18522 1 715 . 1 1 72 72 VAL N N 15 117.444 0.062 . 1 . . . . A 84 VAL N . 18522 1 716 . 1 1 73 73 GLU H H 1 7.617 0.010 . 1 . . . . A 85 GLU H . 18522 1 717 . 1 1 73 73 GLU HA H 1 3.964 0.024 . 1 . . . . A 85 GLU HA . 18522 1 718 . 1 1 73 73 GLU HB2 H 1 1.885 0.038 . 2 . . . . A 85 GLU HB2 . 18522 1 719 . 1 1 73 73 GLU HB3 H 1 2.441 0.028 . 2 . . . . A 85 GLU HB3 . 18522 1 720 . 1 1 73 73 GLU HG2 H 1 2.422 0.006 . 2 . . . . A 85 GLU HG2 . 18522 1 721 . 1 1 73 73 GLU HG3 H 1 2.249 0.005 . 2 . . . . A 85 GLU HG3 . 18522 1 722 . 1 1 73 73 GLU C C 13 179.971 0.000 . 1 . . . . A 85 GLU C . 18522 1 723 . 1 1 73 73 GLU CA C 13 59.316 0.064 . 1 . . . . A 85 GLU CA . 18522 1 724 . 1 1 73 73 GLU CB C 13 30.355 0.059 . 1 . . . . A 85 GLU CB . 18522 1 725 . 1 1 73 73 GLU CG C 13 37.702 0.095 . 1 . . . . A 85 GLU CG . 18522 1 726 . 1 1 73 73 GLU N N 15 120.890 0.019 . 1 . . . . A 85 GLU N . 18522 1 727 . 1 1 74 74 VAL H H 1 8.368 0.008 . 1 . . . . A 86 VAL H . 18522 1 728 . 1 1 74 74 VAL HA H 1 3.630 0.007 . 1 . . . . A 86 VAL HA . 18522 1 729 . 1 1 74 74 VAL HB H 1 1.962 0.012 . 1 . . . . A 86 VAL HB . 18522 1 730 . 1 1 74 74 VAL HG11 H 1 0.794 0.006 . . . . . . A 86 VAL HG11 . 18522 1 731 . 1 1 74 74 VAL HG12 H 1 0.794 0.006 . . . . . . A 86 VAL HG12 . 18522 1 732 . 1 1 74 74 VAL HG13 H 1 0.794 0.006 . . . . . . A 86 VAL HG13 . 18522 1 733 . 1 1 74 74 VAL HG21 H 1 0.984 0.011 . . . . . . A 86 VAL HG21 . 18522 1 734 . 1 1 74 74 VAL HG22 H 1 0.984 0.011 . . . . . . A 86 VAL HG22 . 18522 1 735 . 1 1 74 74 VAL HG23 H 1 0.984 0.011 . . . . . . A 86 VAL HG23 . 18522 1 736 . 1 1 74 74 VAL C C 13 177.217 0.000 . 1 . . . . A 86 VAL C . 18522 1 737 . 1 1 74 74 VAL CA C 13 66.678 0.231 . 1 . . . . A 86 VAL CA . 18522 1 738 . 1 1 74 74 VAL CB C 13 31.307 0.043 . 1 . . . . A 86 VAL CB . 18522 1 739 . 1 1 74 74 VAL CG2 C 13 20.973 0.042 . 2 . . . . A 86 VAL CG2 . 18522 1 740 . 1 1 74 74 VAL N N 15 121.246 0.092 . 1 . . . . A 86 VAL N . 18522 1 741 . 1 1 75 75 ALA H H 1 8.577 0.006 . 1 . . . . A 87 ALA H . 18522 1 742 . 1 1 75 75 ALA HA H 1 3.947 0.009 . 1 . . . . A 87 ALA HA . 18522 1 743 . 1 1 75 75 ALA HB1 H 1 1.452 0.005 . . . . . . A 87 ALA HB1 . 18522 1 744 . 1 1 75 75 ALA HB2 H 1 1.452 0.005 . . . . . . A 87 ALA HB2 . 18522 1 745 . 1 1 75 75 ALA HB3 H 1 1.452 0.005 . . . . . . A 87 ALA HB3 . 18522 1 746 . 1 1 75 75 ALA C C 13 179.545 0.000 . 1 . . . . A 87 ALA C . 18522 1 747 . 1 1 75 75 ALA CA C 13 55.851 0.101 . 1 . . . . A 87 ALA CA . 18522 1 748 . 1 1 75 75 ALA CB C 13 18.491 0.060 . 1 . . . . A 87 ALA CB . 18522 1 749 . 1 1 75 75 ALA N N 15 122.148 0.104 . 1 . . . . A 87 ALA N . 18522 1 750 . 1 1 76 76 LYS H H 1 7.854 0.010 . 1 . . . . A 88 LYS H . 18522 1 751 . 1 1 76 76 LYS HA H 1 4.051 0.004 . 1 . . . . A 88 LYS HA . 18522 1 752 . 1 1 76 76 LYS HB2 H 1 1.875 0.043 . 2 . . . . A 88 LYS HB2 . 18522 1 753 . 1 1 76 76 LYS HB3 H 1 1.922 0.026 . 2 . . . . A 88 LYS HB3 . 18522 1 754 . 1 1 76 76 LYS HG2 H 1 1.537 0.004 . 2 . . . . A 88 LYS HG2 . 18522 1 755 . 1 1 76 76 LYS HG3 H 1 1.434 0.009 . 2 . . . . A 88 LYS HG3 . 18522 1 756 . 1 1 76 76 LYS HD2 H 1 1.677 0.006 . 2 . . . . A 88 LYS HD2 . 18522 1 757 . 1 1 76 76 LYS HE2 H 1 2.976 0.008 . 2 . . . . A 88 LYS HE2 . 18522 1 758 . 1 1 76 76 LYS CA C 13 59.393 0.093 . 1 . . . . A 88 LYS CA . 18522 1 759 . 1 1 76 76 LYS CB C 13 32.058 0.080 . 1 . . . . A 88 LYS CB . 18522 1 760 . 1 1 76 76 LYS CG C 13 24.828 0.138 . 1 . . . . A 88 LYS CG . 18522 1 761 . 1 1 76 76 LYS CD C 13 29.018 0.143 . 1 . . . . A 88 LYS CD . 18522 1 762 . 1 1 76 76 LYS N N 15 117.733 0.056 . 1 . . . . A 88 LYS N . 18522 1 763 . 1 1 77 77 MET H H 1 7.759 0.012 . 1 . . . . A 89 MET H . 18522 1 764 . 1 1 77 77 MET HA H 1 4.048 0.004 . 1 . . . . A 89 MET HA . 18522 1 765 . 1 1 77 77 MET HB2 H 1 2.117 0.004 . 2 . . . . A 89 MET HB2 . 18522 1 766 . 1 1 77 77 MET HB3 H 1 2.356 0.032 . 2 . . . . A 89 MET HB3 . 18522 1 767 . 1 1 77 77 MET HG2 H 1 2.495 0.005 . 2 . . . . A 89 MET HG2 . 18522 1 768 . 1 1 77 77 MET HG3 H 1 2.803 0.003 . 2 . . . . A 89 MET HG3 . 18522 1 769 . 1 1 77 77 MET C C 13 178.791 0.000 . 1 . . . . A 89 MET C . 18522 1 770 . 1 1 77 77 MET CA C 13 59.128 0.093 . 1 . . . . A 89 MET CA . 18522 1 771 . 1 1 77 77 MET CB C 13 33.801 0.091 . 1 . . . . A 89 MET CB . 18522 1 772 . 1 1 77 77 MET CG C 13 31.822 0.093 . 1 . . . . A 89 MET CG . 18522 1 773 . 1 1 77 77 MET N N 15 117.676 0.097 . 1 . . . . A 89 MET N . 18522 1 774 . 1 1 78 78 ILE H H 1 7.972 0.008 . 1 . . . . A 90 ILE H . 18522 1 775 . 1 1 78 78 ILE HA H 1 3.590 0.013 . 1 . . . . A 90 ILE HA . 18522 1 776 . 1 1 78 78 ILE HB H 1 1.950 0.019 . 1 . . . . A 90 ILE HB . 18522 1 777 . 1 1 78 78 ILE HG13 H 1 0.762 0.004 . 2 . . . . A 90 ILE HG13 . 18522 1 778 . 1 1 78 78 ILE HG21 H 1 1.014 0.010 . . . . . . A 90 ILE HG21 . 18522 1 779 . 1 1 78 78 ILE HG22 H 1 1.014 0.010 . . . . . . A 90 ILE HG22 . 18522 1 780 . 1 1 78 78 ILE HG23 H 1 1.014 0.010 . . . . . . A 90 ILE HG23 . 18522 1 781 . 1 1 78 78 ILE C C 13 178.658 0.000 . 1 . . . . A 90 ILE C . 18522 1 782 . 1 1 78 78 ILE CA C 13 65.482 0.048 . 1 . . . . A 90 ILE CA . 18522 1 783 . 1 1 78 78 ILE CB C 13 38.845 0.051 . 1 . . . . A 90 ILE CB . 18522 1 784 . 1 1 78 78 ILE CG1 C 13 30.559 0.043 . 1 . . . . A 90 ILE CG1 . 18522 1 785 . 1 1 78 78 ILE CG2 C 13 17.314 0.062 . 1 . . . . A 90 ILE CG2 . 18522 1 786 . 1 1 78 78 ILE N N 15 117.305 0.085 . 1 . . . . A 90 ILE N . 18522 1 787 . 1 1 79 79 GLN H H 1 8.826 0.005 . 1 . . . . A 91 GLN H . 18522 1 788 . 1 1 79 79 GLN HA H 1 3.998 0.010 . 1 . . . . A 91 GLN HA . 18522 1 789 . 1 1 79 79 GLN HB2 H 1 2.358 0.005 . 2 . . . . A 91 GLN HB2 . 18522 1 790 . 1 1 79 79 GLN HB3 H 1 2.138 0.005 . 2 . . . . A 91 GLN HB3 . 18522 1 791 . 1 1 79 79 GLN HG2 H 1 2.715 0.007 . 2 . . . . A 91 GLN HG2 . 18522 1 792 . 1 1 79 79 GLN HG3 H 1 2.518 0.007 . 2 . . . . A 91 GLN HG3 . 18522 1 793 . 1 1 79 79 GLN C C 13 178.274 0.000 . 1 . . . . A 91 GLN C . 18522 1 794 . 1 1 79 79 GLN CA C 13 59.151 0.036 . 1 . . . . A 91 GLN CA . 18522 1 795 . 1 1 79 79 GLN CB C 13 28.934 0.083 . 1 . . . . A 91 GLN CB . 18522 1 796 . 1 1 79 79 GLN CG C 13 34.132 0.082 . 1 . . . . A 91 GLN CG . 18522 1 797 . 1 1 79 79 GLN N N 15 120.935 0.051 . 1 . . . . A 91 GLN N . 18522 1 798 . 1 1 80 80 GLU H H 1 8.020 0.006 . 1 . . . . A 92 GLU H . 18522 1 799 . 1 1 80 80 GLU HA H 1 4.061 0.007 . 1 . . . . A 92 GLU HA . 18522 1 800 . 1 1 80 80 GLU HB2 H 1 2.092 0.003 . 2 . . . . A 92 GLU HB2 . 18522 1 801 . 1 1 80 80 GLU HB3 H 1 2.184 0.001 . 2 . . . . A 92 GLU HB3 . 18522 1 802 . 1 1 80 80 GLU HG2 H 1 2.409 0.013 . 2 . . . . A 92 GLU HG2 . 18522 1 803 . 1 1 80 80 GLU C C 13 176.824 0.000 . 1 . . . . A 92 GLU C . 18522 1 804 . 1 1 80 80 GLU CA C 13 58.006 0.098 . 1 . . . . A 92 GLU CA . 18522 1 805 . 1 1 80 80 GLU CB C 13 29.890 0.023 . 1 . . . . A 92 GLU CB . 18522 1 806 . 1 1 80 80 GLU CG C 13 36.379 0.155 . 1 . . . . A 92 GLU CG . 18522 1 807 . 1 1 80 80 GLU N N 15 115.213 0.035 . 1 . . . . A 92 GLU N . 18522 1 808 . 1 1 81 81 VAL H H 1 7.073 0.006 . 1 . . . . A 93 VAL H . 18522 1 809 . 1 1 81 81 VAL HA H 1 3.930 0.005 . 1 . . . . A 93 VAL HA . 18522 1 810 . 1 1 81 81 VAL HB H 1 1.987 0.003 . 1 . . . . A 93 VAL HB . 18522 1 811 . 1 1 81 81 VAL HG11 H 1 1.119 0.012 . . . . . . A 93 VAL HG11 . 18522 1 812 . 1 1 81 81 VAL HG12 H 1 1.119 0.012 . . . . . . A 93 VAL HG12 . 18522 1 813 . 1 1 81 81 VAL HG13 H 1 1.119 0.012 . . . . . . A 93 VAL HG13 . 18522 1 814 . 1 1 81 81 VAL HG21 H 1 0.986 0.019 . . . . . . A 93 VAL HG21 . 18522 1 815 . 1 1 81 81 VAL HG22 H 1 0.986 0.019 . . . . . . A 93 VAL HG22 . 18522 1 816 . 1 1 81 81 VAL HG23 H 1 0.986 0.019 . . . . . . A 93 VAL HG23 . 18522 1 817 . 1 1 81 81 VAL C C 13 176.016 0.000 . 1 . . . . A 93 VAL C . 18522 1 818 . 1 1 81 81 VAL CA C 13 63.153 0.071 . 1 . . . . A 93 VAL CA . 18522 1 819 . 1 1 81 81 VAL CB C 13 32.154 0.048 . 1 . . . . A 93 VAL CB . 18522 1 820 . 1 1 81 81 VAL CG1 C 13 21.681 0.054 . 2 . . . . A 93 VAL CG1 . 18522 1 821 . 1 1 81 81 VAL CG2 C 13 22.607 0.055 . 2 . . . . A 93 VAL CG2 . 18522 1 822 . 1 1 81 81 VAL N N 15 119.047 0.037 . 1 . . . . A 93 VAL N . 18522 1 823 . 1 1 82 82 LYS H H 1 8.762 0.005 . 1 . . . . A 94 LYS H . 18522 1 824 . 1 1 82 82 LYS C C 13 177.460 0.017 . 1 . . . . A 94 LYS C . 18522 1 825 . 1 1 82 82 LYS CA C 13 55.753 0.022 . 1 . . . . A 94 LYS CA . 18522 1 826 . 1 1 82 82 LYS CB C 13 32.332 0.019 . 1 . . . . A 94 LYS CB . 18522 1 827 . 1 1 82 82 LYS N N 15 128.366 0.045 . 1 . . . . A 94 LYS N . 18522 1 828 . 1 1 83 83 GLY H H 1 8.673 0.006 . 1 . . . . A 95 GLY H . 18522 1 829 . 1 1 83 83 GLY HA2 H 1 3.718 0.003 . 2 . . . . A 95 GLY HA2 . 18522 1 830 . 1 1 83 83 GLY HA3 H 1 4.248 0.002 . . . . . . A 95 GLY HA3 . 18522 1 831 . 1 1 83 83 GLY C C 13 173.468 0.000 . 1 . . . . A 95 GLY C . 18522 1 832 . 1 1 83 83 GLY CA C 13 46.243 0.046 . 1 . . . . A 95 GLY CA . 18522 1 833 . 1 1 83 83 GLY N N 15 112.528 0.044 . 1 . . . . A 95 GLY N . 18522 1 834 . 1 1 84 84 GLU H H 1 8.297 0.005 . 1 . . . . A 96 GLU H . 18522 1 835 . 1 1 84 84 GLU HA H 1 4.749 0.004 . 1 . . . . A 96 GLU HA . 18522 1 836 . 1 1 84 84 GLU HB2 H 1 1.706 0.003 . 2 . . . . A 96 GLU HB2 . 18522 1 837 . 1 1 84 84 GLU HB3 H 1 1.933 0.005 . 2 . . . . A 96 GLU HB3 . 18522 1 838 . 1 1 84 84 GLU HG2 H 1 2.081 0.008 . 2 . . . . A 96 GLU HG2 . 18522 1 839 . 1 1 84 84 GLU HG3 H 1 2.075 0.005 . 2 . . . . A 96 GLU HG3 . 18522 1 840 . 1 1 84 84 GLU C C 13 174.583 0.000 . 1 . . . . A 96 GLU C . 18522 1 841 . 1 1 84 84 GLU CA C 13 55.821 0.016 . 1 . . . . A 96 GLU CA . 18522 1 842 . 1 1 84 84 GLU CB C 13 31.410 0.086 . 1 . . . . A 96 GLU CB . 18522 1 843 . 1 1 84 84 GLU CG C 13 35.415 0.051 . 1 . . . . A 96 GLU CG . 18522 1 844 . 1 1 84 84 GLU N N 15 121.485 0.027 . 1 . . . . A 96 GLU N . 18522 1 845 . 1 1 85 85 VAL H H 1 9.096 0.006 . 1 . . . . A 97 VAL H . 18522 1 846 . 1 1 85 85 VAL HA H 1 4.665 0.002 . 1 . . . . A 97 VAL HA . 18522 1 847 . 1 1 85 85 VAL HB H 1 1.978 0.010 . 1 . . . . A 97 VAL HB . 18522 1 848 . 1 1 85 85 VAL HG11 H 1 0.931 0.017 . . . . . . A 97 VAL HG11 . 18522 1 849 . 1 1 85 85 VAL HG12 H 1 0.931 0.017 . . . . . . A 97 VAL HG12 . 18522 1 850 . 1 1 85 85 VAL HG13 H 1 0.931 0.017 . . . . . . A 97 VAL HG13 . 18522 1 851 . 1 1 85 85 VAL HG21 H 1 0.991 0.013 . . . . . . A 97 VAL HG21 . 18522 1 852 . 1 1 85 85 VAL HG22 H 1 0.991 0.013 . . . . . . A 97 VAL HG22 . 18522 1 853 . 1 1 85 85 VAL HG23 H 1 0.991 0.013 . . . . . . A 97 VAL HG23 . 18522 1 854 . 1 1 85 85 VAL C C 13 173.047 0.000 . 1 . . . . A 97 VAL C . 18522 1 855 . 1 1 85 85 VAL CA C 13 60.114 0.063 . 1 . . . . A 97 VAL CA . 18522 1 856 . 1 1 85 85 VAL CB C 13 35.184 0.061 . 1 . . . . A 97 VAL CB . 18522 1 857 . 1 1 85 85 VAL CG1 C 13 21.621 0.539 . 2 . . . . A 97 VAL CG1 . 18522 1 858 . 1 1 85 85 VAL CG2 C 13 21.991 0.001 . 2 . . . . A 97 VAL CG2 . 18522 1 859 . 1 1 85 85 VAL N N 15 120.501 0.094 . 1 . . . . A 97 VAL N . 18522 1 860 . 1 1 86 86 THR H H 1 9.352 0.006 . 1 . . . . A 98 THR H . 18522 1 861 . 1 1 86 86 THR HA H 1 4.076 0.000 . 1 . . . . A 98 THR HA . 18522 1 862 . 1 1 86 86 THR HB H 1 4.664 0.002 . 1 . . . . A 98 THR HB . 18522 1 863 . 1 1 86 86 THR HG1 H 1 5.193 0.000 . 1 . . . . A 98 THR HG1 . 18522 1 864 . 1 1 86 86 THR HG21 H 1 0.995 0.017 . . . . . . A 98 THR HG21 . 18522 1 865 . 1 1 86 86 THR HG22 H 1 0.995 0.017 . . . . . . A 98 THR HG22 . 18522 1 866 . 1 1 86 86 THR HG23 H 1 0.995 0.017 . . . . . . A 98 THR HG23 . 18522 1 867 . 1 1 86 86 THR C C 13 173.807 0.000 . 1 . . . . A 98 THR C . 18522 1 868 . 1 1 86 86 THR CA C 13 61.735 0.010 . 1 . . . . A 98 THR CA . 18522 1 869 . 1 1 86 86 THR CB C 13 69.531 0.041 . 1 . . . . A 98 THR CB . 18522 1 870 . 1 1 86 86 THR CG2 C 13 22.194 0.213 . 1 . . . . A 98 THR CG2 . 18522 1 871 . 1 1 86 86 THR N N 15 125.019 0.093 . 1 . . . . A 98 THR N . 18522 1 872 . 1 1 87 87 ILE H H 1 9.329 0.009 . 1 . . . . A 99 ILE H . 18522 1 873 . 1 1 87 87 ILE HA H 1 4.661 0.004 . 1 . . . . A 99 ILE HA . 18522 1 874 . 1 1 87 87 ILE HB H 1 2.043 0.005 . 1 . . . . A 99 ILE HB . 18522 1 875 . 1 1 87 87 ILE HG12 H 1 1.480 0.007 . 2 . . . . A 99 ILE HG12 . 18522 1 876 . 1 1 87 87 ILE HG13 H 1 1.310 0.029 . 2 . . . . A 99 ILE HG13 . 18522 1 877 . 1 1 87 87 ILE HG21 H 1 0.946 0.013 . . . . . . A 99 ILE HG21 . 18522 1 878 . 1 1 87 87 ILE HG22 H 1 0.946 0.013 . . . . . . A 99 ILE HG22 . 18522 1 879 . 1 1 87 87 ILE HG23 H 1 0.946 0.013 . . . . . . A 99 ILE HG23 . 18522 1 880 . 1 1 87 87 ILE HD11 H 1 0.763 0.018 . . . . . . A 99 ILE HD11 . 18522 1 881 . 1 1 87 87 ILE HD12 H 1 0.763 0.018 . . . . . . A 99 ILE HD12 . 18522 1 882 . 1 1 87 87 ILE HD13 H 1 0.763 0.018 . . . . . . A 99 ILE HD13 . 18522 1 883 . 1 1 87 87 ILE C C 13 174.614 0.000 . 1 . . . . A 99 ILE C . 18522 1 884 . 1 1 87 87 ILE CA C 13 58.258 0.062 . 1 . . . . A 99 ILE CA . 18522 1 885 . 1 1 87 87 ILE CB C 13 38.528 0.040 . 1 . . . . A 99 ILE CB . 18522 1 886 . 1 1 87 87 ILE CG1 C 13 26.905 0.149 . 1 . . . . A 99 ILE CG1 . 18522 1 887 . 1 1 87 87 ILE CG2 C 13 17.059 0.285 . 1 . . . . A 99 ILE CG2 . 18522 1 888 . 1 1 87 87 ILE CD1 C 13 10.721 0.094 . 1 . . . . A 99 ILE CD1 . 18522 1 889 . 1 1 87 87 ILE N N 15 128.383 0.074 . 1 . . . . A 99 ILE N . 18522 1 890 . 1 1 88 88 HIS H H 1 8.647 0.009 . 1 . . . . A 100 HIS H . 18522 1 891 . 1 1 88 88 HIS HA H 1 4.948 0.003 . 1 . . . . A 100 HIS HA . 18522 1 892 . 1 1 88 88 HIS HB2 H 1 2.701 0.014 . 2 . . . . A 100 HIS HB2 . 18522 1 893 . 1 1 88 88 HIS HB3 H 1 3.019 0.001 . 2 . . . . A 100 HIS HB3 . 18522 1 894 . 1 1 88 88 HIS C C 13 174.787 0.000 . 1 . . . . A 100 HIS C . 18522 1 895 . 1 1 88 88 HIS CA C 13 54.620 0.051 . 1 . . . . A 100 HIS CA . 18522 1 896 . 1 1 88 88 HIS N N 15 128.279 0.046 . 1 . . . . A 100 HIS N . 18522 1 897 . 1 1 89 89 TYR H H 1 8.414 0.011 . 1 . . . . A 101 TYR H . 18522 1 898 . 1 1 89 89 TYR HA H 1 5.947 0.002 . 1 . . . . A 101 TYR HA . 18522 1 899 . 1 1 89 89 TYR C C 13 173.769 0.009 . 1 . . . . A 101 TYR C . 18522 1 900 . 1 1 89 89 TYR CA C 13 55.669 0.025 . 1 . . . . A 101 TYR CA . 18522 1 901 . 1 1 89 89 TYR CB C 13 42.195 0.018 . 1 . . . . A 101 TYR CB . 18522 1 902 . 1 1 89 89 TYR N N 15 121.320 0.046 . 1 . . . . A 101 TYR N . 18522 1 903 . 1 1 90 90 ASN H H 1 9.282 0.010 . 1 . . . . A 102 ASN H . 18522 1 904 . 1 1 90 90 ASN HA H 1 5.335 0.007 . 1 . . . . A 102 ASN HA . 18522 1 905 . 1 1 90 90 ASN HB2 H 1 2.750 0.018 . 2 . . . . A 102 ASN HB2 . 18522 1 906 . 1 1 90 90 ASN HB3 H 1 2.483 0.007 . 2 . . . . A 102 ASN HB3 . 18522 1 907 . 1 1 90 90 ASN C C 13 175.406 0.000 . 1 . . . . A 102 ASN C . 18522 1 908 . 1 1 90 90 ASN CA C 13 51.961 0.041 . 1 . . . . A 102 ASN CA . 18522 1 909 . 1 1 90 90 ASN CB C 13 41.800 0.082 . 1 . . . . A 102 ASN CB . 18522 1 910 . 1 1 90 90 ASN N N 15 116.679 0.059 . 1 . . . . A 102 ASN N . 18522 1 911 . 1 1 91 91 LYS H H 1 8.949 0.009 . 1 . . . . A 103 LYS H . 18522 1 912 . 1 1 91 91 LYS HB3 H 1 1.882 0.006 . 2 . . . . A 103 LYS HB3 . 18522 1 913 . 1 1 91 91 LYS HG2 H 1 1.679 0.004 . 2 . . . . A 103 LYS HG2 . 18522 1 914 . 1 1 91 91 LYS HG3 H 1 1.628 0.000 . 2 . . . . A 103 LYS HG3 . 18522 1 915 . 1 1 91 91 LYS HD2 H 1 1.760 0.004 . 2 . . . . A 103 LYS HD2 . 18522 1 916 . 1 1 91 91 LYS HE2 H 1 2.677 0.000 . 2 . . . . A 103 LYS HE2 . 18522 1 917 . 1 1 91 91 LYS HE3 H 1 3.057 0.025 . 2 . . . . A 103 LYS HE3 . 18522 1 918 . 1 1 91 91 LYS C C 13 176.678 0.000 . 1 . . . . A 103 LYS C . 18522 1 919 . 1 1 91 91 LYS CA C 13 55.006 0.000 . 1 . . . . A 103 LYS CA . 18522 1 920 . 1 1 91 91 LYS CG C 13 24.131 0.260 . 1 . . . . A 103 LYS CG . 18522 1 921 . 1 1 91 91 LYS CD C 13 28.319 0.055 . 1 . . . . A 103 LYS CD . 18522 1 922 . 1 1 91 91 LYS CE C 13 41.906 0.245 . 1 . . . . A 103 LYS CE . 18522 1 923 . 1 1 91 91 LYS N N 15 124.129 0.042 . 1 . . . . A 103 LYS N . 18522 1 924 . 1 1 92 92 LEU H H 1 9.150 0.008 . 1 . . . . A 104 LEU H . 18522 1 925 . 1 1 92 92 LEU HA H 1 4.425 0.006 . 1 . . . . A 104 LEU HA . 18522 1 926 . 1 1 92 92 LEU HB2 H 1 1.639 0.017 . 2 . . . . A 104 LEU HB2 . 18522 1 927 . 1 1 92 92 LEU HB3 H 1 1.701 0.000 . 2 . . . . A 104 LEU HB3 . 18522 1 928 . 1 1 92 92 LEU HG H 1 1.636 0.035 . 1 . . . . A 104 LEU HG . 18522 1 929 . 1 1 92 92 LEU HD11 H 1 0.864 0.028 . . . . . . A 104 LEU HD11 . 18522 1 930 . 1 1 92 92 LEU HD12 H 1 0.864 0.028 . . . . . . A 104 LEU HD12 . 18522 1 931 . 1 1 92 92 LEU HD13 H 1 0.864 0.028 . . . . . . A 104 LEU HD13 . 18522 1 932 . 1 1 92 92 LEU HD21 H 1 0.977 0.012 . . . . . . A 104 LEU HD21 . 18522 1 933 . 1 1 92 92 LEU HD22 H 1 0.977 0.012 . . . . . . A 104 LEU HD22 . 18522 1 934 . 1 1 92 92 LEU HD23 H 1 0.977 0.012 . . . . . . A 104 LEU HD23 . 18522 1 935 . 1 1 92 92 LEU CA C 13 55.060 0.079 . 1 . . . . A 104 LEU CA . 18522 1 936 . 1 1 92 92 LEU CB C 13 42.559 0.074 . 1 . . . . A 104 LEU CB . 18522 1 937 . 1 1 92 92 LEU CG C 13 27.237 0.060 . 1 . . . . A 104 LEU CG . 18522 1 938 . 1 1 92 92 LEU CD1 C 13 24.318 0.000 . 2 . . . . A 104 LEU CD1 . 18522 1 939 . 1 1 92 92 LEU CD2 C 13 24.407 0.152 . 2 . . . . A 104 LEU CD2 . 18522 1 940 . 1 1 92 92 LEU N N 15 127.043 0.101 . 1 . . . . A 104 LEU N . 18522 1 941 . 1 1 93 93 GLN HA H 1 4.315 0.019 . 1 . . . . A 105 GLN HA . 18522 1 942 . 1 1 93 93 GLN HB2 H 1 2.000 0.004 . 2 . . . . A 105 GLN HB2 . 18522 1 943 . 1 1 93 93 GLN HB3 H 1 2.141 0.006 . 2 . . . . A 105 GLN HB3 . 18522 1 944 . 1 1 93 93 GLN C C 13 175.070 0.000 . 1 . . . . A 105 GLN C . 18522 1 945 . 1 1 93 93 GLN CA C 13 55.490 0.081 . 1 . . . . A 105 GLN CA . 18522 1 946 . 1 1 93 93 GLN CB C 13 28.909 0.110 . 1 . . . . A 105 GLN CB . 18522 1 947 . 1 1 94 94 ALA H H 1 8.226 0.006 . 1 . . . . A 106 ALA H . 18522 1 948 . 1 1 94 94 ALA HA H 1 4.366 0.029 . 1 . . . . A 106 ALA HA . 18522 1 949 . 1 1 94 94 ALA HB1 H 1 1.228 0.007 . . . . . . A 106 ALA HB1 . 18522 1 950 . 1 1 94 94 ALA HB2 H 1 1.228 0.007 . . . . . . A 106 ALA HB2 . 18522 1 951 . 1 1 94 94 ALA HB3 H 1 1.228 0.007 . . . . . . A 106 ALA HB3 . 18522 1 952 . 1 1 94 94 ALA C C 13 176.392 0.000 . 1 . . . . A 106 ALA C . 18522 1 953 . 1 1 94 94 ALA CA C 13 51.723 0.057 . 1 . . . . A 106 ALA CA . 18522 1 954 . 1 1 94 94 ALA CB C 13 20.185 0.051 . 1 . . . . A 106 ALA CB . 18522 1 955 . 1 1 94 94 ALA N N 15 125.133 0.079 . 1 . . . . A 106 ALA N . 18522 1 956 . 1 1 95 95 ASP H H 1 8.429 0.003 . 1 . . . . A 107 ASP H . 18522 1 957 . 1 1 95 95 ASP HA H 1 4.413 0.030 . 1 . . . . A 107 ASP HA . 18522 1 958 . 1 1 95 95 ASP HB2 H 1 2.762 0.025 . 2 . . . . A 107 ASP HB2 . 18522 1 959 . 1 1 95 95 ASP C C 13 175.019 0.000 . 1 . . . . A 107 ASP C . 18522 1 960 . 1 1 95 95 ASP CA C 13 55.642 0.013 . 1 . . . . A 107 ASP CA . 18522 1 961 . 1 1 95 95 ASP CB C 13 41.266 0.000 . 1 . . . . A 107 ASP CB . 18522 1 962 . 1 1 95 95 ASP N N 15 122.013 0.054 . 1 . . . . A 107 ASP N . 18522 1 963 . 1 1 96 96 PRO HA H 1 4.207 0.003 . 1 . . . . A 108 PRO HA . 18522 1 964 . 1 1 96 96 PRO HB2 H 1 2.348 0.022 . 2 . . . . A 108 PRO HB2 . 18522 1 965 . 1 1 96 96 PRO HB3 H 1 1.950 0.001 . 2 . . . . A 108 PRO HB3 . 18522 1 966 . 1 1 96 96 PRO C C 13 178.840 0.000 . 1 . . . . A 108 PRO C . 18522 1 967 . 1 1 96 96 PRO CA C 13 65.396 0.045 . 1 . . . . A 108 PRO CA . 18522 1 968 . 1 1 96 96 PRO CB C 13 32.181 0.036 . 1 . . . . A 108 PRO CB . 18522 1 969 . 1 1 97 97 LYS H H 1 8.335 0.009 . 1 . . . . A 109 LYS H . 18522 1 970 . 1 1 97 97 LYS HA H 1 4.143 0.010 . 1 . . . . A 109 LYS HA . 18522 1 971 . 1 1 97 97 LYS HB2 H 1 1.868 0.003 . 2 . . . . A 109 LYS HB2 . 18522 1 972 . 1 1 97 97 LYS HG2 H 1 1.476 0.011 . 2 . . . . A 109 LYS HG2 . 18522 1 973 . 1 1 97 97 LYS C C 13 178.099 0.000 . 1 . . . . A 109 LYS C . 18522 1 974 . 1 1 97 97 LYS CA C 13 58.167 0.047 . 1 . . . . A 109 LYS CA . 18522 1 975 . 1 1 97 97 LYS CB C 13 31.649 0.058 . 1 . . . . A 109 LYS CB . 18522 1 976 . 1 1 97 97 LYS N N 15 117.942 0.042 . 1 . . . . A 109 LYS N . 18522 1 977 . 1 1 98 98 GLN H H 1 7.985 0.005 . 1 . . . . A 110 GLN H . 18522 1 978 . 1 1 98 98 GLN HA H 1 4.130 0.006 . 1 . . . . A 110 GLN HA . 18522 1 979 . 1 1 98 98 GLN HB2 H 1 2.070 0.004 . 2 . . . . A 110 GLN HB2 . 18522 1 980 . 1 1 98 98 GLN HB3 H 1 2.152 0.014 . 2 . . . . A 110 GLN HB3 . 18522 1 981 . 1 1 98 98 GLN HG2 H 1 2.450 0.003 . 2 . . . . A 110 GLN HG2 . 18522 1 982 . 1 1 98 98 GLN HG3 H 1 2.341 0.011 . 2 . . . . A 110 GLN HG3 . 18522 1 983 . 1 1 98 98 GLN C C 13 178.298 0.000 . 1 . . . . A 110 GLN C . 18522 1 984 . 1 1 98 98 GLN CA C 13 57.660 0.094 . 1 . . . . A 110 GLN CA . 18522 1 985 . 1 1 98 98 GLN CB C 13 28.720 0.034 . 1 . . . . A 110 GLN CB . 18522 1 986 . 1 1 98 98 GLN CG C 13 33.941 0.074 . 1 . . . . A 110 GLN CG . 18522 1 987 . 1 1 98 98 GLN N N 15 119.159 0.067 . 1 . . . . A 110 GLN N . 18522 1 988 . 1 1 99 99 LEU H H 1 7.994 0.004 . 1 . . . . A 111 LEU H . 18522 1 989 . 1 1 99 99 LEU HA H 1 3.877 0.004 . 1 . . . . A 111 LEU HA . 18522 1 990 . 1 1 99 99 LEU HB2 H 1 1.444 0.013 . 2 . . . . A 111 LEU HB2 . 18522 1 991 . 1 1 99 99 LEU HB3 H 1 1.654 0.014 . 2 . . . . A 111 LEU HB3 . 18522 1 992 . 1 1 99 99 LEU HD11 H 1 0.669 0.008 . . . . . . A 111 LEU HD11 . 18522 1 993 . 1 1 99 99 LEU HD12 H 1 0.669 0.008 . . . . . . A 111 LEU HD12 . 18522 1 994 . 1 1 99 99 LEU HD13 H 1 0.669 0.008 . . . . . . A 111 LEU HD13 . 18522 1 995 . 1 1 99 99 LEU HD21 H 1 0.748 0.005 . . . . . . A 111 LEU HD21 . 18522 1 996 . 1 1 99 99 LEU HD22 H 1 0.748 0.005 . . . . . . A 111 LEU HD22 . 18522 1 997 . 1 1 99 99 LEU HD23 H 1 0.748 0.005 . . . . . . A 111 LEU HD23 . 18522 1 998 . 1 1 99 99 LEU C C 13 177.729 0.000 . 1 . . . . A 111 LEU C . 18522 1 999 . 1 1 99 99 LEU CA C 13 57.049 0.060 . 1 . . . . A 111 LEU CA . 18522 1 1000 . 1 1 99 99 LEU CB C 13 41.466 0.067 . 1 . . . . A 111 LEU CB . 18522 1 1001 . 1 1 99 99 LEU CD2 C 13 24.973 0.033 . 2 . . . . A 111 LEU CD2 . 18522 1 1002 . 1 1 99 99 LEU N N 15 120.490 0.034 . 1 . . . . A 111 LEU N . 18522 1 1003 . 1 1 100 100 GLU H H 1 7.760 0.007 . 1 . . . . A 112 GLU H . 18522 1 1004 . 1 1 100 100 GLU HA H 1 3.972 0.005 . 1 . . . . A 112 GLU HA . 18522 1 1005 . 1 1 100 100 GLU HB3 H 1 2.076 0.003 . 2 . . . . A 112 GLU HB3 . 18522 1 1006 . 1 1 100 100 GLU HG2 H 1 2.345 0.013 . 2 . . . . A 112 GLU HG2 . 18522 1 1007 . 1 1 100 100 GLU HG3 H 1 2.181 0.005 . 2 . . . . A 112 GLU HG3 . 18522 1 1008 . 1 1 100 100 GLU C C 13 178.402 0.000 . 1 . . . . A 112 GLU C . 18522 1 1009 . 1 1 100 100 GLU CA C 13 59.056 0.071 . 1 . . . . A 112 GLU CA . 18522 1 1010 . 1 1 100 100 GLU CB C 13 29.732 0.000 . 1 . . . . A 112 GLU CB . 18522 1 1011 . 1 1 100 100 GLU CG C 13 36.313 0.079 . 1 . . . . A 112 GLU CG . 18522 1 1012 . 1 1 100 100 GLU N N 15 118.251 0.205 . 1 . . . . A 112 GLU N . 18522 1 1013 . 1 1 101 101 VAL H H 1 7.437 0.007 . 1 . . . . A 113 VAL H . 18522 1 1014 . 1 1 101 101 VAL HA H 1 3.762 0.005 . 1 . . . . A 113 VAL HA . 18522 1 1015 . 1 1 101 101 VAL HB H 1 2.080 0.004 . 1 . . . . A 113 VAL HB . 18522 1 1016 . 1 1 101 101 VAL HG11 H 1 1.000 0.014 . . . . . . A 113 VAL HG11 . 18522 1 1017 . 1 1 101 101 VAL HG12 H 1 1.000 0.014 . . . . . . A 113 VAL HG12 . 18522 1 1018 . 1 1 101 101 VAL HG13 H 1 1.000 0.014 . . . . . . A 113 VAL HG13 . 18522 1 1019 . 1 1 101 101 VAL HG21 H 1 0.912 0.002 . . . . . . A 113 VAL HG21 . 18522 1 1020 . 1 1 101 101 VAL HG22 H 1 0.912 0.002 . . . . . . A 113 VAL HG22 . 18522 1 1021 . 1 1 101 101 VAL HG23 H 1 0.912 0.002 . . . . . . A 113 VAL HG23 . 18522 1 1022 . 1 1 101 101 VAL C C 13 178.107 0.000 . 1 . . . . A 113 VAL C . 18522 1 1023 . 1 1 101 101 VAL CA C 13 64.791 0.064 . 1 . . . . A 113 VAL CA . 18522 1 1024 . 1 1 101 101 VAL CB C 13 32.149 0.089 . 1 . . . . A 113 VAL CB . 18522 1 1025 . 1 1 101 101 VAL CG1 C 13 21.880 0.096 . 2 . . . . A 113 VAL CG1 . 18522 1 1026 . 1 1 101 101 VAL CG2 C 13 21.186 0.021 . 2 . . . . A 113 VAL CG2 . 18522 1 1027 . 1 1 101 101 VAL N N 15 117.229 0.050 . 1 . . . . A 113 VAL N . 18522 1 1028 . 1 1 102 102 LEU H H 1 7.765 0.006 . 1 . . . . A 114 LEU H . 18522 1 1029 . 1 1 102 102 LEU HA H 1 4.033 0.003 . 1 . . . . A 114 LEU HA . 18522 1 1030 . 1 1 102 102 LEU HB2 H 1 1.377 0.004 . 2 . . . . A 114 LEU HB2 . 18522 1 1031 . 1 1 102 102 LEU HB3 H 1 1.216 0.003 . 2 . . . . A 114 LEU HB3 . 18522 1 1032 . 1 1 102 102 LEU C C 13 178.506 0.000 . 1 . . . . A 114 LEU C . 18522 1 1033 . 1 1 102 102 LEU CA C 13 57.243 0.032 . 1 . . . . A 114 LEU CA . 18522 1 1034 . 1 1 102 102 LEU CB C 13 42.028 0.000 . 1 . . . . A 114 LEU CB . 18522 1 1035 . 1 1 102 102 LEU N N 15 122.124 0.110 . 1 . . . . A 114 LEU N . 18522 1 1036 . 1 1 103 103 PHE H H 1 7.805 0.008 . 1 . . . . A 115 PHE H . 18522 1 1037 . 1 1 103 103 PHE HA H 1 4.224 0.011 . 1 . . . . A 115 PHE HA . 18522 1 1038 . 1 1 103 103 PHE HB2 H 1 2.851 0.009 . 2 . . . . A 115 PHE HB2 . 18522 1 1039 . 1 1 103 103 PHE HB3 H 1 3.090 0.011 . 2 . . . . A 115 PHE HB3 . 18522 1 1040 . 1 1 103 103 PHE C C 13 175.621 0.000 . 1 . . . . A 115 PHE C . 18522 1 1041 . 1 1 103 103 PHE CA C 13 57.537 0.057 . 1 . . . . A 115 PHE CA . 18522 1 1042 . 1 1 103 103 PHE CB C 13 38.057 0.000 . 1 . . . . A 115 PHE CB . 18522 1 1043 . 1 1 103 103 PHE N N 15 115.346 0.063 . 1 . . . . A 115 PHE N . 18522 1 1044 . 1 1 104 104 GLN H H 1 7.974 0.000 . 1 . . . . A 116 GLN H . 18522 1 1045 . 1 1 104 104 GLN HA H 1 4.407 0.003 . 1 . . . . A 116 GLN HA . 18522 1 1046 . 1 1 104 104 GLN HB2 H 1 2.021 0.008 . 2 . . . . A 116 GLN HB2 . 18522 1 1047 . 1 1 104 104 GLN HB3 H 1 2.212 0.005 . 2 . . . . A 116 GLN HB3 . 18522 1 1048 . 1 1 104 104 GLN C C 13 176.402 0.000 . 1 . . . . A 116 GLN C . 18522 1 1049 . 1 1 104 104 GLN CA C 13 55.521 0.044 . 1 . . . . A 116 GLN CA . 18522 1 1050 . 1 1 104 104 GLN CB C 13 29.170 0.046 . 1 . . . . A 116 GLN CB . 18522 1 1051 . 1 1 104 104 GLN N N 15 119.021 0.000 . 1 . . . . A 116 GLN N . 18522 1 1052 . 1 1 105 105 GLY H H 1 8.195 0.003 . 1 . . . . A 117 GLY H . 18522 1 1053 . 1 1 105 105 GLY HA2 H 1 4.212 0.000 . 2 . . . . A 117 GLY HA2 . 18522 1 1054 . 1 1 105 105 GLY HA3 H 1 3.721 0.000 . . . . . . A 117 GLY HA3 . 18522 1 1055 . 1 1 105 105 GLY CA C 13 45.124 0.000 . 1 . . . . A 117 GLY CA . 18522 1 1056 . 1 1 105 105 GLY N N 15 108.868 0.069 . 1 . . . . A 117 GLY N . 18522 1 1057 . 1 1 106 106 PRO HA H 1 4.490 0.019 . 1 . . . . A 118 PRO HA . 18522 1 1058 . 1 1 106 106 PRO HB2 H 1 1.980 0.004 . 2 . . . . A 118 PRO HB2 . 18522 1 1059 . 1 1 106 106 PRO HB3 H 1 2.324 0.012 . 2 . . . . A 118 PRO HB3 . 18522 1 1060 . 1 1 106 106 PRO HG2 H 1 2.053 0.005 . 2 . . . . A 118 PRO HG2 . 18522 1 1061 . 1 1 106 106 PRO HD2 H 1 3.753 0.007 . 2 . . . . A 118 PRO HD2 . 18522 1 1062 . 1 1 106 106 PRO HD3 H 1 3.855 0.014 . 2 . . . . A 118 PRO HD3 . 18522 1 1063 . 1 1 106 106 PRO C C 13 176.001 0.000 . 1 . . . . A 118 PRO C . 18522 1 1064 . 1 1 106 106 PRO CA C 13 63.523 0.074 . 1 . . . . A 118 PRO CA . 18522 1 1065 . 1 1 106 106 PRO CB C 13 32.078 0.072 . 1 . . . . A 118 PRO CB . 18522 1 1066 . 1 1 106 106 PRO CG C 13 27.280 0.049 . 1 . . . . A 118 PRO CG . 18522 1 1067 . 1 1 106 106 PRO CD C 13 50.973 0.196 . 1 . . . . A 118 PRO CD . 18522 1 1068 . 1 1 107 107 GLN H H 1 8.079 0.001 . 1 . . . . A 119 GLN H . 18522 1 1069 . 1 1 107 107 GLN C C 13 181.211 0.000 . 1 . . . . A 119 GLN C . 18522 1 1070 . 1 1 107 107 GLN CA C 13 57.416 0.000 . 1 . . . . A 119 GLN CA . 18522 1 1071 . 1 1 107 107 GLN N N 15 126.950 0.056 . 1 . . . . A 119 GLN N . 18522 1 1072 . 1 1 111 111 ARG C C 13 174.608 0.000 . 1 . . . . A 123 ARG C . 18522 1 1073 . 1 1 111 111 ARG CA C 13 55.099 0.082 . 1 . . . . A 123 ARG CA . 18522 1 1074 . 1 1 112 112 HIS H H 1 7.640 0.009 . 1 . . . . A 124 HIS H . 18522 1 1075 . 1 1 112 112 HIS HA H 1 4.718 0.009 . 1 . . . . A 124 HIS HA . 18522 1 1076 . 1 1 112 112 HIS HB2 H 1 3.034 0.007 . 2 . . . . A 124 HIS HB2 . 18522 1 1077 . 1 1 112 112 HIS C C 13 176.040 0.000 . 1 . . . . A 124 HIS C . 18522 1 1078 . 1 1 112 112 HIS CA C 13 54.213 0.000 . 1 . . . . A 124 HIS CA . 18522 1 1079 . 1 1 112 112 HIS CB C 13 31.164 0.000 . 1 . . . . A 124 HIS CB . 18522 1 1080 . 1 1 112 112 HIS N N 15 122.212 0.113 . 1 . . . . A 124 HIS N . 18522 1 1081 . 1 1 113 113 TRP HE1 H 1 10.051 0.000 . 1 . . . . A 125 TRP HE1 . 18522 1 1082 . 1 1 113 113 TRP C C 13 176.168 0.000 . 1 . . . . A 125 TRP C . 18522 1 1083 . 1 1 113 113 TRP NE1 N 15 127.858 0.000 . 1 . . . . A 125 TRP NE1 . 18522 1 1084 . 1 1 114 114 LEU H H 1 8.606 0.003 . 1 . . . . A 126 LEU H . 18522 1 1085 . 1 1 114 114 LEU HA H 1 4.869 0.004 . 1 . . . . A 126 LEU HA . 18522 1 1086 . 1 1 114 114 LEU HB2 H 1 1.603 0.009 . 2 . . . . A 126 LEU HB2 . 18522 1 1087 . 1 1 114 114 LEU HB3 H 1 1.453 0.011 . 2 . . . . A 126 LEU HB3 . 18522 1 1088 . 1 1 114 114 LEU HG H 1 1.551 0.005 . 1 . . . . A 126 LEU HG . 18522 1 1089 . 1 1 114 114 LEU HD11 H 1 0.902 0.004 . . . . . . A 126 LEU HD11 . 18522 1 1090 . 1 1 114 114 LEU HD12 H 1 0.902 0.004 . . . . . . A 126 LEU HD12 . 18522 1 1091 . 1 1 114 114 LEU HD13 H 1 0.902 0.004 . . . . . . A 126 LEU HD13 . 18522 1 1092 . 1 1 114 114 LEU HD21 H 1 0.887 0.006 . . . . . . A 126 LEU HD21 . 18522 1 1093 . 1 1 114 114 LEU HD22 H 1 0.887 0.006 . . . . . . A 126 LEU HD22 . 18522 1 1094 . 1 1 114 114 LEU HD23 H 1 0.887 0.006 . . . . . . A 126 LEU HD23 . 18522 1 1095 . 1 1 114 114 LEU CA C 13 54.151 0.059 . 1 . . . . A 126 LEU CA . 18522 1 1096 . 1 1 114 114 LEU CB C 13 45.144 0.044 . 1 . . . . A 126 LEU CB . 18522 1 1097 . 1 1 114 114 LEU CD2 C 13 24.695 0.102 . 2 . . . . A 126 LEU CD2 . 18522 1 1098 . 1 1 114 114 LEU N N 15 121.893 0.017 . 1 . . . . A 126 LEU N . 18522 1 1099 . 1 1 115 115 LYS H H 1 8.647 0.005 . 1 . . . . A 127 LYS H . 18522 1 1100 . 1 1 115 115 LYS HA H 1 4.203 0.013 . 1 . . . . A 127 LYS HA . 18522 1 1101 . 1 1 115 115 LYS HB2 H 1 1.739 0.012 . 2 . . . . A 127 LYS HB2 . 18522 1 1102 . 1 1 115 115 LYS HB3 H 1 1.913 0.000 . 2 . . . . A 127 LYS HB3 . 18522 1 1103 . 1 1 115 115 LYS HG2 H 1 1.344 0.000 . 2 . . . . A 127 LYS HG2 . 18522 1 1104 . 1 1 115 115 LYS HD2 H 1 1.576 0.000 . 2 . . . . A 127 LYS HD2 . 18522 1 1105 . 1 1 115 115 LYS HZ1 H 1 7.439 0.000 . 1 . . . . A 127 LYS HZ1 . 18522 1 1106 . 1 1 115 115 LYS HZ2 H 1 7.439 0.000 . 1 . . . . A 127 LYS HZ2 . 18522 1 1107 . 1 1 115 115 LYS HZ3 H 1 7.439 0.000 . 1 . . . . A 127 LYS HZ3 . 18522 1 1108 . 1 1 115 115 LYS C C 13 175.564 0.000 . 1 . . . . A 127 LYS C . 18522 1 1109 . 1 1 115 115 LYS CA C 13 57.252 0.130 . 1 . . . . A 127 LYS CA . 18522 1 1110 . 1 1 115 115 LYS CB C 13 33.406 0.002 . 1 . . . . A 127 LYS CB . 18522 1 1111 . 1 1 115 115 LYS N N 15 125.850 0.134 . 1 . . . . A 127 LYS N . 18522 1 1112 . 1 1 116 116 VAL H H 1 9.088 0.007 . 1 . . . . A 128 VAL H . 18522 1 1113 . 1 1 116 116 VAL HA H 1 4.436 0.003 . 1 . . . . A 128 VAL HA . 18522 1 1114 . 1 1 116 116 VAL HB H 1 2.465 0.002 . 1 . . . . A 128 VAL HB . 18522 1 1115 . 1 1 116 116 VAL HG11 H 1 0.909 0.013 . . . . . . A 128 VAL HG11 . 18522 1 1116 . 1 1 116 116 VAL HG12 H 1 0.909 0.013 . . . . . . A 128 VAL HG12 . 18522 1 1117 . 1 1 116 116 VAL HG13 H 1 0.909 0.013 . . . . . . A 128 VAL HG13 . 18522 1 1118 . 1 1 116 116 VAL HG21 H 1 0.779 0.009 . . . . . . A 128 VAL HG21 . 18522 1 1119 . 1 1 116 116 VAL HG22 H 1 0.779 0.009 . . . . . . A 128 VAL HG22 . 18522 1 1120 . 1 1 116 116 VAL HG23 H 1 0.779 0.009 . . . . . . A 128 VAL HG23 . 18522 1 1121 . 1 1 116 116 VAL C C 13 179.742 0.000 . 1 . . . . A 128 VAL C . 18522 1 1122 . 1 1 116 116 VAL CA C 13 61.751 0.098 . 1 . . . . A 128 VAL CA . 18522 1 1123 . 1 1 116 116 VAL CB C 13 35.096 0.030 . 1 . . . . A 128 VAL CB . 18522 1 1124 . 1 1 116 116 VAL CG1 C 13 20.333 0.224 . 2 . . . . A 128 VAL CG1 . 18522 1 1125 . 1 1 116 116 VAL CG2 C 13 22.721 0.065 . 2 . . . . A 128 VAL CG2 . 18522 1 1126 . 1 1 116 116 VAL N N 15 123.839 0.046 . 1 . . . . A 128 VAL N . 18522 1 stop_ save_