data_18266 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18266 _Entry.Title ; Backbone assignment of Dengue Virus NS2B/NS3 in complex with Aprotinin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-02-15 _Entry.Accession_date 2012-02-15 _Entry.Last_release_date . _Entry.Original_release_date . _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 Yunchen Bi . . . 18266 2 Lei Zhu . . . 18266 3 Junfeng Wang . . . 18266 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18266 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 530 18266 '15N chemical shifts' 172 18266 '1H chemical shifts' 172 18266 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-24 2012-02-15 update BMRB 'update entry citation' 18266 1 . . 2012-06-05 2012-02-15 original author 'original release' 18266 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18266 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22623057 _Citation.Full_citation . _Citation.Title 'Backbone 1H, 13C and 15N resonance assignments of dengue virus NS2B-NS3p in complex with aprotinin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _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 139 _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 Yunchen Bi . . . 18266 1 2 Lei Zhu . . . 18266 1 3 Hua Li . . . 18266 1 4 Bo Wu . . . 18266 1 5 Jinsong Liu . . . 18266 1 6 Junfeng Wang . . . 18266 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18266 _Assembly.ID 1 _Assembly.Name 'Dengue Virus NS2B/NS3 in complex with Aprotinin' _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 'Dengue Virus NS2B/NS3' 1 $entity A . yes native no no . . . 18266 1 2 Aprotinin 2 $Aprotinin B . no native no no . . . 18266 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18266 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMLEADLELERAADVRWE EQAEISGSSPILSITISEDG SMSIKNEEEEQTLGGGGSGG GGAGVLWDVPSPPPVGKAEL EDGAYRIKQKGILGYSQIGA GVYKEGTFHTMWHVTRGAVL MHKGKRIEPSWADVKKDLIS YGGGWKLEGEWKEGEEVQVL ALEPGKNPRAVQTKPGLFKT NTGTIGAVSLDFSPGTSGSP IVDKKGKVVGLYGNGVVTRS GAYVSAIAQTEKSIEDNPEI EDDIFRK ; _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 247 _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 BMRB 19080 . NS3pro . . . . . 69.64 186 98.84 99.42 8.20e-117 . . . . 18266 1 2 no BMRB 19305 . entity_1 . . . . . 95.95 240 97.47 98.73 1.36e-159 . . . . 18266 1 3 no BMRB 19306 . entity_1 . . . . . 95.95 244 97.47 98.73 8.30e-160 . . . . 18266 1 4 no PDB 2FOM . "Dengue Virus Ns2bNS3 PROTEASE" . . . . . 74.90 185 99.46 99.46 2.38e-127 . . . . 18266 1 5 no PDB 2M9P . "Nmr Structure Of An Inhibitor Bound Dengue Ns3 Protease" . . . . . 95.95 240 97.47 98.73 1.36e-159 . . . . 18266 1 6 no PDB 2M9Q . "Nmr Structure Of An Inhibitor Bound Dengue Ns3 Protease" . . . . . 95.95 240 97.47 98.73 1.36e-159 . . . . 18266 1 7 no PDB 4M9F . "Dengue Virus Ns2b-ns3 Protease A125c Variant At Ph 8.5" . . . . . 100.00 247 99.19 99.19 1.54e-172 . . . . 18266 1 8 no PDB 4M9I . "A125c Ns2b-ns3 Protease From Dengue Virus At Ph 5.5" . . . . . 100.00 247 99.19 99.19 1.54e-172 . . . . 18266 1 9 no PDB 4M9K . "Ns2b-ns3 Protease From Dengue Virus At Ph 5.5" . . . . . 100.00 247 99.60 99.60 4.78e-173 . . . . 18266 1 10 no PDB 4M9M . "Ns2b-ns3 Protease From Dengue Virus At Ph 8.5" . . . . . 100.00 247 99.60 99.60 4.78e-173 . . . . 18266 1 11 no PDB 4M9T . "Ns2b-ns3 Protease From Dengue Virus In The Presence Of Dtnb, A Covalent Allosteric Inhibitor" . . . . . 100.00 247 99.19 99.19 1.54e-172 . . . . 18266 1 12 no EMBL CAA40704 . "non-structural protein 3, partial [Dengue virus 2]" . . . . . 74.90 618 99.46 100.00 1.01e-123 . . . . 18266 1 13 no GB AHG23115 . "polyprotein, partial [Dengue virus 2]" . . . . . 74.90 3378 97.84 100.00 1.68e-115 . . . . 18266 1 14 no GB AIC36825 . "nonstructural protein NS3, partial [Dengue virus 2]" . . . . . 74.90 618 98.92 99.46 5.90e-123 . . . . 18266 1 15 no GB AIE47697 . "non-structural protein 3, partial [Dengue virus 2]" . . . . . 74.90 618 98.92 99.46 5.90e-123 . . . . 18266 1 16 no GB AIE47698 . "non-structural protein 3, partial [Dengue virus 2]" . . . . . 74.90 618 98.92 99.46 3.96e-123 . . . . 18266 1 17 no GB AIE47699 . "non-structural protein 3, partial [Dengue virus 2]" . . . . . 74.90 618 98.92 99.46 5.90e-123 . . . . 18266 1 18 no REF NP_739587 . "Nonstructural protein NS3 [Dengue virus 2]" . . . . . 74.90 618 98.38 99.46 1.61e-122 . . . . 18266 1 19 no SP P27914 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Envelope protein E; Contains: RecName: Full=Non-structural protein 1;" . . . . . 74.90 1683 99.46 100.00 7.35e-118 . . . . 18266 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 . GLY . 18266 1 2 . SER . 18266 1 3 . HIS . 18266 1 4 . MET . 18266 1 5 . LEU . 18266 1 6 . GLU . 18266 1 7 . ALA . 18266 1 8 . ASP . 18266 1 9 . LEU . 18266 1 10 . GLU . 18266 1 11 . LEU . 18266 1 12 . GLU . 18266 1 13 . ARG . 18266 1 14 . ALA . 18266 1 15 . ALA . 18266 1 16 . ASP . 18266 1 17 . VAL . 18266 1 18 . ARG . 18266 1 19 . TRP . 18266 1 20 . GLU . 18266 1 21 . GLU . 18266 1 22 . GLN . 18266 1 23 . ALA . 18266 1 24 . GLU . 18266 1 25 . ILE . 18266 1 26 . SER . 18266 1 27 . GLY . 18266 1 28 . SER . 18266 1 29 . SER . 18266 1 30 . PRO . 18266 1 31 . ILE . 18266 1 32 . LEU . 18266 1 33 . SER . 18266 1 34 . ILE . 18266 1 35 . THR . 18266 1 36 . ILE . 18266 1 37 . SER . 18266 1 38 . GLU . 18266 1 39 . ASP . 18266 1 40 . GLY . 18266 1 41 . SER . 18266 1 42 . MET . 18266 1 43 . SER . 18266 1 44 . ILE . 18266 1 45 . LYS . 18266 1 46 . ASN . 18266 1 47 . GLU . 18266 1 48 . GLU . 18266 1 49 . GLU . 18266 1 50 . GLU . 18266 1 51 . GLN . 18266 1 52 . THR . 18266 1 53 . LEU . 18266 1 54 . GLY . 18266 1 55 . GLY . 18266 1 56 . GLY . 18266 1 57 . GLY . 18266 1 58 . SER . 18266 1 59 . GLY . 18266 1 60 . GLY . 18266 1 61 . GLY . 18266 1 62 . GLY . 18266 1 63 . ALA . 18266 1 64 . GLY . 18266 1 65 . VAL . 18266 1 66 . LEU . 18266 1 67 . TRP . 18266 1 68 . ASP . 18266 1 69 . VAL . 18266 1 70 . PRO . 18266 1 71 . SER . 18266 1 72 . PRO . 18266 1 73 . PRO . 18266 1 74 . PRO . 18266 1 75 . VAL . 18266 1 76 . GLY . 18266 1 77 . LYS . 18266 1 78 . ALA . 18266 1 79 . GLU . 18266 1 80 . LEU . 18266 1 81 . GLU . 18266 1 82 . ASP . 18266 1 83 . GLY . 18266 1 84 . ALA . 18266 1 85 . TYR . 18266 1 86 . ARG . 18266 1 87 . ILE . 18266 1 88 . LYS . 18266 1 89 . GLN . 18266 1 90 . LYS . 18266 1 91 . GLY . 18266 1 92 . ILE . 18266 1 93 . LEU . 18266 1 94 . GLY . 18266 1 95 . TYR . 18266 1 96 . SER . 18266 1 97 . GLN . 18266 1 98 . ILE . 18266 1 99 . GLY . 18266 1 100 . ALA . 18266 1 101 . GLY . 18266 1 102 . VAL . 18266 1 103 . TYR . 18266 1 104 . LYS . 18266 1 105 . GLU . 18266 1 106 . GLY . 18266 1 107 . THR . 18266 1 108 . PHE . 18266 1 109 . HIS . 18266 1 110 . THR . 18266 1 111 . MET . 18266 1 112 . TRP . 18266 1 113 . HIS . 18266 1 114 . VAL . 18266 1 115 . THR . 18266 1 116 . ARG . 18266 1 117 . GLY . 18266 1 118 . ALA . 18266 1 119 . VAL . 18266 1 120 . LEU . 18266 1 121 . MET . 18266 1 122 . HIS . 18266 1 123 . LYS . 18266 1 124 . GLY . 18266 1 125 . LYS . 18266 1 126 . ARG . 18266 1 127 . ILE . 18266 1 128 . GLU . 18266 1 129 . PRO . 18266 1 130 . SER . 18266 1 131 . TRP . 18266 1 132 . ALA . 18266 1 133 . ASP . 18266 1 134 . VAL . 18266 1 135 . LYS . 18266 1 136 . LYS . 18266 1 137 . ASP . 18266 1 138 . LEU . 18266 1 139 . ILE . 18266 1 140 . SER . 18266 1 141 . TYR . 18266 1 142 . GLY . 18266 1 143 . GLY . 18266 1 144 . GLY . 18266 1 145 . TRP . 18266 1 146 . LYS . 18266 1 147 . LEU . 18266 1 148 . GLU . 18266 1 149 . GLY . 18266 1 150 . GLU . 18266 1 151 . TRP . 18266 1 152 . LYS . 18266 1 153 . GLU . 18266 1 154 . GLY . 18266 1 155 . GLU . 18266 1 156 . GLU . 18266 1 157 . VAL . 18266 1 158 . GLN . 18266 1 159 . VAL . 18266 1 160 . LEU . 18266 1 161 . ALA . 18266 1 162 . LEU . 18266 1 163 . GLU . 18266 1 164 . PRO . 18266 1 165 . GLY . 18266 1 166 . LYS . 18266 1 167 . ASN . 18266 1 168 . PRO . 18266 1 169 . ARG . 18266 1 170 . ALA . 18266 1 171 . VAL . 18266 1 172 . GLN . 18266 1 173 . THR . 18266 1 174 . LYS . 18266 1 175 . PRO . 18266 1 176 . GLY . 18266 1 177 . LEU . 18266 1 178 . PHE . 18266 1 179 . LYS . 18266 1 180 . THR . 18266 1 181 . ASN . 18266 1 182 . THR . 18266 1 183 . GLY . 18266 1 184 . THR . 18266 1 185 . ILE . 18266 1 186 . GLY . 18266 1 187 . ALA . 18266 1 188 . VAL . 18266 1 189 . SER . 18266 1 190 . LEU . 18266 1 191 . ASP . 18266 1 192 . PHE . 18266 1 193 . SER . 18266 1 194 . PRO . 18266 1 195 . GLY . 18266 1 196 . THR . 18266 1 197 . SER . 18266 1 198 . GLY . 18266 1 199 . SER . 18266 1 200 . PRO . 18266 1 201 . ILE . 18266 1 202 . VAL . 18266 1 203 . ASP . 18266 1 204 . LYS . 18266 1 205 . LYS . 18266 1 206 . GLY . 18266 1 207 . LYS . 18266 1 208 . VAL . 18266 1 209 . VAL . 18266 1 210 . GLY . 18266 1 211 . LEU . 18266 1 212 . TYR . 18266 1 213 . GLY . 18266 1 214 . ASN . 18266 1 215 . GLY . 18266 1 216 . VAL . 18266 1 217 . VAL . 18266 1 218 . THR . 18266 1 219 . ARG . 18266 1 220 . SER . 18266 1 221 . GLY . 18266 1 222 . ALA . 18266 1 223 . TYR . 18266 1 224 . VAL . 18266 1 225 . SER . 18266 1 226 . ALA . 18266 1 227 . ILE . 18266 1 228 . ALA . 18266 1 229 . GLN . 18266 1 230 . THR . 18266 1 231 . GLU . 18266 1 232 . LYS . 18266 1 233 . SER . 18266 1 234 . ILE . 18266 1 235 . GLU . 18266 1 236 . ASP . 18266 1 237 . ASN . 18266 1 238 . PRO . 18266 1 239 . GLU . 18266 1 240 . ILE . 18266 1 241 . GLU . 18266 1 242 . ASP . 18266 1 243 . ASP . 18266 1 244 . ILE . 18266 1 245 . PHE . 18266 1 246 . ARG . 18266 1 247 . LYS . 18266 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18266 1 . SER 2 2 18266 1 . HIS 3 3 18266 1 . MET 4 4 18266 1 . LEU 5 5 18266 1 . GLU 6 6 18266 1 . ALA 7 7 18266 1 . ASP 8 8 18266 1 . LEU 9 9 18266 1 . GLU 10 10 18266 1 . LEU 11 11 18266 1 . GLU 12 12 18266 1 . ARG 13 13 18266 1 . ALA 14 14 18266 1 . ALA 15 15 18266 1 . ASP 16 16 18266 1 . VAL 17 17 18266 1 . ARG 18 18 18266 1 . TRP 19 19 18266 1 . GLU 20 20 18266 1 . GLU 21 21 18266 1 . GLN 22 22 18266 1 . ALA 23 23 18266 1 . GLU 24 24 18266 1 . ILE 25 25 18266 1 . SER 26 26 18266 1 . GLY 27 27 18266 1 . SER 28 28 18266 1 . SER 29 29 18266 1 . PRO 30 30 18266 1 . ILE 31 31 18266 1 . LEU 32 32 18266 1 . SER 33 33 18266 1 . ILE 34 34 18266 1 . THR 35 35 18266 1 . ILE 36 36 18266 1 . SER 37 37 18266 1 . GLU 38 38 18266 1 . ASP 39 39 18266 1 . GLY 40 40 18266 1 . SER 41 41 18266 1 . MET 42 42 18266 1 . SER 43 43 18266 1 . ILE 44 44 18266 1 . LYS 45 45 18266 1 . ASN 46 46 18266 1 . GLU 47 47 18266 1 . GLU 48 48 18266 1 . GLU 49 49 18266 1 . GLU 50 50 18266 1 . GLN 51 51 18266 1 . THR 52 52 18266 1 . LEU 53 53 18266 1 . GLY 54 54 18266 1 . GLY 55 55 18266 1 . GLY 56 56 18266 1 . GLY 57 57 18266 1 . SER 58 58 18266 1 . GLY 59 59 18266 1 . GLY 60 60 18266 1 . GLY 61 61 18266 1 . GLY 62 62 18266 1 . ALA 63 63 18266 1 . GLY 64 64 18266 1 . VAL 65 65 18266 1 . LEU 66 66 18266 1 . TRP 67 67 18266 1 . ASP 68 68 18266 1 . VAL 69 69 18266 1 . PRO 70 70 18266 1 . SER 71 71 18266 1 . PRO 72 72 18266 1 . PRO 73 73 18266 1 . PRO 74 74 18266 1 . VAL 75 75 18266 1 . GLY 76 76 18266 1 . LYS 77 77 18266 1 . ALA 78 78 18266 1 . GLU 79 79 18266 1 . LEU 80 80 18266 1 . GLU 81 81 18266 1 . ASP 82 82 18266 1 . GLY 83 83 18266 1 . ALA 84 84 18266 1 . TYR 85 85 18266 1 . ARG 86 86 18266 1 . ILE 87 87 18266 1 . LYS 88 88 18266 1 . GLN 89 89 18266 1 . LYS 90 90 18266 1 . GLY 91 91 18266 1 . ILE 92 92 18266 1 . LEU 93 93 18266 1 . GLY 94 94 18266 1 . TYR 95 95 18266 1 . SER 96 96 18266 1 . GLN 97 97 18266 1 . ILE 98 98 18266 1 . GLY 99 99 18266 1 . ALA 100 100 18266 1 . GLY 101 101 18266 1 . VAL 102 102 18266 1 . TYR 103 103 18266 1 . LYS 104 104 18266 1 . GLU 105 105 18266 1 . GLY 106 106 18266 1 . THR 107 107 18266 1 . PHE 108 108 18266 1 . HIS 109 109 18266 1 . THR 110 110 18266 1 . MET 111 111 18266 1 . TRP 112 112 18266 1 . HIS 113 113 18266 1 . VAL 114 114 18266 1 . THR 115 115 18266 1 . ARG 116 116 18266 1 . GLY 117 117 18266 1 . ALA 118 118 18266 1 . VAL 119 119 18266 1 . LEU 120 120 18266 1 . MET 121 121 18266 1 . HIS 122 122 18266 1 . LYS 123 123 18266 1 . GLY 124 124 18266 1 . LYS 125 125 18266 1 . ARG 126 126 18266 1 . ILE 127 127 18266 1 . GLU 128 128 18266 1 . PRO 129 129 18266 1 . SER 130 130 18266 1 . TRP 131 131 18266 1 . ALA 132 132 18266 1 . ASP 133 133 18266 1 . VAL 134 134 18266 1 . LYS 135 135 18266 1 . LYS 136 136 18266 1 . ASP 137 137 18266 1 . LEU 138 138 18266 1 . ILE 139 139 18266 1 . SER 140 140 18266 1 . TYR 141 141 18266 1 . GLY 142 142 18266 1 . GLY 143 143 18266 1 . GLY 144 144 18266 1 . TRP 145 145 18266 1 . LYS 146 146 18266 1 . LEU 147 147 18266 1 . GLU 148 148 18266 1 . GLY 149 149 18266 1 . GLU 150 150 18266 1 . TRP 151 151 18266 1 . LYS 152 152 18266 1 . GLU 153 153 18266 1 . GLY 154 154 18266 1 . GLU 155 155 18266 1 . GLU 156 156 18266 1 . VAL 157 157 18266 1 . GLN 158 158 18266 1 . VAL 159 159 18266 1 . LEU 160 160 18266 1 . ALA 161 161 18266 1 . LEU 162 162 18266 1 . GLU 163 163 18266 1 . PRO 164 164 18266 1 . GLY 165 165 18266 1 . LYS 166 166 18266 1 . ASN 167 167 18266 1 . PRO 168 168 18266 1 . ARG 169 169 18266 1 . ALA 170 170 18266 1 . VAL 171 171 18266 1 . GLN 172 172 18266 1 . THR 173 173 18266 1 . LYS 174 174 18266 1 . PRO 175 175 18266 1 . GLY 176 176 18266 1 . LEU 177 177 18266 1 . PHE 178 178 18266 1 . LYS 179 179 18266 1 . THR 180 180 18266 1 . ASN 181 181 18266 1 . THR 182 182 18266 1 . GLY 183 183 18266 1 . THR 184 184 18266 1 . ILE 185 185 18266 1 . GLY 186 186 18266 1 . ALA 187 187 18266 1 . VAL 188 188 18266 1 . SER 189 189 18266 1 . LEU 190 190 18266 1 . ASP 191 191 18266 1 . PHE 192 192 18266 1 . SER 193 193 18266 1 . PRO 194 194 18266 1 . GLY 195 195 18266 1 . THR 196 196 18266 1 . SER 197 197 18266 1 . GLY 198 198 18266 1 . SER 199 199 18266 1 . PRO 200 200 18266 1 . ILE 201 201 18266 1 . VAL 202 202 18266 1 . ASP 203 203 18266 1 . LYS 204 204 18266 1 . LYS 205 205 18266 1 . GLY 206 206 18266 1 . LYS 207 207 18266 1 . VAL 208 208 18266 1 . VAL 209 209 18266 1 . GLY 210 210 18266 1 . LEU 211 211 18266 1 . TYR 212 212 18266 1 . GLY 213 213 18266 1 . ASN 214 214 18266 1 . GLY 215 215 18266 1 . VAL 216 216 18266 1 . VAL 217 217 18266 1 . THR 218 218 18266 1 . ARG 219 219 18266 1 . SER 220 220 18266 1 . GLY 221 221 18266 1 . ALA 222 222 18266 1 . TYR 223 223 18266 1 . VAL 224 224 18266 1 . SER 225 225 18266 1 . ALA 226 226 18266 1 . ILE 227 227 18266 1 . ALA 228 228 18266 1 . GLN 229 229 18266 1 . THR 230 230 18266 1 . GLU 231 231 18266 1 . LYS 232 232 18266 1 . SER 233 233 18266 1 . ILE 234 234 18266 1 . GLU 235 235 18266 1 . ASP 236 236 18266 1 . ASN 237 237 18266 1 . PRO 238 238 18266 1 . GLU 239 239 18266 1 . ILE 240 240 18266 1 . GLU 241 241 18266 1 . ASP 242 242 18266 1 . ASP 243 243 18266 1 . ILE 244 244 18266 1 . PHE 245 245 18266 1 . ARG 246 246 18266 1 . LYS 247 247 18266 1 stop_ save_ save_Aprotinin _Entity.Sf_category entity _Entity.Sf_framecode Aprotinin _Entity.Entry_ID 18266 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Aprotinin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RPDFCLEPPYTGPCKARIIR YFYNAKAGLCQTFVYGGCRA KRNNFKSAEDCMRTCGGA ; _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 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _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 ; The aprotinin is the bovine version of the small protein basic pancreatic trypsin inhibitor, or BPTI, which inhibits trypsin and related proteolytic enzymes. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 BMRB 1039 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 2 no BMRB 1156 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 3 no BMRB 1179 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 4 no BMRB 236 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 5 no BMRB 237 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 6 no BMRB 262 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 7 no BMRB 263 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 8 no BMRB 264 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 9 no BMRB 338 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 10 no BMRB 411 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 11 no BMRB 412 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 12 no BMRB 413 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 13 no BMRB 414 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 14 no BMRB 415 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 15 no BMRB 416 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 16 no BMRB 419 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 17 no BMRB 45 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 18 no BMRB 46 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 19 no BMRB 48 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 20 no BMRB 485 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 21 no BMRB 4868 . BPTI-R52 . . . . . 100.00 58 98.28 98.28 1.28e-32 . . . . 18266 2 22 no BMRB 49 . "basic pancreatic trypsin inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 23 no BMRB 4968 . BPTI_monomer . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 24 no BMRB 5171 . BPTI_G37A . . . . . 100.00 58 98.28 98.28 3.84e-33 . . . . 18266 2 25 no BMRB 5307 . "Basic Pancreatic Trypsin Inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 26 no BMRB 5358 . BPTI . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 27 no BMRB 5359 . BPTI . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 28 no PDB 1B0C . "Evidence Of A Common Decamer In Three Crystal Structures Of Bpti, Crystallized From Thiocyanate, Chloride Or Sulfate" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 29 no PDB 1BHC . "Bovine Pancreatic Trypsin Inhibitor Crystallized From Thiocyanate" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 30 no PDB 1BPI . "The Structure Of Bovine Pancreatic Trypsin Inhibitor At 125k: Definition Of Carboxyl-Terminal Residues Glycine-57 And Alanine-5" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 31 no PDB 1BPT . "Crevice-Forming Mutants Of Bpti: Crystal Structures Of F22a, Y23a, N43g, And F45a" . . . . . 100.00 58 98.28 98.28 9.77e-33 . . . . 18266 2 32 no PDB 1BTH . "Structure Of Thrombin Complexed With Bovine Pancreatic Trypsin Inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 33 no PDB 1BTI . "Crevice-Forming Mutants In The Rigid Core Of Bovine Pancreatic Trypsin Inhibitor: Crystal Structures Of F22a, Y23a, N43g, And F" . . . . . 100.00 58 98.28 98.28 9.87e-33 . . . . 18266 2 34 no PDB 1BZ5 . "Evidence Of A Common Decamer In Three Crystal Structures Of Bpti, Crystallize From Thiocyanate, Chloride Or Sulfate" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 35 no PDB 1BZX . "The Crystal Structure Of Anionic Salmon Trypsin In Complex With Bovine Pancreatic Trypsin Inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 36 no PDB 1CBW . "Bovine Chymotrypsin Complexed To Bpti" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 37 no PDB 1CO7 . "R117h Mutant Rat Anionic Trypsin Complexed With Bovine Pancreatic Trypsin Inhibitor (Bpti)" . . . . . 100.00 99 100.00 100.00 1.53e-34 . . . . 18266 2 38 no PDB 1D0D . "Crystal Structure Of Tick Anticoagulant Protein Complexed With Bovine Pancreatic Trypsin Inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 39 no PDB 1EAW . "Crystal Structure Of The Mtsp1 (Matriptase)-Bpti (Aprotinin) Complex" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 40 no PDB 1F5R . "Rat Trypsinogen Mutant Complexed With Bovine Pancreatic Trypsin Inhibitor" . . . . . 100.00 65 100.00 100.00 9.12e-34 . . . . 18266 2 41 no PDB 1F7Z . "Rat Trypsinogen K15a Complexed With Bovine Pancreatic Trypsin Inhibitor" . . . . . 100.00 65 100.00 100.00 9.12e-34 . . . . 18266 2 42 no PDB 1FAN . "Crevice-Forming Mutants In The Rigid Core Of Bovine Pancreatic Trypsin Inhibitor: Crystal Structures Of F22a, Y23a, N43g, And F" . . . . . 100.00 58 98.28 98.28 9.87e-33 . . . . 18266 2 43 no PDB 1FY8 . "Crystal Structure Of The Deltaile16val17 Rat Anionic Trypsinogen-Bpti Complex" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 44 no PDB 1JV8 . "Nmr Structure Of Bpti Mutant G37a" . . . . . 100.00 58 98.28 98.28 3.84e-33 . . . . 18266 2 45 no PDB 1JV9 . "Nmr Structure Of Bpti Mutant G37a" . . . . . 100.00 58 98.28 98.28 3.84e-33 . . . . 18266 2 46 no PDB 1MTN . "Bovine Alpha-Chymotrypsin:bpti Crystallization" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 47 no PDB 1NAG . "Crevice-forming Mutants In The Rigid Core Of Bovine Pancreatic Trypsin Inhibitor: Crystal Structures Of F22a, Y23a, N43g, And F" . . . . . 100.00 58 98.28 98.28 7.69e-33 . . . . 18266 2 48 no PDB 1OA5 . "The Solution Structure Of Bovine Pancreatic Trypsin Inhibitor At High Pressure" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 49 no PDB 1OA6 . "The Solution Structure Of Bovine Pancreatic Trypsin Inhibitor At High Pressure" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 50 no PDB 1PIT . "Determination Of A High-Quality Nuclear Magnetic Resonance Solution Structure Of The Bovine Pancreatic Trypsin Inhibitor And Co" . . . . . 98.28 58 100.00 100.00 4.62e-33 . . . . 18266 2 51 no PDB 1TPA . "The Geometry Of The Reactive Site And Of The Peptide Groups In Trypsin, Trypsinogen And Its Complexes With Inhibitors" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 52 no PDB 1UUA . "Solution Structure Of A Truncated Bovine Pancreatic Trypsin Inhibitor, 3-58 Bpti" . . . . . 96.55 56 100.00 100.00 3.58e-32 . . . . 18266 2 53 no PDB 1YKT . "TrypsinBPTI COMPLEX MUTANT" . . . . . 96.55 56 100.00 100.00 2.17e-32 . . . . 18266 2 54 no PDB 2FI4 . "Crystal Structure Of A Bpti Variant (Cys14->ser) In Complex With Trypsin" . . . . . 100.00 58 98.28 98.28 6.97e-33 . . . . 18266 2 55 no PDB 2FI5 . "Crystal Structure Of A Bpti Variant (Cys38->ser) In Complex With Trypsin" . . . . . 100.00 58 98.28 98.28 6.97e-33 . . . . 18266 2 56 no PDB 2FTL . "Crystal Structure Of Trypsin Complexed With Bpti At 100k" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 57 no PDB 2FTM . "Crystal Structure Of Trypsin Complexed With The Bpti Variant (Tyr35- >gly)" . . . . . 100.00 58 98.28 98.28 1.87e-32 . . . . 18266 2 58 no PDB 2HEX . "Decamers Observed In The Crystals Of Bovine Pancreatic Trypsin Inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 59 no PDB 2IJO . "Crystal Structure Of The West Nile Virus Ns2b-Ns3 Protease Complexed With Bovine Pancreatic Trypsin Inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 60 no PDB 2KAI . "Refined 2.5 Angstroms X-Ray Crystal Structure Of The Complex Formed By Porcine Kallikrein A And The Bovine Pancreatic Trypsin I" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 61 no PDB 2PTC . "The Geometry Of The Reactive Site And Of The Peptide Groups In Trypsin, Trypsinogen And Its Complexes With Inhibitors" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 62 no PDB 2R9P . "Human Mesotrypsin Complexed With Bovine Pancreatic Trypsin Inhibitor(Bpti)" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 63 no PDB 2RA3 . "Human Cationic Trypsin Complexed With Bovine Pancreatic Trypsin Inhibitor (bpti)" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 64 no PDB 2TGP . "The Geometry Of The Reactive Site And Of The Peptide Groups In Trypsin, Trypsinogen And Its Complexes With Inhibitors" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 65 no PDB 2TPI . "On The Disordered Activation Domain In Trypsinogen. Chemical Labelling And Low-Temperature Crystallography" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 66 no PDB 3BTK . "The Crystal Structures Of The Complexes Between Bovine Beta- Trypsin And Ten P1 Variants Of Bpti" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 67 no PDB 3FP6 . "Anionic Trypsin In Complex With Bovine Pancreatic Trypsin Inhibitor (Bpti) Determined To The 1.49 A Resolution Limit" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 68 no PDB 3FP7 . "Anionic Trypsin Variant S195a In Complex With Bovine Pancreatic Trypsin Inhibitor (Bpti) Cleaved At The Scissile Bond (Lys15-Al" . . . . . 74.14 43 100.00 100.00 1.76e-21 . . . . 18266 2 69 no PDB 3FP8 . "Anionic Trypsin Variant S195a In Complex With Bovine Pancreatic Trypsin Inhibitor (Bpti) Determined To The 1.46 A Resolution Li" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 70 no PDB 3GYM . "Structure Of Prostasin In Complex With Aprotinin" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 71 no PDB 3LDI . "Crystal Structure Of Aprotinin In Complex With Sucrose Octasulfate: Unusual Interactions And Implication For Heparin Binding" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 72 no PDB 3LDJ . "Crystal Structure Of Aprotinin In Complex With Sucrose Octasulfate: Unusual Interactions And Implication For Heparin Binding" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 73 no PDB 3LDM . "Crystal Structure Of Aprotinin In Complex With Sucrose Octasulfate: Unusual Interactions And Implication For Heparin Binding" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 74 no PDB 3OTJ . "A Crystal Structure Of Trypsin Complexed With Bpti (Bovine Pancreatic Trypsin Inhibitor) By X-RayNEUTRON JOINT REFINEMENT" . . . . . 98.28 58 100.00 100.00 4.62e-33 . . . . 18266 2 75 no PDB 3TGI . "Wild-Type Rat Anionic Trypsin Complexed With Bovine Pancreatic Trypsin Inhibitor (Bpti)" . . . . . 100.00 65 100.00 100.00 9.12e-34 . . . . 18266 2 76 no PDB 3TGJ . "S195a Trypsinogen Complexed With Bovine Pancreatic Trypsin Inhibitor (Bpti)" . . . . . 100.00 65 100.00 100.00 9.12e-34 . . . . 18266 2 77 no PDB 3TGK . "Trypsinogen Mutant D194n And Deletion Of Ile 16-Val 17 Complexed With Bovine Pancreatic Trypsin Inhibitor (Bpti)" . . . . . 100.00 65 100.00 100.00 9.12e-34 . . . . 18266 2 78 no PDB 3TPI . "The Geometry Of The Reactive Site And Of The Peptide Groups In Trypsin, Trypsinogen And Its Complexes With Inhibitors" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 79 no PDB 3U1J . "Aprotinin Bound To Dengue Virus Protease" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 80 no PDB 4BNR . "Extremely Stable Complex Of Crayfish Trypsin With Bovine Trypsin Inhibitor" . . . . . 100.00 100 100.00 100.00 1.36e-34 . . . . 18266 2 81 no PDB 4DG4 . "Human Mesotrypsin-s39y Complexed With Bovine Pancreatic Trypsin Inhibitor (bpti)" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 82 no PDB 4PTI . "The Geometry Of The Reactive Site And Of The Peptide Groups In Trypsin, Trypsinogen And Its Complexes With Inhibitors" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 83 no PDB 4TPI . "The Refined 2.2-angstroms (0.22-nm) X-ray Crystal Structure Of The Ternary Complex Formed By Bovine Trypsinogen, Valine-valine " . . . . . 100.00 58 98.28 100.00 2.77e-33 . . . . 18266 2 84 no PDB 5PTI . "Structure Of Bovine Pancreatic Trypsin Inhibitor. Results Of Joint Neutron And X-Ray Refinement Of Crystal Form Ii" . . . . . 98.28 58 100.00 100.00 4.62e-33 . . . . 18266 2 85 no PDB 6PTI . "Structure Of Form Iii Crystals Of Bovine Pancreatic Trypsin Inhibitor" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 86 no PDB 8PTI . "Crystal Structure Of A Y35g Mutant Of Bovine Pancreatic Trypsin Inhibitor" . . . . . 100.00 58 98.28 98.28 1.87e-32 . . . . 18266 2 87 no PDB 9PTI . "Basic Pancreatic Trypsin Inhibitor (met 52 Oxidized)" . . . . . 100.00 58 98.28 98.28 1.05e-32 . . . . 18266 2 88 no EMBL CAA27062 . "unnamed protein product [Bos taurus]" . . . . . 100.00 89 100.00 100.00 1.02e-33 . . . . 18266 2 89 no EMBL CAA27063 . "unnamed protein product [Bos taurus]" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 90 no EMBL CAA28371 . "unnamed protein product [synthetic construct]" . . . . . 100.00 59 100.00 100.00 7.71e-34 . . . . 18266 2 91 no EMBL CAA28886 . "trypsin ihibitor precursor [Bos taurus]" . . . . . 100.00 92 100.00 100.00 1.69e-34 . . . . 18266 2 92 no EMBL CAA37967 . "aprotinin [synthetic construct]" . . . . . 100.00 59 100.00 100.00 9.89e-34 . . . . 18266 2 93 no GB AAA72535 . "alkaline phosphatase/pancreatic trypsin inhibitor precursor [synthetic construct]" . . . . . 100.00 79 98.28 100.00 4.10e-34 . . . . 18266 2 94 no GB AAB25189 . "major cationic kallikrein inhibitor [cattle, posterior pituitary gland, Peptide, 58 aa]" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 95 no GB AAD13685 . "trypsin inhibitor [Bos taurus]" . . . . . 100.00 100 100.00 100.00 1.36e-34 . . . . 18266 2 96 no GB ABX57797 . "aprotinin precursor [Plastid transformation vector pAPR20]" . . . . . 100.00 104 100.00 100.00 4.63e-35 . . . . 18266 2 97 no GB ABX57799 . "aprotinin precursor [Plastid transformation vector pAPR21]" . . . . . 100.00 100 100.00 100.00 6.39e-35 . . . . 18266 2 98 no PRF 1405218A . "aprotinin analog" . . . . . 98.28 57 100.00 100.00 3.87e-33 . . . . 18266 2 99 no PRF 1405218D . "aprotinin analog" . . . . . 100.00 59 100.00 100.00 7.96e-34 . . . . 18266 2 100 no PRF 1510193A . BPTI . . . . . 100.00 100 98.28 100.00 5.65e-34 . . . . 18266 2 101 no PRF 681071A . "inhibitor,basic pancreatic trypsin" . . . . . 100.00 58 100.00 100.00 9.45e-34 . . . . 18266 2 102 no SP P00974 . "RecName: Full=Pancreatic trypsin inhibitor; AltName: Full=Aprotinin; AltName: Full=Basic protease inhibitor; Short=BPI; Short=B" . . . . . 100.00 100 100.00 100.00 1.36e-34 . . . . 18266 2 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 . ARG . 18266 2 2 . PRO . 18266 2 3 . ASP . 18266 2 4 . PHE . 18266 2 5 . CYS . 18266 2 6 . LEU . 18266 2 7 . GLU . 18266 2 8 . PRO . 18266 2 9 . PRO . 18266 2 10 . TYR . 18266 2 11 . THR . 18266 2 12 . GLY . 18266 2 13 . PRO . 18266 2 14 . CYS . 18266 2 15 . LYS . 18266 2 16 . ALA . 18266 2 17 . ARG . 18266 2 18 . ILE . 18266 2 19 . ILE . 18266 2 20 . ARG . 18266 2 21 . TYR . 18266 2 22 . PHE . 18266 2 23 . TYR . 18266 2 24 . ASN . 18266 2 25 . ALA . 18266 2 26 . LYS . 18266 2 27 . ALA . 18266 2 28 . GLY . 18266 2 29 . LEU . 18266 2 30 . CYS . 18266 2 31 . GLN . 18266 2 32 . THR . 18266 2 33 . PHE . 18266 2 34 . VAL . 18266 2 35 . TYR . 18266 2 36 . GLY . 18266 2 37 . GLY . 18266 2 38 . CYS . 18266 2 39 . ARG . 18266 2 40 . ALA . 18266 2 41 . LYS . 18266 2 42 . ARG . 18266 2 43 . ASN . 18266 2 44 . ASN . 18266 2 45 . PHE . 18266 2 46 . LYS . 18266 2 47 . SER . 18266 2 48 . ALA . 18266 2 49 . GLU . 18266 2 50 . ASP . 18266 2 51 . CYS . 18266 2 52 . MET . 18266 2 53 . ARG . 18266 2 54 . THR . 18266 2 55 . CYS . 18266 2 56 . GLY . 18266 2 57 . GLY . 18266 2 58 . ALA . 18266 2 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 . ARG 1 1 18266 2 . PRO 2 2 18266 2 . ASP 3 3 18266 2 . PHE 4 4 18266 2 . CYS 5 5 18266 2 . LEU 6 6 18266 2 . GLU 7 7 18266 2 . PRO 8 8 18266 2 . PRO 9 9 18266 2 . TYR 10 10 18266 2 . THR 11 11 18266 2 . GLY 12 12 18266 2 . PRO 13 13 18266 2 . CYS 14 14 18266 2 . LYS 15 15 18266 2 . ALA 16 16 18266 2 . ARG 17 17 18266 2 . ILE 18 18 18266 2 . ILE 19 19 18266 2 . ARG 20 20 18266 2 . TYR 21 21 18266 2 . PHE 22 22 18266 2 . TYR 23 23 18266 2 . ASN 24 24 18266 2 . ALA 25 25 18266 2 . LYS 26 26 18266 2 . ALA 27 27 18266 2 . GLY 28 28 18266 2 . LEU 29 29 18266 2 . CYS 30 30 18266 2 . GLN 31 31 18266 2 . THR 32 32 18266 2 . PHE 33 33 18266 2 . VAL 34 34 18266 2 . TYR 35 35 18266 2 . GLY 36 36 18266 2 . GLY 37 37 18266 2 . CYS 38 38 18266 2 . ARG 39 39 18266 2 . ALA 40 40 18266 2 . LYS 41 41 18266 2 . ARG 42 42 18266 2 . ASN 43 43 18266 2 . ASN 44 44 18266 2 . PHE 45 45 18266 2 . LYS 46 46 18266 2 . SER 47 47 18266 2 . ALA 48 48 18266 2 . GLU 49 49 18266 2 . ASP 50 50 18266 2 . CYS 51 51 18266 2 . MET 52 52 18266 2 . ARG 53 53 18266 2 . THR 54 54 18266 2 . CYS 55 55 18266 2 . GLY 56 56 18266 2 . GLY 57 57 18266 2 . ALA 58 58 18266 2 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 18266 _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 $entity . 12637 virus . Flavivirus 'Dengue virus' . . Viruses . Flavivirus 'Dengue virus' . . . . . . . . . . . . . . . . . . . . . 18266 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 18266 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 18266 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18266 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18266 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18266 1 3 NS2B-NS3 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity . . 0.6 . . mM . . . . 18266 1 4 Aprotinin 'natural abundance' . . 2 $Aprotinin . . 1.2 . . mM . . . . 18266 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 18266 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 18266 1 pH 7.0 . pH 18266 1 pressure 1 . atm 18266 1 temperature 303 . K 18266 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18266 _Software.ID 1 _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' . . 18266 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18266 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18266 _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 . . 18266 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18266 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18266 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18266 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18266 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 18266 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 18266 _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 . 850 . . . 18266 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 18266 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18266 1 2 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18266 1 3 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18266 1 4 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18266 1 5 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18266 1 6 '3D HN(CA)CO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18266 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18266 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 18266 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18266 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18266 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18266 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 18266 _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 '3D HNCO' . . . 18266 1 2 '3D HNCA' . . . 18266 1 3 '3D HNCACB' . . . 18266 1 4 '3D HN(CO)CA' . . . 18266 1 5 '2D 1H-15N HSQC' . . . 18266 1 6 '3D HN(CA)CO' . . . 18266 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 6 6 GLU C C 13 175.678 0.002 . 1 . . . . 6 GLU C . 18266 1 2 . 1 1 6 6 GLU CA C 13 55.706 0.005 . 1 . . . . 6 GLU CA . 18266 1 3 . 1 1 6 6 GLU CB C 13 29.531 0.000 . 1 . . . . 6 GLU CB . 18266 1 4 . 1 1 7 7 ALA H H 1 8.180 0.005 . 1 . . . . 7 ALA HN . 18266 1 5 . 1 1 7 7 ALA C C 13 177.044 0.017 . 1 . . . . 7 ALA C . 18266 1 6 . 1 1 7 7 ALA CA C 13 51.474 0.036 . 1 . . . . 7 ALA CA . 18266 1 7 . 1 1 7 7 ALA CB C 13 19.154 0.028 . 1 . . . . 7 ALA CB . 18266 1 8 . 1 1 7 7 ALA N N 15 125.534 0.025 . 1 . . . . 7 ALA N . 18266 1 9 . 1 1 8 8 ASP H H 1 8.204 0.004 . 1 . . . . 8 ASP HN . 18266 1 10 . 1 1 8 8 ASP C C 13 175.322 0.022 . 1 . . . . 8 ASP C . 18266 1 11 . 1 1 8 8 ASP CA C 13 54.363 0.018 . 1 . . . . 8 ASP CA . 18266 1 12 . 1 1 8 8 ASP CB C 13 41.078 0.000 . 1 . . . . 8 ASP CB . 18266 1 13 . 1 1 8 8 ASP N N 15 120.616 0.022 . 1 . . . . 8 ASP N . 18266 1 14 . 1 1 9 9 LEU H H 1 8.044 0.005 . 1 . . . . 9 LEU HN . 18266 1 15 . 1 1 9 9 LEU C C 13 175.531 0.023 . 1 . . . . 9 LEU C . 18266 1 16 . 1 1 9 9 LEU CA C 13 53.484 0.045 . 1 . . . . 9 LEU CA . 18266 1 17 . 1 1 9 9 LEU CB C 13 42.464 0.030 . 1 . . . . 9 LEU CB . 18266 1 18 . 1 1 9 9 LEU N N 15 120.904 0.030 . 1 . . . . 9 LEU N . 18266 1 19 . 1 1 10 10 GLU H H 1 9.089 0.005 . 1 . . . . 10 GLU HN . 18266 1 20 . 1 1 10 10 GLU C C 13 175.714 0.012 . 1 . . . . 10 GLU C . 18266 1 21 . 1 1 10 10 GLU CA C 13 53.829 0.072 . 1 . . . . 10 GLU CA . 18266 1 22 . 1 1 10 10 GLU CB C 13 32.907 0.000 . 1 . . . . 10 GLU CB . 18266 1 23 . 1 1 10 10 GLU N N 15 122.177 0.024 . 1 . . . . 10 GLU N . 18266 1 24 . 1 1 11 11 LEU H H 1 8.268 0.005 . 1 . . . . 11 LEU HN . 18266 1 25 . 1 1 11 11 LEU C C 13 177.404 0.009 . 1 . . . . 11 LEU C . 18266 1 26 . 1 1 11 11 LEU CA C 13 53.135 0.065 . 1 . . . . 11 LEU CA . 18266 1 27 . 1 1 11 11 LEU CB C 13 43.499 0.006 . 1 . . . . 11 LEU CB . 18266 1 28 . 1 1 11 11 LEU N N 15 121.472 0.026 . 1 . . . . 11 LEU N . 18266 1 29 . 1 1 12 12 GLU H H 1 8.592 0.005 . 1 . . . . 12 GLU HN . 18266 1 30 . 1 1 12 12 GLU C C 13 174.507 0.011 . 1 . . . . 12 GLU C . 18266 1 31 . 1 1 12 12 GLU CA C 13 54.603 0.057 . 1 . . . . 12 GLU CA . 18266 1 32 . 1 1 12 12 GLU CB C 13 33.570 0.000 . 1 . . . . 12 GLU CB . 18266 1 33 . 1 1 12 12 GLU N N 15 121.395 0.021 . 1 . . . . 12 GLU N . 18266 1 34 . 1 1 13 13 ARG H H 1 9.308 0.004 . 1 . . . . 13 ARG HN . 18266 1 35 . 1 1 13 13 ARG C C 13 175.147 0.004 . 1 . . . . 13 ARG C . 18266 1 36 . 1 1 13 13 ARG CA C 13 58.592 0.083 . 1 . . . . 13 ARG CA . 18266 1 37 . 1 1 13 13 ARG N N 15 132.496 0.058 . 1 . . . . 13 ARG N . 18266 1 38 . 1 1 14 14 ALA H H 1 8.937 0.006 . 1 . . . . 14 ALA HN . 18266 1 39 . 1 1 14 14 ALA C C 13 176.316 0.009 . 1 . . . . 14 ALA C . 18266 1 40 . 1 1 14 14 ALA CA C 13 51.823 0.010 . 1 . . . . 14 ALA CA . 18266 1 41 . 1 1 14 14 ALA CB C 13 22.647 0.000 . 1 . . . . 14 ALA CB . 18266 1 42 . 1 1 14 14 ALA N N 15 127.317 0.028 . 1 . . . . 14 ALA N . 18266 1 43 . 1 1 15 15 ALA H H 1 7.540 0.004 . 1 . . . . 15 ALA HN . 18266 1 44 . 1 1 15 15 ALA C C 13 175.353 0.006 . 1 . . . . 15 ALA C . 18266 1 45 . 1 1 15 15 ALA CA C 13 51.380 0.071 . 1 . . . . 15 ALA CA . 18266 1 46 . 1 1 15 15 ALA CB C 13 21.909 0.006 . 1 . . . . 15 ALA CB . 18266 1 47 . 1 1 15 15 ALA N N 15 116.628 0.013 . 1 . . . . 15 ALA N . 18266 1 48 . 1 1 16 16 ASP H H 1 8.386 0.005 . 1 . . . . 16 ASP HN . 18266 1 49 . 1 1 16 16 ASP C C 13 175.361 0.010 . 1 . . . . 16 ASP C . 18266 1 50 . 1 1 16 16 ASP CA C 13 53.589 0.095 . 1 . . . . 16 ASP CA . 18266 1 51 . 1 1 16 16 ASP CB C 13 40.756 0.013 . 1 . . . . 16 ASP CB . 18266 1 52 . 1 1 16 16 ASP N N 15 120.307 0.021 . 1 . . . . 16 ASP N . 18266 1 53 . 1 1 17 17 VAL H H 1 8.770 0.004 . 1 . . . . 17 VAL HN . 18266 1 54 . 1 1 17 17 VAL C C 13 174.354 0.007 . 1 . . . . 17 VAL C . 18266 1 55 . 1 1 17 17 VAL CA C 13 62.907 0.050 . 1 . . . . 17 VAL CA . 18266 1 56 . 1 1 17 17 VAL CB C 13 29.662 0.000 . 1 . . . . 17 VAL CB . 18266 1 57 . 1 1 17 17 VAL N N 15 121.635 0.028 . 1 . . . . 17 VAL N . 18266 1 58 . 1 1 18 18 ARG H H 1 7.036 0.006 . 1 . . . . 18 ARG HN . 18266 1 59 . 1 1 18 18 ARG C C 13 172.713 0.006 . 1 . . . . 18 ARG C . 18266 1 60 . 1 1 18 18 ARG CA C 13 53.892 0.054 . 1 . . . . 18 ARG CA . 18266 1 61 . 1 1 18 18 ARG CB C 13 30.994 0.103 . 1 . . . . 18 ARG CB . 18266 1 62 . 1 1 18 18 ARG N N 15 124.159 0.018 . 1 . . . . 18 ARG N . 18266 1 63 . 1 1 19 19 TRP H H 1 8.540 0.005 . 1 . . . . 19 TRP HN . 18266 1 64 . 1 1 19 19 TRP C C 13 175.553 0.008 . 1 . . . . 19 TRP C . 18266 1 65 . 1 1 19 19 TRP CA C 13 56.678 0.051 . 1 . . . . 19 TRP CA . 18266 1 66 . 1 1 19 19 TRP CB C 13 28.272 0.000 . 1 . . . . 19 TRP CB . 18266 1 67 . 1 1 19 19 TRP N N 15 122.466 0.016 . 1 . . . . 19 TRP N . 18266 1 68 . 1 1 20 20 GLU H H 1 9.142 0.005 . 1 . . . . 20 GLU HN . 18266 1 69 . 1 1 20 20 GLU C C 13 176.444 0.006 . 1 . . . . 20 GLU C . 18266 1 70 . 1 1 20 20 GLU CA C 13 54.378 0.060 . 1 . . . . 20 GLU CA . 18266 1 71 . 1 1 20 20 GLU CB C 13 27.730 1.553 . 1 . . . . 20 GLU CB . 18266 1 72 . 1 1 20 20 GLU N N 15 132.234 0.027 . 1 . . . . 20 GLU N . 18266 1 73 . 1 1 21 21 GLU H H 1 8.678 0.004 . 1 . . . . 21 GLU HN . 18266 1 74 . 1 1 21 21 GLU C C 13 176.930 0.005 . 1 . . . . 21 GLU C . 18266 1 75 . 1 1 21 21 GLU CA C 13 58.133 0.050 . 1 . . . . 21 GLU CA . 18266 1 76 . 1 1 21 21 GLU CB C 13 29.143 0.096 . 1 . . . . 21 GLU CB . 18266 1 77 . 1 1 21 21 GLU N N 15 125.577 0.024 . 1 . . . . 21 GLU N . 18266 1 78 . 1 1 22 22 GLN H H 1 8.575 0.004 . 1 . . . . 22 GLN HN . 18266 1 79 . 1 1 22 22 GLN C C 13 174.308 0.005 . 1 . . . . 22 GLN C . 18266 1 80 . 1 1 22 22 GLN CA C 13 54.423 0.116 . 1 . . . . 22 GLN CA . 18266 1 81 . 1 1 22 22 GLN CB C 13 26.982 0.024 . 1 . . . . 22 GLN CB . 18266 1 82 . 1 1 22 22 GLN N N 15 117.937 0.020 . 1 . . . . 22 GLN N . 18266 1 83 . 1 1 23 23 ALA H H 1 7.257 0.004 . 1 . . . . 23 ALA HN . 18266 1 84 . 1 1 23 23 ALA C C 13 177.116 0.008 . 1 . . . . 23 ALA C . 18266 1 85 . 1 1 23 23 ALA CA C 13 51.255 0.055 . 1 . . . . 23 ALA CA . 18266 1 86 . 1 1 23 23 ALA CB C 13 19.561 0.015 . 1 . . . . 23 ALA CB . 18266 1 87 . 1 1 23 23 ALA N N 15 123.798 0.027 . 1 . . . . 23 ALA N . 18266 1 88 . 1 1 24 24 GLU H H 1 7.877 0.004 . 1 . . . . 24 GLU HN . 18266 1 89 . 1 1 24 24 GLU C C 13 174.187 0.019 . 1 . . . . 24 GLU C . 18266 1 90 . 1 1 24 24 GLU CA C 13 55.829 0.050 . 1 . . . . 24 GLU CA . 18266 1 91 . 1 1 24 24 GLU CB C 13 29.976 0.033 . 1 . . . . 24 GLU CB . 18266 1 92 . 1 1 24 24 GLU N N 15 121.654 0.031 . 1 . . . . 24 GLU N . 18266 1 93 . 1 1 25 25 ILE H H 1 8.123 0.004 . 1 . . . . 25 ILE HN . 18266 1 94 . 1 1 25 25 ILE C C 13 176.969 0.009 . 1 . . . . 25 ILE C . 18266 1 95 . 1 1 25 25 ILE CA C 13 59.371 0.137 . 1 . . . . 25 ILE CA . 18266 1 96 . 1 1 25 25 ILE CB C 13 38.124 0.000 . 1 . . . . 25 ILE CB . 18266 1 97 . 1 1 25 25 ILE N N 15 123.865 0.022 . 1 . . . . 25 ILE N . 18266 1 98 . 1 1 26 26 SER H H 1 8.699 0.006 . 1 . . . . 26 SER HN . 18266 1 99 . 1 1 26 26 SER C C 13 174.426 0.000 . 1 . . . . 26 SER C . 18266 1 100 . 1 1 26 26 SER CA C 13 56.764 0.048 . 1 . . . . 26 SER CA . 18266 1 101 . 1 1 26 26 SER CB C 13 64.597 0.000 . 1 . . . . 26 SER CB . 18266 1 102 . 1 1 26 26 SER N N 15 120.878 0.013 . 1 . . . . 26 SER N . 18266 1 103 . 1 1 30 30 PRO C C 13 174.532 0.000 . 1 . . . . 30 PRO C . 18266 1 104 . 1 1 30 30 PRO CA C 13 62.290 0.008 . 1 . . . . 30 PRO CA . 18266 1 105 . 1 1 30 30 PRO CB C 13 31.553 0.000 . 1 . . . . 30 PRO CB . 18266 1 106 . 1 1 31 31 ILE H H 1 7.918 0.007 . 1 . . . . 31 ILE HN . 18266 1 107 . 1 1 31 31 ILE C C 13 175.984 0.005 . 1 . . . . 31 ILE C . 18266 1 108 . 1 1 31 31 ILE CA C 13 60.234 0.111 . 1 . . . . 31 ILE CA . 18266 1 109 . 1 1 31 31 ILE CB C 13 37.843 0.000 . 1 . . . . 31 ILE CB . 18266 1 110 . 1 1 31 31 ILE N N 15 118.241 0.016 . 1 . . . . 31 ILE N . 18266 1 111 . 1 1 32 32 LEU H H 1 8.586 0.008 . 1 . . . . 32 LEU HN . 18266 1 112 . 1 1 32 32 LEU C C 13 175.442 0.022 . 1 . . . . 32 LEU C . 18266 1 113 . 1 1 32 32 LEU CA C 13 53.224 0.057 . 1 . . . . 32 LEU CA . 18266 1 114 . 1 1 32 32 LEU CB C 13 45.239 0.011 . 1 . . . . 32 LEU CB . 18266 1 115 . 1 1 32 32 LEU N N 15 127.108 0.022 . 1 . . . . 32 LEU N . 18266 1 116 . 1 1 33 33 SER H H 1 8.753 0.004 . 1 . . . . 33 SER HN . 18266 1 117 . 1 1 33 33 SER C C 13 174.206 0.029 . 1 . . . . 33 SER C . 18266 1 118 . 1 1 33 33 SER CA C 13 57.637 0.021 . 1 . . . . 33 SER CA . 18266 1 119 . 1 1 33 33 SER CB C 13 62.846 0.162 . 1 . . . . 33 SER CB . 18266 1 120 . 1 1 33 33 SER N N 15 118.986 0.018 . 1 . . . . 33 SER N . 18266 1 121 . 1 1 34 34 ILE H H 1 8.244 0.007 . 1 . . . . 34 ILE HN . 18266 1 122 . 1 1 34 34 ILE C C 13 175.309 0.019 . 1 . . . . 34 ILE C . 18266 1 123 . 1 1 34 34 ILE CA C 13 57.883 0.045 . 1 . . . . 34 ILE CA . 18266 1 124 . 1 1 34 34 ILE CB C 13 42.471 0.007 . 1 . . . . 34 ILE CB . 18266 1 125 . 1 1 34 34 ILE N N 15 120.474 0.039 . 1 . . . . 34 ILE N . 18266 1 126 . 1 1 35 35 THR H H 1 8.679 0.004 . 1 . . . . 35 THR HN . 18266 1 127 . 1 1 35 35 THR C C 13 173.236 0.013 . 1 . . . . 35 THR C . 18266 1 128 . 1 1 35 35 THR CA C 13 60.473 0.037 . 1 . . . . 35 THR CA . 18266 1 129 . 1 1 35 35 THR CB C 13 69.970 0.003 . 1 . . . . 35 THR CB . 18266 1 130 . 1 1 35 35 THR N N 15 117.029 0.024 . 1 . . . . 35 THR N . 18266 1 131 . 1 1 36 36 ILE H H 1 8.614 0.005 . 1 . . . . 36 ILE HN . 18266 1 132 . 1 1 36 36 ILE C C 13 176.741 0.016 . 1 . . . . 36 ILE C . 18266 1 133 . 1 1 36 36 ILE CA C 13 60.498 0.019 . 1 . . . . 36 ILE CA . 18266 1 134 . 1 1 36 36 ILE CB C 13 37.664 0.001 . 1 . . . . 36 ILE CB . 18266 1 135 . 1 1 36 36 ILE N N 15 127.174 0.012 . 1 . . . . 36 ILE N . 18266 1 136 . 1 1 37 37 SER H H 1 8.917 0.006 . 1 . . . . 37 SER HN . 18266 1 137 . 1 1 37 37 SER C C 13 175.259 0.000 . 1 . . . . 37 SER C . 18266 1 138 . 1 1 37 37 SER CA C 13 58.070 0.034 . 1 . . . . 37 SER CA . 18266 1 139 . 1 1 37 37 SER CB C 13 63.502 0.000 . 1 . . . . 37 SER CB . 18266 1 140 . 1 1 37 37 SER N N 15 124.555 0.053 . 1 . . . . 37 SER N . 18266 1 141 . 1 1 38 38 GLU C C 13 175.757 0.003 . 1 . . . . 38 GLU C . 18266 1 142 . 1 1 38 38 GLU CA C 13 58.615 0.000 . 1 . . . . 38 GLU CA . 18266 1 143 . 1 1 38 38 GLU CB C 13 28.113 0.000 . 1 . . . . 38 GLU CB . 18266 1 144 . 1 1 39 39 ASP H H 1 7.359 0.005 . 1 . . . . 39 ASP HN . 18266 1 145 . 1 1 39 39 ASP C C 13 176.127 0.020 . 1 . . . . 39 ASP C . 18266 1 146 . 1 1 39 39 ASP CA C 13 52.225 0.138 . 1 . . . . 39 ASP CA . 18266 1 147 . 1 1 39 39 ASP CB C 13 39.222 0.128 . 1 . . . . 39 ASP CB . 18266 1 148 . 1 1 39 39 ASP N N 15 114.621 0.045 . 1 . . . . 39 ASP N . 18266 1 149 . 1 1 40 40 GLY H H 1 7.837 0.006 . 1 . . . . 40 GLY HN . 18266 1 150 . 1 1 40 40 GLY C C 13 174.238 0.001 . 1 . . . . 40 GLY C . 18266 1 151 . 1 1 40 40 GLY CA C 13 45.213 0.030 . 1 . . . . 40 GLY CA . 18266 1 152 . 1 1 40 40 GLY N N 15 107.946 0.049 . 1 . . . . 40 GLY N . 18266 1 153 . 1 1 41 41 SER H H 1 7.959 0.008 . 1 . . . . 41 SER HN . 18266 1 154 . 1 1 41 41 SER C C 13 173.138 0.010 . 1 . . . . 41 SER C . 18266 1 155 . 1 1 41 41 SER CA C 13 58.369 0.024 . 1 . . . . 41 SER CA . 18266 1 156 . 1 1 41 41 SER CB C 13 63.444 0.190 . 1 . . . . 41 SER CB . 18266 1 157 . 1 1 41 41 SER N N 15 116.713 0.042 . 1 . . . . 41 SER N . 18266 1 158 . 1 1 42 42 MET H H 1 9.442 0.009 . 1 . . . . 42 MET HN . 18266 1 159 . 1 1 42 42 MET C C 13 175.053 0.007 . 1 . . . . 42 MET C . 18266 1 160 . 1 1 42 42 MET CA C 13 54.534 0.091 . 1 . . . . 42 MET CA . 18266 1 161 . 1 1 42 42 MET CB C 13 35.566 0.055 . 1 . . . . 42 MET CB . 18266 1 162 . 1 1 42 42 MET N N 15 120.473 0.022 . 1 . . . . 42 MET N . 18266 1 163 . 1 1 43 43 SER H H 1 8.110 0.004 . 1 . . . . 43 SER HN . 18266 1 164 . 1 1 43 43 SER C C 13 173.117 0.020 . 1 . . . . 43 SER C . 18266 1 165 . 1 1 43 43 SER CA C 13 56.297 0.012 . 1 . . . . 43 SER CA . 18266 1 166 . 1 1 43 43 SER CB C 13 65.068 0.050 . 1 . . . . 43 SER CB . 18266 1 167 . 1 1 43 43 SER N N 15 112.946 0.023 . 1 . . . . 43 SER N . 18266 1 168 . 1 1 44 44 ILE H H 1 8.667 0.005 . 1 . . . . 44 ILE HN . 18266 1 169 . 1 1 44 44 ILE C C 13 176.258 0.012 . 1 . . . . 44 ILE C . 18266 1 170 . 1 1 44 44 ILE CA C 13 61.828 0.049 . 1 . . . . 44 ILE CA . 18266 1 171 . 1 1 44 44 ILE CB C 13 37.435 0.100 . 1 . . . . 44 ILE CB . 18266 1 172 . 1 1 44 44 ILE N N 15 124.125 0.064 . 1 . . . . 44 ILE N . 18266 1 173 . 1 1 45 45 LYS H H 1 8.616 0.009 . 1 . . . . 45 LYS HN . 18266 1 174 . 1 1 45 45 LYS C C 13 175.860 0.000 . 1 . . . . 45 LYS C . 18266 1 175 . 1 1 45 45 LYS CA C 13 56.198 0.051 . 1 . . . . 45 LYS CA . 18266 1 176 . 1 1 45 45 LYS CB C 13 32.190 0.000 . 1 . . . . 45 LYS CB . 18266 1 177 . 1 1 45 45 LYS N N 15 130.012 0.051 . 1 . . . . 45 LYS N . 18266 1 178 . 1 1 62 62 GLY CA C 13 44.633 0.053 . 1 . . . . 62 GLY CA . 18266 1 179 . 1 1 63 63 ALA H H 1 7.693 0.005 . 1 . . . . 63 ALA HN . 18266 1 180 . 1 1 63 63 ALA CA C 13 53.169 0.037 . 1 . . . . 63 ALA CA . 18266 1 181 . 1 1 63 63 ALA CB C 13 19.224 0.000 . 1 . . . . 63 ALA CB . 18266 1 182 . 1 1 63 63 ALA N N 15 129.649 0.014 . 1 . . . . 63 ALA N . 18266 1 183 . 1 1 70 70 PRO CA C 13 62.680 0.005 . 1 . . . . 70 PRO CA . 18266 1 184 . 1 1 70 70 PRO CB C 13 31.090 0.000 . 1 . . . . 70 PRO CB . 18266 1 185 . 1 1 71 71 SER H H 1 8.155 0.005 . 1 . . . . 71 SER HN . 18266 1 186 . 1 1 71 71 SER CA C 13 55.975 0.010 . 1 . . . . 71 SER CA . 18266 1 187 . 1 1 71 71 SER CB C 13 62.794 0.000 . 1 . . . . 71 SER CB . 18266 1 188 . 1 1 71 71 SER N N 15 117.783 0.013 . 1 . . . . 71 SER N . 18266 1 189 . 1 1 76 76 GLY CA C 13 44.590 0.099 . 1 . . . . 76 GLY CA . 18266 1 190 . 1 1 77 77 LYS H H 1 8.027 0.004 . 1 . . . . 77 LYS HN . 18266 1 191 . 1 1 77 77 LYS CA C 13 55.613 0.023 . 1 . . . . 77 LYS CA . 18266 1 192 . 1 1 77 77 LYS CB C 13 32.219 0.000 . 1 . . . . 77 LYS CB . 18266 1 193 . 1 1 77 77 LYS N N 15 121.463 0.031 . 1 . . . . 77 LYS N . 18266 1 194 . 1 1 78 78 ALA H H 1 8.271 0.005 . 1 . . . . 78 ALA HN . 18266 1 195 . 1 1 78 78 ALA C C 13 177.183 0.001 . 1 . . . . 78 ALA C . 18266 1 196 . 1 1 78 78 ALA CA C 13 51.956 0.004 . 1 . . . . 78 ALA CA . 18266 1 197 . 1 1 78 78 ALA CB C 13 18.100 0.000 . 1 . . . . 78 ALA CB . 18266 1 198 . 1 1 78 78 ALA N N 15 125.501 0.053 . 1 . . . . 78 ALA N . 18266 1 199 . 1 1 79 79 GLU H H 1 8.135 0.003 . 1 . . . . 79 GLU HN . 18266 1 200 . 1 1 79 79 GLU C C 13 175.932 0.016 . 1 . . . . 79 GLU C . 18266 1 201 . 1 1 79 79 GLU CA C 13 55.899 0.052 . 1 . . . . 79 GLU CA . 18266 1 202 . 1 1 79 79 GLU CB C 13 29.328 0.102 . 1 . . . . 79 GLU CB . 18266 1 203 . 1 1 79 79 GLU N N 15 120.329 0.076 . 1 . . . . 79 GLU N . 18266 1 204 . 1 1 80 80 LEU H H 1 7.588 0.006 . 1 . . . . 80 LEU HN . 18266 1 205 . 1 1 80 80 LEU C C 13 175.731 0.007 . 1 . . . . 80 LEU C . 18266 1 206 . 1 1 80 80 LEU CA C 13 54.297 0.009 . 1 . . . . 80 LEU CA . 18266 1 207 . 1 1 80 80 LEU CB C 13 40.129 0.006 . 1 . . . . 80 LEU CB . 18266 1 208 . 1 1 80 80 LEU N N 15 122.986 0.016 . 1 . . . . 80 LEU N . 18266 1 209 . 1 1 81 81 GLU H H 1 7.633 0.006 . 1 . . . . 81 GLU HN . 18266 1 210 . 1 1 81 81 GLU C C 13 177.415 0.007 . 1 . . . . 81 GLU C . 18266 1 211 . 1 1 81 81 GLU CA C 13 55.384 0.020 . 1 . . . . 81 GLU CA . 18266 1 212 . 1 1 81 81 GLU CB C 13 30.304 0.000 . 1 . . . . 81 GLU CB . 18266 1 213 . 1 1 81 81 GLU N N 15 120.140 0.037 . 1 . . . . 81 GLU N . 18266 1 214 . 1 1 82 82 ASP H H 1 8.675 0.004 . 1 . . . . 82 ASP HN . 18266 1 215 . 1 1 82 82 ASP C C 13 176.974 0.004 . 1 . . . . 82 ASP C . 18266 1 216 . 1 1 82 82 ASP CA C 13 55.292 0.100 . 1 . . . . 82 ASP CA . 18266 1 217 . 1 1 82 82 ASP CB C 13 39.764 0.010 . 1 . . . . 82 ASP CB . 18266 1 218 . 1 1 82 82 ASP N N 15 124.500 0.050 . 1 . . . . 82 ASP N . 18266 1 219 . 1 1 83 83 GLY H H 1 8.775 0.005 . 1 . . . . 83 GLY HN . 18266 1 220 . 1 1 83 83 GLY C C 13 171.235 0.032 . 1 . . . . 83 GLY C . 18266 1 221 . 1 1 83 83 GLY CA C 13 44.816 0.063 . 1 . . . . 83 GLY CA . 18266 1 222 . 1 1 83 83 GLY N N 15 108.227 0.034 . 1 . . . . 83 GLY N . 18266 1 223 . 1 1 84 84 ALA H H 1 9.310 0.004 . 1 . . . . 84 ALA HN . 18266 1 224 . 1 1 84 84 ALA C C 13 176.548 0.006 . 1 . . . . 84 ALA C . 18266 1 225 . 1 1 84 84 ALA CA C 13 50.319 0.046 . 1 . . . . 84 ALA CA . 18266 1 226 . 1 1 84 84 ALA CB C 13 18.904 0.006 . 1 . . . . 84 ALA CB . 18266 1 227 . 1 1 84 84 ALA N N 15 123.120 0.008 . 1 . . . . 84 ALA N . 18266 1 228 . 1 1 85 85 TYR H H 1 9.469 0.008 . 1 . . . . 85 TYR HN . 18266 1 229 . 1 1 85 85 TYR C C 13 174.680 0.013 . 1 . . . . 85 TYR C . 18266 1 230 . 1 1 85 85 TYR CA C 13 56.534 0.028 . 1 . . . . 85 TYR CA . 18266 1 231 . 1 1 85 85 TYR CB C 13 41.816 0.011 . 1 . . . . 85 TYR CB . 18266 1 232 . 1 1 85 85 TYR N N 15 123.339 0.057 . 1 . . . . 85 TYR N . 18266 1 233 . 1 1 86 86 ARG H H 1 9.093 0.005 . 1 . . . . 86 ARG HN . 18266 1 234 . 1 1 86 86 ARG C C 13 174.810 0.006 . 1 . . . . 86 ARG C . 18266 1 235 . 1 1 86 86 ARG CA C 13 54.664 0.076 . 1 . . . . 86 ARG CA . 18266 1 236 . 1 1 86 86 ARG CB C 13 31.715 0.023 . 1 . . . . 86 ARG CB . 18266 1 237 . 1 1 86 86 ARG N N 15 117.323 0.032 . 1 . . . . 86 ARG N . 18266 1 238 . 1 1 87 87 ILE H H 1 8.789 0.006 . 1 . . . . 87 ILE HN . 18266 1 239 . 1 1 87 87 ILE C C 13 175.363 0.007 . 1 . . . . 87 ILE C . 18266 1 240 . 1 1 87 87 ILE CA C 13 60.545 0.050 . 1 . . . . 87 ILE CA . 18266 1 241 . 1 1 87 87 ILE CB C 13 37.656 0.027 . 1 . . . . 87 ILE CB . 18266 1 242 . 1 1 87 87 ILE N N 15 121.962 0.027 . 1 . . . . 87 ILE N . 18266 1 243 . 1 1 88 88 LYS H H 1 9.549 0.006 . 1 . . . . 88 LYS HN . 18266 1 244 . 1 1 88 88 LYS C C 13 173.876 0.005 . 1 . . . . 88 LYS C . 18266 1 245 . 1 1 88 88 LYS CA C 13 53.957 0.018 . 1 . . . . 88 LYS CA . 18266 1 246 . 1 1 88 88 LYS CB C 13 34.834 0.021 . 1 . . . . 88 LYS CB . 18266 1 247 . 1 1 88 88 LYS N N 15 127.169 0.022 . 1 . . . . 88 LYS N . 18266 1 248 . 1 1 89 89 GLN H H 1 8.879 0.007 . 1 . . . . 89 GLN HN . 18266 1 249 . 1 1 89 89 GLN C C 13 175.500 0.012 . 1 . . . . 89 GLN C . 18266 1 250 . 1 1 89 89 GLN CA C 13 53.890 0.033 . 1 . . . . 89 GLN CA . 18266 1 251 . 1 1 89 89 GLN CB C 13 32.110 0.000 . 1 . . . . 89 GLN CB . 18266 1 252 . 1 1 89 89 GLN N N 15 121.160 0.049 . 1 . . . . 89 GLN N . 18266 1 253 . 1 1 90 90 LYS H H 1 9.091 0.006 . 1 . . . . 90 LYS HN . 18266 1 254 . 1 1 90 90 LYS C C 13 175.293 0.006 . 1 . . . . 90 LYS C . 18266 1 255 . 1 1 90 90 LYS CA C 13 56.833 0.038 . 1 . . . . 90 LYS CA . 18266 1 256 . 1 1 90 90 LYS CB C 13 31.399 0.039 . 1 . . . . 90 LYS CB . 18266 1 257 . 1 1 90 90 LYS N N 15 131.366 0.024 . 1 . . . . 90 LYS N . 18266 1 258 . 1 1 91 91 GLY H H 1 7.690 0.005 . 1 . . . . 91 GLY HN . 18266 1 259 . 1 1 91 91 GLY C C 13 174.693 0.000 . 1 . . . . 91 GLY C . 18266 1 260 . 1 1 91 91 GLY CA C 13 43.876 0.027 . 1 . . . . 91 GLY CA . 18266 1 261 . 1 1 91 91 GLY N N 15 114.970 0.009 . 1 . . . . 91 GLY N . 18266 1 262 . 1 1 92 92 ILE CA C 13 63.259 0.125 . 1 . . . . 92 ILE CA . 18266 1 263 . 1 1 92 92 ILE CB C 13 37.432 0.000 . 1 . . . . 92 ILE CB . 18266 1 264 . 1 1 93 93 LEU H H 1 8.140 0.005 . 1 . . . . 93 LEU HN . 18266 1 265 . 1 1 93 93 LEU C C 13 176.763 0.002 . 1 . . . . 93 LEU C . 18266 1 266 . 1 1 93 93 LEU CA C 13 53.745 0.070 . 1 . . . . 93 LEU CA . 18266 1 267 . 1 1 93 93 LEU CB C 13 40.262 0.000 . 1 . . . . 93 LEU CB . 18266 1 268 . 1 1 93 93 LEU N N 15 119.425 0.098 . 1 . . . . 93 LEU N . 18266 1 269 . 1 1 94 94 GLY H H 1 7.405 0.002 . 1 . . . . 94 GLY HN . 18266 1 270 . 1 1 94 94 GLY N N 15 107.915 0.053 . 1 . . . . 94 GLY N . 18266 1 271 . 1 1 97 97 GLN C C 13 175.218 0.000 . 1 . . . . 97 GLN C . 18266 1 272 . 1 1 97 97 GLN CA C 13 55.826 0.147 . 1 . . . . 97 GLN CA . 18266 1 273 . 1 1 97 97 GLN CB C 13 28.33 0.000 . 1 . . . . 97 GLN CB . 18266 1 274 . 1 1 98 98 ILE H H 1 8.813 0.005 . 1 . . . . 98 ILE HN . 18266 1 275 . 1 1 98 98 ILE C C 13 175.845 0.004 . 1 . . . . 98 ILE C . 18266 1 276 . 1 1 98 98 ILE CA C 13 60.931 0.001 . 1 . . . . 98 ILE CA . 18266 1 277 . 1 1 98 98 ILE N N 15 122.158 0.038 . 1 . . . . 98 ILE N . 18266 1 278 . 1 1 99 99 GLY H H 1 7.406 0.004 . 1 . . . . 99 GLY HN . 18266 1 279 . 1 1 99 99 GLY C C 13 170.808 0.003 . 1 . . . . 99 GLY C . 18266 1 280 . 1 1 99 99 GLY CA C 13 45.258 0.051 . 1 . . . . 99 GLY CA . 18266 1 281 . 1 1 99 99 GLY N N 15 107.182 0.036 . 1 . . . . 99 GLY N . 18266 1 282 . 1 1 100 100 ALA H H 1 9.211 0.004 . 1 . . . . 100 ALA HN . 18266 1 283 . 1 1 100 100 ALA C C 13 174.995 0.001 . 1 . . . . 100 ALA C . 18266 1 284 . 1 1 100 100 ALA CA C 13 50.779 0.066 . 1 . . . . 100 ALA CA . 18266 1 285 . 1 1 100 100 ALA CB C 13 22.294 0.012 . 1 . . . . 100 ALA CB . 18266 1 286 . 1 1 100 100 ALA N N 15 125.659 0.027 . 1 . . . . 100 ALA N . 18266 1 287 . 1 1 101 101 GLY H H 1 8.632 0.005 . 1 . . . . 101 GLY HN . 18266 1 288 . 1 1 101 101 GLY C C 13 172.924 0.007 . 1 . . . . 101 GLY C . 18266 1 289 . 1 1 101 101 GLY CA C 13 46.374 0.019 . 1 . . . . 101 GLY CA . 18266 1 290 . 1 1 101 101 GLY N N 15 104.488 0.039 . 1 . . . . 101 GLY N . 18266 1 291 . 1 1 102 102 VAL H H 1 8.313 0.006 . 1 . . . . 102 VAL HN . 18266 1 292 . 1 1 102 102 VAL C C 13 174.925 0.005 . 1 . . . . 102 VAL C . 18266 1 293 . 1 1 102 102 VAL CA C 13 59.625 0.061 . 1 . . . . 102 VAL CA . 18266 1 294 . 1 1 102 102 VAL CB C 13 35.648 0.154 . 1 . . . . 102 VAL CB . 18266 1 295 . 1 1 102 102 VAL N N 15 116.578 0.016 . 1 . . . . 102 VAL N . 18266 1 296 . 1 1 103 103 TYR H H 1 10.031 0.004 . 1 . . . . 103 TYR HN . 18266 1 297 . 1 1 103 103 TYR C C 13 175.087 0.027 . 1 . . . . 103 TYR C . 18266 1 298 . 1 1 103 103 TYR CA C 13 56.830 0.028 . 1 . . . . 103 TYR CA . 18266 1 299 . 1 1 103 103 TYR CB C 13 40.708 0.000 . 1 . . . . 103 TYR CB . 18266 1 300 . 1 1 103 103 TYR N N 15 134.869 0.024 . 1 . . . . 103 TYR N . 18266 1 301 . 1 1 104 104 LYS H H 1 8.894 0.006 . 1 . . . . 104 LYS HN . 18266 1 302 . 1 1 104 104 LYS C C 13 174.693 0.008 . 1 . . . . 104 LYS C . 18266 1 303 . 1 1 104 104 LYS CA C 13 55.838 0.076 . 1 . . . . 104 LYS CA . 18266 1 304 . 1 1 104 104 LYS CB C 13 35.627 0.020 . 1 . . . . 104 LYS CB . 18266 1 305 . 1 1 104 104 LYS N N 15 128.239 0.029 . 1 . . . . 104 LYS N . 18266 1 306 . 1 1 105 105 GLU H H 1 9.196 0.006 . 1 . . . . 105 GLU HN . 18266 1 307 . 1 1 105 105 GLU C C 13 176.466 0.002 . 1 . . . . 105 GLU C . 18266 1 308 . 1 1 105 105 GLU CA C 13 56.426 0.184 . 1 . . . . 105 GLU CA . 18266 1 309 . 1 1 105 105 GLU CB C 13 27.455 0.057 . 1 . . . . 105 GLU CB . 18266 1 310 . 1 1 105 105 GLU N N 15 126.412 0.014 . 1 . . . . 105 GLU N . 18266 1 311 . 1 1 106 106 GLY H H 1 8.383 0.007 . 1 . . . . 106 GLY HN . 18266 1 312 . 1 1 106 106 GLY C C 13 173.619 0.002 . 1 . . . . 106 GLY C . 18266 1 313 . 1 1 106 106 GLY CA C 13 45.316 0.050 . 1 . . . . 106 GLY CA . 18266 1 314 . 1 1 106 106 GLY N N 15 105.050 0.068 . 1 . . . . 106 GLY N . 18266 1 315 . 1 1 107 107 THR H H 1 7.358 0.007 . 1 . . . . 107 THR HN . 18266 1 316 . 1 1 107 107 THR C C 13 172.066 0.033 . 1 . . . . 107 THR C . 18266 1 317 . 1 1 107 107 THR CA C 13 60.272 0.122 . 1 . . . . 107 THR CA . 18266 1 318 . 1 1 107 107 THR CB C 13 71.317 0.092 . 1 . . . . 107 THR CB . 18266 1 319 . 1 1 107 107 THR N N 15 117.535 0.038 . 1 . . . . 107 THR N . 18266 1 320 . 1 1 108 108 PHE H H 1 8.895 0.005 . 1 . . . . 108 PHE HN . 18266 1 321 . 1 1 108 108 PHE C C 13 172.738 0.015 . 1 . . . . 108 PHE C . 18266 1 322 . 1 1 108 108 PHE CA C 13 56.876 0.054 . 1 . . . . 108 PHE CA . 18266 1 323 . 1 1 108 108 PHE CB C 13 39.421 0.000 . 1 . . . . 108 PHE CB . 18266 1 324 . 1 1 108 108 PHE N N 15 126.949 0.053 . 1 . . . . 108 PHE N . 18266 1 325 . 1 1 109 109 HIS H H 1 7.904 0.002 . 1 . . . . 109 HIS HN . 18266 1 326 . 1 1 109 109 HIS C C 13 173.417 0.008 . 1 . . . . 109 HIS C . 18266 1 327 . 1 1 109 109 HIS CA C 13 54.985 0.105 . 1 . . . . 109 HIS CA . 18266 1 328 . 1 1 109 109 HIS CB C 13 29.999 0.000 . 1 . . . . 109 HIS CB . 18266 1 329 . 1 1 109 109 HIS N N 15 127.293 0.073 . 1 . . . . 109 HIS N . 18266 1 330 . 1 1 110 110 THR H H 1 8.839 0.006 . 1 . . . . 110 THR HN . 18266 1 331 . 1 1 110 110 THR C C 13 172.303 0.045 . 1 . . . . 110 THR C . 18266 1 332 . 1 1 110 110 THR CA C 13 60.236 0.038 . 1 . . . . 110 THR CA . 18266 1 333 . 1 1 110 110 THR CB C 13 67.344 0.078 . 1 . . . . 110 THR CB . 18266 1 334 . 1 1 110 110 THR N N 15 117.603 0.035 . 1 . . . . 110 THR N . 18266 1 335 . 1 1 111 111 MET H H 1 8.320 0.005 . 1 . . . . 111 MET HN . 18266 1 336 . 1 1 111 111 MET C C 13 177.406 0.013 . 1 . . . . 111 MET C . 18266 1 337 . 1 1 111 111 MET CA C 13 53.786 0.055 . 1 . . . . 111 MET CA . 18266 1 338 . 1 1 111 111 MET CB C 13 31.305 0.013 . 1 . . . . 111 MET CB . 18266 1 339 . 1 1 111 111 MET N N 15 117.477 0.041 . 1 . . . . 111 MET N . 18266 1 340 . 1 1 112 112 TRP H H 1 7.612 0.006 . 1 . . . . 112 TRP HN . 18266 1 341 . 1 1 112 112 TRP C C 13 179.152 0.000 . 1 . . . . 112 TRP C . 18266 1 342 . 1 1 112 112 TRP CA C 13 61.376 0.020 . 1 . . . . 112 TRP CA . 18266 1 343 . 1 1 112 112 TRP CB C 13 26.748 0.000 . 1 . . . . 112 TRP CB . 18266 1 344 . 1 1 112 112 TRP N N 15 127.358 0.063 . 1 . . . . 112 TRP N . 18266 1 345 . 1 1 113 113 HIS C C 13 175.427 0.000 . 1 . . . . 113 HIS C . 18266 1 346 . 1 1 113 113 HIS CA C 13 59.284 0.000 . 1 . . . . 113 HIS CA . 18266 1 347 . 1 1 114 114 VAL H H 1 6.729 0.004 . 1 . . . . 114 VAL HN . 18266 1 348 . 1 1 114 114 VAL C C 13 175.019 0.002 . 1 . . . . 114 VAL C . 18266 1 349 . 1 1 114 114 VAL CA C 13 64.783 0.044 . 1 . . . . 114 VAL CA . 18266 1 350 . 1 1 114 114 VAL CB C 13 30.196 0.124 . 1 . . . . 114 VAL CB . 18266 1 351 . 1 1 114 114 VAL N N 15 117.961 0.008 . 1 . . . . 114 VAL N . 18266 1 352 . 1 1 115 115 THR H H 1 6.224 0.007 . 1 . . . . 115 THR HN . 18266 1 353 . 1 1 115 115 THR C C 13 176.209 0.007 . 1 . . . . 115 THR C . 18266 1 354 . 1 1 115 115 THR CA C 13 60.393 0.014 . 1 . . . . 115 THR CA . 18266 1 355 . 1 1 115 115 THR CB C 13 69.411 0.054 . 1 . . . . 115 THR CB . 18266 1 356 . 1 1 115 115 THR N N 15 100.185 0.071 . 1 . . . . 115 THR N . 18266 1 357 . 1 1 116 116 ARG H H 1 9.117 0.006 . 1 . . . . 116 ARG HN . 18266 1 358 . 1 1 116 116 ARG C C 13 175.681 0.038 . 1 . . . . 116 ARG C . 18266 1 359 . 1 1 116 116 ARG CA C 13 55.592 0.044 . 1 . . . . 116 ARG CA . 18266 1 360 . 1 1 116 116 ARG CB C 13 25.979 0.000 . 1 . . . . 116 ARG CB . 18266 1 361 . 1 1 116 116 ARG N N 15 122.400 0.051 . 1 . . . . 116 ARG N . 18266 1 362 . 1 1 117 117 GLY H H 1 6.713 0.009 . 1 . . . . 117 GLY HN . 18266 1 363 . 1 1 117 117 GLY C C 13 173.140 0.016 . 1 . . . . 117 GLY C . 18266 1 364 . 1 1 117 117 GLY CA C 13 44.469 0.162 . 1 . . . . 117 GLY CA . 18266 1 365 . 1 1 117 117 GLY N N 15 133.395 0.031 . 1 . . . . 117 GLY N . 18266 1 366 . 1 1 118 118 ALA H H 1 7.282 0.005 . 1 . . . . 118 ALA HN . 18266 1 367 . 1 1 118 118 ALA C C 13 177.612 0.025 . 1 . . . . 118 ALA C . 18266 1 368 . 1 1 118 118 ALA CA C 13 51.581 0.018 . 1 . . . . 118 ALA CA . 18266 1 369 . 1 1 118 118 ALA CB C 13 18.673 0.004 . 1 . . . . 118 ALA CB . 18266 1 370 . 1 1 118 118 ALA N N 15 121.276 0.042 . 1 . . . . 118 ALA N . 18266 1 371 . 1 1 119 119 VAL H H 1 8.281 0.004 . 1 . . . . 119 VAL HN . 18266 1 372 . 1 1 119 119 VAL C C 13 173.943 0.015 . 1 . . . . 119 VAL C . 18266 1 373 . 1 1 119 119 VAL CA C 13 63.520 0.023 . 1 . . . . 119 VAL CA . 18266 1 374 . 1 1 119 119 VAL CB C 13 31.243 0.000 . 1 . . . . 119 VAL CB . 18266 1 375 . 1 1 119 119 VAL N N 15 120.455 0.032 . 1 . . . . 119 VAL N . 18266 1 376 . 1 1 120 120 LEU H H 1 7.823 0.006 . 1 . . . . 120 LEU HN . 18266 1 377 . 1 1 120 120 LEU C C 13 175.042 0.010 . 1 . . . . 120 LEU C . 18266 1 378 . 1 1 120 120 LEU CA C 13 52.195 0.095 . 1 . . . . 120 LEU CA . 18266 1 379 . 1 1 120 120 LEU CB C 13 43.657 0.029 . 1 . . . . 120 LEU CB . 18266 1 380 . 1 1 120 120 LEU N N 15 122.666 0.034 . 1 . . . . 120 LEU N . 18266 1 381 . 1 1 121 121 MET H H 1 8.191 0.007 . 1 . . . . 121 MET HN . 18266 1 382 . 1 1 121 121 MET C C 13 175.854 0.014 . 1 . . . . 121 MET C . 18266 1 383 . 1 1 121 121 MET CA C 13 52.553 0.080 . 1 . . . . 121 MET CA . 18266 1 384 . 1 1 121 121 MET CB C 13 33.494 0.097 . 1 . . . . 121 MET CB . 18266 1 385 . 1 1 121 121 MET N N 15 117.803 0.031 . 1 . . . . 121 MET N . 18266 1 386 . 1 1 122 122 HIS H H 1 8.697 0.004 . 1 . . . . 122 HIS HN . 18266 1 387 . 1 1 122 122 HIS C C 13 174.498 0.000 . 1 . . . . 122 HIS C . 18266 1 388 . 1 1 122 122 HIS CA C 13 55.789 0.016 . 1 . . . . 122 HIS CA . 18266 1 389 . 1 1 122 122 HIS CB C 13 31.316 0.161 . 1 . . . . 122 HIS CB . 18266 1 390 . 1 1 122 122 HIS N N 15 120.402 0.034 . 1 . . . . 122 HIS N . 18266 1 391 . 1 1 123 123 LYS H H 1 9.372 0.004 . 1 . . . . 123 LYS HN . 18266 1 392 . 1 1 123 123 LYS C C 13 176.528 0.012 . 1 . . . . 123 LYS C . 18266 1 393 . 1 1 123 123 LYS CA C 13 56.459 0.033 . 1 . . . . 123 LYS CA . 18266 1 394 . 1 1 123 123 LYS CB C 13 28.684 0.140 . 1 . . . . 123 LYS CB . 18266 1 395 . 1 1 123 123 LYS N N 15 128.596 0.064 . 1 . . . . 123 LYS N . 18266 1 396 . 1 1 124 124 GLY H H 1 8.591 0.007 . 1 . . . . 124 GLY HN . 18266 1 397 . 1 1 124 124 GLY C C 13 173.608 0.004 . 1 . . . . 124 GLY C . 18266 1 398 . 1 1 124 124 GLY CA C 13 44.719 0.076 . 1 . . . . 124 GLY CA . 18266 1 399 . 1 1 124 124 GLY N N 15 104.684 0.035 . 1 . . . . 124 GLY N . 18266 1 400 . 1 1 125 125 LYS H H 1 7.788 0.004 . 1 . . . . 125 LYS HN . 18266 1 401 . 1 1 125 125 LYS C C 13 174.847 0.004 . 1 . . . . 125 LYS C . 18266 1 402 . 1 1 125 125 LYS CA C 13 54.442 0.030 . 1 . . . . 125 LYS CA . 18266 1 403 . 1 1 125 125 LYS CB C 13 32.618 0.033 . 1 . . . . 125 LYS CB . 18266 1 404 . 1 1 125 125 LYS N N 15 122.337 0.034 . 1 . . . . 125 LYS N . 18266 1 405 . 1 1 126 126 ARG H H 1 8.264 0.004 . 1 . . . . 126 ARG HN . 18266 1 406 . 1 1 126 126 ARG C C 13 176.235 0.009 . 1 . . . . 126 ARG C . 18266 1 407 . 1 1 126 126 ARG CA C 13 55.586 0.116 . 1 . . . . 126 ARG CA . 18266 1 408 . 1 1 126 126 ARG CB C 13 31.031 0.005 . 1 . . . . 126 ARG CB . 18266 1 409 . 1 1 126 126 ARG N N 15 124.022 0.027 . 1 . . . . 126 ARG N . 18266 1 410 . 1 1 127 127 ILE H H 1 9.280 0.005 . 1 . . . . 127 ILE HN . 18266 1 411 . 1 1 127 127 ILE C C 13 174.777 0.001 . 1 . . . . 127 ILE C . 18266 1 412 . 1 1 127 127 ILE CA C 13 60.481 0.043 . 1 . . . . 127 ILE CA . 18266 1 413 . 1 1 127 127 ILE CB C 13 38.437 0.030 . 1 . . . . 127 ILE CB . 18266 1 414 . 1 1 127 127 ILE N N 15 126.312 0.037 . 1 . . . . 127 ILE N . 18266 1 415 . 1 1 128 128 GLU H H 1 8.502 0.007 . 1 . . . . 128 GLU HN . 18266 1 416 . 1 1 128 128 GLU C C 13 174.724 0.000 . 1 . . . . 128 GLU C . 18266 1 417 . 1 1 128 128 GLU CA C 13 53.888 0.017 . 1 . . . . 128 GLU CA . 18266 1 418 . 1 1 128 128 GLU CB C 13 28.771 0.000 . 1 . . . . 128 GLU CB . 18266 1 419 . 1 1 128 128 GLU N N 15 125.493 0.018 . 1 . . . . 128 GLU N . 18266 1 420 . 1 1 129 129 PRO CA C 13 62.952 0.009 . 1 . . . . 129 PRO CA . 18266 1 421 . 1 1 129 129 PRO CB C 13 30.780 0.000 . 1 . . . . 129 PRO CB . 18266 1 422 . 1 1 130 130 SER H H 1 9.271 0.007 . 1 . . . . 130 SER HN . 18266 1 423 . 1 1 130 130 SER C C 13 173.453 0.010 . 1 . . . . 130 SER C . 18266 1 424 . 1 1 130 130 SER CA C 13 58.491 0.081 . 1 . . . . 130 SER CA . 18266 1 425 . 1 1 130 130 SER CB C 13 64.507 0.092 . 1 . . . . 130 SER CB . 18266 1 426 . 1 1 130 130 SER N N 15 117.289 0.066 . 1 . . . . 130 SER N . 18266 1 427 . 1 1 131 131 TRP H H 1 7.805 0.005 . 1 . . . . 131 TRP HN . 18266 1 428 . 1 1 131 131 TRP C C 13 172.398 0.015 . 1 . . . . 131 TRP C . 18266 1 429 . 1 1 131 131 TRP CA C 13 57.475 0.113 . 1 . . . . 131 TRP CA . 18266 1 430 . 1 1 131 131 TRP CB C 13 29.474 0.106 . 1 . . . . 131 TRP CB . 18266 1 431 . 1 1 131 131 TRP N N 15 124.285 0.059 . 1 . . . . 131 TRP N . 18266 1 432 . 1 1 132 132 ALA H H 1 6.926 0.009 . 1 . . . . 132 ALA HN . 18266 1 433 . 1 1 132 132 ALA C C 13 174.917 0.004 . 1 . . . . 132 ALA C . 18266 1 434 . 1 1 132 132 ALA CA C 13 51.225 0.040 . 1 . . . . 132 ALA CA . 18266 1 435 . 1 1 132 132 ALA CB C 13 21.752 0.032 . 1 . . . . 132 ALA CB . 18266 1 436 . 1 1 132 132 ALA N N 15 125.811 0.044 . 1 . . . . 132 ALA N . 18266 1 437 . 1 1 133 133 ASP H H 1 7.433 0.003 . 1 . . . . 133 ASP HN . 18266 1 438 . 1 1 133 133 ASP C C 13 176.290 0.025 . 1 . . . . 133 ASP C . 18266 1 439 . 1 1 133 133 ASP CA C 13 52.587 0.000 . 1 . . . . 133 ASP CA . 18266 1 440 . 1 1 133 133 ASP CB C 13 42.734 0.046 . 1 . . . . 133 ASP CB . 18266 1 441 . 1 1 133 133 ASP N N 15 118.164 0.027 . 1 . . . . 133 ASP N . 18266 1 442 . 1 1 134 134 VAL H H 1 8.056 0.006 . 1 . . . . 134 VAL HN . 18266 1 443 . 1 1 134 134 VAL C C 13 176.907 0.008 . 1 . . . . 134 VAL C . 18266 1 444 . 1 1 134 134 VAL CA C 13 64.959 0.060 . 1 . . . . 134 VAL CA . 18266 1 445 . 1 1 134 134 VAL CB C 13 29.862 0.000 . 1 . . . . 134 VAL CB . 18266 1 446 . 1 1 134 134 VAL N N 15 124.663 0.034 . 1 . . . . 134 VAL N . 18266 1 447 . 1 1 135 135 LYS H H 1 7.495 0.006 . 1 . . . . 135 LYS HN . 18266 1 448 . 1 1 135 135 LYS C C 13 178.533 0.009 . 1 . . . . 135 LYS C . 18266 1 449 . 1 1 135 135 LYS CA C 13 58.505 0.071 . 1 . . . . 135 LYS CA . 18266 1 450 . 1 1 135 135 LYS CB C 13 30.700 0.000 . 1 . . . . 135 LYS CB . 18266 1 451 . 1 1 135 135 LYS N N 15 118.942 0.051 . 1 . . . . 135 LYS N . 18266 1 452 . 1 1 136 136 LYS H H 1 7.222 0.007 . 1 . . . . 136 LYS HN . 18266 1 453 . 1 1 136 136 LYS C C 13 175.049 0.004 . 1 . . . . 136 LYS C . 18266 1 454 . 1 1 136 136 LYS CA C 13 55.684 0.034 . 1 . . . . 136 LYS CA . 18266 1 455 . 1 1 136 136 LYS CB C 13 32.639 0.000 . 1 . . . . 136 LYS CB . 18266 1 456 . 1 1 136 136 LYS N N 15 117.287 0.053 . 1 . . . . 136 LYS N . 18266 1 457 . 1 1 137 137 ASP H H 1 7.771 0.005 . 1 . . . . 137 ASP HN . 18266 1 458 . 1 1 137 137 ASP C C 13 175.066 0.009 . 1 . . . . 137 ASP C . 18266 1 459 . 1 1 137 137 ASP CA C 13 54.296 0.038 . 1 . . . . 137 ASP CA . 18266 1 460 . 1 1 137 137 ASP CB C 13 39.362 0.023 . 1 . . . . 137 ASP CB . 18266 1 461 . 1 1 137 137 ASP N N 15 119.485 0.059 . 1 . . . . 137 ASP N . 18266 1 462 . 1 1 138 138 LEU H H 1 7.309 0.007 . 1 . . . . 138 LEU HN . 18266 1 463 . 1 1 138 138 LEU C C 13 174.860 0.036 . 1 . . . . 138 LEU C . 18266 1 464 . 1 1 138 138 LEU CA C 13 53.462 0.048 . 1 . . . . 138 LEU CA . 18266 1 465 . 1 1 138 138 LEU CB C 13 45.975 0.001 . 1 . . . . 138 LEU CB . 18266 1 466 . 1 1 138 138 LEU N N 15 116.071 0.039 . 1 . . . . 138 LEU N . 18266 1 467 . 1 1 139 139 ILE H H 1 8.480 0.005 . 1 . . . . 139 ILE HN . 18266 1 468 . 1 1 139 139 ILE C C 13 171.502 0.009 . 1 . . . . 139 ILE C . 18266 1 469 . 1 1 139 139 ILE CA C 13 59.589 0.115 . 1 . . . . 139 ILE CA . 18266 1 470 . 1 1 139 139 ILE CB C 13 40.719 0.070 . 1 . . . . 139 ILE CB . 18266 1 471 . 1 1 139 139 ILE N N 15 118.065 0.048 . 1 . . . . 139 ILE N . 18266 1 472 . 1 1 140 140 SER H H 1 9.862 0.007 . 1 . . . . 140 SER HN . 18266 1 473 . 1 1 140 140 SER C C 13 173.936 0.019 . 1 . . . . 140 SER C . 18266 1 474 . 1 1 140 140 SER CA C 13 56.357 0.025 . 1 . . . . 140 SER CA . 18266 1 475 . 1 1 140 140 SER CB C 13 67.385 0.006 . 1 . . . . 140 SER CB . 18266 1 476 . 1 1 140 140 SER N N 15 121.137 0.022 . 1 . . . . 140 SER N . 18266 1 477 . 1 1 141 141 TYR H H 1 9.368 0.005 . 1 . . . . 141 TYR HN . 18266 1 478 . 1 1 141 141 TYR C C 13 175.728 0.000 . 1 . . . . 141 TYR C . 18266 1 479 . 1 1 141 141 TYR CA C 13 56.794 0.020 . 1 . . . . 141 TYR CA . 18266 1 480 . 1 1 141 141 TYR CB C 13 40.260 0.000 . 1 . . . . 141 TYR CB . 18266 1 481 . 1 1 141 141 TYR N N 15 120.875 0.028 . 1 . . . . 141 TYR N . 18266 1 482 . 1 1 147 147 LEU CA C 13 54.645 0.010 . 1 . . . . 147 LEU CA . 18266 1 483 . 1 1 148 148 GLU H H 1 9.001 0.005 . 1 . . . . 148 GLU HN . 18266 1 484 . 1 1 148 148 GLU CA C 13 55.824 0.131 . 1 . . . . 148 GLU CA . 18266 1 485 . 1 1 148 148 GLU CB C 13 31.454 0.036 . 1 . . . . 148 GLU CB . 18266 1 486 . 1 1 148 148 GLU N N 15 121.704 0.022 . 1 . . . . 148 GLU N . 18266 1 487 . 1 1 149 149 GLY H H 1 7.670 0.005 . 1 . . . . 149 GLY HN . 18266 1 488 . 1 1 149 149 GLY C C 13 172.587 0.012 . 1 . . . . 149 GLY C . 18266 1 489 . 1 1 149 149 GLY CA C 13 45.823 0.078 . 1 . . . . 149 GLY CA . 18266 1 490 . 1 1 149 149 GLY N N 15 109.478 0.015 . 1 . . . . 149 GLY N . 18266 1 491 . 1 1 150 150 GLU H H 1 8.581 0.003 . 1 . . . . 150 GLU HN . 18266 1 492 . 1 1 150 150 GLU C C 13 175.252 0.011 . 1 . . . . 150 GLU C . 18266 1 493 . 1 1 150 150 GLU CA C 13 54.048 0.017 . 1 . . . . 150 GLU CA . 18266 1 494 . 1 1 150 150 GLU CB C 13 31.526 0.043 . 1 . . . . 150 GLU CB . 18266 1 495 . 1 1 150 150 GLU N N 15 125.120 0.040 . 1 . . . . 150 GLU N . 18266 1 496 . 1 1 151 151 TRP H H 1 9.324 0.007 . 1 . . . . 151 TRP HN . 18266 1 497 . 1 1 151 151 TRP C C 13 174.351 0.000 . 1 . . . . 151 TRP C . 18266 1 498 . 1 1 151 151 TRP CA C 13 58.607 0.069 . 1 . . . . 151 TRP CA . 18266 1 499 . 1 1 151 151 TRP CB C 13 27.290 0.000 . 1 . . . . 151 TRP CB . 18266 1 500 . 1 1 151 151 TRP N N 15 129.567 0.044 . 1 . . . . 151 TRP N . 18266 1 501 . 1 1 152 152 LYS C C 13 173.036 0.002 . 1 . . . . 152 LYS C . 18266 1 502 . 1 1 152 152 LYS CA C 13 53.260 0.090 . 1 . . . . 152 LYS CA . 18266 1 503 . 1 1 152 152 LYS CB C 13 32.652 0.000 . 1 . . . . 152 LYS CB . 18266 1 504 . 1 1 153 153 GLU H H 1 7.374 0.004 . 1 . . . . 153 GLU HN . 18266 1 505 . 1 1 153 153 GLU C C 13 176.966 0.012 . 1 . . . . 153 GLU C . 18266 1 506 . 1 1 153 153 GLU CA C 13 57.130 0.059 . 1 . . . . 153 GLU CA . 18266 1 507 . 1 1 153 153 GLU CB C 13 28.142 0.013 . 1 . . . . 153 GLU CB . 18266 1 508 . 1 1 153 153 GLU N N 15 121.436 0.013 . 1 . . . . 153 GLU N . 18266 1 509 . 1 1 154 154 GLY H H 1 7.880 0.007 . 1 . . . . 154 GLY HN . 18266 1 510 . 1 1 154 154 GLY C C 13 174.227 0.013 . 1 . . . . 154 GLY C . 18266 1 511 . 1 1 154 154 GLY CA C 13 44.489 0.121 . 1 . . . . 154 GLY CA . 18266 1 512 . 1 1 154 154 GLY N N 15 113.447 0.037 . 1 . . . . 154 GLY N . 18266 1 513 . 1 1 155 155 GLU H H 1 7.766 0.005 . 1 . . . . 155 GLU HN . 18266 1 514 . 1 1 155 155 GLU C C 13 177.233 0.005 . 1 . . . . 155 GLU C . 18266 1 515 . 1 1 155 155 GLU CA C 13 55.683 0.014 . 1 . . . . 155 GLU CA . 18266 1 516 . 1 1 155 155 GLU CB C 13 29.329 0.000 . 1 . . . . 155 GLU CB . 18266 1 517 . 1 1 155 155 GLU N N 15 120.230 0.041 . 1 . . . . 155 GLU N . 18266 1 518 . 1 1 156 156 GLU H H 1 8.637 0.004 . 1 . . . . 156 GLU HN . 18266 1 519 . 1 1 156 156 GLU C C 13 175.524 0.013 . 1 . . . . 156 GLU C . 18266 1 520 . 1 1 156 156 GLU CA C 13 56.791 0.017 . 1 . . . . 156 GLU CA . 18266 1 521 . 1 1 156 156 GLU CB C 13 31.044 0.140 . 1 . . . . 156 GLU CB . 18266 1 522 . 1 1 156 156 GLU N N 15 121.382 0.020 . 1 . . . . 156 GLU N . 18266 1 523 . 1 1 157 157 VAL H H 1 8.691 0.005 . 1 . . . . 157 VAL HN . 18266 1 524 . 1 1 157 157 VAL C C 13 174.816 0.008 . 1 . . . . 157 VAL C . 18266 1 525 . 1 1 157 157 VAL CA C 13 58.337 0.041 . 1 . . . . 157 VAL CA . 18266 1 526 . 1 1 157 157 VAL CB C 13 35.005 0.034 . 1 . . . . 157 VAL CB . 18266 1 527 . 1 1 157 157 VAL N N 15 110.116 0.031 . 1 . . . . 157 VAL N . 18266 1 528 . 1 1 158 158 GLN H H 1 9.050 0.005 . 1 . . . . 158 GLN HN . 18266 1 529 . 1 1 158 158 GLN C C 13 176.185 0.007 . 1 . . . . 158 GLN C . 18266 1 530 . 1 1 158 158 GLN CA C 13 53.057 0.090 . 1 . . . . 158 GLN CA . 18266 1 531 . 1 1 158 158 GLN CB C 13 29.293 0.000 . 1 . . . . 158 GLN CB . 18266 1 532 . 1 1 158 158 GLN N N 15 117.123 0.025 . 1 . . . . 158 GLN N . 18266 1 533 . 1 1 159 159 VAL H H 1 8.711 0.004 . 1 . . . . 159 VAL HN . 18266 1 534 . 1 1 159 159 VAL C C 13 174.213 0.007 . 1 . . . . 159 VAL C . 18266 1 535 . 1 1 159 159 VAL CA C 13 60.985 0.103 . 1 . . . . 159 VAL CA . 18266 1 536 . 1 1 159 159 VAL CB C 13 30.743 0.026 . 1 . . . . 159 VAL CB . 18266 1 537 . 1 1 159 159 VAL N N 15 121.202 0.021 . 1 . . . . 159 VAL N . 18266 1 538 . 1 1 160 160 LEU H H 1 8.239 0.004 . 1 . . . . 160 LEU HN . 18266 1 539 . 1 1 160 160 LEU C C 13 173.083 0.002 . 1 . . . . 160 LEU C . 18266 1 540 . 1 1 160 160 LEU CA C 13 52.520 0.005 . 1 . . . . 160 LEU CA . 18266 1 541 . 1 1 160 160 LEU CB C 13 38.257 0.029 . 1 . . . . 160 LEU CB . 18266 1 542 . 1 1 160 160 LEU N N 15 132.250 0.023 . 1 . . . . 160 LEU N . 18266 1 543 . 1 1 161 161 ALA H H 1 7.624 0.004 . 1 . . . . 161 ALA HN . 18266 1 544 . 1 1 161 161 ALA C C 13 178.366 0.003 . 1 . . . . 161 ALA C . 18266 1 545 . 1 1 161 161 ALA CA C 13 51.840 0.081 . 1 . . . . 161 ALA CA . 18266 1 546 . 1 1 161 161 ALA CB C 13 16.221 0.048 . 1 . . . . 161 ALA CB . 18266 1 547 . 1 1 161 161 ALA N N 15 123.193 0.023 . 1 . . . . 161 ALA N . 18266 1 548 . 1 1 162 162 LEU H H 1 7.363 0.005 . 1 . . . . 162 LEU HN . 18266 1 549 . 1 1 162 162 LEU C C 13 174.998 0.005 . 1 . . . . 162 LEU C . 18266 1 550 . 1 1 162 162 LEU CA C 13 51.636 0.058 . 1 . . . . 162 LEU CA . 18266 1 551 . 1 1 162 162 LEU CB C 13 38.427 0.000 . 1 . . . . 162 LEU CB . 18266 1 552 . 1 1 162 162 LEU N N 15 127.998 0.040 . 1 . . . . 162 LEU N . 18266 1 553 . 1 1 163 163 GLU H H 1 7.954 0.005 . 1 . . . . 163 GLU HN . 18266 1 554 . 1 1 163 163 GLU C C 13 175.895 0.000 . 1 . . . . 163 GLU C . 18266 1 555 . 1 1 163 163 GLU CA C 13 54.312 0.067 . 1 . . . . 163 GLU CA . 18266 1 556 . 1 1 163 163 GLU CB C 13 28.385 0.000 . 1 . . . . 163 GLU CB . 18266 1 557 . 1 1 163 163 GLU N N 15 120.908 0.036 . 1 . . . . 163 GLU N . 18266 1 558 . 1 1 165 165 GLY C C 13 173.068 0.000 . 1 . . . . 165 GLY C . 18266 1 559 . 1 1 165 165 GLY CA C 13 45.411 0.022 . 1 . . . . 165 GLY CA . 18266 1 560 . 1 1 166 166 LYS H H 1 7.464 0.006 . 1 . . . . 166 LYS HN . 18266 1 561 . 1 1 166 166 LYS C C 13 176.008 0.000 . 1 . . . . 166 LYS C . 18266 1 562 . 1 1 166 166 LYS CA C 13 53.102 0.015 . 1 . . . . 166 LYS CA . 18266 1 563 . 1 1 166 166 LYS CB C 13 34.481 0.000 . 1 . . . . 166 LYS CB . 18266 1 564 . 1 1 166 166 LYS N N 15 118.338 0.047 . 1 . . . . 166 LYS N . 18266 1 565 . 1 1 168 168 PRO C C 13 174.633 0.011 . 1 . . . . 168 PRO C . 18266 1 566 . 1 1 168 168 PRO CA C 13 63.199 0.045 . 1 . . . . 168 PRO CA . 18266 1 567 . 1 1 168 168 PRO CB C 13 30.175 0.000 . 1 . . . . 168 PRO CB . 18266 1 568 . 1 1 169 169 ARG H H 1 7.768 0.005 . 1 . . . . 169 ARG HN . 18266 1 569 . 1 1 169 169 ARG C C 13 172.161 0.008 . 1 . . . . 169 ARG C . 18266 1 570 . 1 1 169 169 ARG CA C 13 54.527 0.058 . 1 . . . . 169 ARG CA . 18266 1 571 . 1 1 169 169 ARG CB C 13 32.639 0.009 . 1 . . . . 169 ARG CB . 18266 1 572 . 1 1 169 169 ARG N N 15 123.406 0.025 . 1 . . . . 169 ARG N . 18266 1 573 . 1 1 170 170 ALA H H 1 8.302 0.004 . 1 . . . . 170 ALA HN . 18266 1 574 . 1 1 170 170 ALA C C 13 176.964 0.005 . 1 . . . . 170 ALA C . 18266 1 575 . 1 1 170 170 ALA CA C 13 49.905 0.071 . 1 . . . . 170 ALA CA . 18266 1 576 . 1 1 170 170 ALA CB C 13 19.256 0.018 . 1 . . . . 170 ALA CB . 18266 1 577 . 1 1 170 170 ALA N N 15 127.074 0.028 . 1 . . . . 170 ALA N . 18266 1 578 . 1 1 171 171 VAL H H 1 8.265 0.005 . 1 . . . . 171 VAL HN . 18266 1 579 . 1 1 171 171 VAL C C 13 173.709 0.006 . 1 . . . . 171 VAL C . 18266 1 580 . 1 1 171 171 VAL CA C 13 61.164 0.093 . 1 . . . . 171 VAL CA . 18266 1 581 . 1 1 171 171 VAL CB C 13 33.461 0.073 . 1 . . . . 171 VAL CB . 18266 1 582 . 1 1 171 171 VAL N N 15 122.438 0.018 . 1 . . . . 171 VAL N . 18266 1 583 . 1 1 172 172 GLN H H 1 9.276 0.007 . 1 . . . . 172 GLN HN . 18266 1 584 . 1 1 172 172 GLN C C 13 173.619 0.008 . 1 . . . . 172 GLN C . 18266 1 585 . 1 1 172 172 GLN CA C 13 53.946 0.016 . 1 . . . . 172 GLN CA . 18266 1 586 . 1 1 172 172 GLN CB C 13 30.258 0.025 . 1 . . . . 172 GLN CB . 18266 1 587 . 1 1 172 172 GLN N N 15 130.238 0.010 . 1 . . . . 172 GLN N . 18266 1 588 . 1 1 173 173 THR H H 1 9.059 0.004 . 1 . . . . 173 THR HN . 18266 1 589 . 1 1 173 173 THR C C 13 170.740 0.020 . 1 . . . . 173 THR C . 18266 1 590 . 1 1 173 173 THR CA C 13 60.021 0.044 . 1 . . . . 173 THR CA . 18266 1 591 . 1 1 173 173 THR CB C 13 69.875 0.000 . 1 . . . . 173 THR CB . 18266 1 592 . 1 1 173 173 THR N N 15 118.117 0.022 . 1 . . . . 173 THR N . 18266 1 593 . 1 1 174 174 LYS H H 1 7.830 0.004 . 1 . . . . 174 LYS HN . 18266 1 594 . 1 1 174 174 LYS C C 13 173.497 0.000 . 1 . . . . 174 LYS C . 18266 1 595 . 1 1 174 174 LYS CA C 13 52.499 0.017 . 1 . . . . 174 LYS CA . 18266 1 596 . 1 1 174 174 LYS CB C 13 31.832 0.000 . 1 . . . . 174 LYS CB . 18266 1 597 . 1 1 174 174 LYS N N 15 127.700 0.031 . 1 . . . . 174 LYS N . 18266 1 598 . 1 1 175 175 PRO C C 13 178.230 0.025 . 1 . . . . 175 PRO C . 18266 1 599 . 1 1 175 175 PRO CA C 13 62.993 0.032 . 1 . . . . 175 PRO CA . 18266 1 600 . 1 1 175 175 PRO CB C 13 31.220 0.000 . 1 . . . . 175 PRO CB . 18266 1 601 . 1 1 176 176 GLY H H 1 8.530 0.007 . 1 . . . . 176 GLY HN . 18266 1 602 . 1 1 176 176 GLY C C 13 172.304 0.017 . 1 . . . . 176 GLY C . 18266 1 603 . 1 1 176 176 GLY CA C 13 42.815 0.035 . 1 . . . . 176 GLY CA . 18266 1 604 . 1 1 176 176 GLY N N 15 107.924 0.035 . 1 . . . . 176 GLY N . 18266 1 605 . 1 1 177 177 LEU H H 1 8.413 0.002 . 1 . . . . 177 LEU HN . 18266 1 606 . 1 1 177 177 LEU C C 13 175.419 0.027 . 1 . . . . 177 LEU C . 18266 1 607 . 1 1 177 177 LEU CA C 13 53.703 0.013 . 1 . . . . 177 LEU CA . 18266 1 608 . 1 1 177 177 LEU CB C 13 45.837 0.000 . 1 . . . . 177 LEU CB . 18266 1 609 . 1 1 177 177 LEU N N 15 118.058 0.029 . 1 . . . . 177 LEU N . 18266 1 610 . 1 1 178 178 PHE H H 1 9.285 0.006 . 1 . . . . 178 PHE HN . 18266 1 611 . 1 1 178 178 PHE C C 13 175.888 0.008 . 1 . . . . 178 PHE C . 18266 1 612 . 1 1 178 178 PHE CA C 13 53.119 0.119 . 1 . . . . 178 PHE CA . 18266 1 613 . 1 1 178 178 PHE CB C 13 38.685 0.000 . 1 . . . . 178 PHE CB . 18266 1 614 . 1 1 178 178 PHE N N 15 119.829 0.059 . 1 . . . . 178 PHE N . 18266 1 615 . 1 1 179 179 LYS H H 1 9.133 0.004 . 1 . . . . 179 LYS HN . 18266 1 616 . 1 1 179 179 LYS C C 13 176.487 0.006 . 1 . . . . 179 LYS C . 18266 1 617 . 1 1 179 179 LYS CA C 13 55.388 0.036 . 1 . . . . 179 LYS CA . 18266 1 618 . 1 1 179 179 LYS CB C 13 31.455 0.000 . 1 . . . . 179 LYS CB . 18266 1 619 . 1 1 179 179 LYS N N 15 122.980 0.041 . 1 . . . . 179 LYS N . 18266 1 620 . 1 1 180 180 THR H H 1 8.201 0.009 . 1 . . . . 180 THR HN . 18266 1 621 . 1 1 180 180 THR C C 13 175.120 0.000 . 1 . . . . 180 THR C . 18266 1 622 . 1 1 180 180 THR CA C 13 59.397 0.026 . 1 . . . . 180 THR CA . 18266 1 623 . 1 1 180 180 THR CB C 13 70.413 0.000 . 1 . . . . 180 THR CB . 18266 1 624 . 1 1 180 180 THR N N 15 116.232 0.054 . 1 . . . . 180 THR N . 18266 1 625 . 1 1 183 183 GLY C C 13 173.044 0.000 . 1 . . . . 183 GLY C . 18266 1 626 . 1 1 183 183 GLY CA C 13 44.610 0.090 . 1 . . . . 183 GLY CA . 18266 1 627 . 1 1 184 184 THR H H 1 8.433 0.004 . 1 . . . . 184 THR HN . 18266 1 628 . 1 1 184 184 THR C C 13 174.236 0.002 . 1 . . . . 184 THR C . 18266 1 629 . 1 1 184 184 THR CA C 13 60.581 0.030 . 1 . . . . 184 THR CA . 18266 1 630 . 1 1 184 184 THR CB C 13 70.413 0.000 . 1 . . . . 184 THR CB . 18266 1 631 . 1 1 184 184 THR N N 15 116.341 0.050 . 1 . . . . 184 THR N . 18266 1 632 . 1 1 185 185 ILE H H 1 8.976 0.006 . 1 . . . . 185 ILE HN . 18266 1 633 . 1 1 185 185 ILE C C 13 174.964 0.002 . 1 . . . . 185 ILE C . 18266 1 634 . 1 1 185 185 ILE CA C 13 59.577 0.080 . 1 . . . . 185 ILE CA . 18266 1 635 . 1 1 185 185 ILE CB C 13 41.906 0.032 . 1 . . . . 185 ILE CB . 18266 1 636 . 1 1 185 185 ILE N N 15 123.619 0.031 . 1 . . . . 185 ILE N . 18266 1 637 . 1 1 186 186 GLY H H 1 8.881 0.007 . 1 . . . . 186 GLY HN . 18266 1 638 . 1 1 186 186 GLY C C 13 171.612 0.009 . 1 . . . . 186 GLY C . 18266 1 639 . 1 1 186 186 GLY CA C 13 45.999 0.048 . 1 . . . . 186 GLY CA . 18266 1 640 . 1 1 186 186 GLY N N 15 112.108 0.035 . 1 . . . . 186 GLY N . 18266 1 641 . 1 1 187 187 ALA H H 1 6.900 0.005 . 1 . . . . 187 ALA HN . 18266 1 642 . 1 1 187 187 ALA C C 13 175.837 0.005 . 1 . . . . 187 ALA C . 18266 1 643 . 1 1 187 187 ALA CA C 13 49.486 0.145 . 1 . . . . 187 ALA CA . 18266 1 644 . 1 1 187 187 ALA CB C 13 19.355 0.047 . 1 . . . . 187 ALA CB . 18266 1 645 . 1 1 187 187 ALA N N 15 124.016 0.044 . 1 . . . . 187 ALA N . 18266 1 646 . 1 1 188 188 VAL H H 1 9.085 0.005 . 1 . . . . 188 VAL HN . 18266 1 647 . 1 1 188 188 VAL C C 13 175.111 0.018 . 1 . . . . 188 VAL C . 18266 1 648 . 1 1 188 188 VAL CA C 13 58.584 0.117 . 1 . . . . 188 VAL CA . 18266 1 649 . 1 1 188 188 VAL CB C 13 32.530 0.000 . 1 . . . . 188 VAL CB . 18266 1 650 . 1 1 188 188 VAL N N 15 116.898 0.051 . 1 . . . . 188 VAL N . 18266 1 651 . 1 1 189 189 SER H H 1 9.652 0.009 . 1 . . . . 189 SER HN . 18266 1 652 . 1 1 189 189 SER C C 13 175.147 0.000 . 1 . . . . 189 SER C . 18266 1 653 . 1 1 189 189 SER CA C 13 54.545 0.054 . 1 . . . . 189 SER CA . 18266 1 654 . 1 1 189 189 SER CB C 13 62.091 0.000 . 1 . . . . 189 SER CB . 18266 1 655 . 1 1 189 189 SER N N 15 127.725 0.100 . 1 . . . . 189 SER N . 18266 1 656 . 1 1 191 191 ASP C C 13 173.946 0.000 . 1 . . . . 191 ASP C . 18266 1 657 . 1 1 191 191 ASP CA C 13 52.786 0.048 . 1 . . . . 191 ASP CA . 18266 1 658 . 1 1 192 192 PHE H H 1 6.896 0.004 . 1 . . . . 192 PHE HN . 18266 1 659 . 1 1 192 192 PHE C C 13 174.245 0.011 . 1 . . . . 192 PHE C . 18266 1 660 . 1 1 192 192 PHE CA C 13 55.838 0.118 . 1 . . . . 192 PHE CA . 18266 1 661 . 1 1 192 192 PHE CB C 13 41.309 0.007 . 1 . . . . 192 PHE CB . 18266 1 662 . 1 1 192 192 PHE N N 15 121.563 0.037 . 1 . . . . 192 PHE N . 18266 1 663 . 1 1 193 193 SER H H 1 9.367 0.006 . 1 . . . . 193 SER HN . 18266 1 664 . 1 1 193 193 SER C C 13 172.555 0.000 . 1 . . . . 193 SER C . 18266 1 665 . 1 1 193 193 SER CA C 13 59.292 2.311 . 1 . . . . 193 SER CA . 18266 1 666 . 1 1 193 193 SER N N 15 115.534 0.072 . 1 . . . . 193 SER N . 18266 1 667 . 1 1 196 196 THR C C 13 176.114 0.000 . 1 . . . . 196 THR C . 18266 1 668 . 1 1 196 196 THR CA C 13 62.517 0.000 . 1 . . . . 196 THR CA . 18266 1 669 . 1 1 197 197 SER H H 1 8.360 0.007 . 1 . . . . 197 SER HN . 18266 1 670 . 1 1 197 197 SER C C 13 173.404 0.032 . 1 . . . . 197 SER C . 18266 1 671 . 1 1 197 197 SER CA C 13 60.843 0.036 . 1 . . . . 197 SER CA . 18266 1 672 . 1 1 197 197 SER CB C 13 65.035 0.006 . 1 . . . . 197 SER CB . 18266 1 673 . 1 1 197 197 SER N N 15 125.162 0.040 . 1 . . . . 197 SER N . 18266 1 674 . 1 1 198 198 GLY H H 1 9.719 0.006 . 1 . . . . 198 GLY HN . 18266 1 675 . 1 1 198 198 GLY C C 13 172.575 0.055 . 1 . . . . 198 GLY C . 18266 1 676 . 1 1 198 198 GLY CA C 13 43.509 0.159 . 1 . . . . 198 GLY CA . 18266 1 677 . 1 1 198 198 GLY N N 15 108.787 0.055 . 1 . . . . 198 GLY N . 18266 1 678 . 1 1 199 199 SER H H 1 8.203 0.004 . 1 . . . . 199 SER HN . 18266 1 679 . 1 1 199 199 SER N N 15 106.199 0.021 . 1 . . . . 199 SER N . 18266 1 680 . 1 1 200 200 PRO C C 13 173.353 0.000 . 1 . . . . 200 PRO C . 18266 1 681 . 1 1 201 201 ILE H H 1 8.188 0.004 . 1 . . . . 201 ILE HN . 18266 1 682 . 1 1 201 201 ILE C C 13 175.609 0.021 . 1 . . . . 201 ILE C . 18266 1 683 . 1 1 201 201 ILE CA C 13 59.722 0.015 . 1 . . . . 201 ILE CA . 18266 1 684 . 1 1 201 201 ILE CB C 13 36.841 0.152 . 1 . . . . 201 ILE CB . 18266 1 685 . 1 1 201 201 ILE N N 15 120.439 0.024 . 1 . . . . 201 ILE N . 18266 1 686 . 1 1 202 202 VAL H H 1 9.763 0.005 . 1 . . . . 202 VAL HN . 18266 1 687 . 1 1 202 202 VAL C C 13 175.335 0.002 . 1 . . . . 202 VAL C . 18266 1 688 . 1 1 202 202 VAL CA C 13 59.857 0.083 . 1 . . . . 202 VAL CA . 18266 1 689 . 1 1 202 202 VAL CB C 13 34.819 0.049 . 1 . . . . 202 VAL CB . 18266 1 690 . 1 1 202 202 VAL N N 15 126.221 0.040 . 1 . . . . 202 VAL N . 18266 1 691 . 1 1 203 203 ASP H H 1 8.747 0.006 . 1 . . . . 203 ASP HN . 18266 1 692 . 1 1 203 203 ASP C C 13 178.389 0.013 . 1 . . . . 203 ASP C . 18266 1 693 . 1 1 203 203 ASP CA C 13 51.653 0.024 . 1 . . . . 203 ASP CA . 18266 1 694 . 1 1 203 203 ASP CB C 13 41.952 0.053 . 1 . . . . 203 ASP CB . 18266 1 695 . 1 1 203 203 ASP N N 15 122.779 0.033 . 1 . . . . 203 ASP N . 18266 1 696 . 1 1 204 204 LYS H H 1 7.792 0.005 . 1 . . . . 204 LYS HN . 18266 1 697 . 1 1 204 204 LYS C C 13 178.103 0.020 . 1 . . . . 204 LYS C . 18266 1 698 . 1 1 204 204 LYS CA C 13 57.574 0.036 . 1 . . . . 204 LYS CA . 18266 1 699 . 1 1 204 204 LYS CB C 13 30.491 0.000 . 1 . . . . 204 LYS CB . 18266 1 700 . 1 1 204 204 LYS N N 15 116.252 0.026 . 1 . . . . 204 LYS N . 18266 1 701 . 1 1 205 205 LYS H H 1 7.738 0.005 . 1 . . . . 205 LYS HN . 18266 1 702 . 1 1 205 205 LYS C C 13 176.969 0.021 . 1 . . . . 205 LYS C . 18266 1 703 . 1 1 205 205 LYS CA C 13 54.925 0.057 . 1 . . . . 205 LYS CA . 18266 1 704 . 1 1 205 205 LYS CB C 13 30.699 0.000 . 1 . . . . 205 LYS CB . 18266 1 705 . 1 1 205 205 LYS N N 15 118.897 0.038 . 1 . . . . 205 LYS N . 18266 1 706 . 1 1 206 206 GLY H H 1 8.646 0.006 . 1 . . . . 206 GLY HN . 18266 1 707 . 1 1 206 206 GLY C C 13 173.731 0.014 . 1 . . . . 206 GLY C . 18266 1 708 . 1 1 206 206 GLY CA C 13 45.138 0.042 . 1 . . . . 206 GLY CA . 18266 1 709 . 1 1 206 206 GLY N N 15 110.099 0.056 . 1 . . . . 206 GLY N . 18266 1 710 . 1 1 207 207 LYS H H 1 8.398 0.004 . 1 . . . . 207 LYS HN . 18266 1 711 . 1 1 207 207 LYS C C 13 175.454 0.004 . 1 . . . . 207 LYS C . 18266 1 712 . 1 1 207 207 LYS CA C 13 53.669 0.046 . 1 . . . . 207 LYS CA . 18266 1 713 . 1 1 207 207 LYS CB C 13 30.711 0.000 . 1 . . . . 207 LYS CB . 18266 1 714 . 1 1 207 207 LYS N N 15 120.326 0.038 . 1 . . . . 207 LYS N . 18266 1 715 . 1 1 208 208 VAL H H 1 8.884 0.006 . 1 . . . . 208 VAL HN . 18266 1 716 . 1 1 208 208 VAL C C 13 176.695 0.017 . 1 . . . . 208 VAL C . 18266 1 717 . 1 1 208 208 VAL CA C 13 62.111 0.068 . 1 . . . . 208 VAL CA . 18266 1 718 . 1 1 208 208 VAL CB C 13 29.781 0.000 . 1 . . . . 208 VAL CB . 18266 1 719 . 1 1 208 208 VAL N N 15 123.083 0.038 . 1 . . . . 208 VAL N . 18266 1 720 . 1 1 209 209 VAL H H 1 8.908 0.005 . 1 . . . . 209 VAL HN . 18266 1 721 . 1 1 209 209 VAL C C 13 174.423 0.021 . 1 . . . . 209 VAL C . 18266 1 722 . 1 1 209 209 VAL CA C 13 59.909 0.105 . 1 . . . . 209 VAL CA . 18266 1 723 . 1 1 209 209 VAL CB C 13 29.727 0.000 . 1 . . . . 209 VAL CB . 18266 1 724 . 1 1 209 209 VAL N N 15 121.010 0.039 . 1 . . . . 209 VAL N . 18266 1 725 . 1 1 210 210 GLY H H 1 7.383 0.004 . 1 . . . . 210 GLY HN . 18266 1 726 . 1 1 210 210 GLY C C 13 169.680 0.028 . 1 . . . . 210 GLY C . 18266 1 727 . 1 1 210 210 GLY CA C 13 44.491 0.074 . 1 . . . . 210 GLY CA . 18266 1 728 . 1 1 210 210 GLY N N 15 104.871 0.016 . 1 . . . . 210 GLY N . 18266 1 729 . 1 1 211 211 LEU H H 1 9.127 0.007 . 1 . . . . 211 LEU HN . 18266 1 730 . 1 1 211 211 LEU C C 13 175.910 0.018 . 1 . . . . 211 LEU C . 18266 1 731 . 1 1 211 211 LEU CA C 13 52.947 0.045 . 1 . . . . 211 LEU CA . 18266 1 732 . 1 1 211 211 LEU CB C 13 43.996 0.000 . 1 . . . . 211 LEU CB . 18266 1 733 . 1 1 211 211 LEU N N 15 117.676 0.022 . 1 . . . . 211 LEU N . 18266 1 734 . 1 1 212 212 TYR H H 1 8.373 0.009 . 1 . . . . 212 TYR HN . 18266 1 735 . 1 1 212 212 TYR C C 13 174.700 0.002 . 1 . . . . 212 TYR C . 18266 1 736 . 1 1 212 212 TYR CA C 13 57.521 0.099 . 1 . . . . 212 TYR CA . 18266 1 737 . 1 1 212 212 TYR CB C 13 41.068 0.053 . 1 . . . . 212 TYR CB . 18266 1 738 . 1 1 212 212 TYR N N 15 121.558 0.036 . 1 . . . . 212 TYR N . 18266 1 739 . 1 1 213 213 GLY H H 1 7.537 0.006 . 1 . . . . 213 GLY HN . 18266 1 740 . 1 1 213 213 GLY C C 13 171.572 0.007 . 1 . . . . 213 GLY C . 18266 1 741 . 1 1 213 213 GLY CA C 13 45.825 0.089 . 1 . . . . 213 GLY CA . 18266 1 742 . 1 1 213 213 GLY N N 15 114.001 0.030 . 1 . . . . 213 GLY N . 18266 1 743 . 1 1 214 214 ASN H H 1 9.014 0.007 . 1 . . . . 214 ASN HN . 18266 1 744 . 1 1 214 214 ASN C C 13 175.206 0.015 . 1 . . . . 214 ASN C . 18266 1 745 . 1 1 214 214 ASN CA C 13 51.819 0.086 . 1 . . . . 214 ASN CA . 18266 1 746 . 1 1 214 214 ASN CB C 13 38.519 0.051 . 1 . . . . 214 ASN CB . 18266 1 747 . 1 1 214 214 ASN N N 15 122.001 0.065 . 1 . . . . 214 ASN N . 18266 1 748 . 1 1 215 215 GLY H H 1 6.667 0.006 . 1 . . . . 215 GLY HN . 18266 1 749 . 1 1 215 215 GLY C C 13 171.761 0.026 . 1 . . . . 215 GLY C . 18266 1 750 . 1 1 215 215 GLY CA C 13 45.502 0.063 . 1 . . . . 215 GLY CA . 18266 1 751 . 1 1 215 215 GLY N N 15 112.234 0.032 . 1 . . . . 215 GLY N . 18266 1 752 . 1 1 216 216 VAL H H 1 8.210 0.005 . 1 . . . . 216 VAL HN . 18266 1 753 . 1 1 216 216 VAL C C 13 172.341 0.001 . 1 . . . . 216 VAL C . 18266 1 754 . 1 1 216 216 VAL CA C 13 58.434 0.015 . 1 . . . . 216 VAL CA . 18266 1 755 . 1 1 216 216 VAL CB C 13 34.809 0.010 . 1 . . . . 216 VAL CB . 18266 1 756 . 1 1 216 216 VAL N N 15 111.741 0.049 . 1 . . . . 216 VAL N . 18266 1 757 . 1 1 217 217 VAL H H 1 7.827 0.004 . 1 . . . . 217 VAL HN . 18266 1 758 . 1 1 217 217 VAL C C 13 177.319 0.000 . 1 . . . . 217 VAL C . 18266 1 759 . 1 1 217 217 VAL CA C 13 60.012 0.162 . 1 . . . . 217 VAL CA . 18266 1 760 . 1 1 217 217 VAL CB C 13 31.970 0.022 . 1 . . . . 217 VAL CB . 18266 1 761 . 1 1 217 217 VAL N N 15 119.617 0.040 . 1 . . . . 217 VAL N . 18266 1 762 . 1 1 218 218 THR H H 1 8.797 0.009 . 1 . . . . 218 THR HN . 18266 1 763 . 1 1 218 218 THR C C 13 177.345 0.000 . 1 . . . . 218 THR C . 18266 1 764 . 1 1 218 218 THR CA C 13 60.846 0.032 . 1 . . . . 218 THR CA . 18266 1 765 . 1 1 218 218 THR CB C 13 69.954 0.000 . 1 . . . . 218 THR CB . 18266 1 766 . 1 1 218 218 THR N N 15 117.525 0.050 . 1 . . . . 218 THR N . 18266 1 767 . 1 1 220 220 SER C C 13 174.838 0.000 . 1 . . . . 220 SER C . 18266 1 768 . 1 1 220 220 SER CA C 13 58.108 0.000 . 1 . . . . 220 SER CA . 18266 1 769 . 1 1 220 220 SER CB C 13 63.003 0.000 . 1 . . . . 220 SER CB . 18266 1 770 . 1 1 221 221 GLY H H 1 8.046 0.004 . 1 . . . . 221 GLY HN . 18266 1 771 . 1 1 221 221 GLY C C 13 173.625 0.011 . 1 . . . . 221 GLY C . 18266 1 772 . 1 1 221 221 GLY CA C 13 44.363 0.117 . 1 . . . . 221 GLY CA . 18266 1 773 . 1 1 221 221 GLY N N 15 111.219 0.028 . 1 . . . . 221 GLY N . 18266 1 774 . 1 1 222 222 ALA H H 1 7.232 0.006 . 1 . . . . 222 ALA HN . 18266 1 775 . 1 1 222 222 ALA C C 13 175.576 0.014 . 1 . . . . 222 ALA C . 18266 1 776 . 1 1 222 222 ALA CA C 13 51.316 0.029 . 1 . . . . 222 ALA CA . 18266 1 777 . 1 1 222 222 ALA CB C 13 17.760 0.009 . 1 . . . . 222 ALA CB . 18266 1 778 . 1 1 222 222 ALA N N 15 124.381 0.044 . 1 . . . . 222 ALA N . 18266 1 779 . 1 1 223 223 TYR H H 1 7.992 0.004 . 1 . . . . 223 TYR HN . 18266 1 780 . 1 1 223 223 TYR C C 13 174.635 0.011 . 1 . . . . 223 TYR C . 18266 1 781 . 1 1 223 223 TYR CA C 13 57.999 0.016 . 1 . . . . 223 TYR CA . 18266 1 782 . 1 1 223 223 TYR CB C 13 39.364 0.148 . 1 . . . . 223 TYR CB . 18266 1 783 . 1 1 223 223 TYR N N 15 123.474 0.015 . 1 . . . . 223 TYR N . 18266 1 784 . 1 1 224 224 VAL H H 1 7.800 0.006 . 1 . . . . 224 VAL HN . 18266 1 785 . 1 1 224 224 VAL C C 13 174.112 0.017 . 1 . . . . 224 VAL C . 18266 1 786 . 1 1 224 224 VAL CA C 13 59.653 0.071 . 1 . . . . 224 VAL CA . 18266 1 787 . 1 1 224 224 VAL CB C 13 32.920 0.044 . 1 . . . . 224 VAL CB . 18266 1 788 . 1 1 224 224 VAL N N 15 126.525 0.034 . 1 . . . . 224 VAL N . 18266 1 789 . 1 1 225 225 SER H H 1 8.513 0.006 . 1 . . . . 225 SER HN . 18266 1 790 . 1 1 225 225 SER C C 13 175.682 0.004 . 1 . . . . 225 SER C . 18266 1 791 . 1 1 225 225 SER CA C 13 55.451 0.066 . 1 . . . . 225 SER CA . 18266 1 792 . 1 1 225 225 SER CB C 13 66.182 0.160 . 1 . . . . 225 SER CB . 18266 1 793 . 1 1 225 225 SER N N 15 117.727 0.033 . 1 . . . . 225 SER N . 18266 1 794 . 1 1 226 226 ALA H H 1 9.181 0.006 . 1 . . . . 226 ALA HN . 18266 1 795 . 1 1 226 226 ALA C C 13 179.292 0.009 . 1 . . . . 226 ALA C . 18266 1 796 . 1 1 226 226 ALA CA C 13 52.937 0.013 . 1 . . . . 226 ALA CA . 18266 1 797 . 1 1 226 226 ALA CB C 13 17.863 0.007 . 1 . . . . 226 ALA CB . 18266 1 798 . 1 1 226 226 ALA N N 15 129.776 0.062 . 1 . . . . 226 ALA N . 18266 1 799 . 1 1 227 227 ILE H H 1 7.656 0.006 . 1 . . . . 227 ILE HN . 18266 1 800 . 1 1 227 227 ILE C C 13 174.186 0.016 . 1 . . . . 227 ILE C . 18266 1 801 . 1 1 227 227 ILE CA C 13 61.529 0.091 . 1 . . . . 227 ILE CA . 18266 1 802 . 1 1 227 227 ILE CB C 13 34.818 0.007 . 1 . . . . 227 ILE CB . 18266 1 803 . 1 1 227 227 ILE N N 15 122.426 0.033 . 1 . . . . 227 ILE N . 18266 1 804 . 1 1 228 228 ALA H H 1 7.563 0.007 . 1 . . . . 228 ALA HN . 18266 1 805 . 1 1 228 228 ALA C C 13 174.972 0.015 . 1 . . . . 228 ALA C . 18266 1 806 . 1 1 228 228 ALA CA C 13 53.012 0.003 . 1 . . . . 228 ALA CA . 18266 1 807 . 1 1 228 228 ALA CB C 13 19.443 0.016 . 1 . . . . 228 ALA CB . 18266 1 808 . 1 1 228 228 ALA N N 15 131.400 0.028 . 1 . . . . 228 ALA N . 18266 1 809 . 1 1 229 229 GLN H H 1 8.066 0.005 . 1 . . . . 229 GLN HN . 18266 1 810 . 1 1 229 229 GLN C C 13 174.101 0.017 . 1 . . . . 229 GLN C . 18266 1 811 . 1 1 229 229 GLN CA C 13 52.967 0.023 . 1 . . . . 229 GLN CA . 18266 1 812 . 1 1 229 229 GLN CB C 13 32.411 0.000 . 1 . . . . 229 GLN CB . 18266 1 813 . 1 1 229 229 GLN N N 15 124.210 0.023 . 1 . . . . 229 GLN N . 18266 1 814 . 1 1 230 230 THR H H 1 7.942 0.007 . 1 . . . . 230 THR HN . 18266 1 815 . 1 1 230 230 THR C C 13 172.138 0.013 . 1 . . . . 230 THR C . 18266 1 816 . 1 1 230 230 THR CA C 13 59.316 0.061 . 1 . . . . 230 THR CA . 18266 1 817 . 1 1 230 230 THR CB C 13 69.344 0.055 . 1 . . . . 230 THR CB . 18266 1 818 . 1 1 230 230 THR N N 15 118.670 0.046 . 1 . . . . 230 THR N . 18266 1 819 . 1 1 231 231 GLU H H 1 7.674 0.007 . 1 . . . . 231 GLU HN . 18266 1 820 . 1 1 231 231 GLU C C 13 176.028 0.010 . 1 . . . . 231 GLU C . 18266 1 821 . 1 1 231 231 GLU CA C 13 56.114 0.067 . 1 . . . . 231 GLU CA . 18266 1 822 . 1 1 231 231 GLU CB C 13 29.252 0.137 . 1 . . . . 231 GLU CB . 18266 1 823 . 1 1 231 231 GLU N N 15 121.675 0.023 . 1 . . . . 231 GLU N . 18266 1 824 . 1 1 232 232 LYS H H 1 8.204 0.007 . 1 . . . . 232 LYS HN . 18266 1 825 . 1 1 232 232 LYS C C 13 176.595 0.009 . 1 . . . . 232 LYS C . 18266 1 826 . 1 1 232 232 LYS CA C 13 56.328 0.107 . 1 . . . . 232 LYS CA . 18266 1 827 . 1 1 232 232 LYS CB C 13 31.712 0.043 . 1 . . . . 232 LYS CB . 18266 1 828 . 1 1 232 232 LYS N N 15 123.301 0.048 . 1 . . . . 232 LYS N . 18266 1 829 . 1 1 233 233 SER H H 1 8.601 0.006 . 1 . . . . 233 SER HN . 18266 1 830 . 1 1 233 233 SER C C 13 174.456 0.012 . 1 . . . . 233 SER C . 18266 1 831 . 1 1 233 233 SER CA C 13 57.566 0.098 . 1 . . . . 233 SER CA . 18266 1 832 . 1 1 233 233 SER CB C 13 63.303 0.023 . 1 . . . . 233 SER CB . 18266 1 833 . 1 1 233 233 SER N N 15 120.165 0.019 . 1 . . . . 233 SER N . 18266 1 834 . 1 1 234 234 ILE H H 1 8.146 0.006 . 1 . . . . 234 ILE HN . 18266 1 835 . 1 1 234 234 ILE C C 13 176.104 0.007 . 1 . . . . 234 ILE C . 18266 1 836 . 1 1 234 234 ILE CA C 13 60.571 0.049 . 1 . . . . 234 ILE CA . 18266 1 837 . 1 1 234 234 ILE CB C 13 37.689 0.052 . 1 . . . . 234 ILE CB . 18266 1 838 . 1 1 234 234 ILE N N 15 123.621 0.030 . 1 . . . . 234 ILE N . 18266 1 839 . 1 1 235 235 GLU H H 1 8.227 0.006 . 1 . . . . 235 GLU HN . 18266 1 840 . 1 1 235 235 GLU C C 13 175.745 0.041 . 1 . . . . 235 GLU C . 18266 1 841 . 1 1 235 235 GLU CA C 13 55.736 0.122 . 1 . . . . 235 GLU CA . 18266 1 842 . 1 1 235 235 GLU CB C 13 29.427 0.048 . 1 . . . . 235 GLU CB . 18266 1 843 . 1 1 235 235 GLU N N 15 124.699 0.028 . 1 . . . . 235 GLU N . 18266 1 844 . 1 1 236 236 ASP H H 1 8.190 0.007 . 1 . . . . 236 ASP HN . 18266 1 845 . 1 1 236 236 ASP C C 13 175.407 0.023 . 1 . . . . 236 ASP C . 18266 1 846 . 1 1 236 236 ASP CA C 13 53.898 0.093 . 1 . . . . 236 ASP CA . 18266 1 847 . 1 1 236 236 ASP CB C 13 40.725 0.021 . 1 . . . . 236 ASP CB . 18266 1 848 . 1 1 236 236 ASP N N 15 122.110 0.063 . 1 . . . . 236 ASP N . 18266 1 849 . 1 1 237 237 ASN H H 1 8.255 0.004 . 1 . . . . 237 ASN HN . 18266 1 850 . 1 1 237 237 ASN C C 13 172.975 0.000 . 1 . . . . 237 ASN C . 18266 1 851 . 1 1 237 237 ASN CA C 13 50.981 0.075 . 1 . . . . 237 ASN CA . 18266 1 852 . 1 1 237 237 ASN CB C 13 38.365 0.000 . 1 . . . . 237 ASN CB . 18266 1 853 . 1 1 237 237 ASN N N 15 120.146 0.062 . 1 . . . . 237 ASN N . 18266 1 854 . 1 1 243 243 ASP C C 13 175.884 0.000 . 1 . . . . 243 ASP C . 18266 1 855 . 1 1 243 243 ASP CA C 13 53.861 0.006 . 1 . . . . 243 ASP CA . 18266 1 856 . 1 1 244 244 ILE H H 1 7.936 0.002 . 1 . . . . 244 ILE HN . 18266 1 857 . 1 1 244 244 ILE C C 13 175.885 0.022 . 1 . . . . 244 ILE C . 18266 1 858 . 1 1 244 244 ILE CA C 13 60.995 0.020 . 1 . . . . 244 ILE CA . 18266 1 859 . 1 1 244 244 ILE CB C 13 37.516 0.000 . 1 . . . . 244 ILE CB . 18266 1 860 . 1 1 244 244 ILE N N 15 120.736 0.014 . 1 . . . . 244 ILE N . 18266 1 861 . 1 1 245 245 PHE H H 1 8.119 0.007 . 1 . . . . 245 PHE HN . 18266 1 862 . 1 1 245 245 PHE CA C 13 57.155 0.121 . 1 . . . . 245 PHE CA . 18266 1 863 . 1 1 245 245 PHE CB C 13 38.248 0.121 . 1 . . . . 245 PHE CB . 18266 1 864 . 1 1 245 245 PHE N N 15 123.722 0.021 . 1 . . . . 245 PHE N . 18266 1 865 . 1 1 246 246 ARG H H 1 7.881 0.004 . 1 . . . . 246 ARG HN . 18266 1 866 . 1 1 246 246 ARG C C 13 174.732 0.000 . 1 . . . . 246 ARG C . 18266 1 867 . 1 1 246 246 ARG CA C 13 55.824 0.738 . 1 . . . . 246 ARG CA . 18266 1 868 . 1 1 246 246 ARG CB C 13 29.526 0.153 . 1 . . . . 246 ARG CB . 18266 1 869 . 1 1 246 246 ARG N N 15 124.130 0.041 . 1 . . . . 246 ARG N . 18266 1 870 . 1 1 247 247 LYS H H 1 7.712 0.004 . 1 . . . . 247 LYS HN . 18266 1 871 . 1 1 247 247 LYS C C 13 181.200 0.000 . 1 . . . . 247 LYS C . 18266 1 872 . 1 1 247 247 LYS CA C 13 57.120 0.000 . 1 . . . . 247 LYS CA . 18266 1 873 . 1 1 247 247 LYS CB C 13 32.465 0.000 . 1 . . . . 247 LYS CB . 18266 1 874 . 1 1 247 247 LYS N N 15 128.488 0.017 . 1 . . . . 247 LYS N . 18266 1 stop_ save_