data_18730 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18730 _Entry.Title ; Chemical shift assignment of West Nile Virus NS2B-NS3 protease in a complex with 4-phenyl-phenyl-KKR-aldehyde. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-09-20 _Entry.Accession_date 2012-09-20 _Entry.Last_release_date 2013-02-12 _Entry.Original_release_date 2013-02-12 _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 . _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 Shovanlal Gayen . . . 18730 2 Angela Chen . Shuyi . 18730 3 Congbao Kang . . . 18730 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18730 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 557 18730 '15N chemical shifts' 187 18730 '1H chemical shifts' 189 18730 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 . . 2013-02-12 2012-09-20 original author . 18730 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18730 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23211132 _Citation.Full_citation . _Citation.Title 'Exploring the binding of peptidic West Nile virus NS2B-NS3 protease inhibitors by NMR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Antiviral Res.' _Citation.Journal_name_full 'Antiviral research' _Citation.Journal_volume 97 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 137 _Citation.Page_last 144 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Congbao Kang . . . 18730 1 2 Shovanlal Gayen . . . 18730 1 3 Weiling Wang . . . 18730 1 4 Rene Severin . . . 18730 1 5 'Angela Shuyi' Chen . . . 18730 1 6 'Huichang Annie' Lim . . . 18730 1 7 'Cheng San Brian' Chia . . . 18730 1 8 Andreas Schuller . . . 18730 1 9 'Danny Ngoc Phouc' Doan . . . 18730 1 10 Anders Poulsen . . . 18730 1 11 Jeffrey Hill . . . 18730 1 12 Subhash Vasudevan . G. . 18730 1 13 Thomas Keller . H. . 18730 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18730 _Assembly.ID 1 _Assembly.Name West_nile_protease _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 West_nile_protease 1 $West_nile_protease A . yes native no no . . . 18730 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_West_nile_protease _Entity.Sf_category entity _Entity.Sf_framecode West_nile_protease _Entity.Entry_ID 18730 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name West_nile_protease _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAGSHHHHHHGSTDMWIERT ADISWESDAEITGSSERVDV RLDDDGNFQLMNDPGAGGGG SGGGGGVLWDTPSPKEYKKG DTTTGVYRIMTRGLLGSYQA GAGVMVEGVFHTLWHTTKGA ALMSGEGRLDPYWGSVKEDR LCYGGPWKLQHKWNGQDEVQ MIVVEPGKNVKNVQTKPGVF KTPEGEIGAVTLDFPTGTSG SPIVDKNGDVIGLYGNGVIM PNGSYISAIVQGERMDEPIP AGFEPEML ; _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 248 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2FP7 . "West Nile Virus Ns2b/ns3protease In Complex With Bz-nle-lys-arg-arg-h" . . . . . 68.15 172 97.63 98.82 2.40e-114 . . . . 18730 1 2 no PDB 2GGV . "Crystal Structure Of The West Nile Virus Ns2b-Ns3 Protease, His51ala Mutant" . . . . . 71.37 185 98.31 99.44 1.31e-120 . . . . 18730 1 3 no PDB 2IJO . "Crystal Structure Of The West Nile Virus Ns2b-Ns3 Protease Complexed With Bovine Pancreatic Trypsin Inhibitor" . . . . . 74.19 192 98.91 100.00 1.73e-127 . . . . 18730 1 4 no PDB 3E90 . "West Nile Vi Rus Ns2b-Ns3protease In Complexed With Inhibitor Naph-Kkr-H" . . . . . 75.81 198 98.94 100.00 1.09e-129 . . . . 18730 1 5 no GB ADX89821 . "polyprotein, partial [West Nile virus]" . . . . . 74.19 1920 100.00 100.00 1.60e-118 . . . . 18730 1 6 no GB ADX89822 . "polyprotein, partial [West Nile virus]" . . . . . 74.19 1920 100.00 100.00 1.65e-118 . . . . 18730 1 7 no GB ADX89823 . "polyprotein, partial [West Nile virus]" . . . . . 74.19 1920 100.00 100.00 1.60e-118 . . . . 18730 1 8 no GB ADX89824 . "polyprotein, partial [West Nile virus]" . . . . . 74.19 1920 100.00 100.00 1.60e-118 . . . . 18730 1 9 no GB ADX89825 . "polyprotein, partial [West Nile virus]" . . . . . 74.19 1920 100.00 100.00 1.60e-118 . . . . 18730 1 10 no REF NP_776018 . "unnamed protein product [West Nile virus]" . . . . . 74.19 619 97.83 98.91 5.54e-123 . . . . 18730 1 11 no REF YP_001527884 . "unnamed protein product [West Nile virus]" . . . . . 74.19 619 100.00 100.00 9.84e-126 . . . . 18730 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 . 18730 1 2 2 ALA . 18730 1 3 3 GLY . 18730 1 4 4 SER . 18730 1 5 5 HIS . 18730 1 6 6 HIS . 18730 1 7 7 HIS . 18730 1 8 8 HIS . 18730 1 9 9 HIS . 18730 1 10 10 HIS . 18730 1 11 11 GLY . 18730 1 12 12 SER . 18730 1 13 13 THR . 18730 1 14 14 ASP . 18730 1 15 15 MET . 18730 1 16 16 TRP . 18730 1 17 17 ILE . 18730 1 18 18 GLU . 18730 1 19 19 ARG . 18730 1 20 20 THR . 18730 1 21 21 ALA . 18730 1 22 22 ASP . 18730 1 23 23 ILE . 18730 1 24 24 SER . 18730 1 25 25 TRP . 18730 1 26 26 GLU . 18730 1 27 27 SER . 18730 1 28 28 ASP . 18730 1 29 29 ALA . 18730 1 30 30 GLU . 18730 1 31 31 ILE . 18730 1 32 32 THR . 18730 1 33 33 GLY . 18730 1 34 34 SER . 18730 1 35 35 SER . 18730 1 36 36 GLU . 18730 1 37 37 ARG . 18730 1 38 38 VAL . 18730 1 39 39 ASP . 18730 1 40 40 VAL . 18730 1 41 41 ARG . 18730 1 42 42 LEU . 18730 1 43 43 ASP . 18730 1 44 44 ASP . 18730 1 45 45 ASP . 18730 1 46 46 GLY . 18730 1 47 47 ASN . 18730 1 48 48 PHE . 18730 1 49 49 GLN . 18730 1 50 50 LEU . 18730 1 51 51 MET . 18730 1 52 52 ASN . 18730 1 53 53 ASP . 18730 1 54 54 PRO . 18730 1 55 55 GLY . 18730 1 56 56 ALA . 18730 1 57 57 GLY . 18730 1 58 58 GLY . 18730 1 59 59 GLY . 18730 1 60 60 GLY . 18730 1 61 61 SER . 18730 1 62 62 GLY . 18730 1 63 63 GLY . 18730 1 64 64 GLY . 18730 1 65 65 GLY . 18730 1 66 66 GLY . 18730 1 67 67 VAL . 18730 1 68 68 LEU . 18730 1 69 69 TRP . 18730 1 70 70 ASP . 18730 1 71 71 THR . 18730 1 72 72 PRO . 18730 1 73 73 SER . 18730 1 74 74 PRO . 18730 1 75 75 LYS . 18730 1 76 76 GLU . 18730 1 77 77 TYR . 18730 1 78 78 LYS . 18730 1 79 79 LYS . 18730 1 80 80 GLY . 18730 1 81 81 ASP . 18730 1 82 82 THR . 18730 1 83 83 THR . 18730 1 84 84 THR . 18730 1 85 85 GLY . 18730 1 86 86 VAL . 18730 1 87 87 TYR . 18730 1 88 88 ARG . 18730 1 89 89 ILE . 18730 1 90 90 MET . 18730 1 91 91 THR . 18730 1 92 92 ARG . 18730 1 93 93 GLY . 18730 1 94 94 LEU . 18730 1 95 95 LEU . 18730 1 96 96 GLY . 18730 1 97 97 SER . 18730 1 98 98 TYR . 18730 1 99 99 GLN . 18730 1 100 100 ALA . 18730 1 101 101 GLY . 18730 1 102 102 ALA . 18730 1 103 103 GLY . 18730 1 104 104 VAL . 18730 1 105 105 MET . 18730 1 106 106 VAL . 18730 1 107 107 GLU . 18730 1 108 108 GLY . 18730 1 109 109 VAL . 18730 1 110 110 PHE . 18730 1 111 111 HIS . 18730 1 112 112 THR . 18730 1 113 113 LEU . 18730 1 114 114 TRP . 18730 1 115 115 HIS . 18730 1 116 116 THR . 18730 1 117 117 THR . 18730 1 118 118 LYS . 18730 1 119 119 GLY . 18730 1 120 120 ALA . 18730 1 121 121 ALA . 18730 1 122 122 LEU . 18730 1 123 123 MET . 18730 1 124 124 SER . 18730 1 125 125 GLY . 18730 1 126 126 GLU . 18730 1 127 127 GLY . 18730 1 128 128 ARG . 18730 1 129 129 LEU . 18730 1 130 130 ASP . 18730 1 131 131 PRO . 18730 1 132 132 TYR . 18730 1 133 133 TRP . 18730 1 134 134 GLY . 18730 1 135 135 SER . 18730 1 136 136 VAL . 18730 1 137 137 LYS . 18730 1 138 138 GLU . 18730 1 139 139 ASP . 18730 1 140 140 ARG . 18730 1 141 141 LEU . 18730 1 142 142 CYS . 18730 1 143 143 TYR . 18730 1 144 144 GLY . 18730 1 145 145 GLY . 18730 1 146 146 PRO . 18730 1 147 147 TRP . 18730 1 148 148 LYS . 18730 1 149 149 LEU . 18730 1 150 150 GLN . 18730 1 151 151 HIS . 18730 1 152 152 LYS . 18730 1 153 153 TRP . 18730 1 154 154 ASN . 18730 1 155 155 GLY . 18730 1 156 156 GLN . 18730 1 157 157 ASP . 18730 1 158 158 GLU . 18730 1 159 159 VAL . 18730 1 160 160 GLN . 18730 1 161 161 MET . 18730 1 162 162 ILE . 18730 1 163 163 VAL . 18730 1 164 164 VAL . 18730 1 165 165 GLU . 18730 1 166 166 PRO . 18730 1 167 167 GLY . 18730 1 168 168 LYS . 18730 1 169 169 ASN . 18730 1 170 170 VAL . 18730 1 171 171 LYS . 18730 1 172 172 ASN . 18730 1 173 173 VAL . 18730 1 174 174 GLN . 18730 1 175 175 THR . 18730 1 176 176 LYS . 18730 1 177 177 PRO . 18730 1 178 178 GLY . 18730 1 179 179 VAL . 18730 1 180 180 PHE . 18730 1 181 181 LYS . 18730 1 182 182 THR . 18730 1 183 183 PRO . 18730 1 184 184 GLU . 18730 1 185 185 GLY . 18730 1 186 186 GLU . 18730 1 187 187 ILE . 18730 1 188 188 GLY . 18730 1 189 189 ALA . 18730 1 190 190 VAL . 18730 1 191 191 THR . 18730 1 192 192 LEU . 18730 1 193 193 ASP . 18730 1 194 194 PHE . 18730 1 195 195 PRO . 18730 1 196 196 THR . 18730 1 197 197 GLY . 18730 1 198 198 THR . 18730 1 199 199 SER . 18730 1 200 200 GLY . 18730 1 201 201 SER . 18730 1 202 202 PRO . 18730 1 203 203 ILE . 18730 1 204 204 VAL . 18730 1 205 205 ASP . 18730 1 206 206 LYS . 18730 1 207 207 ASN . 18730 1 208 208 GLY . 18730 1 209 209 ASP . 18730 1 210 210 VAL . 18730 1 211 211 ILE . 18730 1 212 212 GLY . 18730 1 213 213 LEU . 18730 1 214 214 TYR . 18730 1 215 215 GLY . 18730 1 216 216 ASN . 18730 1 217 217 GLY . 18730 1 218 218 VAL . 18730 1 219 219 ILE . 18730 1 220 220 MET . 18730 1 221 221 PRO . 18730 1 222 222 ASN . 18730 1 223 223 GLY . 18730 1 224 224 SER . 18730 1 225 225 TYR . 18730 1 226 226 ILE . 18730 1 227 227 SER . 18730 1 228 228 ALA . 18730 1 229 229 ILE . 18730 1 230 230 VAL . 18730 1 231 231 GLN . 18730 1 232 232 GLY . 18730 1 233 233 GLU . 18730 1 234 234 ARG . 18730 1 235 235 MET . 18730 1 236 236 ASP . 18730 1 237 237 GLU . 18730 1 238 238 PRO . 18730 1 239 239 ILE . 18730 1 240 240 PRO . 18730 1 241 241 ALA . 18730 1 242 242 GLY . 18730 1 243 243 PHE . 18730 1 244 244 GLU . 18730 1 245 245 PRO . 18730 1 246 246 GLU . 18730 1 247 247 MET . 18730 1 248 248 LEU . 18730 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 18730 1 . ALA 2 2 18730 1 . GLY 3 3 18730 1 . SER 4 4 18730 1 . HIS 5 5 18730 1 . HIS 6 6 18730 1 . HIS 7 7 18730 1 . HIS 8 8 18730 1 . HIS 9 9 18730 1 . HIS 10 10 18730 1 . GLY 11 11 18730 1 . SER 12 12 18730 1 . THR 13 13 18730 1 . ASP 14 14 18730 1 . MET 15 15 18730 1 . TRP 16 16 18730 1 . ILE 17 17 18730 1 . GLU 18 18 18730 1 . ARG 19 19 18730 1 . THR 20 20 18730 1 . ALA 21 21 18730 1 . ASP 22 22 18730 1 . ILE 23 23 18730 1 . SER 24 24 18730 1 . TRP 25 25 18730 1 . GLU 26 26 18730 1 . SER 27 27 18730 1 . ASP 28 28 18730 1 . ALA 29 29 18730 1 . GLU 30 30 18730 1 . ILE 31 31 18730 1 . THR 32 32 18730 1 . GLY 33 33 18730 1 . SER 34 34 18730 1 . SER 35 35 18730 1 . GLU 36 36 18730 1 . ARG 37 37 18730 1 . VAL 38 38 18730 1 . ASP 39 39 18730 1 . VAL 40 40 18730 1 . ARG 41 41 18730 1 . LEU 42 42 18730 1 . ASP 43 43 18730 1 . ASP 44 44 18730 1 . ASP 45 45 18730 1 . GLY 46 46 18730 1 . ASN 47 47 18730 1 . PHE 48 48 18730 1 . GLN 49 49 18730 1 . LEU 50 50 18730 1 . MET 51 51 18730 1 . ASN 52 52 18730 1 . ASP 53 53 18730 1 . PRO 54 54 18730 1 . GLY 55 55 18730 1 . ALA 56 56 18730 1 . GLY 57 57 18730 1 . GLY 58 58 18730 1 . GLY 59 59 18730 1 . GLY 60 60 18730 1 . SER 61 61 18730 1 . GLY 62 62 18730 1 . GLY 63 63 18730 1 . GLY 64 64 18730 1 . GLY 65 65 18730 1 . GLY 66 66 18730 1 . VAL 67 67 18730 1 . LEU 68 68 18730 1 . TRP 69 69 18730 1 . ASP 70 70 18730 1 . THR 71 71 18730 1 . PRO 72 72 18730 1 . SER 73 73 18730 1 . PRO 74 74 18730 1 . LYS 75 75 18730 1 . GLU 76 76 18730 1 . TYR 77 77 18730 1 . LYS 78 78 18730 1 . LYS 79 79 18730 1 . GLY 80 80 18730 1 . ASP 81 81 18730 1 . THR 82 82 18730 1 . THR 83 83 18730 1 . THR 84 84 18730 1 . GLY 85 85 18730 1 . VAL 86 86 18730 1 . TYR 87 87 18730 1 . ARG 88 88 18730 1 . ILE 89 89 18730 1 . MET 90 90 18730 1 . THR 91 91 18730 1 . ARG 92 92 18730 1 . GLY 93 93 18730 1 . LEU 94 94 18730 1 . LEU 95 95 18730 1 . GLY 96 96 18730 1 . SER 97 97 18730 1 . TYR 98 98 18730 1 . GLN 99 99 18730 1 . ALA 100 100 18730 1 . GLY 101 101 18730 1 . ALA 102 102 18730 1 . GLY 103 103 18730 1 . VAL 104 104 18730 1 . MET 105 105 18730 1 . VAL 106 106 18730 1 . GLU 107 107 18730 1 . GLY 108 108 18730 1 . VAL 109 109 18730 1 . PHE 110 110 18730 1 . HIS 111 111 18730 1 . THR 112 112 18730 1 . LEU 113 113 18730 1 . TRP 114 114 18730 1 . HIS 115 115 18730 1 . THR 116 116 18730 1 . THR 117 117 18730 1 . LYS 118 118 18730 1 . GLY 119 119 18730 1 . ALA 120 120 18730 1 . ALA 121 121 18730 1 . LEU 122 122 18730 1 . MET 123 123 18730 1 . SER 124 124 18730 1 . GLY 125 125 18730 1 . GLU 126 126 18730 1 . GLY 127 127 18730 1 . ARG 128 128 18730 1 . LEU 129 129 18730 1 . ASP 130 130 18730 1 . PRO 131 131 18730 1 . TYR 132 132 18730 1 . TRP 133 133 18730 1 . GLY 134 134 18730 1 . SER 135 135 18730 1 . VAL 136 136 18730 1 . LYS 137 137 18730 1 . GLU 138 138 18730 1 . ASP 139 139 18730 1 . ARG 140 140 18730 1 . LEU 141 141 18730 1 . CYS 142 142 18730 1 . TYR 143 143 18730 1 . GLY 144 144 18730 1 . GLY 145 145 18730 1 . PRO 146 146 18730 1 . TRP 147 147 18730 1 . LYS 148 148 18730 1 . LEU 149 149 18730 1 . GLN 150 150 18730 1 . HIS 151 151 18730 1 . LYS 152 152 18730 1 . TRP 153 153 18730 1 . ASN 154 154 18730 1 . GLY 155 155 18730 1 . GLN 156 156 18730 1 . ASP 157 157 18730 1 . GLU 158 158 18730 1 . VAL 159 159 18730 1 . GLN 160 160 18730 1 . MET 161 161 18730 1 . ILE 162 162 18730 1 . VAL 163 163 18730 1 . VAL 164 164 18730 1 . GLU 165 165 18730 1 . PRO 166 166 18730 1 . GLY 167 167 18730 1 . LYS 168 168 18730 1 . ASN 169 169 18730 1 . VAL 170 170 18730 1 . LYS 171 171 18730 1 . ASN 172 172 18730 1 . VAL 173 173 18730 1 . GLN 174 174 18730 1 . THR 175 175 18730 1 . LYS 176 176 18730 1 . PRO 177 177 18730 1 . GLY 178 178 18730 1 . VAL 179 179 18730 1 . PHE 180 180 18730 1 . LYS 181 181 18730 1 . THR 182 182 18730 1 . PRO 183 183 18730 1 . GLU 184 184 18730 1 . GLY 185 185 18730 1 . GLU 186 186 18730 1 . ILE 187 187 18730 1 . GLY 188 188 18730 1 . ALA 189 189 18730 1 . VAL 190 190 18730 1 . THR 191 191 18730 1 . LEU 192 192 18730 1 . ASP 193 193 18730 1 . PHE 194 194 18730 1 . PRO 195 195 18730 1 . THR 196 196 18730 1 . GLY 197 197 18730 1 . THR 198 198 18730 1 . SER 199 199 18730 1 . GLY 200 200 18730 1 . SER 201 201 18730 1 . PRO 202 202 18730 1 . ILE 203 203 18730 1 . VAL 204 204 18730 1 . ASP 205 205 18730 1 . LYS 206 206 18730 1 . ASN 207 207 18730 1 . GLY 208 208 18730 1 . ASP 209 209 18730 1 . VAL 210 210 18730 1 . ILE 211 211 18730 1 . GLY 212 212 18730 1 . LEU 213 213 18730 1 . TYR 214 214 18730 1 . GLY 215 215 18730 1 . ASN 216 216 18730 1 . GLY 217 217 18730 1 . VAL 218 218 18730 1 . ILE 219 219 18730 1 . MET 220 220 18730 1 . PRO 221 221 18730 1 . ASN 222 222 18730 1 . GLY 223 223 18730 1 . SER 224 224 18730 1 . TYR 225 225 18730 1 . ILE 226 226 18730 1 . SER 227 227 18730 1 . ALA 228 228 18730 1 . ILE 229 229 18730 1 . VAL 230 230 18730 1 . GLN 231 231 18730 1 . GLY 232 232 18730 1 . GLU 233 233 18730 1 . ARG 234 234 18730 1 . MET 235 235 18730 1 . ASP 236 236 18730 1 . GLU 237 237 18730 1 . PRO 238 238 18730 1 . ILE 239 239 18730 1 . PRO 240 240 18730 1 . ALA 241 241 18730 1 . GLY 242 242 18730 1 . PHE 243 243 18730 1 . GLU 244 244 18730 1 . PRO 245 245 18730 1 . GLU 246 246 18730 1 . MET 247 247 18730 1 . LEU 248 248 18730 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 18730 _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 $West_nile_protease . 562 organism . 'Escherichia coli' 'Escherichia coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 18730 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 18730 _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 $West_nile_protease . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21 . . . . . . 18730 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18730 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Sample is dissolved in 20mM HEPES, pH 7.3, 1mM DTT, and 10% D2O, as well as 2mM peptide inhibitor.' _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 'West nile protease' '[U-13C; U-15N]' . . 1 $West_nile_protease . . 0.8 . . mM . . . . 18730 1 2 '4-Phenyl-phenylacetyl-KKR aldehyde' 'natural abundance' . . . . . . 2 . . mM . . . . 18730 1 3 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 18730 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18730 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18730 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18730 1 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 18730 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Sample is dissolved in 20mM HEPES, pH 7.3, 1mM DTT, and 10% D2O.' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 18730 1 pH 7.3 . pH 18730 1 pressure 1 . atm 18730 1 temperature 298 . K 18730 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18730 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18730 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18730 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18730 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18730 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18730 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18730 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18730 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18730 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18730 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 18730 _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 . 700 . . . 18730 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 18730 _Experiment_list.ID 1 _Experiment_list.Details 'Sample is dissolved in 20mM HEPES, pH 7.3, 1mM DTT, and 10% D2O.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18730 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18730 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18730 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18730 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18730 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18730 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 18730 _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 . indirect 0.251449530 . . . . . . . . . 18730 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18730 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 18730 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 18730 _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 HSQC' . . . 18730 1 2 '3D HNCACB' . . . 18730 1 3 '3D CBCA(CO)NH' . . . 18730 1 4 '3D HNCA' . . . 18730 1 5 '3D HNCO' . . . 18730 1 6 '3D HN(CO)CA' . . . 18730 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 10 10 HIS CA C 13 56.66 0.02 . 1 . . . . 10 HIS CA . 18730 1 2 . 1 1 10 10 HIS CB C 13 30.46 0.2 . 1 . . . . 10 HIS CB . 18730 1 3 . 1 1 11 11 GLY H H 1 8.294 0.02 . 1 . . . . 11 GLY H . 18730 1 4 . 1 1 11 11 GLY C C 13 171.43 0.2 . 1 . . . . 11 GLY C . 18730 1 5 . 1 1 11 11 GLY CA C 13 45.37 0.2 . 1 . . . . 11 GLY CA . 18730 1 6 . 1 1 11 11 GLY N N 15 110.069 0.2 . 1 . . . . 11 GLY N . 18730 1 7 . 1 1 12 12 SER H H 1 8.151 0.02 . 1 . . . . 12 SER H . 18730 1 8 . 1 1 12 12 SER C C 13 171.83 0.2 . 1 . . . . 12 SER C . 18730 1 9 . 1 1 12 12 SER CA C 13 58.74 0.2 . 1 . . . . 12 SER CA . 18730 1 10 . 1 1 12 12 SER CB C 13 64.36 0.2 . 1 . . . . 12 SER CB . 18730 1 11 . 1 1 12 12 SER N N 15 115.468 0.2 . 1 . . . . 12 SER N . 18730 1 12 . 1 1 13 13 THR H H 1 8.057 0.02 . 1 . . . . 13 THR H . 18730 1 13 . 1 1 13 13 THR C C 13 171.03 0.2 . 1 . . . . 13 THR C . 18730 1 14 . 1 1 13 13 THR CA C 13 61.03 0.2 . 1 . . . . 13 THR CA . 18730 1 15 . 1 1 13 13 THR CB C 13 69.53 0.2 . 1 . . . . 13 THR CB . 18730 1 16 . 1 1 13 13 THR N N 15 114.994 0.2 . 1 . . . . 13 THR N . 18730 1 17 . 1 1 14 14 ASP H H 1 8.334 0.02 . 1 . . . . 14 ASP H . 18730 1 18 . 1 1 14 14 ASP C C 13 172.93 0.2 . 1 . . . . 14 ASP C . 18730 1 19 . 1 1 14 14 ASP CA C 13 55.11 0.2 . 1 . . . . 14 ASP CA . 18730 1 20 . 1 1 14 14 ASP CB C 13 41.89 0.2 . 1 . . . . 14 ASP CB . 18730 1 21 . 1 1 14 14 ASP N N 15 122.236 0.2 . 1 . . . . 14 ASP N . 18730 1 22 . 1 1 15 15 MET H H 1 8.214 0.02 . 1 . . . . 15 MET H . 18730 1 23 . 1 1 15 15 MET C C 13 172.43 0.2 . 1 . . . . 15 MET C . 18730 1 24 . 1 1 15 15 MET CA C 13 55.71 0.2 . 1 . . . . 15 MET CA . 18730 1 25 . 1 1 15 15 MET N N 15 119.316 0.2 . 1 . . . . 15 MET N . 18730 1 26 . 1 1 16 16 TRP C C 13 169.93 0.2 . 1 . . . . 16 TRP C . 18730 1 27 . 1 1 16 16 TRP CA C 13 56.56 0.2 . 1 . . . . 16 TRP CA . 18730 1 28 . 1 1 16 16 TRP CB C 13 33.5 0.2 . 1 . . . . 16 TRP CB . 18730 1 29 . 1 1 17 17 ILE H H 1 8.071 0.02 . 1 . . . . 17 ILE H . 18730 1 30 . 1 1 17 17 ILE C C 13 172.83 0.2 . 1 . . . . 17 ILE C . 18730 1 31 . 1 1 17 17 ILE CA C 13 58.2 0.2 . 1 . . . . 17 ILE CA . 18730 1 32 . 1 1 17 17 ILE CB C 13 41.03 0.2 . 1 . . . . 17 ILE CB . 18730 1 33 . 1 1 17 17 ILE N N 15 109.281 0.2 . 1 . . . . 17 ILE N . 18730 1 34 . 1 1 18 18 GLU C C 13 172.33 0.2 . 1 . . . . 18 GLU C . 18730 1 35 . 1 1 18 18 GLU CA C 13 54.34 0.2 . 1 . . . . 18 GLU CA . 18730 1 36 . 1 1 18 18 GLU CB C 13 33.03 0.2 . 1 . . . . 18 GLU CB . 18730 1 37 . 1 1 19 19 ARG H H 1 9.22 0.02 . 1 . . . . 19 ARG H . 18730 1 38 . 1 1 19 19 ARG C C 13 173.53 0.2 . 1 . . . . 19 ARG C . 18730 1 39 . 1 1 19 19 ARG CA C 13 58.1 0.2 . 1 . . . . 19 ARG CA . 18730 1 40 . 1 1 19 19 ARG CB C 13 28.36 0.2 . 1 . . . . 19 ARG CB . 18730 1 41 . 1 1 19 19 ARG N N 15 129.707 0.2 . 1 . . . . 19 ARG N . 18730 1 42 . 1 1 20 20 THR H H 1 9.03 0.02 . 1 . . . . 20 THR H . 18730 1 43 . 1 1 20 20 THR C C 13 169.83 0.2 . 1 . . . . 20 THR C . 18730 1 44 . 1 1 20 20 THR CA C 13 60.41 0.2 . 1 . . . . 20 THR CA . 18730 1 45 . 1 1 20 20 THR CB C 13 71.54 0.2 . 1 . . . . 20 THR CB . 18730 1 46 . 1 1 20 20 THR N N 15 119.156 0.2 . 1 . . . . 20 THR N . 18730 1 47 . 1 1 21 21 ALA H H 1 7.421 0.02 . 1 . . . . 21 ALA H . 18730 1 48 . 1 1 21 21 ALA C C 13 172.43 0.2 . 1 . . . . 21 ALA C . 18730 1 49 . 1 1 21 21 ALA CA C 13 52.37 0.2 . 1 . . . . 21 ALA CA . 18730 1 50 . 1 1 21 21 ALA CB C 13 22.36 0.2 . 1 . . . . 21 ALA CB . 18730 1 51 . 1 1 21 21 ALA N N 15 121.1 0.2 . 1 . . . . 21 ALA N . 18730 1 52 . 1 1 22 22 ASP C C 13 172.63 0.2 . 1 . . . . 22 ASP C . 18730 1 53 . 1 1 22 22 ASP CA C 13 53.63 0.2 . 1 . . . . 22 ASP CA . 18730 1 54 . 1 1 22 22 ASP CB C 13 41.7 0.2 . 1 . . . . 22 ASP CB . 18730 1 55 . 1 1 23 23 ILE H H 1 8.766 0.02 . 1 . . . . 23 ILE H . 18730 1 56 . 1 1 23 23 ILE C C 13 172.43 0.2 . 1 . . . . 23 ILE C . 18730 1 57 . 1 1 23 23 ILE CA C 13 62.19 0.2 . 1 . . . . 23 ILE CA . 18730 1 58 . 1 1 23 23 ILE CB C 13 37.23 0.2 . 1 . . . . 23 ILE CB . 18730 1 59 . 1 1 23 23 ILE N N 15 119.77 0.2 . 1 . . . . 23 ILE N . 18730 1 60 . 1 1 24 24 SER H H 1 6.854 0.02 . 1 . . . . 24 SER H . 18730 1 61 . 1 1 24 24 SER C C 13 168.53 0.2 . 1 . . . . 24 SER C . 18730 1 62 . 1 1 24 24 SER CA C 13 57.69 0.2 . 1 . . . . 24 SER CA . 18730 1 63 . 1 1 24 24 SER CB C 13 65.32 0.2 . 1 . . . . 24 SER CB . 18730 1 64 . 1 1 24 24 SER N N 15 120.332 0.2 . 1 . . . . 24 SER N . 18730 1 65 . 1 1 25 25 TRP H H 1 8.325 0.02 . 1 . . . . 25 TRP H . 18730 1 66 . 1 1 25 25 TRP C C 13 173.33 0.2 . 1 . . . . 25 TRP C . 18730 1 67 . 1 1 25 25 TRP CA C 13 56.55 0.2 . 1 . . . . 25 TRP CA . 18730 1 68 . 1 1 25 25 TRP CB C 13 30.03 0.2 . 1 . . . . 25 TRP CB . 18730 1 69 . 1 1 25 25 TRP N N 15 122.044 0.2 . 1 . . . . 25 TRP N . 18730 1 70 . 1 1 26 26 GLU H H 1 8.815 0.02 . 1 . . . . 26 GLU H . 18730 1 71 . 1 1 26 26 GLU C C 13 174.13 0.2 . 1 . . . . 26 GLU C . 18730 1 72 . 1 1 26 26 GLU CA C 13 54.48 0.2 . 1 . . . . 26 GLU CA . 18730 1 73 . 1 1 26 26 GLU CB C 13 31.08 0.2 . 1 . . . . 26 GLU CB . 18730 1 74 . 1 1 26 26 GLU N N 15 129.244 0.2 . 1 . . . . 26 GLU N . 18730 1 75 . 1 1 27 27 SER H H 1 8.884 0.02 . 1 . . . . 27 SER H . 18730 1 76 . 1 1 27 27 SER C C 13 171.73 0.2 . 1 . . . . 27 SER C . 18730 1 77 . 1 1 27 27 SER CA C 13 60.9 0.2 . 1 . . . . 27 SER CA . 18730 1 78 . 1 1 27 27 SER CB C 13 63.41 0.2 . 1 . . . . 27 SER CB . 18730 1 79 . 1 1 27 27 SER N N 15 120.971 0.2 . 1 . . . . 27 SER N . 18730 1 80 . 1 1 28 28 ASP H H 1 8.4 0.02 . 1 . . . . 28 ASP H . 18730 1 81 . 1 1 28 28 ASP C C 13 172.23 0.2 . 1 . . . . 28 ASP C . 18730 1 82 . 1 1 28 28 ASP CA C 13 53.78 0.2 . 1 . . . . 28 ASP CA . 18730 1 83 . 1 1 28 28 ASP CB C 13 39.56 0.2 . 1 . . . . 28 ASP CB . 18730 1 84 . 1 1 28 28 ASP N N 15 119.346 0.2 . 1 . . . . 28 ASP N . 18730 1 85 . 1 1 29 29 ALA H H 1 6.854 0.02 . 1 . . . . 29 ALA H . 18730 1 86 . 1 1 29 29 ALA C C 13 174.23 0.2 . 1 . . . . 29 ALA C . 18730 1 87 . 1 1 29 29 ALA CA C 13 52.37 0.2 . 1 . . . . 29 ALA CA . 18730 1 88 . 1 1 29 29 ALA CB C 13 19.46 0.2 . 1 . . . . 29 ALA CB . 18730 1 89 . 1 1 29 29 ALA N N 15 121.711 0.2 . 1 . . . . 29 ALA N . 18730 1 90 . 1 1 30 30 GLU H H 1 8.102 0.02 . 1 . . . . 30 GLU H . 18730 1 91 . 1 1 30 30 GLU C C 13 171.93 0.2 . 1 . . . . 30 GLU C . 18730 1 92 . 1 1 30 30 GLU CA C 13 56.61 0.2 . 1 . . . . 30 GLU CA . 18730 1 93 . 1 1 30 30 GLU CB C 13 30.22 0.2 . 1 . . . . 30 GLU CB . 18730 1 94 . 1 1 30 30 GLU N N 15 121.798 0.2 . 1 . . . . 30 GLU N . 18730 1 95 . 1 1 31 31 ILE H H 1 8.215 0.02 . 1 . . . . 31 ILE H . 18730 1 96 . 1 1 31 31 ILE C C 13 174.13 0.2 . 1 . . . . 31 ILE C . 18730 1 97 . 1 1 31 31 ILE CA C 13 60.23 0.2 . 1 . . . . 31 ILE CA . 18730 1 98 . 1 1 31 31 ILE CB C 13 38.16 0.2 . 1 . . . . 31 ILE CB . 18730 1 99 . 1 1 31 31 ILE N N 15 124.807 0.2 . 1 . . . . 31 ILE N . 18730 1 100 . 1 1 32 32 THR H H 1 8.762 0.02 . 1 . . . . 32 THR H . 18730 1 101 . 1 1 32 32 THR C C 13 170.83 0.2 . 1 . . . . 32 THR C . 18730 1 102 . 1 1 32 32 THR CA C 13 60.81 0.2 . 1 . . . . 32 THR CA . 18730 1 103 . 1 1 32 32 THR CB C 13 69.36 0.2 . 1 . . . . 32 THR CB . 18730 1 104 . 1 1 32 32 THR N N 15 122.117 0.2 . 1 . . . . 32 THR N . 18730 1 105 . 1 1 33 33 GLY H H 1 8.202 0.02 . 1 . . . . 33 GLY H . 18730 1 106 . 1 1 33 33 GLY C C 13 169.73 0.2 . 1 . . . . 33 GLY C . 18730 1 107 . 1 1 33 33 GLY CA C 13 44.74 0.2 . 1 . . . . 33 GLY CA . 18730 1 108 . 1 1 33 33 GLY N N 15 110.863 0.2 . 1 . . . . 33 GLY N . 18730 1 109 . 1 1 34 34 SER H H 1 7.672 0.02 . 1 . . . . 34 SER H . 18730 1 110 . 1 1 34 34 SER C C 13 170.93 0.2 . 1 . . . . 34 SER C . 18730 1 111 . 1 1 34 34 SER CA C 13 57.8 0.2 . 1 . . . . 34 SER CA . 18730 1 112 . 1 1 34 34 SER CB C 13 64.9 0.2 . 1 . . . . 34 SER CB . 18730 1 113 . 1 1 34 34 SER N N 15 113.488 0.2 . 1 . . . . 34 SER N . 18730 1 114 . 1 1 35 35 SER H H 1 8.458 0.02 . 1 . . . . 35 SER H . 18730 1 115 . 1 1 35 35 SER C C 13 171.33 0.2 . 1 . . . . 35 SER C . 18730 1 116 . 1 1 35 35 SER CA C 13 56.89 0.2 . 1 . . . . 35 SER CA . 18730 1 117 . 1 1 35 35 SER CB C 13 63.26 0.2 . 1 . . . . 35 SER CB . 18730 1 118 . 1 1 35 35 SER N N 15 117.45 0.2 . 1 . . . . 35 SER N . 18730 1 119 . 1 1 36 36 GLU H H 1 7.99 0.02 . 1 . . . . 36 GLU H . 18730 1 120 . 1 1 36 36 GLU C C 13 172.23 0.2 . 1 . . . . 36 GLU C . 18730 1 121 . 1 1 36 36 GLU CA C 13 55.15 0.2 . 1 . . . . 36 GLU CA . 18730 1 122 . 1 1 36 36 GLU CB C 13 30.92 0.2 . 1 . . . . 36 GLU CB . 18730 1 123 . 1 1 36 36 GLU N N 15 124.71 0.2 . 1 . . . . 36 GLU N . 18730 1 124 . 1 1 37 37 ARG H H 1 8.468 0.02 . 1 . . . . 37 ARG H . 18730 1 125 . 1 1 37 37 ARG C C 13 173.03 0.2 . 1 . . . . 37 ARG C . 18730 1 126 . 1 1 37 37 ARG CA C 13 55.36 0.2 . 1 . . . . 37 ARG CA . 18730 1 127 . 1 1 37 37 ARG CB C 13 31.13 0.2 . 1 . . . . 37 ARG CB . 18730 1 128 . 1 1 37 37 ARG N N 15 121.05 0.2 . 1 . . . . 37 ARG N . 18730 1 129 . 1 1 38 38 VAL H H 1 8.593 0.02 . 1 . . . . 38 VAL H . 18730 1 130 . 1 1 38 38 VAL C C 13 171.33 0.2 . 1 . . . . 38 VAL C . 18730 1 131 . 1 1 38 38 VAL CA C 13 60.83 0.2 . 1 . . . . 38 VAL CA . 18730 1 132 . 1 1 38 38 VAL CB C 13 35.63 0.2 . 1 . . . . 38 VAL CB . 18730 1 133 . 1 1 38 38 VAL N N 15 123.942 0.2 . 1 . . . . 38 VAL N . 18730 1 134 . 1 1 39 39 ASP H H 1 8.413 0.02 . 1 . . . . 39 ASP H . 18730 1 135 . 1 1 39 39 ASP C C 13 172.93 0.2 . 1 . . . . 39 ASP C . 18730 1 136 . 1 1 39 39 ASP CA C 13 54.46 0.2 . 1 . . . . 39 ASP CA . 18730 1 137 . 1 1 39 39 ASP CB C 13 41.23 0.2 . 1 . . . . 39 ASP CB . 18730 1 138 . 1 1 39 39 ASP N N 15 127.438 0.2 . 1 . . . . 39 ASP N . 18730 1 139 . 1 1 40 40 VAL H H 1 8.127 0.02 . 1 . . . . 40 VAL H . 18730 1 140 . 1 1 40 40 VAL C C 13 170.23 0.2 . 1 . . . . 40 VAL C . 18730 1 141 . 1 1 40 40 VAL CA C 13 60.18 0.2 . 1 . . . . 40 VAL CA . 18730 1 142 . 1 1 40 40 VAL CB C 13 36.95 0.2 . 1 . . . . 40 VAL CB . 18730 1 143 . 1 1 40 40 VAL N N 15 117.432 0.2 . 1 . . . . 40 VAL N . 18730 1 144 . 1 1 41 41 ARG H H 1 8.523 0.02 . 1 . . . . 41 ARG H . 18730 1 145 . 1 1 41 41 ARG C C 13 170.83 0.2 . 1 . . . . 41 ARG C . 18730 1 146 . 1 1 41 41 ARG CA C 13 54.31 0.2 . 1 . . . . 41 ARG CA . 18730 1 147 . 1 1 41 41 ARG CB C 13 32.79 0.2 . 1 . . . . 41 ARG CB . 18730 1 148 . 1 1 41 41 ARG N N 15 115.006 0.2 . 1 . . . . 41 ARG N . 18730 1 149 . 1 1 42 42 LEU H H 1 9.076 0.02 . 1 . . . . 42 LEU H . 18730 1 150 . 1 1 42 42 LEU C C 13 173.53 0.2 . 1 . . . . 42 LEU C . 18730 1 151 . 1 1 42 42 LEU CA C 13 54.03 0.2 . 1 . . . . 42 LEU CA . 18730 1 152 . 1 1 42 42 LEU CB C 13 42.99 0.2 . 1 . . . . 42 LEU CB . 18730 1 153 . 1 1 42 42 LEU N N 15 126.301 0.2 . 1 . . . . 42 LEU N . 18730 1 154 . 1 1 43 43 ASP H H 1 8.412 0.02 . 1 . . . . 43 ASP H . 18730 1 155 . 1 1 43 43 ASP CA C 13 53.04 0.2 . 1 . . . . 43 ASP CA . 18730 1 156 . 1 1 43 43 ASP CB C 13 41.61 0.2 . 1 . . . . 43 ASP CB . 18730 1 157 . 1 1 43 43 ASP N N 15 127.299 0.2 . 1 . . . . 43 ASP N . 18730 1 158 . 1 1 44 44 ASP H H 1 8.062 0.02 . 1 . . . . 44 ASP H . 18730 1 159 . 1 1 44 44 ASP C C 13 173.33 0.2 . 1 . . . . 44 ASP C . 18730 1 160 . 1 1 44 44 ASP CA C 13 56.88 0.2 . 1 . . . . 44 ASP CA . 18730 1 161 . 1 1 44 44 ASP CB C 13 40.31 0.2 . 1 . . . . 44 ASP CB . 18730 1 162 . 1 1 44 44 ASP N N 15 114.851 0.2 . 1 . . . . 44 ASP N . 18730 1 163 . 1 1 45 45 ASP H H 1 7.958 0.02 . 1 . . . . 45 ASP H . 18730 1 164 . 1 1 45 45 ASP C C 13 173.33 0.2 . 1 . . . . 45 ASP C . 18730 1 165 . 1 1 45 45 ASP CA C 13 53.89 0.2 . 1 . . . . 45 ASP CA . 18730 1 166 . 1 1 45 45 ASP CB C 13 41.54 0.2 . 1 . . . . 45 ASP CB . 18730 1 167 . 1 1 45 45 ASP N N 15 116.938 0.2 . 1 . . . . 45 ASP N . 18730 1 168 . 1 1 46 46 GLY H H 1 7.938 0.02 . 1 . . . . 46 GLY H . 18730 1 169 . 1 1 46 46 GLY C C 13 171.73 0.2 . 1 . . . . 46 GLY C . 18730 1 170 . 1 1 46 46 GLY CA C 13 47.35 0.2 . 1 . . . . 46 GLY CA . 18730 1 171 . 1 1 46 46 GLY N N 15 108.086 0.2 . 1 . . . . 46 GLY N . 18730 1 172 . 1 1 47 47 ASN H H 1 8.131 0.02 . 1 . . . . 47 ASN H . 18730 1 173 . 1 1 47 47 ASN C C 13 172.93 0.2 . 1 . . . . 47 ASN C . 18730 1 174 . 1 1 47 47 ASN CA C 13 51.56 0.2 . 1 . . . . 47 ASN CA . 18730 1 175 . 1 1 47 47 ASN CB C 13 39.76 0.2 . 1 . . . . 47 ASN CB . 18730 1 176 . 1 1 47 47 ASN N N 15 118.238 0.2 . 1 . . . . 47 ASN N . 18730 1 177 . 1 1 48 48 PHE H H 1 9.943 0.02 . 1 . . . . 48 PHE H . 18730 1 178 . 1 1 48 48 PHE C C 13 173.53 0.2 . 1 . . . . 48 PHE C . 18730 1 179 . 1 1 48 48 PHE CA C 13 59.59 0.2 . 1 . . . . 48 PHE CA . 18730 1 180 . 1 1 48 48 PHE CB C 13 40.36 0.2 . 1 . . . . 48 PHE CB . 18730 1 181 . 1 1 48 48 PHE N N 15 124.611 0.2 . 1 . . . . 48 PHE N . 18730 1 182 . 1 1 49 49 GLN H H 1 9.059 0.02 . 1 . . . . 49 GLN H . 18730 1 183 . 1 1 49 49 GLN C C 13 173.53 0.2 . 1 . . . . 49 GLN C . 18730 1 184 . 1 1 49 49 GLN CA C 13 53.21 0.2 . 1 . . . . 49 GLN CA . 18730 1 185 . 1 1 49 49 GLN CB C 13 29.88 0.2 . 1 . . . . 49 GLN CB . 18730 1 186 . 1 1 49 49 GLN N N 15 118.716 0.2 . 1 . . . . 49 GLN N . 18730 1 187 . 1 1 50 50 LEU H H 1 8.667 0.02 . 1 . . . . 50 LEU H . 18730 1 188 . 1 1 50 50 LEU C C 13 175.63 0.2 . 1 . . . . 50 LEU C . 18730 1 189 . 1 1 50 50 LEU CA C 13 55.84 0.2 . 1 . . . . 50 LEU CA . 18730 1 190 . 1 1 50 50 LEU N N 15 122.697 0.2 . 1 . . . . 50 LEU N . 18730 1 191 . 1 1 52 52 ASN H H 1 8.258 0.02 . 1 . . . . 52 ASN H . 18730 1 192 . 1 1 52 52 ASN N N 15 115.911 0.2 . 1 . . . . 52 ASN N . 18730 1 193 . 1 1 53 53 ASP H H 1 7.566 0.02 . 1 . . . . 53 ASP H . 18730 1 194 . 1 1 53 53 ASP N N 15 120.31 0.2 . 1 . . . . 53 ASP N . 18730 1 195 . 1 1 54 54 PRO C C 13 174.93 0.2 . 1 . . . . 54 PRO C . 18730 1 196 . 1 1 54 54 PRO CA C 13 64 0.2 . 1 . . . . 54 PRO CA . 18730 1 197 . 1 1 54 54 PRO CB C 13 31.5 0.2 . 1 . . . . 54 PRO CB . 18730 1 198 . 1 1 55 55 GLY H H 1 8.434 0.02 . 1 . . . . 55 GLY H . 18730 1 199 . 1 1 55 55 GLY C C 13 171.43 0.2 . 1 . . . . 55 GLY C . 18730 1 200 . 1 1 55 55 GLY CA C 13 45.29 0.2 . 1 . . . . 55 GLY CA . 18730 1 201 . 1 1 55 55 GLY N N 15 107.906 0.2 . 1 . . . . 55 GLY N . 18730 1 202 . 1 1 56 56 ALA H H 1 7.893 0.02 . 1 . . . . 56 ALA H . 18730 1 203 . 1 1 56 56 ALA C C 13 175.53 0.2 . 1 . . . . 56 ALA C . 18730 1 204 . 1 1 56 56 ALA CA C 13 52.73 0.2 . 1 . . . . 56 ALA CA . 18730 1 205 . 1 1 56 56 ALA N N 15 123.405 0.2 . 1 . . . . 56 ALA N . 18730 1 206 . 1 1 57 57 GLY H H 1 8.337 0.02 . 1 . . . . 57 GLY H . 18730 1 207 . 1 1 57 57 GLY N N 15 108.698 0.2 . 1 . . . . 57 GLY N . 18730 1 208 . 1 1 58 58 GLY H H 1 7.284 0.02 . 1 . . . . 58 GLY H . 18730 1 209 . 1 1 58 58 GLY C C 13 178.73 0.2 . 1 . . . . 58 GLY C . 18730 1 210 . 1 1 58 58 GLY CA C 13 43.15 0.2 . 1 . . . . 58 GLY CA . 18730 1 211 . 1 1 58 58 GLY N N 15 121.322 0.2 . 1 . . . . 58 GLY N . 18730 1 212 . 1 1 59 59 GLY H H 1 7.326 0.02 . 1 . . . . 59 GLY H . 18730 1 213 . 1 1 59 59 GLY N N 15 120.737 0.2 . 1 . . . . 59 GLY N . 18730 1 214 . 1 1 60 60 GLY H H 1 6.762 0.02 . 1 . . . . 60 GLY H . 18730 1 215 . 1 1 60 60 GLY N N 15 118.247 0.2 . 1 . . . . 60 GLY N . 18730 1 216 . 1 1 61 61 SER H H 1 8.455 0.02 . 1 . . . . 61 SER H . 18730 1 217 . 1 1 61 61 SER N N 15 115.701 0.2 . 1 . . . . 61 SER N . 18730 1 218 . 1 1 77 77 TYR CA C 13 57.15 0.2 . 1 . . . . 77 TYR CA . 18730 1 219 . 1 1 77 77 TYR CB C 13 39.95 0.2 . 1 . . . . 77 TYR CB . 18730 1 220 . 1 1 78 78 LYS H H 1 8.283 0.02 . 1 . . . . 78 LYS H . 18730 1 221 . 1 1 78 78 LYS C C 13 172.73 0.2 . 1 . . . . 78 LYS C . 18730 1 222 . 1 1 78 78 LYS CA C 13 55.68 0.2 . 1 . . . . 78 LYS CA . 18730 1 223 . 1 1 78 78 LYS CB C 13 32.54 0.2 . 1 . . . . 78 LYS CB . 18730 1 224 . 1 1 78 78 LYS N N 15 123.419 0.2 . 1 . . . . 78 LYS N . 18730 1 225 . 1 1 79 79 LYS H H 1 8.4 0.02 . 1 . . . . 79 LYS H . 18730 1 226 . 1 1 79 79 LYS C C 13 175.23 0.2 . 1 . . . . 79 LYS C . 18730 1 227 . 1 1 79 79 LYS CA C 13 57.15 0.2 . 1 . . . . 79 LYS CA . 18730 1 228 . 1 1 79 79 LYS CB C 13 32.05 0.2 . 1 . . . . 79 LYS CB . 18730 1 229 . 1 1 79 79 LYS N N 15 125.483 0.2 . 1 . . . . 79 LYS N . 18730 1 230 . 1 1 80 80 GLY H H 1 7.973 0.02 . 1 . . . . 80 GLY H . 18730 1 231 . 1 1 80 80 GLY C C 13 168.13 0.2 . 1 . . . . 80 GLY C . 18730 1 232 . 1 1 80 80 GLY CA C 13 44.69 0.2 . 1 . . . . 80 GLY CA . 18730 1 233 . 1 1 80 80 GLY N N 15 110.725 0.2 . 1 . . . . 80 GLY N . 18730 1 234 . 1 1 81 81 ASP H H 1 7.385 0.02 . 1 . . . . 81 ASP H . 18730 1 235 . 1 1 81 81 ASP C C 13 175.03 0.2 . 1 . . . . 81 ASP C . 18730 1 236 . 1 1 81 81 ASP CA C 13 55.43 0.2 . 1 . . . . 81 ASP CA . 18730 1 237 . 1 1 81 81 ASP CB C 13 41.11 0.2 . 1 . . . . 81 ASP CB . 18730 1 238 . 1 1 81 81 ASP N N 15 119.406 0.2 . 1 . . . . 81 ASP N . 18730 1 239 . 1 1 82 82 THR H H 1 8.343 0.02 . 1 . . . . 82 THR H . 18730 1 240 . 1 1 82 82 THR C C 13 171.43 0.2 . 1 . . . . 82 THR C . 18730 1 241 . 1 1 82 82 THR CA C 13 59.48 0.2 . 1 . . . . 82 THR CA . 18730 1 242 . 1 1 82 82 THR N N 15 113.823 0.2 . 1 . . . . 82 THR N . 18730 1 243 . 1 1 83 83 THR C C 13 173.23 0.2 . 1 . . . . 83 THR C . 18730 1 244 . 1 1 83 83 THR CA C 13 65.09 0.2 . 1 . . . . 83 THR CA . 18730 1 245 . 1 1 83 83 THR CB C 13 68.67 0.2 . 1 . . . . 83 THR CB . 18730 1 246 . 1 1 84 84 THR H H 1 9.049 0.02 . 1 . . . . 84 THR H . 18730 1 247 . 1 1 84 84 THR C C 13 172.03 0.2 . 1 . . . . 84 THR C . 18730 1 248 . 1 1 84 84 THR CA C 13 64.15 0.2 . 1 . . . . 84 THR CA . 18730 1 249 . 1 1 84 84 THR CB C 13 70 0.2 . 1 . . . . 84 THR CB . 18730 1 250 . 1 1 84 84 THR N N 15 127.479 0.2 . 1 . . . . 84 THR N . 18730 1 251 . 1 1 85 85 GLY H H 1 8.934 0.02 . 1 . . . . 85 GLY H . 18730 1 252 . 1 1 85 85 GLY C C 13 167.33 0.2 . 1 . . . . 85 GLY C . 18730 1 253 . 1 1 85 85 GLY CA C 13 45.11 0.2 . 1 . . . . 85 GLY CA . 18730 1 254 . 1 1 85 85 GLY N N 15 111.915 0.2 . 1 . . . . 85 GLY N . 18730 1 255 . 1 1 86 86 VAL H H 1 8.9 0.02 . 1 . . . . 86 VAL H . 18730 1 256 . 1 1 86 86 VAL C C 13 172.73 0.2 . 1 . . . . 86 VAL C . 18730 1 257 . 1 1 86 86 VAL CA C 13 62.53 0.2 . 1 . . . . 86 VAL CA . 18730 1 258 . 1 1 86 86 VAL CB C 13 32.89 0.2 . 1 . . . . 86 VAL CB . 18730 1 259 . 1 1 86 86 VAL N N 15 120.69 0.2 . 1 . . . . 86 VAL N . 18730 1 260 . 1 1 87 87 TYR H H 1 9.014 0.02 . 1 . . . . 87 TYR H . 18730 1 261 . 1 1 87 87 TYR C C 13 172.53 0.2 . 1 . . . . 87 TYR C . 18730 1 262 . 1 1 87 87 TYR CA C 13 57.16 0.2 . 1 . . . . 87 TYR CA . 18730 1 263 . 1 1 87 87 TYR CB C 13 42.77 0.2 . 1 . . . . 87 TYR CB . 18730 1 264 . 1 1 87 87 TYR N N 15 125.724 0.2 . 1 . . . . 87 TYR N . 18730 1 265 . 1 1 88 88 ARG H H 1 8.7 0.02 . 1 . . . . 88 ARG H . 18730 1 266 . 1 1 88 88 ARG C C 13 172.33 0.2 . 1 . . . . 88 ARG C . 18730 1 267 . 1 1 88 88 ARG CA C 13 55.3 0.2 . 1 . . . . 88 ARG CA . 18730 1 268 . 1 1 88 88 ARG CB C 13 32.34 0.2 . 1 . . . . 88 ARG CB . 18730 1 269 . 1 1 88 88 ARG N N 15 116.097 0.2 . 1 . . . . 88 ARG N . 18730 1 270 . 1 1 89 89 ILE H H 1 8.707 0.02 . 1 . . . . 89 ILE H . 18730 1 271 . 1 1 89 89 ILE C C 13 171.43 0.2 . 1 . . . . 89 ILE C . 18730 1 272 . 1 1 89 89 ILE CA C 13 61.13 0.2 . 1 . . . . 89 ILE CA . 18730 1 273 . 1 1 89 89 ILE N N 15 121.697 0.2 . 1 . . . . 89 ILE N . 18730 1 274 . 1 1 90 90 MET H H 1 8.874 0.02 . 1 . . . . 90 MET H . 18730 1 275 . 1 1 90 90 MET C C 13 171.43 0.2 . 1 . . . . 90 MET C . 18730 1 276 . 1 1 90 90 MET CA C 13 51.63 0.2 . 1 . . . . 90 MET CA . 18730 1 277 . 1 1 90 90 MET CB C 13 31.12 0.2 . 1 . . . . 90 MET CB . 18730 1 278 . 1 1 90 90 MET N N 15 125.989 0.2 . 1 . . . . 90 MET N . 18730 1 279 . 1 1 91 91 THR H H 1 8.051 0.02 . 1 . . . . 91 THR H . 18730 1 280 . 1 1 91 91 THR C C 13 169.03 0.2 . 1 . . . . 91 THR C . 18730 1 281 . 1 1 91 91 THR CA C 13 59.4 0.2 . 1 . . . . 91 THR CA . 18730 1 282 . 1 1 91 91 THR CB C 13 70.22 0.2 . 1 . . . . 91 THR CB . 18730 1 283 . 1 1 91 91 THR N N 15 111.76 0.2 . 1 . . . . 91 THR N . 18730 1 284 . 1 1 92 92 ARG H H 1 7.961 0.02 . 1 . . . . 92 ARG H . 18730 1 285 . 1 1 92 92 ARG C C 13 173.23 0.2 . 1 . . . . 92 ARG C . 18730 1 286 . 1 1 92 92 ARG CA C 13 56.09 0.2 . 1 . . . . 92 ARG CA . 18730 1 287 . 1 1 92 92 ARG CB C 13 31.58 0.2 . 1 . . . . 92 ARG CB . 18730 1 288 . 1 1 92 92 ARG N N 15 121.594 0.2 . 1 . . . . 92 ARG N . 18730 1 289 . 1 1 93 93 GLY H H 1 8.083 0.02 . 1 . . . . 93 GLY H . 18730 1 290 . 1 1 93 93 GLY C C 13 171.83 0.2 . 1 . . . . 93 GLY C . 18730 1 291 . 1 1 93 93 GLY CA C 13 44.53 0.2 . 1 . . . . 93 GLY CA . 18730 1 292 . 1 1 93 93 GLY N N 15 111.799 0.2 . 1 . . . . 93 GLY N . 18730 1 293 . 1 1 94 94 LEU H H 1 8.597 0.02 . 1 . . . . 94 LEU H . 18730 1 294 . 1 1 94 94 LEU C C 13 176.03 0.2 . 1 . . . . 94 LEU C . 18730 1 295 . 1 1 94 94 LEU CA C 13 58.04 0.2 . 1 . . . . 94 LEU CA . 18730 1 296 . 1 1 94 94 LEU CB C 13 41.88 0.2 . 1 . . . . 94 LEU CB . 18730 1 297 . 1 1 94 94 LEU N N 15 122.097 0.2 . 1 . . . . 94 LEU N . 18730 1 298 . 1 1 95 95 LEU H H 1 8.386 0.02 . 1 . . . . 95 LEU H . 18730 1 299 . 1 1 95 95 LEU C C 13 174.23 0.2 . 1 . . . . 95 LEU C . 18730 1 300 . 1 1 95 95 LEU CA C 13 54.41 0.2 . 1 . . . . 95 LEU CA . 18730 1 301 . 1 1 95 95 LEU CB C 13 41.21 0.2 . 1 . . . . 95 LEU CB . 18730 1 302 . 1 1 95 95 LEU N N 15 116.215 0.2 . 1 . . . . 95 LEU N . 18730 1 303 . 1 1 96 96 GLY H H 1 7.426 0.02 . 1 . . . . 96 GLY H . 18730 1 304 . 1 1 96 96 GLY C C 13 171.03 0.2 . 1 . . . . 96 GLY C . 18730 1 305 . 1 1 96 96 GLY CA C 13 44.61 0.2 . 1 . . . . 96 GLY CA . 18730 1 306 . 1 1 96 96 GLY N N 15 107.317 0.2 . 1 . . . . 96 GLY N . 18730 1 307 . 1 1 97 97 SER H H 1 8.642 0.02 . 1 . . . . 97 SER H . 18730 1 308 . 1 1 97 97 SER C C 13 171.23 0.2 . 1 . . . . 97 SER C . 18730 1 309 . 1 1 97 97 SER CA C 13 58.26 0.2 . 1 . . . . 97 SER CA . 18730 1 310 . 1 1 97 97 SER CB C 13 65.09 0.2 . 1 . . . . 97 SER CB . 18730 1 311 . 1 1 97 97 SER N N 15 117.108 0.2 . 1 . . . . 97 SER N . 18730 1 312 . 1 1 98 98 TYR H H 1 8.77 0.02 . 1 . . . . 98 TYR H . 18730 1 313 . 1 1 98 98 TYR C C 13 169.33 0.2 . 1 . . . . 98 TYR C . 18730 1 314 . 1 1 98 98 TYR CA C 13 56.57 0.2 . 1 . . . . 98 TYR CA . 18730 1 315 . 1 1 98 98 TYR CB C 13 39.96 0.2 . 1 . . . . 98 TYR CB . 18730 1 316 . 1 1 98 98 TYR N N 15 119.459 0.2 . 1 . . . . 98 TYR N . 18730 1 317 . 1 1 99 99 GLN H H 1 8.629 0.02 . 1 . . . . 99 GLN H . 18730 1 318 . 1 1 99 99 GLN C C 13 172.13 0.2 . 1 . . . . 99 GLN C . 18730 1 319 . 1 1 99 99 GLN CA C 13 55.39 0.2 . 1 . . . . 99 GLN CA . 18730 1 320 . 1 1 99 99 GLN N N 15 121.294 0.2 . 1 . . . . 99 GLN N . 18730 1 321 . 1 1 100 100 ALA H H 1 8.758 0.02 . 1 . . . . 100 ALA H . 18730 1 322 . 1 1 100 100 ALA CA C 13 52.42 0.2 . 1 . . . . 100 ALA CA . 18730 1 323 . 1 1 100 100 ALA N N 15 131.046 0.2 . 1 . . . . 100 ALA N . 18730 1 324 . 1 1 101 101 GLY H H 1 7.854 0.02 . 1 . . . . 101 GLY H . 18730 1 325 . 1 1 101 101 GLY C C 13 166.43 0.2 . 1 . . . . 101 GLY C . 18730 1 326 . 1 1 101 101 GLY CA C 13 46.45 0.2 . 1 . . . . 101 GLY CA . 18730 1 327 . 1 1 101 101 GLY N N 15 104.947 0.2 . 1 . . . . 101 GLY N . 18730 1 328 . 1 1 102 102 ALA H H 1 8.907 0.02 . 1 . . . . 102 ALA H . 18730 1 329 . 1 1 102 102 ALA C C 13 171.83 0.2 . 1 . . . . 102 ALA C . 18730 1 330 . 1 1 102 102 ALA CA C 13 50.8 0.2 . 1 . . . . 102 ALA CA . 18730 1 331 . 1 1 102 102 ALA CB C 13 21.96 0.2 . 1 . . . . 102 ALA CB . 18730 1 332 . 1 1 102 102 ALA N N 15 123.664 0.2 . 1 . . . . 102 ALA N . 18730 1 333 . 1 1 103 103 GLY H H 1 8.432 0.02 . 1 . . . . 103 GLY H . 18730 1 334 . 1 1 103 103 GLY C C 13 169.73 0.2 . 1 . . . . 103 GLY C . 18730 1 335 . 1 1 103 103 GLY CA C 13 46.89 0.2 . 1 . . . . 103 GLY CA . 18730 1 336 . 1 1 103 103 GLY N N 15 103.906 0.2 . 1 . . . . 103 GLY N . 18730 1 337 . 1 1 104 104 VAL C C 13 169.43 0.2 . 1 . . . . 104 VAL C . 18730 1 338 . 1 1 104 104 VAL CA C 13 58.88 0.2 . 1 . . . . 104 VAL CA . 18730 1 339 . 1 1 105 105 MET H H 1 9.747 0.02 . 1 . . . . 105 MET H . 18730 1 340 . 1 1 105 105 MET CA C 13 53.52 0.2 . 1 . . . . 105 MET CA . 18730 1 341 . 1 1 105 105 MET N N 15 134.916 0.2 . 1 . . . . 105 MET N . 18730 1 342 . 1 1 106 106 VAL H H 1 8.884 0.02 . 1 . . . . 106 VAL H . 18730 1 343 . 1 1 106 106 VAL CA C 13 62.4 0.2 . 1 . . . . 106 VAL CA . 18730 1 344 . 1 1 106 106 VAL CB C 13 37.68 0.2 . 1 . . . . 106 VAL CB . 18730 1 345 . 1 1 106 106 VAL N N 15 125.818 0.2 . 1 . . . . 106 VAL N . 18730 1 346 . 1 1 107 107 GLU H H 1 9.413 0.02 . 1 . . . . 107 GLU H . 18730 1 347 . 1 1 107 107 GLU C C 13 172.83 0.2 . 1 . . . . 107 GLU C . 18730 1 348 . 1 1 107 107 GLU CA C 13 57.48 0.2 . 1 . . . . 107 GLU CA . 18730 1 349 . 1 1 107 107 GLU CB C 13 27.69 0.2 . 1 . . . . 107 GLU CB . 18730 1 350 . 1 1 107 107 GLU N N 15 123.666 0.2 . 1 . . . . 107 GLU N . 18730 1 351 . 1 1 108 108 GLY H H 1 9.092 0.02 . 1 . . . . 108 GLY H . 18730 1 352 . 1 1 108 108 GLY C C 13 169.53 0.2 . 1 . . . . 108 GLY C . 18730 1 353 . 1 1 108 108 GLY CA C 13 45.42 0.2 . 1 . . . . 108 GLY CA . 18730 1 354 . 1 1 108 108 GLY N N 15 103.058 0.2 . 1 . . . . 108 GLY N . 18730 1 355 . 1 1 109 109 VAL H H 1 7.498 0.02 . 1 . . . . 109 VAL H . 18730 1 356 . 1 1 109 109 VAL CA C 13 61.09 0.2 . 1 . . . . 109 VAL CA . 18730 1 357 . 1 1 109 109 VAL CB C 13 34.78 0.2 . 1 . . . . 109 VAL CB . 18730 1 358 . 1 1 109 109 VAL N N 15 119.617 0.2 . 1 . . . . 109 VAL N . 18730 1 359 . 1 1 110 110 PHE H H 1 8.311 0.02 . 1 . . . . 110 PHE H . 18730 1 360 . 1 1 110 110 PHE C C 13 171.63 0.2 . 1 . . . . 110 PHE C . 18730 1 361 . 1 1 110 110 PHE CA C 13 57.39 0.2 . 1 . . . . 110 PHE CA . 18730 1 362 . 1 1 110 110 PHE CB C 13 40.39 0.2 . 1 . . . . 110 PHE CB . 18730 1 363 . 1 1 110 110 PHE N N 15 126.353 0.2 . 1 . . . . 110 PHE N . 18730 1 364 . 1 1 111 111 HIS H H 1 8.494 0.02 . 1 . . . . 111 HIS H . 18730 1 365 . 1 1 111 111 HIS C C 13 170.23 0.2 . 1 . . . . 111 HIS C . 18730 1 366 . 1 1 111 111 HIS CA C 13 55.86 0.2 . 1 . . . . 111 HIS CA . 18730 1 367 . 1 1 111 111 HIS CB C 13 30.22 0.2 . 1 . . . . 111 HIS CB . 18730 1 368 . 1 1 111 111 HIS N N 15 125.97 0.2 . 1 . . . . 111 HIS N . 18730 1 369 . 1 1 112 112 THR H H 1 8.985 0.02 . 1 . . . . 112 THR H . 18730 1 370 . 1 1 112 112 THR C C 13 170.43 0.2 . 1 . . . . 112 THR C . 18730 1 371 . 1 1 112 112 THR CA C 13 60.61 0.2 . 1 . . . . 112 THR CA . 18730 1 372 . 1 1 112 112 THR N N 15 116.094 0.2 . 1 . . . . 112 THR N . 18730 1 373 . 1 1 113 113 LEU C C 13 175.03 0.2 . 1 . . . . 113 LEU C . 18730 1 374 . 1 1 113 113 LEU CA C 13 54.35 0.2 . 1 . . . . 113 LEU CA . 18730 1 375 . 1 1 113 113 LEU CB C 13 41.68 0.2 . 1 . . . . 113 LEU CB . 18730 1 376 . 1 1 114 114 TRP H H 1 6.871 0.02 . 1 . . . . 114 TRP H . 18730 1 377 . 1 1 114 114 TRP CA C 13 61.08 0.2 . 1 . . . . 114 TRP CA . 18730 1 378 . 1 1 114 114 TRP N N 15 122.726 0.2 . 1 . . . . 114 TRP N . 18730 1 379 . 1 1 115 115 HIS C C 13 173.43 0.2 . 1 . . . . 115 HIS C . 18730 1 380 . 1 1 115 115 HIS CA C 13 59.86 0.2 . 1 . . . . 115 HIS CA . 18730 1 381 . 1 1 115 115 HIS CB C 13 27.03 0.2 . 1 . . . . 115 HIS CB . 18730 1 382 . 1 1 116 116 THR H H 1 7.115 0.02 . 1 . . . . 116 THR H . 18730 1 383 . 1 1 116 116 THR C C 13 173.63 0.2 . 1 . . . . 116 THR C . 18730 1 384 . 1 1 116 116 THR CA C 13 64.6 0.2 . 1 . . . . 116 THR CA . 18730 1 385 . 1 1 116 116 THR CB C 13 68.37 0.2 . 1 . . . . 116 THR CB . 18730 1 386 . 1 1 116 116 THR N N 15 111.898 0.2 . 1 . . . . 116 THR N . 18730 1 387 . 1 1 117 117 THR H H 1 6.347 0.02 . 1 . . . . 117 THR H . 18730 1 388 . 1 1 117 117 THR C C 13 173.23 0.2 . 1 . . . . 117 THR C . 18730 1 389 . 1 1 117 117 THR CA C 13 60.39 0.2 . 1 . . . . 117 THR CA . 18730 1 390 . 1 1 117 117 THR N N 15 105.937 0.2 . 1 . . . . 117 THR N . 18730 1 391 . 1 1 118 118 LYS C C 13 172.73 0.2 . 1 . . . . 118 LYS C . 18730 1 392 . 1 1 118 118 LYS CA C 13 56.5 0.2 . 1 . . . . 118 LYS CA . 18730 1 393 . 1 1 119 119 GLY H H 1 6.797 0.02 . 1 . . . . 119 GLY H . 18730 1 394 . 1 1 119 119 GLY C C 13 170.03 0.2 . 1 . . . . 119 GLY C . 18730 1 395 . 1 1 119 119 GLY CA C 13 44.71 0.2 . 1 . . . . 119 GLY CA . 18730 1 396 . 1 1 120 120 ALA H H 1 6.921 0.02 . 1 . . . . 120 ALA H . 18730 1 397 . 1 1 120 120 ALA C C 13 174.83 0.2 . 1 . . . . 120 ALA C . 18730 1 398 . 1 1 120 120 ALA CA C 13 52.52 0.2 . 1 . . . . 120 ALA CA . 18730 1 399 . 1 1 120 120 ALA CB C 13 18.76 0.2 . 1 . . . . 120 ALA CB . 18730 1 400 . 1 1 120 120 ALA N N 15 120.716 0.2 . 1 . . . . 120 ALA N . 18730 1 401 . 1 1 121 121 ALA H H 1 8.497 0.02 . 1 . . . . 121 ALA H . 18730 1 402 . 1 1 121 121 ALA C C 13 172.83 0.2 . 1 . . . . 121 ALA C . 18730 1 403 . 1 1 121 121 ALA CA C 13 53.46 0.2 . 1 . . . . 121 ALA CA . 18730 1 404 . 1 1 121 121 ALA CB C 13 18.7 0.2 . 1 . . . . 121 ALA CB . 18730 1 405 . 1 1 121 121 ALA N N 15 123.671 0.2 . 1 . . . . 121 ALA N . 18730 1 406 . 1 1 122 122 LEU H H 1 8.007 0.02 . 1 . . . . 122 LEU H . 18730 1 407 . 1 1 122 122 LEU CA C 13 52.46 0.2 . 1 . . . . 122 LEU CA . 18730 1 408 . 1 1 122 122 LEU N N 15 116.198 0.2 . 1 . . . . 122 LEU N . 18730 1 409 . 1 1 123 123 MET C C 13 173.03 0.2 . 1 . . . . 123 MET C . 18730 1 410 . 1 1 123 123 MET CA C 13 54.7 0.2 . 1 . . . . 123 MET CA . 18730 1 411 . 1 1 123 123 MET CB C 13 29.65 0.2 . 1 . . . . 123 MET CB . 18730 1 412 . 1 1 124 124 SER H H 1 8.36 0.02 . 1 . . . . 124 SER H . 18730 1 413 . 1 1 124 124 SER C C 13 172.93 0.2 . 1 . . . . 124 SER C . 18730 1 414 . 1 1 124 124 SER CA C 13 56.08 0.2 . 1 . . . . 124 SER CA . 18730 1 415 . 1 1 124 124 SER CB C 13 62.98 0.2 . 1 . . . . 124 SER CB . 18730 1 416 . 1 1 124 124 SER N N 15 115.133 0.2 . 1 . . . . 124 SER N . 18730 1 417 . 1 1 125 125 GLY H H 1 9.349 0.02 . 1 . . . . 125 GLY H . 18730 1 418 . 1 1 125 125 GLY C C 13 172.43 0.2 . 1 . . . . 125 GLY C . 18730 1 419 . 1 1 125 125 GLY CA C 13 47.02 0.2 . 1 . . . . 125 GLY CA . 18730 1 420 . 1 1 125 125 GLY N N 15 120.194 0.2 . 1 . . . . 125 GLY N . 18730 1 421 . 1 1 126 126 GLU H H 1 9.044 0.02 . 1 . . . . 126 GLU H . 18730 1 422 . 1 1 126 126 GLU C C 13 173.23 0.2 . 1 . . . . 126 GLU C . 18730 1 423 . 1 1 126 126 GLU CA C 13 56.51 0.2 . 1 . . . . 126 GLU CA . 18730 1 424 . 1 1 126 126 GLU CB C 13 29.7 0.2 . 1 . . . . 126 GLU CB . 18730 1 425 . 1 1 126 126 GLU N N 15 125.223 0.2 . 1 . . . . 126 GLU N . 18730 1 426 . 1 1 127 127 GLY H H 1 7.367 0.02 . 1 . . . . 127 GLY H . 18730 1 427 . 1 1 127 127 GLY C C 13 168.03 0.2 . 1 . . . . 127 GLY C . 18730 1 428 . 1 1 127 127 GLY CA C 13 44.44 0.2 . 1 . . . . 127 GLY CA . 18730 1 429 . 1 1 127 127 GLY N N 15 105.325 0.2 . 1 . . . . 127 GLY N . 18730 1 430 . 1 1 128 128 ARG C C 13 172.73 0.2 . 1 . . . . 128 ARG C . 18730 1 431 . 1 1 128 128 ARG CA C 13 55.01 0.2 . 1 . . . . 128 ARG CA . 18730 1 432 . 1 1 128 128 ARG CB C 13 34.95 0.2 . 1 . . . . 128 ARG CB . 18730 1 433 . 1 1 129 129 LEU H H 1 9.376 0.02 . 1 . . . . 129 LEU H . 18730 1 434 . 1 1 129 129 LEU C C 13 171.73 0.2 . 1 . . . . 129 LEU C . 18730 1 435 . 1 1 129 129 LEU CA C 13 53.7 0.2 . 1 . . . . 129 LEU CA . 18730 1 436 . 1 1 129 129 LEU CB C 13 43.81 0.2 . 1 . . . . 129 LEU CB . 18730 1 437 . 1 1 129 129 LEU N N 15 124.881 0.2 . 1 . . . . 129 LEU N . 18730 1 438 . 1 1 130 130 ASP H H 1 8.938 0.02 . 1 . . . . 130 ASP H . 18730 1 439 . 1 1 130 130 ASP C C 13 123.047 0.2 . 1 . . . . 130 ASP C . 18730 1 440 . 1 1 130 130 ASP CA C 13 52.06 0.2 . 1 . . . . 130 ASP CA . 18730 1 441 . 1 1 130 130 ASP N N 15 123.017 0.2 . 1 . . . . 130 ASP N . 18730 1 442 . 1 1 131 131 PRO C C 13 172.83 0.2 . 1 . . . . 131 PRO C . 18730 1 443 . 1 1 131 131 PRO CA C 13 54.83 0.2 . 1 . . . . 131 PRO CA . 18730 1 444 . 1 1 131 131 PRO CB C 13 35.94 0.2 . 1 . . . . 131 PRO CB . 18730 1 445 . 1 1 132 132 TYR H H 1 8.938 0.02 . 1 . . . . 132 TYR H . 18730 1 446 . 1 1 132 132 TYR CA C 13 53.5 0.2 . 1 . . . . 132 TYR CA . 18730 1 447 . 1 1 132 132 TYR N N 15 126.519 0.2 . 1 . . . . 132 TYR N . 18730 1 448 . 1 1 133 133 TRP C C 13 175.23 0.2 . 1 . . . . 133 TRP C . 18730 1 449 . 1 1 133 133 TRP CA C 13 57.29 0.2 . 1 . . . . 133 TRP CA . 18730 1 450 . 1 1 133 133 TRP CB C 13 31.94 0.2 . 1 . . . . 133 TRP CB . 18730 1 451 . 1 1 134 134 GLY H H 1 7.696 0.02 . 1 . . . . 134 GLY H . 18730 1 452 . 1 1 134 134 GLY C C 13 167.93 0.2 . 1 . . . . 134 GLY C . 18730 1 453 . 1 1 134 134 GLY CA C 13 44.85 0.2 . 1 . . . . 134 GLY CA . 18730 1 454 . 1 1 134 134 GLY N N 15 110.751 0.2 . 1 . . . . 134 GLY N . 18730 1 455 . 1 1 135 135 SER H H 1 8.095 0.02 . 1 . . . . 135 SER H . 18730 1 456 . 1 1 135 135 SER C C 13 171.83 0.2 . 1 . . . . 135 SER C . 18730 1 457 . 1 1 135 135 SER CA C 13 55.47 0.2 . 1 . . . . 135 SER CA . 18730 1 458 . 1 1 135 135 SER CB C 13 65.83 0.2 . 1 . . . . 135 SER CB . 18730 1 459 . 1 1 135 135 SER N N 15 111.089 0.2 . 1 . . . . 135 SER N . 18730 1 460 . 1 1 136 136 VAL H H 1 7.934 0.02 . 1 . . . . 136 VAL H . 18730 1 461 . 1 1 136 136 VAL C C 13 175.33 0.2 . 1 . . . . 136 VAL C . 18730 1 462 . 1 1 136 136 VAL CA C 13 65.87 0.2 . 1 . . . . 136 VAL CA . 18730 1 463 . 1 1 136 136 VAL CB C 13 31.03 0.2 . 1 . . . . 136 VAL CB . 18730 1 464 . 1 1 136 136 VAL N N 15 129.986 0.2 . 1 . . . . 136 VAL N . 18730 1 465 . 1 1 137 137 LYS H H 1 7.718 0.02 . 1 . . . . 137 LYS H . 18730 1 466 . 1 1 137 137 LYS C C 13 172.13 0.2 . 1 . . . . 137 LYS C . 18730 1 467 . 1 1 137 137 LYS CA C 13 59.33 0.2 . 1 . . . . 137 LYS CA . 18730 1 468 . 1 1 137 137 LYS CB C 13 31.83 0.2 . 1 . . . . 137 LYS CB . 18730 1 469 . 1 1 137 137 LYS N N 15 119.887 0.2 . 1 . . . . 137 LYS N . 18730 1 470 . 1 1 138 138 GLU H H 1 7.167 0.02 . 1 . . . . 138 GLU H . 18730 1 471 . 1 1 138 138 GLU C C 13 173.23 0.2 . 1 . . . . 138 GLU C . 18730 1 472 . 1 1 138 138 GLU CA C 13 56.04 0.2 . 1 . . . . 138 GLU CA . 18730 1 473 . 1 1 138 138 GLU CB C 13 29.67 0.2 . 1 . . . . 138 GLU CB . 18730 1 474 . 1 1 138 138 GLU N N 15 108.557 0.2 . 1 . . . . 138 GLU N . 18730 1 475 . 1 1 139 139 ASP H H 1 7.75 0.02 . 1 . . . . 139 ASP H . 18730 1 476 . 1 1 139 139 ASP C C 13 172.03 0.2 . 1 . . . . 139 ASP C . 18730 1 477 . 1 1 139 139 ASP CA C 13 54.5 0.2 . 1 . . . . 139 ASP CA . 18730 1 478 . 1 1 139 139 ASP CB C 13 40.34 0.2 . 1 . . . . 139 ASP CB . 18730 1 479 . 1 1 139 139 ASP N N 15 120.896 0.2 . 1 . . . . 139 ASP N . 18730 1 480 . 1 1 140 140 ARG H H 1 7.669 0.02 . 1 . . . . 140 ARG H . 18730 1 481 . 1 1 140 140 ARG C C 13 172.03 0.2 . 1 . . . . 140 ARG C . 18730 1 482 . 1 1 140 140 ARG CA C 13 56.25 0.2 . 1 . . . . 140 ARG CA . 18730 1 483 . 1 1 140 140 ARG CB C 13 34.91 0.2 . 1 . . . . 140 ARG CB . 18730 1 484 . 1 1 140 140 ARG N N 15 111.861 0.2 . 1 . . . . 140 ARG N . 18730 1 485 . 1 1 141 141 LEU H H 1 8.412 0.02 . 1 . . . . 141 LEU H . 18730 1 486 . 1 1 141 141 LEU C C 13 170.63 0.2 . 1 . . . . 141 LEU C . 18730 1 487 . 1 1 141 141 LEU CA C 13 55.42 0.2 . 1 . . . . 141 LEU CA . 18730 1 488 . 1 1 141 141 LEU CB C 13 45.89 0.2 . 1 . . . . 141 LEU CB . 18730 1 489 . 1 1 141 141 LEU N N 15 122.623 0.2 . 1 . . . . 141 LEU N . 18730 1 490 . 1 1 142 142 CYS H H 1 9.744 0.02 . 1 . . . . 142 CYS H . 18730 1 491 . 1 1 142 142 CYS C C 13 170.83 0.2 . 1 . . . . 142 CYS C . 18730 1 492 . 1 1 142 142 CYS CA C 13 55.01 0.2 . 1 . . . . 142 CYS CA . 18730 1 493 . 1 1 142 142 CYS CB C 13 31.5 0.2 . 1 . . . . 142 CYS CB . 18730 1 494 . 1 1 142 142 CYS N N 15 119.797 0.2 . 1 . . . . 142 CYS N . 18730 1 495 . 1 1 143 143 TYR H H 1 9.292 0.02 . 1 . . . . 143 TYR H . 18730 1 496 . 1 1 143 143 TYR C C 13 173.53 0.2 . 1 . . . . 143 TYR C . 18730 1 497 . 1 1 143 143 TYR CA C 13 57.46 0.2 . 1 . . . . 143 TYR CA . 18730 1 498 . 1 1 143 143 TYR N N 15 118.668 0.2 . 1 . . . . 143 TYR N . 18730 1 499 . 1 1 144 144 GLY H H 1 8.135 0.02 . 1 . . . . 144 GLY H . 18730 1 500 . 1 1 144 144 GLY C C 13 169.73 0.2 . 1 . . . . 144 GLY C . 18730 1 501 . 1 1 144 144 GLY CA C 13 45.52 0.2 . 1 . . . . 144 GLY CA . 18730 1 502 . 1 1 144 144 GLY N N 15 108.39 0.2 . 1 . . . . 144 GLY N . 18730 1 503 . 1 1 145 145 GLY H H 1 6.986 0.02 . 1 . . . . 145 GLY H . 18730 1 504 . 1 1 145 145 GLY CA C 13 44.22 0.2 . 1 . . . . 145 GLY CA . 18730 1 505 . 1 1 145 145 GLY N N 15 107.612 0.2 . 1 . . . . 145 GLY N . 18730 1 506 . 1 1 146 146 PRO C C 13 170.43 0.2 . 1 . . . . 146 PRO C . 18730 1 507 . 1 1 146 146 PRO CA C 13 62.17 0.2 . 1 . . . . 146 PRO CA . 18730 1 508 . 1 1 146 146 PRO CB C 13 32.05 0.2 . 1 . . . . 146 PRO CB . 18730 1 509 . 1 1 147 147 TRP H H 1 7.134 0.02 . 1 . . . . 147 TRP H . 18730 1 510 . 1 1 147 147 TRP C C 13 174.53 0.2 . 1 . . . . 147 TRP C . 18730 1 511 . 1 1 147 147 TRP CA C 13 59.95 0.2 . 1 . . . . 147 TRP CA . 18730 1 512 . 1 1 147 147 TRP CB C 13 30.13 0.2 . 1 . . . . 147 TRP CB . 18730 1 513 . 1 1 147 147 TRP N N 15 119.567 0.2 . 1 . . . . 147 TRP N . 18730 1 514 . 1 1 148 148 LYS H H 1 10.711 0.02 . 1 . . . . 148 LYS H . 18730 1 515 . 1 1 148 148 LYS C C 13 175.63 0.2 . 1 . . . . 148 LYS C . 18730 1 516 . 1 1 148 148 LYS CA C 13 54.6 0.2 . 1 . . . . 148 LYS CA . 18730 1 517 . 1 1 148 148 LYS CB C 13 34.64 0.2 . 1 . . . . 148 LYS CB . 18730 1 518 . 1 1 148 148 LYS N N 15 128.114 0.2 . 1 . . . . 148 LYS N . 18730 1 519 . 1 1 149 149 LEU CA C 13 55.11 0.2 . 1 . . . . 149 LEU CA . 18730 1 520 . 1 1 149 149 LEU CB C 13 40.12 0.2 . 1 . . . . 149 LEU CB . 18730 1 521 . 1 1 150 150 GLN H H 1 8.17 0.02 . 1 . . . . 150 GLN H . 18730 1 522 . 1 1 150 150 GLN C C 13 172.53 0.2 . 1 . . . . 150 GLN C . 18730 1 523 . 1 1 150 150 GLN CA C 13 55.8 0.2 . 1 . . . . 150 GLN CA . 18730 1 524 . 1 1 150 150 GLN N N 15 116.598 0.2 . 1 . . . . 150 GLN N . 18730 1 525 . 1 1 151 151 HIS C C 13 170.33 0.2 . 1 . . . . 151 HIS C . 18730 1 526 . 1 1 151 151 HIS CA C 13 57 0.2 . 1 . . . . 151 HIS CA . 18730 1 527 . 1 1 151 151 HIS CB C 13 31.19 0.2 . 1 . . . . 151 HIS CB . 18730 1 528 . 1 1 152 152 LYS H H 1 8.433 0.02 . 1 . . . . 152 LYS H . 18730 1 529 . 1 1 152 152 LYS C C 13 174.43 0.2 . 1 . . . . 152 LYS C . 18730 1 530 . 1 1 152 152 LYS CA C 13 54.19 0.2 . 1 . . . . 152 LYS CA . 18730 1 531 . 1 1 152 152 LYS CB C 13 35.96 0.2 . 1 . . . . 152 LYS CB . 18730 1 532 . 1 1 152 152 LYS N N 15 117.601 0.2 . 1 . . . . 152 LYS N . 18730 1 533 . 1 1 153 153 TRP H H 1 9.697 0.02 . 1 . . . . 153 TRP H . 18730 1 534 . 1 1 153 153 TRP C C 13 174.63 0.2 . 1 . . . . 153 TRP C . 18730 1 535 . 1 1 153 153 TRP CA C 13 57.45 0.2 . 1 . . . . 153 TRP CA . 18730 1 536 . 1 1 153 153 TRP CB C 13 28.14 0.2 . 1 . . . . 153 TRP CB . 18730 1 537 . 1 1 153 153 TRP N N 15 123.493 0.2 . 1 . . . . 153 TRP N . 18730 1 538 . 1 1 154 154 ASN H H 1 9.069 0.02 . 1 . . . . 154 ASN H . 18730 1 539 . 1 1 154 154 ASN C C 13 172.93 0.2 . 1 . . . . 154 ASN C . 18730 1 540 . 1 1 154 154 ASN CA C 13 53.03 0.2 . 1 . . . . 154 ASN CA . 18730 1 541 . 1 1 154 154 ASN N N 15 128.319 0.2 . 1 . . . . 154 ASN N . 18730 1 542 . 1 1 155 155 GLY C C 13 170.63 0.2 . 1 . . . . 155 GLY C . 18730 1 543 . 1 1 155 155 GLY CA C 13 44.26 0.2 . 1 . . . . 155 GLY CA . 18730 1 544 . 1 1 156 156 GLN H H 1 7.483 0.02 . 1 . . . . 156 GLN H . 18730 1 545 . 1 1 156 156 GLN C C 13 172.83 0.2 . 1 . . . . 156 GLN C . 18730 1 546 . 1 1 156 156 GLN CA C 13 56.46 0.2 . 1 . . . . 156 GLN CA . 18730 1 547 . 1 1 156 156 GLN N N 15 115.744 0.2 . 1 . . . . 156 GLN N . 18730 1 548 . 1 1 157 157 ASP H H 1 8.161 0.02 . 1 . . . . 157 ASP H . 18730 1 549 . 1 1 157 157 ASP C C 13 174.63 0.2 . 1 . . . . 157 ASP C . 18730 1 550 . 1 1 157 157 ASP CA C 13 55.55 0.2 . 1 . . . . 157 ASP CA . 18730 1 551 . 1 1 157 157 ASP CB C 13 43.48 0.2 . 1 . . . . 157 ASP CB . 18730 1 552 . 1 1 157 157 ASP N N 15 119.042 0.2 . 1 . . . . 157 ASP N . 18730 1 553 . 1 1 158 158 GLU H H 1 8.618 0.02 . 1 . . . . 158 GLU H . 18730 1 554 . 1 1 158 158 GLU C C 13 172.43 0.2 . 1 . . . . 158 GLU C . 18730 1 555 . 1 1 158 158 GLU CA C 13 57.88 0.2 . 1 . . . . 158 GLU CA . 18730 1 556 . 1 1 158 158 GLU CB C 13 30.67 0.2 . 1 . . . . 158 GLU CB . 18730 1 557 . 1 1 158 158 GLU N N 15 115.991 0.2 . 1 . . . . 158 GLU N . 18730 1 558 . 1 1 159 159 VAL H H 1 8.738 0.02 . 1 . . . . 159 VAL H . 18730 1 559 . 1 1 159 159 VAL C C 13 171.63 0.2 . 1 . . . . 159 VAL C . 18730 1 560 . 1 1 159 159 VAL CA C 13 58.99 0.2 . 1 . . . . 159 VAL CA . 18730 1 561 . 1 1 159 159 VAL CB C 13 34.15 0.2 . 1 . . . . 159 VAL CB . 18730 1 562 . 1 1 159 159 VAL N N 15 110.543 0.2 . 1 . . . . 159 VAL N . 18730 1 563 . 1 1 160 160 GLN H H 1 8.725 0.02 . 1 . . . . 160 GLN H . 18730 1 564 . 1 1 160 160 GLN C C 13 172.03 0.2 . 1 . . . . 160 GLN C . 18730 1 565 . 1 1 160 160 GLN CA C 13 53.52 0.2 . 1 . . . . 160 GLN CA . 18730 1 566 . 1 1 160 160 GLN CB C 13 30.71 0.2 . 1 . . . . 160 GLN CB . 18730 1 567 . 1 1 160 160 GLN N N 15 115.65 0.2 . 1 . . . . 160 GLN N . 18730 1 568 . 1 1 161 161 MET H H 1 8.804 0.02 . 1 . . . . 161 MET H . 18730 1 569 . 1 1 161 161 MET C C 13 171.43 0.2 . 1 . . . . 161 MET C . 18730 1 570 . 1 1 161 161 MET CA C 13 54.15 0.2 . 1 . . . . 161 MET CA . 18730 1 571 . 1 1 161 161 MET CB C 13 35.36 0.2 . 1 . . . . 161 MET CB . 18730 1 572 . 1 1 161 161 MET N N 15 120.506 0.2 . 1 . . . . 161 MET N . 18730 1 573 . 1 1 162 162 ILE H H 1 8.313 0.02 . 1 . . . . 162 ILE H . 18730 1 574 . 1 1 162 162 ILE C C 13 171.53 0.2 . 1 . . . . 162 ILE C . 18730 1 575 . 1 1 162 162 ILE CA C 13 54.14 0.2 . 1 . . . . 162 ILE CA . 18730 1 576 . 1 1 162 162 ILE CB C 13 35.6 0.2 . 1 . . . . 162 ILE CB . 18730 1 577 . 1 1 162 162 ILE N N 15 129.086 0.2 . 1 . . . . 162 ILE N . 18730 1 578 . 1 1 163 163 VAL H H 1 8.626 0.02 . 1 . . . . 163 VAL H . 18730 1 579 . 1 1 163 163 VAL C C 13 174.03 0.2 . 1 . . . . 163 VAL C . 18730 1 580 . 1 1 163 163 VAL CA C 13 63.92 0.2 . 1 . . . . 163 VAL CA . 18730 1 581 . 1 1 163 163 VAL N N 15 123.705 0.2 . 1 . . . . 163 VAL N . 18730 1 582 . 1 1 164 164 VAL CA C 13 59.58 0.2 . 1 . . . . 164 VAL CA . 18730 1 583 . 1 1 164 164 VAL CB C 13 28.37 0.2 . 1 . . . . 164 VAL CB . 18730 1 584 . 1 1 165 165 GLU H H 1 7.415 0.02 . 1 . . . . 165 GLU H . 18730 1 585 . 1 1 165 165 GLU C C 13 172.63 0.2 . 1 . . . . 165 GLU C . 18730 1 586 . 1 1 165 165 GLU CA C 13 54.24 0.2 . 1 . . . . 165 GLU CA . 18730 1 587 . 1 1 165 165 GLU N N 15 123.908 0.2 . 1 . . . . 165 GLU N . 18730 1 588 . 1 1 166 166 PRO C C 13 174.83 0.2 . 1 . . . . 166 PRO C . 18730 1 589 . 1 1 166 166 PRO CA C 13 63.54 0.2 . 1 . . . . 166 PRO CA . 18730 1 590 . 1 1 166 166 PRO CB C 13 31.2 0.2 . 1 . . . . 166 PRO CB . 18730 1 591 . 1 1 167 167 GLY H H 1 8.674 0.02 . 1 . . . . 167 GLY H . 18730 1 592 . 1 1 167 167 GLY C C 13 170.53 0.2 . 1 . . . . 167 GLY C . 18730 1 593 . 1 1 167 167 GLY CA C 13 46.07 0.2 . 1 . . . . 167 GLY CA . 18730 1 594 . 1 1 167 167 GLY N N 15 110.611 0.2 . 1 . . . . 167 GLY N . 18730 1 595 . 1 1 168 168 LYS H H 1 7.352 0.02 . 1 . . . . 168 LYS H . 18730 1 596 . 1 1 168 168 LYS C C 13 173.43 0.2 . 1 . . . . 168 LYS C . 18730 1 597 . 1 1 168 168 LYS CA C 13 53.77 0.2 . 1 . . . . 168 LYS CA . 18730 1 598 . 1 1 168 168 LYS CB C 13 35.61 0.2 . 1 . . . . 168 LYS CB . 18730 1 599 . 1 1 168 168 LYS N N 15 117.551 0.2 . 1 . . . . 168 LYS N . 18730 1 600 . 1 1 169 169 ASN H H 1 8.493 0.02 . 1 . . . . 169 ASN H . 18730 1 601 . 1 1 169 169 ASN C C 13 173.93 0.2 . 1 . . . . 169 ASN C . 18730 1 602 . 1 1 169 169 ASN CA C 13 53.25 0.2 . 1 . . . . 169 ASN CA . 18730 1 603 . 1 1 169 169 ASN CB C 13 37.86 0.2 . 1 . . . . 169 ASN CB . 18730 1 604 . 1 1 169 169 ASN N N 15 119.048 0.2 . 1 . . . . 169 ASN N . 18730 1 605 . 1 1 170 170 VAL H H 1 8.537 0.02 . 1 . . . . 170 VAL H . 18730 1 606 . 1 1 170 170 VAL C C 13 171.83 0.2 . 1 . . . . 170 VAL C . 18730 1 607 . 1 1 170 170 VAL CA C 13 63.92 0.2 . 1 . . . . 170 VAL CA . 18730 1 608 . 1 1 170 170 VAL CB C 13 31.58 0.2 . 1 . . . . 170 VAL CB . 18730 1 609 . 1 1 170 170 VAL N N 15 122.99 0.2 . 1 . . . . 170 VAL N . 18730 1 610 . 1 1 171 171 LYS H H 1 7.388 0.02 . 1 . . . . 171 LYS H . 18730 1 611 . 1 1 171 171 LYS C C 13 169.73 0.2 . 1 . . . . 171 LYS C . 18730 1 612 . 1 1 171 171 LYS CA C 13 54.65 0.2 . 1 . . . . 171 LYS CA . 18730 1 613 . 1 1 171 171 LYS CB C 13 35.11 0.2 . 1 . . . . 171 LYS CB . 18730 1 614 . 1 1 171 171 LYS N N 15 122.329 0.2 . 1 . . . . 171 LYS N . 18730 1 615 . 1 1 172 172 ASN H H 1 8.543 0.02 . 1 . . . . 172 ASN H . 18730 1 616 . 1 1 172 172 ASN C C 13 172.53 0.2 . 1 . . . . 172 ASN C . 18730 1 617 . 1 1 172 172 ASN CA C 13 51.71 0.2 . 1 . . . . 172 ASN CA . 18730 1 618 . 1 1 172 172 ASN CB C 13 38.13 0.2 . 1 . . . . 172 ASN CB . 18730 1 619 . 1 1 172 172 ASN N N 15 121.428 0.2 . 1 . . . . 172 ASN N . 18730 1 620 . 1 1 173 173 VAL H H 1 8.303 0.02 . 1 . . . . 173 VAL H . 18730 1 621 . 1 1 173 173 VAL C C 13 170.13 0.2 . 1 . . . . 173 VAL C . 18730 1 622 . 1 1 173 173 VAL CA C 13 60.23 0.2 . 1 . . . . 173 VAL CA . 18730 1 623 . 1 1 173 173 VAL CB C 13 34.78 0.2 . 1 . . . . 173 VAL CB . 18730 1 624 . 1 1 173 173 VAL N N 15 114.738 0.2 . 1 . . . . 173 VAL N . 18730 1 625 . 1 1 174 174 GLN H H 1 9.196 0.02 . 1 . . . . 174 GLN H . 18730 1 626 . 1 1 174 174 GLN C C 13 170.43 0.2 . 1 . . . . 174 GLN C . 18730 1 627 . 1 1 174 174 GLN CA C 13 54.06 0.2 . 1 . . . . 174 GLN CA . 18730 1 628 . 1 1 174 174 GLN CB C 13 31.61 0.2 . 1 . . . . 174 GLN CB . 18730 1 629 . 1 1 174 174 GLN N N 15 127.061 0.2 . 1 . . . . 174 GLN N . 18730 1 630 . 1 1 175 175 THR H H 1 8.726 0.02 . 1 . . . . 175 THR H . 18730 1 631 . 1 1 175 175 THR C C 13 168.13 0.2 . 1 . . . . 175 THR C . 18730 1 632 . 1 1 175 175 THR CA C 13 60.53 0.2 . 1 . . . . 175 THR CA . 18730 1 633 . 1 1 175 175 THR CB C 13 70.31 0.2 . 1 . . . . 175 THR CB . 18730 1 634 . 1 1 175 175 THR N N 15 116.968 0.2 . 1 . . . . 175 THR N . 18730 1 635 . 1 1 176 176 LYS H H 1 7.989 0.02 . 1 . . . . 176 LYS H . 18730 1 636 . 1 1 176 176 LYS C C 13 170.73 0.2 . 1 . . . . 176 LYS C . 18730 1 637 . 1 1 176 176 LYS CA C 13 52.75 0.2 . 1 . . . . 176 LYS CA . 18730 1 638 . 1 1 176 176 LYS N N 15 128.248 0.2 . 1 . . . . 176 LYS N . 18730 1 639 . 1 1 177 177 PRO C C 13 174.73 0.2 . 1 . . . . 177 PRO C . 18730 1 640 . 1 1 177 177 PRO CA C 13 63.53 0.2 . 1 . . . . 177 PRO CA . 18730 1 641 . 1 1 177 177 PRO CB C 13 30.38 0.2 . 1 . . . . 177 PRO CB . 18730 1 642 . 1 1 178 178 GLY H H 1 8.129 0.02 . 1 . . . . 178 GLY H . 18730 1 643 . 1 1 178 178 GLY C C 13 170.03 0.2 . 1 . . . . 178 GLY C . 18730 1 644 . 1 1 178 178 GLY CA C 13 43.97 0.2 . 1 . . . . 178 GLY CA . 18730 1 645 . 1 1 178 178 GLY N N 15 109.104 0.2 . 1 . . . . 178 GLY N . 18730 1 646 . 1 1 179 179 VAL H H 1 8.208 0.02 . 1 . . . . 179 VAL H . 18730 1 647 . 1 1 179 179 VAL C C 13 173.03 0.2 . 1 . . . . 179 VAL C . 18730 1 648 . 1 1 179 179 VAL CA C 13 60.74 0.2 . 1 . . . . 179 VAL CA . 18730 1 649 . 1 1 179 179 VAL N N 15 113.839 0.2 . 1 . . . . 179 VAL N . 18730 1 650 . 1 1 180 180 PHE H H 1 9.394 0.02 . 1 . . . . 180 PHE H . 18730 1 651 . 1 1 180 180 PHE C C 13 172.33 0.2 . 1 . . . . 180 PHE C . 18730 1 652 . 1 1 180 180 PHE CA C 13 51.98 0.2 . 1 . . . . 180 PHE CA . 18730 1 653 . 1 1 180 180 PHE CB C 13 37.79 0.2 . 1 . . . . 180 PHE CB . 18730 1 654 . 1 1 180 180 PHE N N 15 123.52 0.2 . 1 . . . . 180 PHE N . 18730 1 655 . 1 1 181 181 LYS H H 1 9.1 0.02 . 1 . . . . 181 LYS H . 18730 1 656 . 1 1 181 181 LYS C C 13 172.83 0.2 . 1 . . . . 181 LYS C . 18730 1 657 . 1 1 181 181 LYS CA C 13 55.95 0.2 . 1 . . . . 181 LYS CA . 18730 1 658 . 1 1 181 181 LYS CB C 13 31.43 0.2 . 1 . . . . 181 LYS CB . 18730 1 659 . 1 1 181 181 LYS N N 15 126.279 0.2 . 1 . . . . 181 LYS N . 18730 1 660 . 1 1 182 182 THR H H 1 7.991 0.02 . 1 . . . . 182 THR H . 18730 1 661 . 1 1 182 182 THR C C 13 172.43 0.2 . 1 . . . . 182 THR C . 18730 1 662 . 1 1 182 182 THR CA C 13 59.57 0.2 . 1 . . . . 182 THR CA . 18730 1 663 . 1 1 182 182 THR N N 15 118.931 0.2 . 1 . . . . 182 THR N . 18730 1 664 . 1 1 183 183 PRO C C 13 174.43 0.2 . 1 . . . . 183 PRO C . 18730 1 665 . 1 1 183 183 PRO CA C 13 65.02 0.2 . 1 . . . . 183 PRO CA . 18730 1 666 . 1 1 183 183 PRO CB C 13 31.43 0.2 . 1 . . . . 183 PRO CB . 18730 1 667 . 1 1 184 184 GLU H H 1 7.779 0.02 . 1 . . . . 184 GLU H . 18730 1 668 . 1 1 184 184 GLU C C 13 173.23 0.2 . 1 . . . . 184 GLU C . 18730 1 669 . 1 1 184 184 GLU CA C 13 56.48 0.2 . 1 . . . . 184 GLU CA . 18730 1 670 . 1 1 184 184 GLU CB C 13 29.63 0.2 . 1 . . . . 184 GLU CB . 18730 1 671 . 1 1 184 184 GLU N N 15 112.987 0.2 . 1 . . . . 184 GLU N . 18730 1 672 . 1 1 185 185 GLY H H 1 7.542 0.02 . 1 . . . . 185 GLY H . 18730 1 673 . 1 1 185 185 GLY C C 13 170.83 0.2 . 1 . . . . 185 GLY C . 18730 1 674 . 1 1 185 185 GLY CA C 13 44.74 0.2 . 1 . . . . 185 GLY CA . 18730 1 675 . 1 1 185 185 GLY N N 15 108.101 0.2 . 1 . . . . 185 GLY N . 18730 1 676 . 1 1 186 186 GLU H H 1 8.595 0.02 . 1 . . . . 186 GLU H . 18730 1 677 . 1 1 186 186 GLU C C 13 174.03 0.2 . 1 . . . . 186 GLU C . 18730 1 678 . 1 1 186 186 GLU CA C 13 56.11 0.2 . 1 . . . . 186 GLU CA . 18730 1 679 . 1 1 186 186 GLU CB C 13 31.27 0.2 . 1 . . . . 186 GLU CB . 18730 1 680 . 1 1 186 186 GLU N N 15 120.543 0.2 . 1 . . . . 186 GLU N . 18730 1 681 . 1 1 187 187 ILE H H 1 9.145 0.02 . 1 . . . . 187 ILE H . 18730 1 682 . 1 1 187 187 ILE C C 13 172.63 0.2 . 1 . . . . 187 ILE C . 18730 1 683 . 1 1 187 187 ILE CA C 13 60.38 0.2 . 1 . . . . 187 ILE CA . 18730 1 684 . 1 1 187 187 ILE CB C 13 42.23 0.2 . 1 . . . . 187 ILE CB . 18730 1 685 . 1 1 187 187 ILE N N 15 122.923 0.2 . 1 . . . . 187 ILE N . 18730 1 686 . 1 1 188 188 GLY H H 1 9.857 0.02 . 1 . . . . 188 GLY H . 18730 1 687 . 1 1 188 188 GLY C C 13 168.93 0.2 . 1 . . . . 188 GLY C . 18730 1 688 . 1 1 188 188 GLY CA C 13 47.11 0.2 . 1 . . . . 188 GLY CA . 18730 1 689 . 1 1 188 188 GLY N N 15 112.98 0.2 . 1 . . . . 188 GLY N . 18730 1 690 . 1 1 189 189 ALA H H 1 7.344 0.02 . 1 . . . . 189 ALA H . 18730 1 691 . 1 1 189 189 ALA C C 13 173.93 0.2 . 1 . . . . 189 ALA C . 18730 1 692 . 1 1 189 189 ALA CA C 13 51.02 0.2 . 1 . . . . 189 ALA CA . 18730 1 693 . 1 1 189 189 ALA CB C 13 20.89 0.2 . 1 . . . . 189 ALA CB . 18730 1 694 . 1 1 189 189 ALA N N 15 123.522 0.2 . 1 . . . . 189 ALA N . 18730 1 695 . 1 1 190 190 VAL H H 1 9.151 0.02 . 1 . . . . 190 VAL H . 18730 1 696 . 1 1 190 190 VAL C C 13 172.43 0.2 . 1 . . . . 190 VAL C . 18730 1 697 . 1 1 190 190 VAL CA C 13 57.72 0.2 . 1 . . . . 190 VAL CA . 18730 1 698 . 1 1 190 190 VAL CB C 13 34.13 0.2 . 1 . . . . 190 VAL CB . 18730 1 699 . 1 1 190 190 VAL N N 15 112.151 0.2 . 1 . . . . 190 VAL N . 18730 1 700 . 1 1 191 191 THR H H 1 9.333 0.02 . 1 . . . . 191 THR H . 18730 1 701 . 1 1 191 191 THR C C 13 171.43 0.2 . 1 . . . . 191 THR C . 18730 1 702 . 1 1 191 191 THR CA C 13 59.58 0.2 . 1 . . . . 191 THR CA . 18730 1 703 . 1 1 191 191 THR CB C 13 67.49 0.2 . 1 . . . . 191 THR CB . 18730 1 704 . 1 1 191 191 THR N N 15 124.608 0.2 . 1 . . . . 191 THR N . 18730 1 705 . 1 1 192 192 LEU H H 1 6.838 0.02 . 1 . . . . 192 LEU H . 18730 1 706 . 1 1 192 192 LEU C C 13 172.73 0.2 . 1 . . . . 192 LEU C . 18730 1 707 . 1 1 192 192 LEU CA C 13 53.18 0.2 . 1 . . . . 192 LEU CA . 18730 1 708 . 1 1 192 192 LEU CB C 13 45.09 0.2 . 1 . . . . 192 LEU CB . 18730 1 709 . 1 1 192 192 LEU N N 15 120.949 0.2 . 1 . . . . 192 LEU N . 18730 1 710 . 1 1 193 193 ASP H H 1 8.781 0.02 . 1 . . . . 193 ASP H . 18730 1 711 . 1 1 193 193 ASP C C 13 172.63 0.2 . 1 . . . . 193 ASP C . 18730 1 712 . 1 1 193 193 ASP CA C 13 53.82 0.2 . 1 . . . . 193 ASP CA . 18730 1 713 . 1 1 193 193 ASP CB C 13 41.89 0.2 . 1 . . . . 193 ASP CB . 18730 1 714 . 1 1 193 193 ASP N N 15 127.848 0.2 . 1 . . . . 193 ASP N . 18730 1 715 . 1 1 194 194 PHE H H 1 7.331 0.02 . 1 . . . . 194 PHE H . 18730 1 716 . 1 1 194 194 PHE CA C 13 56.2 0.2 . 1 . . . . 194 PHE CA . 18730 1 717 . 1 1 194 194 PHE N N 15 121.456 0.2 . 1 . . . . 194 PHE N . 18730 1 718 . 1 1 199 199 SER C C 13 169.73 0.2 . 1 . . . . 199 SER C . 18730 1 719 . 1 1 199 199 SER CA C 13 62.49 0.2 . 1 . . . . 199 SER CA . 18730 1 720 . 1 1 199 199 SER CB C 13 64.79 0.2 . 1 . . . . 199 SER CB . 18730 1 721 . 1 1 200 200 GLY H H 1 10.056 0.02 . 1 . . . . 200 GLY H . 18730 1 722 . 1 1 200 200 GLY C C 13 169.53 0.2 . 1 . . . . 200 GLY C . 18730 1 723 . 1 1 200 200 GLY CA C 13 44.58 0.2 . 1 . . . . 200 GLY CA . 18730 1 724 . 1 1 200 200 GLY N N 15 111.151 0.2 . 1 . . . . 200 GLY N . 18730 1 725 . 1 1 202 202 PRO C C 13 170.63 0.2 . 1 . . . . 202 PRO C . 18730 1 726 . 1 1 202 202 PRO CA C 13 62.65 0.2 . 1 . . . . 202 PRO CA . 18730 1 727 . 1 1 202 202 PRO CB C 13 32.19 0.2 . 1 . . . . 202 PRO CB . 18730 1 728 . 1 1 203 203 ILE H H 1 8.57 0.02 . 1 . . . . 203 ILE H . 18730 1 729 . 1 1 203 203 ILE C C 13 172.63 0.2 . 1 . . . . 203 ILE C . 18730 1 730 . 1 1 203 203 ILE CA C 13 59.05 0.2 . 1 . . . . 203 ILE CA . 18730 1 731 . 1 1 203 203 ILE CB C 13 38.34 0.2 . 1 . . . . 203 ILE CB . 18730 1 732 . 1 1 203 203 ILE N N 15 120.549 0.2 . 1 . . . . 203 ILE N . 18730 1 733 . 1 1 204 204 VAL H H 1 9.717 0.02 . 1 . . . . 204 VAL H . 18730 1 734 . 1 1 204 204 VAL C C 13 172.43 0.2 . 1 . . . . 204 VAL C . 18730 1 735 . 1 1 204 204 VAL CA C 13 58.66 0.2 . 1 . . . . 204 VAL CA . 18730 1 736 . 1 1 204 204 VAL CB C 13 36.14 0.2 . 1 . . . . 204 VAL CB . 18730 1 737 . 1 1 204 204 VAL N N 15 120.177 0.2 . 1 . . . . 204 VAL N . 18730 1 738 . 1 1 205 205 ASP H H 1 8.348 0.02 . 1 . . . . 205 ASP H . 18730 1 739 . 1 1 205 205 ASP C C 13 175.83 0.2 . 1 . . . . 205 ASP C . 18730 1 740 . 1 1 205 205 ASP CA C 13 51.7 0.2 . 1 . . . . 205 ASP CA . 18730 1 741 . 1 1 205 205 ASP CB C 13 42.8 0.2 . 1 . . . . 205 ASP CB . 18730 1 742 . 1 1 205 205 ASP N N 15 119.43 0.2 . 1 . . . . 205 ASP N . 18730 1 743 . 1 1 206 206 LYS H H 1 7.763 0.02 . 1 . . . . 206 LYS H . 18730 1 744 . 1 1 206 206 LYS C C 13 174.73 0.2 . 1 . . . . 206 LYS C . 18730 1 745 . 1 1 206 206 LYS CA C 13 57.73 0.2 . 1 . . . . 206 LYS CA . 18730 1 746 . 1 1 206 206 LYS CB C 13 30.54 0.2 . 1 . . . . 206 LYS CB . 18730 1 747 . 1 1 206 206 LYS N N 15 114.99 0.2 . 1 . . . . 206 LYS N . 18730 1 748 . 1 1 207 207 ASN H H 1 7.751 0.02 . 1 . . . . 207 ASN H . 18730 1 749 . 1 1 207 207 ASN C C 13 173.13 0.2 . 1 . . . . 207 ASN C . 18730 1 750 . 1 1 207 207 ASN CA C 13 53.21 0.2 . 1 . . . . 207 ASN CA . 18730 1 751 . 1 1 207 207 ASN CB C 13 38.66 0.2 . 1 . . . . 207 ASN CB . 18730 1 752 . 1 1 207 207 ASN N N 15 116.895 0.2 . 1 . . . . 207 ASN N . 18730 1 753 . 1 1 208 208 GLY H H 1 8.734 0.02 . 1 . . . . 208 GLY H . 18730 1 754 . 1 1 208 208 GLY C C 13 170.23 0.2 . 1 . . . . 208 GLY C . 18730 1 755 . 1 1 208 208 GLY CA C 13 45.05 0.2 . 1 . . . . 208 GLY CA . 18730 1 756 . 1 1 208 208 GLY N N 15 109.372 0.2 . 1 . . . . 208 GLY N . 18730 1 757 . 1 1 209 209 ASP H H 1 7.786 0.02 . 1 . . . . 209 ASP H . 18730 1 758 . 1 1 209 209 ASP C C 13 172.83 0.2 . 1 . . . . 209 ASP C . 18730 1 759 . 1 1 209 209 ASP CA C 13 54.31 0.2 . 1 . . . . 209 ASP CA . 18730 1 760 . 1 1 209 209 ASP CB C 13 40.92 0.2 . 1 . . . . 209 ASP CB . 18730 1 761 . 1 1 209 209 ASP N N 15 118.68 0.2 . 1 . . . . 209 ASP N . 18730 1 762 . 1 1 210 210 VAL H H 1 8.552 0.02 . 1 . . . . 210 VAL H . 18730 1 763 . 1 1 210 210 VAL C C 13 173.83 0.2 . 1 . . . . 210 VAL C . 18730 1 764 . 1 1 210 210 VAL CA C 13 63.22 0.2 . 1 . . . . 210 VAL CA . 18730 1 765 . 1 1 210 210 VAL CB C 13 31.13 0.2 . 1 . . . . 210 VAL CB . 18730 1 766 . 1 1 210 210 VAL N N 15 119.397 0.2 . 1 . . . . 210 VAL N . 18730 1 767 . 1 1 211 211 ILE H H 1 8.884 0.02 . 1 . . . . 211 ILE H . 18730 1 768 . 1 1 211 211 ILE C C 13 172.03 0.2 . 1 . . . . 211 ILE C . 18730 1 769 . 1 1 211 211 ILE CA C 13 60.91 0.2 . 1 . . . . 211 ILE CA . 18730 1 770 . 1 1 211 211 ILE CB C 13 37.71 0.2 . 1 . . . . 211 ILE CB . 18730 1 771 . 1 1 211 211 ILE N N 15 120.795 0.2 . 1 . . . . 211 ILE N . 18730 1 772 . 1 1 212 212 GLY H H 1 7.421 0.02 . 1 . . . . 212 GLY H . 18730 1 773 . 1 1 212 212 GLY C C 13 167.53 0.2 . 1 . . . . 212 GLY C . 18730 1 774 . 1 1 212 212 GLY CA C 13 45.21 0.2 . 1 . . . . 212 GLY CA . 18730 1 775 . 1 1 212 212 GLY N N 15 105.257 0.2 . 1 . . . . 212 GLY N . 18730 1 776 . 1 1 213 213 LEU H H 1 9.277 0.02 . 1 . . . . 213 LEU H . 18730 1 777 . 1 1 213 213 LEU C C 13 172.53 0.2 . 1 . . . . 213 LEU C . 18730 1 778 . 1 1 213 213 LEU CA C 13 53.49 0.2 . 1 . . . . 213 LEU CA . 18730 1 779 . 1 1 213 213 LEU CB C 13 45.75 0.2 . 1 . . . . 213 LEU CB . 18730 1 780 . 1 1 213 213 LEU N N 15 118.426 0.2 . 1 . . . . 213 LEU N . 18730 1 781 . 1 1 214 214 TYR H H 1 8.59 0.02 . 1 . . . . 214 TYR H . 18730 1 782 . 1 1 214 214 TYR C C 13 174.23 0.2 . 1 . . . . 214 TYR C . 18730 1 783 . 1 1 214 214 TYR CA C 13 58.38 0.2 . 1 . . . . 214 TYR CA . 18730 1 784 . 1 1 214 214 TYR CB C 13 42.93 0.2 . 1 . . . . 214 TYR CB . 18730 1 785 . 1 1 214 214 TYR N N 15 117.94 0.2 . 1 . . . . 214 TYR N . 18730 1 786 . 1 1 215 215 GLY H H 1 8.246 0.02 . 1 . . . . 215 GLY H . 18730 1 787 . 1 1 215 215 GLY C C 13 169.83 0.2 . 1 . . . . 215 GLY C . 18730 1 788 . 1 1 215 215 GLY CA C 13 46.76 0.2 . 1 . . . . 215 GLY CA . 18730 1 789 . 1 1 215 215 GLY N N 15 110.819 0.2 . 1 . . . . 215 GLY N . 18730 1 790 . 1 1 216 216 ASN H H 1 6.931 0.02 . 1 . . . . 216 ASN H . 18730 1 791 . 1 1 216 216 ASN C C 13 172.33 0.2 . 1 . . . . 216 ASN C . 18730 1 792 . 1 1 216 216 ASN CA C 13 53.59 0.2 . 1 . . . . 216 ASN CA . 18730 1 793 . 1 1 216 216 ASN CB C 13 39.87 0.2 . 1 . . . . 216 ASN CB . 18730 1 794 . 1 1 216 216 ASN N N 15 116.367 0.2 . 1 . . . . 216 ASN N . 18730 1 795 . 1 1 217 217 GLY H H 1 8.347 0.02 . 1 . . . . 217 GLY H . 18730 1 796 . 1 1 217 217 GLY C C 13 169.23 0.2 . 1 . . . . 217 GLY C . 18730 1 797 . 1 1 217 217 GLY CA C 13 46.79 0.2 . 1 . . . . 217 GLY CA . 18730 1 798 . 1 1 217 217 GLY N N 15 112.794 0.2 . 1 . . . . 217 GLY N . 18730 1 799 . 1 1 218 218 VAL H H 1 8.475 0.02 . 1 . . . . 218 VAL H . 18730 1 800 . 1 1 218 218 VAL C C 13 169.23 0.2 . 1 . . . . 218 VAL C . 18730 1 801 . 1 1 218 218 VAL CA C 13 59.67 0.2 . 1 . . . . 218 VAL CA . 18730 1 802 . 1 1 218 218 VAL CB C 13 36.33 0.2 . 1 . . . . 218 VAL CB . 18730 1 803 . 1 1 218 218 VAL N N 15 113.973 0.2 . 1 . . . . 218 VAL N . 18730 1 804 . 1 1 219 219 ILE H H 1 7.532 0.02 . 1 . . . . 219 ILE H . 18730 1 805 . 1 1 219 219 ILE C C 13 174.43 0.2 . 1 . . . . 219 ILE C . 18730 1 806 . 1 1 219 219 ILE CA C 13 59.66 0.2 . 1 . . . . 219 ILE CA . 18730 1 807 . 1 1 219 219 ILE CB C 13 37.33 0.2 . 1 . . . . 219 ILE CB . 18730 1 808 . 1 1 219 219 ILE N N 15 119.759 0.2 . 1 . . . . 219 ILE N . 18730 1 809 . 1 1 220 220 MET H H 1 8.899 0.02 . 1 . . . . 220 MET H . 18730 1 810 . 1 1 220 220 MET C C 13 174.33 0.2 . 1 . . . . 220 MET C . 18730 1 811 . 1 1 220 220 MET CA C 13 53.9 0.2 . 1 . . . . 220 MET CA . 18730 1 812 . 1 1 220 220 MET N N 15 126.401 0.2 . 1 . . . . 220 MET N . 18730 1 813 . 1 1 221 221 PRO C C 13 174.23 0.2 . 1 . . . . 221 PRO C . 18730 1 814 . 1 1 221 221 PRO CA C 13 65.76 0.2 . 1 . . . . 221 PRO CA . 18730 1 815 . 1 1 221 221 PRO CB C 13 31.12 0.2 . 1 . . . . 221 PRO CB . 18730 1 816 . 1 1 222 222 ASN H H 1 7.579 0.02 . 1 . . . . 222 ASN H . 18730 1 817 . 1 1 222 222 ASN C C 13 173.73 0.2 . 1 . . . . 222 ASN C . 18730 1 818 . 1 1 222 222 ASN CA C 13 52.71 0.2 . 1 . . . . 222 ASN CA . 18730 1 819 . 1 1 222 222 ASN CB C 13 37 0.2 . 1 . . . . 222 ASN CB . 18730 1 820 . 1 1 222 222 ASN N N 15 111.663 0.2 . 1 . . . . 222 ASN N . 18730 1 821 . 1 1 223 223 GLY H H 1 8.528 0.02 . 1 . . . . 223 GLY H . 18730 1 822 . 1 1 223 223 GLY C C 13 171.53 0.2 . 1 . . . . 223 GLY C . 18730 1 823 . 1 1 223 223 GLY CA C 13 45.03 0.2 . 1 . . . . 223 GLY CA . 18730 1 824 . 1 1 223 223 GLY N N 15 109.291 0.2 . 1 . . . . 223 GLY N . 18730 1 825 . 1 1 224 224 SER H H 1 7.614 0.02 . 1 . . . . 224 SER H . 18730 1 826 . 1 1 224 224 SER C C 13 169.33 0.2 . 1 . . . . 224 SER C . 18730 1 827 . 1 1 224 224 SER CA C 13 59.37 0.2 . 1 . . . . 224 SER CA . 18730 1 828 . 1 1 224 224 SER N N 15 116.158 0.2 . 1 . . . . 224 SER N . 18730 1 829 . 1 1 225 225 TYR H H 1 7.951 0.02 . 1 . . . . 225 TYR H . 18730 1 830 . 1 1 225 225 TYR C C 13 171.23 0.2 . 1 . . . . 225 TYR C . 18730 1 831 . 1 1 225 225 TYR CA C 13 57.24 0.2 . 1 . . . . 225 TYR CA . 18730 1 832 . 1 1 225 225 TYR CB C 13 40.96 0.2 . 1 . . . . 225 TYR CB . 18730 1 833 . 1 1 225 225 TYR N N 15 123.054 0.2 . 1 . . . . 225 TYR N . 18730 1 834 . 1 1 226 226 ILE H H 1 7.504 0.02 . 1 . . . . 226 ILE H . 18730 1 835 . 1 1 226 226 ILE C C 13 171.73 0.2 . 1 . . . . 226 ILE C . 18730 1 836 . 1 1 226 226 ILE CA C 13 59.54 0.2 . 1 . . . . 226 ILE CA . 18730 1 837 . 1 1 226 226 ILE N N 15 124.132 0.2 . 1 . . . . 226 ILE N . 18730 1 838 . 1 1 227 227 SER H H 1 8.113 0.02 . 1 . . . . 227 SER H . 18730 1 839 . 1 1 227 227 SER C C 13 172.33 0.2 . 1 . . . . 227 SER C . 18730 1 840 . 1 1 227 227 SER CA C 13 55.52 0.2 . 1 . . . . 227 SER CA . 18730 1 841 . 1 1 227 227 SER CB C 13 66.35 0.2 . 1 . . . . 227 SER CB . 18730 1 842 . 1 1 227 227 SER N N 15 115.759 0.2 . 1 . . . . 227 SER N . 18730 1 843 . 1 1 228 228 ALA H H 1 8.767 0.02 . 1 . . . . 228 ALA H . 18730 1 844 . 1 1 228 228 ALA C C 13 175.53 0.2 . 1 . . . . 228 ALA C . 18730 1 845 . 1 1 228 228 ALA CA C 13 53.76 0.2 . 1 . . . . 228 ALA CA . 18730 1 846 . 1 1 228 228 ALA CB C 13 18.7 0.2 . 1 . . . . 228 ALA CB . 18730 1 847 . 1 1 229 229 ILE H H 1 8.014 0.02 . 1 . . . . 229 ILE H . 18730 1 848 . 1 1 229 229 ILE C C 13 172.73 0.2 . 1 . . . . 229 ILE C . 18730 1 849 . 1 1 229 229 ILE CA C 13 62.57 0.2 . 1 . . . . 229 ILE CA . 18730 1 850 . 1 1 229 229 ILE CB C 13 35.6 0.2 . 1 . . . . 229 ILE CB . 18730 1 851 . 1 1 229 229 ILE N N 15 121.335 0.2 . 1 . . . . 229 ILE N . 18730 1 852 . 1 1 230 230 VAL H H 1 8.98 0.02 . 1 . . . . 230 VAL H . 18730 1 853 . 1 1 230 230 VAL C C 13 172.73 0.2 . 1 . . . . 230 VAL C . 18730 1 854 . 1 1 230 230 VAL CA C 13 65.6 0.2 . 1 . . . . 230 VAL CA . 18730 1 855 . 1 1 230 230 VAL CB C 13 31.56 0.2 . 1 . . . . 230 VAL CB . 18730 1 856 . 1 1 230 230 VAL N N 15 130.964 0.2 . 1 . . . . 230 VAL N . 18730 1 857 . 1 1 231 231 GLN H H 1 8.462 0.02 . 1 . . . . 231 GLN H . 18730 1 858 . 1 1 231 231 GLN C C 13 171.83 0.2 . 1 . . . . 231 GLN C . 18730 1 859 . 1 1 231 231 GLN CA C 13 54.05 0.2 . 1 . . . . 231 GLN CA . 18730 1 860 . 1 1 231 231 GLN CB C 13 32.74 0.2 . 1 . . . . 231 GLN CB . 18730 1 861 . 1 1 231 231 GLN N N 15 127.029 0.2 . 1 . . . . 231 GLN N . 18730 1 862 . 1 1 232 232 GLY H H 1 8.766 0.02 . 1 . . . . 232 GLY H . 18730 1 863 . 1 1 232 232 GLY C C 13 168.93 0.2 . 1 . . . . 232 GLY C . 18730 1 864 . 1 1 232 232 GLY CA C 13 44.31 0.2 . 1 . . . . 232 GLY CA . 18730 1 865 . 1 1 232 232 GLY N N 15 112.27 0.2 . 1 . . . . 232 GLY N . 18730 1 866 . 1 1 233 233 GLU H H 1 7.837 0.02 . 1 . . . . 233 GLU H . 18730 1 867 . 1 1 233 233 GLU C C 13 173.53 0.2 . 1 . . . . 233 GLU C . 18730 1 868 . 1 1 233 233 GLU CA C 13 55.59 0.2 . 1 . . . . 233 GLU CA . 18730 1 869 . 1 1 233 233 GLU N N 15 117.347 0.2 . 1 . . . . 233 GLU N . 18730 1 870 . 1 1 234 234 ARG H H 1 7.951 0.02 . 1 . . . . 234 ARG H . 18730 1 871 . 1 1 234 234 ARG C C 13 173.73 0.2 . 1 . . . . 234 ARG C . 18730 1 872 . 1 1 234 234 ARG CA C 13 56.4 0.2 . 1 . . . . 234 ARG CA . 18730 1 873 . 1 1 234 234 ARG CB C 13 29.86 0.2 . 1 . . . . 234 ARG CB . 18730 1 874 . 1 1 234 234 ARG N N 15 120.837 0.2 . 1 . . . . 234 ARG N . 18730 1 875 . 1 1 235 235 MET H H 1 8.569 0.02 . 1 . . . . 235 MET H . 18730 1 876 . 1 1 235 235 MET C C 13 172.03 0.2 . 1 . . . . 235 MET C . 18730 1 877 . 1 1 235 235 MET CA C 13 55 0.2 . 1 . . . . 235 MET CA . 18730 1 878 . 1 1 235 235 MET CB C 13 34.64 0.2 . 1 . . . . 235 MET CB . 18730 1 879 . 1 1 235 235 MET N N 15 126.625 0.2 . 1 . . . . 235 MET N . 18730 1 880 . 1 1 236 236 ASP H H 1 8.231 0.02 . 1 . . . . 236 ASP H . 18730 1 881 . 1 1 236 236 ASP C C 13 173.03 0.2 . 1 . . . . 236 ASP C . 18730 1 882 . 1 1 236 236 ASP CA C 13 54.14 0.2 . 1 . . . . 236 ASP CA . 18730 1 883 . 1 1 236 236 ASP CB C 13 41.91 0.2 . 1 . . . . 236 ASP CB . 18730 1 884 . 1 1 236 236 ASP N N 15 121.21 0.2 . 1 . . . . 236 ASP N . 18730 1 885 . 1 1 237 237 GLU H H 1 8.296 0.02 . 1 . . . . 237 GLU H . 18730 1 886 . 1 1 237 237 GLU C C 13 171.73 0.2 . 1 . . . . 237 GLU C . 18730 1 887 . 1 1 237 237 GLU CA C 13 54.61 0.2 . 1 . . . . 237 GLU CA . 18730 1 888 . 1 1 237 237 GLU N N 15 121.191 0.2 . 1 . . . . 237 GLU N . 18730 1 889 . 1 1 238 238 PRO C C 13 173.83 0.2 . 1 . . . . 238 PRO C . 18730 1 890 . 1 1 238 238 PRO CA C 13 62.97 0.2 . 1 . . . . 238 PRO CA . 18730 1 891 . 1 1 238 238 PRO CB C 13 31.45 0.2 . 1 . . . . 238 PRO CB . 18730 1 892 . 1 1 239 239 ILE H H 1 8.161 0.02 . 1 . . . . 239 ILE H . 18730 1 893 . 1 1 239 239 ILE C C 13 172.13 0.2 . 1 . . . . 239 ILE C . 18730 1 894 . 1 1 239 239 ILE CA C 13 58.77 0.2 . 1 . . . . 239 ILE CA . 18730 1 895 . 1 1 239 239 ILE N N 15 122.547 0.2 . 1 . . . . 239 ILE N . 18730 1 896 . 1 1 240 240 PRO C C 13 173.83 0.2 . 1 . . . . 240 PRO C . 18730 1 897 . 1 1 240 240 PRO CA C 13 63.23 0.2 . 1 . . . . 240 PRO CA . 18730 1 898 . 1 1 240 240 PRO CB C 13 31.51 0.2 . 1 . . . . 240 PRO CB . 18730 1 899 . 1 1 241 241 ALA H H 1 8.275 0.02 . 1 . . . . 241 ALA H . 18730 1 900 . 1 1 241 241 ALA C C 13 175.63 0.2 . 1 . . . . 241 ALA C . 18730 1 901 . 1 1 241 241 ALA CA C 13 52.82 0.2 . 1 . . . . 241 ALA CA . 18730 1 902 . 1 1 241 241 ALA CB C 13 18.92 0.2 . 1 . . . . 241 ALA CB . 18730 1 903 . 1 1 241 241 ALA N N 15 124.229 0.2 . 1 . . . . 241 ALA N . 18730 1 904 . 1 1 242 242 GLY H H 1 8.3 0.02 . 1 . . . . 242 GLY H . 18730 1 905 . 1 1 242 242 GLY C C 13 170.93 0.2 . 1 . . . . 242 GLY C . 18730 1 906 . 1 1 242 242 GLY CA C 13 45.27 0.2 . 1 . . . . 242 GLY CA . 18730 1 907 . 1 1 242 242 GLY N N 15 108.033 0.2 . 1 . . . . 242 GLY N . 18730 1 908 . 1 1 243 243 PHE H H 1 7.89 0.02 . 1 . . . . 243 PHE H . 18730 1 909 . 1 1 243 243 PHE C C 13 172.43 0.2 . 1 . . . . 243 PHE C . 18730 1 910 . 1 1 243 243 PHE CA C 13 57.75 0.2 . 1 . . . . 243 PHE CA . 18730 1 911 . 1 1 243 243 PHE CB C 13 39.54 0.2 . 1 . . . . 243 PHE CB . 18730 1 912 . 1 1 243 243 PHE N N 15 119.596 0.2 . 1 . . . . 243 PHE N . 18730 1 913 . 1 1 244 244 GLU H H 1 8.189 0.02 . 1 . . . . 244 GLU H . 18730 1 914 . 1 1 244 244 GLU C C 13 171.23 0.2 . 1 . . . . 244 GLU C . 18730 1 915 . 1 1 244 244 GLU CA C 13 54.13 0.2 . 1 . . . . 244 GLU CA . 18730 1 916 . 1 1 244 244 GLU N N 15 124.245 0.2 . 1 . . . . 244 GLU N . 18730 1 917 . 1 1 245 245 PRO C C 13 174.13 0.2 . 1 . . . . 245 PRO C . 18730 1 918 . 1 1 245 245 PRO CA C 13 63.26 0.2 . 1 . . . . 245 PRO CA . 18730 1 919 . 1 1 245 245 PRO CB C 13 31.57 0.2 . 1 . . . . 245 PRO CB . 18730 1 920 . 1 1 246 246 GLU H H 1 8.401 0.02 . 1 . . . . 246 GLU H . 18730 1 921 . 1 1 246 246 GLU C C 13 173.63 0.2 . 1 . . . . 246 GLU C . 18730 1 922 . 1 1 246 246 GLU CA C 13 56.82 0.2 . 1 . . . . 246 GLU CA . 18730 1 923 . 1 1 246 246 GLU CB C 13 29.74 0.2 . 1 . . . . 246 GLU CB . 18730 1 924 . 1 1 246 246 GLU N N 15 120.156 0.2 . 1 . . . . 246 GLU N . 18730 1 925 . 1 1 247 247 MET H H 1 8.243 0.02 . 1 . . . . 247 MET H . 18730 1 926 . 1 1 247 247 MET C C 13 172.23 0.2 . 1 . . . . 247 MET C . 18730 1 927 . 1 1 247 247 MET CA C 13 55.38 0.2 . 1 . . . . 247 MET CA . 18730 1 928 . 1 1 247 247 MET CB C 13 32.43 0.2 . 1 . . . . 247 MET CB . 18730 1 929 . 1 1 247 247 MET N N 15 121.869 0.2 . 1 . . . . 247 MET N . 18730 1 930 . 1 1 248 248 LEU H H 1 7.754 0.02 . 1 . . . . 248 LEU H . 18730 1 931 . 1 1 248 248 LEU C C 13 179.63 0.2 . 1 . . . . 248 LEU C . 18730 1 932 . 1 1 248 248 LEU CA C 13 56.82 0.2 . 1 . . . . 248 LEU CA . 18730 1 933 . 1 1 248 248 LEU N N 15 129.251 0.2 . 1 . . . . 248 LEU N . 18730 1 stop_ save_