data_18595 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18595 _Entry.Title ; Solid-state NMR 13C and 15N resonance assignments of a seven-transmembrane helical protein Anabaena Sensory Rhodopsin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-16 _Entry.Accession_date 2012-07-16 _Entry.Last_release_date 2012-07-16 _Entry.Original_release_date 2012-07-16 _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 SOLID-STATE _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 Shenlin Wang . . . . 18595 2 Lichi Shi . S. . . 18595 3 Leonid Brown . S. . . 18595 4 Vladimir Ladizhansky . . . . 18595 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' . 18595 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 18595 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 963 18595 '15N chemical shifts' 223 18595 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 . . 2017-08-22 2012-07-16 update author 'update entry citation' 18595 1 . . 2012-08-29 2012-07-16 original author 'original release' 18595 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17064 'incomplete assignments of the same protein' 18595 PDB 2M3G 'BMRB Entry Tracking System' 18595 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18595 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22983928 _Citation.Full_citation . _Citation.Title ; Solid-state NMR 13C and 15N resonance assignments of a seven-transmembrane helical protein Anabaena Sensory Rhodopsin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 253 _Citation.Page_last 256 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shenlin Wang S. . . . 18595 1 2 Lichi Shi L. . . . 18595 1 3 Takashi Okitsu T. . . . 18595 1 4 Akimori Wada A. . . . 18595 1 5 Leonid Brown L. S. . . 18595 1 6 Vladimir Ladizhansky V. . . . 18595 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18595 _Assembly.ID 1 _Assembly.Name ASR _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 27504.3 _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 'Anabeana sensory rhodopsin' 1 $ASR A . yes native yes no . . . 18595 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1XI0 . . X-ray 2.0 'crystal structure of Anabeana sensory rhodopsin' . 18595 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ASR _Entity.Sf_category entity _Entity.Sf_framecode ASR _Entity.Entry_ID 18595 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ASR _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MNLESLLHWIYVAGMTIGAL HFWSLSRNPRGVPQYEYLVA MFIPIWSGLAYMAMAIDQGK VEAAGQIAHYARYIDWMVTT PLLLLSLSWTAMQFIKKDWT LIGFLMSTQIVVITSGLIAD LSERDWVRYLWYICGVCAFL IILWGIWNPLRAKTRTQSSE LANLYDKLVTYFTVLWIGYP IVWIIGPSGFGWINQTIDTF LFCLLPFFSKVGFSFLDLHG LRNLNDSRQHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1,M _Entity.Polymer_author_seq_details '6X his-tagged C-terminal truncated at position 229 Anabeana sensory rhodospin' _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 235 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 18595 1 2 2 ASN . 18595 1 3 3 LEU . 18595 1 4 4 GLU . 18595 1 5 5 SER . 18595 1 6 6 LEU . 18595 1 7 7 LEU . 18595 1 8 8 HIS . 18595 1 9 9 TRP . 18595 1 10 10 ILE . 18595 1 11 11 TYR . 18595 1 12 12 VAL . 18595 1 13 13 ALA . 18595 1 14 14 GLY . 18595 1 15 15 MET . 18595 1 16 16 THR . 18595 1 17 17 ILE . 18595 1 18 18 GLY . 18595 1 19 19 ALA . 18595 1 20 20 LEU . 18595 1 21 21 HIS . 18595 1 22 22 PHE . 18595 1 23 23 TRP . 18595 1 24 24 SER . 18595 1 25 25 LEU . 18595 1 26 26 SER . 18595 1 27 27 ARG . 18595 1 28 28 ASN . 18595 1 29 29 PRO . 18595 1 30 30 ARG . 18595 1 31 31 GLY . 18595 1 32 32 VAL . 18595 1 33 33 PRO . 18595 1 34 34 GLN . 18595 1 35 35 TYR . 18595 1 36 36 GLU . 18595 1 37 37 TYR . 18595 1 38 38 LEU . 18595 1 39 39 VAL . 18595 1 40 40 ALA . 18595 1 41 41 MET . 18595 1 42 42 PHE . 18595 1 43 43 ILE . 18595 1 44 44 PRO . 18595 1 45 45 ILE . 18595 1 46 46 TRP . 18595 1 47 47 SER . 18595 1 48 48 GLY . 18595 1 49 49 LEU . 18595 1 50 50 ALA . 18595 1 51 51 TYR . 18595 1 52 52 MET . 18595 1 53 53 ALA . 18595 1 54 54 MET . 18595 1 55 55 ALA . 18595 1 56 56 ILE . 18595 1 57 57 ASP . 18595 1 58 58 GLN . 18595 1 59 59 GLY . 18595 1 60 60 LYS . 18595 1 61 61 VAL . 18595 1 62 62 GLU . 18595 1 63 63 ALA . 18595 1 64 64 ALA . 18595 1 65 65 GLY . 18595 1 66 66 GLN . 18595 1 67 67 ILE . 18595 1 68 68 ALA . 18595 1 69 69 HIS . 18595 1 70 70 TYR . 18595 1 71 71 ALA . 18595 1 72 72 ARG . 18595 1 73 73 TYR . 18595 1 74 74 ILE . 18595 1 75 75 ASP . 18595 1 76 76 TRP . 18595 1 77 77 MET . 18595 1 78 78 VAL . 18595 1 79 79 THR . 18595 1 80 80 THR . 18595 1 81 81 PRO . 18595 1 82 82 LEU . 18595 1 83 83 LEU . 18595 1 84 84 LEU . 18595 1 85 85 LEU . 18595 1 86 86 SER . 18595 1 87 87 LEU . 18595 1 88 88 SER . 18595 1 89 89 TRP . 18595 1 90 90 THR . 18595 1 91 91 ALA . 18595 1 92 92 MET . 18595 1 93 93 GLN . 18595 1 94 94 PHE . 18595 1 95 95 ILE . 18595 1 96 96 LYS . 18595 1 97 97 LYS . 18595 1 98 98 ASP . 18595 1 99 99 TRP . 18595 1 100 100 THR . 18595 1 101 101 LEU . 18595 1 102 102 ILE . 18595 1 103 103 GLY . 18595 1 104 104 PHE . 18595 1 105 105 LEU . 18595 1 106 106 MET . 18595 1 107 107 SER . 18595 1 108 108 THR . 18595 1 109 109 GLN . 18595 1 110 110 ILE . 18595 1 111 111 VAL . 18595 1 112 112 VAL . 18595 1 113 113 ILE . 18595 1 114 114 THR . 18595 1 115 115 SER . 18595 1 116 116 GLY . 18595 1 117 117 LEU . 18595 1 118 118 ILE . 18595 1 119 119 ALA . 18595 1 120 120 ASP . 18595 1 121 121 LEU . 18595 1 122 122 SER . 18595 1 123 123 GLU . 18595 1 124 124 ARG . 18595 1 125 125 ASP . 18595 1 126 126 TRP . 18595 1 127 127 VAL . 18595 1 128 128 ARG . 18595 1 129 129 TYR . 18595 1 130 130 LEU . 18595 1 131 131 TRP . 18595 1 132 132 TYR . 18595 1 133 133 ILE . 18595 1 134 134 CYS . 18595 1 135 135 GLY . 18595 1 136 136 VAL . 18595 1 137 137 CYS . 18595 1 138 138 ALA . 18595 1 139 139 PHE . 18595 1 140 140 LEU . 18595 1 141 141 ILE . 18595 1 142 142 ILE . 18595 1 143 143 LEU . 18595 1 144 144 TRP . 18595 1 145 145 GLY . 18595 1 146 146 ILE . 18595 1 147 147 TRP . 18595 1 148 148 ASN . 18595 1 149 149 PRO . 18595 1 150 150 LEU . 18595 1 151 151 ARG . 18595 1 152 152 ALA . 18595 1 153 153 LYS . 18595 1 154 154 THR . 18595 1 155 155 ARG . 18595 1 156 156 THR . 18595 1 157 157 GLN . 18595 1 158 158 SER . 18595 1 159 159 SER . 18595 1 160 160 GLU . 18595 1 161 161 LEU . 18595 1 162 162 ALA . 18595 1 163 163 ASN . 18595 1 164 164 LEU . 18595 1 165 165 TYR . 18595 1 166 166 ASP . 18595 1 167 167 LYS . 18595 1 168 168 LEU . 18595 1 169 169 VAL . 18595 1 170 170 THR . 18595 1 171 171 TYR . 18595 1 172 172 PHE . 18595 1 173 173 THR . 18595 1 174 174 VAL . 18595 1 175 175 LEU . 18595 1 176 176 TRP . 18595 1 177 177 ILE . 18595 1 178 178 GLY . 18595 1 179 179 TYR . 18595 1 180 180 PRO . 18595 1 181 181 ILE . 18595 1 182 182 VAL . 18595 1 183 183 TRP . 18595 1 184 184 ILE . 18595 1 185 185 ILE . 18595 1 186 186 GLY . 18595 1 187 187 PRO . 18595 1 188 188 SER . 18595 1 189 189 GLY . 18595 1 190 190 PHE . 18595 1 191 191 GLY . 18595 1 192 192 TRP . 18595 1 193 193 ILE . 18595 1 194 194 ASN . 18595 1 195 195 GLN . 18595 1 196 196 THR . 18595 1 197 197 ILE . 18595 1 198 198 ASP . 18595 1 199 199 THR . 18595 1 200 200 PHE . 18595 1 201 201 LEU . 18595 1 202 202 PHE . 18595 1 203 203 CYS . 18595 1 204 204 LEU . 18595 1 205 205 LEU . 18595 1 206 206 PRO . 18595 1 207 207 PHE . 18595 1 208 208 PHE . 18595 1 209 209 SER . 18595 1 210 210 LYS . 18595 1 211 211 VAL . 18595 1 212 212 GLY . 18595 1 213 213 PHE . 18595 1 214 214 SER . 18595 1 215 215 PHE . 18595 1 216 216 LEU . 18595 1 217 217 ASP . 18595 1 218 218 LEU . 18595 1 219 219 HIS . 18595 1 220 220 GLY . 18595 1 221 221 LEU . 18595 1 222 222 ARG . 18595 1 223 223 ASN . 18595 1 224 224 LEU . 18595 1 225 225 ASN . 18595 1 226 226 ASP . 18595 1 227 227 SER . 18595 1 228 228 ARG . 18595 1 229 229 GLN . 18595 1 230 230 HIS . 18595 1 231 231 HIS . 18595 1 232 232 HIS . 18595 1 233 233 HIS . 18595 1 234 234 HIS . 18595 1 235 235 HIS . 18595 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18595 1 . ASN 2 2 18595 1 . LEU 3 3 18595 1 . GLU 4 4 18595 1 . SER 5 5 18595 1 . LEU 6 6 18595 1 . LEU 7 7 18595 1 . HIS 8 8 18595 1 . TRP 9 9 18595 1 . ILE 10 10 18595 1 . TYR 11 11 18595 1 . VAL 12 12 18595 1 . ALA 13 13 18595 1 . GLY 14 14 18595 1 . MET 15 15 18595 1 . THR 16 16 18595 1 . ILE 17 17 18595 1 . GLY 18 18 18595 1 . ALA 19 19 18595 1 . LEU 20 20 18595 1 . HIS 21 21 18595 1 . PHE 22 22 18595 1 . TRP 23 23 18595 1 . SER 24 24 18595 1 . LEU 25 25 18595 1 . SER 26 26 18595 1 . ARG 27 27 18595 1 . ASN 28 28 18595 1 . PRO 29 29 18595 1 . ARG 30 30 18595 1 . GLY 31 31 18595 1 . VAL 32 32 18595 1 . PRO 33 33 18595 1 . GLN 34 34 18595 1 . TYR 35 35 18595 1 . GLU 36 36 18595 1 . TYR 37 37 18595 1 . LEU 38 38 18595 1 . VAL 39 39 18595 1 . ALA 40 40 18595 1 . MET 41 41 18595 1 . PHE 42 42 18595 1 . ILE 43 43 18595 1 . PRO 44 44 18595 1 . ILE 45 45 18595 1 . TRP 46 46 18595 1 . SER 47 47 18595 1 . GLY 48 48 18595 1 . LEU 49 49 18595 1 . ALA 50 50 18595 1 . TYR 51 51 18595 1 . MET 52 52 18595 1 . ALA 53 53 18595 1 . MET 54 54 18595 1 . ALA 55 55 18595 1 . ILE 56 56 18595 1 . ASP 57 57 18595 1 . GLN 58 58 18595 1 . GLY 59 59 18595 1 . LYS 60 60 18595 1 . VAL 61 61 18595 1 . GLU 62 62 18595 1 . ALA 63 63 18595 1 . ALA 64 64 18595 1 . GLY 65 65 18595 1 . GLN 66 66 18595 1 . ILE 67 67 18595 1 . ALA 68 68 18595 1 . HIS 69 69 18595 1 . TYR 70 70 18595 1 . ALA 71 71 18595 1 . ARG 72 72 18595 1 . TYR 73 73 18595 1 . ILE 74 74 18595 1 . ASP 75 75 18595 1 . TRP 76 76 18595 1 . MET 77 77 18595 1 . VAL 78 78 18595 1 . THR 79 79 18595 1 . THR 80 80 18595 1 . PRO 81 81 18595 1 . LEU 82 82 18595 1 . LEU 83 83 18595 1 . LEU 84 84 18595 1 . LEU 85 85 18595 1 . SER 86 86 18595 1 . LEU 87 87 18595 1 . SER 88 88 18595 1 . TRP 89 89 18595 1 . THR 90 90 18595 1 . ALA 91 91 18595 1 . MET 92 92 18595 1 . GLN 93 93 18595 1 . PHE 94 94 18595 1 . ILE 95 95 18595 1 . LYS 96 96 18595 1 . LYS 97 97 18595 1 . ASP 98 98 18595 1 . TRP 99 99 18595 1 . THR 100 100 18595 1 . LEU 101 101 18595 1 . ILE 102 102 18595 1 . GLY 103 103 18595 1 . PHE 104 104 18595 1 . LEU 105 105 18595 1 . MET 106 106 18595 1 . SER 107 107 18595 1 . THR 108 108 18595 1 . GLN 109 109 18595 1 . ILE 110 110 18595 1 . VAL 111 111 18595 1 . VAL 112 112 18595 1 . ILE 113 113 18595 1 . THR 114 114 18595 1 . SER 115 115 18595 1 . GLY 116 116 18595 1 . LEU 117 117 18595 1 . ILE 118 118 18595 1 . ALA 119 119 18595 1 . ASP 120 120 18595 1 . LEU 121 121 18595 1 . SER 122 122 18595 1 . GLU 123 123 18595 1 . ARG 124 124 18595 1 . ASP 125 125 18595 1 . TRP 126 126 18595 1 . VAL 127 127 18595 1 . ARG 128 128 18595 1 . TYR 129 129 18595 1 . LEU 130 130 18595 1 . TRP 131 131 18595 1 . TYR 132 132 18595 1 . ILE 133 133 18595 1 . CYS 134 134 18595 1 . GLY 135 135 18595 1 . VAL 136 136 18595 1 . CYS 137 137 18595 1 . ALA 138 138 18595 1 . PHE 139 139 18595 1 . LEU 140 140 18595 1 . ILE 141 141 18595 1 . ILE 142 142 18595 1 . LEU 143 143 18595 1 . TRP 144 144 18595 1 . GLY 145 145 18595 1 . ILE 146 146 18595 1 . TRP 147 147 18595 1 . ASN 148 148 18595 1 . PRO 149 149 18595 1 . LEU 150 150 18595 1 . ARG 151 151 18595 1 . ALA 152 152 18595 1 . LYS 153 153 18595 1 . THR 154 154 18595 1 . ARG 155 155 18595 1 . THR 156 156 18595 1 . GLN 157 157 18595 1 . SER 158 158 18595 1 . SER 159 159 18595 1 . GLU 160 160 18595 1 . LEU 161 161 18595 1 . ALA 162 162 18595 1 . ASN 163 163 18595 1 . LEU 164 164 18595 1 . TYR 165 165 18595 1 . ASP 166 166 18595 1 . LYS 167 167 18595 1 . LEU 168 168 18595 1 . VAL 169 169 18595 1 . THR 170 170 18595 1 . TYR 171 171 18595 1 . PHE 172 172 18595 1 . THR 173 173 18595 1 . VAL 174 174 18595 1 . LEU 175 175 18595 1 . TRP 176 176 18595 1 . ILE 177 177 18595 1 . GLY 178 178 18595 1 . TYR 179 179 18595 1 . PRO 180 180 18595 1 . ILE 181 181 18595 1 . VAL 182 182 18595 1 . TRP 183 183 18595 1 . ILE 184 184 18595 1 . ILE 185 185 18595 1 . GLY 186 186 18595 1 . PRO 187 187 18595 1 . SER 188 188 18595 1 . GLY 189 189 18595 1 . PHE 190 190 18595 1 . GLY 191 191 18595 1 . TRP 192 192 18595 1 . ILE 193 193 18595 1 . ASN 194 194 18595 1 . GLN 195 195 18595 1 . THR 196 196 18595 1 . ILE 197 197 18595 1 . ASP 198 198 18595 1 . THR 199 199 18595 1 . PHE 200 200 18595 1 . LEU 201 201 18595 1 . PHE 202 202 18595 1 . CYS 203 203 18595 1 . LEU 204 204 18595 1 . LEU 205 205 18595 1 . PRO 206 206 18595 1 . PHE 207 207 18595 1 . PHE 208 208 18595 1 . SER 209 209 18595 1 . LYS 210 210 18595 1 . VAL 211 211 18595 1 . GLY 212 212 18595 1 . PHE 213 213 18595 1 . SER 214 214 18595 1 . PHE 215 215 18595 1 . LEU 216 216 18595 1 . ASP 217 217 18595 1 . LEU 218 218 18595 1 . HIS 219 219 18595 1 . GLY 220 220 18595 1 . LEU 221 221 18595 1 . ARG 222 222 18595 1 . ASN 223 223 18595 1 . LEU 224 224 18595 1 . ASN 225 225 18595 1 . ASP 226 226 18595 1 . SER 227 227 18595 1 . ARG 228 228 18595 1 . GLN 229 229 18595 1 . HIS 230 230 18595 1 . HIS 231 231 18595 1 . HIS 232 232 18595 1 . HIS 233 233 18595 1 . HIS 234 234 18595 1 . HIS 235 235 18595 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 18595 _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 $ASR . 1172 organism . 'Anabaena variabilis' Cyanobacteria . . Bacteria . Anabaena variabilis PCC7120 . . . . . . . . . . . . 18595 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 18595 _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 $ASR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . Codonplus-RIL . . . . pMS107 . . . 18595 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18595 _Sample.ID 1 _Sample.Name . _Sample.Type liposome _Sample.Sub_type . _Sample.Details 'U-13C, U-15N anabaena sensory rhodospin in DMPC/DMPA lipids at the ratio of 2:1 (w/w)' _Sample.Aggregate_sample_number . _Sample.Solvent_system DMPC/DMPA _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 ASR '[U-100% 13C; U-100% 15N]' . . 1 $ASR . . . . . w/w . . . . 18595 1 2 DMPC '[U-100% 13C; U-100% 15N]' . . . . . . . . . w/w . . . . 18595 1 3 DMPA '[U-100% 13C; U-100% 15N]' . . . . . . . . . w/w . . . . 18595 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18595 _Sample.ID 2 _Sample.Name . _Sample.Type liposome _Sample.Sub_type . _Sample.Details '2-13C glycerol, U-15N labeled anabaena sensory rhodopsin in DMPC/DMPA lipids at the ratio of 2:1' _Sample.Aggregate_sample_number . _Sample.Solvent_system DMPC/DMPA _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 ASR 'alternately labeled by 2-13C glycerol and U- 15N' . . 1 $ASR . . . . . w/w . . . . 18595 2 2 DMPC '[U-100% 13C; U-100% 15N]' . . . . . . . . . w/w . . . . 18595 2 3 DMPA '[U-100% 13C; U-100% 15N]' . . . . . . . . . w/w . . . . 18595 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18595 _Sample.ID 3 _Sample.Name . _Sample.Type liposome _Sample.Sub_type . _Sample.Details '1,3-C13 glycerol labeled and U-15N labeled anabaena sensory rhodopsin in DMPC/DMPA lipids at the ratio of 2:1 (w/w)' _Sample.Aggregate_sample_number . _Sample.Solvent_system DMPC/DMPA _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 ASR '1,3-C13-glycerol labeled and U-N15 labeled' . . 1 $ASR . . . . . w/w . . . . 18595 3 2 DMPC '[U-100% 13C; U-100% 15N]' . . . . . . . . . w/w . . . . 18595 3 3 DMPA '[U-100% 13C; U-100% 15N]' . . . . . . . . . w/w . . . . 18595 3 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 18595 _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 pH 9.0 . pH 18595 1 pressure 1 . atm 18595 1 temperature 278 . K 18595 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18595 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18595 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 18595 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18595 _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, Zhengrong and Bax' . . 18595 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 18595 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18595 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18595 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 18595 3 . 'data analysis' 18595 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18595 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18595 _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 Bruker Avance . 800 . . . 18595 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 18595 _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 NCA' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18595 1 2 '2D NCO' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18595 1 3 '3D CONCA' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18595 1 4 '3D NCACX' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18595 1 5 '3D NCOCX' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18595 1 6 '2D CC (DARR)' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18595 1 7 '2D NCA' no . . . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18595 1 8 '2D NCO' no . . . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18595 1 9 '3D NCACX' no . . . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18595 1 10 '3D NCOCX' no . . . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18595 1 11 '2D CC (DARR)' no . . . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18595 1 12 '2D NCA' no . . . . . . . . . . 3 $sample_3 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18595 1 13 '2D NCO' no . . . . . . . . . . 3 $sample_3 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18595 1 14 '3D NCACX' no . . . . . . . . . . 3 $sample_3 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18595 1 15 '3D NCOCX' no . . . . . . . . . . 3 $sample_3 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18595 1 16 '2D CC (DARR)' no . . . . . . . . . . 3 $sample_3 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18595 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18595 _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 . . . . . 18595 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 18595 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18595 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 NCA' . . . 18595 1 2 '2D NCO' . . . 18595 1 3 '3D CONCA' . . . 18595 1 4 '3D NCACX' . . . 18595 1 5 '3D NCOCX' . . . 18595 1 6 '2D CC (DARR)' . . . 18595 1 7 '2D NCA' . . . 18595 1 8 '2D NCO' . . . 18595 1 9 '3D NCACX' . . . 18595 1 10 '3D NCOCX' . . . 18595 1 11 '2D CC (DARR)' . . . 18595 1 12 '2D NCA' . . . 18595 1 13 '2D NCO' . . . 18595 1 14 '3D NCACX' . . . 18595 1 15 '3D NCOCX' . . . 18595 1 16 '2D CC (DARR)' . . . 18595 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 6 6 LEU C C 13 176.803 0.10 . 1 . . . . . 6 L C . 18595 1 2 . 1 1 6 6 LEU CA C 13 57.357 0.10 . 1 . . . . . 6 L CA . 18595 1 3 . 1 1 6 6 LEU CB C 13 42.826 0.10 . 1 . . . . . 6 L CB . 18595 1 4 . 1 1 6 6 LEU CG C 13 26.421 0.10 . 1 . . . . . 6 L CG . 18595 1 5 . 1 1 6 6 LEU CD1 C 13 25.061 0.10 . 2 . . . . . 6 L CD1 . 18595 1 6 . 1 1 6 6 LEU CD2 C 13 24.326 0.10 . 2 . . . . . 6 L CD2 . 18595 1 7 . 1 1 6 6 LEU N N 15 117.053 0.10 . 1 . . . . . 6 L N . 18595 1 8 . 1 1 7 7 LEU C C 13 178.339 0.10 . 1 . . . . . 7 L C . 18595 1 9 . 1 1 7 7 LEU CA C 13 58.457 0.10 . 1 . . . . . 7 L CA . 18595 1 10 . 1 1 7 7 LEU CB C 13 40.985 0.10 . 1 . . . . . 7 L CB . 18595 1 11 . 1 1 7 7 LEU CG C 13 26.826 0.10 . 1 . . . . . 7 L CG . 18595 1 12 . 1 1 7 7 LEU CD1 C 13 23.417 0.10 . 2 . . . . . 7 L CD1 . 18595 1 13 . 1 1 7 7 LEU CD2 C 13 27.638 0.10 . 2 . . . . . 7 L CD2 . 18595 1 14 . 1 1 7 7 LEU N N 15 117.506 0.10 . 1 . . . . . 7 L N . 18595 1 15 . 1 1 8 8 HIS C C 13 177.915 0.10 . 1 . . . . . 8 H C . 18595 1 16 . 1 1 8 8 HIS CA C 13 63.371 0.10 . 1 . . . . . 8 H CA . 18595 1 17 . 1 1 8 8 HIS CB C 13 28.67 0.10 . 1 . . . . . 8 H CB . 18595 1 18 . 1 1 8 8 HIS CG C 13 129.064 0.10 . 1 . . . . . 8 H CG . 18595 1 19 . 1 1 8 8 HIS CD2 C 13 127.027 0.10 . 1 . . . . . 8 H CD2 . 18595 1 20 . 1 1 8 8 HIS CE1 C 13 137.238 0.10 . 1 . . . . . 8 H CE1 . 18595 1 21 . 1 1 8 8 HIS N N 15 115.952 0.10 . 1 . . . . . 8 H N . 18595 1 22 . 1 1 8 8 HIS ND1 N 15 168.8 0.10 . 1 . . . . . 8 H ND1 . 18595 1 23 . 1 1 9 9 TRP C C 13 179.488 0.10 . 1 . . . . . 9 W C . 18595 1 24 . 1 1 9 9 TRP CA C 13 60.892 0.10 . 1 . . . . . 9 W CA . 18595 1 25 . 1 1 9 9 TRP CB C 13 30.491 0.10 . 1 . . . . . 9 W CB . 18595 1 26 . 1 1 9 9 TRP CG C 13 111.757 0.10 . 1 . . . . . 9 W CG . 18595 1 27 . 1 1 9 9 TRP CD1 C 13 127.655 0.10 . 1 . . . . . 9 W CD1 . 18595 1 28 . 1 1 9 9 TRP CD2 C 13 129.16 0.10 . 1 . . . . . 9 W CD2 . 18595 1 29 . 1 1 9 9 TRP CE2 C 13 139.5 0.10 . 1 . . . . . 9 W CE2 . 18595 1 30 . 1 1 9 9 TRP CE3 C 13 120.2 0.10 . 1 . . . . . 9 W CE3 . 18595 1 31 . 1 1 9 9 TRP CZ2 C 13 114.6 0.10 . 1 . . . . . 9 W CZ2 . 18595 1 32 . 1 1 9 9 TRP CZ3 C 13 121.1 0.10 . 1 . . . . . 9 W CZ3 . 18595 1 33 . 1 1 9 9 TRP CH2 C 13 124.1 0.10 . 1 . . . . . 9 W CH2 . 18595 1 34 . 1 1 9 9 TRP N N 15 120.016 0.10 . 1 . . . . . 9 W N . 18595 1 35 . 1 1 10 10 ILE C C 13 177.538 0.10 . 1 . . . . . 10 I C . 18595 1 36 . 1 1 10 10 ILE CA C 13 65.97 0.10 . 1 . . . . . 10 I CA . 18595 1 37 . 1 1 10 10 ILE CB C 13 37.435 0.10 . 1 . . . . . 10 I CB . 18595 1 38 . 1 1 10 10 ILE CG1 C 13 29.844 0.10 . 1 . . . . . 10 I CG1 . 18595 1 39 . 1 1 10 10 ILE CG2 C 13 17.99 0.10 . 1 . . . . . 10 I CG2 . 18595 1 40 . 1 1 10 10 ILE N N 15 120.107 0.10 . 1 . . . . . 10 I N . 18595 1 41 . 1 1 11 11 TYR C C 13 177.319 0.10 . 1 . . . . . 11 Y C . 18595 1 42 . 1 1 11 11 TYR CA C 13 63.564 0.10 . 1 . . . . . 11 Y CA . 18595 1 43 . 1 1 11 11 TYR CB C 13 38.402 0.10 . 1 . . . . . 11 Y CB . 18595 1 44 . 1 1 11 11 TYR CG C 13 128.723 0.10 . 1 . . . . . 11 Y CG . 18595 1 45 . 1 1 11 11 TYR CE1 C 13 119.09 0.10 . 3 . . . . . 11 Y CE1 . 18595 1 46 . 1 1 11 11 TYR CE2 C 13 118.012 0.10 . 3 . . . . . 11 Y CE2 . 18595 1 47 . 1 1 11 11 TYR CZ C 13 157.709 0.10 . 1 . . . . . 11 Y CZ . 18595 1 48 . 1 1 11 11 TYR N N 15 121.428 0.10 . 1 . . . . . 11 Y N . 18595 1 49 . 1 1 12 12 VAL C C 13 179.824 0.10 . 1 . . . . . 12 V C . 18595 1 50 . 1 1 12 12 VAL CA C 13 68.022 0.10 . 1 . . . . . 12 V CA . 18595 1 51 . 1 1 12 12 VAL CB C 13 31.889 0.10 . 1 . . . . . 12 V CB . 18595 1 52 . 1 1 12 12 VAL CG1 C 13 22.405 0.10 . 2 . . . . . 12 V CG1 . 18595 1 53 . 1 1 12 12 VAL CG2 C 13 21.615 0.10 . 2 . . . . . 12 V CG2 . 18595 1 54 . 1 1 12 12 VAL N N 15 121.592 0.10 . 1 . . . . . 12 V N . 18595 1 55 . 1 1 13 13 ALA C C 13 179.215 0.10 . 1 . . . . . 13 A C . 18595 1 56 . 1 1 13 13 ALA CA C 13 55.88 0.10 . 1 . . . . . 13 A CA . 18595 1 57 . 1 1 13 13 ALA CB C 13 17.993 0.10 . 1 . . . . . 13 A CB . 18595 1 58 . 1 1 13 13 ALA N N 15 124.293 0.10 . 1 . . . . . 13 A N . 18595 1 59 . 1 1 14 14 GLY C C 13 175.579 0.10 . 1 . . . . . 14 G C . 18595 1 60 . 1 1 14 14 GLY CA C 13 48.072 0.10 . 1 . . . . . 14 G CA . 18595 1 61 . 1 1 14 14 GLY N N 15 106.458 0.10 . 1 . . . . . 14 G N . 18595 1 62 . 1 1 15 15 MET C C 13 178.121 0.10 . 1 . . . . . 15 M C . 18595 1 63 . 1 1 15 15 MET CA C 13 56.823 0.10 . 1 . . . . . 15 M CA . 18595 1 64 . 1 1 15 15 MET CB C 13 33.545 0.10 . 1 . . . . . 15 M CB . 18595 1 65 . 1 1 15 15 MET CG C 13 35.281 0.10 . 1 . . . . . 15 M CG . 18595 1 66 . 1 1 15 15 MET CE C 13 22.159 0.10 . 1 . . . . . 15 M CE . 18595 1 67 . 1 1 15 15 MET N N 15 121.239 0.10 . 1 . . . . . 15 M N . 18595 1 68 . 1 1 16 16 THR C C 13 176.107 0.10 . 1 . . . . . 16 T C . 18595 1 69 . 1 1 16 16 THR CA C 13 68.015 0.10 . 1 . . . . . 16 T CA . 18595 1 70 . 1 1 16 16 THR CG2 C 13 21.026 0.10 . 1 . . . . . 16 T CG2 . 18595 1 71 . 1 1 16 16 THR N N 15 116.883 0.10 . 1 . . . . . 16 T N . 18595 1 72 . 1 1 17 17 ILE C C 13 177.781 0.10 . 1 . . . . . 17 I C . 18595 1 73 . 1 1 17 17 ILE CA C 13 65.43 0.10 . 1 . . . . . 17 I CA . 18595 1 74 . 1 1 17 17 ILE CB C 13 38.217 0.10 . 1 . . . . . 17 I CB . 18595 1 75 . 1 1 17 17 ILE CG1 C 13 29.548 0.10 . 1 . . . . . 17 I CG1 . 18595 1 76 . 1 1 17 17 ILE CG2 C 13 21.01 0.10 . 1 . . . . . 17 I CG2 . 18595 1 77 . 1 1 17 17 ILE CD1 C 13 17.392 0.10 . 1 . . . . . 17 I CD1 . 18595 1 78 . 1 1 17 17 ILE N N 15 119.568 0.10 . 1 . . . . . 17 I N . 18595 1 79 . 1 1 18 18 GLY C C 13 172.657 0.10 . 1 . . . . . 18 G C . 18595 1 80 . 1 1 18 18 GLY CA C 13 47.927 0.10 . 1 . . . . . 18 G CA . 18595 1 81 . 1 1 18 18 GLY N N 15 105.309 0.10 . 1 . . . . . 18 G N . 18595 1 82 . 1 1 19 19 ALA C C 13 179.789 0.10 . 1 . . . . . 19 A C . 18595 1 83 . 1 1 19 19 ALA CA C 13 56.558 0.10 . 1 . . . . . 19 A CA . 18595 1 84 . 1 1 19 19 ALA CB C 13 18.142 0.10 . 1 . . . . . 19 A CB . 18595 1 85 . 1 1 19 19 ALA N N 15 122.472 0.10 . 1 . . . . . 19 A N . 18595 1 86 . 1 1 20 20 LEU C C 13 179.525 0.10 . 1 . . . . . 20 L C . 18595 1 87 . 1 1 20 20 LEU CA C 13 57.956 0.10 . 1 . . . . . 20 L CA . 18595 1 88 . 1 1 20 20 LEU CB C 13 42.62 0.10 . 1 . . . . . 20 L CB . 18595 1 89 . 1 1 20 20 LEU CG C 13 27.095 0.10 . 1 . . . . . 20 L CG . 18595 1 90 . 1 1 20 20 LEU N N 15 115.884 0.10 . 1 . . . . . 20 L N . 18595 1 91 . 1 1 21 21 HIS C C 13 177.956 0.10 . 1 . . . . . 21 H C . 18595 1 92 . 1 1 21 21 HIS CA C 13 59.333 0.10 . 1 . . . . . 21 H CA . 18595 1 93 . 1 1 21 21 HIS CB C 13 28.09 0.10 . 1 . . . . . 21 H CB . 18595 1 94 . 1 1 21 21 HIS CG C 13 128.012 0.10 . 1 . . . . . 21 H CG . 18595 1 95 . 1 1 21 21 HIS CD2 C 13 130.455 0.10 . 1 . . . . . 21 H CD2 . 18595 1 96 . 1 1 21 21 HIS CE1 C 13 140.282 0.10 . 1 . . . . . 21 H CE1 . 18595 1 97 . 1 1 21 21 HIS N N 15 120.078 0.10 . 1 . . . . . 21 H N . 18595 1 98 . 1 1 22 22 PHE C C 13 178.15 0.10 . 1 . . . . . 22 F C . 18595 1 99 . 1 1 22 22 PHE CA C 13 58.406 0.10 . 1 . . . . . 22 F CA . 18595 1 100 . 1 1 22 22 PHE CB C 13 37.054 0.10 . 1 . . . . . 22 F CB . 18595 1 101 . 1 1 22 22 PHE CG C 13 137.821 0.10 . 1 . . . . . 22 F CG . 18595 1 102 . 1 1 22 22 PHE N N 15 120.005 0.10 . 1 . . . . . 22 F N . 18595 1 103 . 1 1 24 24 SER C C 13 178.401 0.10 . 1 . . . . . 24 S C . 18595 1 104 . 1 1 24 24 SER CA C 13 61.849 0.10 . 1 . . . . . 24 S CA . 18595 1 105 . 1 1 24 24 SER N N 15 116.54 0.10 . 1 . . . . . 24 S N . 18595 1 106 . 1 1 25 25 LEU C C 13 179.013 0.10 . 1 . . . . . 25 L C . 18595 1 107 . 1 1 25 25 LEU CA C 13 57.187 0.10 . 1 . . . . . 25 L CA . 18595 1 108 . 1 1 25 25 LEU CB C 13 42.291 0.10 . 1 . . . . . 25 L CB . 18595 1 109 . 1 1 25 25 LEU CG C 13 26.04 0.10 . 1 . . . . . 25 L CG . 18595 1 110 . 1 1 25 25 LEU CD1 C 13 24.695 0.10 . 2 . . . . . 25 L CD1 . 18595 1 111 . 1 1 25 25 LEU CD2 C 13 20.74 0.10 . 2 . . . . . 25 L CD2 . 18595 1 112 . 1 1 25 25 LEU N N 15 120.051 0.10 . 1 . . . . . 25 L N . 18595 1 113 . 1 1 26 26 SER C C 13 174.615 0.10 . 1 . . . . . 26 S C . 18595 1 114 . 1 1 26 26 SER CA C 13 60.601 0.10 . 1 . . . . . 26 S CA . 18595 1 115 . 1 1 26 26 SER CB C 13 63.21 0.10 . 1 . . . . . 26 S CB . 18595 1 116 . 1 1 26 26 SER N N 15 116.157 0.10 . 1 . . . . . 26 S N . 18595 1 117 . 1 1 28 28 ASN C C 13 173.385 0.10 . 1 . . . . . 28 N C . 18595 1 118 . 1 1 28 28 ASN CA C 13 50.911 0.10 . 1 . . . . . 28 N CA . 18595 1 119 . 1 1 28 28 ASN CB C 13 38.95 0.10 . 1 . . . . . 28 N CB . 18595 1 120 . 1 1 28 28 ASN CG C 13 178.279 0.10 . 1 . . . . . 28 N CG . 18595 1 121 . 1 1 28 28 ASN N N 15 115.648 0.10 . 1 . . . . . 28 N N . 18595 1 122 . 1 1 29 29 PRO C C 13 178.422 0.10 . 1 . . . . . 29 P C . 18595 1 123 . 1 1 29 29 PRO CA C 13 64.861 0.10 . 1 . . . . . 29 P CA . 18595 1 124 . 1 1 29 29 PRO CB C 13 33.548 0.10 . 1 . . . . . 29 P CB . 18595 1 125 . 1 1 29 29 PRO CG C 13 26.792 0.10 . 1 . . . . . 29 P CG . 18595 1 126 . 1 1 29 29 PRO CD C 13 49.89 0.10 . 1 . . . . . 29 P CD . 18595 1 127 . 1 1 29 29 PRO N N 15 130.411 0.10 . 1 . . . . . 29 P N . 18595 1 128 . 1 1 31 31 GLY C C 13 173.927 0.10 . 1 . . . . . 31 G C . 18595 1 129 . 1 1 31 31 GLY CA C 13 45.584 0.10 . 1 . . . . . 31 G CA . 18595 1 130 . 1 1 31 31 GLY N N 15 102.969 0.10 . 1 . . . . . 31 G N . 18595 1 131 . 1 1 32 32 VAL C C 13 174.011 0.10 . 1 . . . . . 32 V C . 18595 1 132 . 1 1 32 32 VAL CA C 13 59.877 0.10 . 1 . . . . . 32 V CA . 18595 1 133 . 1 1 32 32 VAL CB C 13 32.509 0.10 . 1 . . . . . 32 V CB . 18595 1 134 . 1 1 32 32 VAL CG1 C 13 22.946 0.10 . 2 . . . . . 32 V CG1 . 18595 1 135 . 1 1 32 32 VAL CG2 C 13 19.886 0.10 . 2 . . . . . 32 V CG2 . 18595 1 136 . 1 1 32 32 VAL N N 15 125.123 0.10 . 1 . . . . . 32 V N . 18595 1 137 . 1 1 33 33 PRO C C 13 177.681 0.10 . 1 . . . . . 33 P C . 18595 1 138 . 1 1 33 33 PRO CA C 13 62.207 0.10 . 1 . . . . . 33 P CA . 18595 1 139 . 1 1 33 33 PRO CB C 13 32.252 0.10 . 1 . . . . . 33 P CB . 18595 1 140 . 1 1 33 33 PRO CG C 13 27.339 0.10 . 1 . . . . . 33 P CG . 18595 1 141 . 1 1 33 33 PRO CD C 13 51.116 0.10 . 1 . . . . . 33 P CD . 18595 1 142 . 1 1 33 33 PRO N N 15 140.125 0.10 . 1 . . . . . 33 P N . 18595 1 143 . 1 1 35 35 TYR C C 13 178.285 0.10 . 1 . . . . . 35 Y C . 18595 1 144 . 1 1 35 35 TYR CA C 13 62.541 0.10 . 1 . . . . . 35 Y CA . 18595 1 145 . 1 1 35 35 TYR CG C 13 129.881 0.10 . 1 . . . . . 35 Y CG . 18595 1 146 . 1 1 35 35 TYR N N 15 117.017 0.10 . 1 . . . . . 35 Y N . 18595 1 147 . 1 1 36 36 GLU C C 13 179.157 0.10 . 1 . . . . . 36 E C . 18595 1 148 . 1 1 36 36 GLU CA C 13 61.198 0.10 . 1 . . . . . 36 E CA . 18595 1 149 . 1 1 36 36 GLU CB C 13 29.812 0.10 . 1 . . . . . 36 E CB . 18595 1 150 . 1 1 36 36 GLU CG C 13 38.52 0.10 . 1 . . . . . 36 E CG . 18595 1 151 . 1 1 36 36 GLU CD C 13 182.687 0.10 . 1 . . . . . 36 E CD . 18595 1 152 . 1 1 36 36 GLU N N 15 117.437 0.10 . 1 . . . . . 36 E N . 18595 1 153 . 1 1 37 37 TYR C C 13 175.692 0.10 . 1 . . . . . 37 Y C . 18595 1 154 . 1 1 37 37 TYR CA C 13 63.543 0.10 . 1 . . . . . 37 Y CA . 18595 1 155 . 1 1 37 37 TYR CG C 13 131.821 0.10 . 1 . . . . . 37 Y CG . 18595 1 156 . 1 1 37 37 TYR N N 15 115.785 0.10 . 1 . . . . . 37 Y N . 18595 1 157 . 1 1 38 38 LEU C C 13 178.053 0.10 . 1 . . . . . 38 L C . 18595 1 158 . 1 1 38 38 LEU CA C 13 58.961 0.10 . 1 . . . . . 38 L CA . 18595 1 159 . 1 1 38 38 LEU CB C 13 41.632 0.10 . 1 . . . . . 38 L CB . 18595 1 160 . 1 1 38 38 LEU CG C 13 27.321 0.10 . 1 . . . . . 38 L CG . 18595 1 161 . 1 1 38 38 LEU CD1 C 13 24.329 0.10 . 2 . . . . . 38 L CD1 . 18595 1 162 . 1 1 38 38 LEU N N 15 121.177 0.10 . 1 . . . . . 38 L N . 18595 1 163 . 1 1 39 39 VAL C C 13 176.303 0.10 . 1 . . . . . 39 V C . 18595 1 164 . 1 1 39 39 VAL CA C 13 68.599 0.10 . 1 . . . . . 39 V CA . 18595 1 165 . 1 1 39 39 VAL CB C 13 32.818 0.10 . 1 . . . . . 39 V CB . 18595 1 166 . 1 1 39 39 VAL CG1 C 13 26.149 0.10 . 2 . . . . . 39 V CG1 . 18595 1 167 . 1 1 39 39 VAL CG2 C 13 23.586 0.10 . 2 . . . . . 39 V CG2 . 18595 1 168 . 1 1 39 39 VAL N N 15 118.308 0.10 . 1 . . . . . 39 V N . 18595 1 169 . 1 1 40 40 ALA C C 13 177.96 0.10 . 1 . . . . . 40 A C . 18595 1 170 . 1 1 40 40 ALA CA C 13 55.208 0.10 . 1 . . . . . 40 A CA . 18595 1 171 . 1 1 40 40 ALA CB C 13 19.008 0.10 . 1 . . . . . 40 A CB . 18595 1 172 . 1 1 40 40 ALA N N 15 119.038 0.10 . 1 . . . . . 40 A N . 18595 1 173 . 1 1 41 41 MET C C 13 176.612 0.10 . 1 . . . . . 41 M C . 18595 1 174 . 1 1 41 41 MET CA C 13 59.066 0.10 . 1 . . . . . 41 M CA . 18595 1 175 . 1 1 41 41 MET CB C 13 34.458 0.10 . 1 . . . . . 41 M CB . 18595 1 176 . 1 1 41 41 MET CG C 13 35.255 0.10 . 1 . . . . . 41 M CG . 18595 1 177 . 1 1 41 41 MET N N 15 110.98 0.10 . 1 . . . . . 41 M N . 18595 1 178 . 1 1 42 42 PHE C C 13 177.352 0.10 . 1 . . . . . 42 F C . 18595 1 179 . 1 1 42 42 PHE CA C 13 63.213 0.10 . 1 . . . . . 42 F CA . 18595 1 180 . 1 1 42 42 PHE CB C 13 40.391 0.10 . 1 . . . . . 42 F CB . 18595 1 181 . 1 1 42 42 PHE CG C 13 139.194 0.10 . 1 . . . . . 42 F CG . 18595 1 182 . 1 1 42 42 PHE N N 15 120.272 0.10 . 1 . . . . . 42 F N . 18595 1 183 . 1 1 43 43 ILE C C 13 174.623 0.10 . 1 . . . . . 43 I C . 18595 1 184 . 1 1 43 43 ILE CA C 13 67.801 0.10 . 1 . . . . . 43 I CA . 18595 1 185 . 1 1 43 43 ILE CB C 13 36.86 0.10 . 1 . . . . . 43 I CB . 18595 1 186 . 1 1 43 43 ILE CG1 C 13 31.335 0.10 . 1 . . . . . 43 I CG1 . 18595 1 187 . 1 1 43 43 ILE CG2 C 13 17.455 0.10 . 1 . . . . . 43 I CG2 . 18595 1 188 . 1 1 43 43 ILE CD1 C 13 14.508 0.10 . 1 . . . . . 43 I CD1 . 18595 1 189 . 1 1 43 43 ILE N N 15 115.4 0.10 . 1 . . . . . 43 I N . 18595 1 190 . 1 1 44 44 PRO C C 13 178.715 0.10 . 1 . . . . . 44 P C . 18595 1 191 . 1 1 44 44 PRO CA C 13 65.48 0.10 . 1 . . . . . 44 P CA . 18595 1 192 . 1 1 44 44 PRO CB C 13 32.601 0.10 . 1 . . . . . 44 P CB . 18595 1 193 . 1 1 44 44 PRO CG C 13 27.818 0.10 . 1 . . . . . 44 P CG . 18595 1 194 . 1 1 44 44 PRO CD C 13 51.341 0.10 . 1 . . . . . 44 P CD . 18595 1 195 . 1 1 44 44 PRO N N 15 132.319 0.10 . 1 . . . . . 44 P N . 18595 1 196 . 1 1 45 45 ILE C C 13 176.048 0.10 . 1 . . . . . 45 I C . 18595 1 197 . 1 1 45 45 ILE CA C 13 64.632 0.10 . 1 . . . . . 45 I CA . 18595 1 198 . 1 1 45 45 ILE CB C 13 37.107 0.10 . 1 . . . . . 45 I CB . 18595 1 199 . 1 1 45 45 ILE CG2 C 13 16.671 0.10 . 1 . . . . . 45 I CG2 . 18595 1 200 . 1 1 45 45 ILE N N 15 119.67 0.10 . 1 . . . . . 45 I N . 18595 1 201 . 1 1 46 46 TRP C C 13 176.955 0.10 . 1 . . . . . 46 W C . 18595 1 202 . 1 1 46 46 TRP CA C 13 60.969 0.10 . 1 . . . . . 46 W CA . 18595 1 203 . 1 1 46 46 TRP CB C 13 29.431 0.10 . 1 . . . . . 46 W CB . 18595 1 204 . 1 1 46 46 TRP CG C 13 111.94 0.10 . 1 . . . . . 46 W CG . 18595 1 205 . 1 1 46 46 TRP CD1 C 13 125.834 0.10 . 1 . . . . . 46 W CD1 . 18595 1 206 . 1 1 46 46 TRP CD2 C 13 129.855 0.10 . 1 . . . . . 46 W CD2 . 18595 1 207 . 1 1 46 46 TRP CE2 C 13 139.692 0.10 . 1 . . . . . 46 W CE2 . 18595 1 208 . 1 1 46 46 TRP CE3 C 13 120.2 0.10 . 1 . . . . . 46 W CE3 . 18595 1 209 . 1 1 46 46 TRP CZ2 C 13 113.6 0.10 . 1 . . . . . 46 W CZ2 . 18595 1 210 . 1 1 46 46 TRP CZ3 C 13 121.2 0.10 . 1 . . . . . 46 W CZ3 . 18595 1 211 . 1 1 46 46 TRP CH2 C 13 124.2 0.10 . 1 . . . . . 46 W CH2 . 18595 1 212 . 1 1 46 46 TRP N N 15 120.282 0.10 . 1 . . . . . 46 W N . 18595 1 213 . 1 1 46 46 TRP NE1 N 15 126.56 0.10 . 1 . . . . . 46 W NE1 . 18595 1 214 . 1 1 47 47 SER C C 13 177.744 0.10 . 1 . . . . . 47 S C . 18595 1 215 . 1 1 47 47 SER CA C 13 60.109 0.10 . 1 . . . . . 47 S CA . 18595 1 216 . 1 1 47 47 SER CB C 13 65.563 0.10 . 1 . . . . . 47 S CB . 18595 1 217 . 1 1 47 47 SER N N 15 106.592 0.10 . 1 . . . . . 47 S N . 18595 1 218 . 1 1 48 48 GLY C C 13 174.929 0.10 . 1 . . . . . 48 G C . 18595 1 219 . 1 1 48 48 GLY CA C 13 47.358 0.10 . 1 . . . . . 48 G CA . 18595 1 220 . 1 1 48 48 GLY N N 15 106.533 0.10 . 1 . . . . . 48 G N . 18595 1 221 . 1 1 49 49 LEU C C 13 178.389 0.10 . 1 . . . . . 49 L C . 18595 1 222 . 1 1 49 49 LEU CA C 13 58.189 0.10 . 1 . . . . . 49 L CA . 18595 1 223 . 1 1 49 49 LEU CB C 13 41.448 0.10 . 1 . . . . . 49 L CB . 18595 1 224 . 1 1 49 49 LEU CG C 13 27.158 0.10 . 1 . . . . . 49 L CG . 18595 1 225 . 1 1 49 49 LEU CD1 C 13 26.729 0.10 . 2 . . . . . 49 L CD1 . 18595 1 226 . 1 1 49 49 LEU CD2 C 13 22.895 0.10 . 2 . . . . . 49 L CD2 . 18595 1 227 . 1 1 49 49 LEU N N 15 121.611 0.10 . 1 . . . . . 49 L N . 18595 1 228 . 1 1 50 50 ALA C C 13 178.651 0.10 . 1 . . . . . 50 A C . 18595 1 229 . 1 1 50 50 ALA CA C 13 55.247 0.10 . 1 . . . . . 50 A CA . 18595 1 230 . 1 1 50 50 ALA CB C 13 18.107 0.10 . 1 . . . . . 50 A CB . 18595 1 231 . 1 1 50 50 ALA N N 15 121.25 0.10 . 1 . . . . . 50 A N . 18595 1 232 . 1 1 51 51 TYR C C 13 178.27 0.10 . 1 . . . . . 51 Y C . 18595 1 233 . 1 1 51 51 TYR CA C 13 60.64 0.10 . 1 . . . . . 51 Y CA . 18595 1 234 . 1 1 51 51 TYR CB C 13 38.409 0.10 . 1 . . . . . 51 Y CB . 18595 1 235 . 1 1 51 51 TYR CG C 13 133.456 0.10 . 1 . . . . . 51 Y CG . 18595 1 236 . 1 1 51 51 TYR CE1 C 13 119.067 0.10 . 3 . . . . . 51 Y CE1 . 18595 1 237 . 1 1 51 51 TYR CE2 C 13 115.317 0.10 . 3 . . . . . 51 Y CE2 . 18595 1 238 . 1 1 51 51 TYR CZ C 13 157.422 0.10 . 1 . . . . . 51 Y CZ . 18595 1 239 . 1 1 51 51 TYR N N 15 119.216 0.10 . 1 . . . . . 51 Y N . 18595 1 240 . 1 1 52 52 MET C C 13 177.514 0.10 . 1 . . . . . 52 M C . 18595 1 241 . 1 1 52 52 MET CA C 13 59.106 0.10 . 1 . . . . . 52 M CA . 18595 1 242 . 1 1 52 52 MET CB C 13 33.006 0.10 . 1 . . . . . 52 M CB . 18595 1 243 . 1 1 52 52 MET CG C 13 31.441 0.10 . 1 . . . . . 52 M CG . 18595 1 244 . 1 1 52 52 MET CE C 13 16.539 0.10 . 1 . . . . . 52 M CE . 18595 1 245 . 1 1 52 52 MET N N 15 126.341 0.10 . 1 . . . . . 52 M N . 18595 1 246 . 1 1 53 53 ALA C C 13 179.209 0.10 . 1 . . . . . 53 A C . 18595 1 247 . 1 1 53 53 ALA CA C 13 54.732 0.10 . 1 . . . . . 53 A CA . 18595 1 248 . 1 1 53 53 ALA CB C 13 17.457 0.10 . 1 . . . . . 53 A CB . 18595 1 249 . 1 1 53 53 ALA N N 15 118.51 0.10 . 1 . . . . . 53 A N . 18595 1 250 . 1 1 54 54 MET C C 13 180.652 0.10 . 1 . . . . . 54 M C . 18595 1 251 . 1 1 54 54 MET CA C 13 58.596 0.10 . 1 . . . . . 54 M CA . 18595 1 252 . 1 1 54 54 MET CB C 13 31.155 0.10 . 1 . . . . . 54 M CB . 18595 1 253 . 1 1 54 54 MET CG C 13 33.072 0.10 . 1 . . . . . 54 M CG . 18595 1 254 . 1 1 54 54 MET CE C 13 16.408 0.10 . 1 . . . . . 54 M CE . 18595 1 255 . 1 1 54 54 MET N N 15 113.969 0.10 . 1 . . . . . 54 M N . 18595 1 256 . 1 1 55 55 ALA C C 13 179.379 0.10 . 1 . . . . . 55 A C . 18595 1 257 . 1 1 55 55 ALA CA C 13 55.518 0.10 . 1 . . . . . 55 A CA . 18595 1 258 . 1 1 55 55 ALA CB C 13 15.494 0.10 . 1 . . . . . 55 A CB . 18595 1 259 . 1 1 55 55 ALA N N 15 127.284 0.10 . 1 . . . . . 55 A N . 18595 1 260 . 1 1 56 56 ILE C C 13 174.317 0.10 . 1 . . . . . 56 I C . 18595 1 261 . 1 1 56 56 ILE CA C 13 60.45 0.10 . 1 . . . . . 56 I CA . 18595 1 262 . 1 1 56 56 ILE CB C 13 35.987 0.10 . 1 . . . . . 56 I CB . 18595 1 263 . 1 1 56 56 ILE CG1 C 13 23.544 0.10 . 1 . . . . . 56 I CG1 . 18595 1 264 . 1 1 56 56 ILE CG2 C 13 18.631 0.10 . 1 . . . . . 56 I CG2 . 18595 1 265 . 1 1 56 56 ILE CD1 C 13 15.247 0.10 . 1 . . . . . 56 I CD1 . 18595 1 266 . 1 1 56 56 ILE N N 15 111.237 0.10 . 1 . . . . . 56 I N . 18595 1 267 . 1 1 57 57 ASP C C 13 174.942 0.10 . 1 . . . . . 57 D C . 18595 1 268 . 1 1 57 57 ASP CA C 13 56.473 0.10 . 1 . . . . . 57 D CA . 18595 1 269 . 1 1 57 57 ASP CB C 13 38.744 0.10 . 1 . . . . . 57 D CB . 18595 1 270 . 1 1 57 57 ASP CG C 13 181.6 0.10 . 1 . . . . . 57 D CG . 18595 1 271 . 1 1 57 57 ASP N N 15 115.353 0.10 . 1 . . . . . 57 D N . 18595 1 272 . 1 1 58 58 GLN C C 13 175.151 0.10 . 1 . . . . . 58 Q C . 18595 1 273 . 1 1 58 58 GLN CA C 13 54.679 0.10 . 1 . . . . . 58 Q CA . 18595 1 274 . 1 1 58 58 GLN CB C 13 31.789 0.10 . 1 . . . . . 58 Q CB . 18595 1 275 . 1 1 58 58 GLN CG C 13 35.317 0.10 . 1 . . . . . 58 Q CG . 18595 1 276 . 1 1 58 58 GLN CD C 13 176.252 0.10 . 1 . . . . . 58 Q CD . 18595 1 277 . 1 1 58 58 GLN N N 15 117.756 0.10 . 1 . . . . . 58 Q N . 18595 1 278 . 1 1 59 59 GLY C C 13 172.186 0.10 . 1 . . . . . 59 G C . 18595 1 279 . 1 1 59 59 GLY CA C 13 45.944 0.10 . 1 . . . . . 59 G CA . 18595 1 280 . 1 1 59 59 GLY N N 15 101.792 0.10 . 1 . . . . . 59 G N . 18595 1 281 . 1 1 60 60 LYS C C 13 175.261 0.10 . 1 . . . . . 60 K C . 18595 1 282 . 1 1 60 60 LYS CA C 13 53.813 0.10 . 1 . . . . . 60 K CA . 18595 1 283 . 1 1 60 60 LYS CB C 13 36.484 0.10 . 1 . . . . . 60 K CB . 18595 1 284 . 1 1 60 60 LYS CG C 13 24.216 0.10 . 1 . . . . . 60 K CG . 18595 1 285 . 1 1 60 60 LYS CD C 13 29.783 0.10 . 1 . . . . . 60 K CD . 18595 1 286 . 1 1 60 60 LYS CE C 13 41.787 0.10 . 1 . . . . . 60 K CE . 18595 1 287 . 1 1 60 60 LYS N N 15 114.135 0.10 . 1 . . . . . 60 K N . 18595 1 288 . 1 1 60 60 LYS NZ N 15 33.567 0.10 . 1 . . . . . 60 K NZ . 18595 1 289 . 1 1 61 61 VAL C C 13 171.607 0.10 . 1 . . . . . 61 V C . 18595 1 290 . 1 1 61 61 VAL CA C 13 60.028 0.10 . 1 . . . . . 61 V CA . 18595 1 291 . 1 1 61 61 VAL CB C 13 35.773 0.10 . 1 . . . . . 61 V CB . 18595 1 292 . 1 1 61 61 VAL CG1 C 13 21.262 0.10 . 2 . . . . . 61 V CG1 . 18595 1 293 . 1 1 61 61 VAL CG2 C 13 20.553 0.10 . 2 . . . . . 61 V CG2 . 18595 1 294 . 1 1 61 61 VAL N N 15 120.644 0.10 . 1 . . . . . 61 V N . 18595 1 295 . 1 1 62 62 GLU C C 13 175.737 0.10 . 1 . . . . . 62 E C . 18595 1 296 . 1 1 62 62 GLU CA C 13 56.66 0.10 . 1 . . . . . 62 E CA . 18595 1 297 . 1 1 62 62 GLU CB C 13 29.852 0.10 . 1 . . . . . 62 E CB . 18595 1 298 . 1 1 62 62 GLU CG C 13 36.314 0.10 . 1 . . . . . 62 E CG . 18595 1 299 . 1 1 62 62 GLU CD C 13 183.619 0.10 . 1 . . . . . 62 E CD . 18595 1 300 . 1 1 62 62 GLU N N 15 128.227 0.10 . 1 . . . . . 62 E N . 18595 1 301 . 1 1 63 63 ALA C C 13 176.594 0.10 . 1 . . . . . 63 A C . 18595 1 302 . 1 1 63 63 ALA CA C 13 52.22 0.10 . 1 . . . . . 63 A CA . 18595 1 303 . 1 1 63 63 ALA CB C 13 21.689 0.10 . 1 . . . . . 63 A CB . 18595 1 304 . 1 1 63 63 ALA N N 15 128.908 0.10 . 1 . . . . . 63 A N . 18595 1 305 . 1 1 64 64 ALA C C 13 177.736 0.10 . 1 . . . . . 64 A C . 18595 1 306 . 1 1 64 64 ALA CA C 13 52.9 0.10 . 1 . . . . . 64 A CA . 18595 1 307 . 1 1 64 64 ALA CB C 13 17.936 0.10 . 1 . . . . . 64 A CB . 18595 1 308 . 1 1 64 64 ALA N N 15 127.42 0.10 . 1 . . . . . 64 A N . 18595 1 309 . 1 1 65 65 GLY C C 13 173.237 0.10 . 1 . . . . . 65 G C . 18595 1 310 . 1 1 65 65 GLY CA C 13 46.045 0.10 . 1 . . . . . 65 G CA . 18595 1 311 . 1 1 65 65 GLY N N 15 103.837 0.10 . 1 . . . . . 65 G N . 18595 1 312 . 1 1 66 66 GLN C C 13 172.232 0.10 . 1 . . . . . 66 Q C . 18595 1 313 . 1 1 66 66 GLN CA C 13 52.921 0.10 . 1 . . . . . 66 Q CA . 18595 1 314 . 1 1 66 66 GLN CB C 13 29.887 0.10 . 1 . . . . . 66 Q CB . 18595 1 315 . 1 1 66 66 GLN CG C 13 29.841 0.10 . 1 . . . . . 66 Q CG . 18595 1 316 . 1 1 66 66 GLN CD C 13 179.267 0.10 . 1 . . . . . 66 Q CD . 18595 1 317 . 1 1 66 66 GLN N N 15 118.078 0.10 . 1 . . . . . 66 Q N . 18595 1 318 . 1 1 67 67 ILE C C 13 176.605 0.10 . 1 . . . . . 67 I C . 18595 1 319 . 1 1 67 67 ILE CA C 13 59.131 0.10 . 1 . . . . . 67 I CA . 18595 1 320 . 1 1 67 67 ILE CB C 13 36.124 0.10 . 1 . . . . . 67 I CB . 18595 1 321 . 1 1 67 67 ILE CG1 C 13 26.178 0.10 . 1 . . . . . 67 I CG1 . 18595 1 322 . 1 1 67 67 ILE CG2 C 13 18.21 0.10 . 1 . . . . . 67 I CG2 . 18595 1 323 . 1 1 67 67 ILE CD1 C 13 10.032 0.10 . 1 . . . . . 67 I CD1 . 18595 1 324 . 1 1 67 67 ILE N N 15 119.292 0.10 . 1 . . . . . 67 I N . 18595 1 325 . 1 1 68 68 ALA C C 13 177.226 0.10 . 1 . . . . . 68 A C . 18595 1 326 . 1 1 68 68 ALA CA C 13 50.905 0.10 . 1 . . . . . 68 A CA . 18595 1 327 . 1 1 68 68 ALA CB C 13 17.626 0.10 . 1 . . . . . 68 A CB . 18595 1 328 . 1 1 68 68 ALA N N 15 134.236 0.10 . 1 . . . . . 68 A N . 18595 1 329 . 1 1 69 69 HIS C C 13 176.162 0.10 . 1 . . . . . 69 H C . 18595 1 330 . 1 1 69 69 HIS CA C 13 55.178 0.10 . 1 . . . . . 69 H CA . 18595 1 331 . 1 1 69 69 HIS CB C 13 25.345 0.10 . 1 . . . . . 69 H CB . 18595 1 332 . 1 1 69 69 HIS CG C 13 128.522 0.10 . 1 . . . . . 69 H CG . 18595 1 333 . 1 1 69 69 HIS CD2 C 13 127.358 0.10 . 1 . . . . . 69 H CD2 . 18595 1 334 . 1 1 69 69 HIS CE1 C 13 138.842 0.10 . 1 . . . . . 69 H CE1 . 18595 1 335 . 1 1 69 69 HIS N N 15 129.35 0.10 . 1 . . . . . 69 H N . 18595 1 336 . 1 1 69 69 HIS ND1 N 15 162.13 0.10 . 1 . . . . . 69 H ND1 . 18595 1 337 . 1 1 70 70 TYR C C 13 177.352 0.10 . 1 . . . . . 70 Y C . 18595 1 338 . 1 1 70 70 TYR CA C 13 59.946 0.10 . 1 . . . . . 70 Y CA . 18595 1 339 . 1 1 70 70 TYR CB C 13 37.009 0.10 . 1 . . . . . 70 Y CB . 18595 1 340 . 1 1 70 70 TYR CG C 13 126.659 0.10 . 1 . . . . . 70 Y CG . 18595 1 341 . 1 1 70 70 TYR CZ C 13 159.825 0.10 . 1 . . . . . 70 Y CZ . 18595 1 342 . 1 1 70 70 TYR N N 15 121.565 0.10 . 1 . . . . . 70 Y N . 18595 1 343 . 1 1 71 71 ALA C C 13 178.847 0.10 . 1 . . . . . 71 A C . 18595 1 344 . 1 1 71 71 ALA CA C 13 55.287 0.10 . 1 . . . . . 71 A CA . 18595 1 345 . 1 1 71 71 ALA CB C 13 17.237 0.10 . 1 . . . . . 71 A CB . 18595 1 346 . 1 1 71 71 ALA N N 15 125.032 0.10 . 1 . . . . . 71 A N . 18595 1 347 . 1 1 72 72 ARG C C 13 175.96 0.10 . 1 . . . . . 72 R C . 18595 1 348 . 1 1 72 72 ARG CA C 13 59.428 0.10 . 1 . . . . . 72 R CA . 18595 1 349 . 1 1 72 72 ARG CB C 13 28.78 0.10 . 1 . . . . . 72 R CB . 18595 1 350 . 1 1 72 72 ARG CG C 13 27.76 0.10 . 1 . . . . . 72 R CG . 18595 1 351 . 1 1 72 72 ARG CD C 13 43.839 0.10 . 1 . . . . . 72 R CD . 18595 1 352 . 1 1 72 72 ARG CZ C 13 159.353 0.10 . 1 . . . . . 72 R CZ . 18595 1 353 . 1 1 72 72 ARG N N 15 113.974 0.10 . 1 . . . . . 72 R N . 18595 1 354 . 1 1 72 72 ARG NE N 15 83.498 0.10 . 1 . . . . . 72 R NE . 18595 1 355 . 1 1 72 72 ARG NH1 N 15 77.3 0.10 . 2 . . . . . 72 R NH1 . 18595 1 356 . 1 1 72 72 ARG NH2 N 15 69.7 0.10 . 2 . . . . . 72 R NH2 . 18595 1 357 . 1 1 73 73 TYR C C 13 177.334 0.10 . 1 . . . . . 73 Y C . 18595 1 358 . 1 1 73 73 TYR CA C 13 59.768 0.10 . 1 . . . . . 73 Y CA . 18595 1 359 . 1 1 73 73 TYR CB C 13 37.946 0.10 . 1 . . . . . 73 Y CB . 18595 1 360 . 1 1 73 73 TYR CG C 13 128.429 0.10 . 1 . . . . . 73 Y CG . 18595 1 361 . 1 1 73 73 TYR CZ C 13 158.29 0.10 . 1 . . . . . 73 Y CZ . 18595 1 362 . 1 1 73 73 TYR N N 15 112.787 0.10 . 1 . . . . . 73 Y N . 18595 1 363 . 1 1 74 74 ILE C C 13 177.261 0.10 . 1 . . . . . 74 I C . 18595 1 364 . 1 1 74 74 ILE CA C 13 65.976 0.10 . 1 . . . . . 74 I CA . 18595 1 365 . 1 1 74 74 ILE CB C 13 37.727 0.10 . 1 . . . . . 74 I CB . 18595 1 366 . 1 1 74 74 ILE CG1 C 13 29.245 0.10 . 1 . . . . . 74 I CG1 . 18595 1 367 . 1 1 74 74 ILE CG2 C 13 17.453 0.10 . 1 . . . . . 74 I CG2 . 18595 1 368 . 1 1 74 74 ILE CD1 C 13 14.488 0.10 . 1 . . . . . 74 I CD1 . 18595 1 369 . 1 1 74 74 ILE N N 15 120.035 0.10 . 1 . . . . . 74 I N . 18595 1 370 . 1 1 75 75 ASP C C 13 178.157 0.10 . 1 . . . . . 75 D C . 18595 1 371 . 1 1 75 75 ASP CA C 13 56.098 0.10 . 1 . . . . . 75 D CA . 18595 1 372 . 1 1 75 75 ASP CB C 13 40.89 0.10 . 1 . . . . . 75 D CB . 18595 1 373 . 1 1 75 75 ASP CG C 13 178.561 0.10 . 1 . . . . . 75 D CG . 18595 1 374 . 1 1 75 75 ASP N N 15 116.182 0.10 . 1 . . . . . 75 D N . 18595 1 375 . 1 1 76 76 TRP C C 13 179.616 0.10 . 1 . . . . . 76 W C . 18595 1 376 . 1 1 76 76 TRP CA C 13 56.476 0.10 . 1 . . . . . 76 W CA . 18595 1 377 . 1 1 76 76 TRP CB C 13 30.057 0.10 . 1 . . . . . 76 W CB . 18595 1 378 . 1 1 76 76 TRP CG C 13 113.544 0.10 . 1 . . . . . 76 W CG . 18595 1 379 . 1 1 76 76 TRP CD1 C 13 124.478 0.10 . 1 . . . . . 76 W CD1 . 18595 1 380 . 1 1 76 76 TRP CD2 C 13 130.619 0.10 . 1 . . . . . 76 W CD2 . 18595 1 381 . 1 1 76 76 TRP CE2 C 13 139.2 0.10 . 1 . . . . . 76 W CE2 . 18595 1 382 . 1 1 76 76 TRP CE3 C 13 120 0.10 . 1 . . . . . 76 W CE3 . 18595 1 383 . 1 1 76 76 TRP CZ2 C 13 112.9 0.10 . 1 . . . . . 76 W CZ2 . 18595 1 384 . 1 1 76 76 TRP CZ3 C 13 121.928 0.10 . 1 . . . . . 76 W CZ3 . 18595 1 385 . 1 1 76 76 TRP CH2 C 13 125.6 0.10 . 1 . . . . . 76 W CH2 . 18595 1 386 . 1 1 76 76 TRP N N 15 114.767 0.10 . 1 . . . . . 76 W N . 18595 1 387 . 1 1 76 76 TRP NE1 N 15 128.1 0.10 . 1 . . . . . 76 W NE1 . 18595 1 388 . 1 1 77 77 MET C C 13 172.726 0.10 . 1 . . . . . 77 M C . 18595 1 389 . 1 1 77 77 MET CA C 13 58.004 0.10 . 1 . . . . . 77 M CA . 18595 1 390 . 1 1 77 77 MET CB C 13 31.371 0.10 . 1 . . . . . 77 M CB . 18595 1 391 . 1 1 77 77 MET CG C 13 32.121 0.10 . 1 . . . . . 77 M CG . 18595 1 392 . 1 1 77 77 MET CE C 13 16.896 0.10 . 1 . . . . . 77 M CE . 18595 1 393 . 1 1 77 77 MET N N 15 125.517 0.10 . 1 . . . . . 77 M N . 18595 1 394 . 1 1 78 78 VAL C C 13 178.683 0.10 . 1 . . . . . 78 V C . 18595 1 395 . 1 1 78 78 VAL CA C 13 63.345 0.10 . 1 . . . . . 78 V CA . 18595 1 396 . 1 1 78 78 VAL CB C 13 34.442 0.10 . 1 . . . . . 78 V CB . 18595 1 397 . 1 1 78 78 VAL CG1 C 13 22.294 0.10 . 2 . . . . . 78 V CG1 . 18595 1 398 . 1 1 78 78 VAL CG2 C 13 21.065 0.10 . 2 . . . . . 78 V CG2 . 18595 1 399 . 1 1 78 78 VAL N N 15 109.696 0.10 . 1 . . . . . 78 V N . 18595 1 400 . 1 1 79 79 THR C C 13 177.621 0.10 . 1 . . . . . 79 T C . 18595 1 401 . 1 1 79 79 THR CA C 13 66.057 0.10 . 1 . . . . . 79 T CA . 18595 1 402 . 1 1 79 79 THR CB C 13 70.272 0.10 . 1 . . . . . 79 T CB . 18595 1 403 . 1 1 79 79 THR CG2 C 13 24.383 0.10 . 1 . . . . . 79 T CG2 . 18595 1 404 . 1 1 79 79 THR N N 15 107.485 0.10 . 1 . . . . . 79 T N . 18595 1 405 . 1 1 80 80 THR C C 13 176.47 0.10 . 1 . . . . . 80 T C . 18595 1 406 . 1 1 80 80 THR CA C 13 66.875 0.10 . 1 . . . . . 80 T CA . 18595 1 407 . 1 1 80 80 THR CB C 13 67.977 0.10 . 1 . . . . . 80 T CB . 18595 1 408 . 1 1 80 80 THR CG2 C 13 23.553 0.10 . 1 . . . . . 80 T CG2 . 18595 1 409 . 1 1 80 80 THR N N 15 112.89 0.10 . 1 . . . . . 80 T N . 18595 1 410 . 1 1 81 81 PRO C C 13 178.91 0.10 . 1 . . . . . 81 P C . 18595 1 411 . 1 1 81 81 PRO CA C 13 66.82 0.10 . 1 . . . . . 81 P CA . 18595 1 412 . 1 1 81 81 PRO CB C 13 31.855 0.10 . 1 . . . . . 81 P CB . 18595 1 413 . 1 1 81 81 PRO CG C 13 28.968 0.10 . 1 . . . . . 81 P CG . 18595 1 414 . 1 1 81 81 PRO CD C 13 50.933 0.10 . 1 . . . . . 81 P CD . 18595 1 415 . 1 1 81 81 PRO N N 15 137.748 0.10 . 1 . . . . . 81 P N . 18595 1 416 . 1 1 82 82 LEU C C 13 177.731 0.10 . 1 . . . . . 82 L C . 18595 1 417 . 1 1 82 82 LEU CA C 13 57.674 0.10 . 1 . . . . . 82 L CA . 18595 1 418 . 1 1 82 82 LEU CB C 13 40.986 0.10 . 1 . . . . . 82 L CB . 18595 1 419 . 1 1 82 82 LEU CG C 13 26.207 0.10 . 1 . . . . . 82 L CG . 18595 1 420 . 1 1 82 82 LEU CD1 C 13 27.013 0.10 . 2 . . . . . 82 L CD1 . 18595 1 421 . 1 1 82 82 LEU CD2 C 13 22.218 0.10 . 2 . . . . . 82 L CD2 . 18595 1 422 . 1 1 82 82 LEU N N 15 113.72 0.10 . 1 . . . . . 82 L N . 18595 1 423 . 1 1 83 83 LEU C C 13 179.364 0.10 . 1 . . . . . 83 L C . 18595 1 424 . 1 1 83 83 LEU CA C 13 58.087 0.10 . 1 . . . . . 83 L CA . 18595 1 425 . 1 1 83 83 LEU CB C 13 42.886 0.10 . 1 . . . . . 83 L CB . 18595 1 426 . 1 1 83 83 LEU CG C 13 28.003 0.10 . 1 . . . . . 83 L CG . 18595 1 427 . 1 1 83 83 LEU CD1 C 13 27.668 0.10 . 2 . . . . . 83 L CD1 . 18595 1 428 . 1 1 83 83 LEU CD2 C 13 24.305 0.10 . 2 . . . . . 83 L CD2 . 18595 1 429 . 1 1 83 83 LEU N N 15 121.075 0.10 . 1 . . . . . 83 L N . 18595 1 430 . 1 1 84 84 LEU C C 13 179.364 0.10 . 1 . . . . . 84 L C . 18595 1 431 . 1 1 84 84 LEU CA C 13 57.802 0.10 . 1 . . . . . 84 L CA . 18595 1 432 . 1 1 84 84 LEU CB C 13 41.724 0.10 . 1 . . . . . 84 L CB . 18595 1 433 . 1 1 84 84 LEU CG C 13 27.892 0.10 . 1 . . . . . 84 L CG . 18595 1 434 . 1 1 84 84 LEU CD1 C 13 27.701 0.10 . 2 . . . . . 84 L CD1 . 18595 1 435 . 1 1 84 84 LEU CD2 C 13 23.79 0.10 . 2 . . . . . 84 L CD2 . 18595 1 436 . 1 1 84 84 LEU N N 15 118.647 0.10 . 1 . . . . . 84 L N . 18595 1 437 . 1 1 85 85 LEU C C 13 176.885 0.10 . 1 . . . . . 85 L C . 18595 1 438 . 1 1 85 85 LEU CA C 13 58.172 0.10 . 1 . . . . . 85 L CA . 18595 1 439 . 1 1 85 85 LEU CB C 13 40.367 0.10 . 1 . . . . . 85 L CB . 18595 1 440 . 1 1 85 85 LEU CG C 13 24.949 0.10 . 1 . . . . . 85 L CG . 18595 1 441 . 1 1 85 85 LEU CD1 C 13 22.306 0.10 . 2 . . . . . 85 L CD1 . 18595 1 442 . 1 1 85 85 LEU CD2 C 13 27.311 0.10 . 2 . . . . . 85 L CD2 . 18595 1 443 . 1 1 85 85 LEU N N 15 127.093 0.10 . 1 . . . . . 85 L N . 18595 1 444 . 1 1 86 86 SER C C 13 178.535 0.10 . 1 . . . . . 86 S C . 18595 1 445 . 1 1 86 86 SER CA C 13 64.323 0.10 . 1 . . . . . 86 S CA . 18595 1 446 . 1 1 86 86 SER CB C 13 63.435 0.10 . 1 . . . . . 86 S CB . 18595 1 447 . 1 1 86 86 SER N N 15 116.189 0.10 . 1 . . . . . 86 S N . 18595 1 448 . 1 1 87 87 LEU C C 13 178.304 0.10 . 1 . . . . . 87 L C . 18595 1 449 . 1 1 87 87 LEU CA C 13 58.019 0.10 . 1 . . . . . 87 L CA . 18595 1 450 . 1 1 87 87 LEU CB C 13 41.951 0.10 . 1 . . . . . 87 L CB . 18595 1 451 . 1 1 87 87 LEU CG C 13 26.192 0.10 . 1 . . . . . 87 L CG . 18595 1 452 . 1 1 87 87 LEU CD1 C 13 24.48 0.10 . 2 . . . . . 87 L CD1 . 18595 1 453 . 1 1 87 87 LEU CD2 C 13 22.35 0.10 . 2 . . . . . 87 L CD2 . 18595 1 454 . 1 1 87 87 LEU N N 15 122.277 0.10 . 1 . . . . . 87 L N . 18595 1 455 . 1 1 88 88 SER C C 13 176.409 0.10 . 1 . . . . . 88 S C . 18595 1 456 . 1 1 88 88 SER CA C 13 62.829 0.10 . 1 . . . . . 88 S CA . 18595 1 457 . 1 1 88 88 SER CB C 13 62.898 0.10 . 1 . . . . . 88 S CB . 18595 1 458 . 1 1 88 88 SER N N 15 117.029 0.10 . 1 . . . . . 88 S N . 18595 1 459 . 1 1 89 89 TRP C C 13 180.02 0.10 . 1 . . . . . 89 W C . 18595 1 460 . 1 1 89 89 TRP CA C 13 58.481 0.10 . 1 . . . . . 89 W CA . 18595 1 461 . 1 1 89 89 TRP CB C 13 28.298 0.10 . 1 . . . . . 89 W CB . 18595 1 462 . 1 1 89 89 TRP CG C 13 115.33 0.10 . 1 . . . . . 89 W CG . 18595 1 463 . 1 1 89 89 TRP CD1 C 13 127.165 0.10 . 1 . . . . . 89 W CD1 . 18595 1 464 . 1 1 89 89 TRP CD2 C 13 130.261 0.10 . 1 . . . . . 89 W CD2 . 18595 1 465 . 1 1 89 89 TRP CE2 C 13 139.2 0.10 . 1 . . . . . 89 W CE2 . 18595 1 466 . 1 1 89 89 TRP CE3 C 13 120.2 0.10 . 1 . . . . . 89 W CE3 . 18595 1 467 . 1 1 89 89 TRP CZ2 C 13 114.7 0.10 . 1 . . . . . 89 W CZ2 . 18595 1 468 . 1 1 89 89 TRP CZ3 C 13 121.2 0.10 . 1 . . . . . 89 W CZ3 . 18595 1 469 . 1 1 89 89 TRP CH2 C 13 124.5 0.10 . 1 . . . . . 89 W CH2 . 18595 1 470 . 1 1 89 89 TRP N N 15 122.897 0.10 . 1 . . . . . 89 W N . 18595 1 471 . 1 1 90 90 THR C C 13 175.236 0.10 . 1 . . . . . 90 T C . 18595 1 472 . 1 1 90 90 THR CA C 13 69.134 0.10 . 1 . . . . . 90 T CA . 18595 1 473 . 1 1 90 90 THR CB C 13 66.524 0.10 . 1 . . . . . 90 T CB . 18595 1 474 . 1 1 90 90 THR CG2 C 13 21.513 0.10 . 1 . . . . . 90 T CG2 . 18595 1 475 . 1 1 90 90 THR N N 15 119.066 0.10 . 1 . . . . . 90 T N . 18595 1 476 . 1 1 91 91 ALA C C 13 177.259 0.10 . 1 . . . . . 91 A C . 18595 1 477 . 1 1 91 91 ALA CA C 13 54.066 0.10 . 1 . . . . . 91 A CA . 18595 1 478 . 1 1 91 91 ALA CB C 13 18.785 0.10 . 1 . . . . . 91 A CB . 18595 1 479 . 1 1 91 91 ALA N N 15 120.364 0.10 . 1 . . . . . 91 A N . 18595 1 480 . 1 1 92 92 MET C C 13 176.794 0.10 . 1 . . . . . 92 M C . 18595 1 481 . 1 1 92 92 MET CA C 13 53.35 0.10 . 1 . . . . . 92 M CA . 18595 1 482 . 1 1 92 92 MET CB C 13 33.194 0.10 . 1 . . . . . 92 M CB . 18595 1 483 . 1 1 92 92 MET CG C 13 34.106 0.10 . 1 . . . . . 92 M CG . 18595 1 484 . 1 1 92 92 MET CE C 13 17.235 0.10 . 1 . . . . . 92 M CE . 18595 1 485 . 1 1 92 92 MET N N 15 108.929 0.10 . 1 . . . . . 92 M N . 18595 1 486 . 1 1 93 93 GLN C C 13 177.828 0.10 . 1 . . . . . 93 Q C . 18595 1 487 . 1 1 93 93 GLN CA C 13 60.326 0.10 . 1 . . . . . 93 Q CA . 18595 1 488 . 1 1 93 93 GLN CB C 13 28.755 0.10 . 1 . . . . . 93 Q CB . 18595 1 489 . 1 1 93 93 GLN CG C 13 33.068 0.10 . 1 . . . . . 93 Q CG . 18595 1 490 . 1 1 93 93 GLN N N 15 122.373 0.10 . 1 . . . . . 93 Q N . 18595 1 491 . 1 1 94 94 PHE C C 13 175.52 0.10 . 1 . . . . . 94 F C . 18595 1 492 . 1 1 94 94 PHE CA C 13 55.948 0.10 . 1 . . . . . 94 F CA . 18595 1 493 . 1 1 94 94 PHE CG C 13 140.758 0.10 . 1 . . . . . 94 F CG . 18595 1 494 . 1 1 94 94 PHE N N 15 112.761 0.10 . 1 . . . . . 94 F N . 18595 1 495 . 1 1 95 95 ILE C C 13 174.599 0.10 . 1 . . . . . 95 I C . 18595 1 496 . 1 1 95 95 ILE CA C 13 59.343 0.10 . 1 . . . . . 95 I CA . 18595 1 497 . 1 1 95 95 ILE CB C 13 42.149 0.10 . 1 . . . . . 95 I CB . 18595 1 498 . 1 1 95 95 ILE CG1 C 13 24.322 0.10 . 1 . . . . . 95 I CG1 . 18595 1 499 . 1 1 95 95 ILE CG2 C 13 17.348 0.10 . 1 . . . . . 95 I CG2 . 18595 1 500 . 1 1 95 95 ILE CD1 C 13 15.743 0.10 . 1 . . . . . 95 I CD1 . 18595 1 501 . 1 1 95 95 ILE N N 15 111.127 0.10 . 1 . . . . . 95 I N . 18595 1 502 . 1 1 96 96 LYS C C 13 176.752 0.10 . 1 . . . . . 96 K C . 18595 1 503 . 1 1 96 96 LYS CA C 13 56.545 0.10 . 1 . . . . . 96 K CA . 18595 1 504 . 1 1 96 96 LYS CB C 13 32.752 0.10 . 1 . . . . . 96 K CB . 18595 1 505 . 1 1 96 96 LYS N N 15 119.705 0.10 . 1 . . . . . 96 K N . 18595 1 506 . 1 1 100 100 THR C C 13 175.629 0.10 . 1 . . . . . 100 T C . 18595 1 507 . 1 1 100 100 THR CA C 13 64.771 0.10 . 1 . . . . . 100 T CA . 18595 1 508 . 1 1 100 100 THR CB C 13 70.125 0.10 . 1 . . . . . 100 T CB . 18595 1 509 . 1 1 100 100 THR CG2 C 13 21.958 0.10 . 1 . . . . . 100 T CG2 . 18595 1 510 . 1 1 100 100 THR N N 15 109.532 0.10 . 1 . . . . . 100 T N . 18595 1 511 . 1 1 101 101 LEU C C 13 178.3 0.10 . 1 . . . . . 101 L C . 18595 1 512 . 1 1 101 101 LEU CA C 13 58.069 0.10 . 1 . . . . . 101 L CA . 18595 1 513 . 1 1 101 101 LEU CB C 13 41.795 0.10 . 1 . . . . . 101 L CB . 18595 1 514 . 1 1 101 101 LEU CG C 13 27.313 0.10 . 1 . . . . . 101 L CG . 18595 1 515 . 1 1 101 101 LEU CD1 C 13 22.7 0.10 . 2 . . . . . 101 L CD1 . 18595 1 516 . 1 1 101 101 LEU CD2 C 13 26.071 0.10 . 2 . . . . . 101 L CD2 . 18595 1 517 . 1 1 101 101 LEU N N 15 123.805 0.10 . 1 . . . . . 101 L N . 18595 1 518 . 1 1 102 102 ILE C C 13 177.763 0.10 . 1 . . . . . 102 I C . 18595 1 519 . 1 1 102 102 ILE CA C 13 66.447 0.10 . 1 . . . . . 102 I CA . 18595 1 520 . 1 1 102 102 ILE CB C 13 38.146 0.10 . 1 . . . . . 102 I CB . 18595 1 521 . 1 1 102 102 ILE CG1 C 13 29.565 0.10 . 1 . . . . . 102 I CG1 . 18595 1 522 . 1 1 102 102 ILE CG2 C 13 18.896 0.10 . 1 . . . . . 102 I CG2 . 18595 1 523 . 1 1 102 102 ILE CD1 C 13 13.243 0.10 . 1 . . . . . 102 I CD1 . 18595 1 524 . 1 1 102 102 ILE N N 15 117.193 0.10 . 1 . . . . . 102 I N . 18595 1 525 . 1 1 103 103 GLY C C 13 176.305 0.10 . 1 . . . . . 103 G C . 18595 1 526 . 1 1 103 103 GLY CA C 13 47.455 0.10 . 1 . . . . . 103 G CA . 18595 1 527 . 1 1 103 103 GLY N N 15 107.603 0.10 . 1 . . . . . 103 G N . 18595 1 528 . 1 1 104 104 PHE C C 13 175.495 0.10 . 1 . . . . . 104 F C . 18595 1 529 . 1 1 104 104 PHE CA C 13 59.66 0.10 . 1 . . . . . 104 F CA . 18595 1 530 . 1 1 104 104 PHE CG C 13 137.978 0.10 . 1 . . . . . 104 F CG . 18595 1 531 . 1 1 104 104 PHE N N 15 125.5 0.10 . 1 . . . . . 104 F N . 18595 1 532 . 1 1 105 105 LEU C C 13 177.719 0.10 . 1 . . . . . 105 L C . 18595 1 533 . 1 1 105 105 LEU CA C 13 57.876 0.10 . 1 . . . . . 105 L CA . 18595 1 534 . 1 1 105 105 LEU CB C 13 41.78 0.10 . 1 . . . . . 105 L CB . 18595 1 535 . 1 1 105 105 LEU CG C 13 26.127 0.10 . 1 . . . . . 105 L CG . 18595 1 536 . 1 1 105 105 LEU CD1 C 13 27.294 0.10 . 2 . . . . . 105 L CD1 . 18595 1 537 . 1 1 105 105 LEU CD2 C 13 23.791 0.10 . 2 . . . . . 105 L CD2 . 18595 1 538 . 1 1 105 105 LEU N N 15 123.364 0.10 . 1 . . . . . 105 L N . 18595 1 539 . 1 1 106 106 MET C C 13 177.268 0.10 . 1 . . . . . 106 M C . 18595 1 540 . 1 1 106 106 MET CA C 13 61.287 0.10 . 1 . . . . . 106 M CA . 18595 1 541 . 1 1 106 106 MET CB C 13 35.007 0.10 . 1 . . . . . 106 M CB . 18595 1 542 . 1 1 106 106 MET CG C 13 31.521 0.10 . 1 . . . . . 106 M CG . 18595 1 543 . 1 1 106 106 MET CE C 13 16.586 0.10 . 1 . . . . . 106 M CE . 18595 1 544 . 1 1 106 106 MET N N 15 113.929 0.10 . 1 . . . . . 106 M N . 18595 1 545 . 1 1 107 107 SER C C 13 176.735 0.10 . 1 . . . . . 107 S C . 18595 1 546 . 1 1 107 107 SER CA C 13 62.365 0.10 . 1 . . . . . 107 S CA . 18595 1 547 . 1 1 107 107 SER CB C 13 62.544 0.10 . 1 . . . . . 107 S CB . 18595 1 548 . 1 1 107 107 SER N N 15 111.83 0.10 . 1 . . . . . 107 S N . 18595 1 549 . 1 1 108 108 THR C C 13 176.996 0.10 . 1 . . . . . 108 T C . 18595 1 550 . 1 1 108 108 THR CA C 13 68.297 0.10 . 1 . . . . . 108 T CA . 18595 1 551 . 1 1 108 108 THR CB C 13 67.534 0.10 . 1 . . . . . 108 T CB . 18595 1 552 . 1 1 108 108 THR CG2 C 13 23.025 0.10 . 1 . . . . . 108 T CG2 . 18595 1 553 . 1 1 108 108 THR N N 15 121.298 0.10 . 1 . . . . . 108 T N . 18595 1 554 . 1 1 109 109 GLN C C 13 178.243 0.10 . 1 . . . . . 109 Q C . 18595 1 555 . 1 1 109 109 GLN CA C 13 57.287 0.10 . 1 . . . . . 109 Q CA . 18595 1 556 . 1 1 109 109 GLN CB C 13 26.745 0.10 . 1 . . . . . 109 Q CB . 18595 1 557 . 1 1 109 109 GLN CG C 13 31.256 0.10 . 1 . . . . . 109 Q CG . 18595 1 558 . 1 1 109 109 GLN CD C 13 174.881 0.10 . 1 . . . . . 109 Q CD . 18595 1 559 . 1 1 109 109 GLN N N 15 122.091 0.10 . 1 . . . . . 109 Q N . 18595 1 560 . 1 1 109 109 GLN NE2 N 15 98.301 0.10 . 1 . . . . . 109 Q NE2 . 18595 1 561 . 1 1 110 110 ILE C C 13 180.368 0.10 . 1 . . . . . 110 I C . 18595 1 562 . 1 1 110 110 ILE CA C 13 64.013 0.10 . 1 . . . . . 110 I CA . 18595 1 563 . 1 1 110 110 ILE CB C 13 36.336 0.10 . 1 . . . . . 110 I CB . 18595 1 564 . 1 1 110 110 ILE CG1 C 13 28.556 0.10 . 1 . . . . . 110 I CG1 . 18595 1 565 . 1 1 110 110 ILE CG2 C 13 17.366 0.10 . 1 . . . . . 110 I CG2 . 18595 1 566 . 1 1 110 110 ILE N N 15 120.374 0.10 . 1 . . . . . 110 I N . 18595 1 567 . 1 1 111 111 VAL C C 13 178.443 0.10 . 1 . . . . . 111 V C . 18595 1 568 . 1 1 111 111 VAL CA C 13 67.659 0.10 . 1 . . . . . 111 V CA . 18595 1 569 . 1 1 111 111 VAL CB C 13 30.771 0.10 . 1 . . . . . 111 V CB . 18595 1 570 . 1 1 111 111 VAL CG1 C 13 22.592 0.10 . 2 . . . . . 111 V CG1 . 18595 1 571 . 1 1 111 111 VAL CG2 C 13 21.269 0.10 . 2 . . . . . 111 V CG2 . 18595 1 572 . 1 1 111 111 VAL N N 15 123.47 0.10 . 1 . . . . . 111 V N . 18595 1 573 . 1 1 112 112 VAL C C 13 177.094 0.10 . 1 . . . . . 112 V C . 18595 1 574 . 1 1 112 112 VAL CA C 13 67.403 0.10 . 1 . . . . . 112 V CA . 18595 1 575 . 1 1 112 112 VAL CB C 13 31.732 0.10 . 1 . . . . . 112 V CB . 18595 1 576 . 1 1 112 112 VAL CG1 C 13 22.138 0.10 . 2 . . . . . 112 V CG1 . 18595 1 577 . 1 1 112 112 VAL CG2 C 13 21.827 0.10 . 2 . . . . . 112 V CG2 . 18595 1 578 . 1 1 112 112 VAL N N 15 121.661 0.10 . 1 . . . . . 112 V N . 18595 1 579 . 1 1 113 113 ILE C C 13 178.276 0.10 . 1 . . . . . 113 I C . 18595 1 580 . 1 1 113 113 ILE CA C 13 61.534 0.10 . 1 . . . . . 113 I CA . 18595 1 581 . 1 1 113 113 ILE CB C 13 34.63 0.10 . 1 . . . . . 113 I CB . 18595 1 582 . 1 1 113 113 ILE CG1 C 13 25.553 0.10 . 1 . . . . . 113 I CG1 . 18595 1 583 . 1 1 113 113 ILE CG2 C 13 20.496 0.10 . 1 . . . . . 113 I CG2 . 18595 1 584 . 1 1 113 113 ILE CD1 C 13 8.77 0.10 . 1 . . . . . 113 I CD1 . 18595 1 585 . 1 1 113 113 ILE N N 15 113.487 0.10 . 1 . . . . . 113 I N . 18595 1 586 . 1 1 114 114 THR C C 13 175.726 0.10 . 1 . . . . . 114 T C . 18595 1 587 . 1 1 114 114 THR CA C 13 68.671 0.10 . 1 . . . . . 114 T CA . 18595 1 588 . 1 1 114 114 THR CB C 13 67.857 0.10 . 1 . . . . . 114 T CB . 18595 1 589 . 1 1 114 114 THR CG2 C 13 22.05 0.10 . 1 . . . . . 114 T CG2 . 18595 1 590 . 1 1 114 114 THR N N 15 118.073 0.10 . 1 . . . . . 114 T N . 18595 1 591 . 1 1 115 115 SER C C 13 175.74 0.10 . 1 . . . . . 115 S C . 18595 1 592 . 1 1 115 115 SER CA C 13 63.875 0.10 . 1 . . . . . 115 S CA . 18595 1 593 . 1 1 115 115 SER CB C 13 62.376 0.10 . 1 . . . . . 115 S CB . 18595 1 594 . 1 1 115 115 SER N N 15 116.499 0.10 . 1 . . . . . 115 S N . 18595 1 595 . 1 1 116 116 GLY C C 13 173.067 0.10 . 1 . . . . . 116 G C . 18595 1 596 . 1 1 116 116 GLY CA C 13 47.772 0.10 . 1 . . . . . 116 G CA . 18595 1 597 . 1 1 116 116 GLY N N 15 106.805 0.10 . 1 . . . . . 116 G N . 18595 1 598 . 1 1 117 117 LEU C C 13 176.738 0.10 . 1 . . . . . 117 L C . 18595 1 599 . 1 1 117 117 LEU CA C 13 57.282 0.10 . 1 . . . . . 117 L CA . 18595 1 600 . 1 1 117 117 LEU CB C 13 40.961 0.10 . 1 . . . . . 117 L CB . 18595 1 601 . 1 1 117 117 LEU CG C 13 27.483 0.10 . 1 . . . . . 117 L CG . 18595 1 602 . 1 1 117 117 LEU CD1 C 13 26.298 0.10 . 2 . . . . . 117 L CD1 . 18595 1 603 . 1 1 117 117 LEU CD2 C 13 23.137 0.10 . 2 . . . . . 117 L CD2 . 18595 1 604 . 1 1 117 117 LEU N N 15 123.4 0.10 . 1 . . . . . 117 L N . 18595 1 605 . 1 1 118 118 ILE C C 13 180.111 0.10 . 1 . . . . . 118 I C . 18595 1 606 . 1 1 118 118 ILE CA C 13 65.31 0.10 . 1 . . . . . 118 I CA . 18595 1 607 . 1 1 118 118 ILE CB C 13 37.114 0.10 . 1 . . . . . 118 I CB . 18595 1 608 . 1 1 118 118 ILE CG1 C 13 27.68 0.10 . 1 . . . . . 118 I CG1 . 18595 1 609 . 1 1 118 118 ILE CG2 C 13 14.82 0.10 . 1 . . . . . 118 I CG2 . 18595 1 610 . 1 1 118 118 ILE CD1 C 13 13.439 0.10 . 1 . . . . . 118 I CD1 . 18595 1 611 . 1 1 118 118 ILE N N 15 116.777 0.10 . 1 . . . . . 118 I N . 18595 1 612 . 1 1 119 119 ALA C C 13 179.374 0.10 . 1 . . . . . 119 A C . 18595 1 613 . 1 1 119 119 ALA CA C 13 56.085 0.10 . 1 . . . . . 119 A CA . 18595 1 614 . 1 1 119 119 ALA CB C 13 19.515 0.10 . 1 . . . . . 119 A CB . 18595 1 615 . 1 1 119 119 ALA N N 15 122.927 0.10 . 1 . . . . . 119 A N . 18595 1 616 . 1 1 120 120 ASP C C 13 178.87 0.10 . 1 . . . . . 120 D C . 18595 1 617 . 1 1 120 120 ASP CA C 13 54.087 0.10 . 1 . . . . . 120 D CA . 18595 1 618 . 1 1 120 120 ASP CB C 13 40.575 0.10 . 1 . . . . . 120 D CB . 18595 1 619 . 1 1 120 120 ASP CG C 13 180.992 0.10 . 1 . . . . . 120 D CG . 18595 1 620 . 1 1 120 120 ASP N N 15 112.983 0.10 . 1 . . . . . 120 D N . 18595 1 621 . 1 1 121 121 LEU C C 13 176.56 0.10 . 1 . . . . . 121 L C . 18595 1 622 . 1 1 121 121 LEU CA C 13 54.281 0.10 . 1 . . . . . 121 L CA . 18595 1 623 . 1 1 121 121 LEU CB C 13 43.052 0.10 . 1 . . . . . 121 L CB . 18595 1 624 . 1 1 121 121 LEU CG C 13 25.792 0.10 . 1 . . . . . 121 L CG . 18595 1 625 . 1 1 121 121 LEU CD1 C 13 25.261 0.10 . 2 . . . . . 121 L CD1 . 18595 1 626 . 1 1 121 121 LEU CD2 C 13 21.825 0.10 . 2 . . . . . 121 L CD2 . 18595 1 627 . 1 1 121 121 LEU N N 15 115.376 0.10 . 1 . . . . . 121 L N . 18595 1 628 . 1 1 122 122 SER C C 13 174.296 0.10 . 1 . . . . . 122 S C . 18595 1 629 . 1 1 122 122 SER CA C 13 61.679 0.10 . 1 . . . . . 122 S CA . 18595 1 630 . 1 1 122 122 SER CB C 13 63.83 0.10 . 1 . . . . . 122 S CB . 18595 1 631 . 1 1 122 122 SER N N 15 115.306 0.10 . 1 . . . . . 122 S N . 18595 1 632 . 1 1 123 123 GLU C C 13 174.429 0.10 . 1 . . . . . 123 E C . 18595 1 633 . 1 1 123 123 GLU CA C 13 55.315 0.10 . 1 . . . . . 123 E CA . 18595 1 634 . 1 1 123 123 GLU N N 15 122.81 0.10 . 1 . . . . . 123 E N . 18595 1 635 . 1 1 124 124 ARG C C 13 177.346 0.10 . 1 . . . . . 124 R C . 18595 1 636 . 1 1 124 124 ARG CA C 13 55.655 0.10 . 1 . . . . . 124 R CA . 18595 1 637 . 1 1 124 124 ARG CB C 13 31.383 0.10 . 1 . . . . . 124 R CB . 18595 1 638 . 1 1 124 124 ARG CG C 13 27.144 0.10 . 1 . . . . . 124 R CG . 18595 1 639 . 1 1 124 124 ARG CD C 13 43.924 0.10 . 1 . . . . . 124 R CD . 18595 1 640 . 1 1 124 124 ARG CZ C 13 159.906 0.10 . 1 . . . . . 124 R CZ . 18595 1 641 . 1 1 124 124 ARG N N 15 118.657 0.10 . 1 . . . . . 124 R N . 18595 1 642 . 1 1 125 125 ASP C C 13 177.357 0.10 . 1 . . . . . 125 D C . 18595 1 643 . 1 1 125 125 ASP CA C 13 58.213 0.10 . 1 . . . . . 125 D CA . 18595 1 644 . 1 1 125 125 ASP CB C 13 39.531 0.10 . 1 . . . . . 125 D CB . 18595 1 645 . 1 1 125 125 ASP N N 15 126.268 0.10 . 1 . . . . . 125 D N . 18595 1 646 . 1 1 126 126 TRP C C 13 176.308 0.10 . 1 . . . . . 126 W C . 18595 1 647 . 1 1 126 126 TRP CA C 13 59.848 0.10 . 1 . . . . . 126 W CA . 18595 1 648 . 1 1 126 126 TRP CB C 13 27.324 0.10 . 1 . . . . . 126 W CB . 18595 1 649 . 1 1 126 126 TRP CG C 13 111.224 0.10 . 1 . . . . . 126 W CG . 18595 1 650 . 1 1 126 126 TRP CD2 C 13 130.813 0.10 . 1 . . . . . 126 W CD2 . 18595 1 651 . 1 1 126 126 TRP CZ3 C 13 117.6 0.10 . 1 . . . . . 126 W CZ3 . 18595 1 652 . 1 1 126 126 TRP N N 15 115.803 0.10 . 1 . . . . . 126 W N . 18595 1 653 . 1 1 127 127 VAL C C 13 176.858 0.10 . 1 . . . . . 127 V C . 18595 1 654 . 1 1 127 127 VAL CA C 13 65.743 0.10 . 1 . . . . . 127 V CA . 18595 1 655 . 1 1 127 127 VAL CB C 13 31.627 0.10 . 1 . . . . . 127 V CB . 18595 1 656 . 1 1 127 127 VAL CG1 C 13 22.534 0.10 . 2 . . . . . 127 V CG1 . 18595 1 657 . 1 1 127 127 VAL CG2 C 13 20.193 0.10 . 2 . . . . . 127 V CG2 . 18595 1 658 . 1 1 127 127 VAL N N 15 122.604 0.10 . 1 . . . . . 127 V N . 18595 1 659 . 1 1 128 128 ARG C C 13 178.871 0.10 . 1 . . . . . 128 R C . 18595 1 660 . 1 1 128 128 ARG CA C 13 60.308 0.10 . 1 . . . . . 128 R CA . 18595 1 661 . 1 1 128 128 ARG CB C 13 27.542 0.10 . 1 . . . . . 128 R CB . 18595 1 662 . 1 1 128 128 ARG CD C 13 37.402 0.10 . 1 . . . . . 128 R CD . 18595 1 663 . 1 1 128 128 ARG N N 15 119.78 0.10 . 1 . . . . . 128 R N . 18595 1 664 . 1 1 130 130 LEU C C 13 178.475 0.10 . 1 . . . . . 130 L C . 18595 1 665 . 1 1 130 130 LEU CA C 13 59.303 0.10 . 1 . . . . . 130 L CA . 18595 1 666 . 1 1 130 130 LEU CB C 13 42.299 0.10 . 1 . . . . . 130 L CB . 18595 1 667 . 1 1 130 130 LEU CG C 13 25.702 0.10 . 1 . . . . . 130 L CG . 18595 1 668 . 1 1 130 130 LEU CD1 C 13 27.333 0.10 . 2 . . . . . 130 L CD1 . 18595 1 669 . 1 1 130 130 LEU CD2 C 13 23.657 0.10 . 2 . . . . . 130 L CD2 . 18595 1 670 . 1 1 130 130 LEU N N 15 123.275 0.10 . 1 . . . . . 130 L N . 18595 1 671 . 1 1 131 131 TRP C C 13 178.949 0.10 . 1 . . . . . 131 W C . 18595 1 672 . 1 1 131 131 TRP CA C 13 61.247 0.10 . 1 . . . . . 131 W CA . 18595 1 673 . 1 1 131 131 TRP CB C 13 29.271 0.10 . 1 . . . . . 131 W CB . 18595 1 674 . 1 1 131 131 TRP CG C 13 111.567 0.10 . 1 . . . . . 131 W CG . 18595 1 675 . 1 1 131 131 TRP CD1 C 13 128.158 0.10 . 1 . . . . . 131 W CD1 . 18595 1 676 . 1 1 131 131 TRP CD2 C 13 128.894 0.10 . 1 . . . . . 131 W CD2 . 18595 1 677 . 1 1 131 131 TRP CE2 C 13 140.6 0.10 . 1 . . . . . 131 W CE2 . 18595 1 678 . 1 1 131 131 TRP CE3 C 13 119.5 0.10 . 1 . . . . . 131 W CE3 . 18595 1 679 . 1 1 131 131 TRP CZ2 C 13 113.2 0.10 . 1 . . . . . 131 W CZ2 . 18595 1 680 . 1 1 131 131 TRP CZ3 C 13 121.362 0.10 . 1 . . . . . 131 W CZ3 . 18595 1 681 . 1 1 131 131 TRP CH2 C 13 128.2 0.10 . 1 . . . . . 131 W CH2 . 18595 1 682 . 1 1 131 131 TRP N N 15 119.402 0.10 . 1 . . . . . 131 W N . 18595 1 683 . 1 1 132 132 TYR C C 13 176.724 0.10 . 1 . . . . . 132 Y C . 18595 1 684 . 1 1 132 132 TYR CA C 13 62.313 0.10 . 1 . . . . . 132 Y CA . 18595 1 685 . 1 1 132 132 TYR CB C 13 38.371 0.10 . 1 . . . . . 132 Y CB . 18595 1 686 . 1 1 132 132 TYR CG C 13 129.106 0.10 . 1 . . . . . 132 Y CG . 18595 1 687 . 1 1 132 132 TYR CZ C 13 158.054 0.10 . 1 . . . . . 132 Y CZ . 18595 1 688 . 1 1 132 132 TYR N N 15 119.636 0.10 . 1 . . . . . 132 Y N . 18595 1 689 . 1 1 133 133 ILE C C 13 178.565 0.10 . 1 . . . . . 133 I C . 18595 1 690 . 1 1 133 133 ILE CA C 13 65.46 0.10 . 1 . . . . . 133 I CA . 18595 1 691 . 1 1 133 133 ILE CB C 13 37.264 0.10 . 1 . . . . . 133 I CB . 18595 1 692 . 1 1 133 133 ILE N N 15 120.005 0.10 . 1 . . . . . 133 I N . 18595 1 693 . 1 1 134 134 CYS C C 13 176.862 0.10 . 1 . . . . . 134 C C . 18595 1 694 . 1 1 134 134 CYS CA C 13 65.735 0.10 . 1 . . . . . 134 C CA . 18595 1 695 . 1 1 134 134 CYS CB C 13 25.802 0.10 . 1 . . . . . 134 C CB . 18595 1 696 . 1 1 134 134 CYS N N 15 121.714 0.10 . 1 . . . . . 134 C N . 18595 1 697 . 1 1 135 135 GLY C C 13 175.978 0.10 . 1 . . . . . 135 G C . 18595 1 698 . 1 1 135 135 GLY CA C 13 48.23 0.10 . 1 . . . . . 135 G CA . 18595 1 699 . 1 1 135 135 GLY N N 15 105.936 0.10 . 1 . . . . . 135 G N . 18595 1 700 . 1 1 136 136 VAL C C 13 177.589 0.10 . 1 . . . . . 136 V C . 18595 1 701 . 1 1 136 136 VAL CA C 13 67.56 0.10 . 1 . . . . . 136 V CA . 18595 1 702 . 1 1 136 136 VAL CB C 13 31.277 0.10 . 1 . . . . . 136 V CB . 18595 1 703 . 1 1 136 136 VAL CG1 C 13 24.303 0.10 . 2 . . . . . 136 V CG1 . 18595 1 704 . 1 1 136 136 VAL CG2 C 13 21.965 0.10 . 2 . . . . . 136 V CG2 . 18595 1 705 . 1 1 136 136 VAL N N 15 123.803 0.10 . 1 . . . . . 136 V N . 18595 1 706 . 1 1 137 137 CYS C C 13 176.181 0.10 . 1 . . . . . 137 C C . 18595 1 707 . 1 1 137 137 CYS CA C 13 65.706 0.10 . 1 . . . . . 137 C CA . 18595 1 708 . 1 1 137 137 CYS CB C 13 26.745 0.10 . 1 . . . . . 137 C CB . 18595 1 709 . 1 1 137 137 CYS N N 15 118.83 0.10 . 1 . . . . . 137 C N . 18595 1 710 . 1 1 138 138 ALA C C 13 177.925 0.10 . 1 . . . . . 138 A C . 18595 1 711 . 1 1 138 138 ALA CA C 13 55.242 0.10 . 1 . . . . . 138 A CA . 18595 1 712 . 1 1 138 138 ALA CB C 13 17.982 0.10 . 1 . . . . . 138 A CB . 18595 1 713 . 1 1 138 138 ALA N N 15 119.252 0.10 . 1 . . . . . 138 A N . 18595 1 714 . 1 1 139 139 PHE C C 13 176.712 0.10 . 1 . . . . . 139 F C . 18595 1 715 . 1 1 139 139 PHE CA C 13 59.4 0.10 . 1 . . . . . 139 F CA . 18595 1 716 . 1 1 139 139 PHE CB C 13 40.131 0.10 . 1 . . . . . 139 F CB . 18595 1 717 . 1 1 139 139 PHE CG C 13 139.321 0.10 . 1 . . . . . 139 F CG . 18595 1 718 . 1 1 139 139 PHE N N 15 119.876 0.10 . 1 . . . . . 139 F N . 18595 1 719 . 1 1 140 140 LEU C C 13 178.578 0.10 . 1 . . . . . 140 L C . 18595 1 720 . 1 1 140 140 LEU CA C 13 58.178 0.10 . 1 . . . . . 140 L CA . 18595 1 721 . 1 1 140 140 LEU CB C 13 41.064 0.10 . 1 . . . . . 140 L CB . 18595 1 722 . 1 1 140 140 LEU CG C 13 27.243 0.10 . 1 . . . . . 140 L CG . 18595 1 723 . 1 1 140 140 LEU CD1 C 13 22.407 0.10 . 2 . . . . . 140 L CD1 . 18595 1 724 . 1 1 140 140 LEU CD2 C 13 26.147 0.10 . 2 . . . . . 140 L CD2 . 18595 1 725 . 1 1 140 140 LEU N N 15 120.165 0.10 . 1 . . . . . 140 L N . 18595 1 726 . 1 1 141 141 ILE CA C 13 65.451 0.10 . 1 . . . . . 141 I CA . 18595 1 727 . 1 1 141 141 ILE CB C 13 36.974 0.10 . 1 . . . . . 141 I CB . 18595 1 728 . 1 1 141 141 ILE CG2 C 13 18.966 0.10 . 1 . . . . . 141 I CG2 . 18595 1 729 . 1 1 141 141 ILE N N 15 119.139 0.10 . 1 . . . . . 141 I N . 18595 1 730 . 1 1 142 142 ILE C C 13 178.36 0.10 . 1 . . . . . 142 I C . 18595 1 731 . 1 1 142 142 ILE CA C 13 63.062 0.10 . 1 . . . . . 142 I CA . 18595 1 732 . 1 1 142 142 ILE CG2 C 13 17.156 0.10 . 1 . . . . . 142 I CG2 . 18595 1 733 . 1 1 142 142 ILE N N 15 122.264 0.10 . 1 . . . . . 142 I N . 18595 1 734 . 1 1 143 143 LEU C C 13 179.016 0.10 . 1 . . . . . 143 L C . 18595 1 735 . 1 1 143 143 LEU CA C 13 57.651 0.10 . 1 . . . . . 143 L CA . 18595 1 736 . 1 1 143 143 LEU CB C 13 41.473 0.10 . 1 . . . . . 143 L CB . 18595 1 737 . 1 1 143 143 LEU CG C 13 26.469 0.10 . 1 . . . . . 143 L CG . 18595 1 738 . 1 1 143 143 LEU CD1 C 13 22.793 0.10 . 2 . . . . . 143 L CD1 . 18595 1 739 . 1 1 143 143 LEU CD2 C 13 25.758 0.10 . 2 . . . . . 143 L CD2 . 18595 1 740 . 1 1 143 143 LEU N N 15 117.49 0.10 . 1 . . . . . 143 L N . 18595 1 741 . 1 1 144 144 TRP C C 13 179.141 0.10 . 1 . . . . . 144 W C . 18595 1 742 . 1 1 144 144 TRP CA C 13 63.011 0.10 . 1 . . . . . 144 W CA . 18595 1 743 . 1 1 144 144 TRP CB C 13 27.726 0.10 . 1 . . . . . 144 W CB . 18595 1 744 . 1 1 144 144 TRP N N 15 119.432 0.10 . 1 . . . . . 144 W N . 18595 1 745 . 1 1 145 145 GLY C C 13 175.551 0.10 . 1 . . . . . 145 G C . 18595 1 746 . 1 1 145 145 GLY CA C 13 47.108 0.10 . 1 . . . . . 145 G CA . 18595 1 747 . 1 1 145 145 GLY N N 15 108.526 0.10 . 1 . . . . . 145 G N . 18595 1 748 . 1 1 146 146 ILE C C 13 178.345 0.10 . 1 . . . . . 146 I C . 18595 1 749 . 1 1 146 146 ILE CA C 13 64.315 0.10 . 1 . . . . . 146 I CA . 18595 1 750 . 1 1 146 146 ILE CB C 13 35.626 0.10 . 1 . . . . . 146 I CB . 18595 1 751 . 1 1 146 146 ILE CG1 C 13 24.267 0.10 . 1 . . . . . 146 I CG1 . 18595 1 752 . 1 1 146 146 ILE CG2 C 13 16.781 0.10 . 1 . . . . . 146 I CG2 . 18595 1 753 . 1 1 146 146 ILE CD1 C 13 13.152 0.10 . 1 . . . . . 146 I CD1 . 18595 1 754 . 1 1 146 146 ILE N N 15 114.883 0.10 . 1 . . . . . 146 I N . 18595 1 755 . 1 1 147 147 TRP C C 13 175.502 0.10 . 1 . . . . . 147 W C . 18595 1 756 . 1 1 147 147 TRP CA C 13 59.948 0.10 . 1 . . . . . 147 W CA . 18595 1 757 . 1 1 147 147 TRP CB C 13 30.034 0.10 . 1 . . . . . 147 W CB . 18595 1 758 . 1 1 147 147 TRP CG C 13 113.941 0.10 . 1 . . . . . 147 W CG . 18595 1 759 . 1 1 147 147 TRP CD1 C 13 127.09 0.10 . 1 . . . . . 147 W CD1 . 18595 1 760 . 1 1 147 147 TRP CD2 C 13 129.208 0.10 . 1 . . . . . 147 W CD2 . 18595 1 761 . 1 1 147 147 TRP CE2 C 13 139.4 0.10 . 1 . . . . . 147 W CE2 . 18595 1 762 . 1 1 147 147 TRP CE3 C 13 120.3 0.10 . 1 . . . . . 147 W CE3 . 18595 1 763 . 1 1 147 147 TRP CZ2 C 13 113.9 0.10 . 1 . . . . . 147 W CZ2 . 18595 1 764 . 1 1 147 147 TRP CZ3 C 13 121.3 0.10 . 1 . . . . . 147 W CZ3 . 18595 1 765 . 1 1 147 147 TRP CH2 C 13 125.8 0.10 . 1 . . . . . 147 W CH2 . 18595 1 766 . 1 1 147 147 TRP N N 15 120.875 0.10 . 1 . . . . . 147 W N . 18595 1 767 . 1 1 148 148 ASN C C 13 171.75 0.10 . 1 . . . . . 148 N C . 18595 1 768 . 1 1 148 148 ASN CA C 13 55.031 0.10 . 1 . . . . . 148 N CA . 18595 1 769 . 1 1 148 148 ASN CB C 13 38.827 0.10 . 1 . . . . . 148 N CB . 18595 1 770 . 1 1 148 148 ASN CG C 13 176.666 0.10 . 1 . . . . . 148 N CG . 18595 1 771 . 1 1 148 148 ASN N N 15 117.112 0.10 . 1 . . . . . 148 N N . 18595 1 772 . 1 1 149 149 PRO CA C 13 66.085 0.10 . 1 . . . . . 149 P CA . 18595 1 773 . 1 1 149 149 PRO CB C 13 31.488 0.10 . 1 . . . . . 149 P CB . 18595 1 774 . 1 1 149 149 PRO CG C 13 27.871 0.10 . 1 . . . . . 149 P CG . 18595 1 775 . 1 1 149 149 PRO CD C 13 49.984 0.10 . 1 . . . . . 149 P CD . 18595 1 776 . 1 1 149 149 PRO N N 15 138.77 0.10 . 1 . . . . . 149 P N . 18595 1 777 . 1 1 152 152 ALA C C 13 180.851 0.10 . 1 . . . . . 152 A C . 18595 1 778 . 1 1 152 152 ALA CA C 13 54.92 0.10 . 1 . . . . . 152 A CA . 18595 1 779 . 1 1 152 152 ALA CB C 13 17.972 0.10 . 1 . . . . . 152 A CB . 18595 1 780 . 1 1 152 152 ALA N N 15 121.154 0.10 . 1 . . . . . 152 A N . 18595 1 781 . 1 1 153 153 LYS C C 13 176.34 0.10 . 1 . . . . . 153 K C . 18595 1 782 . 1 1 153 153 LYS CA C 13 56.831 0.10 . 1 . . . . . 153 K CA . 18595 1 783 . 1 1 153 153 LYS N N 15 114.596 0.10 . 1 . . . . . 153 K N . 18595 1 784 . 1 1 154 154 THR C C 13 176.231 0.10 . 1 . . . . . 154 T C . 18595 1 785 . 1 1 154 154 THR CA C 13 63.738 0.10 . 1 . . . . . 154 T CA . 18595 1 786 . 1 1 154 154 THR CB C 13 69.794 0.10 . 1 . . . . . 154 T CB . 18595 1 787 . 1 1 154 154 THR CG2 C 13 21.076 0.10 . 1 . . . . . 154 T CG2 . 18595 1 788 . 1 1 154 154 THR N N 15 107.054 0.10 . 1 . . . . . 154 T N . 18595 1 789 . 1 1 156 156 THR C C 13 174.916 0.10 . 1 . . . . . 156 T C . 18595 1 790 . 1 1 156 156 THR CA C 13 61.53 0.10 . 1 . . . . . 156 T CA . 18595 1 791 . 1 1 156 156 THR CB C 13 69.096 0.10 . 1 . . . . . 156 T CB . 18595 1 792 . 1 1 156 156 THR CG2 C 13 21.533 0.10 . 1 . . . . . 156 T CG2 . 18595 1 793 . 1 1 156 156 THR N N 15 104.988 0.10 . 1 . . . . . 156 T N . 18595 1 794 . 1 1 157 157 GLN C C 13 173.31 0.10 . 1 . . . . . 157 Q C . 18595 1 795 . 1 1 157 157 GLN CA C 13 54.931 0.10 . 1 . . . . . 157 Q CA . 18595 1 796 . 1 1 157 157 GLN CB C 13 35.519 0.10 . 1 . . . . . 157 Q CB . 18595 1 797 . 1 1 157 157 GLN CG C 13 38.39 0.10 . 1 . . . . . 157 Q CG . 18595 1 798 . 1 1 157 157 GLN CD C 13 177.541 0.10 . 1 . . . . . 157 Q CD . 18595 1 799 . 1 1 157 157 GLN N N 15 120.514 0.10 . 1 . . . . . 157 Q N . 18595 1 800 . 1 1 158 158 SER C C 13 174.654 0.10 . 1 . . . . . 158 S C . 18595 1 801 . 1 1 158 158 SER CA C 13 57.77 0.10 . 1 . . . . . 158 S CA . 18595 1 802 . 1 1 158 158 SER CB C 13 65.295 0.10 . 1 . . . . . 158 S CB . 18595 1 803 . 1 1 158 158 SER N N 15 113.302 0.10 . 1 . . . . . 158 S N . 18595 1 804 . 1 1 159 159 SER C C 13 176.679 0.10 . 1 . . . . . 159 S C . 18595 1 805 . 1 1 159 159 SER CA C 13 61.627 0.10 . 1 . . . . . 159 S CA . 18595 1 806 . 1 1 159 159 SER CB C 13 62.675 0.10 . 1 . . . . . 159 S CB . 18595 1 807 . 1 1 159 159 SER N N 15 118.119 0.10 . 1 . . . . . 159 S N . 18595 1 808 . 1 1 160 160 GLU C C 13 179.547 0.10 . 1 . . . . . 160 E C . 18595 1 809 . 1 1 160 160 GLU CA C 13 60.332 0.10 . 1 . . . . . 160 E CA . 18595 1 810 . 1 1 160 160 GLU CB C 13 29.377 0.10 . 1 . . . . . 160 E CB . 18595 1 811 . 1 1 160 160 GLU N N 15 119.572 0.10 . 1 . . . . . 160 E N . 18595 1 812 . 1 1 161 161 LEU C C 13 178.857 0.10 . 1 . . . . . 161 L C . 18595 1 813 . 1 1 161 161 LEU CA C 13 56.766 0.10 . 1 . . . . . 161 L CA . 18595 1 814 . 1 1 161 161 LEU CB C 13 40.986 0.10 . 1 . . . . . 161 L CB . 18595 1 815 . 1 1 161 161 LEU CG C 13 28.119 0.10 . 1 . . . . . 161 L CG . 18595 1 816 . 1 1 161 161 LEU CD1 C 13 22.763 0.10 . 2 . . . . . 161 L CD1 . 18595 1 817 . 1 1 161 161 LEU CD2 C 13 26.67 0.10 . 2 . . . . . 161 L CD2 . 18595 1 818 . 1 1 161 161 LEU N N 15 125.133 0.10 . 1 . . . . . 161 L N . 18595 1 819 . 1 1 162 162 ALA C C 13 179.783 0.10 . 1 . . . . . 162 A C . 18595 1 820 . 1 1 162 162 ALA CA C 13 56.07 0.10 . 1 . . . . . 162 A CA . 18595 1 821 . 1 1 162 162 ALA CB C 13 18.017 0.10 . 1 . . . . . 162 A CB . 18595 1 822 . 1 1 162 162 ALA N N 15 123.328 0.10 . 1 . . . . . 162 A N . 18595 1 823 . 1 1 163 163 ASN C C 13 178.106 0.10 . 1 . . . . . 163 N C . 18595 1 824 . 1 1 163 163 ASN CA C 13 55.9 0.10 . 1 . . . . . 163 N CA . 18595 1 825 . 1 1 163 163 ASN CB C 13 38.241 0.10 . 1 . . . . . 163 N CB . 18595 1 826 . 1 1 163 163 ASN CG C 13 176.142 0.10 . 1 . . . . . 163 N CG . 18595 1 827 . 1 1 163 163 ASN N N 15 115.75 0.10 . 1 . . . . . 163 N N . 18595 1 828 . 1 1 164 164 LEU C C 13 178.034 0.10 . 1 . . . . . 164 L C . 18595 1 829 . 1 1 164 164 LEU CA C 13 58.238 0.10 . 1 . . . . . 164 L CA . 18595 1 830 . 1 1 164 164 LEU CB C 13 40.779 0.10 . 1 . . . . . 164 L CB . 18595 1 831 . 1 1 164 164 LEU CG C 13 27.439 0.10 . 1 . . . . . 164 L CG . 18595 1 832 . 1 1 164 164 LEU CD1 C 13 25.897 0.10 . 2 . . . . . 164 L CD1 . 18595 1 833 . 1 1 164 164 LEU CD2 C 13 22.728 0.10 . 2 . . . . . 164 L CD2 . 18595 1 834 . 1 1 164 164 LEU N N 15 123.683 0.10 . 1 . . . . . 164 L N . 18595 1 835 . 1 1 165 165 TYR C C 13 176.029 0.10 . 1 . . . . . 165 Y C . 18595 1 836 . 1 1 165 165 TYR CA C 13 63.696 0.10 . 1 . . . . . 165 Y CA . 18595 1 837 . 1 1 165 165 TYR CB C 13 38.632 0.10 . 1 . . . . . 165 Y CB . 18595 1 838 . 1 1 165 165 TYR CG C 13 129.412 0.10 . 1 . . . . . 165 Y CG . 18595 1 839 . 1 1 165 165 TYR CD2 C 13 133.236 0.10 . 3 . . . . . 165 Y CD2 . 18595 1 840 . 1 1 165 165 TYR CE1 C 13 115.281 0.10 . 3 . . . . . 165 Y CE1 . 18595 1 841 . 1 1 165 165 TYR CE2 C 13 119.303 0.10 . 3 . . . . . 165 Y CE2 . 18595 1 842 . 1 1 165 165 TYR CZ C 13 158.197 0.10 . 1 . . . . . 165 Y CZ . 18595 1 843 . 1 1 165 165 TYR N N 15 119.062 0.10 . 1 . . . . . 165 Y N . 18595 1 844 . 1 1 166 166 ASP C C 13 179.426 0.10 . 1 . . . . . 166 D C . 18595 1 845 . 1 1 166 166 ASP CA C 13 56.862 0.10 . 1 . . . . . 166 D CA . 18595 1 846 . 1 1 166 166 ASP CB C 13 39.414 0.10 . 1 . . . . . 166 D CB . 18595 1 847 . 1 1 166 166 ASP CG C 13 180.125 0.10 . 1 . . . . . 166 D CG . 18595 1 848 . 1 1 166 166 ASP N N 15 119.22 0.10 . 1 . . . . . 166 D N . 18595 1 849 . 1 1 167 167 LYS C C 13 178.328 0.10 . 1 . . . . . 167 K C . 18595 1 850 . 1 1 167 167 LYS CA C 13 59.979 0.10 . 1 . . . . . 167 K CA . 18595 1 851 . 1 1 167 167 LYS CB C 13 32.448 0.10 . 1 . . . . . 167 K CB . 18595 1 852 . 1 1 167 167 LYS N N 15 123.587 0.10 . 1 . . . . . 167 K N . 18595 1 853 . 1 1 168 168 LEU C C 13 179.725 0.10 . 1 . . . . . 168 L C . 18595 1 854 . 1 1 168 168 LEU CA C 13 57.668 0.10 . 1 . . . . . 168 L CA . 18595 1 855 . 1 1 168 168 LEU CB C 13 42.204 0.10 . 1 . . . . . 168 L CB . 18595 1 856 . 1 1 168 168 LEU CG C 13 25.913 0.10 . 1 . . . . . 168 L CG . 18595 1 857 . 1 1 168 168 LEU CD1 C 13 21.452 0.10 . 2 . . . . . 168 L CD1 . 18595 1 858 . 1 1 168 168 LEU CD2 C 13 22.69 0.10 . 2 . . . . . 168 L CD2 . 18595 1 859 . 1 1 168 168 LEU N N 15 119.44 0.10 . 1 . . . . . 168 L N . 18595 1 860 . 1 1 169 169 VAL C C 13 178.819 0.10 . 1 . . . . . 169 V C . 18595 1 861 . 1 1 169 169 VAL CA C 13 64.708 0.10 . 1 . . . . . 169 V CA . 18595 1 862 . 1 1 169 169 VAL CB C 13 29.924 0.10 . 1 . . . . . 169 V CB . 18595 1 863 . 1 1 169 169 VAL CG1 C 13 22.797 0.10 . 2 . . . . . 169 V CG1 . 18595 1 864 . 1 1 169 169 VAL CG2 C 13 18.938 0.10 . 2 . . . . . 169 V CG2 . 18595 1 865 . 1 1 169 169 VAL N N 15 119.908 0.10 . 1 . . . . . 169 V N . 18595 1 866 . 1 1 170 170 THR C C 13 174.424 0.10 . 1 . . . . . 170 T C . 18595 1 867 . 1 1 170 170 THR CA C 13 69.475 0.10 . 1 . . . . . 170 T CA . 18595 1 868 . 1 1 170 170 THR CB C 13 67.923 0.10 . 1 . . . . . 170 T CB . 18595 1 869 . 1 1 170 170 THR CG2 C 13 21.566 0.10 . 1 . . . . . 170 T CG2 . 18595 1 870 . 1 1 170 170 THR N N 15 125.317 0.10 . 1 . . . . . 170 T N . 18595 1 871 . 1 1 171 171 TYR C C 13 175.378 0.10 . 1 . . . . . 171 Y C . 18595 1 872 . 1 1 171 171 TYR CA C 13 62.696 0.10 . 1 . . . . . 171 Y CA . 18595 1 873 . 1 1 171 171 TYR CB C 13 39.265 0.10 . 1 . . . . . 171 Y CB . 18595 1 874 . 1 1 171 171 TYR CZ C 13 158.246 0.10 . 1 . . . . . 171 Y CZ . 18595 1 875 . 1 1 171 171 TYR N N 15 123.409 0.10 . 1 . . . . . 171 Y N . 18595 1 876 . 1 1 172 172 PHE C C 13 176.75 0.10 . 1 . . . . . 172 F C . 18595 1 877 . 1 1 172 172 PHE CA C 13 60.639 0.10 . 1 . . . . . 172 F CA . 18595 1 878 . 1 1 172 172 PHE CB C 13 41.856 0.10 . 1 . . . . . 172 F CB . 18595 1 879 . 1 1 172 172 PHE CG C 13 137.513 0.10 . 1 . . . . . 172 F CG . 18595 1 880 . 1 1 172 172 PHE N N 15 118.301 0.10 . 1 . . . . . 172 F N . 18595 1 881 . 1 1 173 173 THR C C 13 174.909 0.10 . 1 . . . . . 173 T C . 18595 1 882 . 1 1 173 173 THR CA C 13 69.032 0.10 . 1 . . . . . 173 T CA . 18595 1 883 . 1 1 173 173 THR CG2 C 13 21.323 0.10 . 1 . . . . . 173 T CG2 . 18595 1 884 . 1 1 173 173 THR N N 15 113.3 0.10 . 1 . . . . . 173 T N . 18595 1 885 . 1 1 174 174 VAL C C 13 175.777 0.10 . 1 . . . . . 174 V C . 18595 1 886 . 1 1 174 174 VAL CA C 13 67.394 0.10 . 1 . . . . . 174 V CA . 18595 1 887 . 1 1 174 174 VAL CB C 13 31.684 0.10 . 1 . . . . . 174 V CB . 18595 1 888 . 1 1 174 174 VAL CG1 C 13 23.127 0.10 . 2 . . . . . 174 V CG1 . 18595 1 889 . 1 1 174 174 VAL CG2 C 13 21.758 0.10 . 2 . . . . . 174 V CG2 . 18595 1 890 . 1 1 174 174 VAL N N 15 118.115 0.10 . 1 . . . . . 174 V N . 18595 1 891 . 1 1 175 175 LEU C C 13 179.91 0.10 . 1 . . . . . 175 L C . 18595 1 892 . 1 1 175 175 LEU CA C 13 57.395 0.10 . 1 . . . . . 175 L CA . 18595 1 893 . 1 1 175 175 LEU CB C 13 41.814 0.10 . 1 . . . . . 175 L CB . 18595 1 894 . 1 1 175 175 LEU CG C 13 27.778 0.10 . 1 . . . . . 175 L CG . 18595 1 895 . 1 1 175 175 LEU CD1 C 13 23.527 0.10 . 2 . . . . . 175 L CD1 . 18595 1 896 . 1 1 175 175 LEU CD2 C 13 26.573 0.10 . 2 . . . . . 175 L CD2 . 18595 1 897 . 1 1 175 175 LEU N N 15 112.968 0.10 . 1 . . . . . 175 L N . 18595 1 898 . 1 1 176 176 TRP C C 13 179.597 0.10 . 1 . . . . . 176 W C . 18595 1 899 . 1 1 176 176 TRP CA C 13 62.629 0.10 . 1 . . . . . 176 W CA . 18595 1 900 . 1 1 176 176 TRP CB C 13 27.1 0.10 . 1 . . . . . 176 W CB . 18595 1 901 . 1 1 176 176 TRP CG C 13 115.442 0.10 . 1 . . . . . 176 W CG . 18595 1 902 . 1 1 176 176 TRP CD1 C 13 127.001 0.10 . 1 . . . . . 176 W CD1 . 18595 1 903 . 1 1 176 176 TRP CD2 C 13 130.074 0.10 . 1 . . . . . 176 W CD2 . 18595 1 904 . 1 1 176 176 TRP CE2 C 13 138.2 0.10 . 1 . . . . . 176 W CE2 . 18595 1 905 . 1 1 176 176 TRP CE3 C 13 120.2 0.10 . 1 . . . . . 176 W CE3 . 18595 1 906 . 1 1 176 176 TRP CZ2 C 13 115.44 0.10 . 1 . . . . . 176 W CZ2 . 18595 1 907 . 1 1 176 176 TRP CZ3 C 13 120.9 0.10 . 1 . . . . . 176 W CZ3 . 18595 1 908 . 1 1 176 176 TRP CH2 C 13 123.2 0.10 . 1 . . . . . 176 W CH2 . 18595 1 909 . 1 1 176 176 TRP N N 15 117.912 0.10 . 1 . . . . . 176 W N . 18595 1 910 . 1 1 177 177 ILE C C 13 175.82 0.10 . 1 . . . . . 177 I C . 18595 1 911 . 1 1 177 177 ILE CA C 13 65.588 0.10 . 1 . . . . . 177 I CA . 18595 1 912 . 1 1 177 177 ILE CB C 13 38.235 0.10 . 1 . . . . . 177 I CB . 18595 1 913 . 1 1 177 177 ILE CG1 C 13 24.122 0.10 . 1 . . . . . 177 I CG1 . 18595 1 914 . 1 1 177 177 ILE CG2 C 13 18.068 0.10 . 1 . . . . . 177 I CG2 . 18595 1 915 . 1 1 177 177 ILE CD1 C 13 15.37 0.10 . 1 . . . . . 177 I CD1 . 18595 1 916 . 1 1 177 177 ILE N N 15 118.452 0.10 . 1 . . . . . 177 I N . 18595 1 917 . 1 1 178 178 GLY C C 13 174.79 0.10 . 1 . . . . . 178 G C . 18595 1 918 . 1 1 178 178 GLY CA C 13 47.563 0.10 . 1 . . . . . 178 G CA . 18595 1 919 . 1 1 178 178 GLY N N 15 102.262 0.10 . 1 . . . . . 178 G N . 18595 1 920 . 1 1 179 179 TYR C C 13 175.019 0.10 . 1 . . . . . 179 Y C . 18595 1 921 . 1 1 179 179 TYR CA C 13 63.41 0.10 . 1 . . . . . 179 Y CA . 18595 1 922 . 1 1 179 179 TYR CB C 13 35.523 0.10 . 1 . . . . . 179 Y CB . 18595 1 923 . 1 1 179 179 TYR CG C 13 131.782 0.10 . 1 . . . . . 179 Y CG . 18595 1 924 . 1 1 179 179 TYR CE1 C 13 116.568 0.10 . 3 . . . . . 179 Y CE1 . 18595 1 925 . 1 1 179 179 TYR CZ C 13 156.428 0.10 . 1 . . . . . 179 Y CZ . 18595 1 926 . 1 1 179 179 TYR N N 15 115.777 0.10 . 1 . . . . . 179 Y N . 18595 1 927 . 1 1 180 180 PRO C C 13 180.002 0.10 . 1 . . . . . 180 P C . 18595 1 928 . 1 1 180 180 PRO CA C 13 65.075 0.10 . 1 . . . . . 180 P CA . 18595 1 929 . 1 1 180 180 PRO CB C 13 28.898 0.10 . 1 . . . . . 180 P CB . 18595 1 930 . 1 1 180 180 PRO CG C 13 27.551 0.10 . 1 . . . . . 180 P CG . 18595 1 931 . 1 1 180 180 PRO CD C 13 49.679 0.10 . 1 . . . . . 180 P CD . 18595 1 932 . 1 1 180 180 PRO N N 15 132.452 0.10 . 1 . . . . . 180 P N . 18595 1 933 . 1 1 181 181 ILE C C 13 175.418 0.10 . 1 . . . . . 181 I C . 18595 1 934 . 1 1 181 181 ILE CA C 13 65.418 0.10 . 1 . . . . . 181 I CA . 18595 1 935 . 1 1 181 181 ILE CB C 13 37.578 0.10 . 1 . . . . . 181 I CB . 18595 1 936 . 1 1 181 181 ILE CG1 C 13 28.688 0.10 . 1 . . . . . 181 I CG1 . 18595 1 937 . 1 1 181 181 ILE CG2 C 13 16.848 0.10 . 1 . . . . . 181 I CG2 . 18595 1 938 . 1 1 181 181 ILE CD1 C 13 13.633 0.10 . 1 . . . . . 181 I CD1 . 18595 1 939 . 1 1 181 181 ILE N N 15 121.675 0.10 . 1 . . . . . 181 I N . 18595 1 940 . 1 1 182 182 VAL C C 13 177.316 0.10 . 1 . . . . . 182 V C . 18595 1 941 . 1 1 182 182 VAL CA C 13 66.975 0.10 . 1 . . . . . 182 V CA . 18595 1 942 . 1 1 182 182 VAL CB C 13 30.601 0.10 . 1 . . . . . 182 V CB . 18595 1 943 . 1 1 182 182 VAL CG1 C 13 24.127 0.10 . 2 . . . . . 182 V CG1 . 18595 1 944 . 1 1 182 182 VAL CG2 C 13 23.11 0.10 . 2 . . . . . 182 V CG2 . 18595 1 945 . 1 1 182 182 VAL N N 15 118.992 0.10 . 1 . . . . . 182 V N . 18595 1 946 . 1 1 183 183 TRP C C 13 178.958 0.10 . 1 . . . . . 183 W C . 18595 1 947 . 1 1 183 183 TRP CA C 13 62.728 0.10 . 1 . . . . . 183 W CA . 18595 1 948 . 1 1 183 183 TRP CB C 13 32.459 0.10 . 1 . . . . . 183 W CB . 18595 1 949 . 1 1 183 183 TRP CG C 13 111.657 0.10 . 1 . . . . . 183 W CG . 18595 1 950 . 1 1 183 183 TRP CD1 C 13 127.58 0.10 . 1 . . . . . 183 W CD1 . 18595 1 951 . 1 1 183 183 TRP CD2 C 13 129.211 0.10 . 1 . . . . . 183 W CD2 . 18595 1 952 . 1 1 183 183 TRP CE2 C 13 139.2 0.10 . 1 . . . . . 183 W CE2 . 18595 1 953 . 1 1 183 183 TRP CE3 C 13 124.5 0.10 . 1 . . . . . 183 W CE3 . 18595 1 954 . 1 1 183 183 TRP CZ2 C 13 113.2 0.10 . 1 . . . . . 183 W CZ2 . 18595 1 955 . 1 1 183 183 TRP CZ3 C 13 120.9 0.10 . 1 . . . . . 183 W CZ3 . 18595 1 956 . 1 1 183 183 TRP CH2 C 13 122.4 0.10 . 1 . . . . . 183 W CH2 . 18595 1 957 . 1 1 183 183 TRP N N 15 116.609 0.10 . 1 . . . . . 183 W N . 18595 1 958 . 1 1 184 184 ILE C C 13 174.985 0.10 . 1 . . . . . 184 I C . 18595 1 959 . 1 1 184 184 ILE CA C 13 60.732 0.10 . 1 . . . . . 184 I CA . 18595 1 960 . 1 1 184 184 ILE CB C 13 39.708 0.10 . 1 . . . . . 184 I CB . 18595 1 961 . 1 1 184 184 ILE N N 15 113.195 0.10 . 1 . . . . . 184 I N . 18595 1 962 . 1 1 185 185 ILE C C 13 176.332 0.10 . 1 . . . . . 185 I C . 18595 1 963 . 1 1 185 185 ILE CA C 13 62.983 0.10 . 1 . . . . . 185 I CA . 18595 1 964 . 1 1 185 185 ILE CB C 13 38.624 0.10 . 1 . . . . . 185 I CB . 18595 1 965 . 1 1 185 185 ILE CG1 C 13 24.363 0.10 . 1 . . . . . 185 I CG1 . 18595 1 966 . 1 1 185 185 ILE CG2 C 13 17.751 0.10 . 1 . . . . . 185 I CG2 . 18595 1 967 . 1 1 185 185 ILE CD1 C 13 14.507 0.10 . 1 . . . . . 185 I CD1 . 18595 1 968 . 1 1 185 185 ILE N N 15 113.102 0.10 . 1 . . . . . 185 I N . 18595 1 969 . 1 1 186 186 GLY C C 13 173.766 0.10 . 1 . . . . . 186 G C . 18595 1 970 . 1 1 186 186 GLY CA C 13 45.136 0.10 . 1 . . . . . 186 G CA . 18595 1 971 . 1 1 186 186 GLY N N 15 109.922 0.10 . 1 . . . . . 186 G N . 18595 1 972 . 1 1 187 187 PRO C C 13 176.934 0.10 . 1 . . . . . 187 P C . 18595 1 973 . 1 1 187 187 PRO CA C 13 64.934 0.10 . 1 . . . . . 187 P CA . 18595 1 974 . 1 1 187 187 PRO CB C 13 32.956 0.10 . 1 . . . . . 187 P CB . 18595 1 975 . 1 1 187 187 PRO CG C 13 27.252 0.10 . 1 . . . . . 187 P CG . 18595 1 976 . 1 1 187 187 PRO CD C 13 49.777 0.10 . 1 . . . . . 187 P CD . 18595 1 977 . 1 1 187 187 PRO N N 15 133.536 0.10 . 1 . . . . . 187 P N . 18595 1 978 . 1 1 188 188 SER C C 13 172.592 0.10 . 1 . . . . . 188 S C . 18595 1 979 . 1 1 188 188 SER CA C 13 61.761 0.10 . 1 . . . . . 188 S CA . 18595 1 980 . 1 1 188 188 SER CB C 13 60.742 0.10 . 1 . . . . . 188 S CB . 18595 1 981 . 1 1 188 188 SER N N 15 109.265 0.10 . 1 . . . . . 188 S N . 18595 1 982 . 1 1 189 189 GLY C C 13 173.882 0.10 . 1 . . . . . 189 G C . 18595 1 983 . 1 1 189 189 GLY CA C 13 44.145 0.10 . 1 . . . . . 189 G CA . 18595 1 984 . 1 1 189 189 GLY N N 15 109.075 0.10 . 1 . . . . . 189 G N . 18595 1 985 . 1 1 190 190 PHE C C 13 177.265 0.10 . 1 . . . . . 190 F C . 18595 1 986 . 1 1 190 190 PHE CA C 13 56.575 0.10 . 1 . . . . . 190 F CA . 18595 1 987 . 1 1 190 190 PHE CB C 13 40.97 0.10 . 1 . . . . . 190 F CB . 18595 1 988 . 1 1 190 190 PHE N N 15 125.296 0.10 . 1 . . . . . 190 F N . 18595 1 989 . 1 1 191 191 GLY C C 13 174.729 0.10 . 1 . . . . . 191 G C . 18595 1 990 . 1 1 191 191 GLY CA C 13 46.607 0.10 . 1 . . . . . 191 G CA . 18595 1 991 . 1 1 191 191 GLY N N 15 105.843 0.10 . 1 . . . . . 191 G N . 18595 1 992 . 1 1 192 192 TRP C C 13 177.074 0.10 . 1 . . . . . 192 W C . 18595 1 993 . 1 1 192 192 TRP CA C 13 57.399 0.10 . 1 . . . . . 192 W CA . 18595 1 994 . 1 1 192 192 TRP CB C 13 29.01 0.10 . 1 . . . . . 192 W CB . 18595 1 995 . 1 1 192 192 TRP N N 15 121.06 0.10 . 1 . . . . . 192 W N . 18595 1 996 . 1 1 193 193 ILE C C 13 175.094 0.10 . 1 . . . . . 193 I C . 18595 1 997 . 1 1 193 193 ILE CA C 13 58.522 0.10 . 1 . . . . . 193 I CA . 18595 1 998 . 1 1 193 193 ILE CB C 13 40.081 0.10 . 1 . . . . . 193 I CB . 18595 1 999 . 1 1 193 193 ILE CG1 C 13 27.129 0.10 . 1 . . . . . 193 I CG1 . 18595 1 1000 . 1 1 193 193 ILE CG2 C 13 18.283 0.10 . 1 . . . . . 193 I CG2 . 18595 1 1001 . 1 1 193 193 ILE CD1 C 13 13.084 0.10 . 1 . . . . . 193 I CD1 . 18595 1 1002 . 1 1 193 193 ILE N N 15 107.181 0.10 . 1 . . . . . 193 I N . 18595 1 1003 . 1 1 194 194 ASN C C 13 175.714 0.10 . 1 . . . . . 194 N C . 18595 1 1004 . 1 1 194 194 ASN CA C 13 51.289 0.10 . 1 . . . . . 194 N CA . 18595 1 1005 . 1 1 194 194 ASN CB C 13 39.199 0.10 . 1 . . . . . 194 N CB . 18595 1 1006 . 1 1 194 194 ASN N N 15 118.513 0.10 . 1 . . . . . 194 N N . 18595 1 1007 . 1 1 195 195 GLN C C 13 176.808 0.10 . 1 . . . . . 195 Q C . 18595 1 1008 . 1 1 195 195 GLN CA C 13 57.612 0.10 . 1 . . . . . 195 Q CA . 18595 1 1009 . 1 1 195 195 GLN CB C 13 29.193 0.10 . 1 . . . . . 195 Q CB . 18595 1 1010 . 1 1 195 195 GLN CG C 13 34.304 0.10 . 1 . . . . . 195 Q CG . 18595 1 1011 . 1 1 195 195 GLN CD C 13 180.67 0.10 . 1 . . . . . 195 Q CD . 18595 1 1012 . 1 1 195 195 GLN N N 15 116.31 0.10 . 1 . . . . . 195 Q N . 18595 1 1013 . 1 1 196 196 THR C C 13 175.933 0.10 . 1 . . . . . 196 T C . 18595 1 1014 . 1 1 196 196 THR CA C 13 67.694 0.10 . 1 . . . . . 196 T CA . 18595 1 1015 . 1 1 196 196 THR CG2 C 13 23.183 0.10 . 1 . . . . . 196 T CG2 . 18595 1 1016 . 1 1 196 196 THR N N 15 117.942 0.10 . 1 . . . . . 196 T N . 18595 1 1017 . 1 1 197 197 ILE C C 13 177.649 0.10 . 1 . . . . . 197 I C . 18595 1 1018 . 1 1 197 197 ILE CA C 13 63.708 0.10 . 1 . . . . . 197 I CA . 18595 1 1019 . 1 1 197 197 ILE CB C 13 37.2 0.10 . 1 . . . . . 197 I CB . 18595 1 1020 . 1 1 197 197 ILE CG2 C 13 18.64 0.10 . 1 . . . . . 197 I CG2 . 18595 1 1021 . 1 1 197 197 ILE N N 15 119.761 0.10 . 1 . . . . . 197 I N . 18595 1 1022 . 1 1 198 198 ASP C C 13 177.035 0.10 . 1 . . . . . 198 D C . 18595 1 1023 . 1 1 198 198 ASP CA C 13 58.895 0.10 . 1 . . . . . 198 D CA . 18595 1 1024 . 1 1 198 198 ASP CB C 13 43.959 0.10 . 1 . . . . . 198 D CB . 18595 1 1025 . 1 1 198 198 ASP CG C 13 177.78 0.10 . 1 . . . . . 198 D CG . 18595 1 1026 . 1 1 198 198 ASP N N 15 123.726 0.10 . 1 . . . . . 198 D N . 18595 1 1027 . 1 1 199 199 THR C C 13 175.825 0.10 . 1 . . . . . 199 T C . 18595 1 1028 . 1 1 199 199 THR CA C 13 68.018 0.10 . 1 . . . . . 199 T CA . 18595 1 1029 . 1 1 199 199 THR CG2 C 13 23.462 0.10 . 1 . . . . . 199 T CG2 . 18595 1 1030 . 1 1 199 199 THR N N 15 116.803 0.10 . 1 . . . . . 199 T N . 18595 1 1031 . 1 1 200 200 PHE C C 13 178.541 0.10 . 1 . . . . . 200 F C . 18595 1 1032 . 1 1 200 200 PHE CA C 13 61.964 0.10 . 1 . . . . . 200 F CA . 18595 1 1033 . 1 1 200 200 PHE CB C 13 38.951 0.10 . 1 . . . . . 200 F CB . 18595 1 1034 . 1 1 200 200 PHE CG C 13 138.899 0.10 . 1 . . . . . 200 F CG . 18595 1 1035 . 1 1 200 200 PHE N N 15 120.447 0.10 . 1 . . . . . 200 F N . 18595 1 1036 . 1 1 201 201 LEU C C 13 178.527 0.10 . 1 . . . . . 201 L C . 18595 1 1037 . 1 1 201 201 LEU CA C 13 58.424 0.10 . 1 . . . . . 201 L CA . 18595 1 1038 . 1 1 201 201 LEU CB C 13 41.708 0.10 . 1 . . . . . 201 L CB . 18595 1 1039 . 1 1 201 201 LEU CG C 13 27.193 0.10 . 1 . . . . . 201 L CG . 18595 1 1040 . 1 1 201 201 LEU CD1 C 13 26.924 0.10 . 2 . . . . . 201 L CD1 . 18595 1 1041 . 1 1 201 201 LEU CD2 C 13 22.402 0.10 . 2 . . . . . 201 L CD2 . 18595 1 1042 . 1 1 201 201 LEU N N 15 120.419 0.10 . 1 . . . . . 201 L N . 18595 1 1043 . 1 1 202 202 PHE C C 13 174.565 0.10 . 1 . . . . . 202 F C . 18595 1 1044 . 1 1 202 202 PHE CA C 13 60.745 0.10 . 1 . . . . . 202 F CA . 18595 1 1045 . 1 1 202 202 PHE CB C 13 35.806 0.10 . 1 . . . . . 202 F CB . 18595 1 1046 . 1 1 202 202 PHE CG C 13 140.382 0.10 . 1 . . . . . 202 F CG . 18595 1 1047 . 1 1 202 202 PHE CD1 C 13 131.45 0.10 . 3 . . . . . 202 F CD1 . 18595 1 1048 . 1 1 202 202 PHE N N 15 115.46 0.10 . 1 . . . . . 202 F N . 18595 1 1049 . 1 1 203 203 CYS C C 13 175.268 0.10 . 1 . . . . . 203 C C . 18595 1 1050 . 1 1 203 203 CYS CA C 13 62.7 0.10 . 1 . . . . . 203 C CA . 18595 1 1051 . 1 1 203 203 CYS CB C 13 28.519 0.10 . 1 . . . . . 203 C CB . 18595 1 1052 . 1 1 203 203 CYS N N 15 117.853 0.10 . 1 . . . . . 203 C N . 18595 1 1053 . 1 1 204 204 LEU C C 13 178.317 0.10 . 1 . . . . . 204 L C . 18595 1 1054 . 1 1 204 204 LEU CA C 13 59.025 0.10 . 1 . . . . . 204 L CA . 18595 1 1055 . 1 1 204 204 LEU CB C 13 43.876 0.10 . 1 . . . . . 204 L CB . 18595 1 1056 . 1 1 204 204 LEU CG C 13 27.022 0.10 . 1 . . . . . 204 L CG . 18595 1 1057 . 1 1 204 204 LEU CD1 C 13 24.936 0.10 . 2 . . . . . 204 L CD1 . 18595 1 1058 . 1 1 204 204 LEU CD2 C 13 25.78 0.10 . 2 . . . . . 204 L CD2 . 18595 1 1059 . 1 1 204 204 LEU N N 15 121.73 0.10 . 1 . . . . . 204 L N . 18595 1 1060 . 1 1 205 205 LEU C C 13 180.015 0.10 . 1 . . . . . 205 L C . 18595 1 1061 . 1 1 205 205 LEU CA C 13 59.943 0.10 . 1 . . . . . 205 L CA . 18595 1 1062 . 1 1 205 205 LEU CB C 13 38.21 0.10 . 1 . . . . . 205 L CB . 18595 1 1063 . 1 1 205 205 LEU CG C 13 27.543 0.10 . 1 . . . . . 205 L CG . 18595 1 1064 . 1 1 205 205 LEU CD1 C 13 23.953 0.10 . 2 . . . . . 205 L CD1 . 18595 1 1065 . 1 1 205 205 LEU CD2 C 13 22.532 0.10 . 2 . . . . . 205 L CD2 . 18595 1 1066 . 1 1 205 205 LEU N N 15 115.064 0.10 . 1 . . . . . 205 L N . 18595 1 1067 . 1 1 206 206 PRO C C 13 177.442 0.10 . 1 . . . . . 206 P C . 18595 1 1068 . 1 1 206 206 PRO CA C 13 66.401 0.10 . 1 . . . . . 206 P CA . 18595 1 1069 . 1 1 206 206 PRO CB C 13 29.294 0.10 . 1 . . . . . 206 P CB . 18595 1 1070 . 1 1 206 206 PRO CG C 13 28.489 0.10 . 1 . . . . . 206 P CG . 18595 1 1071 . 1 1 206 206 PRO CD C 13 51.156 0.10 . 1 . . . . . 206 P CD . 18595 1 1072 . 1 1 206 206 PRO N N 15 139.396 0.10 . 1 . . . . . 206 P N . 18595 1 1073 . 1 1 207 207 PHE C C 13 177.942 0.10 . 1 . . . . . 207 F C . 18595 1 1074 . 1 1 207 207 PHE CA C 13 63.601 0.10 . 1 . . . . . 207 F CA . 18595 1 1075 . 1 1 207 207 PHE CB C 13 38.795 0.10 . 1 . . . . . 207 F CB . 18595 1 1076 . 1 1 207 207 PHE CG C 13 137.867 0.10 . 1 . . . . . 207 F CG . 18595 1 1077 . 1 1 207 207 PHE N N 15 121.746 0.10 . 1 . . . . . 207 F N . 18595 1 1078 . 1 1 208 208 PHE C C 13 179.505 0.10 . 1 . . . . . 208 F C . 18595 1 1079 . 1 1 208 208 PHE CA C 13 63.4 0.10 . 1 . . . . . 208 F CA . 18595 1 1080 . 1 1 208 208 PHE CB C 13 38.813 0.10 . 1 . . . . . 208 F CB . 18595 1 1081 . 1 1 208 208 PHE CG C 13 141.581 0.10 . 1 . . . . . 208 F CG . 18595 1 1082 . 1 1 208 208 PHE N N 15 115.583 0.10 . 1 . . . . . 208 F N . 18595 1 1083 . 1 1 209 209 SER C C 13 171.324 0.10 . 1 . . . . . 209 S C . 18595 1 1084 . 1 1 209 209 SER CA C 13 60.523 0.10 . 1 . . . . . 209 S CA . 18595 1 1085 . 1 1 209 209 SER CB C 13 63.342 0.10 . 1 . . . . . 209 S CB . 18595 1 1086 . 1 1 209 209 SER N N 15 115.332 0.10 . 1 . . . . . 209 S N . 18595 1 1087 . 1 1 210 210 LYS C C 13 173.029 0.10 . 1 . . . . . 210 K C . 18595 1 1088 . 1 1 210 210 LYS CA C 13 57.244 0.10 . 1 . . . . . 210 K CA . 18595 1 1089 . 1 1 210 210 LYS CB C 13 33.288 0.10 . 1 . . . . . 210 K CB . 18595 1 1090 . 1 1 210 210 LYS CG C 13 29.435 0.10 . 1 . . . . . 210 K CG . 18595 1 1091 . 1 1 210 210 LYS CD C 13 30.327 0.10 . 1 . . . . . 210 K CD . 18595 1 1092 . 1 1 210 210 LYS CE C 13 55.67 0.10 . 1 . . . . . 210 K CE . 18595 1 1093 . 1 1 210 210 LYS N N 15 117.553 0.10 . 1 . . . . . 210 K N . 18595 1 1094 . 1 1 210 210 LYS NZ N 15 177.2 0.10 . 1 . . . . . 210 K NZ . 18595 1 1095 . 1 1 211 211 VAL C C 13 177.755 0.10 . 1 . . . . . 211 V C . 18595 1 1096 . 1 1 211 211 VAL CA C 13 65.549 0.10 . 1 . . . . . 211 V CA . 18595 1 1097 . 1 1 211 211 VAL CB C 13 31.582 0.10 . 1 . . . . . 211 V CB . 18595 1 1098 . 1 1 211 211 VAL CG1 C 13 23.516 0.10 . 2 . . . . . 211 V CG1 . 18595 1 1099 . 1 1 211 211 VAL CG2 C 13 22.021 0.10 . 2 . . . . . 211 V CG2 . 18595 1 1100 . 1 1 211 211 VAL N N 15 117.124 0.10 . 1 . . . . . 211 V N . 18595 1 1101 . 1 1 212 212 GLY C C 13 173.266 0.10 . 1 . . . . . 212 G C . 18595 1 1102 . 1 1 212 212 GLY CA C 13 48.279 0.10 . 1 . . . . . 212 G CA . 18595 1 1103 . 1 1 212 212 GLY N N 15 101.799 0.10 . 1 . . . . . 212 G N . 18595 1 1104 . 1 1 213 213 PHE C C 13 175.827 0.10 . 1 . . . . . 213 F C . 18595 1 1105 . 1 1 213 213 PHE CA C 13 62.001 0.10 . 1 . . . . . 213 F CA . 18595 1 1106 . 1 1 213 213 PHE CB C 13 40.337 0.10 . 1 . . . . . 213 F CB . 18595 1 1107 . 1 1 213 213 PHE CG C 13 137.863 0.10 . 1 . . . . . 213 F CG . 18595 1 1108 . 1 1 213 213 PHE N N 15 120.244 0.10 . 1 . . . . . 213 F N . 18595 1 1109 . 1 1 214 214 SER C C 13 175.213 0.10 . 1 . . . . . 214 S C . 18595 1 1110 . 1 1 214 214 SER CA C 13 62.717 0.10 . 1 . . . . . 214 S CA . 18595 1 1111 . 1 1 214 214 SER N N 15 116.614 0.10 . 1 . . . . . 214 S N . 18595 1 1112 . 1 1 215 215 PHE C C 13 176.33 0.10 . 1 . . . . . 215 F C . 18595 1 1113 . 1 1 215 215 PHE CA C 13 63.044 0.10 . 1 . . . . . 215 F CA . 18595 1 1114 . 1 1 215 215 PHE CB C 13 40.267 0.10 . 1 . . . . . 215 F CB . 18595 1 1115 . 1 1 215 215 PHE N N 15 120.627 0.10 . 1 . . . . . 215 F N . 18595 1 1116 . 1 1 216 216 LEU C C 13 179.962 0.10 . 1 . . . . . 216 L C . 18595 1 1117 . 1 1 216 216 LEU CA C 13 57.364 0.10 . 1 . . . . . 216 L CA . 18595 1 1118 . 1 1 216 216 LEU CB C 13 42.83 0.10 . 1 . . . . . 216 L CB . 18595 1 1119 . 1 1 216 216 LEU CG C 13 22.659 0.10 . 1 . . . . . 216 L CG . 18595 1 1120 . 1 1 216 216 LEU N N 15 118.977 0.10 . 1 . . . . . 216 L N . 18595 1 1121 . 1 1 217 217 ASP C C 13 177.057 0.10 . 1 . . . . . 217 D C . 18595 1 1122 . 1 1 217 217 ASP CA C 13 57.809 0.10 . 1 . . . . . 217 D CA . 18595 1 1123 . 1 1 217 217 ASP CB C 13 42.233 0.10 . 1 . . . . . 217 D CB . 18595 1 1124 . 1 1 217 217 ASP CG C 13 176.14 0.10 . 1 . . . . . 217 D CG . 18595 1 1125 . 1 1 217 217 ASP N N 15 121.279 0.10 . 1 . . . . . 217 D N . 18595 1 1126 . 1 1 218 218 LEU C C 13 180.782 0.10 . 1 . . . . . 218 L C . 18595 1 1127 . 1 1 218 218 LEU CA C 13 57.981 0.10 . 1 . . . . . 218 L CA . 18595 1 1128 . 1 1 218 218 LEU CB C 13 41.903 0.10 . 1 . . . . . 218 L CB . 18595 1 1129 . 1 1 218 218 LEU CG C 13 26.053 0.10 . 1 . . . . . 218 L CG . 18595 1 1130 . 1 1 218 218 LEU CD1 C 13 25.857 0.10 . 2 . . . . . 218 L CD1 . 18595 1 1131 . 1 1 218 218 LEU CD2 C 13 21.483 0.10 . 2 . . . . . 218 L CD2 . 18595 1 1132 . 1 1 218 218 LEU N N 15 115.067 0.10 . 1 . . . . . 218 L N . 18595 1 1133 . 1 1 219 219 HIS C C 13 178.294 0.10 . 1 . . . . . 219 H C . 18595 1 1134 . 1 1 219 219 HIS CA C 13 61.39 0.10 . 1 . . . . . 219 H CA . 18595 1 1135 . 1 1 219 219 HIS CB C 13 31.64 0.10 . 1 . . . . . 219 H CB . 18595 1 1136 . 1 1 219 219 HIS N N 15 114.175 0.10 . 1 . . . . . 219 H N . 18595 1 1137 . 1 1 220 220 GLY C C 13 176.686 0.10 . 1 . . . . . 220 G C . 18595 1 1138 . 1 1 220 220 GLY CA C 13 47.445 0.10 . 1 . . . . . 220 G CA . 18595 1 1139 . 1 1 220 220 GLY N N 15 109.67 0.10 . 1 . . . . . 220 G N . 18595 1 1140 . 1 1 221 221 LEU C C 13 179.354 0.10 . 1 . . . . . 221 L C . 18595 1 1141 . 1 1 221 221 LEU CA C 13 57.618 0.10 . 1 . . . . . 221 L CA . 18595 1 1142 . 1 1 221 221 LEU CB C 13 41.473 0.10 . 1 . . . . . 221 L CB . 18595 1 1143 . 1 1 221 221 LEU N N 15 123.996 0.10 . 1 . . . . . 221 L N . 18595 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 18595 _Assigned_chem_shift_list.ID 2 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 'Residues showing double resonances.' _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 NCA' . . . 18595 2 2 '2D NCO' . . . 18595 2 3 '3D CONCA' . . . 18595 2 4 '3D NCACX' . . . 18595 2 5 '3D NCOCX' . . . 18595 2 6 '2D CC (DARR)' . . . 18595 2 7 '2D NCA' . . . 18595 2 8 '2D NCO' . . . 18595 2 9 '3D NCACX' . . . 18595 2 10 '3D NCOCX' . . . 18595 2 11 '2D CC (DARR)' . . . 18595 2 12 '2D NCA' . . . 18595 2 13 '2D NCO' . . . 18595 2 14 '3D NCACX' . . . 18595 2 15 '3D NCOCX' . . . 18595 2 16 '2D CC (DARR)' . . . 18595 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 41 41 MET C C 13 176.5 0.10 . 1 . . . . . 41 M C . 18595 2 2 . 1 1 41 41 MET CA C 13 59.6 0.10 . 1 . . . . . 41 M CA . 18595 2 3 . 1 1 41 41 MET CB C 13 36.8 0.10 . 1 . . . . . 41 M CB . 18595 2 4 . 1 1 41 41 MET CG C 13 35.3 0.10 . 1 . . . . . 41 M CG . 18595 2 5 . 1 1 41 41 MET N N 15 110.7 0.10 . 1 . . . . . 41 M N . 18595 2 6 . 1 1 42 42 PHE C C 13 177.2 0.10 . 1 . . . . . 42 F C . 18595 2 7 . 1 1 42 42 PHE CA C 13 63 0.10 . 1 . . . . . 42 F CA . 18595 2 8 . 1 1 42 42 PHE CB C 13 40 0.10 . 1 . . . . . 42 F CB . 18595 2 9 . 1 1 42 42 PHE CG C 13 139.194 0.10 . 1 . . . . . 42 F CG . 18595 2 10 . 1 1 42 42 PHE N N 15 119.4 0.10 . 1 . . . . . 42 F N . 18595 2 11 . 1 1 91 91 ALA C C 13 177.259 0.10 . 1 . . . . . 91 A C . 18595 2 12 . 1 1 91 91 ALA CA C 13 53.7 0.10 . 1 . . . . . 91 A CA . 18595 2 13 . 1 1 91 91 ALA CB C 13 18.785 0.10 . 1 . . . . . 91 A CB . 18595 2 14 . 1 1 91 91 ALA N N 15 120.364 0.10 . 1 . . . . . 91 A N . 18595 2 15 . 1 1 92 92 MET C C 13 176.794 0.10 . 1 . . . . . 92 M C . 18595 2 16 . 1 1 92 92 MET CA C 13 53.35 0.10 . 1 . . . . . 92 M CA . 18595 2 17 . 1 1 92 92 MET CB C 13 33.194 0.10 . 1 . . . . . 92 M CB . 18595 2 18 . 1 1 92 92 MET CG C 13 34.106 0.10 . 1 . . . . . 92 M CG . 18595 2 19 . 1 1 92 92 MET CE C 13 17.235 0.10 . 1 . . . . . 92 M CE . 18595 2 20 . 1 1 92 92 MET N N 15 109.7 0.10 . 1 . . . . . 92 M N . 18595 2 21 . 1 1 95 95 ILE C C 13 174.599 0.10 . 1 . . . . . 95 I C . 18595 2 22 . 1 1 95 95 ILE CA C 13 59.1 0.10 . 1 . . . . . 95 I CA . 18595 2 23 . 1 1 95 95 ILE CB C 13 42.9 0.10 . 1 . . . . . 95 I CB . 18595 2 24 . 1 1 95 95 ILE CG1 C 13 24.322 0.10 . 1 . . . . . 95 I CG1 . 18595 2 25 . 1 1 95 95 ILE CG2 C 13 17.348 0.10 . 1 . . . . . 95 I CG2 . 18595 2 26 . 1 1 95 95 ILE CD1 C 13 15.743 0.10 . 1 . . . . . 95 I CD1 . 18595 2 27 . 1 1 95 95 ILE N N 15 111.127 0.10 . 1 . . . . . 95 I N . 18595 2 28 . 1 1 152 152 ALA C C 13 180.3 0.10 . 1 . . . . . 152 A C . 18595 2 29 . 1 1 152 152 ALA CA C 13 54.3 0.10 . 1 . . . . . 152 A CA . 18595 2 30 . 1 1 152 152 ALA CB C 13 17.972 0.10 . 1 . . . . . 152 A CB . 18595 2 31 . 1 1 152 152 ALA N N 15 119.4 0.10 . 1 . . . . . 152 A N . 18595 2 32 . 1 1 153 153 LYS C C 13 176.34 0.10 . 1 . . . . . 153 K C . 18595 2 33 . 1 1 153 153 LYS CA C 13 56 0.10 . 1 . . . . . 153 K CA . 18595 2 34 . 1 1 153 153 LYS N N 15 115.2 0.10 . 1 . . . . . 153 K N . 18595 2 35 . 1 1 165 165 TYR C C 13 176.029 0.10 . 1 . . . . . 165 Y C . 18595 2 36 . 1 1 165 165 TYR CA C 13 63.4 0.10 . 1 . . . . . 165 Y CA . 18595 2 37 . 1 1 165 165 TYR CB C 13 38.632 0.10 . 1 . . . . . 165 Y CB . 18595 2 38 . 1 1 165 165 TYR CG C 13 129.412 0.10 . 1 . . . . . 165 Y CG . 18595 2 39 . 1 1 165 165 TYR CD2 C 13 133.236 0.10 . 3 . . . . . 165 Y CD2 . 18595 2 40 . 1 1 165 165 TYR CE1 C 13 115.281 0.10 . 3 . . . . . 165 Y CE1 . 18595 2 41 . 1 1 165 165 TYR CE2 C 13 119.303 0.10 . 3 . . . . . 165 Y CE2 . 18595 2 42 . 1 1 165 165 TYR CZ C 13 158.197 0.10 . 1 . . . . . 165 Y CZ . 18595 2 43 . 1 1 165 165 TYR N N 15 119.062 0.10 . 1 . . . . . 165 Y N . 18595 2 stop_ save_