data_19558 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19558 _Entry.Title ; Backbone and stereospecific Methyl Ile(d1), Leu and Val chemical shift assignment of Crc ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-10-15 _Entry.Accession_date 2013-10-15 _Entry.Last_release_date 2014-02-12 _Entry.Original_release_date 2014-02-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Crc is a global regulator in Pseudomonads. The gene was identified in Lz4W strain of Antarctic bacteria.' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Rakhi Sharma . . . 19558 2 'Malay Kumar' Ray . K. . 19558 3 Mandar Deshmukh . V. . 19558 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Centre for Cellular and Molecular Biology' . 19558 2 . 'Council of Scientific and Industrial Research' . 19558 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19558 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 827 19558 '15N chemical shifts' 235 19558 '1H chemical shifts' 484 19558 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-02-12 2013-10-15 original author . 19558 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19558 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24496608 _Citation.Full_citation . _Citation.Title 'Backbone and stereospecific (13)C methyl Ile (1), Leu and Val side-chain chemical shift assignments of Crc.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Rakhi Sharma . . . 19558 1 2 Bhubanananda Sahu . . . 19558 1 3 Malay Ray . K. . 19558 1 4 Mandar Deshmukh . V. . 19558 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Carbon catabolite repression' 19558 1 CCR 19558 1 Crc 19558 1 Pseudomonads 19558 1 'RNA binding protein' 19558 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19558 _Assembly.ID 1 _Assembly.Name Crc _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 30721.6 _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 Crc_1 1 $Crc A . yes native no no . . . 19558 1 2 Crc_2 1 $Crc A . yes native no no . . . 19558 1 3 Crc_3 1 $Crc A . yes native no no . . . 19558 1 4 Crc_4 1 $Crc A . yes native no no . . . 19558 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Crc _Entity.Sf_category entity _Entity.Sf_framecode Crc _Entity.Entry_ID 19558 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Crc _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 ; MRIISVNVNGIQTAVERGLL SWLQAQNADVICLQDTRASA FELDDPAYQLDGYFLYACEA EVPAQGGVALYSRLQPKAVI TGLGFETADRYGRYLQADFD KVSIATLLLPSGQNGDEDLN QKFKLMDDFARYLDKQRRKR REYIYCGSLYVAQQKLDIKN WRDSQQSPGFLAPERAWMDE IVGNMGYVDALREVSREGDQ YSWWPDNEQAEMLNLGWRFD YQLLTPGLRRFVRSARLPRQ PRFSQHAPLIVDYDWTLTIH HHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 265 _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 30721.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAO65357 . "exodeoxyribonuclease III [Pseudomonas protegens Cab57]" . . . . . 97.74 259 98.07 99.61 0.00e+00 . . . . 19558 1 2 no DBJ BAP42285 . "exodeoxyribonuclease III [Pseudomonas sp. StFLB209]" . . . . . 97.36 259 96.90 98.84 0.00e+00 . . . . 19558 1 3 no DBJ BAQ77708 . "exodeoxyribonuclease III [Pseudomonas sp. Os17]" . . . . . 97.74 259 98.07 99.61 0.00e+00 . . . . 19558 1 4 no DBJ BAQ83908 . "exodeoxyribonuclease III [Pseudomonas sp. St29]" . . . . . 97.74 259 98.07 99.61 0.00e+00 . . . . 19558 1 5 no EMBL CAY53517 . "putative exodeoxyribonuclease III [Pseudomonas fluorescens SBW25]" . . . . . 97.74 259 98.07 99.23 0.00e+00 . . . . 19558 1 6 no EMBL CDF96299 . "Exodeoxyribonuclease III [Pseudomonas sp. SHC52]" . . . . . 97.74 259 97.68 98.84 0.00e+00 . . . . 19558 1 7 no EMBL CEL32310 . "Exodeoxyribonuclease [Pseudomonas fluorescens]" . . . . . 97.74 259 96.91 98.84 0.00e+00 . . . . 19558 1 8 no GB AAT80896 . "catabolite repression control protein [Pseudomonas fluorescens]" . . . . . 97.74 259 98.07 99.23 0.00e+00 . . . . 19558 1 9 no GB AAY95245 . "putative exodeoxyribonuclease III [Pseudomonas protegens Pf-5]" . . . . . 97.74 259 98.07 99.61 0.00e+00 . . . . 19558 1 10 no GB ABA77282 . "catabolite repression control protein [Pseudomonas fluorescens Pf0-1]" . . . . . 97.74 259 96.91 98.84 0.00e+00 . . . . 19558 1 11 no GB AEA72053 . "catabolite repression control protein [Pseudomonas brassicacearum subsp. brassicacearum NFM421]" . . . . . 97.74 259 97.68 98.84 0.00e+00 . . . . 19558 1 12 no GB AEV65739 . "Crc [Pseudomonas fluorescens F113]" . . . . . 97.74 259 97.68 98.84 0.00e+00 . . . . 19558 1 13 no REF WP_003176915 . "MULTISPECIES: exodeoxyribonuclease III [Pseudomonas]" . . . . . 97.74 259 98.46 99.61 0.00e+00 . . . . 19558 1 14 no REF WP_003177265 . "MULTISPECIES: exodeoxyribonuclease III [Pseudomonas]" . . . . . 97.74 259 98.07 98.84 0.00e+00 . . . . 19558 1 15 no REF WP_003195493 . "MULTISPECIES: exodeoxyribonuclease III [Pseudomonas]" . . . . . 97.74 259 98.07 99.23 0.00e+00 . . . . 19558 1 16 no REF WP_003229491 . "MULTISPECIES: exodeoxyribonuclease III [Pseudomonas]" . . . . . 97.74 259 97.30 98.84 0.00e+00 . . . . 19558 1 17 no REF WP_003437806 . "MULTISPECIES: exodeoxyribonuclease III [Pseudomonas]" . . . . . 97.74 259 100.00 100.00 0.00e+00 . . . . 19558 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Crc is one of the global regulators in Pseudomonads. It is proposed to regulate genes by binding target RNA and prevent the formation of a translation initiation complex' 19558 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 19558 1 2 2 ARG . 19558 1 3 3 ILE . 19558 1 4 4 ILE . 19558 1 5 5 SER . 19558 1 6 6 VAL . 19558 1 7 7 ASN . 19558 1 8 8 VAL . 19558 1 9 9 ASN . 19558 1 10 10 GLY . 19558 1 11 11 ILE . 19558 1 12 12 GLN . 19558 1 13 13 THR . 19558 1 14 14 ALA . 19558 1 15 15 VAL . 19558 1 16 16 GLU . 19558 1 17 17 ARG . 19558 1 18 18 GLY . 19558 1 19 19 LEU . 19558 1 20 20 LEU . 19558 1 21 21 SER . 19558 1 22 22 TRP . 19558 1 23 23 LEU . 19558 1 24 24 GLN . 19558 1 25 25 ALA . 19558 1 26 26 GLN . 19558 1 27 27 ASN . 19558 1 28 28 ALA . 19558 1 29 29 ASP . 19558 1 30 30 VAL . 19558 1 31 31 ILE . 19558 1 32 32 CYS . 19558 1 33 33 LEU . 19558 1 34 34 GLN . 19558 1 35 35 ASP . 19558 1 36 36 THR . 19558 1 37 37 ARG . 19558 1 38 38 ALA . 19558 1 39 39 SER . 19558 1 40 40 ALA . 19558 1 41 41 PHE . 19558 1 42 42 GLU . 19558 1 43 43 LEU . 19558 1 44 44 ASP . 19558 1 45 45 ASP . 19558 1 46 46 PRO . 19558 1 47 47 ALA . 19558 1 48 48 TYR . 19558 1 49 49 GLN . 19558 1 50 50 LEU . 19558 1 51 51 ASP . 19558 1 52 52 GLY . 19558 1 53 53 TYR . 19558 1 54 54 PHE . 19558 1 55 55 LEU . 19558 1 56 56 TYR . 19558 1 57 57 ALA . 19558 1 58 58 CYS . 19558 1 59 59 GLU . 19558 1 60 60 ALA . 19558 1 61 61 GLU . 19558 1 62 62 VAL . 19558 1 63 63 PRO . 19558 1 64 64 ALA . 19558 1 65 65 GLN . 19558 1 66 66 GLY . 19558 1 67 67 GLY . 19558 1 68 68 VAL . 19558 1 69 69 ALA . 19558 1 70 70 LEU . 19558 1 71 71 TYR . 19558 1 72 72 SER . 19558 1 73 73 ARG . 19558 1 74 74 LEU . 19558 1 75 75 GLN . 19558 1 76 76 PRO . 19558 1 77 77 LYS . 19558 1 78 78 ALA . 19558 1 79 79 VAL . 19558 1 80 80 ILE . 19558 1 81 81 THR . 19558 1 82 82 GLY . 19558 1 83 83 LEU . 19558 1 84 84 GLY . 19558 1 85 85 PHE . 19558 1 86 86 GLU . 19558 1 87 87 THR . 19558 1 88 88 ALA . 19558 1 89 89 ASP . 19558 1 90 90 ARG . 19558 1 91 91 TYR . 19558 1 92 92 GLY . 19558 1 93 93 ARG . 19558 1 94 94 TYR . 19558 1 95 95 LEU . 19558 1 96 96 GLN . 19558 1 97 97 ALA . 19558 1 98 98 ASP . 19558 1 99 99 PHE . 19558 1 100 100 ASP . 19558 1 101 101 LYS . 19558 1 102 102 VAL . 19558 1 103 103 SER . 19558 1 104 104 ILE . 19558 1 105 105 ALA . 19558 1 106 106 THR . 19558 1 107 107 LEU . 19558 1 108 108 LEU . 19558 1 109 109 LEU . 19558 1 110 110 PRO . 19558 1 111 111 SER . 19558 1 112 112 GLY . 19558 1 113 113 GLN . 19558 1 114 114 ASN . 19558 1 115 115 GLY . 19558 1 116 116 ASP . 19558 1 117 117 GLU . 19558 1 118 118 ASP . 19558 1 119 119 LEU . 19558 1 120 120 ASN . 19558 1 121 121 GLN . 19558 1 122 122 LYS . 19558 1 123 123 PHE . 19558 1 124 124 LYS . 19558 1 125 125 LEU . 19558 1 126 126 MET . 19558 1 127 127 ASP . 19558 1 128 128 ASP . 19558 1 129 129 PHE . 19558 1 130 130 ALA . 19558 1 131 131 ARG . 19558 1 132 132 TYR . 19558 1 133 133 LEU . 19558 1 134 134 ASP . 19558 1 135 135 LYS . 19558 1 136 136 GLN . 19558 1 137 137 ARG . 19558 1 138 138 ARG . 19558 1 139 139 LYS . 19558 1 140 140 ARG . 19558 1 141 141 ARG . 19558 1 142 142 GLU . 19558 1 143 143 TYR . 19558 1 144 144 ILE . 19558 1 145 145 TYR . 19558 1 146 146 CYS . 19558 1 147 147 GLY . 19558 1 148 148 SER . 19558 1 149 149 LEU . 19558 1 150 150 TYR . 19558 1 151 151 VAL . 19558 1 152 152 ALA . 19558 1 153 153 GLN . 19558 1 154 154 GLN . 19558 1 155 155 LYS . 19558 1 156 156 LEU . 19558 1 157 157 ASP . 19558 1 158 158 ILE . 19558 1 159 159 LYS . 19558 1 160 160 ASN . 19558 1 161 161 TRP . 19558 1 162 162 ARG . 19558 1 163 163 ASP . 19558 1 164 164 SER . 19558 1 165 165 GLN . 19558 1 166 166 GLN . 19558 1 167 167 SER . 19558 1 168 168 PRO . 19558 1 169 169 GLY . 19558 1 170 170 PHE . 19558 1 171 171 LEU . 19558 1 172 172 ALA . 19558 1 173 173 PRO . 19558 1 174 174 GLU . 19558 1 175 175 ARG . 19558 1 176 176 ALA . 19558 1 177 177 TRP . 19558 1 178 178 MET . 19558 1 179 179 ASP . 19558 1 180 180 GLU . 19558 1 181 181 ILE . 19558 1 182 182 VAL . 19558 1 183 183 GLY . 19558 1 184 184 ASN . 19558 1 185 185 MET . 19558 1 186 186 GLY . 19558 1 187 187 TYR . 19558 1 188 188 VAL . 19558 1 189 189 ASP . 19558 1 190 190 ALA . 19558 1 191 191 LEU . 19558 1 192 192 ARG . 19558 1 193 193 GLU . 19558 1 194 194 VAL . 19558 1 195 195 SER . 19558 1 196 196 ARG . 19558 1 197 197 GLU . 19558 1 198 198 GLY . 19558 1 199 199 ASP . 19558 1 200 200 GLN . 19558 1 201 201 TYR . 19558 1 202 202 SER . 19558 1 203 203 TRP . 19558 1 204 204 TRP . 19558 1 205 205 PRO . 19558 1 206 206 ASP . 19558 1 207 207 ASN . 19558 1 208 208 GLU . 19558 1 209 209 GLN . 19558 1 210 210 ALA . 19558 1 211 211 GLU . 19558 1 212 212 MET . 19558 1 213 213 LEU . 19558 1 214 214 ASN . 19558 1 215 215 LEU . 19558 1 216 216 GLY . 19558 1 217 217 TRP . 19558 1 218 218 ARG . 19558 1 219 219 PHE . 19558 1 220 220 ASP . 19558 1 221 221 TYR . 19558 1 222 222 GLN . 19558 1 223 223 LEU . 19558 1 224 224 LEU . 19558 1 225 225 THR . 19558 1 226 226 PRO . 19558 1 227 227 GLY . 19558 1 228 228 LEU . 19558 1 229 229 ARG . 19558 1 230 230 ARG . 19558 1 231 231 PHE . 19558 1 232 232 VAL . 19558 1 233 233 ARG . 19558 1 234 234 SER . 19558 1 235 235 ALA . 19558 1 236 236 ARG . 19558 1 237 237 LEU . 19558 1 238 238 PRO . 19558 1 239 239 ARG . 19558 1 240 240 GLN . 19558 1 241 241 PRO . 19558 1 242 242 ARG . 19558 1 243 243 PHE . 19558 1 244 244 SER . 19558 1 245 245 GLN . 19558 1 246 246 HIS . 19558 1 247 247 ALA . 19558 1 248 248 PRO . 19558 1 249 249 LEU . 19558 1 250 250 ILE . 19558 1 251 251 VAL . 19558 1 252 252 ASP . 19558 1 253 253 TYR . 19558 1 254 254 ASP . 19558 1 255 255 TRP . 19558 1 256 256 THR . 19558 1 257 257 LEU . 19558 1 258 258 THR . 19558 1 259 259 ILE . 19558 1 260 260 HIS . 19558 1 261 261 HIS . 19558 1 262 262 HIS . 19558 1 263 263 HIS . 19558 1 264 264 HIS . 19558 1 265 265 HIS . 19558 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 19558 1 . ARG 2 2 19558 1 . ILE 3 3 19558 1 . ILE 4 4 19558 1 . SER 5 5 19558 1 . VAL 6 6 19558 1 . ASN 7 7 19558 1 . VAL 8 8 19558 1 . ASN 9 9 19558 1 . GLY 10 10 19558 1 . ILE 11 11 19558 1 . GLN 12 12 19558 1 . THR 13 13 19558 1 . ALA 14 14 19558 1 . VAL 15 15 19558 1 . GLU 16 16 19558 1 . ARG 17 17 19558 1 . GLY 18 18 19558 1 . LEU 19 19 19558 1 . LEU 20 20 19558 1 . SER 21 21 19558 1 . TRP 22 22 19558 1 . LEU 23 23 19558 1 . GLN 24 24 19558 1 . ALA 25 25 19558 1 . GLN 26 26 19558 1 . ASN 27 27 19558 1 . ALA 28 28 19558 1 . ASP 29 29 19558 1 . VAL 30 30 19558 1 . ILE 31 31 19558 1 . CYS 32 32 19558 1 . LEU 33 33 19558 1 . GLN 34 34 19558 1 . ASP 35 35 19558 1 . THR 36 36 19558 1 . ARG 37 37 19558 1 . ALA 38 38 19558 1 . SER 39 39 19558 1 . ALA 40 40 19558 1 . PHE 41 41 19558 1 . GLU 42 42 19558 1 . LEU 43 43 19558 1 . ASP 44 44 19558 1 . ASP 45 45 19558 1 . PRO 46 46 19558 1 . ALA 47 47 19558 1 . TYR 48 48 19558 1 . GLN 49 49 19558 1 . LEU 50 50 19558 1 . ASP 51 51 19558 1 . GLY 52 52 19558 1 . TYR 53 53 19558 1 . PHE 54 54 19558 1 . LEU 55 55 19558 1 . TYR 56 56 19558 1 . ALA 57 57 19558 1 . CYS 58 58 19558 1 . GLU 59 59 19558 1 . ALA 60 60 19558 1 . GLU 61 61 19558 1 . VAL 62 62 19558 1 . PRO 63 63 19558 1 . ALA 64 64 19558 1 . GLN 65 65 19558 1 . GLY 66 66 19558 1 . GLY 67 67 19558 1 . VAL 68 68 19558 1 . ALA 69 69 19558 1 . LEU 70 70 19558 1 . TYR 71 71 19558 1 . SER 72 72 19558 1 . ARG 73 73 19558 1 . LEU 74 74 19558 1 . GLN 75 75 19558 1 . PRO 76 76 19558 1 . LYS 77 77 19558 1 . ALA 78 78 19558 1 . VAL 79 79 19558 1 . ILE 80 80 19558 1 . THR 81 81 19558 1 . GLY 82 82 19558 1 . LEU 83 83 19558 1 . GLY 84 84 19558 1 . PHE 85 85 19558 1 . GLU 86 86 19558 1 . THR 87 87 19558 1 . ALA 88 88 19558 1 . ASP 89 89 19558 1 . ARG 90 90 19558 1 . TYR 91 91 19558 1 . GLY 92 92 19558 1 . ARG 93 93 19558 1 . TYR 94 94 19558 1 . LEU 95 95 19558 1 . GLN 96 96 19558 1 . ALA 97 97 19558 1 . ASP 98 98 19558 1 . PHE 99 99 19558 1 . ASP 100 100 19558 1 . LYS 101 101 19558 1 . VAL 102 102 19558 1 . SER 103 103 19558 1 . ILE 104 104 19558 1 . ALA 105 105 19558 1 . THR 106 106 19558 1 . LEU 107 107 19558 1 . LEU 108 108 19558 1 . LEU 109 109 19558 1 . PRO 110 110 19558 1 . SER 111 111 19558 1 . GLY 112 112 19558 1 . GLN 113 113 19558 1 . ASN 114 114 19558 1 . GLY 115 115 19558 1 . ASP 116 116 19558 1 . GLU 117 117 19558 1 . ASP 118 118 19558 1 . LEU 119 119 19558 1 . ASN 120 120 19558 1 . GLN 121 121 19558 1 . LYS 122 122 19558 1 . PHE 123 123 19558 1 . LYS 124 124 19558 1 . LEU 125 125 19558 1 . MET 126 126 19558 1 . ASP 127 127 19558 1 . ASP 128 128 19558 1 . PHE 129 129 19558 1 . ALA 130 130 19558 1 . ARG 131 131 19558 1 . TYR 132 132 19558 1 . LEU 133 133 19558 1 . ASP 134 134 19558 1 . LYS 135 135 19558 1 . GLN 136 136 19558 1 . ARG 137 137 19558 1 . ARG 138 138 19558 1 . LYS 139 139 19558 1 . ARG 140 140 19558 1 . ARG 141 141 19558 1 . GLU 142 142 19558 1 . TYR 143 143 19558 1 . ILE 144 144 19558 1 . TYR 145 145 19558 1 . CYS 146 146 19558 1 . GLY 147 147 19558 1 . SER 148 148 19558 1 . LEU 149 149 19558 1 . TYR 150 150 19558 1 . VAL 151 151 19558 1 . ALA 152 152 19558 1 . GLN 153 153 19558 1 . GLN 154 154 19558 1 . LYS 155 155 19558 1 . LEU 156 156 19558 1 . ASP 157 157 19558 1 . ILE 158 158 19558 1 . LYS 159 159 19558 1 . ASN 160 160 19558 1 . TRP 161 161 19558 1 . ARG 162 162 19558 1 . ASP 163 163 19558 1 . SER 164 164 19558 1 . GLN 165 165 19558 1 . GLN 166 166 19558 1 . SER 167 167 19558 1 . PRO 168 168 19558 1 . GLY 169 169 19558 1 . PHE 170 170 19558 1 . LEU 171 171 19558 1 . ALA 172 172 19558 1 . PRO 173 173 19558 1 . GLU 174 174 19558 1 . ARG 175 175 19558 1 . ALA 176 176 19558 1 . TRP 177 177 19558 1 . MET 178 178 19558 1 . ASP 179 179 19558 1 . GLU 180 180 19558 1 . ILE 181 181 19558 1 . VAL 182 182 19558 1 . GLY 183 183 19558 1 . ASN 184 184 19558 1 . MET 185 185 19558 1 . GLY 186 186 19558 1 . TYR 187 187 19558 1 . VAL 188 188 19558 1 . ASP 189 189 19558 1 . ALA 190 190 19558 1 . LEU 191 191 19558 1 . ARG 192 192 19558 1 . GLU 193 193 19558 1 . VAL 194 194 19558 1 . SER 195 195 19558 1 . ARG 196 196 19558 1 . GLU 197 197 19558 1 . GLY 198 198 19558 1 . ASP 199 199 19558 1 . GLN 200 200 19558 1 . TYR 201 201 19558 1 . SER 202 202 19558 1 . TRP 203 203 19558 1 . TRP 204 204 19558 1 . PRO 205 205 19558 1 . ASP 206 206 19558 1 . ASN 207 207 19558 1 . GLU 208 208 19558 1 . GLN 209 209 19558 1 . ALA 210 210 19558 1 . GLU 211 211 19558 1 . MET 212 212 19558 1 . LEU 213 213 19558 1 . ASN 214 214 19558 1 . LEU 215 215 19558 1 . GLY 216 216 19558 1 . TRP 217 217 19558 1 . ARG 218 218 19558 1 . PHE 219 219 19558 1 . ASP 220 220 19558 1 . TYR 221 221 19558 1 . GLN 222 222 19558 1 . LEU 223 223 19558 1 . LEU 224 224 19558 1 . THR 225 225 19558 1 . PRO 226 226 19558 1 . GLY 227 227 19558 1 . LEU 228 228 19558 1 . ARG 229 229 19558 1 . ARG 230 230 19558 1 . PHE 231 231 19558 1 . VAL 232 232 19558 1 . ARG 233 233 19558 1 . SER 234 234 19558 1 . ALA 235 235 19558 1 . ARG 236 236 19558 1 . LEU 237 237 19558 1 . PRO 238 238 19558 1 . ARG 239 239 19558 1 . GLN 240 240 19558 1 . PRO 241 241 19558 1 . ARG 242 242 19558 1 . PHE 243 243 19558 1 . SER 244 244 19558 1 . GLN 245 245 19558 1 . HIS 246 246 19558 1 . ALA 247 247 19558 1 . PRO 248 248 19558 1 . LEU 249 249 19558 1 . ILE 250 250 19558 1 . VAL 251 251 19558 1 . ASP 252 252 19558 1 . TYR 253 253 19558 1 . ASP 254 254 19558 1 . TRP 255 255 19558 1 . THR 256 256 19558 1 . LEU 257 257 19558 1 . THR 258 258 19558 1 . ILE 259 259 19558 1 . HIS 260 260 19558 1 . HIS 261 261 19558 1 . HIS 262 262 19558 1 . HIS 263 263 19558 1 . HIS 264 264 19558 1 . HIS 265 265 19558 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 19558 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Crc . 317 Bacteria . 'Pseudomonas syringae' g-proteobacteria . . Bacteria . Pseudomonas syringae LZ4W . . . . . . . . . . . . . . . crc . . . . 19558 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 19558 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Crc . 'recombinant technology' 'Pseudomonas syringae' . . . Pseudomonas syringae LZ4W . . . . . . . . . . . . . . . pET22b . . . 'crc gene from Pseudomonas syringae was cloned into pET22b over-expression vector.' . . 19558 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19558 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Crc '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $Crc . . . 350 600 uM . . . . 19558 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19558 1 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19558 1 4 'Potassium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 19558 1 5 Na2SO4 'natural abundance' . . . . . . 100 . . mM . . . . 19558 1 6 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19558 1 7 Proline 'natural abundance' . . . . . . 10 . . mM . . . . 19558 1 8 Arginine 'natural abundance' . . . . . . 25 . . mM . . . . 19558 1 9 Glutamate 'natural abundance' . . . . . . 25 . . mM . . . . 19558 1 10 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19558 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19558 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Crc 'natural abundance' . . 1 $Crc . . . 350 600 uM . . . . 19558 2 2 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19558 2 3 'Potassium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 19558 2 4 Na2SO4 'natural abundance' . . . . . . 100 . . mM . . . . 19558 2 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19558 2 6 Proline 'natural abundance' . . . . . . 10 . . mM . . . . 19558 2 7 Arginine 'natural abundance' . . . . . . 25 . . mM . . . . 19558 2 8 Glutamate 'natural abundance' . . . . . . 25 . . mM . . . . 19558 2 9 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19558 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19558 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Crc '[U-100% 15N]' . . 1 $Crc . . . 350 600 uM . . . . 19558 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19558 3 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19558 3 4 'Potassium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 19558 3 5 Na2SO4 'natural abundance' . . . . . . 100 . . mM . . . . 19558 3 6 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19558 3 7 Proline 'natural abundance' . . . . . . 10 . . mM . . . . 19558 3 8 Arginine 'natural abundance' . . . . . . 25 . . mM . . . . 19558 3 9 Glutamate 'natural abundance' . . . . . . 25 . . mM . . . . 19558 3 10 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19558 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19558 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Crc '[U-10% 13C]' . . 1 $Crc . . . 350 600 uM . . . . 19558 4 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19558 4 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19558 4 4 'Potassium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 19558 4 5 Na2SO4 'natural abundance' . . . . . . 100 . . mM . . . . 19558 4 6 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19558 4 7 Proline 'natural abundance' . . . . . . 10 . . mM . . . . 19558 4 8 Arginine 'natural abundance' . . . . . . 25 . . mM . . . . 19558 4 9 Glutamate 'natural abundance' . . . . . . 25 . . mM . . . . 19558 4 10 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19558 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 19558 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Crc '[U-13C,1H Methyl Ile(d1), Leu, Val; U-100% 15N; U-100% 2H]' . . 1 $Crc . . . 350 600 uM . . . . 19558 5 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19558 5 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19558 5 4 'Potassium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 19558 5 5 Na2SO4 'natural abundance' . . . . . . 100 . . mM . . . . 19558 5 6 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19558 5 7 Proline 'natural abundance' . . . . . . 10 . . mM . . . . 19558 5 8 Arginine 'natural abundance' . . . . . . 25 . . mM . . . . 19558 5 9 Glutamate 'natural abundance' . . . . . . 25 . . mM . . . . 19558 5 10 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19558 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 19558 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Crc '[U-13C,1H Methyl Ile(d1), Leu, Val; U-100% 15N; U-100% 2H]' . . 1 $Crc . . . 350 600 uM . . . . 19558 6 2 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19558 6 3 'Potassium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 19558 6 4 Na2SO4 'natural abundance' . . . . . . 100 . . mM . . . . 19558 6 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19558 6 6 Proline 'natural abundance' . . . . . . 10 . . mM . . . . 19558 6 7 Arginine 'natural abundance' . . . . . . 25 . . mM . . . . 19558 6 8 Glutamate 'natural abundance' . . . . . . 25 . . mM . . . . 19558 6 9 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19558 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 19558 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Crc '[U-13C, 1H Ile, Leu, Val; U-100% 15N; U-100% 2H]' . . 1 $Crc . . . 350 600 uM . . . . 19558 7 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19558 7 3 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19558 7 4 'Potassium phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 19558 7 5 Na2SO4 'natural abundance' . . . . . . 100 . . mM . . . . 19558 7 6 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19558 7 7 Proline 'natural abundance' . . . . . . 10 . . mM . . . . 19558 7 8 Arginine 'natural abundance' . . . . . . 25 . . mM . . . . 19558 7 9 Glutamate 'natural abundance' . . . . . . 25 . . mM . . . . 19558 7 10 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 19558 7 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 19558 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 50mM Potassium Phosphate buffer pH 7.0, 100mM Na2SO4, 50mM NaCl, 10mM Proline, 25mM Arginine, 25mM Glutamate, 5mM DTT ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 265 . mM 19558 1 pH 7 . pH 19558 1 pressure 1 . atm 19558 1 temperature 298 . K 19558 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19558 _Software.ID 1 _Software.Name CARA _Software.Version 'cara 1.8.6' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19558 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19558 1 'peak picking' 19558 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19558 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19558 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19558 2 processing 19558 2 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 19558 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19558 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19558 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 19558 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19558 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19558 1 3 '3D TROSY-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19558 1 4 '3D TROSY-HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19558 1 5 '3D TROSY-HN(CA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19558 1 6 '3D TROSY-HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19558 1 7 '3D TROSY-HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19558 1 8 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19558 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19558 1 10 '3D-1H(15N) HMQC NOESY-1H-15N FHSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19558 1 11 '3D H(CCCO)NH' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19558 1 12 '3D (H)C(CCO)NH' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19558 1 13 '15N-edited 3D NOESY HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19558 1 14 '13C-edited 3D NOESY-HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19558 1 15 '3D-(1H) 13C HMQC NOESY-15N FHSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19558 1 16 '3D-1H (13C) HMQC-NOESY-15N FHSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19558 1 17 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19558 1 18 '3D TROSY-HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19558 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 19558 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19558 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19558 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19558 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 19558 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 19558 1 2 '2D 1H-13C HSQC' . . . 19558 1 3 '3D TROSY-HNCO' . . . 19558 1 4 '3D TROSY-HNCA' . . . 19558 1 5 '3D TROSY-HN(CA)CB' . . . 19558 1 6 '3D TROSY-HN(CO)CA' . . . 19558 1 7 '3D TROSY-HN(COCA)CB' . . . 19558 1 8 '2D 1H-1H TOCSY' . . . 19558 1 9 '2D 1H-1H NOESY' . . . 19558 1 10 '3D-1H(15N) HMQC NOESY-1H-15N FHSQC' . . . 19558 1 11 '3D H(CCCO)NH' . . . 19558 1 12 '3D (H)C(CCO)NH' . . . 19558 1 13 '15N-edited 3D NOESY HSQC' . . . 19558 1 14 '13C-edited 3D NOESY-HSQC' . . . 19558 1 15 '3D-(1H) 13C HMQC NOESY-15N FHSQC' . . . 19558 1 16 '3D-1H (13C) HMQC-NOESY-15N FHSQC' . . . 19558 1 17 '2D 1H-13C HSQC' . . . 19558 1 18 '3D TROSY-HN(CA)CO' . . . 19558 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET C C 13 171.497 0.30 . 1 . . . . 1 MET C . 19558 1 2 . 1 1 1 1 MET CA C 13 54.131 0.30 . 1 . . . . 1 MET CA . 19558 1 3 . 1 1 1 1 MET CB C 13 33.133 0.30 . 1 . . . . 1 MET CB . 19558 1 4 . 1 1 2 2 ARG H H 1 10.129 0.02 . 1 . . . . 2 ARG H . 19558 1 5 . 1 1 2 2 ARG C C 13 175.901 0.30 . 1 . . . . 2 ARG C . 19558 1 6 . 1 1 2 2 ARG CA C 13 54.412 0.30 . 1 . . . . 2 ARG CA . 19558 1 7 . 1 1 2 2 ARG CB C 13 32.319 0.30 . 1 . . . . 2 ARG CB . 19558 1 8 . 1 1 2 2 ARG N N 15 131.060 0.30 . 1 . . . . 2 ARG N . 19558 1 9 . 1 1 3 3 ILE H H 1 9.398 0.02 . 1 . . . . 3 ILE H . 19558 1 10 . 1 1 3 3 ILE HD11 H 1 0.694 0.02 . 1 . . . . 3 ILE HD1 . 19558 1 11 . 1 1 3 3 ILE HD12 H 1 0.694 0.02 . 1 . . . . 3 ILE HD1 . 19558 1 12 . 1 1 3 3 ILE HD13 H 1 0.694 0.02 . 1 . . . . 3 ILE HD1 . 19558 1 13 . 1 1 3 3 ILE C C 13 175.798 0.30 . 1 . . . . 3 ILE C . 19558 1 14 . 1 1 3 3 ILE CA C 13 58.398 0.30 . 1 . . . . 3 ILE CA . 19558 1 15 . 1 1 3 3 ILE CB C 13 37.747 0.30 . 1 . . . . 3 ILE CB . 19558 1 16 . 1 1 3 3 ILE CD1 C 13 13.052 0.30 . 1 . . . . 3 ILE CD1 . 19558 1 17 . 1 1 3 3 ILE N N 15 130.481 0.30 . 1 . . . . 3 ILE N . 19558 1 18 . 1 1 4 4 ILE H H 1 8.408 0.02 . 1 . . . . 4 ILE H . 19558 1 19 . 1 1 4 4 ILE C C 13 174.571 0.30 . 1 . . . . 4 ILE C . 19558 1 20 . 1 1 4 4 ILE CA C 13 58.848 0.30 . 1 . . . . 4 ILE CA . 19558 1 21 . 1 1 4 4 ILE CB C 13 39.436 0.30 . 1 . . . . 4 ILE CB . 19558 1 22 . 1 1 4 4 ILE N N 15 129.642 0.30 . 1 . . . . 4 ILE N . 19558 1 23 . 1 1 5 5 SER H H 1 9.267 0.02 . 1 . . . . 5 SER H . 19558 1 24 . 1 1 5 5 SER C C 13 174.190 0.30 . 1 . . . . 5 SER C . 19558 1 25 . 1 1 5 5 SER CA C 13 54.647 0.30 . 1 . . . . 5 SER CA . 19558 1 26 . 1 1 5 5 SER CB C 13 64.721 0.30 . 1 . . . . 5 SER CB . 19558 1 27 . 1 1 5 5 SER N N 15 124.022 0.30 . 1 . . . . 5 SER N . 19558 1 28 . 1 1 6 6 VAL H H 1 8.928 0.02 . 1 . . . . 6 VAL H . 19558 1 29 . 1 1 6 6 VAL HG11 H 1 0.715 0.02 . 2 . . . . 6 VAL HG1 . 19558 1 30 . 1 1 6 6 VAL HG12 H 1 0.715 0.02 . 2 . . . . 6 VAL HG1 . 19558 1 31 . 1 1 6 6 VAL HG13 H 1 0.715 0.02 . 2 . . . . 6 VAL HG1 . 19558 1 32 . 1 1 6 6 VAL HG21 H 1 0.715 0.02 . 2 . . . . 6 VAL HG2 . 19558 1 33 . 1 1 6 6 VAL HG22 H 1 0.715 0.02 . 2 . . . . 6 VAL HG2 . 19558 1 34 . 1 1 6 6 VAL HG23 H 1 0.715 0.02 . 2 . . . . 6 VAL HG2 . 19558 1 35 . 1 1 6 6 VAL C C 13 176.479 0.30 . 1 . . . . 6 VAL C . 19558 1 36 . 1 1 6 6 VAL CA C 13 59.393 0.30 . 1 . . . . 6 VAL CA . 19558 1 37 . 1 1 6 6 VAL CB C 13 33.736 0.30 . 1 . . . . 6 VAL CB . 19558 1 38 . 1 1 6 6 VAL CG1 C 13 19.936 0.30 . 1 . . . . 6 VAL CG1 . 19558 1 39 . 1 1 6 6 VAL CG2 C 13 20.711 0.30 . 1 . . . . 6 VAL CG2 . 19558 1 40 . 1 1 6 6 VAL N N 15 124.848 0.30 . 1 . . . . 6 VAL N . 19558 1 41 . 1 1 7 7 ASN H H 1 8.225 0.02 . 1 . . . . 7 ASN H . 19558 1 42 . 1 1 7 7 ASN CA C 13 51.471 0.30 . 1 . . . . 7 ASN CA . 19558 1 43 . 1 1 7 7 ASN CB C 13 34.437 0.30 . 1 . . . . 7 ASN CB . 19558 1 44 . 1 1 7 7 ASN N N 15 129.718 0.30 . 1 . . . . 7 ASN N . 19558 1 45 . 1 1 8 8 VAL HG11 H 1 0.838 0.02 . 2 . . . . 8 VAL HG1 . 19558 1 46 . 1 1 8 8 VAL HG12 H 1 0.838 0.02 . 2 . . . . 8 VAL HG1 . 19558 1 47 . 1 1 8 8 VAL HG13 H 1 0.838 0.02 . 2 . . . . 8 VAL HG1 . 19558 1 48 . 1 1 8 8 VAL HG21 H 1 0.588 0.02 . 2 . . . . 8 VAL HG2 . 19558 1 49 . 1 1 8 8 VAL HG22 H 1 0.588 0.02 . 2 . . . . 8 VAL HG2 . 19558 1 50 . 1 1 8 8 VAL HG23 H 1 0.588 0.02 . 2 . . . . 8 VAL HG2 . 19558 1 51 . 1 1 8 8 VAL C C 13 174.051 0.30 . 1 . . . . 8 VAL C . 19558 1 52 . 1 1 8 8 VAL CA C 13 60.855 0.30 . 1 . . . . 8 VAL CA . 19558 1 53 . 1 1 8 8 VAL CB C 13 31.037 0.30 . 1 . . . . 8 VAL CB . 19558 1 54 . 1 1 8 8 VAL CG1 C 13 25.193 0.30 . 1 . . . . 8 VAL CG1 . 19558 1 55 . 1 1 8 8 VAL CG2 C 13 18.176 0.30 . 1 . . . . 8 VAL CG2 . 19558 1 56 . 1 1 9 9 ASN H H 1 8.512 0.02 . 1 . . . . 9 ASN H . 19558 1 57 . 1 1 9 9 ASN C C 13 174.112 0.30 . 1 . . . . 9 ASN C . 19558 1 58 . 1 1 9 9 ASN CA C 13 53.650 0.30 . 1 . . . . 9 ASN CA . 19558 1 59 . 1 1 9 9 ASN CB C 13 39.592 0.30 . 1 . . . . 9 ASN CB . 19558 1 60 . 1 1 9 9 ASN N N 15 117.678 0.30 . 1 . . . . 9 ASN N . 19558 1 61 . 1 1 10 10 GLY H H 1 8.746 0.02 . 1 . . . . 10 GLY H . 19558 1 62 . 1 1 10 10 GLY C C 13 173.755 0.30 . 1 . . . . 10 GLY C . 19558 1 63 . 1 1 10 10 GLY CA C 13 44.173 0.30 . 1 . . . . 10 GLY CA . 19558 1 64 . 1 1 10 10 GLY N N 15 106.363 0.30 . 1 . . . . 10 GLY N . 19558 1 65 . 1 1 11 11 ILE H H 1 9.346 0.02 . 1 . . . . 11 ILE H . 19558 1 66 . 1 1 11 11 ILE HD11 H 1 0.562 0.02 . 1 . . . . 11 ILE HD1 . 19558 1 67 . 1 1 11 11 ILE HD12 H 1 0.562 0.02 . 1 . . . . 11 ILE HD1 . 19558 1 68 . 1 1 11 11 ILE HD13 H 1 0.562 0.02 . 1 . . . . 11 ILE HD1 . 19558 1 69 . 1 1 11 11 ILE C C 13 175.947 0.30 . 1 . . . . 11 ILE C . 19558 1 70 . 1 1 11 11 ILE CA C 13 63.361 0.30 . 1 . . . . 11 ILE CA . 19558 1 71 . 1 1 11 11 ILE CB C 13 38.266 0.30 . 1 . . . . 11 ILE CB . 19558 1 72 . 1 1 11 11 ILE CD1 C 13 14.133 0.30 . 1 . . . . 11 ILE CD1 . 19558 1 73 . 1 1 11 11 ILE N N 15 129.301 0.30 . 1 . . . . 11 ILE N . 19558 1 74 . 1 1 12 12 GLN H H 1 8.819 0.02 . 1 . . . . 12 GLN H . 19558 1 75 . 1 1 12 12 GLN C C 13 180.064 0.30 . 1 . . . . 12 GLN C . 19558 1 76 . 1 1 12 12 GLN CA C 13 59.518 0.30 . 1 . . . . 12 GLN CA . 19558 1 77 . 1 1 12 12 GLN CB C 13 26.135 0.30 . 1 . . . . 12 GLN CB . 19558 1 78 . 1 1 12 12 GLN N N 15 123.972 0.30 . 1 . . . . 12 GLN N . 19558 1 79 . 1 1 13 13 THR H H 1 7.465 0.02 . 1 . . . . 13 THR H . 19558 1 80 . 1 1 13 13 THR C C 13 177.457 0.30 . 1 . . . . 13 THR C . 19558 1 81 . 1 1 13 13 THR CA C 13 64.372 0.30 . 1 . . . . 13 THR CA . 19558 1 82 . 1 1 13 13 THR CB C 13 67.651 0.30 . 1 . . . . 13 THR CB . 19558 1 83 . 1 1 13 13 THR N N 15 116.253 0.30 . 1 . . . . 13 THR N . 19558 1 84 . 1 1 14 14 ALA H H 1 7.983 0.02 . 1 . . . . 14 ALA H . 19558 1 85 . 1 1 14 14 ALA C C 13 181.519 0.30 . 1 . . . . 14 ALA C . 19558 1 86 . 1 1 14 14 ALA CA C 13 54.947 0.30 . 1 . . . . 14 ALA CA . 19558 1 87 . 1 1 14 14 ALA CB C 13 17.950 0.30 . 1 . . . . 14 ALA CB . 19558 1 88 . 1 1 14 14 ALA N N 15 126.361 0.30 . 1 . . . . 14 ALA N . 19558 1 89 . 1 1 15 15 VAL H H 1 8.730 0.02 . 1 . . . . 15 VAL H . 19558 1 90 . 1 1 15 15 VAL HG11 H 1 1.160 0.02 . 2 . . . . 15 VAL HG1 . 19558 1 91 . 1 1 15 15 VAL HG12 H 1 1.160 0.02 . 2 . . . . 15 VAL HG1 . 19558 1 92 . 1 1 15 15 VAL HG13 H 1 1.160 0.02 . 2 . . . . 15 VAL HG1 . 19558 1 93 . 1 1 15 15 VAL HG21 H 1 0.893 0.02 . 2 . . . . 15 VAL HG2 . 19558 1 94 . 1 1 15 15 VAL HG22 H 1 0.893 0.02 . 2 . . . . 15 VAL HG2 . 19558 1 95 . 1 1 15 15 VAL HG23 H 1 0.893 0.02 . 2 . . . . 15 VAL HG2 . 19558 1 96 . 1 1 15 15 VAL C C 13 181.866 0.30 . 1 . . . . 15 VAL C . 19558 1 97 . 1 1 15 15 VAL CA C 13 66.371 0.30 . 1 . . . . 15 VAL CA . 19558 1 98 . 1 1 15 15 VAL CB C 13 30.367 0.30 . 1 . . . . 15 VAL CB . 19558 1 99 . 1 1 15 15 VAL CG1 C 13 23.794 0.30 . 1 . . . . 15 VAL CG1 . 19558 1 100 . 1 1 15 15 VAL CG2 C 13 20.492 0.30 . 1 . . . . 15 VAL CG2 . 19558 1 101 . 1 1 15 15 VAL N N 15 119.405 0.30 . 1 . . . . 15 VAL N . 19558 1 102 . 1 1 16 16 GLU H H 1 7.742 0.02 . 1 . . . . 16 GLU H . 19558 1 103 . 1 1 16 16 GLU C C 13 179.010 0.30 . 1 . . . . 16 GLU C . 19558 1 104 . 1 1 16 16 GLU CA C 13 58.930 0.30 . 1 . . . . 16 GLU CA . 19558 1 105 . 1 1 16 16 GLU CB C 13 28.015 0.30 . 1 . . . . 16 GLU CB . 19558 1 106 . 1 1 16 16 GLU N N 15 126.579 0.30 . 1 . . . . 16 GLU N . 19558 1 107 . 1 1 17 17 ARG H H 1 7.637 0.02 . 1 . . . . 17 ARG H . 19558 1 108 . 1 1 17 17 ARG C C 13 176.726 0.30 . 1 . . . . 17 ARG C . 19558 1 109 . 1 1 17 17 ARG CA C 13 56.486 0.30 . 1 . . . . 17 ARG CA . 19558 1 110 . 1 1 17 17 ARG CB C 13 30.261 0.30 . 1 . . . . 17 ARG CB . 19558 1 111 . 1 1 17 17 ARG N N 15 117.600 0.30 . 1 . . . . 17 ARG N . 19558 1 112 . 1 1 18 18 GLY H H 1 7.690 0.02 . 1 . . . . 18 GLY H . 19558 1 113 . 1 1 18 18 GLY C C 13 176.986 0.30 . 1 . . . . 18 GLY C . 19558 1 114 . 1 1 18 18 GLY CA C 13 44.735 0.30 . 1 . . . . 18 GLY CA . 19558 1 115 . 1 1 18 18 GLY N N 15 107.073 0.30 . 1 . . . . 18 GLY N . 19558 1 116 . 1 1 19 19 LEU H H 1 7.652 0.02 . 1 . . . . 19 LEU H . 19558 1 117 . 1 1 19 19 LEU HD11 H 1 0.394 0.02 . 2 . . . . 19 LEU HD1 . 19558 1 118 . 1 1 19 19 LEU HD12 H 1 0.394 0.02 . 2 . . . . 19 LEU HD1 . 19558 1 119 . 1 1 19 19 LEU HD13 H 1 0.394 0.02 . 2 . . . . 19 LEU HD1 . 19558 1 120 . 1 1 19 19 LEU HD21 H 1 0.651 0.02 . 2 . . . . 19 LEU HD2 . 19558 1 121 . 1 1 19 19 LEU HD22 H 1 0.651 0.02 . 2 . . . . 19 LEU HD2 . 19558 1 122 . 1 1 19 19 LEU HD23 H 1 0.651 0.02 . 2 . . . . 19 LEU HD2 . 19558 1 123 . 1 1 19 19 LEU C C 13 178.426 0.30 . 1 . . . . 19 LEU C . 19558 1 124 . 1 1 19 19 LEU CA C 13 57.763 0.30 . 1 . . . . 19 LEU CA . 19558 1 125 . 1 1 19 19 LEU CB C 13 42.375 0.30 . 1 . . . . 19 LEU CB . 19558 1 126 . 1 1 19 19 LEU CD1 C 13 22.833 0.30 . 1 . . . . 19 LEU CD1 . 19558 1 127 . 1 1 19 19 LEU CD2 C 13 26.536 0.30 . 1 . . . . 19 LEU CD2 . 19558 1 128 . 1 1 19 19 LEU N N 15 122.775 0.30 . 1 . . . . 19 LEU N . 19558 1 129 . 1 1 20 20 LEU H H 1 8.603 0.02 . 1 . . . . 20 LEU H . 19558 1 130 . 1 1 20 20 LEU HD11 H 1 0.806 0.02 . 2 . . . . 20 LEU HD1 . 19558 1 131 . 1 1 20 20 LEU HD12 H 1 0.806 0.02 . 2 . . . . 20 LEU HD1 . 19558 1 132 . 1 1 20 20 LEU HD13 H 1 0.806 0.02 . 2 . . . . 20 LEU HD1 . 19558 1 133 . 1 1 20 20 LEU HD21 H 1 0.535 0.02 . 2 . . . . 20 LEU HD2 . 19558 1 134 . 1 1 20 20 LEU HD22 H 1 0.535 0.02 . 2 . . . . 20 LEU HD2 . 19558 1 135 . 1 1 20 20 LEU HD23 H 1 0.535 0.02 . 2 . . . . 20 LEU HD2 . 19558 1 136 . 1 1 20 20 LEU C C 13 180.074 0.30 . 1 . . . . 20 LEU C . 19558 1 137 . 1 1 20 20 LEU CA C 13 57.687 0.30 . 1 . . . . 20 LEU CA . 19558 1 138 . 1 1 20 20 LEU CB C 13 38.184 0.30 . 1 . . . . 20 LEU CB . 19558 1 139 . 1 1 20 20 LEU CD1 C 13 25.875 0.30 . 1 . . . . 20 LEU CD1 . 19558 1 140 . 1 1 20 20 LEU CD2 C 13 20.986 0.30 . 1 . . . . 20 LEU CD2 . 19558 1 141 . 1 1 20 20 LEU N N 15 115.949 0.30 . 1 . . . . 20 LEU N . 19558 1 142 . 1 1 21 21 SER H H 1 7.009 0.02 . 1 . . . . 21 SER H . 19558 1 143 . 1 1 21 21 SER C C 13 177.696 0.30 . 1 . . . . 21 SER C . 19558 1 144 . 1 1 21 21 SER CA C 13 60.333 0.30 . 1 . . . . 21 SER CA . 19558 1 145 . 1 1 21 21 SER CB C 13 61.430 0.30 . 1 . . . . 21 SER CB . 19558 1 146 . 1 1 21 21 SER N N 15 115.154 0.30 . 1 . . . . 21 SER N . 19558 1 147 . 1 1 22 22 TRP H H 1 7.404 0.02 . 1 . . . . 22 TRP H . 19558 1 148 . 1 1 22 22 TRP C C 13 180.157 0.30 . 1 . . . . 22 TRP C . 19558 1 149 . 1 1 22 22 TRP CA C 13 61.630 0.30 . 1 . . . . 22 TRP CA . 19558 1 150 . 1 1 22 22 TRP CB C 13 27.707 0.30 . 1 . . . . 22 TRP CB . 19558 1 151 . 1 1 22 22 TRP N N 15 123.525 0.30 . 1 . . . . 22 TRP N . 19558 1 152 . 1 1 23 23 LEU H H 1 8.721 0.02 . 1 . . . . 23 LEU H . 19558 1 153 . 1 1 23 23 LEU HD11 H 1 0.736 0.02 . 2 . . . . 23 LEU HD1 . 19558 1 154 . 1 1 23 23 LEU HD12 H 1 0.736 0.02 . 2 . . . . 23 LEU HD1 . 19558 1 155 . 1 1 23 23 LEU HD13 H 1 0.736 0.02 . 2 . . . . 23 LEU HD1 . 19558 1 156 . 1 1 23 23 LEU HD21 H 1 0.541 0.02 . 2 . . . . 23 LEU HD2 . 19558 1 157 . 1 1 23 23 LEU HD22 H 1 0.541 0.02 . 2 . . . . 23 LEU HD2 . 19558 1 158 . 1 1 23 23 LEU HD23 H 1 0.541 0.02 . 2 . . . . 23 LEU HD2 . 19558 1 159 . 1 1 23 23 LEU C C 13 181.001 0.30 . 1 . . . . 23 LEU C . 19558 1 160 . 1 1 23 23 LEU CA C 13 57.122 0.30 . 1 . . . . 23 LEU CA . 19558 1 161 . 1 1 23 23 LEU CB C 13 40.698 0.30 . 1 . . . . 23 LEU CB . 19558 1 162 . 1 1 23 23 LEU CD1 C 13 25.447 0.30 . 1 . . . . 23 LEU CD1 . 19558 1 163 . 1 1 23 23 LEU CD2 C 13 22.893 0.30 . 1 . . . . 23 LEU CD2 . 19558 1 164 . 1 1 23 23 LEU N N 15 120.270 0.30 . 1 . . . . 23 LEU N . 19558 1 165 . 1 1 24 24 GLN H H 1 7.847 0.02 . 1 . . . . 24 GLN H . 19558 1 166 . 1 1 24 24 GLN C C 13 176.938 0.30 . 1 . . . . 24 GLN C . 19558 1 167 . 1 1 24 24 GLN CA C 13 57.774 0.30 . 1 . . . . 24 GLN CA . 19558 1 168 . 1 1 24 24 GLN CB C 13 27.455 0.30 . 1 . . . . 24 GLN CB . 19558 1 169 . 1 1 24 24 GLN N N 15 119.202 0.30 . 1 . . . . 24 GLN N . 19558 1 170 . 1 1 25 25 ALA H H 1 6.756 0.02 . 1 . . . . 25 ALA H . 19558 1 171 . 1 1 25 25 ALA C C 13 178.899 0.30 . 1 . . . . 25 ALA C . 19558 1 172 . 1 1 25 25 ALA CA C 13 51.445 0.30 . 1 . . . . 25 ALA CA . 19558 1 173 . 1 1 25 25 ALA CB C 13 17.754 0.30 . 1 . . . . 25 ALA CB . 19558 1 174 . 1 1 25 25 ALA N N 15 119.215 0.30 . 1 . . . . 25 ALA N . 19558 1 175 . 1 1 26 26 GLN H H 1 6.972 0.02 . 1 . . . . 26 GLN H . 19558 1 176 . 1 1 26 26 GLN C C 13 175.945 0.30 . 1 . . . . 26 GLN C . 19558 1 177 . 1 1 26 26 GLN CA C 13 54.104 0.30 . 1 . . . . 26 GLN CA . 19558 1 178 . 1 1 26 26 GLN CB C 13 27.314 0.30 . 1 . . . . 26 GLN CB . 19558 1 179 . 1 1 26 26 GLN N N 15 114.839 0.30 . 1 . . . . 26 GLN N . 19558 1 180 . 1 1 27 27 ASN H H 1 7.682 0.02 . 1 . . . . 27 ASN H . 19558 1 181 . 1 1 27 27 ASN C C 13 174.973 0.30 . 1 . . . . 27 ASN C . 19558 1 182 . 1 1 27 27 ASN CA C 13 53.035 0.30 . 1 . . . . 27 ASN CA . 19558 1 183 . 1 1 27 27 ASN CB C 13 36.089 0.30 . 1 . . . . 27 ASN CB . 19558 1 184 . 1 1 27 27 ASN N N 15 117.420 0.30 . 1 . . . . 27 ASN N . 19558 1 185 . 1 1 28 28 ALA H H 1 8.864 0.02 . 1 . . . . 28 ALA H . 19558 1 186 . 1 1 28 28 ALA C C 13 178.225 0.30 . 1 . . . . 28 ALA C . 19558 1 187 . 1 1 28 28 ALA CA C 13 50.723 0.30 . 1 . . . . 28 ALA CA . 19558 1 188 . 1 1 28 28 ALA CB C 13 18.543 0.30 . 1 . . . . 28 ALA CB . 19558 1 189 . 1 1 28 28 ALA N N 15 120.290 0.30 . 1 . . . . 28 ALA N . 19558 1 190 . 1 1 29 29 ASP H H 1 9.311 0.02 . 1 . . . . 29 ASP H . 19558 1 191 . 1 1 29 29 ASP C C 13 175.928 0.30 . 1 . . . . 29 ASP C . 19558 1 192 . 1 1 29 29 ASP CA C 13 57.450 0.30 . 1 . . . . 29 ASP CA . 19558 1 193 . 1 1 29 29 ASP CB C 13 42.538 0.30 . 1 . . . . 29 ASP CB . 19558 1 194 . 1 1 29 29 ASP N N 15 123.881 0.30 . 1 . . . . 29 ASP N . 19558 1 195 . 1 1 30 30 VAL C C 13 174.859 0.30 . 1 . . . . 30 VAL C . 19558 1 196 . 1 1 31 31 ILE H H 1 9.298 0.02 . 1 . . . . 31 ILE H . 19558 1 197 . 1 1 31 31 ILE HD11 H 1 0.117 0.02 . 1 . . . . 31 ILE HD1 . 19558 1 198 . 1 1 31 31 ILE HD12 H 1 0.117 0.02 . 1 . . . . 31 ILE HD1 . 19558 1 199 . 1 1 31 31 ILE HD13 H 1 0.117 0.02 . 1 . . . . 31 ILE HD1 . 19558 1 200 . 1 1 31 31 ILE C C 13 174.913 0.30 . 1 . . . . 31 ILE C . 19558 1 201 . 1 1 31 31 ILE CA C 13 58.558 0.30 . 1 . . . . 31 ILE CA . 19558 1 202 . 1 1 31 31 ILE CB C 13 40.468 0.30 . 1 . . . . 31 ILE CB . 19558 1 203 . 1 1 31 31 ILE CD1 C 13 14.480 0.30 . 1 . . . . 31 ILE CD1 . 19558 1 204 . 1 1 31 31 ILE N N 15 128.111 0.30 . 1 . . . . 31 ILE N . 19558 1 205 . 1 1 32 32 CYS C C 13 173.485 0.30 . 1 . . . . 32 CYS C . 19558 1 206 . 1 1 32 32 CYS CA C 13 56.947 0.30 . 1 . . . . 32 CYS CA . 19558 1 207 . 1 1 32 32 CYS CB C 13 28.408 0.30 . 1 . . . . 32 CYS CB . 19558 1 208 . 1 1 33 33 LEU H H 1 9.380 0.02 . 1 . . . . 33 LEU H . 19558 1 209 . 1 1 33 33 LEU C C 13 175.542 0.30 . 1 . . . . 33 LEU C . 19558 1 210 . 1 1 33 33 LEU CA C 13 51.805 0.30 . 1 . . . . 33 LEU CA . 19558 1 211 . 1 1 33 33 LEU CB C 13 43.541 0.30 . 1 . . . . 33 LEU CB . 19558 1 212 . 1 1 33 33 LEU N N 15 123.267 0.30 . 1 . . . . 33 LEU N . 19558 1 213 . 1 1 35 35 ASP C C 13 176.292 0.30 . 1 . . . . 35 ASP C . 19558 1 214 . 1 1 35 35 ASP CA C 13 53.416 0.30 . 1 . . . . 35 ASP CA . 19558 1 215 . 1 1 35 35 ASP CB C 13 37.150 0.30 . 1 . . . . 35 ASP CB . 19558 1 216 . 1 1 36 36 THR H H 1 8.044 0.02 . 1 . . . . 36 THR H . 19558 1 217 . 1 1 36 36 THR C C 13 177.655 0.30 . 1 . . . . 36 THR C . 19558 1 218 . 1 1 36 36 THR CA C 13 63.120 0.30 . 1 . . . . 36 THR CA . 19558 1 219 . 1 1 36 36 THR CB C 13 66.512 0.30 . 1 . . . . 36 THR CB . 19558 1 220 . 1 1 36 36 THR N N 15 110.350 0.30 . 1 . . . . 36 THR N . 19558 1 221 . 1 1 37 37 ARG H H 1 8.952 0.02 . 1 . . . . 37 ARG H . 19558 1 222 . 1 1 37 37 ARG C C 13 176.001 0.30 . 1 . . . . 37 ARG C . 19558 1 223 . 1 1 37 37 ARG CA C 13 56.043 0.30 . 1 . . . . 37 ARG CA . 19558 1 224 . 1 1 37 37 ARG CB C 13 26.019 0.30 . 1 . . . . 37 ARG CB . 19558 1 225 . 1 1 37 37 ARG N N 15 119.435 0.30 . 1 . . . . 37 ARG N . 19558 1 226 . 1 1 38 38 ALA H H 1 7.010 0.02 . 1 . . . . 38 ALA H . 19558 1 227 . 1 1 38 38 ALA C C 13 178.594 0.30 . 1 . . . . 38 ALA C . 19558 1 228 . 1 1 38 38 ALA CA C 13 49.159 0.30 . 1 . . . . 38 ALA CA . 19558 1 229 . 1 1 38 38 ALA CB C 13 21.846 0.30 . 1 . . . . 38 ALA CB . 19558 1 230 . 1 1 38 38 ALA N N 15 118.374 0.30 . 1 . . . . 38 ALA N . 19558 1 231 . 1 1 39 39 SER H H 1 9.132 0.02 . 1 . . . . 39 SER H . 19558 1 232 . 1 1 39 39 SER C C 13 174.532 0.30 . 1 . . . . 39 SER C . 19558 1 233 . 1 1 39 39 SER CA C 13 56.176 0.30 . 1 . . . . 39 SER CA . 19558 1 234 . 1 1 39 39 SER CB C 13 64.082 0.30 . 1 . . . . 39 SER CB . 19558 1 235 . 1 1 39 39 SER N N 15 122.687 0.30 . 1 . . . . 39 SER N . 19558 1 236 . 1 1 40 40 ALA H H 1 9.140 0.02 . 1 . . . . 40 ALA H . 19558 1 237 . 1 1 40 40 ALA C C 13 181.022 0.30 . 1 . . . . 40 ALA C . 19558 1 238 . 1 1 40 40 ALA CA C 13 54.572 0.30 . 1 . . . . 40 ALA CA . 19558 1 239 . 1 1 40 40 ALA CB C 13 16.379 0.30 . 1 . . . . 40 ALA CB . 19558 1 240 . 1 1 40 40 ALA N N 15 125.713 0.30 . 1 . . . . 40 ALA N . 19558 1 241 . 1 1 41 41 PHE H H 1 8.344 0.02 . 1 . . . . 41 PHE H . 19558 1 242 . 1 1 41 41 PHE C C 13 179.521 0.30 . 1 . . . . 41 PHE C . 19558 1 243 . 1 1 41 41 PHE CA C 13 59.505 0.30 . 1 . . . . 41 PHE CA . 19558 1 244 . 1 1 41 41 PHE CB C 13 37.753 0.30 . 1 . . . . 41 PHE CB . 19558 1 245 . 1 1 41 41 PHE N N 15 118.499 0.30 . 1 . . . . 41 PHE N . 19558 1 246 . 1 1 42 42 GLU H H 1 7.676 0.02 . 1 . . . . 42 GLU H . 19558 1 247 . 1 1 42 42 GLU C C 13 178.857 0.30 . 1 . . . . 42 GLU C . 19558 1 248 . 1 1 42 42 GLU CA C 13 58.262 0.30 . 1 . . . . 42 GLU CA . 19558 1 249 . 1 1 42 42 GLU CB C 13 28.641 0.30 . 1 . . . . 42 GLU CB . 19558 1 250 . 1 1 42 42 GLU N N 15 122.669 0.30 . 1 . . . . 42 GLU N . 19558 1 251 . 1 1 43 43 LEU H H 1 6.978 0.02 . 1 . . . . 43 LEU H . 19558 1 252 . 1 1 43 43 LEU HD11 H 1 0.307 0.02 . 2 . . . . 43 LEU HD1 . 19558 1 253 . 1 1 43 43 LEU HD12 H 1 0.307 0.02 . 2 . . . . 43 LEU HD1 . 19558 1 254 . 1 1 43 43 LEU HD13 H 1 0.307 0.02 . 2 . . . . 43 LEU HD1 . 19558 1 255 . 1 1 43 43 LEU HD21 H 1 -0.104 0.02 . 2 . . . . 43 LEU HD2 . 19558 1 256 . 1 1 43 43 LEU HD22 H 1 -0.104 0.02 . 2 . . . . 43 LEU HD2 . 19558 1 257 . 1 1 43 43 LEU HD23 H 1 -0.104 0.02 . 2 . . . . 43 LEU HD2 . 19558 1 258 . 1 1 43 43 LEU C C 13 176.393 0.30 . 1 . . . . 43 LEU C . 19558 1 259 . 1 1 43 43 LEU CA C 13 55.094 0.30 . 1 . . . . 43 LEU CA . 19558 1 260 . 1 1 43 43 LEU CB C 13 39.002 0.30 . 1 . . . . 43 LEU CB . 19558 1 261 . 1 1 43 43 LEU CD1 C 13 25.522 0.30 . 1 . . . . 43 LEU CD1 . 19558 1 262 . 1 1 43 43 LEU CD2 C 13 22.179 0.30 . 1 . . . . 43 LEU CD2 . 19558 1 263 . 1 1 43 43 LEU N N 15 117.068 0.30 . 1 . . . . 43 LEU N . 19558 1 264 . 1 1 44 44 ASP H H 1 6.937 0.02 . 1 . . . . 44 ASP H . 19558 1 265 . 1 1 44 44 ASP C C 13 176.923 0.30 . 1 . . . . 44 ASP C . 19558 1 266 . 1 1 44 44 ASP CA C 13 53.423 0.30 . 1 . . . . 44 ASP CA . 19558 1 267 . 1 1 44 44 ASP CB C 13 39.232 0.30 . 1 . . . . 44 ASP CB . 19558 1 268 . 1 1 44 44 ASP N N 15 118.302 0.30 . 1 . . . . 44 ASP N . 19558 1 269 . 1 1 45 45 ASP H H 1 7.463 0.02 . 1 . . . . 45 ASP H . 19558 1 270 . 1 1 45 45 ASP C C 13 176.279 0.30 . 1 . . . . 45 ASP C . 19558 1 271 . 1 1 45 45 ASP CA C 13 52.273 0.30 . 1 . . . . 45 ASP CA . 19558 1 272 . 1 1 45 45 ASP CB C 13 43.357 0.30 . 1 . . . . 45 ASP CB . 19558 1 273 . 1 1 45 45 ASP N N 15 124.070 0.30 . 1 . . . . 45 ASP N . 19558 1 274 . 1 1 46 46 PRO C C 13 178.406 0.30 . 1 . . . . 46 PRO C . 19558 1 275 . 1 1 46 46 PRO CA C 13 64.571 0.30 . 1 . . . . 46 PRO CA . 19558 1 276 . 1 1 46 46 PRO CB C 13 31.135 0.30 . 1 . . . . 46 PRO CB . 19558 1 277 . 1 1 47 47 ALA H H 1 8.993 0.02 . 1 . . . . 47 ALA H . 19558 1 278 . 1 1 47 47 ALA C C 13 179.176 0.30 . 1 . . . . 47 ALA C . 19558 1 279 . 1 1 47 47 ALA CA C 13 53.530 0.30 . 1 . . . . 47 ALA CA . 19558 1 280 . 1 1 47 47 ALA CB C 13 17.122 0.30 . 1 . . . . 47 ALA CB . 19558 1 281 . 1 1 47 47 ALA N N 15 121.620 0.30 . 1 . . . . 47 ALA N . 19558 1 282 . 1 1 48 48 TYR H H 1 7.289 0.02 . 1 . . . . 48 TYR H . 19558 1 283 . 1 1 48 48 TYR C C 13 175.412 0.30 . 1 . . . . 48 TYR C . 19558 1 284 . 1 1 48 48 TYR CA C 13 57.030 0.30 . 1 . . . . 48 TYR CA . 19558 1 285 . 1 1 48 48 TYR CB C 13 37.511 0.30 . 1 . . . . 48 TYR CB . 19558 1 286 . 1 1 48 48 TYR N N 15 112.817 0.30 . 1 . . . . 48 TYR N . 19558 1 287 . 1 1 49 49 GLN H H 1 7.060 0.02 . 1 . . . . 49 GLN H . 19558 1 288 . 1 1 49 49 GLN C C 13 175.966 0.30 . 1 . . . . 49 GLN C . 19558 1 289 . 1 1 49 49 GLN CA C 13 54.292 0.30 . 1 . . . . 49 GLN CA . 19558 1 290 . 1 1 49 49 GLN CB C 13 27.071 0.30 . 1 . . . . 49 GLN CB . 19558 1 291 . 1 1 49 49 GLN N N 15 118.027 0.30 . 1 . . . . 49 GLN N . 19558 1 292 . 1 1 50 50 LEU H H 1 8.927 0.02 . 1 . . . . 50 LEU H . 19558 1 293 . 1 1 50 50 LEU HD11 H 1 -0.352 0.02 . 2 . . . . 50 LEU HD1 . 19558 1 294 . 1 1 50 50 LEU HD12 H 1 -0.352 0.02 . 2 . . . . 50 LEU HD1 . 19558 1 295 . 1 1 50 50 LEU HD13 H 1 -0.352 0.02 . 2 . . . . 50 LEU HD1 . 19558 1 296 . 1 1 50 50 LEU HD21 H 1 0.086 0.02 . 2 . . . . 50 LEU HD2 . 19558 1 297 . 1 1 50 50 LEU HD22 H 1 0.086 0.02 . 2 . . . . 50 LEU HD2 . 19558 1 298 . 1 1 50 50 LEU HD23 H 1 0.086 0.02 . 2 . . . . 50 LEU HD2 . 19558 1 299 . 1 1 50 50 LEU C C 13 177.457 0.30 . 1 . . . . 50 LEU C . 19558 1 300 . 1 1 50 50 LEU CA C 13 52.166 0.30 . 1 . . . . 50 LEU CA . 19558 1 301 . 1 1 50 50 LEU CB C 13 43.881 0.30 . 1 . . . . 50 LEU CB . 19558 1 302 . 1 1 50 50 LEU CD1 C 13 23.987 0.30 . 1 . . . . 50 LEU CD1 . 19558 1 303 . 1 1 50 50 LEU CD2 C 13 24.653 0.30 . 1 . . . . 50 LEU CD2 . 19558 1 304 . 1 1 50 50 LEU N N 15 126.353 0.30 . 1 . . . . 50 LEU N . 19558 1 305 . 1 1 51 51 ASP H H 1 8.421 0.02 . 1 . . . . 51 ASP H . 19558 1 306 . 1 1 51 51 ASP C C 13 178.182 0.30 . 1 . . . . 51 ASP C . 19558 1 307 . 1 1 51 51 ASP CA C 13 55.722 0.30 . 1 . . . . 51 ASP CA . 19558 1 308 . 1 1 51 51 ASP CB C 13 39.799 0.30 . 1 . . . . 51 ASP CB . 19558 1 309 . 1 1 51 51 ASP N N 15 126.973 0.30 . 1 . . . . 51 ASP N . 19558 1 310 . 1 1 52 52 GLY H H 1 8.623 0.02 . 1 . . . . 52 GLY H . 19558 1 311 . 1 1 52 52 GLY C C 13 174.698 0.30 . 1 . . . . 52 GLY C . 19558 1 312 . 1 1 52 52 GLY CA C 13 44.354 0.30 . 1 . . . . 52 GLY CA . 19558 1 313 . 1 1 52 52 GLY N N 15 114.309 0.30 . 1 . . . . 52 GLY N . 19558 1 314 . 1 1 53 53 TYR H H 1 7.863 0.02 . 1 . . . . 53 TYR H . 19558 1 315 . 1 1 53 53 TYR C C 13 176.936 0.30 . 1 . . . . 53 TYR C . 19558 1 316 . 1 1 53 53 TYR CA C 13 56.791 0.30 . 1 . . . . 53 TYR CA . 19558 1 317 . 1 1 53 53 TYR CB C 13 40.312 0.30 . 1 . . . . 53 TYR CB . 19558 1 318 . 1 1 53 53 TYR N N 15 118.089 0.30 . 1 . . . . 53 TYR N . 19558 1 319 . 1 1 54 54 PHE H H 1 9.182 0.02 . 1 . . . . 54 PHE H . 19558 1 320 . 1 1 54 54 PHE C C 13 174.758 0.30 . 1 . . . . 54 PHE C . 19558 1 321 . 1 1 54 54 PHE CA C 13 57.019 0.30 . 1 . . . . 54 PHE CA . 19558 1 322 . 1 1 54 54 PHE CB C 13 40.707 0.30 . 1 . . . . 54 PHE CB . 19558 1 323 . 1 1 54 54 PHE N N 15 124.553 0.30 . 1 . . . . 54 PHE N . 19558 1 324 . 1 1 55 55 LEU H H 1 8.050 0.02 . 1 . . . . 55 LEU H . 19558 1 325 . 1 1 55 55 LEU HD11 H 1 -0.286 0.02 . 2 . . . . 55 LEU HD1 . 19558 1 326 . 1 1 55 55 LEU HD12 H 1 -0.286 0.02 . 2 . . . . 55 LEU HD1 . 19558 1 327 . 1 1 55 55 LEU HD13 H 1 -0.286 0.02 . 2 . . . . 55 LEU HD1 . 19558 1 328 . 1 1 55 55 LEU HD21 H 1 0.531 0.02 . 2 . . . . 55 LEU HD2 . 19558 1 329 . 1 1 55 55 LEU HD22 H 1 0.531 0.02 . 2 . . . . 55 LEU HD2 . 19558 1 330 . 1 1 55 55 LEU HD23 H 1 0.531 0.02 . 2 . . . . 55 LEU HD2 . 19558 1 331 . 1 1 55 55 LEU C C 13 175.488 0.30 . 1 . . . . 55 LEU C . 19558 1 332 . 1 1 55 55 LEU CA C 13 53.476 0.30 . 1 . . . . 55 LEU CA . 19558 1 333 . 1 1 55 55 LEU CB C 13 41.822 0.30 . 1 . . . . 55 LEU CB . 19558 1 334 . 1 1 55 55 LEU CD1 C 13 20.256 0.30 . 1 . . . . 55 LEU CD1 . 19558 1 335 . 1 1 55 55 LEU CD2 C 13 25.589 0.30 . 1 . . . . 55 LEU CD2 . 19558 1 336 . 1 1 55 55 LEU N N 15 125.455 0.30 . 1 . . . . 55 LEU N . 19558 1 337 . 1 1 56 56 TYR H H 1 8.954 0.02 . 1 . . . . 56 TYR H . 19558 1 338 . 1 1 56 56 TYR C C 13 173.959 0.30 . 1 . . . . 56 TYR C . 19558 1 339 . 1 1 56 56 TYR CA C 13 56.275 0.30 . 1 . . . . 56 TYR CA . 19558 1 340 . 1 1 56 56 TYR CB C 13 40.068 0.30 . 1 . . . . 56 TYR CB . 19558 1 341 . 1 1 56 56 TYR N N 15 127.640 0.30 . 1 . . . . 56 TYR N . 19558 1 342 . 1 1 57 57 ALA H H 1 8.489 0.02 . 1 . . . . 57 ALA H . 19558 1 343 . 1 1 57 57 ALA C C 13 176.279 0.30 . 1 . . . . 57 ALA C . 19558 1 344 . 1 1 57 57 ALA CA C 13 50.536 0.30 . 1 . . . . 57 ALA CA . 19558 1 345 . 1 1 57 57 ALA CB C 13 22.599 0.30 . 1 . . . . 57 ALA CB . 19558 1 346 . 1 1 57 57 ALA N N 15 124.636 0.30 . 1 . . . . 57 ALA N . 19558 1 347 . 1 1 58 58 CYS H H 1 8.125 0.02 . 1 . . . . 58 CYS H . 19558 1 348 . 1 1 58 58 CYS C C 13 173.908 0.30 . 1 . . . . 58 CYS C . 19558 1 349 . 1 1 58 58 CYS CA C 13 55.682 0.30 . 1 . . . . 58 CYS CA . 19558 1 350 . 1 1 58 58 CYS CB C 13 28.755 0.30 . 1 . . . . 58 CYS CB . 19558 1 351 . 1 1 58 58 CYS N N 15 118.736 0.30 . 1 . . . . 58 CYS N . 19558 1 352 . 1 1 59 59 GLU H H 1 8.682 0.02 . 1 . . . . 59 GLU H . 19558 1 353 . 1 1 59 59 GLU C C 13 175.488 0.30 . 1 . . . . 59 GLU C . 19558 1 354 . 1 1 59 59 GLU CA C 13 52.567 0.30 . 1 . . . . 59 GLU CA . 19558 1 355 . 1 1 59 59 GLU CB C 13 32.323 0.30 . 1 . . . . 59 GLU CB . 19558 1 356 . 1 1 59 59 GLU N N 15 124.782 0.30 . 1 . . . . 59 GLU N . 19558 1 357 . 1 1 60 60 ALA H H 1 8.725 0.02 . 1 . . . . 60 ALA H . 19558 1 358 . 1 1 60 60 ALA C C 13 177.235 0.30 . 1 . . . . 60 ALA C . 19558 1 359 . 1 1 60 60 ALA CA C 13 50.322 0.30 . 1 . . . . 60 ALA CA . 19558 1 360 . 1 1 60 60 ALA CB C 13 19.025 0.30 . 1 . . . . 60 ALA CB . 19558 1 361 . 1 1 60 60 ALA N N 15 127.287 0.30 . 1 . . . . 60 ALA N . 19558 1 362 . 1 1 61 61 GLU H H 1 7.405 0.02 . 1 . . . . 61 GLU H . 19558 1 363 . 1 1 61 61 GLU C C 13 178.441 0.30 . 1 . . . . 61 GLU C . 19558 1 364 . 1 1 61 61 GLU CA C 13 58.970 0.30 . 1 . . . . 61 GLU CA . 19558 1 365 . 1 1 61 61 GLU CB C 13 28.293 0.30 . 1 . . . . 61 GLU CB . 19558 1 366 . 1 1 61 61 GLU N N 15 122.444 0.30 . 1 . . . . 61 GLU N . 19558 1 367 . 1 1 62 62 VAL H H 1 7.642 0.02 . 1 . . . . 62 VAL H . 19558 1 368 . 1 1 62 62 VAL HG11 H 1 0.799 0.02 . 2 . . . . 62 VAL HG1 . 19558 1 369 . 1 1 62 62 VAL HG12 H 1 0.799 0.02 . 2 . . . . 62 VAL HG1 . 19558 1 370 . 1 1 62 62 VAL HG13 H 1 0.799 0.02 . 2 . . . . 62 VAL HG1 . 19558 1 371 . 1 1 62 62 VAL HG21 H 1 0.767 0.02 . 2 . . . . 62 VAL HG2 . 19558 1 372 . 1 1 62 62 VAL HG22 H 1 0.767 0.02 . 2 . . . . 62 VAL HG2 . 19558 1 373 . 1 1 62 62 VAL HG23 H 1 0.767 0.02 . 2 . . . . 62 VAL HG2 . 19558 1 374 . 1 1 62 62 VAL C C 13 175.613 0.30 . 1 . . . . 62 VAL C . 19558 1 375 . 1 1 62 62 VAL CA C 13 66.578 0.30 . 1 . . . . 62 VAL CA . 19558 1 376 . 1 1 62 62 VAL CB C 13 30.183 0.30 . 1 . . . . 62 VAL CB . 19558 1 377 . 1 1 62 62 VAL CG1 C 13 20.735 0.30 . 1 . . . . 62 VAL CG1 . 19558 1 378 . 1 1 62 62 VAL CG2 C 13 19.726 0.30 . 1 . . . . 62 VAL CG2 . 19558 1 379 . 1 1 62 62 VAL N N 15 120.306 0.30 . 1 . . . . 62 VAL N . 19558 1 380 . 1 1 63 63 PRO C C 13 178.030 0.30 . 1 . . . . 63 PRO C . 19558 1 381 . 1 1 63 63 PRO CA C 13 65.373 0.30 . 1 . . . . 63 PRO CA . 19558 1 382 . 1 1 63 63 PRO CB C 13 30.612 0.30 . 1 . . . . 63 PRO CB . 19558 1 383 . 1 1 64 64 ALA H H 1 7.930 0.02 . 1 . . . . 64 ALA H . 19558 1 384 . 1 1 64 64 ALA C C 13 178.801 0.30 . 1 . . . . 64 ALA C . 19558 1 385 . 1 1 64 64 ALA CA C 13 53.329 0.30 . 1 . . . . 64 ALA CA . 19558 1 386 . 1 1 64 64 ALA CB C 13 17.656 0.30 . 1 . . . . 64 ALA CB . 19558 1 387 . 1 1 64 64 ALA N N 15 116.594 0.30 . 1 . . . . 64 ALA N . 19558 1 388 . 1 1 65 65 GLN H H 1 8.402 0.02 . 1 . . . . 65 GLN H . 19558 1 389 . 1 1 65 65 GLN C C 13 176.805 0.30 . 1 . . . . 65 GLN C . 19558 1 390 . 1 1 65 65 GLN CA C 13 55.414 0.30 . 1 . . . . 65 GLN CA . 19558 1 391 . 1 1 65 65 GLN CB C 13 27.118 0.30 . 1 . . . . 65 GLN CB . 19558 1 392 . 1 1 65 65 GLN N N 15 114.785 0.30 . 1 . . . . 65 GLN N . 19558 1 393 . 1 1 66 66 GLY H H 1 7.064 0.02 . 1 . . . . 66 GLY H . 19558 1 394 . 1 1 66 66 GLY C C 13 172.092 0.30 . 1 . . . . 66 GLY C . 19558 1 395 . 1 1 66 66 GLY CA C 13 46.686 0.30 . 1 . . . . 66 GLY CA . 19558 1 396 . 1 1 66 66 GLY N N 15 109.490 0.30 . 1 . . . . 66 GLY N . 19558 1 397 . 1 1 67 67 GLY H H 1 7.418 0.02 . 1 . . . . 67 GLY H . 19558 1 398 . 1 1 67 67 GLY C C 13 176.514 0.30 . 1 . . . . 67 GLY C . 19558 1 399 . 1 1 67 67 GLY CA C 13 46.009 0.30 . 1 . . . . 67 GLY CA . 19558 1 400 . 1 1 67 67 GLY N N 15 116.247 0.30 . 1 . . . . 67 GLY N . 19558 1 401 . 1 1 68 68 VAL H H 1 7.675 0.02 . 1 . . . . 68 VAL H . 19558 1 402 . 1 1 68 68 VAL HG11 H 1 0.545 0.02 . 2 . . . . 68 VAL HG1 . 19558 1 403 . 1 1 68 68 VAL HG12 H 1 0.545 0.02 . 2 . . . . 68 VAL HG1 . 19558 1 404 . 1 1 68 68 VAL HG13 H 1 0.545 0.02 . 2 . . . . 68 VAL HG1 . 19558 1 405 . 1 1 68 68 VAL HG21 H 1 1.041 0.02 . 2 . . . . 68 VAL HG2 . 19558 1 406 . 1 1 68 68 VAL HG22 H 1 1.041 0.02 . 2 . . . . 68 VAL HG2 . 19558 1 407 . 1 1 68 68 VAL HG23 H 1 1.041 0.02 . 2 . . . . 68 VAL HG2 . 19558 1 408 . 1 1 68 68 VAL C C 13 174.269 0.30 . 1 . . . . 68 VAL C . 19558 1 409 . 1 1 68 68 VAL CA C 13 59.156 0.30 . 1 . . . . 68 VAL CA . 19558 1 410 . 1 1 68 68 VAL CB C 13 35.696 0.30 . 1 . . . . 68 VAL CB . 19558 1 411 . 1 1 68 68 VAL CG1 C 13 19.538 0.30 . 1 . . . . 68 VAL CG1 . 19558 1 412 . 1 1 68 68 VAL CG2 C 13 21.951 0.30 . 1 . . . . 68 VAL CG2 . 19558 1 413 . 1 1 68 68 VAL N N 15 118.200 0.30 . 1 . . . . 68 VAL N . 19558 1 414 . 1 1 69 69 ALA H H 1 8.372 0.02 . 1 . . . . 69 ALA H . 19558 1 415 . 1 1 69 69 ALA C C 13 175.108 0.30 . 1 . . . . 69 ALA C . 19558 1 416 . 1 1 69 69 ALA CA C 13 51.134 0.30 . 1 . . . . 69 ALA CA . 19558 1 417 . 1 1 69 69 ALA CB C 13 21.714 0.30 . 1 . . . . 69 ALA CB . 19558 1 418 . 1 1 69 69 ALA N N 15 121.478 0.30 . 1 . . . . 69 ALA N . 19558 1 419 . 1 1 70 70 LEU H H 1 9.123 0.02 . 1 . . . . 70 LEU H . 19558 1 420 . 1 1 70 70 LEU C C 13 175.052 0.30 . 1 . . . . 70 LEU C . 19558 1 421 . 1 1 70 70 LEU CA C 13 54.556 0.30 . 1 . . . . 70 LEU CA . 19558 1 422 . 1 1 70 70 LEU CB C 13 46.326 0.30 . 1 . . . . 70 LEU CB . 19558 1 423 . 1 1 70 70 LEU N N 15 124.335 0.30 . 1 . . . . 70 LEU N . 19558 1 424 . 1 1 71 71 TYR H H 1 9.654 0.02 . 1 . . . . 71 TYR H . 19558 1 425 . 1 1 71 71 TYR C C 13 178.042 0.30 . 1 . . . . 71 TYR C . 19558 1 426 . 1 1 71 71 TYR CA C 13 55.711 0.30 . 1 . . . . 71 TYR CA . 19558 1 427 . 1 1 71 71 TYR CB C 13 40.405 0.30 . 1 . . . . 71 TYR CB . 19558 1 428 . 1 1 71 71 TYR N N 15 125.056 0.30 . 1 . . . . 71 TYR N . 19558 1 429 . 1 1 72 72 SER H H 1 9.487 0.02 . 1 . . . . 72 SER H . 19558 1 430 . 1 1 72 72 SER C C 13 176.143 0.30 . 1 . . . . 72 SER C . 19558 1 431 . 1 1 72 72 SER CA C 13 56.486 0.30 . 1 . . . . 72 SER CA . 19558 1 432 . 1 1 72 72 SER CB C 13 65.395 0.30 . 1 . . . . 72 SER CB . 19558 1 433 . 1 1 72 72 SER N N 15 115.899 0.30 . 1 . . . . 72 SER N . 19558 1 434 . 1 1 73 73 ARG H H 1 8.219 0.02 . 1 . . . . 73 ARG H . 19558 1 435 . 1 1 73 73 ARG C C 13 177.628 0.30 . 1 . . . . 73 ARG C . 19558 1 436 . 1 1 73 73 ARG CA C 13 58.395 0.30 . 1 . . . . 73 ARG CA . 19558 1 437 . 1 1 73 73 ARG CB C 13 29.491 0.30 . 1 . . . . 73 ARG CB . 19558 1 438 . 1 1 73 73 ARG N N 15 130.298 0.30 . 1 . . . . 73 ARG N . 19558 1 439 . 1 1 74 74 LEU H H 1 8.215 0.02 . 1 . . . . 74 LEU H . 19558 1 440 . 1 1 74 74 LEU HD11 H 1 0.697 0.02 . 2 . . . . 74 LEU HD1 . 19558 1 441 . 1 1 74 74 LEU HD12 H 1 0.697 0.02 . 2 . . . . 74 LEU HD1 . 19558 1 442 . 1 1 74 74 LEU HD13 H 1 0.697 0.02 . 2 . . . . 74 LEU HD1 . 19558 1 443 . 1 1 74 74 LEU HD21 H 1 0.783 0.02 . 2 . . . . 74 LEU HD2 . 19558 1 444 . 1 1 74 74 LEU HD22 H 1 0.783 0.02 . 2 . . . . 74 LEU HD2 . 19558 1 445 . 1 1 74 74 LEU HD23 H 1 0.783 0.02 . 2 . . . . 74 LEU HD2 . 19558 1 446 . 1 1 74 74 LEU C C 13 177.984 0.30 . 1 . . . . 74 LEU C . 19558 1 447 . 1 1 74 74 LEU CA C 13 52.073 0.30 . 1 . . . . 74 LEU CA . 19558 1 448 . 1 1 74 74 LEU CB C 13 42.866 0.30 . 1 . . . . 74 LEU CB . 19558 1 449 . 1 1 74 74 LEU CD1 C 13 25.220 0.30 . 1 . . . . 74 LEU CD1 . 19558 1 450 . 1 1 74 74 LEU CD2 C 13 23.012 0.30 . 1 . . . . 74 LEU CD2 . 19558 1 451 . 1 1 74 74 LEU N N 15 118.677 0.30 . 1 . . . . 74 LEU N . 19558 1 452 . 1 1 75 75 GLN H H 1 8.601 0.02 . 1 . . . . 75 GLN H . 19558 1 453 . 1 1 75 75 GLN C C 13 173.658 0.30 . 1 . . . . 75 GLN C . 19558 1 454 . 1 1 75 75 GLN CA C 13 53.182 0.30 . 1 . . . . 75 GLN CA . 19558 1 455 . 1 1 75 75 GLN CB C 13 27.349 0.30 . 1 . . . . 75 GLN CB . 19558 1 456 . 1 1 75 75 GLN N N 15 127.311 0.30 . 1 . . . . 75 GLN N . 19558 1 457 . 1 1 76 76 PRO C C 13 176.723 0.30 . 1 . . . . 76 PRO C . 19558 1 458 . 1 1 76 76 PRO CA C 13 61.313 0.30 . 1 . . . . 76 PRO CA . 19558 1 459 . 1 1 76 76 PRO CB C 13 30.645 0.30 . 1 . . . . 76 PRO CB . 19558 1 460 . 1 1 77 77 LYS H H 1 8.008 0.02 . 1 . . . . 77 LYS H . 19558 1 461 . 1 1 77 77 LYS C C 13 177.242 0.30 . 1 . . . . 77 LYS C . 19558 1 462 . 1 1 77 77 LYS CA C 13 56.898 0.30 . 1 . . . . 77 LYS CA . 19558 1 463 . 1 1 77 77 LYS CB C 13 30.669 0.30 . 1 . . . . 77 LYS CB . 19558 1 464 . 1 1 77 77 LYS N N 15 120.999 0.30 . 1 . . . . 77 LYS N . 19558 1 465 . 1 1 78 78 ALA H H 1 6.819 0.02 . 1 . . . . 78 ALA H . 19558 1 466 . 1 1 78 78 ALA C C 13 175.419 0.30 . 1 . . . . 78 ALA C . 19558 1 467 . 1 1 78 78 ALA CA C 13 51.084 0.30 . 1 . . . . 78 ALA CA . 19558 1 468 . 1 1 78 78 ALA CB C 13 20.799 0.30 . 1 . . . . 78 ALA CB . 19558 1 469 . 1 1 78 78 ALA N N 15 117.556 0.30 . 1 . . . . 78 ALA N . 19558 1 470 . 1 1 79 79 VAL H H 1 8.021 0.02 . 1 . . . . 79 VAL H . 19558 1 471 . 1 1 79 79 VAL HG11 H 1 0.460 0.02 . 2 . . . . 79 VAL HG1 . 19558 1 472 . 1 1 79 79 VAL HG12 H 1 0.460 0.02 . 2 . . . . 79 VAL HG1 . 19558 1 473 . 1 1 79 79 VAL HG13 H 1 0.460 0.02 . 2 . . . . 79 VAL HG1 . 19558 1 474 . 1 1 79 79 VAL HG21 H 1 -0.069 0.02 . 2 . . . . 79 VAL HG2 . 19558 1 475 . 1 1 79 79 VAL HG22 H 1 -0.069 0.02 . 2 . . . . 79 VAL HG2 . 19558 1 476 . 1 1 79 79 VAL HG23 H 1 -0.069 0.02 . 2 . . . . 79 VAL HG2 . 19558 1 477 . 1 1 79 79 VAL C C 13 175.819 0.30 . 1 . . . . 79 VAL C . 19558 1 478 . 1 1 79 79 VAL CA C 13 60.855 0.30 . 1 . . . . 79 VAL CA . 19558 1 479 . 1 1 79 79 VAL CB C 13 32.529 0.30 . 1 . . . . 79 VAL CB . 19558 1 480 . 1 1 79 79 VAL CG1 C 13 20.638 0.30 . 1 . . . . 79 VAL CG1 . 19558 1 481 . 1 1 79 79 VAL CG2 C 13 19.889 0.30 . 1 . . . . 79 VAL CG2 . 19558 1 482 . 1 1 79 79 VAL N N 15 122.095 0.30 . 1 . . . . 79 VAL N . 19558 1 483 . 1 1 80 80 ILE H H 1 9.235 0.02 . 1 . . . . 80 ILE H . 19558 1 484 . 1 1 80 80 ILE HD11 H 1 0.679 0.02 . 1 . . . . 80 ILE HD1 . 19558 1 485 . 1 1 80 80 ILE HD12 H 1 0.679 0.02 . 1 . . . . 80 ILE HD1 . 19558 1 486 . 1 1 80 80 ILE HD13 H 1 0.679 0.02 . 1 . . . . 80 ILE HD1 . 19558 1 487 . 1 1 80 80 ILE C C 13 176.306 0.30 . 1 . . . . 80 ILE C . 19558 1 488 . 1 1 80 80 ILE CA C 13 59.358 0.30 . 1 . . . . 80 ILE CA . 19558 1 489 . 1 1 80 80 ILE CB C 13 39.900 0.30 . 1 . . . . 80 ILE CB . 19558 1 490 . 1 1 80 80 ILE CD1 C 13 13.220 0.30 . 1 . . . . 80 ILE CD1 . 19558 1 491 . 1 1 80 80 ILE N N 15 131.634 0.30 . 1 . . . . 80 ILE N . 19558 1 492 . 1 1 81 81 THR H H 1 8.471 0.02 . 1 . . . . 81 THR H . 19558 1 493 . 1 1 81 81 THR C C 13 174.615 0.30 . 1 . . . . 81 THR C . 19558 1 494 . 1 1 81 81 THR CA C 13 60.226 0.30 . 1 . . . . 81 THR CA . 19558 1 495 . 1 1 81 81 THR CB C 13 68.731 0.30 . 1 . . . . 81 THR CB . 19558 1 496 . 1 1 81 81 THR N N 15 118.541 0.30 . 1 . . . . 81 THR N . 19558 1 497 . 1 1 82 82 GLY H H 1 7.421 0.02 . 1 . . . . 82 GLY H . 19558 1 498 . 1 1 82 82 GLY C C 13 173.104 0.30 . 1 . . . . 82 GLY C . 19558 1 499 . 1 1 82 82 GLY CA C 13 44.360 0.30 . 1 . . . . 82 GLY CA . 19558 1 500 . 1 1 82 82 GLY N N 15 109.898 0.30 . 1 . . . . 82 GLY N . 19558 1 501 . 1 1 83 83 LEU H H 1 10.016 0.02 . 1 . . . . 83 LEU H . 19558 1 502 . 1 1 83 83 LEU HD11 H 1 0.855 0.02 . 2 . . . . 83 LEU HD1 . 19558 1 503 . 1 1 83 83 LEU HD12 H 1 0.855 0.02 . 2 . . . . 83 LEU HD1 . 19558 1 504 . 1 1 83 83 LEU HD13 H 1 0.855 0.02 . 2 . . . . 83 LEU HD1 . 19558 1 505 . 1 1 83 83 LEU HD21 H 1 -0.360 0.02 . 2 . . . . 83 LEU HD2 . 19558 1 506 . 1 1 83 83 LEU HD22 H 1 -0.360 0.02 . 2 . . . . 83 LEU HD2 . 19558 1 507 . 1 1 83 83 LEU HD23 H 1 -0.360 0.02 . 2 . . . . 83 LEU HD2 . 19558 1 508 . 1 1 83 83 LEU C C 13 178.177 0.30 . 1 . . . . 83 LEU C . 19558 1 509 . 1 1 83 83 LEU CA C 13 53.624 0.30 . 1 . . . . 83 LEU CA . 19558 1 510 . 1 1 83 83 LEU CB C 13 44.012 0.30 . 1 . . . . 83 LEU CB . 19558 1 511 . 1 1 83 83 LEU CD1 C 13 23.591 0.30 . 1 . . . . 83 LEU CD1 . 19558 1 512 . 1 1 83 83 LEU CD2 C 13 23.304 0.30 . 1 . . . . 83 LEU CD2 . 19558 1 513 . 1 1 83 83 LEU N N 15 124.526 0.30 . 1 . . . . 83 LEU N . 19558 1 514 . 1 1 84 84 GLY H H 1 9.509 0.02 . 1 . . . . 84 GLY H . 19558 1 515 . 1 1 84 84 GLY C C 13 174.365 0.30 . 1 . . . . 84 GLY C . 19558 1 516 . 1 1 84 84 GLY CA C 13 43.966 0.30 . 1 . . . . 84 GLY CA . 19558 1 517 . 1 1 84 84 GLY N N 15 110.550 0.30 . 1 . . . . 84 GLY N . 19558 1 518 . 1 1 85 85 PHE H H 1 6.430 0.02 . 1 . . . . 85 PHE H . 19558 1 519 . 1 1 85 85 PHE C C 13 177.741 0.30 . 1 . . . . 85 PHE C . 19558 1 520 . 1 1 85 85 PHE CA C 13 53.757 0.30 . 1 . . . . 85 PHE CA . 19558 1 521 . 1 1 85 85 PHE CB C 13 39.311 0.30 . 1 . . . . 85 PHE CB . 19558 1 522 . 1 1 85 85 PHE N N 15 115.742 0.30 . 1 . . . . 85 PHE N . 19558 1 523 . 1 1 86 86 GLU C C 13 177.996 0.30 . 1 . . . . 86 GLU C . 19558 1 524 . 1 1 86 86 GLU CA C 13 59.799 0.30 . 1 . . . . 86 GLU CA . 19558 1 525 . 1 1 86 86 GLU CB C 13 29.139 0.30 . 1 . . . . 86 GLU CB . 19558 1 526 . 1 1 87 87 THR H H 1 7.896 0.02 . 1 . . . . 87 THR H . 19558 1 527 . 1 1 87 87 THR C C 13 175.918 0.30 . 1 . . . . 87 THR C . 19558 1 528 . 1 1 87 87 THR CA C 13 64.196 0.30 . 1 . . . . 87 THR CA . 19558 1 529 . 1 1 87 87 THR CB C 13 67.421 0.30 . 1 . . . . 87 THR CB . 19558 1 530 . 1 1 87 87 THR N N 15 109.200 0.30 . 1 . . . . 87 THR N . 19558 1 531 . 1 1 88 88 ALA H H 1 7.066 0.02 . 1 . . . . 88 ALA H . 19558 1 532 . 1 1 88 88 ALA C C 13 180.241 0.30 . 1 . . . . 88 ALA C . 19558 1 533 . 1 1 88 88 ALA CA C 13 52.714 0.30 . 1 . . . . 88 ALA CA . 19558 1 534 . 1 1 88 88 ALA CB C 13 19.141 0.30 . 1 . . . . 88 ALA CB . 19558 1 535 . 1 1 88 88 ALA N N 15 120.346 0.30 . 1 . . . . 88 ALA N . 19558 1 536 . 1 1 89 89 ASP H H 1 8.189 0.02 . 1 . . . . 89 ASP H . 19558 1 537 . 1 1 89 89 ASP C C 13 180.254 0.30 . 1 . . . . 89 ASP C . 19558 1 538 . 1 1 89 89 ASP CA C 13 56.978 0.30 . 1 . . . . 89 ASP CA . 19558 1 539 . 1 1 89 89 ASP CB C 13 38.593 0.30 . 1 . . . . 89 ASP CB . 19558 1 540 . 1 1 89 89 ASP N N 15 121.129 0.30 . 1 . . . . 89 ASP N . 19558 1 541 . 1 1 90 90 ARG H H 1 8.371 0.02 . 1 . . . . 90 ARG H . 19558 1 542 . 1 1 90 90 ARG C C 13 176.658 0.30 . 1 . . . . 90 ARG C . 19558 1 543 . 1 1 90 90 ARG CA C 13 57.571 0.30 . 1 . . . . 90 ARG CA . 19558 1 544 . 1 1 90 90 ARG CB C 13 28.784 0.30 . 1 . . . . 90 ARG CB . 19558 1 545 . 1 1 90 90 ARG N N 15 120.758 0.30 . 1 . . . . 90 ARG N . 19558 1 546 . 1 1 91 91 TYR H H 1 6.834 0.02 . 1 . . . . 91 TYR H . 19558 1 547 . 1 1 91 91 TYR C C 13 174.966 0.30 . 1 . . . . 91 TYR C . 19558 1 548 . 1 1 91 91 TYR CA C 13 56.644 0.30 . 1 . . . . 91 TYR CA . 19558 1 549 . 1 1 91 91 TYR CB C 13 39.101 0.30 . 1 . . . . 91 TYR CB . 19558 1 550 . 1 1 91 91 TYR N N 15 115.466 0.30 . 1 . . . . 91 TYR N . 19558 1 551 . 1 1 92 92 GLY H H 1 7.369 0.02 . 1 . . . . 92 GLY H . 19558 1 552 . 1 1 92 92 GLY C C 13 174.254 0.30 . 1 . . . . 92 GLY C . 19558 1 553 . 1 1 92 92 GLY CA C 13 48.611 0.30 . 1 . . . . 92 GLY CA . 19558 1 554 . 1 1 92 92 GLY N N 15 111.531 0.30 . 1 . . . . 92 GLY N . 19558 1 555 . 1 1 93 93 ARG H H 1 6.876 0.02 . 1 . . . . 93 ARG H . 19558 1 556 . 1 1 93 93 ARG C C 13 175.433 0.30 . 1 . . . . 93 ARG C . 19558 1 557 . 1 1 93 93 ARG CA C 13 57.139 0.30 . 1 . . . . 93 ARG CA . 19558 1 558 . 1 1 93 93 ARG CB C 13 30.228 0.30 . 1 . . . . 93 ARG CB . 19558 1 559 . 1 1 93 93 ARG N N 15 112.311 0.30 . 1 . . . . 93 ARG N . 19558 1 560 . 1 1 94 94 TYR H H 1 7.931 0.02 . 1 . . . . 94 TYR H . 19558 1 561 . 1 1 94 94 TYR C C 13 173.568 0.30 . 1 . . . . 94 TYR C . 19558 1 562 . 1 1 94 94 TYR CA C 13 57.513 0.30 . 1 . . . . 94 TYR CA . 19558 1 563 . 1 1 94 94 TYR CB C 13 42.337 0.30 . 1 . . . . 94 TYR CB . 19558 1 564 . 1 1 94 94 TYR N N 15 119.676 0.30 . 1 . . . . 94 TYR N . 19558 1 565 . 1 1 95 95 LEU H H 1 7.289 0.02 . 1 . . . . 95 LEU H . 19558 1 566 . 1 1 95 95 LEU HD11 H 1 0.539 0.02 . 2 . . . . 95 LEU HD1 . 19558 1 567 . 1 1 95 95 LEU HD12 H 1 0.539 0.02 . 2 . . . . 95 LEU HD1 . 19558 1 568 . 1 1 95 95 LEU HD13 H 1 0.539 0.02 . 2 . . . . 95 LEU HD1 . 19558 1 569 . 1 1 95 95 LEU HD21 H 1 0.479 0.02 . 2 . . . . 95 LEU HD2 . 19558 1 570 . 1 1 95 95 LEU HD22 H 1 0.479 0.02 . 2 . . . . 95 LEU HD2 . 19558 1 571 . 1 1 95 95 LEU HD23 H 1 0.479 0.02 . 2 . . . . 95 LEU HD2 . 19558 1 572 . 1 1 95 95 LEU C C 13 173.689 0.30 . 1 . . . . 95 LEU C . 19558 1 573 . 1 1 95 95 LEU CA C 13 54.209 0.30 . 1 . . . . 95 LEU CA . 19558 1 574 . 1 1 95 95 LEU CB C 13 44.958 0.30 . 1 . . . . 95 LEU CB . 19558 1 575 . 1 1 95 95 LEU CD1 C 13 25.711 0.30 . 1 . . . . 95 LEU CD1 . 19558 1 576 . 1 1 95 95 LEU CD2 C 13 26.592 0.30 . 1 . . . . 95 LEU CD2 . 19558 1 577 . 1 1 95 95 LEU N N 15 129.694 0.30 . 1 . . . . 95 LEU N . 19558 1 578 . 1 1 96 96 GLN H H 1 8.910 0.02 . 1 . . . . 96 GLN H . 19558 1 579 . 1 1 96 96 GLN C C 13 172.409 0.30 . 1 . . . . 96 GLN C . 19558 1 580 . 1 1 96 96 GLN CA C 13 53.310 0.30 . 1 . . . . 96 GLN CA . 19558 1 581 . 1 1 96 96 GLN CB C 13 32.894 0.30 . 1 . . . . 96 GLN CB . 19558 1 582 . 1 1 96 96 GLN N N 15 127.207 0.30 . 1 . . . . 96 GLN N . 19558 1 583 . 1 1 97 97 ALA H H 1 9.255 0.02 . 1 . . . . 97 ALA H . 19558 1 584 . 1 1 97 97 ALA C C 13 175.348 0.30 . 1 . . . . 97 ALA C . 19558 1 585 . 1 1 97 97 ALA CA C 13 48.890 0.30 . 1 . . . . 97 ALA CA . 19558 1 586 . 1 1 97 97 ALA CB C 13 21.084 0.30 . 1 . . . . 97 ALA CB . 19558 1 587 . 1 1 97 97 ALA N N 15 130.125 0.30 . 1 . . . . 97 ALA N . 19558 1 588 . 1 1 98 98 ASP H H 1 8.143 0.02 . 1 . . . . 98 ASP H . 19558 1 589 . 1 1 98 98 ASP C C 13 178.499 0.30 . 1 . . . . 98 ASP C . 19558 1 590 . 1 1 98 98 ASP CA C 13 53.468 0.30 . 1 . . . . 98 ASP CA . 19558 1 591 . 1 1 98 98 ASP CB C 13 40.727 0.30 . 1 . . . . 98 ASP CB . 19558 1 592 . 1 1 98 98 ASP N N 15 123.387 0.30 . 1 . . . . 98 ASP N . 19558 1 593 . 1 1 99 99 PHE H H 1 9.637 0.02 . 1 . . . . 99 PHE H . 19558 1 594 . 1 1 99 99 PHE C C 13 173.545 0.30 . 1 . . . . 99 PHE C . 19558 1 595 . 1 1 99 99 PHE CA C 13 59.793 0.30 . 1 . . . . 99 PHE CA . 19558 1 596 . 1 1 99 99 PHE N N 15 131.029 0.30 . 1 . . . . 99 PHE N . 19558 1 597 . 1 1 100 100 ASP C C 13 177.639 0.30 . 1 . . . . 100 ASP C . 19558 1 598 . 1 1 100 100 ASP CA C 13 56.492 0.30 . 1 . . . . 100 ASP CA . 19558 1 599 . 1 1 100 100 ASP CB C 13 41.075 0.30 . 1 . . . . 100 ASP CB . 19558 1 600 . 1 1 101 101 LYS H H 1 9.214 0.02 . 1 . . . . 101 LYS H . 19558 1 601 . 1 1 101 101 LYS CA C 13 54.305 0.30 . 1 . . . . 101 LYS CA . 19558 1 602 . 1 1 101 101 LYS N N 15 121.540 0.30 . 1 . . . . 101 LYS N . 19558 1 603 . 1 1 102 102 VAL HG11 H 1 0.413 0.02 . 2 . . . . 102 VAL HG1 . 19558 1 604 . 1 1 102 102 VAL HG12 H 1 0.413 0.02 . 2 . . . . 102 VAL HG1 . 19558 1 605 . 1 1 102 102 VAL HG13 H 1 0.413 0.02 . 2 . . . . 102 VAL HG1 . 19558 1 606 . 1 1 102 102 VAL HG21 H 1 0.158 0.02 . 2 . . . . 102 VAL HG2 . 19558 1 607 . 1 1 102 102 VAL HG22 H 1 0.158 0.02 . 2 . . . . 102 VAL HG2 . 19558 1 608 . 1 1 102 102 VAL HG23 H 1 0.158 0.02 . 2 . . . . 102 VAL HG2 . 19558 1 609 . 1 1 102 102 VAL C C 13 173.862 0.30 . 1 . . . . 102 VAL C . 19558 1 610 . 1 1 102 102 VAL CA C 13 58.033 0.30 . 1 . . . . 102 VAL CA . 19558 1 611 . 1 1 102 102 VAL CB C 13 34.272 0.30 . 1 . . . . 102 VAL CB . 19558 1 612 . 1 1 102 102 VAL CG1 C 13 19.666 0.30 . 1 . . . . 102 VAL CG1 . 19558 1 613 . 1 1 102 102 VAL CG2 C 13 21.506 0.30 . 1 . . . . 102 VAL CG2 . 19558 1 614 . 1 1 103 103 SER H H 1 7.987 0.02 . 1 . . . . 103 SER H . 19558 1 615 . 1 1 103 103 SER C C 13 172.102 0.30 . 1 . . . . 103 SER C . 19558 1 616 . 1 1 103 103 SER CA C 13 57.657 0.30 . 1 . . . . 103 SER CA . 19558 1 617 . 1 1 103 103 SER CB C 13 64.018 0.30 . 1 . . . . 103 SER CB . 19558 1 618 . 1 1 103 103 SER N N 15 125.078 0.30 . 1 . . . . 103 SER N . 19558 1 619 . 1 1 104 104 ILE H H 1 9.040 0.02 . 1 . . . . 104 ILE H . 19558 1 620 . 1 1 104 104 ILE HD11 H 1 0.544 0.02 . 1 . . . . 104 ILE HD1 . 19558 1 621 . 1 1 104 104 ILE HD12 H 1 0.544 0.02 . 1 . . . . 104 ILE HD1 . 19558 1 622 . 1 1 104 104 ILE HD13 H 1 0.544 0.02 . 1 . . . . 104 ILE HD1 . 19558 1 623 . 1 1 104 104 ILE C C 13 173.751 0.30 . 1 . . . . 104 ILE C . 19558 1 624 . 1 1 104 104 ILE CA C 13 59.303 0.30 . 1 . . . . 104 ILE CA . 19558 1 625 . 1 1 104 104 ILE CB C 13 39.592 0.30 . 1 . . . . 104 ILE CB . 19558 1 626 . 1 1 104 104 ILE CD1 C 13 14.321 0.30 . 1 . . . . 104 ILE CD1 . 19558 1 627 . 1 1 104 104 ILE N N 15 124.796 0.30 . 1 . . . . 104 ILE N . 19558 1 628 . 1 1 105 105 ALA H H 1 9.134 0.02 . 1 . . . . 105 ALA H . 19558 1 629 . 1 1 105 105 ALA C C 13 176.198 0.30 . 1 . . . . 105 ALA C . 19558 1 630 . 1 1 105 105 ALA CA C 13 48.481 0.30 . 1 . . . . 105 ALA CA . 19558 1 631 . 1 1 105 105 ALA CB C 13 23.412 0.30 . 1 . . . . 105 ALA CB . 19558 1 632 . 1 1 105 105 ALA N N 15 130.579 0.30 . 1 . . . . 105 ALA N . 19558 1 633 . 1 1 106 106 THR H H 1 8.744 0.02 . 1 . . . . 106 THR H . 19558 1 634 . 1 1 106 106 THR C C 13 176.279 0.30 . 1 . . . . 106 THR C . 19558 1 635 . 1 1 106 106 THR CA C 13 56.360 0.30 . 1 . . . . 106 THR CA . 19558 1 636 . 1 1 106 106 THR CB C 13 71.158 0.30 . 1 . . . . 106 THR CB . 19558 1 637 . 1 1 106 106 THR N N 15 117.112 0.30 . 1 . . . . 106 THR N . 19558 1 638 . 1 1 107 107 LEU H H 1 8.144 0.02 . 1 . . . . 107 LEU H . 19558 1 639 . 1 1 107 107 LEU HD11 H 1 0.405 0.02 . 2 . . . . 107 LEU HD1 . 19558 1 640 . 1 1 107 107 LEU HD12 H 1 0.405 0.02 . 2 . . . . 107 LEU HD1 . 19558 1 641 . 1 1 107 107 LEU HD13 H 1 0.405 0.02 . 2 . . . . 107 LEU HD1 . 19558 1 642 . 1 1 107 107 LEU HD21 H 1 -0.087 0.02 . 2 . . . . 107 LEU HD2 . 19558 1 643 . 1 1 107 107 LEU HD22 H 1 -0.087 0.02 . 2 . . . . 107 LEU HD2 . 19558 1 644 . 1 1 107 107 LEU HD23 H 1 -0.087 0.02 . 2 . . . . 107 LEU HD2 . 19558 1 645 . 1 1 107 107 LEU C C 13 174.111 0.30 . 1 . . . . 107 LEU C . 19558 1 646 . 1 1 107 107 LEU CA C 13 52.911 0.30 . 1 . . . . 107 LEU CA . 19558 1 647 . 1 1 107 107 LEU CB C 13 45.483 0.30 . 1 . . . . 107 LEU CB . 19558 1 648 . 1 1 107 107 LEU CD1 C 13 22.395 0.30 . 1 . . . . 107 LEU CD1 . 19558 1 649 . 1 1 107 107 LEU CD2 C 13 25.683 0.30 . 1 . . . . 107 LEU CD2 . 19558 1 650 . 1 1 107 107 LEU N N 15 127.984 0.30 . 1 . . . . 107 LEU N . 19558 1 651 . 1 1 108 108 LEU H H 1 8.636 0.02 . 1 . . . . 108 LEU H . 19558 1 652 . 1 1 108 108 LEU HD11 H 1 1.215 0.02 . 2 . . . . 108 LEU HD1 . 19558 1 653 . 1 1 108 108 LEU HD12 H 1 1.215 0.02 . 2 . . . . 108 LEU HD1 . 19558 1 654 . 1 1 108 108 LEU HD13 H 1 1.215 0.02 . 2 . . . . 108 LEU HD1 . 19558 1 655 . 1 1 108 108 LEU HD21 H 1 0.917 0.02 . 2 . . . . 108 LEU HD2 . 19558 1 656 . 1 1 108 108 LEU HD22 H 1 0.917 0.02 . 2 . . . . 108 LEU HD2 . 19558 1 657 . 1 1 108 108 LEU HD23 H 1 0.917 0.02 . 2 . . . . 108 LEU HD2 . 19558 1 658 . 1 1 108 108 LEU C C 13 173.445 0.30 . 1 . . . . 108 LEU C . 19558 1 659 . 1 1 108 108 LEU CA C 13 52.285 0.30 . 1 . . . . 108 LEU CA . 19558 1 660 . 1 1 108 108 LEU CB C 13 46.672 0.30 . 1 . . . . 108 LEU CB . 19558 1 661 . 1 1 108 108 LEU CD1 C 13 23.424 0.30 . 1 . . . . 108 LEU CD1 . 19558 1 662 . 1 1 108 108 LEU CD2 C 13 25.875 0.30 . 1 . . . . 108 LEU CD2 . 19558 1 663 . 1 1 108 108 LEU N N 15 130.424 0.30 . 1 . . . . 108 LEU N . 19558 1 664 . 1 1 109 109 LEU H H 1 7.600 0.02 . 1 . . . . 109 LEU H . 19558 1 665 . 1 1 109 109 LEU C C 13 176.050 0.30 . 1 . . . . 109 LEU C . 19558 1 666 . 1 1 109 109 LEU CA C 13 51.338 0.30 . 1 . . . . 109 LEU CA . 19558 1 667 . 1 1 109 109 LEU CB C 13 40.116 0.30 . 1 . . . . 109 LEU CB . 19558 1 668 . 1 1 109 109 LEU N N 15 124.226 0.30 . 1 . . . . 109 LEU N . 19558 1 669 . 1 1 110 110 PRO C C 13 176.568 0.30 . 1 . . . . 110 PRO C . 19558 1 670 . 1 1 110 110 PRO CA C 13 60.962 0.30 . 1 . . . . 110 PRO CA . 19558 1 671 . 1 1 110 110 PRO CB C 13 30.285 0.30 . 1 . . . . 110 PRO CB . 19558 1 672 . 1 1 111 111 SER H H 1 7.757 0.02 . 1 . . . . 111 SER H . 19558 1 673 . 1 1 111 111 SER C C 13 179.221 0.30 . 1 . . . . 111 SER C . 19558 1 674 . 1 1 111 111 SER CA C 13 59.251 0.30 . 1 . . . . 111 SER CA . 19558 1 675 . 1 1 111 111 SER CB C 13 62.019 0.30 . 1 . . . . 111 SER CB . 19558 1 676 . 1 1 111 111 SER N N 15 114.704 0.30 . 1 . . . . 111 SER N . 19558 1 677 . 1 1 112 112 GLY H H 1 7.534 0.02 . 1 . . . . 112 GLY H . 19558 1 678 . 1 1 112 112 GLY C C 13 173.173 0.30 . 1 . . . . 112 GLY C . 19558 1 679 . 1 1 112 112 GLY CA C 13 44.815 0.30 . 1 . . . . 112 GLY CA . 19558 1 680 . 1 1 112 112 GLY N N 15 113.247 0.30 . 1 . . . . 112 GLY N . 19558 1 681 . 1 1 113 113 GLN H H 1 7.529 0.02 . 1 . . . . 113 GLN H . 19558 1 682 . 1 1 113 113 GLN C C 13 177.719 0.30 . 1 . . . . 113 GLN C . 19558 1 683 . 1 1 113 113 GLN CA C 13 55.735 0.30 . 1 . . . . 113 GLN CA . 19558 1 684 . 1 1 113 113 GLN CB C 13 27.314 0.30 . 1 . . . . 113 GLN CB . 19558 1 685 . 1 1 113 113 GLN N N 15 116.285 0.30 . 1 . . . . 113 GLN N . 19558 1 686 . 1 1 114 114 ASN H H 1 8.793 0.02 . 1 . . . . 114 ASN H . 19558 1 687 . 1 1 114 114 ASN C C 13 175.433 0.30 . 1 . . . . 114 ASN C . 19558 1 688 . 1 1 114 114 ASN CA C 13 52.501 0.30 . 1 . . . . 114 ASN CA . 19558 1 689 . 1 1 114 114 ASN CB C 13 37.464 0.30 . 1 . . . . 114 ASN CB . 19558 1 690 . 1 1 114 114 ASN N N 15 118.737 0.30 . 1 . . . . 114 ASN N . 19558 1 691 . 1 1 115 115 GLY H H 1 7.581 0.02 . 1 . . . . 115 GLY H . 19558 1 692 . 1 1 115 115 GLY C C 13 174.441 0.30 . 1 . . . . 115 GLY C . 19558 1 693 . 1 1 115 115 GLY CA C 13 43.478 0.30 . 1 . . . . 115 GLY CA . 19558 1 694 . 1 1 115 115 GLY N N 15 110.419 0.30 . 1 . . . . 115 GLY N . 19558 1 695 . 1 1 116 116 ASP H H 1 8.291 0.02 . 1 . . . . 116 ASP H . 19558 1 696 . 1 1 116 116 ASP C C 13 179.237 0.30 . 1 . . . . 116 ASP C . 19558 1 697 . 1 1 116 116 ASP CA C 13 57.018 0.30 . 1 . . . . 116 ASP CA . 19558 1 698 . 1 1 116 116 ASP CB C 13 39.533 0.30 . 1 . . . . 116 ASP CB . 19558 1 699 . 1 1 116 116 ASP N N 15 119.687 0.30 . 1 . . . . 116 ASP N . 19558 1 700 . 1 1 117 117 GLU H H 1 8.384 0.02 . 1 . . . . 117 GLU H . 19558 1 701 . 1 1 117 117 GLU C C 13 179.142 0.30 . 1 . . . . 117 GLU C . 19558 1 702 . 1 1 117 117 GLU CA C 13 58.502 0.30 . 1 . . . . 117 GLU CA . 19558 1 703 . 1 1 117 117 GLU CB C 13 27.312 0.30 . 1 . . . . 117 GLU CB . 19558 1 704 . 1 1 117 117 GLU N N 15 120.878 0.30 . 1 . . . . 117 GLU N . 19558 1 705 . 1 1 118 118 ASP H H 1 7.179 0.02 . 1 . . . . 118 ASP H . 19558 1 706 . 1 1 118 118 ASP C C 13 173.922 0.30 . 1 . . . . 118 ASP C . 19558 1 707 . 1 1 118 118 ASP CA C 13 55.897 0.30 . 1 . . . . 118 ASP CA . 19558 1 708 . 1 1 118 118 ASP CB C 13 41.622 0.30 . 1 . . . . 118 ASP CB . 19558 1 709 . 1 1 118 118 ASP N N 15 123.188 0.30 . 1 . . . . 118 ASP N . 19558 1 710 . 1 1 119 119 LEU H H 1 7.706 0.02 . 1 . . . . 119 LEU H . 19558 1 711 . 1 1 119 119 LEU HD11 H 1 0.497 0.02 . 2 . . . . 119 LEU HD1 . 19558 1 712 . 1 1 119 119 LEU HD12 H 1 0.497 0.02 . 2 . . . . 119 LEU HD1 . 19558 1 713 . 1 1 119 119 LEU HD13 H 1 0.497 0.02 . 2 . . . . 119 LEU HD1 . 19558 1 714 . 1 1 119 119 LEU HD21 H 1 0.583 0.02 . 2 . . . . 119 LEU HD2 . 19558 1 715 . 1 1 119 119 LEU HD22 H 1 0.583 0.02 . 2 . . . . 119 LEU HD2 . 19558 1 716 . 1 1 119 119 LEU HD23 H 1 0.583 0.02 . 2 . . . . 119 LEU HD2 . 19558 1 717 . 1 1 119 119 LEU C C 13 178.258 0.30 . 1 . . . . 119 LEU C . 19558 1 718 . 1 1 119 119 LEU CA C 13 56.674 0.30 . 1 . . . . 119 LEU CA . 19558 1 719 . 1 1 119 119 LEU CB C 13 39.655 0.30 . 1 . . . . 119 LEU CB . 19558 1 720 . 1 1 119 119 LEU CD1 C 13 23.413 0.30 . 1 . . . . 119 LEU CD1 . 19558 1 721 . 1 1 119 119 LEU CD2 C 13 25.078 0.30 . 1 . . . . 119 LEU CD2 . 19558 1 722 . 1 1 119 119 LEU N N 15 120.419 0.30 . 1 . . . . 119 LEU N . 19558 1 723 . 1 1 120 120 ASN H H 1 8.055 0.02 . 1 . . . . 120 ASN H . 19558 1 724 . 1 1 120 120 ASN C C 13 179.322 0.30 . 1 . . . . 120 ASN C . 19558 1 725 . 1 1 120 120 ASN CA C 13 55.735 0.30 . 1 . . . . 120 ASN CA . 19558 1 726 . 1 1 120 120 ASN CB C 13 37.235 0.30 . 1 . . . . 120 ASN CB . 19558 1 727 . 1 1 120 120 ASN N N 15 117.643 0.30 . 1 . . . . 120 ASN N . 19558 1 728 . 1 1 121 121 GLN H H 1 7.903 0.02 . 1 . . . . 121 GLN H . 19558 1 729 . 1 1 121 121 GLN C C 13 178.552 0.30 . 1 . . . . 121 GLN C . 19558 1 730 . 1 1 121 121 GLN CA C 13 58.502 0.30 . 1 . . . . 121 GLN CA . 19558 1 731 . 1 1 121 121 GLN CB C 13 27.816 0.30 . 1 . . . . 121 GLN CB . 19558 1 732 . 1 1 121 121 GLN N N 15 121.442 0.30 . 1 . . . . 121 GLN N . 19558 1 733 . 1 1 122 122 LYS H H 1 7.819 0.02 . 1 . . . . 122 LYS H . 19558 1 734 . 1 1 122 122 LYS C C 13 178.469 0.30 . 1 . . . . 122 LYS C . 19558 1 735 . 1 1 122 122 LYS CA C 13 59.759 0.30 . 1 . . . . 122 LYS CA . 19558 1 736 . 1 1 122 122 LYS CB C 13 32.684 0.30 . 1 . . . . 122 LYS CB . 19558 1 737 . 1 1 122 122 LYS N N 15 123.040 0.30 . 1 . . . . 122 LYS N . 19558 1 738 . 1 1 123 123 PHE H H 1 8.217 0.02 . 1 . . . . 123 PHE H . 19558 1 739 . 1 1 123 123 PHE C C 13 180.024 0.30 . 1 . . . . 123 PHE C . 19558 1 740 . 1 1 123 123 PHE CA C 13 57.617 0.30 . 1 . . . . 123 PHE CA . 19558 1 741 . 1 1 123 123 PHE CB C 13 36.065 0.30 . 1 . . . . 123 PHE CB . 19558 1 742 . 1 1 123 123 PHE N N 15 118.478 0.30 . 1 . . . . 123 PHE N . 19558 1 743 . 1 1 124 124 LYS H H 1 7.780 0.02 . 1 . . . . 124 LYS H . 19558 1 744 . 1 1 124 124 LYS C C 13 178.823 0.30 . 1 . . . . 124 LYS C . 19558 1 745 . 1 1 124 124 LYS CA C 13 58.475 0.30 . 1 . . . . 124 LYS CA . 19558 1 746 . 1 1 124 124 LYS CB C 13 30.817 0.30 . 1 . . . . 124 LYS CB . 19558 1 747 . 1 1 124 124 LYS N N 15 122.737 0.30 . 1 . . . . 124 LYS N . 19558 1 748 . 1 1 125 125 LEU H H 1 7.947 0.02 . 1 . . . . 125 LEU H . 19558 1 749 . 1 1 125 125 LEU HD21 H 1 0.904 0.02 . 2 . . . . 125 LEU HD2 . 19558 1 750 . 1 1 125 125 LEU HD22 H 1 0.904 0.02 . 2 . . . . 125 LEU HD2 . 19558 1 751 . 1 1 125 125 LEU HD23 H 1 0.904 0.02 . 2 . . . . 125 LEU HD2 . 19558 1 752 . 1 1 125 125 LEU C C 13 179.691 0.30 . 1 . . . . 125 LEU C . 19558 1 753 . 1 1 125 125 LEU CA C 13 56.871 0.30 . 1 . . . . 125 LEU CA . 19558 1 754 . 1 1 125 125 LEU CB C 13 39.294 0.30 . 1 . . . . 125 LEU CB . 19558 1 755 . 1 1 125 125 LEU CD2 C 13 27.409 0.30 . 1 . . . . 125 LEU CD2 . 19558 1 756 . 1 1 125 125 LEU N N 15 122.094 0.30 . 1 . . . . 125 LEU N . 19558 1 757 . 1 1 126 126 MET H H 1 8.591 0.02 . 1 . . . . 126 MET H . 19558 1 758 . 1 1 126 126 MET C C 13 180.059 0.30 . 1 . . . . 126 MET C . 19558 1 759 . 1 1 126 126 MET CA C 13 59.625 0.30 . 1 . . . . 126 MET CA . 19558 1 760 . 1 1 126 126 MET CB C 13 30.808 0.30 . 1 . . . . 126 MET CB . 19558 1 761 . 1 1 126 126 MET N N 15 120.941 0.30 . 1 . . . . 126 MET N . 19558 1 762 . 1 1 127 127 ASP H H 1 7.545 0.02 . 1 . . . . 127 ASP H . 19558 1 763 . 1 1 127 127 ASP C C 13 177.068 0.30 . 1 . . . . 127 ASP C . 19558 1 764 . 1 1 127 127 ASP CA C 13 57.197 0.30 . 1 . . . . 127 ASP CA . 19558 1 765 . 1 1 127 127 ASP CB C 13 40.181 0.30 . 1 . . . . 127 ASP CB . 19558 1 766 . 1 1 127 127 ASP N N 15 123.174 0.30 . 1 . . . . 127 ASP N . 19558 1 767 . 1 1 128 128 ASP H H 1 8.086 0.02 . 1 . . . . 128 ASP H . 19558 1 768 . 1 1 128 128 ASP C C 13 179.227 0.30 . 1 . . . . 128 ASP C . 19558 1 769 . 1 1 128 128 ASP CA C 13 56.991 0.30 . 1 . . . . 128 ASP CA . 19558 1 770 . 1 1 128 128 ASP CB C 13 38.442 0.30 . 1 . . . . 128 ASP CB . 19558 1 771 . 1 1 128 128 ASP N N 15 121.693 0.30 . 1 . . . . 128 ASP N . 19558 1 772 . 1 1 129 129 PHE H H 1 9.320 0.02 . 1 . . . . 129 PHE H . 19558 1 773 . 1 1 129 129 PHE C C 13 178.039 0.30 . 1 . . . . 129 PHE C . 19558 1 774 . 1 1 129 129 PHE CA C 13 60.774 0.30 . 1 . . . . 129 PHE CA . 19558 1 775 . 1 1 129 129 PHE CB C 13 38.341 0.30 . 1 . . . . 129 PHE CB . 19558 1 776 . 1 1 129 129 PHE N N 15 121.628 0.30 . 1 . . . . 129 PHE N . 19558 1 777 . 1 1 130 130 ALA H H 1 8.448 0.02 . 1 . . . . 130 ALA H . 19558 1 778 . 1 1 130 130 ALA C C 13 180.182 0.30 . 1 . . . . 130 ALA C . 19558 1 779 . 1 1 130 130 ALA CA C 13 55.134 0.30 . 1 . . . . 130 ALA CA . 19558 1 780 . 1 1 130 130 ALA CB C 13 16.218 0.30 . 1 . . . . 130 ALA CB . 19558 1 781 . 1 1 130 130 ALA N N 15 122.747 0.30 . 1 . . . . 130 ALA N . 19558 1 782 . 1 1 131 131 ARG H H 1 7.592 0.02 . 1 . . . . 131 ARG H . 19558 1 783 . 1 1 131 131 ARG C C 13 180.367 0.30 . 1 . . . . 131 ARG C . 19558 1 784 . 1 1 131 131 ARG CA C 13 58.868 0.30 . 1 . . . . 131 ARG CA . 19558 1 785 . 1 1 131 131 ARG CB C 13 28.755 0.30 . 1 . . . . 131 ARG CB . 19558 1 786 . 1 1 131 131 ARG N N 15 119.371 0.30 . 1 . . . . 131 ARG N . 19558 1 787 . 1 1 132 132 TYR H H 1 7.702 0.02 . 1 . . . . 132 TYR H . 19558 1 788 . 1 1 132 132 TYR C C 13 178.032 0.30 . 1 . . . . 132 TYR C . 19558 1 789 . 1 1 132 132 TYR CA C 13 60.478 0.30 . 1 . . . . 132 TYR CA . 19558 1 790 . 1 1 132 132 TYR CB C 13 36.678 0.30 . 1 . . . . 132 TYR CB . 19558 1 791 . 1 1 132 132 TYR N N 15 123.591 0.30 . 1 . . . . 132 TYR N . 19558 1 792 . 1 1 133 133 LEU H H 1 8.431 0.02 . 1 . . . . 133 LEU H . 19558 1 793 . 1 1 133 133 LEU HD11 H 1 -0.271 0.02 . 2 . . . . 133 LEU HD1 . 19558 1 794 . 1 1 133 133 LEU HD12 H 1 -0.271 0.02 . 2 . . . . 133 LEU HD1 . 19558 1 795 . 1 1 133 133 LEU HD13 H 1 -0.271 0.02 . 2 . . . . 133 LEU HD1 . 19558 1 796 . 1 1 133 133 LEU HD21 H 1 -0.464 0.02 . 2 . . . . 133 LEU HD2 . 19558 1 797 . 1 1 133 133 LEU HD22 H 1 -0.464 0.02 . 2 . . . . 133 LEU HD2 . 19558 1 798 . 1 1 133 133 LEU HD23 H 1 -0.464 0.02 . 2 . . . . 133 LEU HD2 . 19558 1 799 . 1 1 133 133 LEU C C 13 181.075 0.30 . 1 . . . . 133 LEU C . 19558 1 800 . 1 1 133 133 LEU CA C 13 56.272 0.30 . 1 . . . . 133 LEU CA . 19558 1 801 . 1 1 133 133 LEU CB C 13 39.461 0.30 . 1 . . . . 133 LEU CB . 19558 1 802 . 1 1 133 133 LEU CD1 C 13 25.232 0.30 . 1 . . . . 133 LEU CD1 . 19558 1 803 . 1 1 133 133 LEU CD2 C 13 20.098 0.30 . 1 . . . . 133 LEU CD2 . 19558 1 804 . 1 1 133 133 LEU N N 15 122.539 0.30 . 1 . . . . 133 LEU N . 19558 1 805 . 1 1 134 134 ASP H H 1 7.954 0.02 . 1 . . . . 134 ASP H . 19558 1 806 . 1 1 134 134 ASP C C 13 178.802 0.30 . 1 . . . . 134 ASP C . 19558 1 807 . 1 1 134 134 ASP CA C 13 56.818 0.30 . 1 . . . . 134 ASP CA . 19558 1 808 . 1 1 134 134 ASP CB C 13 40.688 0.30 . 1 . . . . 134 ASP CB . 19558 1 809 . 1 1 134 134 ASP N N 15 121.694 0.30 . 1 . . . . 134 ASP N . 19558 1 810 . 1 1 135 135 LYS H H 1 7.067 0.02 . 1 . . . . 135 LYS H . 19558 1 811 . 1 1 135 135 LYS C C 13 180.717 0.30 . 1 . . . . 135 LYS C . 19558 1 812 . 1 1 135 135 LYS CA C 13 57.714 0.30 . 1 . . . . 135 LYS CA . 19558 1 813 . 1 1 135 135 LYS CB C 13 31.027 0.30 . 1 . . . . 135 LYS CB . 19558 1 814 . 1 1 135 135 LYS N N 15 118.245 0.30 . 1 . . . . 135 LYS N . 19558 1 815 . 1 1 136 136 GLN H H 1 8.104 0.02 . 1 . . . . 136 GLN H . 19558 1 816 . 1 1 136 136 GLN C C 13 179.398 0.30 . 1 . . . . 136 GLN C . 19558 1 817 . 1 1 136 136 GLN CA C 13 56.524 0.30 . 1 . . . . 136 GLN CA . 19558 1 818 . 1 1 136 136 GLN CB C 13 27.816 0.30 . 1 . . . . 136 GLN CB . 19558 1 819 . 1 1 136 136 GLN N N 15 120.857 0.30 . 1 . . . . 136 GLN N . 19558 1 820 . 1 1 137 137 ARG H H 1 7.650 0.02 . 1 . . . . 137 ARG H . 19558 1 821 . 1 1 137 137 ARG C C 13 177.360 0.30 . 1 . . . . 137 ARG C . 19558 1 822 . 1 1 137 137 ARG CA C 13 57.045 0.30 . 1 . . . . 137 ARG CA . 19558 1 823 . 1 1 137 137 ARG CB C 13 27.652 0.30 . 1 . . . . 137 ARG CB . 19558 1 824 . 1 1 137 137 ARG N N 15 117.939 0.30 . 1 . . . . 137 ARG N . 19558 1 825 . 1 1 138 138 ARG H H 1 7.139 0.02 . 1 . . . . 138 ARG H . 19558 1 826 . 1 1 138 138 ARG C C 13 177.690 0.30 . 1 . . . . 138 ARG C . 19558 1 827 . 1 1 138 138 ARG CA C 13 55.334 0.30 . 1 . . . . 138 ARG CA . 19558 1 828 . 1 1 138 138 ARG CB C 13 28.689 0.30 . 1 . . . . 138 ARG CB . 19558 1 829 . 1 1 138 138 ARG N N 15 117.678 0.30 . 1 . . . . 138 ARG N . 19558 1 830 . 1 1 139 139 LYS H H 1 7.533 0.02 . 1 . . . . 139 LYS H . 19558 1 831 . 1 1 139 139 LYS C C 13 177.582 0.30 . 1 . . . . 139 LYS C . 19558 1 832 . 1 1 139 139 LYS CA C 13 55.000 0.30 . 1 . . . . 139 LYS CA . 19558 1 833 . 1 1 139 139 LYS CB C 13 31.847 0.30 . 1 . . . . 139 LYS CB . 19558 1 834 . 1 1 139 139 LYS N N 15 121.261 0.30 . 1 . . . . 139 LYS N . 19558 1 835 . 1 1 140 140 ARG H H 1 8.438 0.02 . 1 . . . . 140 ARG H . 19558 1 836 . 1 1 140 140 ARG C C 13 176.479 0.30 . 1 . . . . 140 ARG C . 19558 1 837 . 1 1 140 140 ARG CA C 13 55.000 0.30 . 1 . . . . 140 ARG CA . 19558 1 838 . 1 1 140 140 ARG CB C 13 27.122 0.30 . 1 . . . . 140 ARG CB . 19558 1 839 . 1 1 140 140 ARG N N 15 124.098 0.30 . 1 . . . . 140 ARG N . 19558 1 840 . 1 1 141 141 ARG H H 1 7.518 0.02 . 1 . . . . 141 ARG H . 19558 1 841 . 1 1 141 141 ARG C C 13 174.934 0.30 . 1 . . . . 141 ARG C . 19558 1 842 . 1 1 141 141 ARG CA C 13 55.000 0.30 . 1 . . . . 141 ARG CA . 19558 1 843 . 1 1 141 141 ARG CB C 13 31.079 0.30 . 1 . . . . 141 ARG CB . 19558 1 844 . 1 1 141 141 ARG N N 15 123.337 0.30 . 1 . . . . 141 ARG N . 19558 1 845 . 1 1 142 142 GLU H H 1 7.365 0.02 . 1 . . . . 142 GLU H . 19558 1 846 . 1 1 142 142 GLU C C 13 175.779 0.30 . 1 . . . . 142 GLU C . 19558 1 847 . 1 1 142 142 GLU CA C 13 53.049 0.30 . 1 . . . . 142 GLU CA . 19558 1 848 . 1 1 142 142 GLU CB C 13 27.916 0.30 . 1 . . . . 142 GLU CB . 19558 1 849 . 1 1 142 142 GLU N N 15 122.213 0.30 . 1 . . . . 142 GLU N . 19558 1 850 . 1 1 143 143 TYR H H 1 8.963 0.02 . 1 . . . . 143 TYR H . 19558 1 851 . 1 1 143 143 TYR C C 13 174.604 0.30 . 1 . . . . 143 TYR C . 19558 1 852 . 1 1 143 143 TYR CA C 13 56.841 0.30 . 1 . . . . 143 TYR CA . 19558 1 853 . 1 1 143 143 TYR CB C 13 44.160 0.30 . 1 . . . . 143 TYR CB . 19558 1 854 . 1 1 143 143 TYR N N 15 121.031 0.30 . 1 . . . . 143 TYR N . 19558 1 855 . 1 1 144 144 ILE H H 1 7.763 0.02 . 1 . . . . 144 ILE H . 19558 1 856 . 1 1 144 144 ILE HD11 H 1 -0.138 0.02 . 1 . . . . 144 ILE HD1 . 19558 1 857 . 1 1 144 144 ILE HD12 H 1 -0.138 0.02 . 1 . . . . 144 ILE HD1 . 19558 1 858 . 1 1 144 144 ILE HD13 H 1 -0.138 0.02 . 1 . . . . 144 ILE HD1 . 19558 1 859 . 1 1 144 144 ILE C C 13 175.652 0.30 . 1 . . . . 144 ILE C . 19558 1 860 . 1 1 144 144 ILE CA C 13 60.169 0.30 . 1 . . . . 144 ILE CA . 19558 1 861 . 1 1 144 144 ILE CB C 13 39.120 0.30 . 1 . . . . 144 ILE CB . 19558 1 862 . 1 1 144 144 ILE CD1 C 13 13.149 0.30 . 1 . . . . 144 ILE CD1 . 19558 1 863 . 1 1 144 144 ILE N N 15 118.176 0.30 . 1 . . . . 144 ILE N . 19558 1 864 . 1 1 145 145 TYR H H 1 9.857 0.02 . 1 . . . . 145 TYR H . 19558 1 865 . 1 1 145 145 TYR C C 13 176.668 0.30 . 1 . . . . 145 TYR C . 19558 1 866 . 1 1 145 145 TYR CA C 13 56.503 0.30 . 1 . . . . 145 TYR CA . 19558 1 867 . 1 1 145 145 TYR CB C 13 37.774 0.30 . 1 . . . . 145 TYR CB . 19558 1 868 . 1 1 145 145 TYR N N 15 125.930 0.30 . 1 . . . . 145 TYR N . 19558 1 869 . 1 1 146 146 CYS H H 1 9.386 0.02 . 1 . . . . 146 CYS H . 19558 1 870 . 1 1 146 146 CYS C C 13 174.558 0.30 . 1 . . . . 146 CYS C . 19558 1 871 . 1 1 146 146 CYS CA C 13 57.505 0.30 . 1 . . . . 146 CYS CA . 19558 1 872 . 1 1 146 146 CYS CB C 13 24.455 0.30 . 1 . . . . 146 CYS CB . 19558 1 873 . 1 1 146 146 CYS N N 15 126.527 0.30 . 1 . . . . 146 CYS N . 19558 1 874 . 1 1 147 147 GLY H H 1 8.668 0.02 . 1 . . . . 147 GLY H . 19558 1 875 . 1 1 147 147 GLY C C 13 172.300 0.30 . 1 . . . . 147 GLY C . 19558 1 876 . 1 1 147 147 GLY CA C 13 44.093 0.30 . 1 . . . . 147 GLY CA . 19558 1 877 . 1 1 147 147 GLY N N 15 111.417 0.30 . 1 . . . . 147 GLY N . 19558 1 878 . 1 1 148 148 SER H H 1 8.407 0.02 . 1 . . . . 148 SER H . 19558 1 879 . 1 1 148 148 SER C C 13 174.663 0.30 . 1 . . . . 148 SER C . 19558 1 880 . 1 1 148 148 SER CA C 13 56.176 0.30 . 1 . . . . 148 SER CA . 19558 1 881 . 1 1 148 148 SER CB C 13 61.400 0.30 . 1 . . . . 148 SER CB . 19558 1 882 . 1 1 148 148 SER N N 15 124.626 0.30 . 1 . . . . 148 SER N . 19558 1 883 . 1 1 149 149 LEU H H 1 7.749 0.02 . 1 . . . . 149 LEU H . 19558 1 884 . 1 1 149 149 LEU HD11 H 1 0.574 0.02 . 2 . . . . 149 LEU HD1 . 19558 1 885 . 1 1 149 149 LEU HD12 H 1 0.574 0.02 . 2 . . . . 149 LEU HD1 . 19558 1 886 . 1 1 149 149 LEU HD13 H 1 0.574 0.02 . 2 . . . . 149 LEU HD1 . 19558 1 887 . 1 1 149 149 LEU C C 13 175.167 0.30 . 1 . . . . 149 LEU C . 19558 1 888 . 1 1 149 149 LEU CA C 13 54.572 0.30 . 1 . . . . 149 LEU CA . 19558 1 889 . 1 1 149 149 LEU CB C 13 41.884 0.30 . 1 . . . . 149 LEU CB . 19558 1 890 . 1 1 149 149 LEU CD1 C 13 25.083 0.30 . 1 . . . . 149 LEU CD1 . 19558 1 891 . 1 1 149 149 LEU N N 15 121.582 0.30 . 1 . . . . 149 LEU N . 19558 1 892 . 1 1 150 150 TYR H H 1 7.243 0.02 . 1 . . . . 150 TYR H . 19558 1 893 . 1 1 150 150 TYR C C 13 174.966 0.30 . 1 . . . . 150 TYR C . 19558 1 894 . 1 1 150 150 TYR CA C 13 58.502 0.30 . 1 . . . . 150 TYR CA . 19558 1 895 . 1 1 150 150 TYR CB C 13 33.495 0.30 . 1 . . . . 150 TYR CB . 19558 1 896 . 1 1 150 150 TYR N N 15 106.534 0.30 . 1 . . . . 150 TYR N . 19558 1 897 . 1 1 151 151 VAL H H 1 6.417 0.02 . 1 . . . . 151 VAL H . 19558 1 898 . 1 1 151 151 VAL HG11 H 1 0.863 0.02 . 2 . . . . 151 VAL HG1 . 19558 1 899 . 1 1 151 151 VAL HG12 H 1 0.863 0.02 . 2 . . . . 151 VAL HG1 . 19558 1 900 . 1 1 151 151 VAL HG13 H 1 0.863 0.02 . 2 . . . . 151 VAL HG1 . 19558 1 901 . 1 1 151 151 VAL HG21 H 1 0.781 0.02 . 2 . . . . 151 VAL HG2 . 19558 1 902 . 1 1 151 151 VAL HG22 H 1 0.781 0.02 . 2 . . . . 151 VAL HG2 . 19558 1 903 . 1 1 151 151 VAL HG23 H 1 0.781 0.02 . 2 . . . . 151 VAL HG2 . 19558 1 904 . 1 1 151 151 VAL C C 13 174.764 0.30 . 1 . . . . 151 VAL C . 19558 1 905 . 1 1 151 151 VAL CA C 13 61.376 0.30 . 1 . . . . 151 VAL CA . 19558 1 906 . 1 1 151 151 VAL CB C 13 36.441 0.30 . 1 . . . . 151 VAL CB . 19558 1 907 . 1 1 151 151 VAL CG1 C 13 22.355 0.30 . 1 . . . . 151 VAL CG1 . 19558 1 908 . 1 1 151 151 VAL CG2 C 13 21.551 0.30 . 1 . . . . 151 VAL CG2 . 19558 1 909 . 1 1 151 151 VAL N N 15 114.853 0.30 . 1 . . . . 151 VAL N . 19558 1 910 . 1 1 152 152 ALA H H 1 9.552 0.02 . 1 . . . . 152 ALA H . 19558 1 911 . 1 1 152 152 ALA C C 13 175.599 0.30 . 1 . . . . 152 ALA C . 19558 1 912 . 1 1 152 152 ALA CA C 13 49.947 0.30 . 1 . . . . 152 ALA CA . 19558 1 913 . 1 1 152 152 ALA CB C 13 19.904 0.30 . 1 . . . . 152 ALA CB . 19558 1 914 . 1 1 152 152 ALA N N 15 134.317 0.30 . 1 . . . . 152 ALA N . 19558 1 915 . 1 1 153 153 GLN H H 1 7.385 0.02 . 1 . . . . 153 GLN H . 19558 1 916 . 1 1 153 153 GLN C C 13 176.971 0.30 . 1 . . . . 153 GLN C . 19558 1 917 . 1 1 153 153 GLN CA C 13 59.465 0.30 . 1 . . . . 153 GLN CA . 19558 1 918 . 1 1 153 153 GLN CB C 13 28.487 0.30 . 1 . . . . 153 GLN CB . 19558 1 919 . 1 1 153 153 GLN N N 15 120.942 0.30 . 1 . . . . 153 GLN N . 19558 1 920 . 1 1 154 154 GLN H H 1 9.292 0.02 . 1 . . . . 154 GLN H . 19558 1 921 . 1 1 154 154 GLN C C 13 177.263 0.30 . 1 . . . . 154 GLN C . 19558 1 922 . 1 1 154 154 GLN CA C 13 53.383 0.30 . 1 . . . . 154 GLN CA . 19558 1 923 . 1 1 154 154 GLN CB C 13 31.047 0.30 . 1 . . . . 154 GLN CB . 19558 1 924 . 1 1 154 154 GLN N N 15 116.682 0.30 . 1 . . . . 154 GLN N . 19558 1 925 . 1 1 155 155 LYS H H 1 8.540 0.02 . 1 . . . . 155 LYS H . 19558 1 926 . 1 1 155 155 LYS C C 13 178.365 0.30 . 1 . . . . 155 LYS C . 19558 1 927 . 1 1 155 155 LYS CA C 13 59.759 0.30 . 1 . . . . 155 LYS CA . 19558 1 928 . 1 1 155 155 LYS CB C 13 30.490 0.30 . 1 . . . . 155 LYS CB . 19558 1 929 . 1 1 155 155 LYS N N 15 122.629 0.30 . 1 . . . . 155 LYS N . 19558 1 930 . 1 1 156 156 LEU H H 1 7.230 0.02 . 1 . . . . 156 LEU H . 19558 1 931 . 1 1 156 156 LEU HD11 H 1 0.781 0.02 . 2 . . . . 156 LEU HD1 . 19558 1 932 . 1 1 156 156 LEU HD12 H 1 0.781 0.02 . 2 . . . . 156 LEU HD1 . 19558 1 933 . 1 1 156 156 LEU HD13 H 1 0.781 0.02 . 2 . . . . 156 LEU HD1 . 19558 1 934 . 1 1 156 156 LEU HD21 H 1 0.640 0.02 . 2 . . . . 156 LEU HD2 . 19558 1 935 . 1 1 156 156 LEU HD22 H 1 0.640 0.02 . 2 . . . . 156 LEU HD2 . 19558 1 936 . 1 1 156 156 LEU HD23 H 1 0.640 0.02 . 2 . . . . 156 LEU HD2 . 19558 1 937 . 1 1 156 156 LEU C C 13 179.015 0.30 . 1 . . . . 156 LEU C . 19558 1 938 . 1 1 156 156 LEU CA C 13 55.321 0.30 . 1 . . . . 156 LEU CA . 19558 1 939 . 1 1 156 156 LEU CB C 13 42.111 0.30 . 1 . . . . 156 LEU CB . 19558 1 940 . 1 1 156 156 LEU CD1 C 13 23.748 0.30 . 1 . . . . 156 LEU CD1 . 19558 1 941 . 1 1 156 156 LEU CD2 C 13 24.006 0.30 . 1 . . . . 156 LEU CD2 . 19558 1 942 . 1 1 156 156 LEU N N 15 115.767 0.30 . 1 . . . . 156 LEU N . 19558 1 943 . 1 1 157 157 ASP H H 1 8.087 0.02 . 1 . . . . 157 ASP H . 19558 1 944 . 1 1 157 157 ASP C C 13 173.729 0.30 . 1 . . . . 157 ASP C . 19558 1 945 . 1 1 157 157 ASP CA C 13 55.215 0.30 . 1 . . . . 157 ASP CA . 19558 1 946 . 1 1 157 157 ASP CB C 13 42.385 0.30 . 1 . . . . 157 ASP CB . 19558 1 947 . 1 1 157 157 ASP N N 15 119.070 0.30 . 1 . . . . 157 ASP N . 19558 1 948 . 1 1 158 158 ILE H H 1 7.436 0.02 . 1 . . . . 158 ILE H . 19558 1 949 . 1 1 158 158 ILE HD11 H 1 -0.592 0.02 . 1 . . . . 158 ILE HD1 . 19558 1 950 . 1 1 158 158 ILE HD12 H 1 -0.592 0.02 . 1 . . . . 158 ILE HD1 . 19558 1 951 . 1 1 158 158 ILE HD13 H 1 -0.592 0.02 . 1 . . . . 158 ILE HD1 . 19558 1 952 . 1 1 158 158 ILE C C 13 175.275 0.30 . 1 . . . . 158 ILE C . 19558 1 953 . 1 1 158 158 ILE CA C 13 59.317 0.30 . 1 . . . . 158 ILE CA . 19558 1 954 . 1 1 158 158 ILE CB C 13 40.792 0.30 . 1 . . . . 158 ILE CB . 19558 1 955 . 1 1 158 158 ILE CD1 C 13 14.068 0.30 . 1 . . . . 158 ILE CD1 . 19558 1 956 . 1 1 158 158 ILE N N 15 120.518 0.30 . 1 . . . . 158 ILE N . 19558 1 957 . 1 1 159 159 LYS H H 1 6.840 0.02 . 1 . . . . 159 LYS H . 19558 1 958 . 1 1 159 159 LYS C C 13 178.230 0.30 . 1 . . . . 159 LYS C . 19558 1 959 . 1 1 159 159 LYS CA C 13 58.368 0.30 . 1 . . . . 159 LYS CA . 19558 1 960 . 1 1 159 159 LYS CB C 13 29.495 0.30 . 1 . . . . 159 LYS CB . 19558 1 961 . 1 1 159 159 LYS N N 15 128.002 0.30 . 1 . . . . 159 LYS N . 19558 1 962 . 1 1 160 160 ASN H H 1 8.114 0.02 . 1 . . . . 160 ASN H . 19558 1 963 . 1 1 160 160 ASN C C 13 176.594 0.30 . 1 . . . . 160 ASN C . 19558 1 964 . 1 1 160 160 ASN CA C 13 49.774 0.30 . 1 . . . . 160 ASN CA . 19558 1 965 . 1 1 160 160 ASN CB C 13 35.680 0.30 . 1 . . . . 160 ASN CB . 19558 1 966 . 1 1 160 160 ASN N N 15 119.524 0.30 . 1 . . . . 160 ASN N . 19558 1 967 . 1 1 161 161 TRP H H 1 6.883 0.02 . 1 . . . . 161 TRP H . 19558 1 968 . 1 1 161 161 TRP C C 13 178.635 0.30 . 1 . . . . 161 TRP C . 19558 1 969 . 1 1 161 161 TRP CA C 13 58.074 0.30 . 1 . . . . 161 TRP CA . 19558 1 970 . 1 1 161 161 TRP CB C 13 27.183 0.30 . 1 . . . . 161 TRP CB . 19558 1 971 . 1 1 161 161 TRP N N 15 122.887 0.30 . 1 . . . . 161 TRP N . 19558 1 972 . 1 1 162 162 ARG H H 1 7.017 0.02 . 1 . . . . 162 ARG H . 19558 1 973 . 1 1 162 162 ARG C C 13 179.204 0.30 . 1 . . . . 162 ARG C . 19558 1 974 . 1 1 162 162 ARG CA C 13 58.876 0.30 . 1 . . . . 162 ARG CA . 19558 1 975 . 1 1 162 162 ARG CB C 13 27.969 0.30 . 1 . . . . 162 ARG CB . 19558 1 976 . 1 1 162 162 ARG N N 15 124.157 0.30 . 1 . . . . 162 ARG N . 19558 1 977 . 1 1 163 163 ASP H H 1 6.989 0.02 . 1 . . . . 163 ASP H . 19558 1 978 . 1 1 163 163 ASP C C 13 178.107 0.30 . 1 . . . . 163 ASP C . 19558 1 979 . 1 1 163 163 ASP CA C 13 53.893 0.30 . 1 . . . . 163 ASP CA . 19558 1 980 . 1 1 163 163 ASP CB C 13 40.083 0.30 . 1 . . . . 163 ASP CB . 19558 1 981 . 1 1 163 163 ASP N N 15 117.667 0.30 . 1 . . . . 163 ASP N . 19558 1 982 . 1 1 164 164 SER H H 1 7.291 0.02 . 1 . . . . 164 SER H . 19558 1 983 . 1 1 164 164 SER C C 13 175.488 0.30 . 1 . . . . 164 SER C . 19558 1 984 . 1 1 164 164 SER CA C 13 59.010 0.30 . 1 . . . . 164 SER CA . 19558 1 985 . 1 1 164 164 SER CB C 13 63.362 0.30 . 1 . . . . 164 SER CB . 19558 1 986 . 1 1 164 164 SER N N 15 116.224 0.30 . 1 . . . . 164 SER N . 19558 1 987 . 1 1 165 165 GLN H H 1 7.860 0.02 . 1 . . . . 165 GLN H . 19558 1 988 . 1 1 165 165 GLN C C 13 176.018 0.30 . 1 . . . . 165 GLN C . 19558 1 989 . 1 1 165 165 GLN CA C 13 57.868 0.30 . 1 . . . . 165 GLN CA . 19558 1 990 . 1 1 165 165 GLN CB C 13 28.754 0.30 . 1 . . . . 165 GLN CB . 19558 1 991 . 1 1 165 165 GLN N N 15 118.898 0.30 . 1 . . . . 165 GLN N . 19558 1 992 . 1 1 166 166 GLN H H 1 8.152 0.02 . 1 . . . . 166 GLN H . 19558 1 993 . 1 1 166 166 GLN C C 13 176.405 0.30 . 1 . . . . 166 GLN C . 19558 1 994 . 1 1 166 166 GLN CA C 13 53.931 0.30 . 1 . . . . 166 GLN CA . 19558 1 995 . 1 1 166 166 GLN CB C 13 27.314 0.30 . 1 . . . . 166 GLN CB . 19558 1 996 . 1 1 166 166 GLN N N 15 117.151 0.30 . 1 . . . . 166 GLN N . 19558 1 997 . 1 1 167 167 SER H H 1 7.591 0.02 . 1 . . . . 167 SER H . 19558 1 998 . 1 1 167 167 SER C C 13 171.080 0.30 . 1 . . . . 167 SER C . 19558 1 999 . 1 1 167 167 SER CA C 13 55.562 0.30 . 1 . . . . 167 SER CA . 19558 1 1000 . 1 1 167 167 SER CB C 13 63.832 0.30 . 1 . . . . 167 SER CB . 19558 1 1001 . 1 1 167 167 SER N N 15 120.251 0.30 . 1 . . . . 167 SER N . 19558 1 1002 . 1 1 170 170 PHE C C 13 177.123 0.30 . 1 . . . . 170 PHE C . 19558 1 1003 . 1 1 170 170 PHE CA C 13 56.096 0.30 . 1 . . . . 170 PHE CA . 19558 1 1004 . 1 1 170 170 PHE CB C 13 41.036 0.30 . 1 . . . . 170 PHE CB . 19558 1 1005 . 1 1 171 171 LEU H H 1 9.266 0.02 . 1 . . . . 171 LEU H . 19558 1 1006 . 1 1 171 171 LEU HD11 H 1 0.936 0.02 . 2 . . . . 171 LEU HD1 . 19558 1 1007 . 1 1 171 171 LEU HD12 H 1 0.936 0.02 . 2 . . . . 171 LEU HD1 . 19558 1 1008 . 1 1 171 171 LEU HD13 H 1 0.936 0.02 . 2 . . . . 171 LEU HD1 . 19558 1 1009 . 1 1 171 171 LEU HD21 H 1 0.695 0.02 . 2 . . . . 171 LEU HD2 . 19558 1 1010 . 1 1 171 171 LEU HD22 H 1 0.695 0.02 . 2 . . . . 171 LEU HD2 . 19558 1 1011 . 1 1 171 171 LEU HD23 H 1 0.695 0.02 . 2 . . . . 171 LEU HD2 . 19558 1 1012 . 1 1 171 171 LEU C C 13 180.798 0.30 . 1 . . . . 171 LEU C . 19558 1 1013 . 1 1 171 171 LEU CA C 13 54.197 0.30 . 1 . . . . 171 LEU CA . 19558 1 1014 . 1 1 171 171 LEU CB C 13 41.759 0.30 . 1 . . . . 171 LEU CB . 19558 1 1015 . 1 1 171 171 LEU CD1 C 13 25.893 0.30 . 1 . . . . 171 LEU CD1 . 19558 1 1016 . 1 1 171 171 LEU CD2 C 13 22.056 0.30 . 1 . . . . 171 LEU CD2 . 19558 1 1017 . 1 1 171 171 LEU N N 15 122.240 0.30 . 1 . . . . 171 LEU N . 19558 1 1018 . 1 1 172 172 ALA H H 1 9.162 0.02 . 1 . . . . 172 ALA H . 19558 1 1019 . 1 1 172 172 ALA C C 13 178.275 0.30 . 1 . . . . 172 ALA C . 19558 1 1020 . 1 1 172 172 ALA CA C 13 56.764 0.30 . 1 . . . . 172 ALA CA . 19558 1 1021 . 1 1 172 172 ALA CB C 13 14.278 0.30 . 1 . . . . 172 ALA CB . 19558 1 1022 . 1 1 172 172 ALA N N 15 127.355 0.30 . 1 . . . . 172 ALA N . 19558 1 1023 . 1 1 173 173 PRO C C 13 180.581 0.30 . 1 . . . . 173 PRO C . 19558 1 1024 . 1 1 173 173 PRO CA C 13 64.544 0.30 . 1 . . . . 173 PRO CA . 19558 1 1025 . 1 1 173 173 PRO CB C 13 29.730 0.30 . 1 . . . . 173 PRO CB . 19558 1 1026 . 1 1 174 174 GLU H H 1 6.869 0.02 . 1 . . . . 174 GLU H . 19558 1 1027 . 1 1 174 174 GLU C C 13 178.982 0.30 . 1 . . . . 174 GLU C . 19558 1 1028 . 1 1 174 174 GLU CA C 13 58.368 0.30 . 1 . . . . 174 GLU CA . 19558 1 1029 . 1 1 174 174 GLU CB C 13 28.606 0.30 . 1 . . . . 174 GLU CB . 19558 1 1030 . 1 1 174 174 GLU N N 15 119.378 0.30 . 1 . . . . 174 GLU N . 19558 1 1031 . 1 1 175 175 ARG H H 1 7.933 0.02 . 1 . . . . 175 ARG H . 19558 1 1032 . 1 1 175 175 ARG C C 13 179.607 0.30 . 1 . . . . 175 ARG C . 19558 1 1033 . 1 1 175 175 ARG CA C 13 59.157 0.30 . 1 . . . . 175 ARG CA . 19558 1 1034 . 1 1 175 175 ARG CB C 13 29.844 0.30 . 1 . . . . 175 ARG CB . 19558 1 1035 . 1 1 175 175 ARG N N 15 120.342 0.30 . 1 . . . . 175 ARG N . 19558 1 1036 . 1 1 176 176 ALA H H 1 7.922 0.02 . 1 . . . . 176 ALA H . 19558 1 1037 . 1 1 176 176 ALA C C 13 180.646 0.30 . 1 . . . . 176 ALA C . 19558 1 1038 . 1 1 176 176 ALA CA C 13 53.904 0.30 . 1 . . . . 176 ALA CA . 19558 1 1039 . 1 1 176 176 ALA CB C 13 16.921 0.30 . 1 . . . . 176 ALA CB . 19558 1 1040 . 1 1 176 176 ALA N N 15 120.157 0.30 . 1 . . . . 176 ALA N . 19558 1 1041 . 1 1 177 177 TRP H H 1 7.394 0.02 . 1 . . . . 177 TRP H . 19558 1 1042 . 1 1 177 177 TRP C C 13 178.300 0.30 . 1 . . . . 177 TRP C . 19558 1 1043 . 1 1 177 177 TRP CA C 13 60.387 0.30 . 1 . . . . 177 TRP CA . 19558 1 1044 . 1 1 177 177 TRP CB C 13 27.614 0.30 . 1 . . . . 177 TRP CB . 19558 1 1045 . 1 1 177 177 TRP N N 15 123.115 0.30 . 1 . . . . 177 TRP N . 19558 1 1046 . 1 1 178 178 MET H H 1 7.480 0.02 . 1 . . . . 178 MET H . 19558 1 1047 . 1 1 178 178 MET C C 13 178.706 0.30 . 1 . . . . 178 MET C . 19558 1 1048 . 1 1 178 178 MET CA C 13 56.738 0.30 . 1 . . . . 178 MET CA . 19558 1 1049 . 1 1 178 178 MET CB C 13 29.409 0.30 . 1 . . . . 178 MET CB . 19558 1 1050 . 1 1 178 178 MET N N 15 118.413 0.30 . 1 . . . . 178 MET N . 19558 1 1051 . 1 1 179 179 ASP H H 1 8.367 0.02 . 1 . . . . 179 ASP H . 19558 1 1052 . 1 1 179 179 ASP C C 13 179.830 0.30 . 1 . . . . 179 ASP C . 19558 1 1053 . 1 1 179 179 ASP CA C 13 56.584 0.30 . 1 . . . . 179 ASP CA . 19558 1 1054 . 1 1 179 179 ASP CB C 13 39.414 0.30 . 1 . . . . 179 ASP CB . 19558 1 1055 . 1 1 179 179 ASP N N 15 120.024 0.30 . 1 . . . . 179 ASP N . 19558 1 1056 . 1 1 180 180 GLU H H 1 7.627 0.02 . 1 . . . . 180 GLU H . 19558 1 1057 . 1 1 180 180 GLU C C 13 178.594 0.30 . 1 . . . . 180 GLU C . 19558 1 1058 . 1 1 180 180 GLU CA C 13 58.155 0.30 . 1 . . . . 180 GLU CA . 19558 1 1059 . 1 1 180 180 GLU CB C 13 27.914 0.30 . 1 . . . . 180 GLU CB . 19558 1 1060 . 1 1 180 180 GLU N N 15 122.492 0.30 . 1 . . . . 180 GLU N . 19558 1 1061 . 1 1 181 181 ILE H H 1 7.233 0.02 . 1 . . . . 181 ILE H . 19558 1 1062 . 1 1 181 181 ILE HD11 H 1 -0.648 0.02 . 1 . . . . 181 ILE HD1 . 19558 1 1063 . 1 1 181 181 ILE HD12 H 1 -0.648 0.02 . 1 . . . . 181 ILE HD1 . 19558 1 1064 . 1 1 181 181 ILE HD13 H 1 -0.648 0.02 . 1 . . . . 181 ILE HD1 . 19558 1 1065 . 1 1 181 181 ILE C C 13 177.124 0.30 . 1 . . . . 181 ILE C . 19558 1 1066 . 1 1 181 181 ILE CA C 13 64.731 0.30 . 1 . . . . 181 ILE CA . 19558 1 1067 . 1 1 181 181 ILE CB C 13 37.149 0.30 . 1 . . . . 181 ILE CB . 19558 1 1068 . 1 1 181 181 ILE CD1 C 13 10.823 0.30 . 1 . . . . 181 ILE CD1 . 19558 1 1069 . 1 1 181 181 ILE N N 15 121.268 0.30 . 1 . . . . 181 ILE N . 19558 1 1070 . 1 1 182 182 VAL H H 1 7.895 0.02 . 1 . . . . 182 VAL H . 19558 1 1071 . 1 1 182 182 VAL HG11 H 1 0.741 0.02 . 2 . . . . 182 VAL HG1 . 19558 1 1072 . 1 1 182 182 VAL HG12 H 1 0.741 0.02 . 2 . . . . 182 VAL HG1 . 19558 1 1073 . 1 1 182 182 VAL HG13 H 1 0.741 0.02 . 2 . . . . 182 VAL HG1 . 19558 1 1074 . 1 1 182 182 VAL HG21 H 1 0.781 0.02 . 2 . . . . 182 VAL HG2 . 19558 1 1075 . 1 1 182 182 VAL HG22 H 1 0.781 0.02 . 2 . . . . 182 VAL HG2 . 19558 1 1076 . 1 1 182 182 VAL HG23 H 1 0.781 0.02 . 2 . . . . 182 VAL HG2 . 19558 1 1077 . 1 1 182 182 VAL C C 13 177.989 0.30 . 1 . . . . 182 VAL C . 19558 1 1078 . 1 1 182 182 VAL CA C 13 61.229 0.30 . 1 . . . . 182 VAL CA . 19558 1 1079 . 1 1 182 182 VAL CB C 13 30.817 0.30 . 1 . . . . 182 VAL CB . 19558 1 1080 . 1 1 182 182 VAL CG1 C 13 19.709 0.30 . 1 . . . . 182 VAL CG1 . 19558 1 1081 . 1 1 182 182 VAL CG2 C 13 20.760 0.30 . 1 . . . . 182 VAL CG2 . 19558 1 1082 . 1 1 182 182 VAL N N 15 114.077 0.30 . 1 . . . . 182 VAL N . 19558 1 1083 . 1 1 183 183 GLY H H 1 7.422 0.02 . 1 . . . . 183 GLY H . 19558 1 1084 . 1 1 183 183 GLY C C 13 176.306 0.30 . 1 . . . . 183 GLY C . 19558 1 1085 . 1 1 183 183 GLY CA C 13 45.457 0.30 . 1 . . . . 183 GLY CA . 19558 1 1086 . 1 1 183 183 GLY N N 15 111.683 0.30 . 1 . . . . 183 GLY N . 19558 1 1087 . 1 1 184 184 ASN H H 1 8.002 0.02 . 1 . . . . 184 ASN H . 19558 1 1088 . 1 1 184 184 ASN C C 13 178.129 0.30 . 1 . . . . 184 ASN C . 19558 1 1089 . 1 1 184 184 ASN CA C 13 55.348 0.30 . 1 . . . . 184 ASN CA . 19558 1 1090 . 1 1 184 184 ASN CB C 13 37.660 0.30 . 1 . . . . 184 ASN CB . 19558 1 1091 . 1 1 184 184 ASN N N 15 124.340 0.30 . 1 . . . . 184 ASN N . 19558 1 1092 . 1 1 185 185 MET H H 1 8.384 0.02 . 1 . . . . 185 MET H . 19558 1 1093 . 1 1 185 185 MET C C 13 177.956 0.30 . 1 . . . . 185 MET C . 19558 1 1094 . 1 1 185 185 MET CA C 13 57.620 0.30 . 1 . . . . 185 MET CA . 19558 1 1095 . 1 1 185 185 MET CB C 13 32.454 0.30 . 1 . . . . 185 MET CB . 19558 1 1096 . 1 1 185 185 MET N N 15 116.133 0.30 . 1 . . . . 185 MET N . 19558 1 1097 . 1 1 186 186 GLY H H 1 6.773 0.02 . 1 . . . . 186 GLY H . 19558 1 1098 . 1 1 186 186 GLY C C 13 175.669 0.30 . 1 . . . . 186 GLY C . 19558 1 1099 . 1 1 186 186 GLY CA C 13 45.483 0.30 . 1 . . . . 186 GLY CA . 19558 1 1100 . 1 1 186 186 GLY N N 15 104.991 0.30 . 1 . . . . 186 GLY N . 19558 1 1101 . 1 1 187 187 TYR H H 1 7.740 0.02 . 1 . . . . 187 TYR H . 19558 1 1102 . 1 1 187 187 TYR C C 13 175.870 0.30 . 1 . . . . 187 TYR C . 19558 1 1103 . 1 1 187 187 TYR CA C 13 59.919 0.30 . 1 . . . . 187 TYR CA . 19558 1 1104 . 1 1 187 187 TYR CB C 13 36.907 0.30 . 1 . . . . 187 TYR CB . 19558 1 1105 . 1 1 187 187 TYR N N 15 118.374 0.30 . 1 . . . . 187 TYR N . 19558 1 1106 . 1 1 188 188 VAL H H 1 9.397 0.02 . 1 . . . . 188 VAL H . 19558 1 1107 . 1 1 188 188 VAL HG11 H 1 0.757 0.02 . 2 . . . . 188 VAL HG1 . 19558 1 1108 . 1 1 188 188 VAL HG12 H 1 0.757 0.02 . 2 . . . . 188 VAL HG1 . 19558 1 1109 . 1 1 188 188 VAL HG13 H 1 0.757 0.02 . 2 . . . . 188 VAL HG1 . 19558 1 1110 . 1 1 188 188 VAL HG21 H 1 0.819 0.02 . 2 . . . . 188 VAL HG2 . 19558 1 1111 . 1 1 188 188 VAL HG22 H 1 0.819 0.02 . 2 . . . . 188 VAL HG2 . 19558 1 1112 . 1 1 188 188 VAL HG23 H 1 0.819 0.02 . 2 . . . . 188 VAL HG2 . 19558 1 1113 . 1 1 188 188 VAL C C 13 176.487 0.30 . 1 . . . . 188 VAL C . 19558 1 1114 . 1 1 188 188 VAL CA C 13 60.587 0.30 . 1 . . . . 188 VAL CA . 19558 1 1115 . 1 1 188 188 VAL CB C 13 33.591 0.30 . 1 . . . . 188 VAL CB . 19558 1 1116 . 1 1 188 188 VAL CG1 C 13 21.142 0.30 . 1 . . . . 188 VAL CG1 . 19558 1 1117 . 1 1 188 188 VAL CG2 C 13 21.132 0.30 . 1 . . . . 188 VAL CG2 . 19558 1 1118 . 1 1 188 188 VAL N N 15 120.766 0.30 . 1 . . . . 188 VAL N . 19558 1 1119 . 1 1 189 189 ASP H H 1 8.771 0.02 . 1 . . . . 189 ASP H . 19558 1 1120 . 1 1 189 189 ASP C C 13 177.397 0.30 . 1 . . . . 189 ASP C . 19558 1 1121 . 1 1 189 189 ASP CA C 13 51.915 0.30 . 1 . . . . 189 ASP CA . 19558 1 1122 . 1 1 189 189 ASP CB C 13 39.944 0.30 . 1 . . . . 189 ASP CB . 19558 1 1123 . 1 1 189 189 ASP N N 15 128.632 0.30 . 1 . . . . 189 ASP N . 19558 1 1124 . 1 1 190 190 ALA H H 1 8.845 0.02 . 1 . . . . 190 ALA H . 19558 1 1125 . 1 1 190 190 ALA C C 13 179.070 0.30 . 1 . . . . 190 ALA C . 19558 1 1126 . 1 1 190 190 ALA CA C 13 56.150 0.30 . 1 . . . . 190 ALA CA . 19558 1 1127 . 1 1 190 190 ALA CB C 13 19.025 0.30 . 1 . . . . 190 ALA CB . 19558 1 1128 . 1 1 190 190 ALA N N 15 130.814 0.30 . 1 . . . . 190 ALA N . 19558 1 1129 . 1 1 191 191 LEU H H 1 7.569 0.02 . 1 . . . . 191 LEU H . 19558 1 1130 . 1 1 191 191 LEU HD11 H 1 0.645 0.02 . 2 . . . . 191 LEU HD1 . 19558 1 1131 . 1 1 191 191 LEU HD12 H 1 0.645 0.02 . 2 . . . . 191 LEU HD1 . 19558 1 1132 . 1 1 191 191 LEU HD13 H 1 0.645 0.02 . 2 . . . . 191 LEU HD1 . 19558 1 1133 . 1 1 191 191 LEU HD21 H 1 0.599 0.02 . 2 . . . . 191 LEU HD2 . 19558 1 1134 . 1 1 191 191 LEU HD22 H 1 0.599 0.02 . 2 . . . . 191 LEU HD2 . 19558 1 1135 . 1 1 191 191 LEU HD23 H 1 0.599 0.02 . 2 . . . . 191 LEU HD2 . 19558 1 1136 . 1 1 191 191 LEU C C 13 179.121 0.30 . 1 . . . . 191 LEU C . 19558 1 1137 . 1 1 191 191 LEU CA C 13 58.101 0.30 . 1 . . . . 191 LEU CA . 19558 1 1138 . 1 1 191 191 LEU CB C 13 40.836 0.30 . 1 . . . . 191 LEU CB . 19558 1 1139 . 1 1 191 191 LEU CD1 C 13 26.379 0.30 . 1 . . . . 191 LEU CD1 . 19558 1 1140 . 1 1 191 191 LEU CD2 C 13 24.421 0.30 . 1 . . . . 191 LEU CD2 . 19558 1 1141 . 1 1 191 191 LEU N N 15 113.489 0.30 . 1 . . . . 191 LEU N . 19558 1 1142 . 1 1 192 192 ARG H H 1 6.816 0.02 . 1 . . . . 192 ARG H . 19558 1 1143 . 1 1 192 192 ARG C C 13 177.901 0.30 . 1 . . . . 192 ARG C . 19558 1 1144 . 1 1 192 192 ARG CA C 13 54.359 0.30 . 1 . . . . 192 ARG CA . 19558 1 1145 . 1 1 192 192 ARG CB C 13 27.863 0.30 . 1 . . . . 192 ARG CB . 19558 1 1146 . 1 1 192 192 ARG N N 15 116.458 0.30 . 1 . . . . 192 ARG N . 19558 1 1147 . 1 1 193 193 GLU H H 1 7.739 0.02 . 1 . . . . 193 GLU H . 19558 1 1148 . 1 1 193 193 GLU C C 13 178.342 0.30 . 1 . . . . 193 GLU C . 19558 1 1149 . 1 1 193 193 GLU CA C 13 56.898 0.30 . 1 . . . . 193 GLU CA . 19558 1 1150 . 1 1 193 193 GLU CB C 13 27.983 0.30 . 1 . . . . 193 GLU CB . 19558 1 1151 . 1 1 193 193 GLU N N 15 120.978 0.30 . 1 . . . . 193 GLU N . 19558 1 1152 . 1 1 194 194 VAL H H 1 6.871 0.02 . 1 . . . . 194 VAL H . 19558 1 1153 . 1 1 194 194 VAL HG11 H 1 0.668 0.02 . 2 . . . . 194 VAL HG1 . 19558 1 1154 . 1 1 194 194 VAL HG12 H 1 0.668 0.02 . 2 . . . . 194 VAL HG1 . 19558 1 1155 . 1 1 194 194 VAL HG13 H 1 0.668 0.02 . 2 . . . . 194 VAL HG1 . 19558 1 1156 . 1 1 194 194 VAL HG21 H 1 0.780 0.02 . 2 . . . . 194 VAL HG2 . 19558 1 1157 . 1 1 194 194 VAL HG22 H 1 0.780 0.02 . 2 . . . . 194 VAL HG2 . 19558 1 1158 . 1 1 194 194 VAL HG23 H 1 0.780 0.02 . 2 . . . . 194 VAL HG2 . 19558 1 1159 . 1 1 194 194 VAL C C 13 177.072 0.30 . 1 . . . . 194 VAL C . 19558 1 1160 . 1 1 194 194 VAL CA C 13 60.280 0.30 . 1 . . . . 194 VAL CA . 19558 1 1161 . 1 1 194 194 VAL CB C 13 32.057 0.30 . 1 . . . . 194 VAL CB . 19558 1 1162 . 1 1 194 194 VAL CG1 C 13 22.063 0.30 . 1 . . . . 194 VAL CG1 . 19558 1 1163 . 1 1 194 194 VAL CG2 C 13 19.173 0.30 . 1 . . . . 194 VAL CG2 . 19558 1 1164 . 1 1 194 194 VAL N N 15 108.359 0.30 . 1 . . . . 194 VAL N . 19558 1 1165 . 1 1 195 195 SER H H 1 8.327 0.02 . 1 . . . . 195 SER H . 19558 1 1166 . 1 1 195 195 SER C C 13 175.429 0.30 . 1 . . . . 195 SER C . 19558 1 1167 . 1 1 195 195 SER CA C 13 57.014 0.30 . 1 . . . . 195 SER CA . 19558 1 1168 . 1 1 195 195 SER CB C 13 63.127 0.30 . 1 . . . . 195 SER CB . 19558 1 1169 . 1 1 195 195 SER N N 15 118.306 0.30 . 1 . . . . 195 SER N . 19558 1 1170 . 1 1 196 196 ARG H H 1 8.946 0.02 . 1 . . . . 196 ARG H . 19558 1 1171 . 1 1 196 196 ARG C C 13 176.257 0.30 . 1 . . . . 196 ARG C . 19558 1 1172 . 1 1 196 196 ARG CA C 13 54.546 0.30 . 1 . . . . 196 ARG CA . 19558 1 1173 . 1 1 196 196 ARG CB C 13 28.369 0.30 . 1 . . . . 196 ARG CB . 19558 1 1174 . 1 1 196 196 ARG N N 15 129.747 0.30 . 1 . . . . 196 ARG N . 19558 1 1175 . 1 1 197 197 GLU H H 1 7.477 0.02 . 1 . . . . 197 GLU H . 19558 1 1176 . 1 1 197 197 GLU C C 13 178.608 0.30 . 1 . . . . 197 GLU C . 19558 1 1177 . 1 1 197 197 GLU CA C 13 55.909 0.30 . 1 . . . . 197 GLU CA . 19558 1 1178 . 1 1 197 197 GLU CB C 13 30.082 0.30 . 1 . . . . 197 GLU CB . 19558 1 1179 . 1 1 197 197 GLU N N 15 119.403 0.30 . 1 . . . . 197 GLU N . 19558 1 1180 . 1 1 198 198 GLY H H 1 8.421 0.02 . 1 . . . . 198 GLY H . 19558 1 1181 . 1 1 198 198 GLY C C 13 173.496 0.30 . 1 . . . . 198 GLY C . 19558 1 1182 . 1 1 198 198 GLY CA C 13 43.505 0.30 . 1 . . . . 198 GLY CA . 19558 1 1183 . 1 1 198 198 GLY N N 15 110.502 0.30 . 1 . . . . 198 GLY N . 19558 1 1184 . 1 1 199 199 ASP H H 1 8.260 0.02 . 1 . . . . 199 ASP H . 19558 1 1185 . 1 1 199 199 ASP C C 13 175.050 0.30 . 1 . . . . 199 ASP C . 19558 1 1186 . 1 1 199 199 ASP CA C 13 54.572 0.30 . 1 . . . . 199 ASP CA . 19558 1 1187 . 1 1 199 199 ASP CB C 13 39.363 0.30 . 1 . . . . 199 ASP CB . 19558 1 1188 . 1 1 199 199 ASP N N 15 114.405 0.30 . 1 . . . . 199 ASP N . 19558 1 1189 . 1 1 200 200 GLN H H 1 7.172 0.02 . 1 . . . . 200 GLN H . 19558 1 1190 . 1 1 200 200 GLN C C 13 173.936 0.30 . 1 . . . . 200 GLN C . 19558 1 1191 . 1 1 200 200 GLN CA C 13 53.971 0.30 . 1 . . . . 200 GLN CA . 19558 1 1192 . 1 1 200 200 GLN CB C 13 29.368 0.30 . 1 . . . . 200 GLN CB . 19558 1 1193 . 1 1 200 200 GLN N N 15 117.435 0.30 . 1 . . . . 200 GLN N . 19558 1 1194 . 1 1 201 201 TYR H H 1 7.756 0.02 . 1 . . . . 201 TYR H . 19558 1 1195 . 1 1 201 201 TYR C C 13 172.964 0.30 . 1 . . . . 201 TYR C . 19558 1 1196 . 1 1 201 201 TYR CA C 13 53.343 0.30 . 1 . . . . 201 TYR CA . 19558 1 1197 . 1 1 201 201 TYR CB C 13 39.395 0.30 . 1 . . . . 201 TYR CB . 19558 1 1198 . 1 1 201 201 TYR N N 15 123.703 0.30 . 1 . . . . 201 TYR N . 19558 1 1199 . 1 1 202 202 SER H H 1 8.604 0.02 . 1 . . . . 202 SER H . 19558 1 1200 . 1 1 202 202 SER C C 13 171.536 0.30 . 1 . . . . 202 SER C . 19558 1 1201 . 1 1 202 202 SER CA C 13 57.112 0.30 . 1 . . . . 202 SER CA . 19558 1 1202 . 1 1 202 202 SER CB C 13 66.963 0.30 . 1 . . . . 202 SER CB . 19558 1 1203 . 1 1 202 202 SER N N 15 115.396 0.30 . 1 . . . . 202 SER N . 19558 1 1204 . 1 1 203 203 TRP H H 1 7.282 0.02 . 1 . . . . 203 TRP H . 19558 1 1205 . 1 1 203 203 TRP C C 13 173.750 0.30 . 1 . . . . 203 TRP C . 19558 1 1206 . 1 1 203 203 TRP CA C 13 57.807 0.30 . 1 . . . . 203 TRP CA . 19558 1 1207 . 1 1 203 203 TRP CB C 13 31.499 0.30 . 1 . . . . 203 TRP CB . 19558 1 1208 . 1 1 203 203 TRP N N 15 125.703 0.30 . 1 . . . . 203 TRP N . 19558 1 1209 . 1 1 204 204 TRP H H 1 6.688 0.02 . 1 . . . . 204 TRP H . 19558 1 1210 . 1 1 204 204 TRP C C 13 173.076 0.30 . 1 . . . . 204 TRP C . 19558 1 1211 . 1 1 204 204 TRP CA C 13 55.241 0.30 . 1 . . . . 204 TRP CA . 19558 1 1212 . 1 1 204 204 TRP CB C 13 31.306 0.30 . 1 . . . . 204 TRP CB . 19558 1 1213 . 1 1 204 204 TRP N N 15 126.670 0.30 . 1 . . . . 204 TRP N . 19558 1 1214 . 1 1 205 205 PRO C C 13 176.413 0.30 . 1 . . . . 205 PRO C . 19558 1 1215 . 1 1 205 205 PRO CA C 13 61.229 0.30 . 1 . . . . 205 PRO CA . 19558 1 1216 . 1 1 205 205 PRO CB C 13 30.939 0.30 . 1 . . . . 205 PRO CB . 19558 1 1217 . 1 1 206 206 ASP H H 1 8.126 0.02 . 1 . . . . 206 ASP H . 19558 1 1218 . 1 1 206 206 ASP C C 13 175.749 0.30 . 1 . . . . 206 ASP C . 19558 1 1219 . 1 1 206 206 ASP CA C 13 52.273 0.30 . 1 . . . . 206 ASP CA . 19558 1 1220 . 1 1 206 206 ASP CB C 13 38.218 0.30 . 1 . . . . 206 ASP CB . 19558 1 1221 . 1 1 206 206 ASP N N 15 122.072 0.30 . 1 . . . . 206 ASP N . 19558 1 1222 . 1 1 207 207 ASN H H 1 7.783 0.02 . 1 . . . . 207 ASN H . 19558 1 1223 . 1 1 207 207 ASN C C 13 175.488 0.30 . 1 . . . . 207 ASN C . 19558 1 1224 . 1 1 207 207 ASN CA C 13 52.447 0.30 . 1 . . . . 207 ASN CA . 19558 1 1225 . 1 1 207 207 ASN CB C 13 39.053 0.30 . 1 . . . . 207 ASN CB . 19558 1 1226 . 1 1 207 207 ASN N N 15 119.945 0.30 . 1 . . . . 207 ASN N . 19558 1 1227 . 1 1 208 208 GLU H H 1 8.727 0.02 . 1 . . . . 208 GLU H . 19558 1 1228 . 1 1 208 208 GLU C C 13 179.144 0.30 . 1 . . . . 208 GLU C . 19558 1 1229 . 1 1 208 208 GLU CA C 13 58.556 0.30 . 1 . . . . 208 GLU CA . 19558 1 1230 . 1 1 208 208 GLU CB C 13 28.611 0.30 . 1 . . . . 208 GLU CB . 19558 1 1231 . 1 1 208 208 GLU N N 15 124.024 0.30 . 1 . . . . 208 GLU N . 19558 1 1232 . 1 1 209 209 GLN H H 1 8.214 0.02 . 1 . . . . 209 GLN H . 19558 1 1233 . 1 1 209 209 GLN C C 13 178.275 0.30 . 1 . . . . 209 GLN C . 19558 1 1234 . 1 1 209 209 GLN CA C 13 58.395 0.30 . 1 . . . . 209 GLN CA . 19558 1 1235 . 1 1 209 209 GLN CB C 13 27.161 0.30 . 1 . . . . 209 GLN CB . 19558 1 1236 . 1 1 209 209 GLN N N 15 121.587 0.30 . 1 . . . . 209 GLN N . 19558 1 1237 . 1 1 210 210 ALA H H 1 8.105 0.02 . 1 . . . . 210 ALA H . 19558 1 1238 . 1 1 210 210 ALA C C 13 180.795 0.30 . 1 . . . . 210 ALA C . 19558 1 1239 . 1 1 210 210 ALA CA C 13 54.143 0.30 . 1 . . . . 210 ALA CA . 19558 1 1240 . 1 1 210 210 ALA CB C 13 17.424 0.30 . 1 . . . . 210 ALA CB . 19558 1 1241 . 1 1 210 210 ALA N N 15 121.920 0.30 . 1 . . . . 210 ALA N . 19558 1 1242 . 1 1 211 211 GLU H H 1 7.262 0.02 . 1 . . . . 211 GLU H . 19558 1 1243 . 1 1 211 211 GLU C C 13 180.072 0.30 . 1 . . . . 211 GLU C . 19558 1 1244 . 1 1 211 211 GLU CA C 13 57.740 0.30 . 1 . . . . 211 GLU CA . 19558 1 1245 . 1 1 211 211 GLU CB C 13 28.034 0.30 . 1 . . . . 211 GLU CB . 19558 1 1246 . 1 1 211 211 GLU N N 15 117.526 0.30 . 1 . . . . 211 GLU N . 19558 1 1247 . 1 1 212 212 MET H H 1 8.110 0.02 . 1 . . . . 212 MET H . 19558 1 1248 . 1 1 212 212 MET C C 13 179.213 0.30 . 1 . . . . 212 MET C . 19558 1 1249 . 1 1 212 212 MET CA C 13 57.847 0.30 . 1 . . . . 212 MET CA . 19558 1 1250 . 1 1 212 212 MET CB C 13 31.542 0.30 . 1 . . . . 212 MET CB . 19558 1 1251 . 1 1 212 212 MET N N 15 121.031 0.30 . 1 . . . . 212 MET N . 19558 1 1252 . 1 1 213 213 LEU H H 1 7.947 0.02 . 1 . . . . 213 LEU H . 19558 1 1253 . 1 1 213 213 LEU HD11 H 1 0.766 0.02 . 2 . . . . 213 LEU HD1 . 19558 1 1254 . 1 1 213 213 LEU HD12 H 1 0.766 0.02 . 2 . . . . 213 LEU HD1 . 19558 1 1255 . 1 1 213 213 LEU HD13 H 1 0.766 0.02 . 2 . . . . 213 LEU HD1 . 19558 1 1256 . 1 1 213 213 LEU HD21 H 1 0.731 0.02 . 2 . . . . 213 LEU HD2 . 19558 1 1257 . 1 1 213 213 LEU HD22 H 1 0.731 0.02 . 2 . . . . 213 LEU HD2 . 19558 1 1258 . 1 1 213 213 LEU HD23 H 1 0.731 0.02 . 2 . . . . 213 LEU HD2 . 19558 1 1259 . 1 1 213 213 LEU C C 13 177.038 0.30 . 1 . . . . 213 LEU C . 19558 1 1260 . 1 1 213 213 LEU CA C 13 53.877 0.30 . 1 . . . . 213 LEU CA . 19558 1 1261 . 1 1 213 213 LEU CB C 13 40.214 0.30 . 1 . . . . 213 LEU CB . 19558 1 1262 . 1 1 213 213 LEU CD1 C 13 25.035 0.30 . 1 . . . . 213 LEU CD1 . 19558 1 1263 . 1 1 213 213 LEU CD2 C 13 21.947 0.30 . 1 . . . . 213 LEU CD2 . 19558 1 1264 . 1 1 213 213 LEU N N 15 118.310 0.30 . 1 . . . . 213 LEU N . 19558 1 1265 . 1 1 214 214 ASN H H 1 7.485 0.02 . 1 . . . . 214 ASN H . 19558 1 1266 . 1 1 214 214 ASN C C 13 175.305 0.30 . 1 . . . . 214 ASN C . 19558 1 1267 . 1 1 214 214 ASN CA C 13 52.875 0.30 . 1 . . . . 214 ASN CA . 19558 1 1268 . 1 1 214 214 ASN CB C 13 35.716 0.30 . 1 . . . . 214 ASN CB . 19558 1 1269 . 1 1 214 214 ASN N N 15 119.859 0.30 . 1 . . . . 214 ASN N . 19558 1 1270 . 1 1 215 215 LEU H H 1 8.555 0.02 . 1 . . . . 215 LEU H . 19558 1 1271 . 1 1 215 215 LEU HD21 H 1 0.599 0.02 . 2 . . . . 215 LEU HD2 . 19558 1 1272 . 1 1 215 215 LEU HD22 H 1 0.599 0.02 . 2 . . . . 215 LEU HD2 . 19558 1 1273 . 1 1 215 215 LEU HD23 H 1 0.599 0.02 . 2 . . . . 215 LEU HD2 . 19558 1 1274 . 1 1 215 215 LEU C C 13 172.701 0.30 . 1 . . . . 215 LEU C . 19558 1 1275 . 1 1 215 215 LEU CA C 13 52.270 0.30 . 1 . . . . 215 LEU CA . 19558 1 1276 . 1 1 215 215 LEU CB C 13 37.415 0.30 . 1 . . . . 215 LEU CB . 19558 1 1277 . 1 1 215 215 LEU CD2 C 13 22.603 0.30 . 1 . . . . 215 LEU CD2 . 19558 1 1278 . 1 1 215 215 LEU N N 15 120.208 0.30 . 1 . . . . 215 LEU N . 19558 1 1279 . 1 1 217 217 TRP C C 13 177.668 0.30 . 1 . . . . 217 TRP C . 19558 1 1280 . 1 1 217 217 TRP CA C 13 54.720 0.30 . 1 . . . . 217 TRP CA . 19558 1 1281 . 1 1 218 218 ARG H H 1 9.648 0.02 . 1 . . . . 218 ARG H . 19558 1 1282 . 1 1 218 218 ARG C C 13 172.438 0.30 . 1 . . . . 218 ARG C . 19558 1 1283 . 1 1 218 218 ARG CA C 13 57.433 0.30 . 1 . . . . 218 ARG CA . 19558 1 1284 . 1 1 218 218 ARG CB C 13 28.659 0.30 . 1 . . . . 218 ARG CB . 19558 1 1285 . 1 1 218 218 ARG N N 15 128.729 0.30 . 1 . . . . 218 ARG N . 19558 1 1286 . 1 1 219 219 PHE H H 1 7.650 0.02 . 1 . . . . 219 PHE H . 19558 1 1287 . 1 1 219 219 PHE C C 13 174.636 0.30 . 1 . . . . 219 PHE C . 19558 1 1288 . 1 1 219 219 PHE CA C 13 51.568 0.30 . 1 . . . . 219 PHE CA . 19558 1 1289 . 1 1 219 219 PHE CB C 13 42.484 0.30 . 1 . . . . 219 PHE CB . 19558 1 1290 . 1 1 219 219 PHE N N 15 126.409 0.30 . 1 . . . . 219 PHE N . 19558 1 1291 . 1 1 220 220 ASP H H 1 7.056 0.02 . 1 . . . . 220 ASP H . 19558 1 1292 . 1 1 220 220 ASP C C 13 174.622 0.30 . 1 . . . . 220 ASP C . 19558 1 1293 . 1 1 220 220 ASP CA C 13 53.396 0.30 . 1 . . . . 220 ASP CA . 19558 1 1294 . 1 1 220 220 ASP CB C 13 42.506 0.30 . 1 . . . . 220 ASP CB . 19558 1 1295 . 1 1 220 220 ASP N N 15 122.104 0.30 . 1 . . . . 220 ASP N . 19558 1 1296 . 1 1 221 221 TYR H H 1 8.980 0.02 . 1 . . . . 221 TYR H . 19558 1 1297 . 1 1 221 221 TYR C C 13 177.041 0.30 . 1 . . . . 221 TYR C . 19558 1 1298 . 1 1 221 221 TYR CA C 13 57.660 0.30 . 1 . . . . 221 TYR CA . 19558 1 1299 . 1 1 221 221 TYR CB C 13 43.462 0.30 . 1 . . . . 221 TYR CB . 19558 1 1300 . 1 1 221 221 TYR N N 15 120.512 0.30 . 1 . . . . 221 TYR N . 19558 1 1301 . 1 1 222 222 GLN H H 1 8.612 0.02 . 1 . . . . 222 GLN H . 19558 1 1302 . 1 1 222 222 GLN C C 13 174.765 0.30 . 1 . . . . 222 GLN C . 19558 1 1303 . 1 1 222 222 GLN CA C 13 56.764 0.30 . 1 . . . . 222 GLN CA . 19558 1 1304 . 1 1 222 222 GLN CB C 13 27.347 0.30 . 1 . . . . 222 GLN CB . 19558 1 1305 . 1 1 222 222 GLN N N 15 123.176 0.30 . 1 . . . . 222 GLN N . 19558 1 1306 . 1 1 223 223 LEU H H 1 9.148 0.02 . 1 . . . . 223 LEU H . 19558 1 1307 . 1 1 223 223 LEU HD11 H 1 0.366 0.02 . 2 . . . . 223 LEU HD1 . 19558 1 1308 . 1 1 223 223 LEU HD12 H 1 0.366 0.02 . 2 . . . . 223 LEU HD1 . 19558 1 1309 . 1 1 223 223 LEU HD13 H 1 0.366 0.02 . 2 . . . . 223 LEU HD1 . 19558 1 1310 . 1 1 223 223 LEU HD21 H 1 0.508 0.02 . 2 . . . . 223 LEU HD2 . 19558 1 1311 . 1 1 223 223 LEU HD22 H 1 0.508 0.02 . 2 . . . . 223 LEU HD2 . 19558 1 1312 . 1 1 223 223 LEU HD23 H 1 0.508 0.02 . 2 . . . . 223 LEU HD2 . 19558 1 1313 . 1 1 223 223 LEU C C 13 176.556 0.30 . 1 . . . . 223 LEU C . 19558 1 1314 . 1 1 223 223 LEU CA C 13 52.060 0.30 . 1 . . . . 223 LEU CA . 19558 1 1315 . 1 1 223 223 LEU CB C 13 43.159 0.30 . 1 . . . . 223 LEU CB . 19558 1 1316 . 1 1 223 223 LEU CD1 C 13 24.232 0.30 . 1 . . . . 223 LEU CD1 . 19558 1 1317 . 1 1 223 223 LEU CD2 C 13 22.405 0.30 . 1 . . . . 223 LEU CD2 . 19558 1 1318 . 1 1 223 223 LEU N N 15 125.949 0.30 . 1 . . . . 223 LEU N . 19558 1 1319 . 1 1 224 224 LEU H H 1 9.770 0.02 . 1 . . . . 224 LEU H . 19558 1 1320 . 1 1 224 224 LEU HD11 H 1 0.828 0.02 . 2 . . . . 224 LEU HD1 . 19558 1 1321 . 1 1 224 224 LEU HD12 H 1 0.828 0.02 . 2 . . . . 224 LEU HD1 . 19558 1 1322 . 1 1 224 224 LEU HD13 H 1 0.828 0.02 . 2 . . . . 224 LEU HD1 . 19558 1 1323 . 1 1 224 224 LEU HD21 H 1 1.034 0.02 . 2 . . . . 224 LEU HD2 . 19558 1 1324 . 1 1 224 224 LEU HD22 H 1 1.034 0.02 . 2 . . . . 224 LEU HD2 . 19558 1 1325 . 1 1 224 224 LEU HD23 H 1 1.034 0.02 . 2 . . . . 224 LEU HD2 . 19558 1 1326 . 1 1 224 224 LEU C C 13 179.897 0.30 . 1 . . . . 224 LEU C . 19558 1 1327 . 1 1 224 224 LEU CA C 13 51.819 0.30 . 1 . . . . 224 LEU CA . 19558 1 1328 . 1 1 224 224 LEU CB C 13 43.472 0.30 . 1 . . . . 224 LEU CB . 19558 1 1329 . 1 1 224 224 LEU CD1 C 13 25.880 0.30 . 1 . . . . 224 LEU CD1 . 19558 1 1330 . 1 1 224 224 LEU CD2 C 13 25.744 0.30 . 1 . . . . 224 LEU CD2 . 19558 1 1331 . 1 1 224 224 LEU N N 15 122.541 0.30 . 1 . . . . 224 LEU N . 19558 1 1332 . 1 1 225 225 THR H H 1 8.438 0.02 . 1 . . . . 225 THR H . 19558 1 1333 . 1 1 225 225 THR C C 13 175.710 0.30 . 1 . . . . 225 THR C . 19558 1 1334 . 1 1 225 225 THR CA C 13 59.865 0.30 . 1 . . . . 225 THR CA . 19558 1 1335 . 1 1 225 225 THR CB C 13 66.404 0.30 . 1 . . . . 225 THR CB . 19558 1 1336 . 1 1 225 225 THR N N 15 113.047 0.30 . 1 . . . . 225 THR N . 19558 1 1337 . 1 1 226 226 PRO C C 13 180.318 0.30 . 1 . . . . 226 PRO C . 19558 1 1338 . 1 1 226 226 PRO CA C 13 64.705 0.30 . 1 . . . . 226 PRO CA . 19558 1 1339 . 1 1 226 226 PRO CB C 13 29.858 0.30 . 1 . . . . 226 PRO CB . 19558 1 1340 . 1 1 227 227 GLY H H 1 8.555 0.02 . 1 . . . . 227 GLY H . 19558 1 1341 . 1 1 227 227 GLY C C 13 176.556 0.30 . 1 . . . . 227 GLY C . 19558 1 1342 . 1 1 227 227 GLY CA C 13 45.751 0.30 . 1 . . . . 227 GLY CA . 19558 1 1343 . 1 1 227 227 GLY N N 15 110.048 0.30 . 1 . . . . 227 GLY N . 19558 1 1344 . 1 1 228 228 LEU H H 1 7.591 0.02 . 1 . . . . 228 LEU H . 19558 1 1345 . 1 1 228 228 LEU HD11 H 1 0.409 0.02 . 2 . . . . 228 LEU HD1 . 19558 1 1346 . 1 1 228 228 LEU HD12 H 1 0.409 0.02 . 2 . . . . 228 LEU HD1 . 19558 1 1347 . 1 1 228 228 LEU HD13 H 1 0.409 0.02 . 2 . . . . 228 LEU HD1 . 19558 1 1348 . 1 1 228 228 LEU HD21 H 1 -0.070 0.02 . 2 . . . . 228 LEU HD2 . 19558 1 1349 . 1 1 228 228 LEU HD22 H 1 -0.070 0.02 . 2 . . . . 228 LEU HD2 . 19558 1 1350 . 1 1 228 228 LEU HD23 H 1 -0.070 0.02 . 2 . . . . 228 LEU HD2 . 19558 1 1351 . 1 1 228 228 LEU C C 13 179.678 0.30 . 1 . . . . 228 LEU C . 19558 1 1352 . 1 1 228 228 LEU CA C 13 53.797 0.30 . 1 . . . . 228 LEU CA . 19558 1 1353 . 1 1 228 228 LEU CB C 13 43.017 0.30 . 1 . . . . 228 LEU CB . 19558 1 1354 . 1 1 228 228 LEU CD1 C 13 27.263 0.30 . 1 . . . . 228 LEU CD1 . 19558 1 1355 . 1 1 228 228 LEU CD2 C 13 22.121 0.30 . 1 . . . . 228 LEU CD2 . 19558 1 1356 . 1 1 228 228 LEU N N 15 119.524 0.30 . 1 . . . . 228 LEU N . 19558 1 1357 . 1 1 229 229 ARG H H 1 7.508 0.02 . 1 . . . . 229 ARG H . 19558 1 1358 . 1 1 229 229 ARG C C 13 178.150 0.30 . 1 . . . . 229 ARG C . 19558 1 1359 . 1 1 229 229 ARG CA C 13 59.865 0.30 . 1 . . . . 229 ARG CA . 19558 1 1360 . 1 1 229 229 ARG CB C 13 29.713 0.30 . 1 . . . . 229 ARG CB . 19558 1 1361 . 1 1 229 229 ARG N N 15 121.795 0.30 . 1 . . . . 229 ARG N . 19558 1 1362 . 1 1 230 230 ARG H H 1 8.100 0.02 . 1 . . . . 230 ARG H . 19558 1 1363 . 1 1 230 230 ARG C C 13 177.027 0.30 . 1 . . . . 230 ARG C . 19558 1 1364 . 1 1 230 230 ARG CA C 13 56.069 0.30 . 1 . . . . 230 ARG CA . 19558 1 1365 . 1 1 230 230 ARG CB C 13 27.576 0.30 . 1 . . . . 230 ARG CB . 19558 1 1366 . 1 1 230 230 ARG N N 15 115.997 0.30 . 1 . . . . 230 ARG N . 19558 1 1367 . 1 1 231 231 PHE H H 1 7.793 0.02 . 1 . . . . 231 PHE H . 19558 1 1368 . 1 1 231 231 PHE C C 13 176.986 0.30 . 1 . . . . 231 PHE C . 19558 1 1369 . 1 1 231 231 PHE CA C 13 56.895 0.30 . 1 . . . . 231 PHE CA . 19558 1 1370 . 1 1 231 231 PHE CB C 13 38.086 0.30 . 1 . . . . 231 PHE CB . 19558 1 1371 . 1 1 231 231 PHE N N 15 117.982 0.30 . 1 . . . . 231 PHE N . 19558 1 1372 . 1 1 232 232 VAL H H 1 7.163 0.02 . 1 . . . . 232 VAL H . 19558 1 1373 . 1 1 232 232 VAL HG11 H 1 0.678 0.02 . 2 . . . . 232 VAL HG1 . 19558 1 1374 . 1 1 232 232 VAL HG12 H 1 0.678 0.02 . 2 . . . . 232 VAL HG1 . 19558 1 1375 . 1 1 232 232 VAL HG13 H 1 0.678 0.02 . 2 . . . . 232 VAL HG1 . 19558 1 1376 . 1 1 232 232 VAL HG21 H 1 0.942 0.02 . 2 . . . . 232 VAL HG2 . 19558 1 1377 . 1 1 232 232 VAL HG22 H 1 0.942 0.02 . 2 . . . . 232 VAL HG2 . 19558 1 1378 . 1 1 232 232 VAL HG23 H 1 0.942 0.02 . 2 . . . . 232 VAL HG2 . 19558 1 1379 . 1 1 232 232 VAL C C 13 176.035 0.30 . 1 . . . . 232 VAL C . 19558 1 1380 . 1 1 232 232 VAL CA C 13 64.223 0.30 . 1 . . . . 232 VAL CA . 19558 1 1381 . 1 1 232 232 VAL CB C 13 30.379 0.30 . 1 . . . . 232 VAL CB . 19558 1 1382 . 1 1 232 232 VAL CG1 C 13 21.124 0.30 . 1 . . . . 232 VAL CG1 . 19558 1 1383 . 1 1 232 232 VAL CG2 C 13 22.431 0.30 . 1 . . . . 232 VAL CG2 . 19558 1 1384 . 1 1 232 232 VAL N N 15 122.172 0.30 . 1 . . . . 232 VAL N . 19558 1 1385 . 1 1 233 233 ARG H H 1 8.858 0.02 . 1 . . . . 233 ARG H . 19558 1 1386 . 1 1 233 233 ARG C C 13 176.986 0.30 . 1 . . . . 233 ARG C . 19558 1 1387 . 1 1 233 233 ARG CA C 13 55.428 0.30 . 1 . . . . 233 ARG CA . 19558 1 1388 . 1 1 233 233 ARG CB C 13 30.761 0.30 . 1 . . . . 233 ARG CB . 19558 1 1389 . 1 1 233 233 ARG N N 15 128.638 0.30 . 1 . . . . 233 ARG N . 19558 1 1390 . 1 1 234 234 SER H H 1 7.536 0.02 . 1 . . . . 234 SER H . 19558 1 1391 . 1 1 234 234 SER C C 13 172.092 0.30 . 1 . . . . 234 SER C . 19558 1 1392 . 1 1 234 234 SER CA C 13 56.791 0.30 . 1 . . . . 234 SER CA . 19558 1 1393 . 1 1 234 234 SER CB C 13 63.947 0.30 . 1 . . . . 234 SER CB . 19558 1 1394 . 1 1 234 234 SER N N 15 112.530 0.30 . 1 . . . . 234 SER N . 19558 1 1395 . 1 1 235 235 ALA H H 1 8.389 0.02 . 1 . . . . 235 ALA H . 19558 1 1396 . 1 1 235 235 ALA C C 13 175.655 0.30 . 1 . . . . 235 ALA C . 19558 1 1397 . 1 1 235 235 ALA CA C 13 50.803 0.30 . 1 . . . . 235 ALA CA . 19558 1 1398 . 1 1 235 235 ALA CB C 13 21.715 0.30 . 1 . . . . 235 ALA CB . 19558 1 1399 . 1 1 235 235 ALA N N 15 125.849 0.30 . 1 . . . . 235 ALA N . 19558 1 1400 . 1 1 236 236 ARG H H 1 8.879 0.02 . 1 . . . . 236 ARG H . 19558 1 1401 . 1 1 236 236 ARG C C 13 174.552 0.30 . 1 . . . . 236 ARG C . 19558 1 1402 . 1 1 236 236 ARG CA C 13 54.626 0.30 . 1 . . . . 236 ARG CA . 19558 1 1403 . 1 1 236 236 ARG CB C 13 33.842 0.30 . 1 . . . . 236 ARG CB . 19558 1 1404 . 1 1 236 236 ARG N N 15 121.571 0.30 . 1 . . . . 236 ARG N . 19558 1 1405 . 1 1 237 237 LEU H H 1 8.526 0.02 . 1 . . . . 237 LEU H . 19558 1 1406 . 1 1 237 237 LEU HD11 H 1 0.523 0.02 . 2 . . . . 237 LEU HD1 . 19558 1 1407 . 1 1 237 237 LEU HD12 H 1 0.523 0.02 . 2 . . . . 237 LEU HD1 . 19558 1 1408 . 1 1 237 237 LEU HD13 H 1 0.523 0.02 . 2 . . . . 237 LEU HD1 . 19558 1 1409 . 1 1 237 237 LEU HD21 H 1 0.808 0.02 . 2 . . . . 237 LEU HD2 . 19558 1 1410 . 1 1 237 237 LEU HD22 H 1 0.808 0.02 . 2 . . . . 237 LEU HD2 . 19558 1 1411 . 1 1 237 237 LEU HD23 H 1 0.808 0.02 . 2 . . . . 237 LEU HD2 . 19558 1 1412 . 1 1 237 237 LEU C C 13 174.502 0.30 . 1 . . . . 237 LEU C . 19558 1 1413 . 1 1 237 237 LEU CA C 13 50.960 0.30 . 1 . . . . 237 LEU CA . 19558 1 1414 . 1 1 237 237 LEU CB C 13 42.473 0.30 . 1 . . . . 237 LEU CB . 19558 1 1415 . 1 1 237 237 LEU CD1 C 13 26.234 0.30 . 1 . . . . 237 LEU CD1 . 19558 1 1416 . 1 1 237 237 LEU N N 15 125.903 0.30 . 1 . . . . 237 LEU N . 19558 1 1417 . 1 1 238 238 PRO C C 13 177.445 0.30 . 1 . . . . 238 PRO C . 19558 1 1418 . 1 1 238 238 PRO CA C 13 62.219 0.30 . 1 . . . . 238 PRO CA . 19558 1 1419 . 1 1 238 238 PRO CB C 13 30.743 0.30 . 1 . . . . 238 PRO CB . 19558 1 1420 . 1 1 239 239 ARG H H 1 8.225 0.02 . 1 . . . . 239 ARG H . 19558 1 1421 . 1 1 239 239 ARG C C 13 176.140 0.30 . 1 . . . . 239 ARG C . 19558 1 1422 . 1 1 239 239 ARG CA C 13 56.871 0.30 . 1 . . . . 239 ARG CA . 19558 1 1423 . 1 1 239 239 ARG CB C 13 30.038 0.30 . 1 . . . . 239 ARG CB . 19558 1 1424 . 1 1 239 239 ARG N N 15 121.311 0.30 . 1 . . . . 239 ARG N . 19558 1 1425 . 1 1 240 240 GLN H H 1 7.136 0.02 . 1 . . . . 240 GLN H . 19558 1 1426 . 1 1 240 240 GLN C C 13 173.970 0.30 . 1 . . . . 240 GLN C . 19558 1 1427 . 1 1 240 240 GLN CA C 13 51.859 0.30 . 1 . . . . 240 GLN CA . 19558 1 1428 . 1 1 240 240 GLN CB C 13 29.849 0.30 . 1 . . . . 240 GLN CB . 19558 1 1429 . 1 1 240 240 GLN N N 15 114.996 0.30 . 1 . . . . 240 GLN N . 19558 1 1430 . 1 1 241 241 PRO C C 13 174.127 0.30 . 1 . . . . 241 PRO C . 19558 1 1431 . 1 1 241 241 PRO CA C 13 61.550 0.30 . 1 . . . . 241 PRO CA . 19558 1 1432 . 1 1 241 241 PRO CB C 13 32.899 0.30 . 1 . . . . 241 PRO CB . 19558 1 1433 . 1 1 242 242 ARG H H 1 7.334 0.02 . 1 . . . . 242 ARG H . 19558 1 1434 . 1 1 242 242 ARG C C 13 175.786 0.30 . 1 . . . . 242 ARG C . 19558 1 1435 . 1 1 242 242 ARG CA C 13 54.105 0.30 . 1 . . . . 242 ARG CA . 19558 1 1436 . 1 1 242 242 ARG CB C 13 31.341 0.30 . 1 . . . . 242 ARG CB . 19558 1 1437 . 1 1 242 242 ARG N N 15 116.881 0.30 . 1 . . . . 242 ARG N . 19558 1 1438 . 1 1 243 243 PHE H H 1 8.789 0.02 . 1 . . . . 243 PHE H . 19558 1 1439 . 1 1 243 243 PHE C C 13 173.545 0.30 . 1 . . . . 243 PHE C . 19558 1 1440 . 1 1 243 243 PHE CA C 13 56.257 0.30 . 1 . . . . 243 PHE CA . 19558 1 1441 . 1 1 243 243 PHE CB C 13 39.656 0.30 . 1 . . . . 243 PHE CB . 19558 1 1442 . 1 1 243 243 PHE N N 15 122.472 0.30 . 1 . . . . 243 PHE N . 19558 1 1443 . 1 1 244 244 SER H H 1 7.604 0.02 . 1 . . . . 244 SER H . 19558 1 1444 . 1 1 244 244 SER C C 13 174.851 0.30 . 1 . . . . 244 SER C . 19558 1 1445 . 1 1 244 244 SER CA C 13 56.016 0.30 . 1 . . . . 244 SER CA . 19558 1 1446 . 1 1 244 244 SER CB C 13 62.211 0.30 . 1 . . . . 244 SER CB . 19558 1 1447 . 1 1 244 244 SER N N 15 114.130 0.30 . 1 . . . . 244 SER N . 19558 1 1448 . 1 1 245 245 GLN H H 1 8.631 0.02 . 1 . . . . 245 GLN H . 19558 1 1449 . 1 1 245 245 GLN C C 13 175.452 0.30 . 1 . . . . 245 GLN C . 19558 1 1450 . 1 1 245 245 GLN CA C 13 57.714 0.30 . 1 . . . . 245 GLN CA . 19558 1 1451 . 1 1 245 245 GLN CB C 13 28.951 0.30 . 1 . . . . 245 GLN CB . 19558 1 1452 . 1 1 245 245 GLN N N 15 118.753 0.30 . 1 . . . . 245 GLN N . 19558 1 1453 . 1 1 246 246 HIS H H 1 8.119 0.02 . 1 . . . . 246 HIS H . 19558 1 1454 . 1 1 246 246 HIS C C 13 176.154 0.30 . 1 . . . . 246 HIS C . 19558 1 1455 . 1 1 246 246 HIS CA C 13 53.115 0.30 . 1 . . . . 246 HIS CA . 19558 1 1456 . 1 1 246 246 HIS CB C 13 31.014 0.30 . 1 . . . . 246 HIS CB . 19558 1 1457 . 1 1 246 246 HIS N N 15 116.194 0.30 . 1 . . . . 246 HIS N . 19558 1 1458 . 1 1 247 247 ALA H H 1 8.659 0.02 . 1 . . . . 247 ALA H . 19558 1 1459 . 1 1 247 247 ALA C C 13 175.918 0.30 . 1 . . . . 247 ALA C . 19558 1 1460 . 1 1 247 247 ALA CA C 13 48.237 0.30 . 1 . . . . 247 ALA CA . 19558 1 1461 . 1 1 247 247 ALA CB C 13 19.162 0.30 . 1 . . . . 247 ALA CB . 19558 1 1462 . 1 1 247 247 ALA N N 15 125.753 0.30 . 1 . . . . 247 ALA N . 19558 1 1463 . 1 1 248 248 PRO C C 13 173.894 0.30 . 1 . . . . 248 PRO C . 19558 1 1464 . 1 1 248 248 PRO CA C 13 61.218 0.30 . 1 . . . . 248 PRO CA . 19558 1 1465 . 1 1 248 248 PRO CB C 13 32.115 0.30 . 1 . . . . 248 PRO CB . 19558 1 1466 . 1 1 249 249 LEU H H 1 8.867 0.02 . 1 . . . . 249 LEU H . 19558 1 1467 . 1 1 249 249 LEU HD21 H 1 0.822 0.02 . 2 . . . . 249 LEU HD2 . 19558 1 1468 . 1 1 249 249 LEU HD22 H 1 0.822 0.02 . 2 . . . . 249 LEU HD2 . 19558 1 1469 . 1 1 249 249 LEU HD23 H 1 0.822 0.02 . 2 . . . . 249 LEU HD2 . 19558 1 1470 . 1 1 249 249 LEU C C 13 176.327 0.30 . 1 . . . . 249 LEU C . 19558 1 1471 . 1 1 249 249 LEU CA C 13 52.434 0.30 . 1 . . . . 249 LEU CA . 19558 1 1472 . 1 1 249 249 LEU CB C 13 41.601 0.30 . 1 . . . . 249 LEU CB . 19558 1 1473 . 1 1 249 249 LEU CD2 C 13 27.801 0.30 . 1 . . . . 249 LEU CD2 . 19558 1 1474 . 1 1 249 249 LEU N N 15 122.242 0.30 . 1 . . . . 249 LEU N . 19558 1 1475 . 1 1 250 250 ILE H H 1 8.868 0.02 . 1 . . . . 250 ILE H . 19558 1 1476 . 1 1 250 250 ILE HD11 H 1 1.022 0.02 . 1 . . . . 250 ILE HD1 . 19558 1 1477 . 1 1 250 250 ILE HD12 H 1 1.022 0.02 . 1 . . . . 250 ILE HD1 . 19558 1 1478 . 1 1 250 250 ILE HD13 H 1 1.022 0.02 . 1 . . . . 250 ILE HD1 . 19558 1 1479 . 1 1 250 250 ILE C C 13 176.327 0.30 . 1 . . . . 250 ILE C . 19558 1 1480 . 1 1 250 250 ILE CA C 13 60.667 0.30 . 1 . . . . 250 ILE CA . 19558 1 1481 . 1 1 250 250 ILE CB C 13 39.132 0.30 . 1 . . . . 250 ILE CB . 19558 1 1482 . 1 1 250 250 ILE CD1 C 13 15.232 0.30 . 1 . . . . 250 ILE CD1 . 19558 1 1483 . 1 1 250 250 ILE N N 15 128.844 0.30 . 1 . . . . 250 ILE N . 19558 1 1484 . 1 1 251 251 VAL H H 1 8.638 0.02 . 1 . . . . 251 VAL H . 19558 1 1485 . 1 1 251 251 VAL HG11 H 1 0.389 0.02 . 2 . . . . 251 VAL HG1 . 19558 1 1486 . 1 1 251 251 VAL HG12 H 1 0.389 0.02 . 2 . . . . 251 VAL HG1 . 19558 1 1487 . 1 1 251 251 VAL HG13 H 1 0.389 0.02 . 2 . . . . 251 VAL HG1 . 19558 1 1488 . 1 1 251 251 VAL C C 13 173.949 0.30 . 1 . . . . 251 VAL C . 19558 1 1489 . 1 1 251 251 VAL CA C 13 60.482 0.30 . 1 . . . . 251 VAL CA . 19558 1 1490 . 1 1 251 251 VAL CB C 13 32.697 0.30 . 1 . . . . 251 VAL CB . 19558 1 1491 . 1 1 251 251 VAL CG1 C 13 21.021 0.30 . 1 . . . . 251 VAL CG1 . 19558 1 1492 . 1 1 251 251 VAL N N 15 130.149 0.30 . 1 . . . . 251 VAL N . 19558 1 1493 . 1 1 252 252 ASP H H 1 8.346 0.02 . 1 . . . . 252 ASP H . 19558 1 1494 . 1 1 252 252 ASP C C 13 175.785 0.30 . 1 . . . . 252 ASP C . 19558 1 1495 . 1 1 252 252 ASP CA C 13 52.861 0.30 . 1 . . . . 252 ASP CA . 19558 1 1496 . 1 1 252 252 ASP CB C 13 42.224 0.30 . 1 . . . . 252 ASP CB . 19558 1 1497 . 1 1 252 252 ASP N N 15 127.458 0.30 . 1 . . . . 252 ASP N . 19558 1 1498 . 1 1 253 253 TYR H H 1 9.392 0.02 . 1 . . . . 253 TYR H . 19558 1 1499 . 1 1 253 253 TYR C C 13 177.504 0.30 . 1 . . . . 253 TYR C . 19558 1 1500 . 1 1 253 253 TYR CA C 13 54.973 0.30 . 1 . . . . 253 TYR CA . 19558 1 1501 . 1 1 253 253 TYR CB C 13 41.926 0.30 . 1 . . . . 253 TYR CB . 19558 1 1502 . 1 1 253 253 TYR N N 15 120.041 0.30 . 1 . . . . 253 TYR N . 19558 1 1503 . 1 1 254 254 ASP H H 1 9.829 0.02 . 1 . . . . 254 ASP H . 19558 1 1504 . 1 1 254 254 ASP C C 13 174.088 0.30 . 1 . . . . 254 ASP C . 19558 1 1505 . 1 1 254 254 ASP CA C 13 52.700 0.30 . 1 . . . . 254 ASP CA . 19558 1 1506 . 1 1 254 254 ASP CB C 13 38.262 0.30 . 1 . . . . 254 ASP CB . 19558 1 1507 . 1 1 254 254 ASP N N 15 128.275 0.30 . 1 . . . . 254 ASP N . 19558 1 1508 . 1 1 255 255 TRP H H 1 7.612 0.02 . 1 . . . . 255 TRP H . 19558 1 1509 . 1 1 255 255 TRP C C 13 174.864 0.30 . 1 . . . . 255 TRP C . 19558 1 1510 . 1 1 255 255 TRP CA C 13 56.711 0.30 . 1 . . . . 255 TRP CA . 19558 1 1511 . 1 1 255 255 TRP CB C 13 30.392 0.30 . 1 . . . . 255 TRP CB . 19558 1 1512 . 1 1 255 255 TRP N N 15 124.581 0.30 . 1 . . . . 255 TRP N . 19558 1 1513 . 1 1 256 256 THR H H 1 7.686 0.02 . 1 . . . . 256 THR H . 19558 1 1514 . 1 1 256 256 THR C C 13 173.134 0.30 . 1 . . . . 256 THR C . 19558 1 1515 . 1 1 256 256 THR CA C 13 60.641 0.30 . 1 . . . . 256 THR CA . 19558 1 1516 . 1 1 256 256 THR CB C 13 68.941 0.30 . 1 . . . . 256 THR CB . 19558 1 1517 . 1 1 256 256 THR N N 15 127.775 0.30 . 1 . . . . 256 THR N . 19558 1 1518 . 1 1 257 257 LEU H H 1 8.598 0.02 . 1 . . . . 257 LEU H . 19558 1 1519 . 1 1 257 257 LEU HD11 H 1 0.258 0.02 . 2 . . . . 257 LEU HD1 . 19558 1 1520 . 1 1 257 257 LEU HD12 H 1 0.258 0.02 . 2 . . . . 257 LEU HD1 . 19558 1 1521 . 1 1 257 257 LEU HD13 H 1 0.258 0.02 . 2 . . . . 257 LEU HD1 . 19558 1 1522 . 1 1 257 257 LEU HD21 H 1 -0.010 0.02 . 2 . . . . 257 LEU HD2 . 19558 1 1523 . 1 1 257 257 LEU HD22 H 1 -0.010 0.02 . 2 . . . . 257 LEU HD2 . 19558 1 1524 . 1 1 257 257 LEU HD23 H 1 -0.010 0.02 . 2 . . . . 257 LEU HD2 . 19558 1 1525 . 1 1 257 257 LEU C C 13 177.256 0.30 . 1 . . . . 257 LEU C . 19558 1 1526 . 1 1 257 257 LEU CA C 13 54.432 0.30 . 1 . . . . 257 LEU CA . 19558 1 1527 . 1 1 257 257 LEU CB C 13 41.024 0.30 . 1 . . . . 257 LEU CB . 19558 1 1528 . 1 1 257 257 LEU CD1 C 13 23.073 0.30 . 1 . . . . 257 LEU CD1 . 19558 1 1529 . 1 1 257 257 LEU CD2 C 13 23.520 0.30 . 1 . . . . 257 LEU CD2 . 19558 1 1530 . 1 1 257 257 LEU N N 15 131.831 0.30 . 1 . . . . 257 LEU N . 19558 1 1531 . 1 1 258 258 THR H H 1 8.434 0.02 . 1 . . . . 258 THR H . 19558 1 1532 . 1 1 258 258 THR C C 13 173.769 0.30 . 1 . . . . 258 THR C . 19558 1 1533 . 1 1 258 258 THR CA C 13 59.919 0.30 . 1 . . . . 258 THR CA . 19558 1 1534 . 1 1 258 258 THR CB C 13 72.136 0.30 . 1 . . . . 258 THR CB . 19558 1 1535 . 1 1 258 258 THR N N 15 116.406 0.30 . 1 . . . . 258 THR N . 19558 1 1536 . 1 1 259 259 ILE H H 1 8.151 0.02 . 1 . . . . 259 ILE H . 19558 1 1537 . 1 1 259 259 ILE HD11 H 1 0.929 0.02 . 1 . . . . 259 ILE HD1 . 19558 1 1538 . 1 1 259 259 ILE HD12 H 1 0.929 0.02 . 1 . . . . 259 ILE HD1 . 19558 1 1539 . 1 1 259 259 ILE HD13 H 1 0.929 0.02 . 1 . . . . 259 ILE HD1 . 19558 1 1540 . 1 1 259 259 ILE C C 13 176.677 0.30 . 1 . . . . 259 ILE C . 19558 1 1541 . 1 1 259 259 ILE CA C 13 59.504 0.30 . 1 . . . . 259 ILE CA . 19558 1 1542 . 1 1 259 259 ILE CB C 13 38.833 0.30 . 1 . . . . 259 ILE CB . 19558 1 1543 . 1 1 259 259 ILE CD1 C 13 14.048 0.30 . 1 . . . . 259 ILE CD1 . 19558 1 1544 . 1 1 259 259 ILE N N 15 118.921 0.30 . 1 . . . . 259 ILE N . 19558 1 stop_ save_