data_15361 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15361 _Entry.Title ; Solution Structure of MMP20 complexed with NNGH ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-07-03 _Entry.Accession_date 2007-07-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Yvonne Arendt . . . 15361 2 Lucia Banci . . . 15361 3 Ivano Bertini . . . 15361 4 Francesca Cantini . . . 15361 5 Roberta Cozzi . . . 15361 6 Rebecca 'Del Conte' . . . 15361 7 Leonardo Gonnelli . . . 15361 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . SPINE2-COMPLEXES 'Structural Proteomics in Europe' . 15361 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Resonance Magnetic Center' . 15361 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID MMP-NNGH . 15361 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15361 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 579 15361 '15N chemical shifts' 161 15361 '1H chemical shifts' 1080 15361 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 . . 2010-04-26 2007-07-03 update BMRB 'update atom names of NGH' 15361 1 . . 2008-03-13 2007-07-03 original author 'original release' 15361 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JSD 'BMRB Entry Tracking System' 15361 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15361 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17869250 _Citation.Full_citation . _Citation.Title ; Catalytic domain of MMP20 (Enamelysin) - the NMR structure of a new matrix metalloproteinase. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 518 _Citation.Journal_issue 24 _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 4723 _Citation.Page_last 4726 _Citation.Year 2007 _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 Yvonne Arendt . . . 15361 1 2 Lucia Banci . . . 15361 1 3 Ivano Bertini . . . 15361 1 4 Francesca Cantini . . . 15361 1 5 Roberta Cozzi . . . 15361 1 6 Rebecca 'Del Conte' . . . 15361 1 7 Leonardo Gonnelli . . . 15361 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'drug discovery' 15361 1 MMP 15361 1 NMR 15361 1 'protein-ligand interaction' 15361 1 'solution structure' 15361 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15361 _Assembly.ID 1 _Assembly.Name mmp-20 _Assembly.BMRB_code . _Assembly.Number_of_components 5 _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 ; TWO ZINC IONS ONE WITH A STRUCTURAL ROLE AND ONE WITH A CATALYTIC ROLE. TWO CALCIUM IONS WITH STRUCTURAL ROLE. ; _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 mmp20-nngh 1 $MMP-20 A . yes native no no . PROTEIN . 15361 1 2 'ZINC ION, 1' 2 $ZN B . no native no no . 'CATALYTIC METAL ION' . 15361 1 3 'ZINC ION, 2' 2 $ZN C . no native no no . 'STRUCTURAL METAL ION' . 15361 1 4 'CALCIUM ION, 1' 3 $CA D . no native no no . 'STRUCTURAL METAL ION' . 15361 1 5 'CALCIUM ION, 2' 3 $CA E . no native no no . 'STRUCTURAL METAL ION' . 15361 1 6 NGH 4 $NGH F . yes native no no . INHIBITOR . 15361 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Matrix metalloproteinase' 15361 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MMP-20 _Entity.Sf_category entity _Entity.Sf_framecode MMP-20 _Entity.Entry_ID 15361 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MMP-20 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GEPKWKKNTLTYRISKYTPS MSSVEVDKAVEMALQAWSSA VPLSFVRINSGEADIMISFE NGDHGDSYPFDGPRGTLAHA FAPGEGLGGDTHFDNAEKWT MGTNGFNLFTVAAHEFGHAL GLAHSTDPSALMYPTYKYKN PYGFHLPKDDVKGIQALYGP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq G,113 _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 160 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'catalityc domain of MMP20, enamelysin' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17507.721 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JSD . "Solution Structure Of Mmp20 Complexed With Nngh" . . . . . 100.00 160 100.00 100.00 1.64e-113 . . . . 15361 1 2 no DBJ BAI45518 . "matrix metallopeptidase 20 [synthetic construct]" . . . . . 100.00 483 100.00 100.00 1.67e-110 . . . . 15361 1 3 no EMBL CAA73317 . "enamelysin [Homo sapiens]" . . . . . 100.00 483 99.38 99.38 1.15e-109 . . . . 15361 1 4 no GB AAI52742 . "Matrix metallopeptidase 20, partial [synthetic construct]" . . . . . 100.00 483 100.00 100.00 1.67e-110 . . . . 15361 1 5 no GB AAT70722 . "matrix metalloproteinase 20 (enamelysin) [Homo sapiens]" . . . . . 100.00 483 100.00 100.00 1.50e-110 . . . . 15361 1 6 no GB EAW67024 . "matrix metallopeptidase 20 (enamelysin) [Homo sapiens]" . . . . . 100.00 483 100.00 100.00 1.50e-110 . . . . 15361 1 7 no REF NP_004762 . "matrix metalloproteinase-20 preproprotein [Homo sapiens]" . . . . . 100.00 483 100.00 100.00 1.67e-110 . . . . 15361 1 8 no REF XP_001153208 . "PREDICTED: matrix metalloproteinase-20 [Pan troglodytes]" . . . . . 100.00 483 99.38 99.38 9.65e-110 . . . . 15361 1 9 no REF XP_002822444 . "PREDICTED: matrix metalloproteinase-20 [Pongo abelii]" . . . . . 100.00 483 99.38 100.00 5.26e-110 . . . . 15361 1 10 no REF XP_003253094 . "PREDICTED: matrix metalloproteinase-20 [Nomascus leucogenys]" . . . . . 100.00 483 98.75 98.75 8.32e-109 . . . . 15361 1 11 no REF XP_003828430 . "PREDICTED: matrix metalloproteinase-20 [Pan paniscus]" . . . . . 100.00 483 99.38 99.38 9.04e-110 . . . . 15361 1 12 no SP O60882 . "RecName: Full=Matrix metalloproteinase-20; Short=MMP-20; AltName: Full=Enamel metalloproteinase; AltName: Full=Enamelysin; Flag" . . . . . 100.00 483 100.00 100.00 1.67e-110 . . . . 15361 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'matrix metallo proteinase' 15361 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 1 113 GLY . 15361 1 2 114 GLU . 15361 1 3 115 PRO . 15361 1 4 116 LYS . 15361 1 5 117 TRP . 15361 1 6 118 LYS . 15361 1 7 119 LYS . 15361 1 8 120 ASN . 15361 1 9 121 THR . 15361 1 10 122 LEU . 15361 1 11 123 THR . 15361 1 12 124 TYR . 15361 1 13 125 ARG . 15361 1 14 126 ILE . 15361 1 15 127 SER . 15361 1 16 128 LYS . 15361 1 17 129 TYR . 15361 1 18 130 THR . 15361 1 19 131 PRO . 15361 1 20 132 SER . 15361 1 21 133 MET . 15361 1 22 134 SER . 15361 1 23 135 SER . 15361 1 24 136 VAL . 15361 1 25 137 GLU . 15361 1 26 138 VAL . 15361 1 27 139 ASP . 15361 1 28 140 LYS . 15361 1 29 141 ALA . 15361 1 30 142 VAL . 15361 1 31 143 GLU . 15361 1 32 144 MET . 15361 1 33 145 ALA . 15361 1 34 146 LEU . 15361 1 35 147 GLN . 15361 1 36 148 ALA . 15361 1 37 149 TRP . 15361 1 38 150 SER . 15361 1 39 151 SER . 15361 1 40 152 ALA . 15361 1 41 153 VAL . 15361 1 42 154 PRO . 15361 1 43 155 LEU . 15361 1 44 156 SER . 15361 1 45 157 PHE . 15361 1 46 158 VAL . 15361 1 47 159 ARG . 15361 1 48 160 ILE . 15361 1 49 161 ASN . 15361 1 50 162 SER . 15361 1 51 163 GLY . 15361 1 52 164 GLU . 15361 1 53 165 ALA . 15361 1 54 166 ASP . 15361 1 55 167 ILE . 15361 1 56 168 MET . 15361 1 57 169 ILE . 15361 1 58 170 SER . 15361 1 59 171 PHE . 15361 1 60 172 GLU . 15361 1 61 173 ASN . 15361 1 62 174 GLY . 15361 1 63 175 ASP . 15361 1 64 176 HIS . 15361 1 65 177 GLY . 15361 1 66 178 ASP . 15361 1 67 179 SER . 15361 1 68 180 TYR . 15361 1 69 181 PRO . 15361 1 70 182 PHE . 15361 1 71 183 ASP . 15361 1 72 184 GLY . 15361 1 73 185 PRO . 15361 1 74 186 ARG . 15361 1 75 187 GLY . 15361 1 76 188 THR . 15361 1 77 189 LEU . 15361 1 78 190 ALA . 15361 1 79 191 HIS . 15361 1 80 192 ALA . 15361 1 81 193 PHE . 15361 1 82 194 ALA . 15361 1 83 195 PRO . 15361 1 84 196 GLY . 15361 1 85 197 GLU . 15361 1 86 198 GLY . 15361 1 87 199 LEU . 15361 1 88 200 GLY . 15361 1 89 201 GLY . 15361 1 90 202 ASP . 15361 1 91 203 THR . 15361 1 92 204 HIS . 15361 1 93 205 PHE . 15361 1 94 206 ASP . 15361 1 95 207 ASN . 15361 1 96 208 ALA . 15361 1 97 209 GLU . 15361 1 98 210 LYS . 15361 1 99 211 TRP . 15361 1 100 212 THR . 15361 1 101 213 MET . 15361 1 102 214 GLY . 15361 1 103 215 THR . 15361 1 104 216 ASN . 15361 1 105 217 GLY . 15361 1 106 218 PHE . 15361 1 107 219 ASN . 15361 1 108 220 LEU . 15361 1 109 221 PHE . 15361 1 110 222 THR . 15361 1 111 223 VAL . 15361 1 112 224 ALA . 15361 1 113 225 ALA . 15361 1 114 226 HIS . 15361 1 115 227 GLU . 15361 1 116 228 PHE . 15361 1 117 229 GLY . 15361 1 118 230 HIS . 15361 1 119 231 ALA . 15361 1 120 232 LEU . 15361 1 121 233 GLY . 15361 1 122 234 LEU . 15361 1 123 235 ALA . 15361 1 124 236 HIS . 15361 1 125 237 SER . 15361 1 126 238 THR . 15361 1 127 239 ASP . 15361 1 128 240 PRO . 15361 1 129 241 SER . 15361 1 130 242 ALA . 15361 1 131 243 LEU . 15361 1 132 244 MET . 15361 1 133 245 TYR . 15361 1 134 246 PRO . 15361 1 135 247 THR . 15361 1 136 248 TYR . 15361 1 137 249 LYS . 15361 1 138 250 TYR . 15361 1 139 251 LYS . 15361 1 140 252 ASN . 15361 1 141 253 PRO . 15361 1 142 254 TYR . 15361 1 143 255 GLY . 15361 1 144 256 PHE . 15361 1 145 257 HIS . 15361 1 146 258 LEU . 15361 1 147 259 PRO . 15361 1 148 260 LYS . 15361 1 149 261 ASP . 15361 1 150 262 ASP . 15361 1 151 263 VAL . 15361 1 152 264 LYS . 15361 1 153 265 GLY . 15361 1 154 266 ILE . 15361 1 155 267 GLN . 15361 1 156 268 ALA . 15361 1 157 269 LEU . 15361 1 158 270 TYR . 15361 1 159 271 GLY . 15361 1 160 272 PRO . 15361 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 15361 1 . GLU 2 2 15361 1 . PRO 3 3 15361 1 . LYS 4 4 15361 1 . TRP 5 5 15361 1 . LYS 6 6 15361 1 . LYS 7 7 15361 1 . ASN 8 8 15361 1 . THR 9 9 15361 1 . LEU 10 10 15361 1 . THR 11 11 15361 1 . TYR 12 12 15361 1 . ARG 13 13 15361 1 . ILE 14 14 15361 1 . SER 15 15 15361 1 . LYS 16 16 15361 1 . TYR 17 17 15361 1 . THR 18 18 15361 1 . PRO 19 19 15361 1 . SER 20 20 15361 1 . MET 21 21 15361 1 . SER 22 22 15361 1 . SER 23 23 15361 1 . VAL 24 24 15361 1 . GLU 25 25 15361 1 . VAL 26 26 15361 1 . ASP 27 27 15361 1 . LYS 28 28 15361 1 . ALA 29 29 15361 1 . VAL 30 30 15361 1 . GLU 31 31 15361 1 . MET 32 32 15361 1 . ALA 33 33 15361 1 . LEU 34 34 15361 1 . GLN 35 35 15361 1 . ALA 36 36 15361 1 . TRP 37 37 15361 1 . SER 38 38 15361 1 . SER 39 39 15361 1 . ALA 40 40 15361 1 . VAL 41 41 15361 1 . PRO 42 42 15361 1 . LEU 43 43 15361 1 . SER 44 44 15361 1 . PHE 45 45 15361 1 . VAL 46 46 15361 1 . ARG 47 47 15361 1 . ILE 48 48 15361 1 . ASN 49 49 15361 1 . SER 50 50 15361 1 . GLY 51 51 15361 1 . GLU 52 52 15361 1 . ALA 53 53 15361 1 . ASP 54 54 15361 1 . ILE 55 55 15361 1 . MET 56 56 15361 1 . ILE 57 57 15361 1 . SER 58 58 15361 1 . PHE 59 59 15361 1 . GLU 60 60 15361 1 . ASN 61 61 15361 1 . GLY 62 62 15361 1 . ASP 63 63 15361 1 . HIS 64 64 15361 1 . GLY 65 65 15361 1 . ASP 66 66 15361 1 . SER 67 67 15361 1 . TYR 68 68 15361 1 . PRO 69 69 15361 1 . PHE 70 70 15361 1 . ASP 71 71 15361 1 . GLY 72 72 15361 1 . PRO 73 73 15361 1 . ARG 74 74 15361 1 . GLY 75 75 15361 1 . THR 76 76 15361 1 . LEU 77 77 15361 1 . ALA 78 78 15361 1 . HIS 79 79 15361 1 . ALA 80 80 15361 1 . PHE 81 81 15361 1 . ALA 82 82 15361 1 . PRO 83 83 15361 1 . GLY 84 84 15361 1 . GLU 85 85 15361 1 . GLY 86 86 15361 1 . LEU 87 87 15361 1 . GLY 88 88 15361 1 . GLY 89 89 15361 1 . ASP 90 90 15361 1 . THR 91 91 15361 1 . HIS 92 92 15361 1 . PHE 93 93 15361 1 . ASP 94 94 15361 1 . ASN 95 95 15361 1 . ALA 96 96 15361 1 . GLU 97 97 15361 1 . LYS 98 98 15361 1 . TRP 99 99 15361 1 . THR 100 100 15361 1 . MET 101 101 15361 1 . GLY 102 102 15361 1 . THR 103 103 15361 1 . ASN 104 104 15361 1 . GLY 105 105 15361 1 . PHE 106 106 15361 1 . ASN 107 107 15361 1 . LEU 108 108 15361 1 . PHE 109 109 15361 1 . THR 110 110 15361 1 . VAL 111 111 15361 1 . ALA 112 112 15361 1 . ALA 113 113 15361 1 . HIS 114 114 15361 1 . GLU 115 115 15361 1 . PHE 116 116 15361 1 . GLY 117 117 15361 1 . HIS 118 118 15361 1 . ALA 119 119 15361 1 . LEU 120 120 15361 1 . GLY 121 121 15361 1 . LEU 122 122 15361 1 . ALA 123 123 15361 1 . HIS 124 124 15361 1 . SER 125 125 15361 1 . THR 126 126 15361 1 . ASP 127 127 15361 1 . PRO 128 128 15361 1 . SER 129 129 15361 1 . ALA 130 130 15361 1 . LEU 131 131 15361 1 . MET 132 132 15361 1 . TYR 133 133 15361 1 . PRO 134 134 15361 1 . THR 135 135 15361 1 . TYR 136 136 15361 1 . LYS 137 137 15361 1 . TYR 138 138 15361 1 . LYS 139 139 15361 1 . ASN 140 140 15361 1 . PRO 141 141 15361 1 . TYR 142 142 15361 1 . GLY 143 143 15361 1 . PHE 144 144 15361 1 . HIS 145 145 15361 1 . LEU 146 146 15361 1 . PRO 147 147 15361 1 . LYS 148 148 15361 1 . ASP 149 149 15361 1 . ASP 150 150 15361 1 . VAL 151 151 15361 1 . LYS 152 152 15361 1 . GLY 153 153 15361 1 . ILE 154 154 15361 1 . GLN 155 155 15361 1 . ALA 156 156 15361 1 . LEU 157 157 15361 1 . TYR 158 158 15361 1 . GLY 159 159 15361 1 . PRO 160 160 15361 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 15361 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 15361 2 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 15361 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CA . 15361 3 stop_ save_ save_NGH _Entity.Sf_category entity _Entity.Sf_framecode NGH _Entity.Entry_ID 15361 _Entity.ID 4 _Entity.BMRB_code . _Entity.Name NGH _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID NGH _Entity.Nonpolymer_comp_label $chem_comp_NGH _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . NGH . 15361 4 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 15361 _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 $MMP-20 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . MMP20 . . . . 15361 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 15361 _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 $MMP-20 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET21a . . . . . . 15361 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 15361 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 22 03:38:33 2007 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 INCHI InChi 1 15361 ZN [Zn++] SMILES_CANONICAL CACTVS 2.87 15361 ZN [Zn+2] SMILES OpenEye/OEToolkits 1.4.2 15361 ZN [Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15361 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'zinc(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15361 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . N . 2 . . . . . . . . . . . . . . . . . . . . . 15361 ZN stop_ save_ save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 15361 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 18:50:00 2007 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Ca++] SMILES_CANONICAL CACTVS 2.87 15361 CA [Ca+2] SMILES OpenEye/OEToolkits 1.4.2 15361 CA [Ca+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15361 CA InChI=1/Ca/q+2 INCHI InChi 1 15361 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'calcium(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15361 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . N . 2 . . . . . . . . . . . . . . . . . . . . . 15361 CA stop_ save_ save_chem_comp_NGH _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NGH _Chem_comp.Entry_ID 15361 _Chem_comp.ID NGH _Chem_comp.Provenance . _Chem_comp.Name 'N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code NGH _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula 'C13 H20 N2 O5 S' _Chem_comp.Formula_weight 316.373 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 21 23:32:40 2007 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(C)C[N@](CC(=O)NO)S(=O)(=O)c1ccc(cc1)OC SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15361 NGH CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(cc1)OC SMILES OpenEye/OEToolkits 1.4.2 15361 NGH COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO SMILES CACTVS 2.87 15361 NGH COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO SMILES_CANONICAL CACTVS 2.87 15361 NGH InChI=1/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16) INCHI InChi 1 15361 NGH stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]ethanamide 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15361 NGH stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH C10 . C10 . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH C11 . C11 . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH C12 . C12 . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH C13 . C13 . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH C14 . C14 . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH C2 . C2 . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH C3 . C3 . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH C4 . C4 . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH C5 . C5 . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH C6 . C6 . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH C7 . C7 . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH C9 . C9 . . C . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH H1 . H1 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH H101 . H101 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH H102 . H102 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH H12 . H12 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH H131 . H131 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH H132 . H132 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH H133 . H133 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH H141 . H141 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH H142 . H142 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH H143 . H143 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH H2 . H2 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH H4 . H4 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH H5 . H5 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH H71 . H71 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH H72 . H72 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH H73 . H73 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH H91 . H91 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH H92 . H92 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH HN1 . HN1 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH HO4 . HO4 . . H . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH N . N . . N . R . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH N1 . N1 . . N . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH O1 . O1 . . O . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH O2 . O2 . . O . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH O3 . O3 . . O . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH O4 . O4 . . O . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH O5 . O5 . . O . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH S1 . S1 . . S . N . 0 . . . . . . . . . . . . . . . . . . . . . 15361 NGH stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 C2 . . . . 15361 NGH 2 . SING C1 C6 . . . . 15361 NGH 3 . SING C1 H1 . . . . 15361 NGH 4 . SING C2 C3 . . . . 15361 NGH 5 . SING C2 H2 . . . . 15361 NGH 6 . DOUB C3 C4 . . . . 15361 NGH 7 . SING C3 O1 . . . . 15361 NGH 8 . SING C4 C5 . . . . 15361 NGH 9 . SING C4 H4 . . . . 15361 NGH 10 . DOUB C5 C6 . . . . 15361 NGH 11 . SING C5 H5 . . . . 15361 NGH 12 . SING C6 S1 . . . . 15361 NGH 13 . SING O1 C7 . . . . 15361 NGH 14 . SING C7 H71 . . . . 15361 NGH 15 . SING C7 H72 . . . . 15361 NGH 16 . SING C7 H73 . . . . 15361 NGH 17 . DOUB S1 O2 . . . . 15361 NGH 18 . DOUB S1 O3 . . . . 15361 NGH 19 . SING S1 N . . . . 15361 NGH 20 . SING N C9 . . . . 15361 NGH 21 . SING N C10 . . . . 15361 NGH 22 . SING C9 C12 . . . . 15361 NGH 23 . SING C9 H91 . . . . 15361 NGH 24 . SING C9 H92 . . . . 15361 NGH 25 . SING C10 C11 . . . . 15361 NGH 26 . SING C10 H101 . . . . 15361 NGH 27 . SING C10 H102 . . . . 15361 NGH 28 . SING C11 N1 . . . . 15361 NGH 29 . DOUB C11 O5 . . . . 15361 NGH 30 . SING N1 O4 . . . . 15361 NGH 31 . SING N1 HN1 . . . . 15361 NGH 32 . SING O4 HO4 . . . . 15361 NGH 33 . SING C12 C13 . . . . 15361 NGH 34 . SING C12 C14 . . . . 15361 NGH 35 . SING C12 H12 . . . . 15361 NGH 36 . SING C13 H131 . . . . 15361 NGH 37 . SING C13 H132 . . . . 15361 NGH 38 . SING C13 H133 . . . . 15361 NGH 39 . SING C14 H141 . . . . 15361 NGH 40 . SING C14 H142 . . . . 15361 NGH 41 . SING C14 H143 . . . . 15361 NGH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15361 _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 MMP-20 '[U-99% 15N]' 1 $assembly . . . . 0.6 . . mM . . . . 15361 1 2 Tris . . . . . . . 20 . . mM . . . . 15361 1 3 ZnCl2 . . . . . . . 0.1 . . mM . . . . 15361 1 4 CaCl2 . . . . . . . 5 . . mM . . . . 15361 1 5 NaCl . . . . . . . 300 . . mM . . . . 15361 1 6 'acetohydroxamic acid' . . . . . . . 0.3 . . M . . . . 15361 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15361 _Sample.ID 2 _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 MMP-20 'natural abundance' 1 $assembly . . . . 1 . . mM . . . . 15361 2 2 Tris . . . . . . . 20 . . mM . . . . 15361 2 3 ZnCl2 . . . . . . . 0.1 . . mM . . . . 15361 2 4 CaCl2 . . . . . . . 5 . . mM . . . . 15361 2 5 NaCl . . . . . . . 300 . . mM . . . . 15361 2 6 'acetohydroxamic acid' . . . . . . . 0.3 . . M . . . . 15361 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15361 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MMP-20 '[U-13C; U-15N]' 1 $assembly . . . . 0.6 . . mM . . . . 15361 3 2 Tris . . . . . . . 20 . . mM . . . . 15361 3 3 ZnCl2 . . . . . . . 0.1 . . mM . . . . 15361 3 4 CaCl2 . . . . . . . 5 . . mM . . . . 15361 3 5 NaCl . . . . . . . 300 . . mM . . . . 15361 3 6 'acetohydroxamic acid' . . . . . . . 0.3 . . M . . . . 15361 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15361 _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' 0.05 . M 15361 1 pH 7 . pH 15361 1 pressure 1 . atm 15361 1 temperature 298 . K 15361 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15361 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15361 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15361 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 15361 _Software.ID 2 _Software.Name AMBER _Software.Version 8.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll' . . 15361 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15361 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 15361 _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' . . 15361 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15361 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15361 _Software.ID 4 _Software.Name CARA _Software.Version 1.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(CARA) by Rochus Keller' . . 15361 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15361 4 collection 15361 4 stop_ save_ save_QUEEN _Software.Sf_category software _Software.Sf_framecode QUEEN _Software.Entry_ID 15361 _Software.ID 5 _Software.Name QUEEN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Nabuurs, Spronk, Krieger, Maassen, Vriend and Vuister' . . 15361 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15361 5 stop_ save_ save_AQUA _Software.Sf_category software _Software.Sf_framecode AQUA _Software.Entry_ID 15361 _Software.ID 6 _Software.Name AQUA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Rullmann, Doreleijers and Kaptein' . . 15361 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15361 6 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 15361 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15361 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15361 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15361 _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 . 800 . . . 15361 1 2 spectrometer_2 Bruker Avance . 900 . . . 15361 1 3 spectrometer_3 Bruker Avance . 600 . . . 15361 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 15361 _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 HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15361 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15361 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15361 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15361 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15361 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15361 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15361 1 8 'r2,r1, 15n-noe' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15361 1 9 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15361 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15361 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15361 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15361 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15361 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 15361 _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 2 '3D CBCA(CO)NH' . . . 15361 1 5 '3D HCCH-TOCSY' . . . 15361 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 2 2 GLU HA H 1 4.426 0.020 . 1 . . . . 2 GLU HA . 15361 1 2 . 1 1 3 3 PRO HA H 1 4.227 0.020 . 1 . . . . 3 PRO HA . 15361 1 3 . 1 1 3 3 PRO HB2 H 1 2.020 0.020 . 2 . . . . 3 PRO HB2 . 15361 1 4 . 1 1 3 3 PRO HB3 H 1 1.746 0.020 . 2 . . . . 3 PRO HB3 . 15361 1 5 . 1 1 3 3 PRO HD2 H 1 3.585 0.020 . 2 . . . . 3 PRO HD2 . 15361 1 6 . 1 1 3 3 PRO HD3 H 1 3.585 0.020 . 2 . . . . 3 PRO HD3 . 15361 1 7 . 1 1 3 3 PRO HG2 H 1 1.896 0.020 . 1 . . . . 3 PRO HG2 . 15361 1 8 . 1 1 3 3 PRO HG3 H 1 1.851 0.020 . 1 . . . . 3 PRO HG3 . 15361 1 9 . 1 1 3 3 PRO CA C 13 63.495 0.400 . 1 . . . . 3 PRO CA . 15361 1 10 . 1 1 3 3 PRO CB C 13 31.215 0.400 . 1 . . . . 3 PRO CB . 15361 1 11 . 1 1 3 3 PRO CD C 13 49.767 0.400 . 1 . . . . 3 PRO CD . 15361 1 12 . 1 1 3 3 PRO CG C 13 27.134 0.400 . 1 . . . . 3 PRO CG . 15361 1 13 . 1 1 4 4 LYS H H 1 7.290 0.020 . 1 . . . . 4 LYS H . 15361 1 14 . 1 1 4 4 LYS HA H 1 4.370 0.020 . 1 . . . . 4 LYS HA . 15361 1 15 . 1 1 4 4 LYS HB2 H 1 1.602 0.020 . 2 . . . . 4 LYS HB2 . 15361 1 16 . 1 1 4 4 LYS HB3 H 1 1.582 0.020 . 2 . . . . 4 LYS HB3 . 15361 1 17 . 1 1 4 4 LYS HD2 H 1 1.338 0.020 . 2 . . . . 4 LYS HD2 . 15361 1 18 . 1 1 4 4 LYS HD3 H 1 1.252 0.020 . 2 . . . . 4 LYS HD3 . 15361 1 19 . 1 1 4 4 LYS HE2 H 1 2.720 0.020 . 2 . . . . 4 LYS HE2 . 15361 1 20 . 1 1 4 4 LYS HE3 H 1 2.720 0.020 . 2 . . . . 4 LYS HE3 . 15361 1 21 . 1 1 4 4 LYS HG2 H 1 1.190 0.020 . 2 . . . . 4 LYS HG2 . 15361 1 22 . 1 1 4 4 LYS HG3 H 1 0.890 0.020 . 2 . . . . 4 LYS HG3 . 15361 1 23 . 1 1 4 4 LYS CA C 13 54.400 0.400 . 1 . . . . 4 LYS CA . 15361 1 24 . 1 1 4 4 LYS CB C 13 34.555 0.400 . 1 . . . . 4 LYS CB . 15361 1 25 . 1 1 4 4 LYS CD C 13 29.200 0.400 . 1 . . . . 4 LYS CD . 15361 1 26 . 1 1 4 4 LYS CE C 13 41.800 0.400 . 1 . . . . 4 LYS CE . 15361 1 27 . 1 1 4 4 LYS CG C 13 22.411 0.400 . 1 . . . . 4 LYS CG . 15361 1 28 . 1 1 4 4 LYS N N 15 113.274 0.400 . 1 . . . . 4 LYS N . 15361 1 29 . 1 1 5 5 TRP H H 1 8.260 0.020 . 1 . . . . 5 TRP H . 15361 1 30 . 1 1 5 5 TRP HA H 1 4.470 0.020 . 1 . . . . 5 TRP HA . 15361 1 31 . 1 1 5 5 TRP HB2 H 1 3.332 0.020 . 2 . . . . 5 TRP HB2 . 15361 1 32 . 1 1 5 5 TRP HB3 H 1 3.162 0.020 . 2 . . . . 5 TRP HB3 . 15361 1 33 . 1 1 5 5 TRP HD1 H 1 7.343 0.020 . 1 . . . . 5 TRP HD1 . 15361 1 34 . 1 1 5 5 TRP HE1 H 1 10.408 0.020 . 1 . . . . 5 TRP HE1 . 15361 1 35 . 1 1 5 5 TRP HE3 H 1 7.807 0.020 . 1 . . . . 5 TRP HE3 . 15361 1 36 . 1 1 5 5 TRP HH2 H 1 7.030 0.020 . 1 . . . . 5 TRP HH2 . 15361 1 37 . 1 1 5 5 TRP HZ2 H 1 7.345 0.020 . 1 . . . . 5 TRP HZ2 . 15361 1 38 . 1 1 5 5 TRP HZ3 H 1 6.760 0.020 . 1 . . . . 5 TRP HZ3 . 15361 1 39 . 1 1 5 5 TRP CA C 13 57.700 0.400 . 1 . . . . 5 TRP CA . 15361 1 40 . 1 1 5 5 TRP CB C 13 30.202 0.400 . 1 . . . . 5 TRP CB . 15361 1 41 . 1 1 5 5 TRP N N 15 122.522 0.400 . 1 . . . . 5 TRP N . 15361 1 42 . 1 1 6 6 LYS H H 1 9.323 0.020 . 1 . . . . 6 LYS H . 15361 1 43 . 1 1 6 6 LYS HA H 1 4.466 0.020 . 1 . . . . 6 LYS HA . 15361 1 44 . 1 1 6 6 LYS HB2 H 1 2.070 0.020 . 1 . . . . 6 LYS HB2 . 15361 1 45 . 1 1 6 6 LYS HB3 H 1 1.741 0.020 . 1 . . . . 6 LYS HB3 . 15361 1 46 . 1 1 6 6 LYS HD2 H 1 1.480 0.020 . 2 . . . . 6 LYS HD2 . 15361 1 47 . 1 1 6 6 LYS HD3 H 1 1.350 0.020 . 2 . . . . 6 LYS HD3 . 15361 1 48 . 1 1 6 6 LYS HE2 H 1 2.960 0.020 . 2 . . . . 6 LYS HE2 . 15361 1 49 . 1 1 6 6 LYS HE3 H 1 2.960 0.020 . 2 . . . . 6 LYS HE3 . 15361 1 50 . 1 1 6 6 LYS HG2 H 1 1.642 0.020 . 2 . . . . 6 LYS HG2 . 15361 1 51 . 1 1 6 6 LYS HG3 H 1 1.642 0.020 . 2 . . . . 6 LYS HG3 . 15361 1 52 . 1 1 6 6 LYS CA C 13 55.603 0.400 . 1 . . . . 6 LYS CA . 15361 1 53 . 1 1 6 6 LYS CB C 13 31.183 0.400 . 1 . . . . 6 LYS CB . 15361 1 54 . 1 1 6 6 LYS CD C 13 24.808 0.400 . 1 . . . . 6 LYS CD . 15361 1 55 . 1 1 6 6 LYS CE C 13 41.900 0.400 . 1 . . . . 6 LYS CE . 15361 1 56 . 1 1 6 6 LYS CG C 13 28.618 0.400 . 1 . . . . 6 LYS CG . 15361 1 57 . 1 1 6 6 LYS N N 15 123.231 0.400 . 1 . . . . 6 LYS N . 15361 1 58 . 1 1 7 7 LYS H H 1 7.293 0.020 . 1 . . . . 7 LYS H . 15361 1 59 . 1 1 7 7 LYS HA H 1 4.608 0.020 . 1 . . . . 7 LYS HA . 15361 1 60 . 1 1 7 7 LYS HB2 H 1 1.853 0.020 . 2 . . . . 7 LYS HB2 . 15361 1 61 . 1 1 7 7 LYS HB3 H 1 1.853 0.020 . 2 . . . . 7 LYS HB3 . 15361 1 62 . 1 1 7 7 LYS HD2 H 1 1.707 0.020 . 2 . . . . 7 LYS HD2 . 15361 1 63 . 1 1 7 7 LYS HD3 H 1 1.642 0.020 . 2 . . . . 7 LYS HD3 . 15361 1 64 . 1 1 7 7 LYS HE2 H 1 2.991 0.020 . 2 . . . . 7 LYS HE2 . 15361 1 65 . 1 1 7 7 LYS HE3 H 1 2.850 0.020 . 2 . . . . 7 LYS HE3 . 15361 1 66 . 1 1 7 7 LYS HG2 H 1 1.341 0.020 . 2 . . . . 7 LYS HG2 . 15361 1 67 . 1 1 7 7 LYS HG3 H 1 1.190 0.020 . 2 . . . . 7 LYS HG3 . 15361 1 68 . 1 1 7 7 LYS CA C 13 54.319 0.400 . 1 . . . . 7 LYS CA . 15361 1 69 . 1 1 7 7 LYS CB C 13 34.400 0.400 . 1 . . . . 7 LYS CB . 15361 1 70 . 1 1 7 7 LYS CD C 13 29.902 0.400 . 1 . . . . 7 LYS CD . 15361 1 71 . 1 1 7 7 LYS CE C 13 41.975 0.400 . 1 . . . . 7 LYS CE . 15361 1 72 . 1 1 7 7 LYS CG C 13 23.053 0.400 . 1 . . . . 7 LYS CG . 15361 1 73 . 1 1 7 7 LYS N N 15 116.523 0.400 . 1 . . . . 7 LYS N . 15361 1 74 . 1 1 8 8 ASN H H 1 8.177 0.020 . 1 . . . . 8 ASN H . 15361 1 75 . 1 1 8 8 ASN HA H 1 4.671 0.020 . 1 . . . . 8 ASN HA . 15361 1 76 . 1 1 8 8 ASN HB2 H 1 2.875 0.020 . 2 . . . . 8 ASN HB2 . 15361 1 77 . 1 1 8 8 ASN HB3 H 1 2.767 0.020 . 2 . . . . 8 ASN HB3 . 15361 1 78 . 1 1 8 8 ASN HD21 H 1 8.417 0.020 . 2 . . . . 8 ASN HD21 . 15361 1 79 . 1 1 8 8 ASN HD22 H 1 6.919 0.020 . 2 . . . . 8 ASN HD22 . 15361 1 80 . 1 1 8 8 ASN CA C 13 53.006 0.400 . 1 . . . . 8 ASN CA . 15361 1 81 . 1 1 8 8 ASN CB C 13 38.836 0.400 . 1 . . . . 8 ASN CB . 15361 1 82 . 1 1 8 8 ASN N N 15 114.188 0.400 . 1 . . . . 8 ASN N . 15361 1 83 . 1 1 8 8 ASN ND2 N 15 110.529 0.400 . 1 . . . . 8 ASN ND2 . 15361 1 84 . 1 1 9 9 THR H H 1 7.080 0.020 . 1 . . . . 9 THR H . 15361 1 85 . 1 1 9 9 THR HA H 1 4.629 0.020 . 1 . . . . 9 THR HA . 15361 1 86 . 1 1 9 9 THR HB H 1 3.739 0.020 . 1 . . . . 9 THR HB . 15361 1 87 . 1 1 9 9 THR HG21 H 1 0.810 0.020 . 1 . . . . 9 THR HG2 . 15361 1 88 . 1 1 9 9 THR HG22 H 1 0.810 0.020 . 1 . . . . 9 THR HG2 . 15361 1 89 . 1 1 9 9 THR HG23 H 1 0.810 0.020 . 1 . . . . 9 THR HG2 . 15361 1 90 . 1 1 9 9 THR CA C 13 61.269 0.400 . 1 . . . . 9 THR CA . 15361 1 91 . 1 1 9 9 THR CB C 13 69.803 0.400 . 1 . . . . 9 THR CB . 15361 1 92 . 1 1 9 9 THR CG2 C 13 21.197 0.400 . 1 . . . . 9 THR CG2 . 15361 1 93 . 1 1 9 9 THR N N 15 116.218 0.400 . 1 . . . . 9 THR N . 15361 1 94 . 1 1 10 10 LEU H H 1 8.494 0.020 . 1 . . . . 10 LEU H . 15361 1 95 . 1 1 10 10 LEU HA H 1 4.618 0.020 . 1 . . . . 10 LEU HA . 15361 1 96 . 1 1 10 10 LEU HB2 H 1 1.272 0.020 . 1 . . . . 10 LEU HB2 . 15361 1 97 . 1 1 10 10 LEU HB3 H 1 0.798 0.020 . 1 . . . . 10 LEU HB3 . 15361 1 98 . 1 1 10 10 LEU HD11 H 1 -0.176 0.020 . 1 . . . . 10 LEU HD1 . 15361 1 99 . 1 1 10 10 LEU HD12 H 1 -0.176 0.020 . 1 . . . . 10 LEU HD1 . 15361 1 100 . 1 1 10 10 LEU HD13 H 1 -0.176 0.020 . 1 . . . . 10 LEU HD1 . 15361 1 101 . 1 1 10 10 LEU HD21 H 1 -0.391 0.020 . 1 . . . . 10 LEU HD2 . 15361 1 102 . 1 1 10 10 LEU HD22 H 1 -0.391 0.020 . 1 . . . . 10 LEU HD2 . 15361 1 103 . 1 1 10 10 LEU HD23 H 1 -0.391 0.020 . 1 . . . . 10 LEU HD2 . 15361 1 104 . 1 1 10 10 LEU HG H 1 0.653 0.020 . 1 . . . . 10 LEU HG . 15361 1 105 . 1 1 10 10 LEU C C 13 176.000 0.400 . 1 . . . . 10 LEU C . 15361 1 106 . 1 1 10 10 LEU CA C 13 51.993 0.400 . 1 . . . . 10 LEU CA . 15361 1 107 . 1 1 10 10 LEU CB C 13 44.201 0.400 . 1 . . . . 10 LEU CB . 15361 1 108 . 1 1 10 10 LEU CD1 C 13 24.537 0.400 . 1 . . . . 10 LEU CD1 . 15361 1 109 . 1 1 10 10 LEU CD2 C 13 23.053 0.400 . 1 . . . . 10 LEU CD2 . 15361 1 110 . 1 1 10 10 LEU CG C 13 26.752 0.400 . 1 . . . . 10 LEU CG . 15361 1 111 . 1 1 10 10 LEU N N 15 128.215 0.400 . 1 . . . . 10 LEU N . 15361 1 112 . 1 1 11 11 THR H H 1 9.396 0.020 . 1 . . . . 11 THR H . 15361 1 113 . 1 1 11 11 THR HA H 1 5.644 0.020 . 1 . . . . 11 THR HA . 15361 1 114 . 1 1 11 11 THR HB H 1 4.107 0.020 . 1 . . . . 11 THR HB . 15361 1 115 . 1 1 11 11 THR HG1 H 1 5.409 0.020 . 1 . . . . 11 THR HG1 . 15361 1 116 . 1 1 11 11 THR HG21 H 1 1.080 0.020 . 1 . . . . 11 THR HG2 . 15361 1 117 . 1 1 11 11 THR HG22 H 1 1.080 0.020 . 1 . . . . 11 THR HG2 . 15361 1 118 . 1 1 11 11 THR HG23 H 1 1.080 0.020 . 1 . . . . 11 THR HG2 . 15361 1 119 . 1 1 11 11 THR C C 13 174.500 0.400 . 1 . . . . 11 THR C . 15361 1 120 . 1 1 11 11 THR CA C 13 58.100 0.400 . 1 . . . . 11 THR CA . 15361 1 121 . 1 1 11 11 THR CB C 13 72.029 0.400 . 1 . . . . 11 THR CB . 15361 1 122 . 1 1 11 11 THR CG2 C 13 21.569 0.400 . 1 . . . . 11 THR CG2 . 15361 1 123 . 1 1 11 11 THR N N 15 112.969 0.400 . 1 . . . . 11 THR N . 15361 1 124 . 1 1 12 12 TYR H H 1 8.634 0.020 . 1 . . . . 12 TYR H . 15361 1 125 . 1 1 12 12 TYR HA H 1 5.492 0.020 . 1 . . . . 12 TYR HA . 15361 1 126 . 1 1 12 12 TYR HB2 H 1 2.828 0.020 . 2 . . . . 12 TYR HB2 . 15361 1 127 . 1 1 12 12 TYR HB3 H 1 2.383 0.020 . 2 . . . . 12 TYR HB3 . 15361 1 128 . 1 1 12 12 TYR HD1 H 1 6.490 0.020 . 1 . . . . 12 TYR HD1 . 15361 1 129 . 1 1 12 12 TYR HD2 H 1 6.490 0.020 . 1 . . . . 12 TYR HD2 . 15361 1 130 . 1 1 12 12 TYR HE1 H 1 6.820 0.020 . 1 . . . . 12 TYR HE1 . 15361 1 131 . 1 1 12 12 TYR HE2 H 1 6.820 0.020 . 1 . . . . 12 TYR HE2 . 15361 1 132 . 1 1 12 12 TYR C C 13 171.700 0.400 . 1 . . . . 12 TYR C . 15361 1 133 . 1 1 12 12 TYR CA C 13 55.331 0.400 . 1 . . . . 12 TYR CA . 15361 1 134 . 1 1 12 12 TYR CB C 13 41.975 0.400 . 1 . . . . 12 TYR CB . 15361 1 135 . 1 1 12 12 TYR N N 15 117.848 0.400 . 1 . . . . 12 TYR N . 15361 1 136 . 1 1 13 13 ARG H H 1 7.919 0.020 . 1 . . . . 13 ARG H . 15361 1 137 . 1 1 13 13 ARG HA H 1 4.410 0.020 . 1 . . . . 13 ARG HA . 15361 1 138 . 1 1 13 13 ARG HB2 H 1 1.763 0.020 . 2 . . . . 13 ARG HB2 . 15361 1 139 . 1 1 13 13 ARG HB3 H 1 1.627 0.020 . 2 . . . . 13 ARG HB3 . 15361 1 140 . 1 1 13 13 ARG HD2 H 1 2.755 0.020 . 2 . . . . 13 ARG HD2 . 15361 1 141 . 1 1 13 13 ARG HD3 H 1 2.755 0.020 . 2 . . . . 13 ARG HD3 . 15361 1 142 . 1 1 13 13 ARG HG2 H 1 1.623 0.020 . 2 . . . . 13 ARG HG2 . 15361 1 143 . 1 1 13 13 ARG HG3 H 1 1.623 0.020 . 2 . . . . 13 ARG HG3 . 15361 1 144 . 1 1 13 13 ARG C C 13 173.300 0.400 . 1 . . . . 13 ARG C . 15361 1 145 . 1 1 13 13 ARG CA C 13 55.332 0.400 . 1 . . . . 13 ARG CA . 15361 1 146 . 1 1 13 13 ARG CB C 13 34.217 0.400 . 1 . . . . 13 ARG CB . 15361 1 147 . 1 1 13 13 ARG CD C 13 42.138 0.400 . 1 . . . . 13 ARG CD . 15361 1 148 . 1 1 13 13 ARG CG C 13 28.247 0.400 . 1 . . . . 13 ARG CG . 15361 1 149 . 1 1 13 13 ARG N N 15 117.703 0.400 . 1 . . . . 13 ARG N . 15361 1 150 . 1 1 14 14 ILE H H 1 8.477 0.020 . 1 . . . . 14 ILE H . 15361 1 151 . 1 1 14 14 ILE HA H 1 4.948 0.020 . 1 . . . . 14 ILE HA . 15361 1 152 . 1 1 14 14 ILE HB H 1 1.665 0.020 . 1 . . . . 14 ILE HB . 15361 1 153 . 1 1 14 14 ILE HD11 H 1 1.016 0.020 . 1 . . . . 14 ILE HD1 . 15361 1 154 . 1 1 14 14 ILE HD12 H 1 1.016 0.020 . 1 . . . . 14 ILE HD1 . 15361 1 155 . 1 1 14 14 ILE HD13 H 1 1.016 0.020 . 1 . . . . 14 ILE HD1 . 15361 1 156 . 1 1 14 14 ILE HG12 H 1 0.785 0.020 . 2 . . . . 14 ILE HG12 . 15361 1 157 . 1 1 14 14 ILE HG13 H 1 1.644 0.020 . 2 . . . . 14 ILE HG13 . 15361 1 158 . 1 1 14 14 ILE HG21 H 1 -0.062 0.020 . 1 . . . . 14 ILE HG2 . 15361 1 159 . 1 1 14 14 ILE HG22 H 1 -0.062 0.020 . 1 . . . . 14 ILE HG2 . 15361 1 160 . 1 1 14 14 ILE HG23 H 1 -0.062 0.020 . 1 . . . . 14 ILE HG2 . 15361 1 161 . 1 1 14 14 ILE C C 13 175.600 0.400 . 1 . . . . 14 ILE C . 15361 1 162 . 1 1 14 14 ILE CA C 13 59.985 0.400 . 1 . . . . 14 ILE CA . 15361 1 163 . 1 1 14 14 ILE CB C 13 37.070 0.400 . 1 . . . . 14 ILE CB . 15361 1 164 . 1 1 14 14 ILE CD1 C 13 14.519 0.400 . 1 . . . . 14 ILE CD1 . 15361 1 165 . 1 1 14 14 ILE CG1 C 13 27.783 0.400 . 1 . . . . 14 ILE CG1 . 15361 1 166 . 1 1 14 14 ILE CG2 C 13 16.303 0.400 . 1 . . . . 14 ILE CG2 . 15361 1 167 . 1 1 14 14 ILE N N 15 125.776 0.400 . 1 . . . . 14 ILE N . 15361 1 168 . 1 1 15 15 SER H H 1 9.122 0.020 . 1 . . . . 15 SER H . 15361 1 169 . 1 1 15 15 SER HA H 1 4.341 0.020 . 1 . . . . 15 SER HA . 15361 1 170 . 1 1 15 15 SER HB2 H 1 3.854 0.020 . 2 . . . . 15 SER HB2 . 15361 1 171 . 1 1 15 15 SER HB3 H 1 3.854 0.020 . 2 . . . . 15 SER HB3 . 15361 1 172 . 1 1 15 15 SER C C 13 174.500 0.400 . 1 . . . . 15 SER C . 15361 1 173 . 1 1 15 15 SER CA C 13 58.702 0.400 . 1 . . . . 15 SER CA . 15361 1 174 . 1 1 15 15 SER CB C 13 63.866 0.400 . 1 . . . . 15 SER CB . 15361 1 175 . 1 1 15 15 SER N N 15 122.204 0.400 . 1 . . . . 15 SER N . 15361 1 176 . 1 1 16 16 LYS H H 1 6.910 0.020 . 1 . . . . 16 LYS H . 15361 1 177 . 1 1 16 16 LYS HA H 1 4.641 0.020 . 1 . . . . 16 LYS HA . 15361 1 178 . 1 1 16 16 LYS HB2 H 1 1.903 0.020 . 1 . . . . 16 LYS HB2 . 15361 1 179 . 1 1 16 16 LYS HB3 H 1 1.806 0.020 . 1 . . . . 16 LYS HB3 . 15361 1 180 . 1 1 16 16 LYS HD2 H 1 1.779 0.020 . 2 . . . . 16 LYS HD2 . 15361 1 181 . 1 1 16 16 LYS HD3 H 1 1.779 0.020 . 2 . . . . 16 LYS HD3 . 15361 1 182 . 1 1 16 16 LYS HE2 H 1 2.997 0.020 . 2 . . . . 16 LYS HE2 . 15361 1 183 . 1 1 16 16 LYS HE3 H 1 2.997 0.020 . 2 . . . . 16 LYS HE3 . 15361 1 184 . 1 1 16 16 LYS HG2 H 1 1.536 0.020 . 2 . . . . 16 LYS HG2 . 15361 1 185 . 1 1 16 16 LYS HG3 H 1 1.444 0.020 . 2 . . . . 16 LYS HG3 . 15361 1 186 . 1 1 16 16 LYS C C 13 175.000 0.400 . 1 . . . . 16 LYS C . 15361 1 187 . 1 1 16 16 LYS CA C 13 56.605 0.400 . 1 . . . . 16 LYS CA . 15361 1 188 . 1 1 16 16 LYS CB C 13 36.039 0.400 . 1 . . . . 16 LYS CB . 15361 1 189 . 1 1 16 16 LYS CD C 13 29.360 0.400 . 1 . . . . 16 LYS CD . 15361 1 190 . 1 1 16 16 LYS CE C 13 41.993 0.400 . 1 . . . . 16 LYS CE . 15361 1 191 . 1 1 16 16 LYS CG C 13 24.537 0.400 . 1 . . . . 16 LYS CG . 15361 1 192 . 1 1 16 16 LYS N N 15 120.287 0.400 . 1 . . . . 16 LYS N . 15361 1 193 . 1 1 17 17 TYR H H 1 8.877 0.020 . 1 . . . . 17 TYR H . 15361 1 194 . 1 1 17 17 TYR HA H 1 4.044 0.020 . 1 . . . . 17 TYR HA . 15361 1 195 . 1 1 17 17 TYR HB2 H 1 3.042 0.020 . 1 . . . . 17 TYR HB2 . 15361 1 196 . 1 1 17 17 TYR HB3 H 1 2.619 0.020 . 1 . . . . 17 TYR HB3 . 15361 1 197 . 1 1 17 17 TYR HD1 H 1 6.970 0.020 . 1 . . . . 17 TYR HD1 . 15361 1 198 . 1 1 17 17 TYR HD2 H 1 6.970 0.020 . 1 . . . . 17 TYR HD2 . 15361 1 199 . 1 1 17 17 TYR HE1 H 1 6.880 0.020 . 1 . . . . 17 TYR HE1 . 15361 1 200 . 1 1 17 17 TYR HE2 H 1 6.880 0.020 . 1 . . . . 17 TYR HE2 . 15361 1 201 . 1 1 17 17 TYR C C 13 174.300 0.400 . 1 . . . . 17 TYR C . 15361 1 202 . 1 1 17 17 TYR CA C 13 59.785 0.400 . 1 . . . . 17 TYR CA . 15361 1 203 . 1 1 17 17 TYR CB C 13 39.007 0.400 . 1 . . . . 17 TYR CB . 15361 1 204 . 1 1 17 17 TYR N N 15 122.727 0.400 . 1 . . . . 17 TYR N . 15361 1 205 . 1 1 18 18 THR H H 1 5.492 0.020 . 1 . . . . 18 THR H . 15361 1 206 . 1 1 18 18 THR HA H 1 5.252 0.020 . 1 . . . . 18 THR HA . 15361 1 207 . 1 1 18 18 THR HB H 1 3.298 0.020 . 1 . . . . 18 THR HB . 15361 1 208 . 1 1 18 18 THR HG1 H 1 6.762 0.020 . 1 . . . . 18 THR HG1 . 15361 1 209 . 1 1 18 18 THR HG21 H 1 0.209 0.020 . 1 . . . . 18 THR HG2 . 15361 1 210 . 1 1 18 18 THR HG22 H 1 0.209 0.020 . 1 . . . . 18 THR HG2 . 15361 1 211 . 1 1 18 18 THR HG23 H 1 0.209 0.020 . 1 . . . . 18 THR HG2 . 15361 1 212 . 1 1 18 18 THR CA C 13 54.961 0.400 . 1 . . . . 18 THR CA . 15361 1 213 . 1 1 18 18 THR CB C 13 69.061 0.400 . 1 . . . . 18 THR CB . 15361 1 214 . 1 1 18 18 THR CG2 C 13 17.858 0.400 . 1 . . . . 18 THR CG2 . 15361 1 215 . 1 1 18 18 THR N N 15 112.359 0.400 . 1 . . . . 18 THR N . 15361 1 216 . 1 1 19 19 PRO HA H 1 4.595 0.020 . 1 . . . . 19 PRO HA . 15361 1 217 . 1 1 19 19 PRO HB2 H 1 2.207 0.020 . 1 . . . . 19 PRO HB2 . 15361 1 218 . 1 1 19 19 PRO HB3 H 1 1.996 0.020 . 1 . . . . 19 PRO HB3 . 15361 1 219 . 1 1 19 19 PRO HD2 H 1 4.088 0.020 . 2 . . . . 19 PRO HD2 . 15361 1 220 . 1 1 19 19 PRO HD3 H 1 3.725 0.020 . 2 . . . . 19 PRO HD3 . 15361 1 221 . 1 1 19 19 PRO HG2 H 1 1.989 0.020 . 1 . . . . 19 PRO HG2 . 15361 1 222 . 1 1 19 19 PRO HG3 H 1 1.919 0.020 . 1 . . . . 19 PRO HG3 . 15361 1 223 . 1 1 19 19 PRO CA C 13 63.124 0.400 . 1 . . . . 19 PRO CA . 15361 1 224 . 1 1 19 19 PRO CB C 13 31.586 0.400 . 1 . . . . 19 PRO CB . 15361 1 225 . 1 1 19 19 PRO CD C 13 50.880 0.400 . 1 . . . . 19 PRO CD . 15361 1 226 . 1 1 19 19 PRO CG C 13 26.392 0.400 . 1 . . . . 19 PRO CG . 15361 1 227 . 1 1 20 20 SER H H 1 8.237 0.020 . 1 . . . . 20 SER H . 15361 1 228 . 1 1 20 20 SER HA H 1 4.128 0.020 . 1 . . . . 20 SER HA . 15361 1 229 . 1 1 20 20 SER HB2 H 1 4.066 0.020 . 2 . . . . 20 SER HB2 . 15361 1 230 . 1 1 20 20 SER HB3 H 1 4.013 0.020 . 2 . . . . 20 SER HB3 . 15361 1 231 . 1 1 20 20 SER C C 13 172.800 0.400 . 1 . . . . 20 SER C . 15361 1 232 . 1 1 20 20 SER CA C 13 60.156 0.400 . 1 . . . . 20 SER CA . 15361 1 233 . 1 1 20 20 SER CB C 13 64.237 0.400 . 1 . . . . 20 SER CB . 15361 1 234 . 1 1 20 20 SER N N 15 114.188 0.400 . 1 . . . . 20 SER N . 15361 1 235 . 1 1 21 21 MET H H 1 7.091 0.020 . 1 . . . . 21 MET H . 15361 1 236 . 1 1 21 21 MET HA H 1 4.604 0.020 . 1 . . . . 21 MET HA . 15361 1 237 . 1 1 21 21 MET HB2 H 1 2.123 0.020 . 2 . . . . 21 MET HB2 . 15361 1 238 . 1 1 21 21 MET HB3 H 1 1.419 0.020 . 2 . . . . 21 MET HB3 . 15361 1 239 . 1 1 21 21 MET HE1 H 1 1.775 0.020 . 1 . . . . 21 MET HE . 15361 1 240 . 1 1 21 21 MET HE2 H 1 1.775 0.020 . 1 . . . . 21 MET HE . 15361 1 241 . 1 1 21 21 MET HE3 H 1 1.775 0.020 . 1 . . . . 21 MET HE . 15361 1 242 . 1 1 21 21 MET HG2 H 1 2.372 0.020 . 2 . . . . 21 MET HG2 . 15361 1 243 . 1 1 21 21 MET HG3 H 1 2.217 0.020 . 2 . . . . 21 MET HG3 . 15361 1 244 . 1 1 21 21 MET C C 13 174.300 0.400 . 1 . . . . 21 MET C . 15361 1 245 . 1 1 21 21 MET CA C 13 54.119 0.400 . 1 . . . . 21 MET CA . 15361 1 246 . 1 1 21 21 MET CB C 13 38.405 0.400 . 1 . . . . 21 MET CB . 15361 1 247 . 1 1 21 21 MET CE C 13 17.116 0.400 . 1 . . . . 21 MET CE . 15361 1 248 . 1 1 21 21 MET CG C 13 31.586 0.400 . 1 . . . . 21 MET CG . 15361 1 249 . 1 1 21 21 MET N N 15 117.803 0.400 . 1 . . . . 21 MET N . 15361 1 250 . 1 1 22 22 SER H H 1 8.745 0.020 . 1 . . . . 22 SER H . 15361 1 251 . 1 1 22 22 SER HA H 1 4.401 0.020 . 1 . . . . 22 SER HA . 15361 1 252 . 1 1 22 22 SER HB2 H 1 3.864 0.020 . 2 . . . . 22 SER HB2 . 15361 1 253 . 1 1 22 22 SER HB3 H 1 4.165 0.020 . 2 . . . . 22 SER HB3 . 15361 1 254 . 1 1 22 22 SER C C 13 176.100 0.400 . 1 . . . . 22 SER C . 15361 1 255 . 1 1 22 22 SER CA C 13 57.609 0.400 . 1 . . . . 22 SER CA . 15361 1 256 . 1 1 22 22 SER CB C 13 63.806 0.400 . 1 . . . . 22 SER CB . 15361 1 257 . 1 1 22 22 SER N N 15 117.003 0.400 . 1 . . . . 22 SER N . 15361 1 258 . 1 1 23 23 SER H H 1 9.070 0.020 . 1 . . . . 23 SER H . 15361 1 259 . 1 1 23 23 SER HA H 1 3.860 0.020 . 1 . . . . 23 SER HA . 15361 1 260 . 1 1 23 23 SER HB2 H 1 3.157 0.020 . 2 . . . . 23 SER HB2 . 15361 1 261 . 1 1 23 23 SER HB3 H 1 3.157 0.020 . 2 . . . . 23 SER HB3 . 15361 1 262 . 1 1 23 23 SER CA C 13 61.100 0.400 . 1 . . . . 23 SER CA . 15361 1 263 . 1 1 23 23 SER CB C 13 61.408 0.400 . 1 . . . . 23 SER CB . 15361 1 264 . 1 1 23 23 SER N N 15 122.317 0.400 . 1 . . . . 23 SER N . 15361 1 265 . 1 1 24 24 VAL H H 1 7.361 0.020 . 1 . . . . 24 VAL H . 15361 1 266 . 1 1 24 24 VAL HA H 1 3.887 0.020 . 1 . . . . 24 VAL HA . 15361 1 267 . 1 1 24 24 VAL HB H 1 1.950 0.020 . 1 . . . . 24 VAL HB . 15361 1 268 . 1 1 24 24 VAL HG11 H 1 0.961 0.020 . 2 . . . . 24 VAL HG1 . 15361 1 269 . 1 1 24 24 VAL HG12 H 1 0.961 0.020 . 2 . . . . 24 VAL HG1 . 15361 1 270 . 1 1 24 24 VAL HG13 H 1 0.961 0.020 . 2 . . . . 24 VAL HG1 . 15361 1 271 . 1 1 24 24 VAL HG21 H 1 0.926 0.020 . 2 . . . . 24 VAL HG2 . 15361 1 272 . 1 1 24 24 VAL HG22 H 1 0.926 0.020 . 2 . . . . 24 VAL HG2 . 15361 1 273 . 1 1 24 24 VAL HG23 H 1 0.926 0.020 . 2 . . . . 24 VAL HG2 . 15361 1 274 . 1 1 24 24 VAL C C 13 178.600 0.400 . 1 . . . . 24 VAL C . 15361 1 275 . 1 1 24 24 VAL CA C 13 65.100 0.400 . 1 . . . . 24 VAL CA . 15361 1 276 . 1 1 24 24 VAL CB C 13 31.506 0.400 . 1 . . . . 24 VAL CB . 15361 1 277 . 1 1 24 24 VAL CG1 C 13 21.197 0.400 . 1 . . . . 24 VAL CG1 . 15361 1 278 . 1 1 24 24 VAL CG2 C 13 21.026 0.400 . 1 . . . . 24 VAL CG2 . 15361 1 279 . 1 1 24 24 VAL N N 15 119.067 0.400 . 1 . . . . 24 VAL N . 15361 1 280 . 1 1 25 25 GLU H H 1 7.298 0.020 . 1 . . . . 25 GLU H . 15361 1 281 . 1 1 25 25 GLU HA H 1 4.045 0.020 . 1 . . . . 25 GLU HA . 15361 1 282 . 1 1 25 25 GLU HB2 H 1 2.169 0.020 . 2 . . . . 25 GLU HB2 . 15361 1 283 . 1 1 25 25 GLU HB3 H 1 2.082 0.020 . 2 . . . . 25 GLU HB3 . 15361 1 284 . 1 1 25 25 GLU HG2 H 1 2.325 0.020 . 2 . . . . 25 GLU HG2 . 15361 1 285 . 1 1 25 25 GLU HG3 H 1 2.137 0.020 . 2 . . . . 25 GLU HG3 . 15361 1 286 . 1 1 25 25 GLU C C 13 178.300 0.400 . 1 . . . . 25 GLU C . 15361 1 287 . 1 1 25 25 GLU CA C 13 59.043 0.400 . 1 . . . . 25 GLU CA . 15361 1 288 . 1 1 25 25 GLU CB C 13 30.102 0.400 . 1 . . . . 25 GLU CB . 15361 1 289 . 1 1 25 25 GLU CG C 13 37.523 0.400 . 1 . . . . 25 GLU CG . 15361 1 290 . 1 1 25 25 GLU N N 15 120.902 0.400 . 1 . . . . 25 GLU N . 15361 1 291 . 1 1 26 26 VAL H H 1 7.913 0.020 . 1 . . . . 26 VAL H . 15361 1 292 . 1 1 26 26 VAL HA H 1 3.380 0.020 . 1 . . . . 26 VAL HA . 15361 1 293 . 1 1 26 26 VAL HB H 1 2.408 0.020 . 1 . . . . 26 VAL HB . 15361 1 294 . 1 1 26 26 VAL HG11 H 1 0.898 0.020 . 2 . . . . 26 VAL HG1 . 15361 1 295 . 1 1 26 26 VAL HG12 H 1 0.898 0.020 . 2 . . . . 26 VAL HG1 . 15361 1 296 . 1 1 26 26 VAL HG13 H 1 0.898 0.020 . 2 . . . . 26 VAL HG1 . 15361 1 297 . 1 1 26 26 VAL HG21 H 1 0.928 0.020 . 2 . . . . 26 VAL HG2 . 15361 1 298 . 1 1 26 26 VAL HG22 H 1 0.928 0.020 . 2 . . . . 26 VAL HG2 . 15361 1 299 . 1 1 26 26 VAL HG23 H 1 0.928 0.020 . 2 . . . . 26 VAL HG2 . 15361 1 300 . 1 1 26 26 VAL C C 13 177.200 0.400 . 1 . . . . 26 VAL C . 15361 1 301 . 1 1 26 26 VAL CA C 13 66.704 0.400 . 1 . . . . 26 VAL CA . 15361 1 302 . 1 1 26 26 VAL CB C 13 31.004 0.400 . 1 . . . . 26 VAL CB . 15361 1 303 . 1 1 26 26 VAL CG1 C 13 23.424 0.400 . 1 . . . . 26 VAL CG1 . 15361 1 304 . 1 1 26 26 VAL CG2 C 13 21.535 0.400 . 1 . . . . 26 VAL CG2 . 15361 1 305 . 1 1 26 26 VAL N N 15 120.702 0.400 . 1 . . . . 26 VAL N . 15361 1 306 . 1 1 27 27 ASP H H 1 8.681 0.020 . 1 . . . . 27 ASP H . 15361 1 307 . 1 1 27 27 ASP HA H 1 4.208 0.020 . 1 . . . . 27 ASP HA . 15361 1 308 . 1 1 27 27 ASP HB2 H 1 2.878 0.020 . 2 . . . . 27 ASP HB2 . 15361 1 309 . 1 1 27 27 ASP HB3 H 1 2.561 0.020 . 2 . . . . 27 ASP HB3 . 15361 1 310 . 1 1 27 27 ASP C C 13 179.000 0.400 . 1 . . . . 27 ASP C . 15361 1 311 . 1 1 27 27 ASP CA C 13 57.559 0.400 . 1 . . . . 27 ASP CA . 15361 1 312 . 1 1 27 27 ASP CB C 13 39.749 0.400 . 1 . . . . 27 ASP CB . 15361 1 313 . 1 1 27 27 ASP N N 15 118.762 0.400 . 1 . . . . 27 ASP N . 15361 1 314 . 1 1 28 28 LYS H H 1 7.825 0.020 . 1 . . . . 28 LYS H . 15361 1 315 . 1 1 28 28 LYS HA H 1 4.152 0.020 . 1 . . . . 28 LYS HA . 15361 1 316 . 1 1 28 28 LYS HB2 H 1 1.946 0.020 . 2 . . . . 28 LYS HB2 . 15361 1 317 . 1 1 28 28 LYS HB3 H 1 1.946 0.020 . 2 . . . . 28 LYS HB3 . 15361 1 318 . 1 1 28 28 LYS HD2 H 1 1.734 0.020 . 2 . . . . 28 LYS HD2 . 15361 1 319 . 1 1 28 28 LYS HD3 H 1 1.624 0.020 . 2 . . . . 28 LYS HD3 . 15361 1 320 . 1 1 28 28 LYS HE2 H 1 2.928 0.020 . 2 . . . . 28 LYS HE2 . 15361 1 321 . 1 1 28 28 LYS HE3 H 1 2.928 0.020 . 2 . . . . 28 LYS HE3 . 15361 1 322 . 1 1 28 28 LYS HG2 H 1 1.537 0.020 . 2 . . . . 28 LYS HG2 . 15361 1 323 . 1 1 28 28 LYS HG3 H 1 1.490 0.020 . 2 . . . . 28 LYS HG3 . 15361 1 324 . 1 1 28 28 LYS C C 13 177.700 0.400 . 1 . . . . 28 LYS C . 15361 1 325 . 1 1 28 28 LYS CA C 13 58.672 0.400 . 1 . . . . 28 LYS CA . 15361 1 326 . 1 1 28 28 LYS CB C 13 31.957 0.400 . 1 . . . . 28 LYS CB . 15361 1 327 . 1 1 28 28 LYS CD C 13 28.618 0.400 . 1 . . . . 28 LYS CD . 15361 1 328 . 1 1 28 28 LYS CE C 13 41.804 0.400 . 1 . . . . 28 LYS CE . 15361 1 329 . 1 1 28 28 LYS CG C 13 24.537 0.400 . 1 . . . . 28 LYS CG . 15361 1 330 . 1 1 28 28 LYS N N 15 120.287 0.400 . 1 . . . . 28 LYS N . 15361 1 331 . 1 1 29 29 ALA H H 1 8.532 0.020 . 1 . . . . 29 ALA H . 15361 1 332 . 1 1 29 29 ALA HA H 1 4.093 0.020 . 1 . . . . 29 ALA HA . 15361 1 333 . 1 1 29 29 ALA HB1 H 1 1.449 0.020 . 1 . . . . 29 ALA HB . 15361 1 334 . 1 1 29 29 ALA HB2 H 1 1.449 0.020 . 1 . . . . 29 ALA HB . 15361 1 335 . 1 1 29 29 ALA HB3 H 1 1.449 0.020 . 1 . . . . 29 ALA HB . 15361 1 336 . 1 1 29 29 ALA C C 13 179.600 0.400 . 1 . . . . 29 ALA C . 15361 1 337 . 1 1 29 29 ALA CA C 13 55.903 0.400 . 1 . . . . 29 ALA CA . 15361 1 338 . 1 1 29 29 ALA CB C 13 18.600 0.400 . 1 . . . . 29 ALA CB . 15361 1 339 . 1 1 29 29 ALA N N 15 122.422 0.400 . 1 . . . . 29 ALA N . 15361 1 340 . 1 1 30 30 VAL H H 1 8.280 0.020 . 1 . . . . 30 VAL H . 15361 1 341 . 1 1 30 30 VAL HA H 1 3.505 0.020 . 1 . . . . 30 VAL HA . 15361 1 342 . 1 1 30 30 VAL HB H 1 2.242 0.020 . 1 . . . . 30 VAL HB . 15361 1 343 . 1 1 30 30 VAL HG11 H 1 0.996 0.020 . 2 . . . . 30 VAL HG1 . 15361 1 344 . 1 1 30 30 VAL HG12 H 1 0.996 0.020 . 2 . . . . 30 VAL HG1 . 15361 1 345 . 1 1 30 30 VAL HG13 H 1 0.996 0.020 . 2 . . . . 30 VAL HG1 . 15361 1 346 . 1 1 30 30 VAL HG21 H 1 0.736 0.020 . 2 . . . . 30 VAL HG2 . 15361 1 347 . 1 1 30 30 VAL HG22 H 1 0.736 0.020 . 2 . . . . 30 VAL HG2 . 15361 1 348 . 1 1 30 30 VAL HG23 H 1 0.736 0.020 . 2 . . . . 30 VAL HG2 . 15361 1 349 . 1 1 30 30 VAL C C 13 176.600 0.400 . 1 . . . . 30 VAL C . 15361 1 350 . 1 1 30 30 VAL CA C 13 67.105 0.400 . 1 . . . . 30 VAL CA . 15361 1 351 . 1 1 30 30 VAL CB C 13 31.284 0.400 . 1 . . . . 30 VAL CB . 15361 1 352 . 1 1 30 30 VAL CG1 C 13 22.682 0.400 . 1 . . . . 30 VAL CG1 . 15361 1 353 . 1 1 30 30 VAL CG2 C 13 21.569 0.400 . 1 . . . . 30 VAL CG2 . 15361 1 354 . 1 1 30 30 VAL N N 15 115.408 0.400 . 1 . . . . 30 VAL N . 15361 1 355 . 1 1 31 31 GLU H H 1 8.170 0.020 . 1 . . . . 31 GLU H . 15361 1 356 . 1 1 31 31 GLU HA H 1 3.704 0.020 . 1 . . . . 31 GLU HA . 15361 1 357 . 1 1 31 31 GLU HB2 H 1 2.227 0.020 . 2 . . . . 31 GLU HB2 . 15361 1 358 . 1 1 31 31 GLU HB3 H 1 2.166 0.020 . 2 . . . . 31 GLU HB3 . 15361 1 359 . 1 1 31 31 GLU HG2 H 1 2.331 0.020 . 2 . . . . 31 GLU HG2 . 15361 1 360 . 1 1 31 31 GLU HG3 H 1 2.162 0.020 . 2 . . . . 31 GLU HG3 . 15361 1 361 . 1 1 31 31 GLU C C 13 179.200 0.400 . 1 . . . . 31 GLU C . 15361 1 362 . 1 1 31 31 GLU CA C 13 60.156 0.400 . 1 . . . . 31 GLU CA . 15361 1 363 . 1 1 31 31 GLU CB C 13 29.631 0.400 . 1 . . . . 31 GLU CB . 15361 1 364 . 1 1 31 31 GLU CG C 13 36.410 0.400 . 1 . . . . 31 GLU CG . 15361 1 365 . 1 1 31 31 GLU N N 15 119.677 0.400 . 1 . . . . 31 GLU N . 15361 1 366 . 1 1 32 32 MET H H 1 8.659 0.020 . 1 . . . . 32 MET H . 15361 1 367 . 1 1 32 32 MET HA H 1 4.061 0.020 . 1 . . . . 32 MET HA . 15361 1 368 . 1 1 32 32 MET HB2 H 1 2.232 0.020 . 1 . . . . 32 MET HB2 . 15361 1 369 . 1 1 32 32 MET HB3 H 1 1.971 0.020 . 1 . . . . 32 MET HB3 . 15361 1 370 . 1 1 32 32 MET HE1 H 1 1.628 0.020 . 1 . . . . 32 MET HE . 15361 1 371 . 1 1 32 32 MET HE2 H 1 1.628 0.020 . 1 . . . . 32 MET HE . 15361 1 372 . 1 1 32 32 MET HE3 H 1 1.628 0.020 . 1 . . . . 32 MET HE . 15361 1 373 . 1 1 32 32 MET HG2 H 1 2.926 0.020 . 2 . . . . 32 MET HG2 . 15361 1 374 . 1 1 32 32 MET HG3 H 1 2.837 0.020 . 2 . . . . 32 MET HG3 . 15361 1 375 . 1 1 32 32 MET C C 13 178.900 0.400 . 1 . . . . 32 MET C . 15361 1 376 . 1 1 32 32 MET CA C 13 59.414 0.400 . 1 . . . . 32 MET CA . 15361 1 377 . 1 1 32 32 MET CB C 13 33.555 0.400 . 1 . . . . 32 MET CB . 15361 1 378 . 1 1 32 32 MET CE C 13 16.203 0.400 . 1 . . . . 32 MET CE . 15361 1 379 . 1 1 32 32 MET CG C 13 31.940 0.400 . 1 . . . . 32 MET CG . 15361 1 380 . 1 1 32 32 MET N N 15 117.238 0.400 . 1 . . . . 32 MET N . 15361 1 381 . 1 1 33 33 ALA H H 1 8.370 0.020 . 1 . . . . 33 ALA H . 15361 1 382 . 1 1 33 33 ALA HA H 1 3.933 0.020 . 1 . . . . 33 ALA HA . 15361 1 383 . 1 1 33 33 ALA HB1 H 1 1.379 0.020 . 1 . . . . 33 ALA HB . 15361 1 384 . 1 1 33 33 ALA HB2 H 1 1.379 0.020 . 1 . . . . 33 ALA HB . 15361 1 385 . 1 1 33 33 ALA HB3 H 1 1.379 0.020 . 1 . . . . 33 ALA HB . 15361 1 386 . 1 1 33 33 ALA C C 13 178.100 0.400 . 1 . . . . 33 ALA C . 15361 1 387 . 1 1 33 33 ALA CA C 13 55.332 0.400 . 1 . . . . 33 ALA CA . 15361 1 388 . 1 1 33 33 ALA CB C 13 18.229 0.400 . 1 . . . . 33 ALA CB . 15361 1 389 . 1 1 33 33 ALA N N 15 124.100 0.400 . 1 . . . . 33 ALA N . 15361 1 390 . 1 1 34 34 LEU H H 1 7.975 0.020 . 1 . . . . 34 LEU H . 15361 1 391 . 1 1 34 34 LEU HA H 1 3.693 0.020 . 1 . . . . 34 LEU HA . 15361 1 392 . 1 1 34 34 LEU HB2 H 1 1.264 0.020 . 2 . . . . 34 LEU HB2 . 15361 1 393 . 1 1 34 34 LEU HB3 H 1 0.411 0.020 . 2 . . . . 34 LEU HB3 . 15361 1 394 . 1 1 34 34 LEU HD11 H 1 -0.900 0.020 . 2 . . . . 34 LEU HD1 . 15361 1 395 . 1 1 34 34 LEU HD12 H 1 -0.900 0.020 . 2 . . . . 34 LEU HD1 . 15361 1 396 . 1 1 34 34 LEU HD13 H 1 -0.900 0.020 . 2 . . . . 34 LEU HD1 . 15361 1 397 . 1 1 34 34 LEU HD21 H 1 -1.308 0.020 . 2 . . . . 34 LEU HD2 . 15361 1 398 . 1 1 34 34 LEU HD22 H 1 -1.308 0.020 . 2 . . . . 34 LEU HD2 . 15361 1 399 . 1 1 34 34 LEU HD23 H 1 -1.308 0.020 . 2 . . . . 34 LEU HD2 . 15361 1 400 . 1 1 34 34 LEU HG H 1 0.747 0.020 . 1 . . . . 34 LEU HG . 15361 1 401 . 1 1 34 34 LEU C C 13 179.500 0.400 . 1 . . . . 34 LEU C . 15361 1 402 . 1 1 34 34 LEU CA C 13 57.559 0.400 . 1 . . . . 34 LEU CA . 15361 1 403 . 1 1 34 34 LEU CB C 13 40.120 0.400 . 1 . . . . 34 LEU CB . 15361 1 404 . 1 1 34 34 LEU CD1 C 13 24.166 0.400 . 1 . . . . 34 LEU CD1 . 15361 1 405 . 1 1 34 34 LEU CD2 C 13 18.971 0.400 . 1 . . . . 34 LEU CD2 . 15361 1 406 . 1 1 34 34 LEU CG C 13 24.900 0.400 . 1 . . . . 34 LEU CG . 15361 1 407 . 1 1 34 34 LEU N N 15 117.703 0.400 . 1 . . . . 34 LEU N . 15361 1 408 . 1 1 35 35 GLN H H 1 8.191 0.020 . 1 . . . . 35 GLN H . 15361 1 409 . 1 1 35 35 GLN HA H 1 4.210 0.020 . 1 . . . . 35 GLN HA . 15361 1 410 . 1 1 35 35 GLN HB2 H 1 2.215 0.020 . 1 . . . . 35 GLN HB2 . 15361 1 411 . 1 1 35 35 GLN HB3 H 1 2.091 0.020 . 1 . . . . 35 GLN HB3 . 15361 1 412 . 1 1 35 35 GLN HE21 H 1 6.809 0.020 . 2 . . . . 35 GLN HE21 . 15361 1 413 . 1 1 35 35 GLN HE22 H 1 7.513 0.020 . 2 . . . . 35 GLN HE22 . 15361 1 414 . 1 1 35 35 GLN HG2 H 1 2.546 0.020 . 2 . . . . 35 GLN HG2 . 15361 1 415 . 1 1 35 35 GLN HG3 H 1 2.457 0.020 . 2 . . . . 35 GLN HG3 . 15361 1 416 . 1 1 35 35 GLN C C 13 178.400 0.400 . 1 . . . . 35 GLN C . 15361 1 417 . 1 1 35 35 GLN CA C 13 57.559 0.400 . 1 . . . . 35 GLN CA . 15361 1 418 . 1 1 35 35 GLN CB C 13 27.505 0.400 . 1 . . . . 35 GLN CB . 15361 1 419 . 1 1 35 35 GLN CG C 13 34.003 0.400 . 1 . . . . 35 GLN CG . 15361 1 420 . 1 1 35 35 GLN N N 15 118.152 0.400 . 1 . . . . 35 GLN N . 15361 1 421 . 1 1 36 36 ALA H H 1 7.588 0.020 . 1 . . . . 36 ALA H . 15361 1 422 . 1 1 36 36 ALA HA H 1 4.095 0.020 . 1 . . . . 36 ALA HA . 15361 1 423 . 1 1 36 36 ALA HB1 H 1 1.213 0.020 . 1 . . . . 36 ALA HB . 15361 1 424 . 1 1 36 36 ALA HB2 H 1 1.213 0.020 . 1 . . . . 36 ALA HB . 15361 1 425 . 1 1 36 36 ALA HB3 H 1 1.213 0.020 . 1 . . . . 36 ALA HB . 15361 1 426 . 1 1 36 36 ALA C C 13 179.400 0.400 . 1 . . . . 36 ALA C . 15361 1 427 . 1 1 36 36 ALA CA C 13 54.961 0.400 . 1 . . . . 36 ALA CA . 15361 1 428 . 1 1 36 36 ALA CB C 13 16.745 0.400 . 1 . . . . 36 ALA CB . 15361 1 429 . 1 1 36 36 ALA N N 15 121.507 0.400 . 1 . . . . 36 ALA N . 15361 1 430 . 1 1 37 37 TRP H H 1 6.884 0.020 . 1 . . . . 37 TRP H . 15361 1 431 . 1 1 37 37 TRP HA H 1 4.602 0.020 . 1 . . . . 37 TRP HA . 15361 1 432 . 1 1 37 37 TRP HB2 H 1 3.090 0.020 . 2 . . . . 37 TRP HB2 . 15361 1 433 . 1 1 37 37 TRP HB3 H 1 3.090 0.020 . 2 . . . . 37 TRP HB3 . 15361 1 434 . 1 1 37 37 TRP HD1 H 1 7.283 0.020 . 1 . . . . 37 TRP HD1 . 15361 1 435 . 1 1 37 37 TRP HE1 H 1 10.587 0.020 . 1 . . . . 37 TRP HE1 . 15361 1 436 . 1 1 37 37 TRP HH2 H 1 6.881 0.020 . 1 . . . . 37 TRP HH2 . 15361 1 437 . 1 1 37 37 TRP HZ2 H 1 7.210 0.020 . 1 . . . . 37 TRP HZ2 . 15361 1 438 . 1 1 37 37 TRP HZ3 H 1 7.396 0.020 . 1 . . . . 37 TRP HZ3 . 15361 1 439 . 1 1 37 37 TRP C C 13 178.700 0.400 . 1 . . . . 37 TRP C . 15361 1 440 . 1 1 37 37 TRP CA C 13 59.414 0.400 . 1 . . . . 37 TRP CA . 15361 1 441 . 1 1 37 37 TRP CB C 13 29.731 0.400 . 1 . . . . 37 TRP CB . 15361 1 442 . 1 1 37 37 TRP N N 15 116.628 0.400 . 1 . . . . 37 TRP N . 15361 1 443 . 1 1 38 38 SER H H 1 8.638 0.020 . 1 . . . . 38 SER H . 15361 1 444 . 1 1 38 38 SER HA H 1 4.361 0.020 . 1 . . . . 38 SER HA . 15361 1 445 . 1 1 38 38 SER HB2 H 1 4.047 0.020 . 2 . . . . 38 SER HB2 . 15361 1 446 . 1 1 38 38 SER HB3 H 1 4.306 0.020 . 2 . . . . 38 SER HB3 . 15361 1 447 . 1 1 38 38 SER C C 13 175.200 0.400 . 1 . . . . 38 SER C . 15361 1 448 . 1 1 38 38 SER CA C 13 60.898 0.400 . 1 . . . . 38 SER CA . 15361 1 449 . 1 1 38 38 SER CB C 13 63.124 0.400 . 1 . . . . 38 SER CB . 15361 1 450 . 1 1 38 38 SER N N 15 123.900 0.400 . 1 . . . . 38 SER N . 15361 1 451 . 1 1 39 39 SER H H 1 7.866 0.020 . 1 . . . . 39 SER H . 15361 1 452 . 1 1 39 39 SER HA H 1 4.233 0.020 . 1 . . . . 39 SER HA . 15361 1 453 . 1 1 39 39 SER HB2 H 1 4.051 0.020 . 2 . . . . 39 SER HB2 . 15361 1 454 . 1 1 39 39 SER HB3 H 1 3.964 0.020 . 2 . . . . 39 SER HB3 . 15361 1 455 . 1 1 39 39 SER C C 13 174.500 0.400 . 1 . . . . 39 SER C . 15361 1 456 . 1 1 39 39 SER CA C 13 60.898 0.400 . 1 . . . . 39 SER CA . 15361 1 457 . 1 1 39 39 SER CB C 13 63.495 0.400 . 1 . . . . 39 SER CB . 15361 1 458 . 1 1 39 39 SER N N 15 112.969 0.400 . 1 . . . . 39 SER N . 15361 1 459 . 1 1 40 40 ALA H H 1 7.643 0.020 . 1 . . . . 40 ALA H . 15361 1 460 . 1 1 40 40 ALA HA H 1 4.655 0.020 . 1 . . . . 40 ALA HA . 15361 1 461 . 1 1 40 40 ALA HB1 H 1 1.616 0.020 . 1 . . . . 40 ALA HB . 15361 1 462 . 1 1 40 40 ALA HB2 H 1 1.616 0.020 . 1 . . . . 40 ALA HB . 15361 1 463 . 1 1 40 40 ALA HB3 H 1 1.616 0.020 . 1 . . . . 40 ALA HB . 15361 1 464 . 1 1 40 40 ALA C C 13 177.300 0.400 . 1 . . . . 40 ALA C . 15361 1 465 . 1 1 40 40 ALA CA C 13 52.905 0.400 . 1 . . . . 40 ALA CA . 15361 1 466 . 1 1 40 40 ALA CB C 13 22.682 0.400 . 1 . . . . 40 ALA CB . 15361 1 467 . 1 1 40 40 ALA N N 15 121.507 0.400 . 1 . . . . 40 ALA N . 15361 1 468 . 1 1 41 41 VAL H H 1 7.423 0.020 . 1 . . . . 41 VAL H . 15361 1 469 . 1 1 41 41 VAL HA H 1 5.249 0.020 . 1 . . . . 41 VAL HA . 15361 1 470 . 1 1 41 41 VAL HB H 1 2.081 0.020 . 1 . . . . 41 VAL HB . 15361 1 471 . 1 1 41 41 VAL HG11 H 1 1.294 0.020 . 2 . . . . 41 VAL HG1 . 15361 1 472 . 1 1 41 41 VAL HG12 H 1 1.294 0.020 . 2 . . . . 41 VAL HG1 . 15361 1 473 . 1 1 41 41 VAL HG13 H 1 1.294 0.020 . 2 . . . . 41 VAL HG1 . 15361 1 474 . 1 1 41 41 VAL HG21 H 1 0.811 0.020 . 2 . . . . 41 VAL HG2 . 15361 1 475 . 1 1 41 41 VAL HG22 H 1 0.811 0.020 . 2 . . . . 41 VAL HG2 . 15361 1 476 . 1 1 41 41 VAL HG23 H 1 0.811 0.020 . 2 . . . . 41 VAL HG2 . 15361 1 477 . 1 1 41 41 VAL C C 13 174.300 0.400 . 1 . . . . 41 VAL C . 15361 1 478 . 1 1 41 41 VAL CA C 13 57.188 0.400 . 1 . . . . 41 VAL CA . 15361 1 479 . 1 1 41 41 VAL CB C 13 34.926 0.400 . 1 . . . . 41 VAL CB . 15361 1 480 . 1 1 41 41 VAL CG1 C 13 25.650 0.400 . 1 . . . . 41 VAL CG1 . 15361 1 481 . 1 1 41 41 VAL CG2 C 13 17.487 0.400 . 1 . . . . 41 VAL CG2 . 15361 1 482 . 1 1 41 41 VAL N N 15 109.004 0.400 . 1 . . . . 41 VAL N . 15361 1 483 . 1 1 42 42 PRO HA H 1 4.577 0.020 . 1 . . . . 42 PRO HA . 15361 1 484 . 1 1 42 42 PRO HB2 H 1 2.313 0.020 . 2 . . . . 42 PRO HB2 . 15361 1 485 . 1 1 42 42 PRO HB3 H 1 2.313 0.020 . 2 . . . . 42 PRO HB3 . 15361 1 486 . 1 1 42 42 PRO HD2 H 1 3.350 0.020 . 1 . . . . 42 PRO HD2 . 15361 1 487 . 1 1 42 42 PRO HD3 H 1 3.245 0.020 . 1 . . . . 42 PRO HD3 . 15361 1 488 . 1 1 42 42 PRO HG2 H 1 1.932 0.020 . 2 . . . . 42 PRO HG2 . 15361 1 489 . 1 1 42 42 PRO HG3 H 1 1.793 0.020 . 2 . . . . 42 PRO HG3 . 15361 1 490 . 1 1 42 42 PRO CA C 13 62.011 0.400 . 1 . . . . 42 PRO CA . 15361 1 491 . 1 1 42 42 PRO CB C 13 27.876 0.400 . 1 . . . . 42 PRO CB . 15361 1 492 . 1 1 42 42 PRO CD C 13 50.884 0.400 . 1 . . . . 42 PRO CD . 15361 1 493 . 1 1 42 42 PRO CG C 13 27.466 0.400 . 1 . . . . 42 PRO CG . 15361 1 494 . 1 1 43 43 LEU H H 1 7.895 0.020 . 1 . . . . 43 LEU H . 15361 1 495 . 1 1 43 43 LEU HA H 1 4.746 0.020 . 1 . . . . 43 LEU HA . 15361 1 496 . 1 1 43 43 LEU HB2 H 1 0.393 0.020 . 2 . . . . 43 LEU HB2 . 15361 1 497 . 1 1 43 43 LEU HB3 H 1 0.872 0.020 . 2 . . . . 43 LEU HB3 . 15361 1 498 . 1 1 43 43 LEU HD11 H 1 -0.012 0.020 . 2 . . . . 43 LEU HD1 . 15361 1 499 . 1 1 43 43 LEU HD12 H 1 -0.012 0.020 . 2 . . . . 43 LEU HD1 . 15361 1 500 . 1 1 43 43 LEU HD13 H 1 -0.012 0.020 . 2 . . . . 43 LEU HD1 . 15361 1 501 . 1 1 43 43 LEU HD21 H 1 0.392 0.020 . 2 . . . . 43 LEU HD2 . 15361 1 502 . 1 1 43 43 LEU HD22 H 1 0.392 0.020 . 2 . . . . 43 LEU HD2 . 15361 1 503 . 1 1 43 43 LEU HD23 H 1 0.392 0.020 . 2 . . . . 43 LEU HD2 . 15361 1 504 . 1 1 43 43 LEU HG H 1 0.800 0.020 . 1 . . . . 43 LEU HG . 15361 1 505 . 1 1 43 43 LEU C C 13 175.700 0.400 . 1 . . . . 43 LEU C . 15361 1 506 . 1 1 43 43 LEU CA C 13 53.106 0.400 . 1 . . . . 43 LEU CA . 15361 1 507 . 1 1 43 43 LEU CB C 13 45.606 0.400 . 1 . . . . 43 LEU CB . 15361 1 508 . 1 1 43 43 LEU CD1 C 13 25.279 0.400 . 1 . . . . 43 LEU CD1 . 15361 1 509 . 1 1 43 43 LEU CD2 C 13 22.682 0.400 . 1 . . . . 43 LEU CD2 . 15361 1 510 . 1 1 43 43 LEU CG C 13 26.763 0.400 . 1 . . . . 43 LEU CG . 15361 1 511 . 1 1 43 43 LEU N N 15 122.422 0.400 . 1 . . . . 43 LEU N . 15361 1 512 . 1 1 44 44 SER H H 1 7.876 0.020 . 1 . . . . 44 SER H . 15361 1 513 . 1 1 44 44 SER HA H 1 4.492 0.020 . 1 . . . . 44 SER HA . 15361 1 514 . 1 1 44 44 SER HB2 H 1 3.620 0.020 . 2 . . . . 44 SER HB2 . 15361 1 515 . 1 1 44 44 SER HB3 H 1 3.548 0.020 . 2 . . . . 44 SER HB3 . 15361 1 516 . 1 1 44 44 SER C C 13 171.000 0.400 . 1 . . . . 44 SER C . 15361 1 517 . 1 1 44 44 SER CA C 13 56.074 0.400 . 1 . . . . 44 SER CA . 15361 1 518 . 1 1 44 44 SER CB C 13 64.979 0.400 . 1 . . . . 44 SER CB . 15361 1 519 . 1 1 44 44 SER N N 15 115.713 0.400 . 1 . . . . 44 SER N . 15361 1 520 . 1 1 45 45 PHE H H 1 8.475 0.020 . 1 . . . . 45 PHE H . 15361 1 521 . 1 1 45 45 PHE HA H 1 5.612 0.020 . 1 . . . . 45 PHE HA . 15361 1 522 . 1 1 45 45 PHE HB2 H 1 2.762 0.020 . 2 . . . . 45 PHE HB2 . 15361 1 523 . 1 1 45 45 PHE HB3 H 1 2.666 0.020 . 2 . . . . 45 PHE HB3 . 15361 1 524 . 1 1 45 45 PHE HD1 H 1 6.805 0.020 . 1 . . . . 45 PHE HD1 . 15361 1 525 . 1 1 45 45 PHE HD2 H 1 6.805 0.020 . 1 . . . . 45 PHE HD2 . 15361 1 526 . 1 1 45 45 PHE HE1 H 1 6.758 0.020 . 1 . . . . 45 PHE HE1 . 15361 1 527 . 1 1 45 45 PHE HE2 H 1 6.758 0.020 . 1 . . . . 45 PHE HE2 . 15361 1 528 . 1 1 45 45 PHE C C 13 175.900 0.400 . 1 . . . . 45 PHE C . 15361 1 529 . 1 1 45 45 PHE CA C 13 56.074 0.400 . 1 . . . . 45 PHE CA . 15361 1 530 . 1 1 45 45 PHE CB C 13 41.604 0.400 . 1 . . . . 45 PHE CB . 15361 1 531 . 1 1 45 45 PHE N N 15 120.592 0.400 . 1 . . . . 45 PHE N . 15361 1 532 . 1 1 46 46 VAL H H 1 8.966 0.020 . 1 . . . . 46 VAL H . 15361 1 533 . 1 1 46 46 VAL HA H 1 4.150 0.020 . 1 . . . . 46 VAL HA . 15361 1 534 . 1 1 46 46 VAL HB H 1 1.579 0.020 . 1 . . . . 46 VAL HB . 15361 1 535 . 1 1 46 46 VAL HG11 H 1 0.685 0.020 . 2 . . . . 46 VAL HG1 . 15361 1 536 . 1 1 46 46 VAL HG12 H 1 0.685 0.020 . 2 . . . . 46 VAL HG1 . 15361 1 537 . 1 1 46 46 VAL HG13 H 1 0.685 0.020 . 2 . . . . 46 VAL HG1 . 15361 1 538 . 1 1 46 46 VAL HG21 H 1 0.677 0.020 . 2 . . . . 46 VAL HG2 . 15361 1 539 . 1 1 46 46 VAL HG22 H 1 0.677 0.020 . 2 . . . . 46 VAL HG2 . 15361 1 540 . 1 1 46 46 VAL HG23 H 1 0.677 0.020 . 2 . . . . 46 VAL HG2 . 15361 1 541 . 1 1 46 46 VAL C C 13 173.100 0.400 . 1 . . . . 46 VAL C . 15361 1 542 . 1 1 46 46 VAL CA C 13 60.898 0.400 . 1 . . . . 46 VAL CA . 15361 1 543 . 1 1 46 46 VAL CB C 13 35.297 0.400 . 1 . . . . 46 VAL CB . 15361 1 544 . 1 1 46 46 VAL CG1 C 13 20.454 0.400 . 1 . . . . 46 VAL CG1 . 15361 1 545 . 1 1 46 46 VAL CG2 C 13 20.455 0.400 . 1 . . . . 46 VAL CG2 . 15361 1 546 . 1 1 46 46 VAL N N 15 125.471 0.400 . 1 . . . . 46 VAL N . 15361 1 547 . 1 1 47 47 ARG H H 1 8.443 0.020 . 1 . . . . 47 ARG H . 15361 1 548 . 1 1 47 47 ARG HA H 1 3.299 0.020 . 1 . . . . 47 ARG HA . 15361 1 549 . 1 1 47 47 ARG HB2 H 1 1.413 0.020 . 2 . . . . 47 ARG HB2 . 15361 1 550 . 1 1 47 47 ARG HB3 H 1 1.251 0.020 . 2 . . . . 47 ARG HB3 . 15361 1 551 . 1 1 47 47 ARG HD2 H 1 3.007 0.020 . 2 . . . . 47 ARG HD2 . 15361 1 552 . 1 1 47 47 ARG HD3 H 1 2.911 0.020 . 2 . . . . 47 ARG HD3 . 15361 1 553 . 1 1 47 47 ARG HG2 H 1 1.032 0.020 . 2 . . . . 47 ARG HG2 . 15361 1 554 . 1 1 47 47 ARG HG3 H 1 0.940 0.020 . 2 . . . . 47 ARG HG3 . 15361 1 555 . 1 1 47 47 ARG C C 13 176.400 0.400 . 1 . . . . 47 ARG C . 15361 1 556 . 1 1 47 47 ARG CA C 13 55.332 0.400 . 1 . . . . 47 ARG CA . 15361 1 557 . 1 1 47 47 ARG CB C 13 30.102 0.400 . 1 . . . . 47 ARG CB . 15361 1 558 . 1 1 47 47 ARG CD C 13 43.486 0.400 . 1 . . . . 47 ARG CD . 15361 1 559 . 1 1 47 47 ARG CG C 13 27.134 0.400 . 1 . . . . 47 ARG CG . 15361 1 560 . 1 1 47 47 ARG N N 15 129.740 0.400 . 1 . . . . 47 ARG N . 15361 1 561 . 1 1 48 48 ILE H H 1 8.313 0.020 . 1 . . . . 48 ILE H . 15361 1 562 . 1 1 48 48 ILE HA H 1 4.679 0.020 . 1 . . . . 48 ILE HA . 15361 1 563 . 1 1 48 48 ILE HB H 1 1.984 0.020 . 1 . . . . 48 ILE HB . 15361 1 564 . 1 1 48 48 ILE HD11 H 1 0.621 0.020 . 1 . . . . 48 ILE HD1 . 15361 1 565 . 1 1 48 48 ILE HD12 H 1 0.621 0.020 . 1 . . . . 48 ILE HD1 . 15361 1 566 . 1 1 48 48 ILE HD13 H 1 0.621 0.020 . 1 . . . . 48 ILE HD1 . 15361 1 567 . 1 1 48 48 ILE HG12 H 1 1.018 0.020 . 2 . . . . 48 ILE HG12 . 15361 1 568 . 1 1 48 48 ILE HG13 H 1 0.802 0.020 . 2 . . . . 48 ILE HG13 . 15361 1 569 . 1 1 48 48 ILE HG21 H 1 0.758 0.020 . 1 . . . . 48 ILE HG2 . 15361 1 570 . 1 1 48 48 ILE HG22 H 1 0.758 0.020 . 1 . . . . 48 ILE HG2 . 15361 1 571 . 1 1 48 48 ILE HG23 H 1 0.758 0.020 . 1 . . . . 48 ILE HG2 . 15361 1 572 . 1 1 48 48 ILE C C 13 175.300 0.400 . 1 . . . . 48 ILE C . 15361 1 573 . 1 1 48 48 ILE CA C 13 59.179 0.400 . 1 . . . . 48 ILE CA . 15361 1 574 . 1 1 48 48 ILE CB C 13 40.491 0.400 . 1 . . . . 48 ILE CB . 15361 1 575 . 1 1 48 48 ILE CD1 C 13 13.033 0.400 . 1 . . . . 48 ILE CD1 . 15361 1 576 . 1 1 48 48 ILE CG1 C 13 25.650 0.400 . 1 . . . . 48 ILE CG1 . 15361 1 577 . 1 1 48 48 ILE CG2 C 13 16.745 0.400 . 1 . . . . 48 ILE CG2 . 15361 1 578 . 1 1 48 48 ILE N N 15 120.920 0.400 . 1 . . . . 48 ILE N . 15361 1 579 . 1 1 49 49 ASN H H 1 8.647 0.020 . 1 . . . . 49 ASN H . 15361 1 580 . 1 1 49 49 ASN HA H 1 4.803 0.020 . 1 . . . . 49 ASN HA . 15361 1 581 . 1 1 49 49 ASN HB2 H 1 2.824 0.020 . 2 . . . . 49 ASN HB2 . 15361 1 582 . 1 1 49 49 ASN HB3 H 1 2.606 0.020 . 2 . . . . 49 ASN HB3 . 15361 1 583 . 1 1 49 49 ASN HD21 H 1 6.790 0.020 . 2 . . . . 49 ASN HD21 . 15361 1 584 . 1 1 49 49 ASN HD22 H 1 7.491 0.020 . 2 . . . . 49 ASN HD22 . 15361 1 585 . 1 1 49 49 ASN CA C 13 53.106 0.400 . 1 . . . . 49 ASN CA . 15361 1 586 . 1 1 49 49 ASN CB C 13 40.120 0.400 . 1 . . . . 49 ASN CB . 15361 1 587 . 1 1 49 49 ASN ND2 N 15 112.700 0.400 . 1 . . . . 49 ASN ND2 . 15361 1 588 . 1 1 50 50 SER H H 1 7.465 0.020 . 1 . . . . 50 SER H . 15361 1 589 . 1 1 50 50 SER HA H 1 4.263 0.020 . 1 . . . . 50 SER HA . 15361 1 590 . 1 1 50 50 SER HB2 H 1 3.687 0.020 . 2 . . . . 50 SER HB2 . 15361 1 591 . 1 1 50 50 SER HB3 H 1 3.687 0.020 . 2 . . . . 50 SER HB3 . 15361 1 592 . 1 1 50 50 SER C C 13 172.500 0.400 . 1 . . . . 50 SER C . 15361 1 593 . 1 1 50 50 SER CA C 13 57.017 0.400 . 1 . . . . 50 SER CA . 15361 1 594 . 1 1 50 50 SER CB C 13 64.608 0.400 . 1 . . . . 50 SER CB . 15361 1 595 . 1 1 50 50 SER N N 15 112.054 0.400 . 1 . . . . 50 SER N . 15361 1 596 . 1 1 51 51 GLY H H 1 8.439 0.020 . 1 . . . . 51 GLY H . 15361 1 597 . 1 1 51 51 GLY HA2 H 1 3.688 0.020 . 2 . . . . 51 GLY HA2 . 15361 1 598 . 1 1 51 51 GLY HA3 H 1 4.007 0.020 . 2 . . . . 51 GLY HA3 . 15361 1 599 . 1 1 51 51 GLY C C 13 172.600 0.400 . 1 . . . . 51 GLY C . 15361 1 600 . 1 1 51 51 GLY CA C 13 44.201 0.400 . 1 . . . . 51 GLY CA . 15361 1 601 . 1 1 51 51 GLY N N 15 108.090 0.400 . 1 . . . . 51 GLY N . 15361 1 602 . 1 1 52 52 GLU H H 1 8.291 0.020 . 1 . . . . 52 GLU H . 15361 1 603 . 1 1 52 52 GLU HA H 1 4.337 0.020 . 1 . . . . 52 GLU HA . 15361 1 604 . 1 1 52 52 GLU HB2 H 1 1.834 0.020 . 2 . . . . 52 GLU HB2 . 15361 1 605 . 1 1 52 52 GLU HB3 H 1 1.792 0.020 . 2 . . . . 52 GLU HB3 . 15361 1 606 . 1 1 52 52 GLU HG2 H 1 2.121 0.020 . 2 . . . . 52 GLU HG2 . 15361 1 607 . 1 1 52 52 GLU HG3 H 1 2.121 0.020 . 2 . . . . 52 GLU HG3 . 15361 1 608 . 1 1 52 52 GLU C C 13 175.300 0.400 . 1 . . . . 52 GLU C . 15361 1 609 . 1 1 52 52 GLU CA C 13 55.703 0.400 . 1 . . . . 52 GLU CA . 15361 1 610 . 1 1 52 52 GLU CB C 13 29.233 0.400 . 1 . . . . 52 GLU CB . 15361 1 611 . 1 1 52 52 GLU CG C 13 35.668 0.400 . 1 . . . . 52 GLU CG . 15361 1 612 . 1 1 52 52 GLU N N 15 119.900 0.400 . 1 . . . . 52 GLU N . 15361 1 613 . 1 1 53 53 ALA H H 1 7.946 0.020 . 1 . . . . 53 ALA H . 15361 1 614 . 1 1 53 53 ALA HA H 1 4.372 0.020 . 1 . . . . 53 ALA HA . 15361 1 615 . 1 1 53 53 ALA HB1 H 1 0.922 0.020 . 1 . . . . 53 ALA HB . 15361 1 616 . 1 1 53 53 ALA HB2 H 1 0.922 0.020 . 1 . . . . 53 ALA HB . 15361 1 617 . 1 1 53 53 ALA HB3 H 1 0.922 0.020 . 1 . . . . 53 ALA HB . 15361 1 618 . 1 1 53 53 ALA C C 13 175.900 0.400 . 1 . . . . 53 ALA C . 15361 1 619 . 1 1 53 53 ALA CA C 13 49.396 0.400 . 1 . . . . 53 ALA CA . 15361 1 620 . 1 1 53 53 ALA CB C 13 21.100 0.400 . 1 . . . . 53 ALA CB . 15361 1 621 . 1 1 53 53 ALA N N 15 131.875 0.400 . 1 . . . . 53 ALA N . 15361 1 622 . 1 1 54 54 ASP H H 1 8.347 0.020 . 1 . . . . 54 ASP H . 15361 1 623 . 1 1 54 54 ASP HA H 1 4.329 0.020 . 1 . . . . 54 ASP HA . 15361 1 624 . 1 1 54 54 ASP HB2 H 1 2.755 0.020 . 2 . . . . 54 ASP HB2 . 15361 1 625 . 1 1 54 54 ASP HB3 H 1 2.260 0.020 . 2 . . . . 54 ASP HB3 . 15361 1 626 . 1 1 54 54 ASP C C 13 176.900 0.400 . 1 . . . . 54 ASP C . 15361 1 627 . 1 1 54 54 ASP CA C 13 58.672 0.400 . 1 . . . . 54 ASP CA . 15361 1 628 . 1 1 54 54 ASP CB C 13 41.233 0.400 . 1 . . . . 54 ASP CB . 15361 1 629 . 1 1 54 54 ASP N N 15 121.202 0.400 . 1 . . . . 54 ASP N . 15361 1 630 . 1 1 55 55 ILE H H 1 8.765 0.020 . 1 . . . . 55 ILE H . 15361 1 631 . 1 1 55 55 ILE HA H 1 4.093 0.020 . 1 . . . . 55 ILE HA . 15361 1 632 . 1 1 55 55 ILE HB H 1 1.769 0.020 . 1 . . . . 55 ILE HB . 15361 1 633 . 1 1 55 55 ILE HD11 H 1 0.476 0.020 . 1 . . . . 55 ILE HD1 . 15361 1 634 . 1 1 55 55 ILE HD12 H 1 0.476 0.020 . 1 . . . . 55 ILE HD1 . 15361 1 635 . 1 1 55 55 ILE HD13 H 1 0.476 0.020 . 1 . . . . 55 ILE HD1 . 15361 1 636 . 1 1 55 55 ILE HG12 H 1 1.273 0.020 . 2 . . . . 55 ILE HG12 . 15361 1 637 . 1 1 55 55 ILE HG13 H 1 1.143 0.020 . 2 . . . . 55 ILE HG13 . 15361 1 638 . 1 1 55 55 ILE HG21 H 1 0.852 0.020 . 1 . . . . 55 ILE HG2 . 15361 1 639 . 1 1 55 55 ILE HG22 H 1 0.852 0.020 . 1 . . . . 55 ILE HG2 . 15361 1 640 . 1 1 55 55 ILE HG23 H 1 0.852 0.020 . 1 . . . . 55 ILE HG2 . 15361 1 641 . 1 1 55 55 ILE C C 13 174.300 0.400 . 1 . . . . 55 ILE C . 15361 1 642 . 1 1 55 55 ILE CA C 13 60.527 0.400 . 1 . . . . 55 ILE CA . 15361 1 643 . 1 1 55 55 ILE CB C 13 38.265 0.400 . 1 . . . . 55 ILE CB . 15361 1 644 . 1 1 55 55 ILE CD1 C 13 12.864 0.400 . 1 . . . . 55 ILE CD1 . 15361 1 645 . 1 1 55 55 ILE CG1 C 13 26.092 0.400 . 1 . . . . 55 ILE CG1 . 15361 1 646 . 1 1 55 55 ILE CG2 C 13 14.419 0.400 . 1 . . . . 55 ILE CG2 . 15361 1 647 . 1 1 55 55 ILE N N 15 123.946 0.400 . 1 . . . . 55 ILE N . 15361 1 648 . 1 1 56 56 MET H H 1 7.191 0.020 . 1 . . . . 56 MET H . 15361 1 649 . 1 1 56 56 MET HA H 1 5.154 0.020 . 1 . . . . 56 MET HA . 15361 1 650 . 1 1 56 56 MET HB2 H 1 2.055 0.020 . 2 . . . . 56 MET HB2 . 15361 1 651 . 1 1 56 56 MET HB3 H 1 1.955 0.020 . 2 . . . . 56 MET HB3 . 15361 1 652 . 1 1 56 56 MET HE1 H 1 2.116 0.020 . 1 . . . . 56 MET HE . 15361 1 653 . 1 1 56 56 MET HE2 H 1 2.116 0.020 . 1 . . . . 56 MET HE . 15361 1 654 . 1 1 56 56 MET HE3 H 1 2.116 0.020 . 1 . . . . 56 MET HE . 15361 1 655 . 1 1 56 56 MET HG2 H 1 2.776 0.020 . 2 . . . . 56 MET HG2 . 15361 1 656 . 1 1 56 56 MET HG3 H 1 2.634 0.020 . 2 . . . . 56 MET HG3 . 15361 1 657 . 1 1 56 56 MET C C 13 176.600 0.400 . 1 . . . . 56 MET C . 15361 1 658 . 1 1 56 56 MET CA C 13 52.735 0.400 . 1 . . . . 56 MET CA . 15361 1 659 . 1 1 56 56 MET CB C 13 30.473 0.400 . 1 . . . . 56 MET CB . 15361 1 660 . 1 1 56 56 MET CE C 13 16.374 0.400 . 1 . . . . 56 MET CE . 15361 1 661 . 1 1 56 56 MET CG C 13 31.586 0.400 . 1 . . . . 56 MET CG . 15361 1 662 . 1 1 56 56 MET N N 15 125.166 0.400 . 1 . . . . 56 MET N . 15361 1 663 . 1 1 57 57 ILE H H 1 9.052 0.020 . 1 . . . . 57 ILE H . 15361 1 664 . 1 1 57 57 ILE HA H 1 5.210 0.020 . 1 . . . . 57 ILE HA . 15361 1 665 . 1 1 57 57 ILE HB H 1 1.793 0.020 . 1 . . . . 57 ILE HB . 15361 1 666 . 1 1 57 57 ILE HD11 H 1 0.872 0.020 . 1 . . . . 57 ILE HD1 . 15361 1 667 . 1 1 57 57 ILE HD12 H 1 0.872 0.020 . 1 . . . . 57 ILE HD1 . 15361 1 668 . 1 1 57 57 ILE HD13 H 1 0.872 0.020 . 1 . . . . 57 ILE HD1 . 15361 1 669 . 1 1 57 57 ILE HG12 H 1 1.815 0.020 . 2 . . . . 57 ILE HG12 . 15361 1 670 . 1 1 57 57 ILE HG13 H 1 0.962 0.020 . 2 . . . . 57 ILE HG13 . 15361 1 671 . 1 1 57 57 ILE HG21 H 1 0.818 0.020 . 1 . . . . 57 ILE HG2 . 15361 1 672 . 1 1 57 57 ILE HG22 H 1 0.818 0.020 . 1 . . . . 57 ILE HG2 . 15361 1 673 . 1 1 57 57 ILE HG23 H 1 0.818 0.020 . 1 . . . . 57 ILE HG2 . 15361 1 674 . 1 1 57 57 ILE C C 13 174.300 0.400 . 1 . . . . 57 ILE C . 15361 1 675 . 1 1 57 57 ILE CA C 13 59.785 0.400 . 1 . . . . 57 ILE CA . 15361 1 676 . 1 1 57 57 ILE CB C 13 40.120 0.400 . 1 . . . . 57 ILE CB . 15361 1 677 . 1 1 57 57 ILE CD1 C 13 17.116 0.400 . 1 . . . . 57 ILE CD1 . 15361 1 678 . 1 1 57 57 ILE CG1 C 13 28.514 0.400 . 1 . . . . 57 ILE CG1 . 15361 1 679 . 1 1 57 57 ILE CG2 C 13 18.600 0.400 . 1 . . . . 57 ILE CG2 . 15361 1 680 . 1 1 57 57 ILE N N 15 125.941 0.400 . 1 . . . . 57 ILE N . 15361 1 681 . 1 1 58 58 SER H H 1 8.613 0.020 . 1 . . . . 58 SER H . 15361 1 682 . 1 1 58 58 SER HA H 1 5.010 0.020 . 1 . . . . 58 SER HA . 15361 1 683 . 1 1 58 58 SER HB2 H 1 3.976 0.020 . 2 . . . . 58 SER HB2 . 15361 1 684 . 1 1 58 58 SER HB3 H 1 3.583 0.020 . 2 . . . . 58 SER HB3 . 15361 1 685 . 1 1 58 58 SER C C 13 172.200 0.400 . 1 . . . . 58 SER C . 15361 1 686 . 1 1 58 58 SER CA C 13 56.445 0.400 . 1 . . . . 58 SER CA . 15361 1 687 . 1 1 58 58 SER CB C 13 64.237 0.400 . 1 . . . . 58 SER CB . 15361 1 688 . 1 1 58 58 SER N N 15 115.713 0.400 . 1 . . . . 58 SER N . 15361 1 689 . 1 1 59 59 PHE H H 1 7.108 0.020 . 1 . . . . 59 PHE H . 15361 1 690 . 1 1 59 59 PHE HA H 1 5.121 0.020 . 1 . . . . 59 PHE HA . 15361 1 691 . 1 1 59 59 PHE HB2 H 1 2.557 0.020 . 2 . . . . 59 PHE HB2 . 15361 1 692 . 1 1 59 59 PHE HB3 H 1 2.557 0.020 . 2 . . . . 59 PHE HB3 . 15361 1 693 . 1 1 59 59 PHE HD1 H 1 6.835 0.020 . 1 . . . . 59 PHE HD1 . 15361 1 694 . 1 1 59 59 PHE HD2 H 1 6.835 0.020 . 1 . . . . 59 PHE HD2 . 15361 1 695 . 1 1 59 59 PHE HE1 H 1 7.059 0.020 . 1 . . . . 59 PHE HE1 . 15361 1 696 . 1 1 59 59 PHE HE2 H 1 7.059 0.020 . 1 . . . . 59 PHE HE2 . 15361 1 697 . 1 1 59 59 PHE C C 13 175.300 0.400 . 1 . . . . 59 PHE C . 15361 1 698 . 1 1 59 59 PHE CA C 13 56.074 0.400 . 1 . . . . 59 PHE CA . 15361 1 699 . 1 1 59 59 PHE CB C 13 38.636 0.400 . 1 . . . . 59 PHE CB . 15361 1 700 . 1 1 59 59 PHE N N 15 121.812 0.400 . 1 . . . . 59 PHE N . 15361 1 701 . 1 1 60 60 GLU H H 1 8.881 0.020 . 1 . . . . 60 GLU H . 15361 1 702 . 1 1 60 60 GLU HA H 1 4.805 0.020 . 1 . . . . 60 GLU HA . 15361 1 703 . 1 1 60 60 GLU HB2 H 1 1.436 0.020 . 2 . . . . 60 GLU HB2 . 15361 1 704 . 1 1 60 60 GLU HB3 H 1 0.636 0.020 . 2 . . . . 60 GLU HB3 . 15361 1 705 . 1 1 60 60 GLU HG2 H 1 1.642 0.020 . 2 . . . . 60 GLU HG2 . 15361 1 706 . 1 1 60 60 GLU HG3 H 1 1.157 0.020 . 2 . . . . 60 GLU HG3 . 15361 1 707 . 1 1 60 60 GLU C C 13 174.600 0.400 . 1 . . . . 60 GLU C . 15361 1 708 . 1 1 60 60 GLU CA C 13 53.106 0.400 . 1 . . . . 60 GLU CA . 15361 1 709 . 1 1 60 60 GLU CB C 13 32.301 0.400 . 1 . . . . 60 GLU CB . 15361 1 710 . 1 1 60 60 GLU CG C 13 32.812 0.400 . 1 . . . . 60 GLU CG . 15361 1 711 . 1 1 60 60 GLU N N 15 119.982 0.400 . 1 . . . . 60 GLU N . 15361 1 712 . 1 1 61 61 ASN H H 1 9.457 0.020 . 1 . . . . 61 ASN H . 15361 1 713 . 1 1 61 61 ASN HA H 1 5.218 0.020 . 1 . . . . 61 ASN HA . 15361 1 714 . 1 1 61 61 ASN HB2 H 1 2.697 0.020 . 1 . . . . 61 ASN HB2 . 15361 1 715 . 1 1 61 61 ASN HB3 H 1 2.591 0.020 . 1 . . . . 61 ASN HB3 . 15361 1 716 . 1 1 61 61 ASN HD21 H 1 7.760 0.020 . 2 . . . . 61 ASN HD21 . 15361 1 717 . 1 1 61 61 ASN HD22 H 1 7.081 0.020 . 2 . . . . 61 ASN HD22 . 15361 1 718 . 1 1 61 61 ASN C C 13 175.500 0.400 . 1 . . . . 61 ASN C . 15361 1 719 . 1 1 61 61 ASN CA C 13 51.993 0.400 . 1 . . . . 61 ASN CA . 15361 1 720 . 1 1 61 61 ASN CB C 13 41.604 0.400 . 1 . . . . 61 ASN CB . 15361 1 721 . 1 1 61 61 ASN N N 15 120.287 0.400 . 1 . . . . 61 ASN N . 15361 1 722 . 1 1 61 61 ASN ND2 N 15 114.500 0.400 . 1 . . . . 61 ASN ND2 . 15361 1 723 . 1 1 62 62 GLY H H 1 9.151 0.020 . 1 . . . . 62 GLY H . 15361 1 724 . 1 1 62 62 GLY HA2 H 1 3.823 0.020 . 2 . . . . 62 GLY HA2 . 15361 1 725 . 1 1 62 62 GLY HA3 H 1 3.736 0.020 . 2 . . . . 62 GLY HA3 . 15361 1 726 . 1 1 62 62 GLY C C 13 175.700 0.400 . 1 . . . . 62 GLY C . 15361 1 727 . 1 1 62 62 GLY CA C 13 46.799 0.400 . 1 . . . . 62 GLY CA . 15361 1 728 . 1 1 62 62 GLY N N 15 108.699 0.400 . 1 . . . . 62 GLY N . 15361 1 729 . 1 1 63 63 ASP H H 1 9.246 0.020 . 1 . . . . 63 ASP H . 15361 1 730 . 1 1 63 63 ASP HA H 1 4.454 0.020 . 1 . . . . 63 ASP HA . 15361 1 731 . 1 1 63 63 ASP HB2 H 1 3.062 0.020 . 1 . . . . 63 ASP HB2 . 15361 1 732 . 1 1 63 63 ASP HB3 H 1 2.552 0.020 . 1 . . . . 63 ASP HB3 . 15361 1 733 . 1 1 63 63 ASP C C 13 174.900 0.400 . 1 . . . . 63 ASP C . 15361 1 734 . 1 1 63 63 ASP CA C 13 54.590 0.400 . 1 . . . . 63 ASP CA . 15361 1 735 . 1 1 63 63 ASP CB C 13 39.920 0.400 . 1 . . . . 63 ASP CB . 15361 1 736 . 1 1 63 63 ASP N N 15 130.960 0.400 . 1 . . . . 63 ASP N . 15361 1 737 . 1 1 64 64 HIS H H 1 8.934 0.020 . 1 . . . . 64 HIS H . 15361 1 738 . 1 1 64 64 HIS HA H 1 5.085 0.020 . 1 . . . . 64 HIS HA . 15361 1 739 . 1 1 64 64 HIS HB2 H 1 3.426 0.020 . 1 . . . . 64 HIS HB2 . 15361 1 740 . 1 1 64 64 HIS HB3 H 1 2.715 0.020 . 1 . . . . 64 HIS HB3 . 15361 1 741 . 1 1 64 64 HIS HD1 H 1 11.940 0.020 . 1 . . . . 64 HIS HD1 . 15361 1 742 . 1 1 64 64 HIS HD2 H 1 6.285 0.020 . 1 . . . . 64 HIS HD2 . 15361 1 743 . 1 1 64 64 HIS HE1 H 1 7.229 0.020 . 1 . . . . 64 HIS HE1 . 15361 1 744 . 1 1 64 64 HIS C C 13 174.900 0.400 . 1 . . . . 64 HIS C . 15361 1 745 . 1 1 64 64 HIS CA C 13 54.219 0.400 . 1 . . . . 64 HIS CA . 15361 1 746 . 1 1 64 64 HIS CB C 13 27.876 0.400 . 1 . . . . 64 HIS CB . 15361 1 747 . 1 1 64 64 HIS N N 15 123.031 0.400 . 1 . . . . 64 HIS N . 15361 1 748 . 1 1 64 64 HIS ND1 N 15 172.500 0.400 . 1 . . . . 64 HIS ND1 . 15361 1 749 . 1 1 64 64 HIS NE2 N 15 206.500 0.400 . 1 . . . . 64 HIS NE2 . 15361 1 750 . 1 1 65 65 GLY H H 1 7.805 0.020 . 1 . . . . 65 GLY H . 15361 1 751 . 1 1 65 65 GLY HA2 H 1 3.628 0.020 . 2 . . . . 65 GLY HA2 . 15361 1 752 . 1 1 65 65 GLY HA3 H 1 4.113 0.020 . 2 . . . . 65 GLY HA3 . 15361 1 753 . 1 1 65 65 GLY C C 13 173.900 0.400 . 1 . . . . 65 GLY C . 15361 1 754 . 1 1 65 65 GLY CA C 13 46.057 0.400 . 1 . . . . 65 GLY CA . 15361 1 755 . 1 1 65 65 GLY N N 15 107.785 0.400 . 1 . . . . 65 GLY N . 15361 1 756 . 1 1 66 66 ASP H H 1 6.937 0.020 . 1 . . . . 66 ASP H . 15361 1 757 . 1 1 66 66 ASP HA H 1 4.786 0.020 . 1 . . . . 66 ASP HA . 15361 1 758 . 1 1 66 66 ASP HB2 H 1 3.297 0.020 . 2 . . . . 66 ASP HB2 . 15361 1 759 . 1 1 66 66 ASP HB3 H 1 2.711 0.020 . 2 . . . . 66 ASP HB3 . 15361 1 760 . 1 1 66 66 ASP C C 13 176.100 0.400 . 1 . . . . 66 ASP C . 15361 1 761 . 1 1 66 66 ASP CA C 13 51.612 0.400 . 1 . . . . 66 ASP CA . 15361 1 762 . 1 1 66 66 ASP CB C 13 40.825 0.400 . 1 . . . . 66 ASP CB . 15361 1 763 . 1 1 66 66 ASP N N 15 116.628 0.400 . 1 . . . . 66 ASP N . 15361 1 764 . 1 1 67 67 SER H H 1 8.007 0.020 . 1 . . . . 67 SER H . 15361 1 765 . 1 1 67 67 SER HA H 1 3.946 0.020 . 1 . . . . 67 SER HA . 15361 1 766 . 1 1 67 67 SER HB2 H 1 3.460 0.020 . 2 . . . . 67 SER HB2 . 15361 1 767 . 1 1 67 67 SER HB3 H 1 3.253 0.020 . 2 . . . . 67 SER HB3 . 15361 1 768 . 1 1 67 67 SER C C 13 171.900 0.400 . 1 . . . . 67 SER C . 15361 1 769 . 1 1 67 67 SER CA C 13 59.043 0.400 . 1 . . . . 67 SER CA . 15361 1 770 . 1 1 67 67 SER CB C 13 62.382 0.400 . 1 . . . . 67 SER CB . 15361 1 771 . 1 1 67 67 SER N N 15 111.139 0.400 . 1 . . . . 67 SER N . 15361 1 772 . 1 1 68 68 TYR H H 1 7.419 0.020 . 1 . . . . 68 TYR H . 15361 1 773 . 1 1 68 68 TYR HA H 1 4.634 0.020 . 1 . . . . 68 TYR HA . 15361 1 774 . 1 1 68 68 TYR HB2 H 1 2.318 0.020 . 2 . . . . 68 TYR HB2 . 15361 1 775 . 1 1 68 68 TYR HB3 H 1 1.694 0.020 . 2 . . . . 68 TYR HB3 . 15361 1 776 . 1 1 68 68 TYR HD1 H 1 6.523 0.020 . 1 . . . . 68 TYR HD1 . 15361 1 777 . 1 1 68 68 TYR HD2 H 1 6.523 0.020 . 1 . . . . 68 TYR HD2 . 15361 1 778 . 1 1 68 68 TYR HE1 H 1 6.572 0.020 . 1 . . . . 68 TYR HE1 . 15361 1 779 . 1 1 68 68 TYR HE2 H 1 6.572 0.020 . 1 . . . . 68 TYR HE2 . 15361 1 780 . 1 1 68 68 TYR C C 13 179.500 0.400 . 1 . . . . 68 TYR C . 15361 1 781 . 1 1 68 68 TYR CA C 13 54.219 0.400 . 1 . . . . 68 TYR CA . 15361 1 782 . 1 1 68 68 TYR CB C 13 38.303 0.400 . 1 . . . . 68 TYR CB . 15361 1 783 . 1 1 68 68 TYR N N 15 119.677 0.400 . 1 . . . . 68 TYR N . 15361 1 784 . 1 1 69 69 PRO HA H 1 4.353 0.020 . 1 . . . . 69 PRO HA . 15361 1 785 . 1 1 69 69 PRO HB2 H 1 1.767 0.020 . 2 . . . . 69 PRO HB2 . 15361 1 786 . 1 1 69 69 PRO HB3 H 1 1.767 0.020 . 2 . . . . 69 PRO HB3 . 15361 1 787 . 1 1 69 69 PRO HD2 H 1 3.426 0.020 . 2 . . . . 69 PRO HD2 . 15361 1 788 . 1 1 69 69 PRO HD3 H 1 3.126 0.020 . 2 . . . . 69 PRO HD3 . 15361 1 789 . 1 1 69 69 PRO HG2 H 1 1.910 0.020 . 2 . . . . 69 PRO HG2 . 15361 1 790 . 1 1 69 69 PRO HG3 H 1 1.910 0.020 . 2 . . . . 69 PRO HG3 . 15361 1 791 . 1 1 69 69 PRO CA C 13 63.003 0.400 . 1 . . . . 69 PRO CA . 15361 1 792 . 1 1 69 69 PRO CB C 13 31.586 0.400 . 1 . . . . 69 PRO CB . 15361 1 793 . 1 1 69 69 PRO CD C 13 49.025 0.400 . 1 . . . . 69 PRO CD . 15361 1 794 . 1 1 69 69 PRO CG C 13 27.224 0.400 . 1 . . . . 69 PRO CG . 15361 1 795 . 1 1 70 70 PHE H H 1 7.980 0.020 . 1 . . . . 70 PHE H . 15361 1 796 . 1 1 70 70 PHE HA H 1 4.810 0.020 . 1 . . . . 70 PHE HA . 15361 1 797 . 1 1 70 70 PHE HB2 H 1 3.889 0.020 . 2 . . . . 70 PHE HB2 . 15361 1 798 . 1 1 70 70 PHE HB3 H 1 2.876 0.020 . 2 . . . . 70 PHE HB3 . 15361 1 799 . 1 1 70 70 PHE HD1 H 1 6.804 0.020 . 1 . . . . 70 PHE HD1 . 15361 1 800 . 1 1 70 70 PHE HD2 H 1 6.804 0.020 . 1 . . . . 70 PHE HD2 . 15361 1 801 . 1 1 70 70 PHE HE1 H 1 0.839 0.020 . 1 . . . . 70 PHE HE1 . 15361 1 802 . 1 1 70 70 PHE HE2 H 1 0.839 0.020 . 1 . . . . 70 PHE HE2 . 15361 1 803 . 1 1 70 70 PHE C C 13 176.000 0.400 . 1 . . . . 70 PHE C . 15361 1 804 . 1 1 70 70 PHE CA C 13 57.522 0.400 . 1 . . . . 70 PHE CA . 15361 1 805 . 1 1 70 70 PHE CB C 13 39.007 0.400 . 1 . . . . 70 PHE CB . 15361 1 806 . 1 1 70 70 PHE N N 15 120.592 0.400 . 1 . . . . 70 PHE N . 15361 1 807 . 1 1 71 71 ASP H H 1 8.090 0.020 . 1 . . . . 71 ASP H . 15361 1 808 . 1 1 71 71 ASP HA H 1 4.656 0.020 . 1 . . . . 71 ASP HA . 15361 1 809 . 1 1 71 71 ASP HB2 H 1 3.032 0.020 . 1 . . . . 71 ASP HB2 . 15361 1 810 . 1 1 71 71 ASP HB3 H 1 2.606 0.020 . 1 . . . . 71 ASP HB3 . 15361 1 811 . 1 1 71 71 ASP C C 13 176.800 0.400 . 1 . . . . 71 ASP C . 15361 1 812 . 1 1 71 71 ASP CA C 13 53.241 0.400 . 1 . . . . 71 ASP CA . 15361 1 813 . 1 1 71 71 ASP CB C 13 41.100 0.400 . 1 . . . . 71 ASP CB . 15361 1 814 . 1 1 71 71 ASP N N 15 116.018 0.400 . 1 . . . . 71 ASP N . 15361 1 815 . 1 1 72 72 GLY H H 1 8.051 0.020 . 1 . . . . 72 GLY H . 15361 1 816 . 1 1 72 72 GLY HA2 H 1 3.564 0.020 . 2 . . . . 72 GLY HA2 . 15361 1 817 . 1 1 72 72 GLY HA3 H 1 4.417 0.020 . 2 . . . . 72 GLY HA3 . 15361 1 818 . 1 1 72 72 GLY C C 13 169.600 0.400 . 1 . . . . 72 GLY C . 15361 1 819 . 1 1 72 72 GLY CA C 13 44.201 0.400 . 1 . . . . 72 GLY CA . 15361 1 820 . 1 1 72 72 GLY N N 15 108.699 0.400 . 1 . . . . 72 GLY N . 15361 1 821 . 1 1 73 73 PRO HA H 1 3.836 0.020 . 1 . . . . 73 PRO HA . 15361 1 822 . 1 1 73 73 PRO HB2 H 1 2.183 0.020 . 1 . . . . 73 PRO HB2 . 15361 1 823 . 1 1 73 73 PRO HB3 H 1 1.673 0.020 . 1 . . . . 73 PRO HB3 . 15361 1 824 . 1 1 73 73 PRO HD2 H 1 3.527 0.020 . 2 . . . . 73 PRO HD2 . 15361 1 825 . 1 1 73 73 PRO HD3 H 1 3.527 0.020 . 2 . . . . 73 PRO HD3 . 15361 1 826 . 1 1 73 73 PRO HG2 H 1 2.031 0.020 . 2 . . . . 73 PRO HG2 . 15361 1 827 . 1 1 73 73 PRO HG3 H 1 1.876 0.020 . 2 . . . . 73 PRO HG3 . 15361 1 828 . 1 1 73 73 PRO CA C 13 63.866 0.400 . 1 . . . . 73 PRO CA . 15361 1 829 . 1 1 73 73 PRO CB C 13 31.586 0.400 . 1 . . . . 73 PRO CB . 15361 1 830 . 1 1 73 73 PRO CD C 13 49.025 0.400 . 1 . . . . 73 PRO CD . 15361 1 831 . 1 1 73 73 PRO CG C 13 27.220 0.400 . 1 . . . . 73 PRO CG . 15361 1 832 . 1 1 74 74 ARG H H 1 11.766 0.020 . 1 . . . . 74 ARG H . 15361 1 833 . 1 1 74 74 ARG HA H 1 3.143 0.020 . 1 . . . . 74 ARG HA . 15361 1 834 . 1 1 74 74 ARG HB2 H 1 2.138 0.020 . 2 . . . . 74 ARG HB2 . 15361 1 835 . 1 1 74 74 ARG HB3 H 1 1.913 0.020 . 2 . . . . 74 ARG HB3 . 15361 1 836 . 1 1 74 74 ARG HD2 H 1 3.175 0.020 . 2 . . . . 74 ARG HD2 . 15361 1 837 . 1 1 74 74 ARG HD3 H 1 3.175 0.020 . 2 . . . . 74 ARG HD3 . 15361 1 838 . 1 1 74 74 ARG HG2 H 1 1.523 0.020 . 2 . . . . 74 ARG HG2 . 15361 1 839 . 1 1 74 74 ARG HG3 H 1 1.454 0.020 . 2 . . . . 74 ARG HG3 . 15361 1 840 . 1 1 74 74 ARG C C 13 175.100 0.400 . 1 . . . . 74 ARG C . 15361 1 841 . 1 1 74 74 ARG CA C 13 56.445 0.400 . 1 . . . . 74 ARG CA . 15361 1 842 . 1 1 74 74 ARG CB C 13 26.392 0.400 . 1 . . . . 74 ARG CB . 15361 1 843 . 1 1 74 74 ARG CD C 13 42.717 0.400 . 1 . . . . 74 ARG CD . 15361 1 844 . 1 1 74 74 ARG CG C 13 28.247 0.400 . 1 . . . . 74 ARG CG . 15361 1 845 . 1 1 74 74 ARG N N 15 123.364 0.400 . 1 . . . . 74 ARG N . 15361 1 846 . 1 1 75 75 GLY H H 1 8.384 0.020 . 1 . . . . 75 GLY H . 15361 1 847 . 1 1 75 75 GLY HA2 H 1 3.440 0.020 . 2 . . . . 75 GLY HA2 . 15361 1 848 . 1 1 75 75 GLY HA3 H 1 4.060 0.020 . 2 . . . . 75 GLY HA3 . 15361 1 849 . 1 1 75 75 GLY C C 13 174.900 0.400 . 1 . . . . 75 GLY C . 15361 1 850 . 1 1 75 75 GLY CA C 13 46.057 0.400 . 1 . . . . 75 GLY CA . 15361 1 851 . 1 1 75 75 GLY N N 15 112.664 0.400 . 1 . . . . 75 GLY N . 15361 1 852 . 1 1 76 76 THR H H 1 10.319 0.020 . 1 . . . . 76 THR H . 15361 1 853 . 1 1 76 76 THR HA H 1 4.019 0.020 . 1 . . . . 76 THR HA . 15361 1 854 . 1 1 76 76 THR HB H 1 4.269 0.020 . 1 . . . . 76 THR HB . 15361 1 855 . 1 1 76 76 THR HG21 H 1 1.450 0.020 . 1 . . . . 76 THR HG2 . 15361 1 856 . 1 1 76 76 THR HG22 H 1 1.450 0.020 . 1 . . . . 76 THR HG2 . 15361 1 857 . 1 1 76 76 THR HG23 H 1 1.450 0.020 . 1 . . . . 76 THR HG2 . 15361 1 858 . 1 1 76 76 THR CA C 13 64.336 0.400 . 1 . . . . 76 THR CA . 15361 1 859 . 1 1 76 76 THR CB C 13 69.201 0.400 . 1 . . . . 76 THR CB . 15361 1 860 . 1 1 76 76 THR CG2 C 13 22.682 0.400 . 1 . . . . 76 THR CG2 . 15361 1 861 . 1 1 76 76 THR N N 15 123.641 0.400 . 1 . . . . 76 THR N . 15361 1 862 . 1 1 77 77 LEU H H 1 8.285 0.020 . 1 . . . . 77 LEU H . 15361 1 863 . 1 1 77 77 LEU HA H 1 4.232 0.020 . 1 . . . . 77 LEU HA . 15361 1 864 . 1 1 77 77 LEU HB2 H 1 1.189 0.020 . 1 . . . . 77 LEU HB2 . 15361 1 865 . 1 1 77 77 LEU HB3 H 1 1.060 0.020 . 1 . . . . 77 LEU HB3 . 15361 1 866 . 1 1 77 77 LEU HD11 H 1 -0.460 0.020 . 2 . . . . 77 LEU HD1 . 15361 1 867 . 1 1 77 77 LEU HD12 H 1 -0.460 0.020 . 2 . . . . 77 LEU HD1 . 15361 1 868 . 1 1 77 77 LEU HD13 H 1 -0.460 0.020 . 2 . . . . 77 LEU HD1 . 15361 1 869 . 1 1 77 77 LEU HD21 H 1 -0.858 0.020 . 2 . . . . 77 LEU HD2 . 15361 1 870 . 1 1 77 77 LEU HD22 H 1 -0.858 0.020 . 2 . . . . 77 LEU HD2 . 15361 1 871 . 1 1 77 77 LEU HD23 H 1 -0.858 0.020 . 2 . . . . 77 LEU HD2 . 15361 1 872 . 1 1 77 77 LEU HG H 1 1.175 0.020 . 1 . . . . 77 LEU HG . 15361 1 873 . 1 1 77 77 LEU C C 13 175.100 0.400 . 1 . . . . 77 LEU C . 15361 1 874 . 1 1 77 77 LEU CA C 13 55.332 0.400 . 1 . . . . 77 LEU CA . 15361 1 875 . 1 1 77 77 LEU CB C 13 44.201 0.400 . 1 . . . . 77 LEU CB . 15361 1 876 . 1 1 77 77 LEU CD1 C 13 24.537 0.400 . 1 . . . . 77 LEU CD1 . 15361 1 877 . 1 1 77 77 LEU CD2 C 13 19.342 0.400 . 1 . . . . 77 LEU CD2 . 15361 1 878 . 1 1 77 77 LEU CG C 13 25.179 0.400 . 1 . . . . 77 LEU CG . 15361 1 879 . 1 1 77 77 LEU N N 15 126.000 0.400 . 1 . . . . 77 LEU N . 15361 1 880 . 1 1 78 78 ALA H H 1 7.459 0.020 . 1 . . . . 78 ALA H . 15361 1 881 . 1 1 78 78 ALA HA H 1 4.780 0.020 . 1 . . . . 78 ALA HA . 15361 1 882 . 1 1 78 78 ALA HB1 H 1 1.200 0.020 . 1 . . . . 78 ALA HB . 15361 1 883 . 1 1 78 78 ALA HB2 H 1 1.200 0.020 . 1 . . . . 78 ALA HB . 15361 1 884 . 1 1 78 78 ALA HB3 H 1 1.200 0.020 . 1 . . . . 78 ALA HB . 15361 1 885 . 1 1 78 78 ALA C C 13 175.100 0.400 . 1 . . . . 78 ALA C . 15361 1 886 . 1 1 78 78 ALA CA C 13 51.621 0.400 . 1 . . . . 78 ALA CA . 15361 1 887 . 1 1 78 78 ALA CB C 13 22.311 0.400 . 1 . . . . 78 ALA CB . 15361 1 888 . 1 1 78 78 ALA N N 15 114.493 0.400 . 1 . . . . 78 ALA N . 15361 1 889 . 1 1 79 79 HIS H H 1 8.942 0.020 . 1 . . . . 79 HIS H . 15361 1 890 . 1 1 79 79 HIS HA H 1 4.757 0.020 . 1 . . . . 79 HIS HA . 15361 1 891 . 1 1 79 79 HIS HB2 H 1 2.997 0.020 . 1 . . . . 79 HIS HB2 . 15361 1 892 . 1 1 79 79 HIS HB3 H 1 2.595 0.020 . 1 . . . . 79 HIS HB3 . 15361 1 893 . 1 1 79 79 HIS HD2 H 1 6.215 0.020 . 1 . . . . 79 HIS HD2 . 15361 1 894 . 1 1 79 79 HIS HE1 H 1 8.072 0.020 . 1 . . . . 79 HIS HE1 . 15361 1 895 . 1 1 79 79 HIS C C 13 171.500 0.400 . 1 . . . . 79 HIS C . 15361 1 896 . 1 1 79 79 HIS CA C 13 54.590 0.400 . 1 . . . . 79 HIS CA . 15361 1 897 . 1 1 79 79 HIS CB C 13 30.473 0.400 . 1 . . . . 79 HIS CB . 15361 1 898 . 1 1 79 79 HIS N N 15 115.408 0.400 . 1 . . . . 79 HIS N . 15361 1 899 . 1 1 79 79 HIS ND1 N 15 177.900 0.400 . 1 . . . . 79 HIS ND1 . 15361 1 900 . 1 1 79 79 HIS NE2 N 15 199.301 0.400 . 1 . . . . 79 HIS NE2 . 15361 1 901 . 1 1 80 80 ALA H H 1 7.791 0.020 . 1 . . . . 80 ALA H . 15361 1 902 . 1 1 80 80 ALA HA H 1 4.951 0.020 . 1 . . . . 80 ALA HA . 15361 1 903 . 1 1 80 80 ALA HB1 H 1 1.168 0.020 . 1 . . . . 80 ALA HB . 15361 1 904 . 1 1 80 80 ALA HB2 H 1 1.168 0.020 . 1 . . . . 80 ALA HB . 15361 1 905 . 1 1 80 80 ALA HB3 H 1 1.168 0.020 . 1 . . . . 80 ALA HB . 15361 1 906 . 1 1 80 80 ALA C C 13 176.100 0.400 . 1 . . . . 80 ALA C . 15361 1 907 . 1 1 80 80 ALA CA C 13 49.396 0.400 . 1 . . . . 80 ALA CA . 15361 1 908 . 1 1 80 80 ALA CB C 13 24.166 0.400 . 1 . . . . 80 ALA CB . 15361 1 909 . 1 1 80 80 ALA N N 15 119.372 0.400 . 1 . . . . 80 ALA N . 15361 1 910 . 1 1 81 81 PHE H H 1 7.770 0.020 . 1 . . . . 81 PHE H . 15361 1 911 . 1 1 81 81 PHE HA H 1 4.314 0.020 . 1 . . . . 81 PHE HA . 15361 1 912 . 1 1 81 81 PHE HB2 H 1 3.093 0.020 . 2 . . . . 81 PHE HB2 . 15361 1 913 . 1 1 81 81 PHE HB3 H 1 2.852 0.020 . 2 . . . . 81 PHE HB3 . 15361 1 914 . 1 1 81 81 PHE HD1 H 1 6.992 0.020 . 1 . . . . 81 PHE HD1 . 15361 1 915 . 1 1 81 81 PHE HD2 H 1 6.992 0.020 . 1 . . . . 81 PHE HD2 . 15361 1 916 . 1 1 81 81 PHE HE1 H 1 6.742 0.020 . 1 . . . . 81 PHE HE1 . 15361 1 917 . 1 1 81 81 PHE HE2 H 1 6.742 0.020 . 1 . . . . 81 PHE HE2 . 15361 1 918 . 1 1 81 81 PHE C C 13 174.700 0.400 . 1 . . . . 81 PHE C . 15361 1 919 . 1 1 81 81 PHE CA C 13 56.445 0.400 . 1 . . . . 81 PHE CA . 15361 1 920 . 1 1 81 81 PHE CB C 13 41.183 0.400 . 1 . . . . 81 PHE CB . 15361 1 921 . 1 1 81 81 PHE N N 15 119.372 0.400 . 1 . . . . 81 PHE N . 15361 1 922 . 1 1 82 82 ALA H H 1 8.046 0.020 . 1 . . . . 82 ALA H . 15361 1 923 . 1 1 82 82 ALA HA H 1 4.184 0.020 . 1 . . . . 82 ALA HA . 15361 1 924 . 1 1 82 82 ALA HB1 H 1 1.165 0.020 . 1 . . . . 82 ALA HB . 15361 1 925 . 1 1 82 82 ALA HB2 H 1 1.165 0.020 . 1 . . . . 82 ALA HB . 15361 1 926 . 1 1 82 82 ALA HB3 H 1 1.165 0.020 . 1 . . . . 82 ALA HB . 15361 1 927 . 1 1 82 82 ALA C C 13 174.500 0.400 . 1 . . . . 82 ALA C . 15361 1 928 . 1 1 82 82 ALA CA C 13 50.138 0.400 . 1 . . . . 82 ALA CA . 15361 1 929 . 1 1 82 82 ALA CB C 13 16.745 0.400 . 1 . . . . 82 ALA CB . 15361 1 930 . 1 1 82 82 ALA N N 15 122.422 0.400 . 1 . . . . 82 ALA N . 15361 1 931 . 1 1 83 83 PRO HA H 1 2.837 0.020 . 1 . . . . 83 PRO HA . 15361 1 932 . 1 1 83 83 PRO HB2 H 1 0.593 0.020 . 2 . . . . 83 PRO HB2 . 15361 1 933 . 1 1 83 83 PRO HB3 H 1 -0.249 0.020 . 2 . . . . 83 PRO HB3 . 15361 1 934 . 1 1 83 83 PRO HD2 H 1 3.311 0.020 . 2 . . . . 83 PRO HD2 . 15361 1 935 . 1 1 83 83 PRO HD3 H 1 3.094 0.020 . 2 . . . . 83 PRO HD3 . 15361 1 936 . 1 1 83 83 PRO HG2 H 1 1.520 0.020 . 2 . . . . 83 PRO HG2 . 15361 1 937 . 1 1 83 83 PRO HG3 H 1 1.153 0.020 . 2 . . . . 83 PRO HG3 . 15361 1 938 . 1 1 83 83 PRO CA C 13 63.866 0.400 . 1 . . . . 83 PRO CA . 15361 1 939 . 1 1 83 83 PRO CB C 13 31.215 0.400 . 1 . . . . 83 PRO CB . 15361 1 940 . 1 1 83 83 PRO CD C 13 49.205 0.400 . 1 . . . . 83 PRO CD . 15361 1 941 . 1 1 83 83 PRO CG C 13 26.902 0.400 . 1 . . . . 83 PRO CG . 15361 1 942 . 1 1 84 84 GLY H H 1 5.413 0.020 . 1 . . . . 84 GLY H . 15361 1 943 . 1 1 84 84 GLY HA2 H 1 3.397 0.020 . 2 . . . . 84 GLY HA2 . 15361 1 944 . 1 1 84 84 GLY HA3 H 1 3.992 0.020 . 2 . . . . 84 GLY HA3 . 15361 1 945 . 1 1 84 84 GLY CA C 13 43.459 0.400 . 1 . . . . 84 GLY CA . 15361 1 946 . 1 1 84 84 GLY N N 15 105.955 0.400 . 1 . . . . 84 GLY N . 15361 1 947 . 1 1 85 85 GLU H H 1 8.374 0.020 . 1 . . . . 85 GLU H . 15361 1 948 . 1 1 85 85 GLU HA H 1 4.251 0.020 . 1 . . . . 85 GLU HA . 15361 1 949 . 1 1 85 85 GLU HB2 H 1 2.069 0.020 . 2 . . . . 85 GLU HB2 . 15361 1 950 . 1 1 85 85 GLU HB3 H 1 2.069 0.020 . 2 . . . . 85 GLU HB3 . 15361 1 951 . 1 1 85 85 GLU HG2 H 1 2.263 0.020 . 2 . . . . 85 GLU HG2 . 15361 1 952 . 1 1 85 85 GLU HG3 H 1 2.263 0.020 . 2 . . . . 85 GLU HG3 . 15361 1 953 . 1 1 85 85 GLU C C 13 177.900 0.400 . 1 . . . . 85 GLU C . 15361 1 954 . 1 1 85 85 GLU CA C 13 56.074 0.400 . 1 . . . . 85 GLU CA . 15361 1 955 . 1 1 85 85 GLU CB C 13 30.473 0.400 . 1 . . . . 85 GLU CB . 15361 1 956 . 1 1 85 85 GLU CG C 13 36.039 0.400 . 1 . . . . 85 GLU CG . 15361 1 957 . 1 1 85 85 GLU N N 15 117.848 0.400 . 1 . . . . 85 GLU N . 15361 1 958 . 1 1 86 86 GLY H H 1 8.936 0.020 . 1 . . . . 86 GLY H . 15361 1 959 . 1 1 86 86 GLY HA2 H 1 3.686 0.020 . 2 . . . . 86 GLY HA2 . 15361 1 960 . 1 1 86 86 GLY HA3 H 1 3.833 0.020 . 2 . . . . 86 GLY HA3 . 15361 1 961 . 1 1 86 86 GLY C C 13 174.900 0.400 . 1 . . . . 86 GLY C . 15361 1 962 . 1 1 86 86 GLY CA C 13 46.799 0.400 . 1 . . . . 86 GLY CA . 15361 1 963 . 1 1 86 86 GLY N N 15 112.054 0.400 . 1 . . . . 86 GLY N . 15361 1 964 . 1 1 87 87 LEU H H 1 9.054 0.020 . 1 . . . . 87 LEU H . 15361 1 965 . 1 1 87 87 LEU HA H 1 4.053 0.020 . 1 . . . . 87 LEU HA . 15361 1 966 . 1 1 87 87 LEU HB2 H 1 1.094 0.020 . 1 . . . . 87 LEU HB2 . 15361 1 967 . 1 1 87 87 LEU HB3 H 1 0.627 0.020 . 1 . . . . 87 LEU HB3 . 15361 1 968 . 1 1 87 87 LEU HD11 H 1 0.570 0.020 . 2 . . . . 87 LEU HD1 . 15361 1 969 . 1 1 87 87 LEU HD12 H 1 0.570 0.020 . 2 . . . . 87 LEU HD1 . 15361 1 970 . 1 1 87 87 LEU HD13 H 1 0.570 0.020 . 2 . . . . 87 LEU HD1 . 15361 1 971 . 1 1 87 87 LEU HD21 H 1 0.471 0.020 . 2 . . . . 87 LEU HD2 . 15361 1 972 . 1 1 87 87 LEU HD22 H 1 0.471 0.020 . 2 . . . . 87 LEU HD2 . 15361 1 973 . 1 1 87 87 LEU HD23 H 1 0.471 0.020 . 2 . . . . 87 LEU HD2 . 15361 1 974 . 1 1 87 87 LEU HG H 1 1.117 0.020 . 1 . . . . 87 LEU HG . 15361 1 975 . 1 1 87 87 LEU C C 13 176.000 0.400 . 1 . . . . 87 LEU C . 15361 1 976 . 1 1 87 87 LEU CA C 13 55.803 0.400 . 1 . . . . 87 LEU CA . 15361 1 977 . 1 1 87 87 LEU CB C 13 41.598 0.400 . 1 . . . . 87 LEU CB . 15361 1 978 . 1 1 87 87 LEU CD1 C 13 23.905 0.400 . 1 . . . . 87 LEU CD1 . 15361 1 979 . 1 1 87 87 LEU CD2 C 13 23.704 0.400 . 1 . . . . 87 LEU CD2 . 15361 1 980 . 1 1 87 87 LEU CG C 13 26.603 0.400 . 1 . . . . 87 LEU CG . 15361 1 981 . 1 1 87 87 LEU N N 15 134.314 0.400 . 1 . . . . 87 LEU N . 15361 1 982 . 1 1 88 88 GLY H H 1 7.512 0.020 . 1 . . . . 88 GLY H . 15361 1 983 . 1 1 88 88 GLY HA2 H 1 3.003 0.020 . 2 . . . . 88 GLY HA2 . 15361 1 984 . 1 1 88 88 GLY HA3 H 1 3.733 0.020 . 2 . . . . 88 GLY HA3 . 15361 1 985 . 1 1 88 88 GLY C C 13 174.800 0.400 . 1 . . . . 88 GLY C . 15361 1 986 . 1 1 88 88 GLY CA C 13 47.170 0.400 . 1 . . . . 88 GLY CA . 15361 1 987 . 1 1 88 88 GLY N N 15 101.686 0.400 . 1 . . . . 88 GLY N . 15361 1 988 . 1 1 89 89 GLY H H 1 7.610 0.020 . 1 . . . . 89 GLY H . 15361 1 989 . 1 1 89 89 GLY HA2 H 1 4.054 0.020 . 2 . . . . 89 GLY HA2 . 15361 1 990 . 1 1 89 89 GLY HA3 H 1 4.533 0.020 . 2 . . . . 89 GLY HA3 . 15361 1 991 . 1 1 89 89 GLY C C 13 169.600 0.400 . 1 . . . . 89 GLY C . 15361 1 992 . 1 1 89 89 GLY CA C 13 46.057 0.400 . 1 . . . . 89 GLY CA . 15361 1 993 . 1 1 89 89 GLY N N 15 119.067 0.400 . 1 . . . . 89 GLY N . 15361 1 994 . 1 1 90 90 ASP H H 1 8.297 0.020 . 1 . . . . 90 ASP H . 15361 1 995 . 1 1 90 90 ASP HA H 1 4.747 0.020 . 1 . . . . 90 ASP HA . 15361 1 996 . 1 1 90 90 ASP HB2 H 1 3.046 0.020 . 2 . . . . 90 ASP HB2 . 15361 1 997 . 1 1 90 90 ASP HB3 H 1 2.703 0.020 . 2 . . . . 90 ASP HB3 . 15361 1 998 . 1 1 90 90 ASP C C 13 175.800 0.400 . 1 . . . . 90 ASP C . 15361 1 999 . 1 1 90 90 ASP CA C 13 54.590 0.400 . 1 . . . . 90 ASP CA . 15361 1 1000 . 1 1 90 90 ASP CB C 13 39.436 0.400 . 1 . . . . 90 ASP CB . 15361 1 1001 . 1 1 90 90 ASP N N 15 117.848 0.400 . 1 . . . . 90 ASP N . 15361 1 1002 . 1 1 91 91 THR H H 1 8.460 0.020 . 1 . . . . 91 THR H . 15361 1 1003 . 1 1 91 91 THR HA H 1 4.400 0.020 . 1 . . . . 91 THR HA . 15361 1 1004 . 1 1 91 91 THR HB H 1 3.514 0.020 . 1 . . . . 91 THR HB . 15361 1 1005 . 1 1 91 91 THR HG1 H 1 2.531 0.020 . 1 . . . . 91 THR HG1 . 15361 1 1006 . 1 1 91 91 THR HG21 H 1 0.350 0.020 . 1 . . . . 91 THR HG2 . 15361 1 1007 . 1 1 91 91 THR HG22 H 1 0.350 0.020 . 1 . . . . 91 THR HG2 . 15361 1 1008 . 1 1 91 91 THR HG23 H 1 0.350 0.020 . 1 . . . . 91 THR HG2 . 15361 1 1009 . 1 1 91 91 THR C C 13 172.400 0.400 . 1 . . . . 91 THR C . 15361 1 1010 . 1 1 91 91 THR CA C 13 61.640 0.400 . 1 . . . . 91 THR CA . 15361 1 1011 . 1 1 91 91 THR CB C 13 72.029 0.400 . 1 . . . . 91 THR CB . 15361 1 1012 . 1 1 91 91 THR CG2 C 13 20.826 0.400 . 1 . . . . 91 THR CG2 . 15361 1 1013 . 1 1 91 91 THR N N 15 111.139 0.400 . 1 . . . . 91 THR N . 15361 1 1014 . 1 1 92 92 HIS H H 1 8.975 0.020 . 1 . . . . 92 HIS H . 15361 1 1015 . 1 1 92 92 HIS HA H 1 5.686 0.020 . 1 . . . . 92 HIS HA . 15361 1 1016 . 1 1 92 92 HIS HB2 H 1 2.878 0.020 . 2 . . . . 92 HIS HB2 . 15361 1 1017 . 1 1 92 92 HIS HB3 H 1 2.359 0.020 . 2 . . . . 92 HIS HB3 . 15361 1 1018 . 1 1 92 92 HIS HD2 H 1 7.201 0.020 . 1 . . . . 92 HIS HD2 . 15361 1 1019 . 1 1 92 92 HIS HE1 H 1 8.260 0.020 . 1 . . . . 92 HIS HE1 . 15361 1 1020 . 1 1 92 92 HIS HE2 H 1 13.260 0.020 . 1 . . . . 92 HIS HE2 . 15361 1 1021 . 1 1 92 92 HIS C C 13 172.900 0.400 . 1 . . . . 92 HIS C . 15361 1 1022 . 1 1 92 92 HIS CA C 13 50.138 0.400 . 1 . . . . 92 HIS CA . 15361 1 1023 . 1 1 92 92 HIS CB C 13 33.070 0.400 . 1 . . . . 92 HIS CB . 15361 1 1024 . 1 1 92 92 HIS N N 15 124.556 0.400 . 1 . . . . 92 HIS N . 15361 1 1025 . 1 1 92 92 HIS ND1 N 15 208.860 0.400 . 1 . . . . 92 HIS ND1 . 15361 1 1026 . 1 1 92 92 HIS NE2 N 15 170.480 0.400 . 1 . . . . 92 HIS NE2 . 15361 1 1027 . 1 1 93 93 PHE H H 1 8.712 0.020 . 1 . . . . 93 PHE H . 15361 1 1028 . 1 1 93 93 PHE HA H 1 4.397 0.020 . 1 . . . . 93 PHE HA . 15361 1 1029 . 1 1 93 93 PHE HB2 H 1 2.255 0.020 . 2 . . . . 93 PHE HB2 . 15361 1 1030 . 1 1 93 93 PHE HB3 H 1 2.255 0.020 . 2 . . . . 93 PHE HB3 . 15361 1 1031 . 1 1 93 93 PHE HD1 H 1 5.859 0.020 . 1 . . . . 93 PHE HD1 . 15361 1 1032 . 1 1 93 93 PHE HD2 H 1 5.859 0.020 . 1 . . . . 93 PHE HD2 . 15361 1 1033 . 1 1 93 93 PHE HE1 H 1 6.314 0.020 . 1 . . . . 93 PHE HE1 . 15361 1 1034 . 1 1 93 93 PHE HE2 H 1 6.314 0.020 . 1 . . . . 93 PHE HE2 . 15361 1 1035 . 1 1 93 93 PHE HZ H 1 6.179 0.020 . 1 . . . . 93 PHE HZ . 15361 1 1036 . 1 1 93 93 PHE C C 13 174.300 0.400 . 1 . . . . 93 PHE C . 15361 1 1037 . 1 1 93 93 PHE CA C 13 55.332 0.400 . 1 . . . . 93 PHE CA . 15361 1 1038 . 1 1 93 93 PHE CB C 13 42.346 0.400 . 1 . . . . 93 PHE CB . 15361 1 1039 . 1 1 93 93 PHE N N 15 121.507 0.400 . 1 . . . . 93 PHE N . 15361 1 1040 . 1 1 94 94 ASP H H 1 8.339 0.020 . 1 . . . . 94 ASP H . 15361 1 1041 . 1 1 94 94 ASP HA H 1 3.770 0.020 . 1 . . . . 94 ASP HA . 15361 1 1042 . 1 1 94 94 ASP HB2 H 1 3.015 0.020 . 2 . . . . 94 ASP HB2 . 15361 1 1043 . 1 1 94 94 ASP HB3 H 1 0.993 0.020 . 2 . . . . 94 ASP HB3 . 15361 1 1044 . 1 1 94 94 ASP C C 13 178.300 0.400 . 1 . . . . 94 ASP C . 15361 1 1045 . 1 1 94 94 ASP CA C 13 55.200 0.400 . 1 . . . . 94 ASP CA . 15361 1 1046 . 1 1 94 94 ASP CB C 13 40.120 0.400 . 1 . . . . 94 ASP CB . 15361 1 1047 . 1 1 94 94 ASP N N 15 122.727 0.400 . 1 . . . . 94 ASP N . 15361 1 1048 . 1 1 95 95 ASN H H 1 9.655 0.020 . 1 . . . . 95 ASN H . 15361 1 1049 . 1 1 95 95 ASN HA H 1 4.992 0.020 . 1 . . . . 95 ASN HA . 15361 1 1050 . 1 1 95 95 ASN HB2 H 1 2.670 0.020 . 1 . . . . 95 ASN HB2 . 15361 1 1051 . 1 1 95 95 ASN HB3 H 1 2.193 0.020 . 1 . . . . 95 ASN HB3 . 15361 1 1052 . 1 1 95 95 ASN HD21 H 1 6.131 0.020 . 2 . . . . 95 ASN HD21 . 15361 1 1053 . 1 1 95 95 ASN HD22 H 1 7.320 0.020 . 2 . . . . 95 ASN HD22 . 15361 1 1054 . 1 1 95 95 ASN C C 13 175.700 0.400 . 1 . . . . 95 ASN C . 15361 1 1055 . 1 1 95 95 ASN CA C 13 53.106 0.400 . 1 . . . . 95 ASN CA . 15361 1 1056 . 1 1 95 95 ASN CB C 13 38.265 0.400 . 1 . . . . 95 ASN CB . 15361 1 1057 . 1 1 95 95 ASN N N 15 128.825 0.400 . 1 . . . . 95 ASN N . 15361 1 1058 . 1 1 95 95 ASN ND2 N 15 109.000 0.400 . 1 . . . . 95 ASN ND2 . 15361 1 1059 . 1 1 96 96 ALA H H 1 9.045 0.020 . 1 . . . . 96 ALA H . 15361 1 1060 . 1 1 96 96 ALA HA H 1 4.163 0.020 . 1 . . . . 96 ALA HA . 15361 1 1061 . 1 1 96 96 ALA HB1 H 1 1.110 0.020 . 1 . . . . 96 ALA HB . 15361 1 1062 . 1 1 96 96 ALA HB2 H 1 1.110 0.020 . 1 . . . . 96 ALA HB . 15361 1 1063 . 1 1 96 96 ALA HB3 H 1 1.110 0.020 . 1 . . . . 96 ALA HB . 15361 1 1064 . 1 1 96 96 ALA C C 13 178.200 0.400 . 1 . . . . 96 ALA C . 15361 1 1065 . 1 1 96 96 ALA CA C 13 52.170 0.400 . 1 . . . . 96 ALA CA . 15361 1 1066 . 1 1 96 96 ALA CB C 13 18.971 0.400 . 1 . . . . 96 ALA CB . 15361 1 1067 . 1 1 96 96 ALA N N 15 120.742 0.400 . 1 . . . . 96 ALA N . 15361 1 1068 . 1 1 97 97 GLU H H 1 6.858 0.020 . 1 . . . . 97 GLU H . 15361 1 1069 . 1 1 97 97 GLU HA H 1 4.281 0.020 . 1 . . . . 97 GLU HA . 15361 1 1070 . 1 1 97 97 GLU HB2 H 1 0.850 0.020 . 2 . . . . 97 GLU HB2 . 15361 1 1071 . 1 1 97 97 GLU HB3 H 1 -0.036 0.020 . 2 . . . . 97 GLU HB3 . 15361 1 1072 . 1 1 97 97 GLU HG2 H 1 2.370 0.020 . 2 . . . . 97 GLU HG2 . 15361 1 1073 . 1 1 97 97 GLU HG3 H 1 1.388 0.020 . 2 . . . . 97 GLU HG3 . 15361 1 1074 . 1 1 97 97 GLU C C 13 176.000 0.400 . 1 . . . . 97 GLU C . 15361 1 1075 . 1 1 97 97 GLU CA C 13 53.479 0.400 . 1 . . . . 97 GLU CA . 15361 1 1076 . 1 1 97 97 GLU CB C 13 27.522 0.400 . 1 . . . . 97 GLU CB . 15361 1 1077 . 1 1 97 97 GLU CG C 13 34.184 0.400 . 1 . . . . 97 GLU CG . 15361 1 1078 . 1 1 97 97 GLU N N 15 110.834 0.400 . 1 . . . . 97 GLU N . 15361 1 1079 . 1 1 98 98 LYS H H 1 8.119 0.020 . 1 . . . . 98 LYS H . 15361 1 1080 . 1 1 98 98 LYS HA H 1 4.149 0.020 . 1 . . . . 98 LYS HA . 15361 1 1081 . 1 1 98 98 LYS HB2 H 1 1.742 0.020 . 2 . . . . 98 LYS HB2 . 15361 1 1082 . 1 1 98 98 LYS HB3 H 1 1.441 0.020 . 2 . . . . 98 LYS HB3 . 15361 1 1083 . 1 1 98 98 LYS HD2 H 1 1.503 0.020 . 2 . . . . 98 LYS HD2 . 15361 1 1084 . 1 1 98 98 LYS HD3 H 1 1.503 0.020 . 2 . . . . 98 LYS HD3 . 15361 1 1085 . 1 1 98 98 LYS HE2 H 1 2.851 0.020 . 2 . . . . 98 LYS HE2 . 15361 1 1086 . 1 1 98 98 LYS HE3 H 1 2.851 0.020 . 2 . . . . 98 LYS HE3 . 15361 1 1087 . 1 1 98 98 LYS HG2 H 1 1.324 0.020 . 2 . . . . 98 LYS HG2 . 15361 1 1088 . 1 1 98 98 LYS HG3 H 1 1.216 0.020 . 2 . . . . 98 LYS HG3 . 15361 1 1089 . 1 1 98 98 LYS C C 13 174.300 0.400 . 1 . . . . 98 LYS C . 15361 1 1090 . 1 1 98 98 LYS CA C 13 54.219 0.400 . 1 . . . . 98 LYS CA . 15361 1 1091 . 1 1 98 98 LYS CB C 13 30.473 0.400 . 1 . . . . 98 LYS CB . 15361 1 1092 . 1 1 98 98 LYS CD C 13 28.919 0.400 . 1 . . . . 98 LYS CD . 15361 1 1093 . 1 1 98 98 LYS CE C 13 41.975 0.400 . 1 . . . . 98 LYS CE . 15361 1 1094 . 1 1 98 98 LYS CG C 13 24.824 0.400 . 1 . . . . 98 LYS CG . 15361 1 1095 . 1 1 98 98 LYS N N 15 122.727 0.400 . 1 . . . . 98 LYS N . 15361 1 1096 . 1 1 99 99 TRP H H 1 7.035 0.020 . 1 . . . . 99 TRP H . 15361 1 1097 . 1 1 99 99 TRP HA H 1 5.119 0.020 . 1 . . . . 99 TRP HA . 15361 1 1098 . 1 1 99 99 TRP HB2 H 1 3.239 0.020 . 2 . . . . 99 TRP HB2 . 15361 1 1099 . 1 1 99 99 TRP HB3 H 1 2.757 0.020 . 2 . . . . 99 TRP HB3 . 15361 1 1100 . 1 1 99 99 TRP HD1 H 1 7.168 0.020 . 1 . . . . 99 TRP HD1 . 15361 1 1101 . 1 1 99 99 TRP HE1 H 1 10.097 0.020 . 1 . . . . 99 TRP HE1 . 15361 1 1102 . 1 1 99 99 TRP HE3 H 1 7.436 0.020 . 1 . . . . 99 TRP HE3 . 15361 1 1103 . 1 1 99 99 TRP HH2 H 1 6.836 0.020 . 1 . . . . 99 TRP HH2 . 15361 1 1104 . 1 1 99 99 TRP HZ2 H 1 7.770 0.020 . 1 . . . . 99 TRP HZ2 . 15361 1 1105 . 1 1 99 99 TRP HZ3 H 1 6.535 0.020 . 1 . . . . 99 TRP HZ3 . 15361 1 1106 . 1 1 99 99 TRP C C 13 175.400 0.400 . 1 . . . . 99 TRP C . 15361 1 1107 . 1 1 99 99 TRP CA C 13 56.414 0.400 . 1 . . . . 99 TRP CA . 15361 1 1108 . 1 1 99 99 TRP CB C 13 30.844 0.400 . 1 . . . . 99 TRP CB . 15361 1 1109 . 1 1 99 99 TRP N N 15 126.691 0.400 . 1 . . . . 99 TRP N . 15361 1 1110 . 1 1 100 100 THR H H 1 8.211 0.020 . 1 . . . . 100 THR H . 15361 1 1111 . 1 1 100 100 THR HA H 1 4.742 0.020 . 1 . . . . 100 THR HA . 15361 1 1112 . 1 1 100 100 THR HB H 1 3.816 0.020 . 1 . . . . 100 THR HB . 15361 1 1113 . 1 1 100 100 THR HG21 H 1 0.468 0.020 . 1 . . . . 100 THR HG2 . 15361 1 1114 . 1 1 100 100 THR HG22 H 1 0.468 0.020 . 1 . . . . 100 THR HG2 . 15361 1 1115 . 1 1 100 100 THR HG23 H 1 0.468 0.020 . 1 . . . . 100 THR HG2 . 15361 1 1116 . 1 1 100 100 THR C C 13 172.800 0.400 . 1 . . . . 100 THR C . 15361 1 1117 . 1 1 100 100 THR CA C 13 59.244 0.400 . 1 . . . . 100 THR CA . 15361 1 1118 . 1 1 100 100 THR CB C 13 69.432 0.400 . 1 . . . . 100 THR CB . 15361 1 1119 . 1 1 100 100 THR CG2 C 13 17.487 0.400 . 1 . . . . 100 THR CG2 . 15361 1 1120 . 1 1 100 100 THR N N 15 114.798 0.400 . 1 . . . . 100 THR N . 15361 1 1121 . 1 1 101 101 MET H H 1 8.934 0.020 . 1 . . . . 101 MET H . 15361 1 1122 . 1 1 101 101 MET HA H 1 4.962 0.020 . 1 . . . . 101 MET HA . 15361 1 1123 . 1 1 101 101 MET HB2 H 1 2.293 0.020 . 2 . . . . 101 MET HB2 . 15361 1 1124 . 1 1 101 101 MET HB3 H 1 1.963 0.020 . 2 . . . . 101 MET HB3 . 15361 1 1125 . 1 1 101 101 MET HE1 H 1 2.076 0.020 . 1 . . . . 101 MET HE . 15361 1 1126 . 1 1 101 101 MET HE2 H 1 2.076 0.020 . 1 . . . . 101 MET HE . 15361 1 1127 . 1 1 101 101 MET HE3 H 1 2.076 0.020 . 1 . . . . 101 MET HE . 15361 1 1128 . 1 1 101 101 MET HG2 H 1 2.893 0.020 . 1 . . . . 101 MET HG2 . 15361 1 1129 . 1 1 101 101 MET HG3 H 1 2.593 0.020 . 1 . . . . 101 MET HG3 . 15361 1 1130 . 1 1 101 101 MET C C 13 177.500 0.400 . 1 . . . . 101 MET C . 15361 1 1131 . 1 1 101 101 MET CA C 13 54.590 0.400 . 1 . . . . 101 MET CA . 15361 1 1132 . 1 1 101 101 MET CB C 13 32.315 0.400 . 1 . . . . 101 MET CB . 15361 1 1133 . 1 1 101 101 MET CE C 13 16.901 0.400 . 1 . . . . 101 MET CE . 15361 1 1134 . 1 1 101 101 MET CG C 13 33.813 0.400 . 1 . . . . 101 MET CG . 15361 1 1135 . 1 1 101 101 MET N N 15 124.556 0.400 . 1 . . . . 101 MET N . 15361 1 1136 . 1 1 102 102 GLY H H 1 8.938 0.020 . 1 . . . . 102 GLY H . 15361 1 1137 . 1 1 102 102 GLY HA2 H 1 3.719 0.020 . 2 . . . . 102 GLY HA2 . 15361 1 1138 . 1 1 102 102 GLY HA3 H 1 4.593 0.020 . 2 . . . . 102 GLY HA3 . 15361 1 1139 . 1 1 102 102 GLY C C 13 173.100 0.400 . 1 . . . . 102 GLY C . 15361 1 1140 . 1 1 102 102 GLY CA C 13 44.201 0.400 . 1 . . . . 102 GLY CA . 15361 1 1141 . 1 1 102 102 GLY N N 15 112.359 0.400 . 1 . . . . 102 GLY N . 15361 1 1142 . 1 1 103 103 THR H H 1 8.151 0.020 . 1 . . . . 103 THR H . 15361 1 1143 . 1 1 103 103 THR HA H 1 4.261 0.020 . 1 . . . . 103 THR HA . 15361 1 1144 . 1 1 103 103 THR HB H 1 4.018 0.020 . 1 . . . . 103 THR HB . 15361 1 1145 . 1 1 103 103 THR HG21 H 1 0.213 0.020 . 1 . . . . 103 THR HG2 . 15361 1 1146 . 1 1 103 103 THR HG22 H 1 0.213 0.020 . 1 . . . . 103 THR HG2 . 15361 1 1147 . 1 1 103 103 THR HG23 H 1 0.213 0.020 . 1 . . . . 103 THR HG2 . 15361 1 1148 . 1 1 103 103 THR C C 13 175.000 0.400 . 1 . . . . 103 THR C . 15361 1 1149 . 1 1 103 103 THR CA C 13 60.156 0.400 . 1 . . . . 103 THR CA . 15361 1 1150 . 1 1 103 103 THR CB C 13 69.432 0.400 . 1 . . . . 103 THR CB . 15361 1 1151 . 1 1 103 103 THR CG2 C 13 19.713 0.400 . 1 . . . . 103 THR CG2 . 15361 1 1152 . 1 1 103 103 THR N N 15 110.834 0.400 . 1 . . . . 103 THR N . 15361 1 1153 . 1 1 104 104 ASN HA H 1 4.658 0.020 . 1 . . . . 104 ASN HA . 15361 1 1154 . 1 1 104 104 ASN HB2 H 1 2.758 0.020 . 2 . . . . 104 ASN HB2 . 15361 1 1155 . 1 1 104 104 ASN HB3 H 1 2.638 0.020 . 2 . . . . 104 ASN HB3 . 15361 1 1156 . 1 1 104 104 ASN HD21 H 1 7.523 0.020 . 2 . . . . 104 ASN HD21 . 15361 1 1157 . 1 1 104 104 ASN HD22 H 1 6.930 0.020 . 2 . . . . 104 ASN HD22 . 15361 1 1158 . 1 1 104 104 ASN CA C 13 52.364 0.400 . 1 . . . . 104 ASN CA . 15361 1 1159 . 1 1 104 104 ASN CB C 13 35.668 0.400 . 1 . . . . 104 ASN CB . 15361 1 1160 . 1 1 104 104 ASN ND2 N 15 113.000 0.400 . 1 . . . . 104 ASN ND2 . 15361 1 1161 . 1 1 105 105 GLY H H 1 7.509 0.020 . 1 . . . . 105 GLY H . 15361 1 1162 . 1 1 105 105 GLY HA2 H 1 4.021 0.020 . 2 . . . . 105 GLY HA2 . 15361 1 1163 . 1 1 105 105 GLY HA3 H 1 3.248 0.020 . 2 . . . . 105 GLY HA3 . 15361 1 1164 . 1 1 105 105 GLY C C 13 172.300 0.400 . 1 . . . . 105 GLY C . 15361 1 1165 . 1 1 105 105 GLY CA C 13 43.088 0.400 . 1 . . . . 105 GLY CA . 15361 1 1166 . 1 1 105 105 GLY N N 15 109.614 0.400 . 1 . . . . 105 GLY N . 15361 1 1167 . 1 1 106 106 PHE H H 1 8.065 0.020 . 1 . . . . 106 PHE H . 15361 1 1168 . 1 1 106 106 PHE HA H 1 3.904 0.020 . 1 . . . . 106 PHE HA . 15361 1 1169 . 1 1 106 106 PHE HB2 H 1 1.986 0.020 . 1 . . . . 106 PHE HB2 . 15361 1 1170 . 1 1 106 106 PHE HB3 H 1 1.558 0.020 . 1 . . . . 106 PHE HB3 . 15361 1 1171 . 1 1 106 106 PHE HD1 H 1 5.605 0.020 . 1 . . . . 106 PHE HD1 . 15361 1 1172 . 1 1 106 106 PHE HD2 H 1 5.605 0.020 . 1 . . . . 106 PHE HD2 . 15361 1 1173 . 1 1 106 106 PHE HE1 H 1 6.730 0.020 . 1 . . . . 106 PHE HE1 . 15361 1 1174 . 1 1 106 106 PHE HE2 H 1 6.730 0.020 . 1 . . . . 106 PHE HE2 . 15361 1 1175 . 1 1 106 106 PHE HZ H 1 6.700 0.020 . 1 . . . . 106 PHE HZ . 15361 1 1176 . 1 1 106 106 PHE C C 13 173.800 0.400 . 1 . . . . 106 PHE C . 15361 1 1177 . 1 1 106 106 PHE CA C 13 57.930 0.400 . 1 . . . . 106 PHE CA . 15361 1 1178 . 1 1 106 106 PHE CB C 13 39.484 0.400 . 1 . . . . 106 PHE CB . 15361 1 1179 . 1 1 106 106 PHE N N 15 119.067 0.400 . 1 . . . . 106 PHE N . 15361 1 1180 . 1 1 107 107 ASN H H 1 8.838 0.020 . 1 . . . . 107 ASN H . 15361 1 1181 . 1 1 107 107 ASN HA H 1 5.087 0.020 . 1 . . . . 107 ASN HA . 15361 1 1182 . 1 1 107 107 ASN HB2 H 1 3.309 0.020 . 2 . . . . 107 ASN HB2 . 15361 1 1183 . 1 1 107 107 ASN HB3 H 1 3.198 0.020 . 2 . . . . 107 ASN HB3 . 15361 1 1184 . 1 1 107 107 ASN HD21 H 1 7.520 0.020 . 2 . . . . 107 ASN HD21 . 15361 1 1185 . 1 1 107 107 ASN HD22 H 1 6.920 0.020 . 2 . . . . 107 ASN HD22 . 15361 1 1186 . 1 1 107 107 ASN C C 13 175.600 0.400 . 1 . . . . 107 ASN C . 15361 1 1187 . 1 1 107 107 ASN CA C 13 54.961 0.400 . 1 . . . . 107 ASN CA . 15361 1 1188 . 1 1 107 107 ASN CB C 13 41.285 0.400 . 1 . . . . 107 ASN CB . 15361 1 1189 . 1 1 107 107 ASN N N 15 123.641 0.400 . 1 . . . . 107 ASN N . 15361 1 1190 . 1 1 107 107 ASN ND2 N 15 110.500 0.400 . 1 . . . . 107 ASN ND2 . 15361 1 1191 . 1 1 108 108 LEU H H 1 8.995 0.020 . 1 . . . . 108 LEU H . 15361 1 1192 . 1 1 108 108 LEU HA H 1 4.196 0.020 . 1 . . . . 108 LEU HA . 15361 1 1193 . 1 1 108 108 LEU HB2 H 1 1.478 0.020 . 2 . . . . 108 LEU HB2 . 15361 1 1194 . 1 1 108 108 LEU HB3 H 1 1.410 0.020 . 2 . . . . 108 LEU HB3 . 15361 1 1195 . 1 1 108 108 LEU HD11 H 1 0.700 0.020 . 2 . . . . 108 LEU HD1 . 15361 1 1196 . 1 1 108 108 LEU HD12 H 1 0.700 0.020 . 2 . . . . 108 LEU HD1 . 15361 1 1197 . 1 1 108 108 LEU HD13 H 1 0.700 0.020 . 2 . . . . 108 LEU HD1 . 15361 1 1198 . 1 1 108 108 LEU HD21 H 1 -0.502 0.020 . 2 . . . . 108 LEU HD2 . 15361 1 1199 . 1 1 108 108 LEU HD22 H 1 -0.502 0.020 . 2 . . . . 108 LEU HD2 . 15361 1 1200 . 1 1 108 108 LEU HD23 H 1 -0.502 0.020 . 2 . . . . 108 LEU HD2 . 15361 1 1201 . 1 1 108 108 LEU HG H 1 1.031 0.020 . 1 . . . . 108 LEU HG . 15361 1 1202 . 1 1 108 108 LEU C C 13 176.800 0.400 . 1 . . . . 108 LEU C . 15361 1 1203 . 1 1 108 108 LEU CA C 13 57.558 0.400 . 1 . . . . 108 LEU CA . 15361 1 1204 . 1 1 108 108 LEU CB C 13 41.260 0.400 . 1 . . . . 108 LEU CB . 15361 1 1205 . 1 1 108 108 LEU CD1 C 13 28.146 0.400 . 1 . . . . 108 LEU CD1 . 15361 1 1206 . 1 1 108 108 LEU CD2 C 13 21.940 0.400 . 1 . . . . 108 LEU CD2 . 15361 1 1207 . 1 1 108 108 LEU CG C 13 26.818 0.400 . 1 . . . . 108 LEU CG . 15361 1 1208 . 1 1 108 108 LEU N N 15 129.726 0.400 . 1 . . . . 108 LEU N . 15361 1 1209 . 1 1 109 109 PHE H H 1 8.029 0.020 . 1 . . . . 109 PHE H . 15361 1 1210 . 1 1 109 109 PHE HA H 1 3.809 0.020 . 1 . . . . 109 PHE HA . 15361 1 1211 . 1 1 109 109 PHE HB2 H 1 3.431 0.020 . 2 . . . . 109 PHE HB2 . 15361 1 1212 . 1 1 109 109 PHE HB3 H 1 2.947 0.020 . 2 . . . . 109 PHE HB3 . 15361 1 1213 . 1 1 109 109 PHE HD1 H 1 7.058 0.020 . 1 . . . . 109 PHE HD1 . 15361 1 1214 . 1 1 109 109 PHE HD2 H 1 7.058 0.020 . 1 . . . . 109 PHE HD2 . 15361 1 1215 . 1 1 109 109 PHE C C 13 174.500 0.400 . 1 . . . . 109 PHE C . 15361 1 1216 . 1 1 109 109 PHE CA C 13 61.640 0.400 . 1 . . . . 109 PHE CA . 15361 1 1217 . 1 1 109 109 PHE CB C 13 37.894 0.400 . 1 . . . . 109 PHE CB . 15361 1 1218 . 1 1 109 109 PHE N N 15 117.848 0.400 . 1 . . . . 109 PHE N . 15361 1 1219 . 1 1 110 110 THR H H 1 8.495 0.020 . 1 . . . . 110 THR H . 15361 1 1220 . 1 1 110 110 THR HA H 1 3.018 0.020 . 1 . . . . 110 THR HA . 15361 1 1221 . 1 1 110 110 THR HB H 1 4.601 0.020 . 1 . . . . 110 THR HB . 15361 1 1222 . 1 1 110 110 THR HG21 H 1 1.222 0.020 . 1 . . . . 110 THR HG2 . 15361 1 1223 . 1 1 110 110 THR HG22 H 1 1.222 0.020 . 1 . . . . 110 THR HG2 . 15361 1 1224 . 1 1 110 110 THR HG23 H 1 1.222 0.020 . 1 . . . . 110 THR HG2 . 15361 1 1225 . 1 1 110 110 THR C C 13 174.900 0.400 . 1 . . . . 110 THR C . 15361 1 1226 . 1 1 110 110 THR CA C 13 68.318 0.400 . 1 . . . . 110 THR CA . 15361 1 1227 . 1 1 110 110 THR CB C 13 69.823 0.400 . 1 . . . . 110 THR CB . 15361 1 1228 . 1 1 110 110 THR CG2 C 13 21.569 0.400 . 1 . . . . 110 THR CG2 . 15361 1 1229 . 1 1 110 110 THR N N 15 115.408 0.400 . 1 . . . . 110 THR N . 15361 1 1230 . 1 1 111 111 VAL H H 1 7.461 0.020 . 1 . . . . 111 VAL H . 15361 1 1231 . 1 1 111 111 VAL HA H 1 3.895 0.020 . 1 . . . . 111 VAL HA . 15361 1 1232 . 1 1 111 111 VAL HB H 1 2.082 0.020 . 1 . . . . 111 VAL HB . 15361 1 1233 . 1 1 111 111 VAL HG11 H 1 1.091 0.020 . 2 . . . . 111 VAL HG1 . 15361 1 1234 . 1 1 111 111 VAL HG12 H 1 1.091 0.020 . 2 . . . . 111 VAL HG1 . 15361 1 1235 . 1 1 111 111 VAL HG13 H 1 1.091 0.020 . 2 . . . . 111 VAL HG1 . 15361 1 1236 . 1 1 111 111 VAL HG21 H 1 1.090 0.020 . 2 . . . . 111 VAL HG2 . 15361 1 1237 . 1 1 111 111 VAL HG22 H 1 1.090 0.020 . 2 . . . . 111 VAL HG2 . 15361 1 1238 . 1 1 111 111 VAL HG23 H 1 1.090 0.020 . 2 . . . . 111 VAL HG2 . 15361 1 1239 . 1 1 111 111 VAL C C 13 176.600 0.400 . 1 . . . . 111 VAL C . 15361 1 1240 . 1 1 111 111 VAL CA C 13 65.768 0.400 . 1 . . . . 111 VAL CA . 15361 1 1241 . 1 1 111 111 VAL CB C 13 32.328 0.400 . 1 . . . . 111 VAL CB . 15361 1 1242 . 1 1 111 111 VAL CG1 C 13 23.424 0.400 . 1 . . . . 111 VAL CG1 . 15361 1 1243 . 1 1 111 111 VAL CG2 C 13 21.940 0.400 . 1 . . . . 111 VAL CG2 . 15361 1 1244 . 1 1 111 111 VAL N N 15 117.848 0.400 . 1 . . . . 111 VAL N . 15361 1 1245 . 1 1 112 112 ALA H H 1 9.409 0.020 . 1 . . . . 112 ALA H . 15361 1 1246 . 1 1 112 112 ALA HA H 1 3.369 0.020 . 1 . . . . 112 ALA HA . 15361 1 1247 . 1 1 112 112 ALA HB1 H 1 0.881 0.020 . 1 . . . . 112 ALA HB . 15361 1 1248 . 1 1 112 112 ALA HB2 H 1 0.881 0.020 . 1 . . . . 112 ALA HB . 15361 1 1249 . 1 1 112 112 ALA HB3 H 1 0.881 0.020 . 1 . . . . 112 ALA HB . 15361 1 1250 . 1 1 112 112 ALA C C 13 176.600 0.400 . 1 . . . . 112 ALA C . 15361 1 1251 . 1 1 112 112 ALA CA C 13 54.961 0.400 . 1 . . . . 112 ALA CA . 15361 1 1252 . 1 1 112 112 ALA CB C 13 16.745 0.400 . 1 . . . . 112 ALA CB . 15361 1 1253 . 1 1 112 112 ALA N N 15 121.507 0.400 . 1 . . . . 112 ALA N . 15361 1 1254 . 1 1 113 113 ALA H H 1 8.518 0.020 . 1 . . . . 113 ALA H . 15361 1 1255 . 1 1 113 113 ALA HA H 1 3.793 0.020 . 1 . . . . 113 ALA HA . 15361 1 1256 . 1 1 113 113 ALA HB1 H 1 0.762 0.020 . 1 . . . . 113 ALA HB . 15361 1 1257 . 1 1 113 113 ALA HB2 H 1 0.762 0.020 . 1 . . . . 113 ALA HB . 15361 1 1258 . 1 1 113 113 ALA HB3 H 1 0.762 0.020 . 1 . . . . 113 ALA HB . 15361 1 1259 . 1 1 113 113 ALA C C 13 180.000 0.400 . 1 . . . . 113 ALA C . 15361 1 1260 . 1 1 113 113 ALA CA C 13 56.445 0.400 . 1 . . . . 113 ALA CA . 15361 1 1261 . 1 1 113 113 ALA CB C 13 16.745 0.400 . 1 . . . . 113 ALA CB . 15361 1 1262 . 1 1 113 113 ALA N N 15 117.848 0.400 . 1 . . . . 113 ALA N . 15361 1 1263 . 1 1 114 114 HIS H H 1 7.398 0.020 . 1 . . . . 114 HIS H . 15361 1 1264 . 1 1 114 114 HIS HA H 1 4.374 0.020 . 1 . . . . 114 HIS HA . 15361 1 1265 . 1 1 114 114 HIS HB2 H 1 3.855 0.020 . 2 . . . . 114 HIS HB2 . 15361 1 1266 . 1 1 114 114 HIS HB3 H 1 3.095 0.020 . 2 . . . . 114 HIS HB3 . 15361 1 1267 . 1 1 114 114 HIS HD1 H 1 12.702 0.020 . 1 . . . . 114 HIS HD1 . 15361 1 1268 . 1 1 114 114 HIS HD2 H 1 6.868 0.020 . 1 . . . . 114 HIS HD2 . 15361 1 1269 . 1 1 114 114 HIS C C 13 176.200 0.400 . 1 . . . . 114 HIS C . 15361 1 1270 . 1 1 114 114 HIS CA C 13 58.672 0.400 . 1 . . . . 114 HIS CA . 15361 1 1271 . 1 1 114 114 HIS CB C 13 28.618 0.400 . 1 . . . . 114 HIS CB . 15361 1 1272 . 1 1 114 114 HIS N N 15 118.152 0.400 . 1 . . . . 114 HIS N . 15361 1 1273 . 1 1 114 114 HIS ND1 N 15 172.900 0.400 . 1 . . . . 114 HIS ND1 . 15361 1 1274 . 1 1 115 115 GLU H H 1 8.764 0.020 . 1 . . . . 115 GLU H . 15361 1 1275 . 1 1 115 115 GLU HA H 1 3.834 0.020 . 1 . . . . 115 GLU HA . 15361 1 1276 . 1 1 115 115 GLU HB2 H 1 1.811 0.020 . 2 . . . . 115 GLU HB2 . 15361 1 1277 . 1 1 115 115 GLU HB3 H 1 1.504 0.020 . 2 . . . . 115 GLU HB3 . 15361 1 1278 . 1 1 115 115 GLU HG2 H 1 2.746 0.020 . 2 . . . . 115 GLU HG2 . 15361 1 1279 . 1 1 115 115 GLU HG3 H 1 1.433 0.020 . 2 . . . . 115 GLU HG3 . 15361 1 1280 . 1 1 115 115 GLU C C 13 178.900 0.400 . 1 . . . . 115 GLU C . 15361 1 1281 . 1 1 115 115 GLU CA C 13 57.930 0.400 . 1 . . . . 115 GLU CA . 15361 1 1282 . 1 1 115 115 GLU CB C 13 28.247 0.400 . 1 . . . . 115 GLU CB . 15361 1 1283 . 1 1 115 115 GLU CG C 13 32.699 0.400 . 1 . . . . 115 GLU CG . 15361 1 1284 . 1 1 115 115 GLU N N 15 116.933 0.400 . 1 . . . . 115 GLU N . 15361 1 1285 . 1 1 116 116 PHE H H 1 8.997 0.020 . 1 . . . . 116 PHE H . 15361 1 1286 . 1 1 116 116 PHE HA H 1 4.503 0.020 . 1 . . . . 116 PHE HA . 15361 1 1287 . 1 1 116 116 PHE HB2 H 1 2.737 0.020 . 2 . . . . 116 PHE HB2 . 15361 1 1288 . 1 1 116 116 PHE HB3 H 1 2.737 0.020 . 2 . . . . 116 PHE HB3 . 15361 1 1289 . 1 1 116 116 PHE HD1 H 1 6.640 0.020 . 1 . . . . 116 PHE HD1 . 15361 1 1290 . 1 1 116 116 PHE HD2 H 1 6.640 0.020 . 1 . . . . 116 PHE HD2 . 15361 1 1291 . 1 1 116 116 PHE HE1 H 1 7.079 0.020 . 1 . . . . 116 PHE HE1 . 15361 1 1292 . 1 1 116 116 PHE HE2 H 1 7.079 0.020 . 1 . . . . 116 PHE HE2 . 15361 1 1293 . 1 1 116 116 PHE C C 13 176.700 0.400 . 1 . . . . 116 PHE C . 15361 1 1294 . 1 1 116 116 PHE CA C 13 56.817 0.400 . 1 . . . . 116 PHE CA . 15361 1 1295 . 1 1 116 116 PHE CB C 13 36.410 0.400 . 1 . . . . 116 PHE CB . 15361 1 1296 . 1 1 116 116 PHE CE1 C 13 130.500 0.400 . 1 . . . . 116 PHE CE1 . 15361 1 1297 . 1 1 116 116 PHE N N 15 117.423 0.400 . 1 . . . . 116 PHE N . 15361 1 1298 . 1 1 117 117 GLY H H 1 7.548 0.020 . 1 . . . . 117 GLY H . 15361 1 1299 . 1 1 117 117 GLY HA2 H 1 2.187 0.020 . 2 . . . . 117 GLY HA2 . 15361 1 1300 . 1 1 117 117 GLY HA3 H 1 4.050 0.020 . 2 . . . . 117 GLY HA3 . 15361 1 1301 . 1 1 117 117 GLY C C 13 177.400 0.400 . 1 . . . . 117 GLY C . 15361 1 1302 . 1 1 117 117 GLY CA C 13 47.912 0.400 . 1 . . . . 117 GLY CA . 15361 1 1303 . 1 1 117 117 GLY N N 15 107.700 0.400 . 1 . . . . 117 GLY N . 15361 1 1304 . 1 1 118 118 HIS H H 1 6.959 0.020 . 1 . . . . 118 HIS H . 15361 1 1305 . 1 1 118 118 HIS HA H 1 4.859 0.020 . 1 . . . . 118 HIS HA . 15361 1 1306 . 1 1 118 118 HIS HB2 H 1 3.549 0.020 . 1 . . . . 118 HIS HB2 . 15361 1 1307 . 1 1 118 118 HIS HB3 H 1 2.488 0.020 . 1 . . . . 118 HIS HB3 . 15361 1 1308 . 1 1 118 118 HIS HD2 H 1 6.628 0.020 . 1 . . . . 118 HIS HD2 . 15361 1 1309 . 1 1 118 118 HIS C C 13 180.100 0.400 . 1 . . . . 118 HIS C . 15361 1 1310 . 1 1 118 118 HIS CA C 13 57.291 0.400 . 1 . . . . 118 HIS CA . 15361 1 1311 . 1 1 118 118 HIS CB C 13 28.247 0.400 . 1 . . . . 118 HIS CB . 15361 1 1312 . 1 1 118 118 HIS N N 15 120.287 0.400 . 1 . . . . 118 HIS N . 15361 1 1313 . 1 1 119 119 ALA H H 1 8.314 0.020 . 1 . . . . 119 ALA H . 15361 1 1314 . 1 1 119 119 ALA HA H 1 4.529 0.020 . 1 . . . . 119 ALA HA . 15361 1 1315 . 1 1 119 119 ALA HB1 H 1 1.570 0.020 . 1 . . . . 119 ALA HB . 15361 1 1316 . 1 1 119 119 ALA HB2 H 1 1.570 0.020 . 1 . . . . 119 ALA HB . 15361 1 1317 . 1 1 119 119 ALA HB3 H 1 1.570 0.020 . 1 . . . . 119 ALA HB . 15361 1 1318 . 1 1 119 119 ALA C C 13 177.700 0.400 . 1 . . . . 119 ALA C . 15361 1 1319 . 1 1 119 119 ALA CA C 13 53.477 0.400 . 1 . . . . 119 ALA CA . 15361 1 1320 . 1 1 119 119 ALA CB C 13 18.230 0.400 . 1 . . . . 119 ALA CB . 15361 1 1321 . 1 1 119 119 ALA N N 15 123.946 0.400 . 1 . . . . 119 ALA N . 15361 1 1322 . 1 1 120 120 LEU H H 1 7.246 0.020 . 1 . . . . 120 LEU H . 15361 1 1323 . 1 1 120 120 LEU HA H 1 4.487 0.020 . 1 . . . . 120 LEU HA . 15361 1 1324 . 1 1 120 120 LEU HB2 H 1 1.591 0.020 . 2 . . . . 120 LEU HB2 . 15361 1 1325 . 1 1 120 120 LEU HB3 H 1 1.520 0.020 . 2 . . . . 120 LEU HB3 . 15361 1 1326 . 1 1 120 120 LEU HD11 H 1 0.303 0.020 . 2 . . . . 120 LEU HD1 . 15361 1 1327 . 1 1 120 120 LEU HD12 H 1 0.303 0.020 . 2 . . . . 120 LEU HD1 . 15361 1 1328 . 1 1 120 120 LEU HD13 H 1 0.303 0.020 . 2 . . . . 120 LEU HD1 . 15361 1 1329 . 1 1 120 120 LEU HD21 H 1 0.708 0.020 . 2 . . . . 120 LEU HD2 . 15361 1 1330 . 1 1 120 120 LEU HD22 H 1 0.708 0.020 . 2 . . . . 120 LEU HD2 . 15361 1 1331 . 1 1 120 120 LEU HD23 H 1 0.708 0.020 . 2 . . . . 120 LEU HD2 . 15361 1 1332 . 1 1 120 120 LEU HG H 1 1.908 0.020 . 1 . . . . 120 LEU HG . 15361 1 1333 . 1 1 120 120 LEU C C 13 177.700 0.400 . 1 . . . . 120 LEU C . 15361 1 1334 . 1 1 120 120 LEU CA C 13 54.590 0.400 . 1 . . . . 120 LEU CA . 15361 1 1335 . 1 1 120 120 LEU CB C 13 42.717 0.400 . 1 . . . . 120 LEU CB . 15361 1 1336 . 1 1 120 120 LEU CD1 C 13 24.166 0.400 . 1 . . . . 120 LEU CD1 . 15361 1 1337 . 1 1 120 120 LEU CD2 C 13 22.311 0.400 . 1 . . . . 120 LEU CD2 . 15361 1 1338 . 1 1 120 120 LEU CG C 13 26.021 0.400 . 1 . . . . 120 LEU CG . 15361 1 1339 . 1 1 120 120 LEU N N 15 112.054 0.400 . 1 . . . . 120 LEU N . 15361 1 1340 . 1 1 121 121 GLY H H 1 7.944 0.020 . 1 . . . . 121 GLY H . 15361 1 1341 . 1 1 121 121 GLY HA2 H 1 3.229 0.020 . 2 . . . . 121 GLY HA2 . 15361 1 1342 . 1 1 121 121 GLY HA3 H 1 4.658 0.020 . 2 . . . . 121 GLY HA3 . 15361 1 1343 . 1 1 121 121 GLY C C 13 173.700 0.400 . 1 . . . . 121 GLY C . 15361 1 1344 . 1 1 121 121 GLY CA C 13 44.242 0.400 . 1 . . . . 121 GLY CA . 15361 1 1345 . 1 1 121 121 GLY N N 15 107.175 0.400 . 1 . . . . 121 GLY N . 15361 1 1346 . 1 1 122 122 LEU H H 1 8.388 0.020 . 1 . . . . 122 LEU H . 15361 1 1347 . 1 1 122 122 LEU HA H 1 4.331 0.020 . 1 . . . . 122 LEU HA . 15361 1 1348 . 1 1 122 122 LEU HB2 H 1 1.480 0.020 . 2 . . . . 122 LEU HB2 . 15361 1 1349 . 1 1 122 122 LEU HB3 H 1 1.100 0.020 . 2 . . . . 122 LEU HB3 . 15361 1 1350 . 1 1 122 122 LEU HD11 H 1 0.792 0.020 . 2 . . . . 122 LEU HD1 . 15361 1 1351 . 1 1 122 122 LEU HD12 H 1 0.792 0.020 . 2 . . . . 122 LEU HD1 . 15361 1 1352 . 1 1 122 122 LEU HD13 H 1 0.792 0.020 . 2 . . . . 122 LEU HD1 . 15361 1 1353 . 1 1 122 122 LEU HD21 H 1 0.652 0.020 . 2 . . . . 122 LEU HD2 . 15361 1 1354 . 1 1 122 122 LEU HD22 H 1 0.652 0.020 . 2 . . . . 122 LEU HD2 . 15361 1 1355 . 1 1 122 122 LEU HD23 H 1 0.652 0.020 . 2 . . . . 122 LEU HD2 . 15361 1 1356 . 1 1 122 122 LEU HG H 1 1.311 0.020 . 1 . . . . 122 LEU HG . 15361 1 1357 . 1 1 122 122 LEU C C 13 175.900 0.400 . 1 . . . . 122 LEU C . 15361 1 1358 . 1 1 122 122 LEU CA C 13 54.961 0.400 . 1 . . . . 122 LEU CA . 15361 1 1359 . 1 1 122 122 LEU CB C 13 41.975 0.400 . 1 . . . . 122 LEU CB . 15361 1 1360 . 1 1 122 122 LEU CD1 C 13 26.763 0.400 . 1 . . . . 122 LEU CD1 . 15361 1 1361 . 1 1 122 122 LEU CD2 C 13 21.940 0.400 . 1 . . . . 122 LEU CD2 . 15361 1 1362 . 1 1 122 122 LEU CG C 13 26.763 0.400 . 1 . . . . 122 LEU CG . 15361 1 1363 . 1 1 122 122 LEU N N 15 120.592 0.400 . 1 . . . . 122 LEU N . 15361 1 1364 . 1 1 123 123 ALA H H 1 8.232 0.020 . 1 . . . . 123 ALA H . 15361 1 1365 . 1 1 123 123 ALA HA H 1 4.473 0.020 . 1 . . . . 123 ALA HA . 15361 1 1366 . 1 1 123 123 ALA HB1 H 1 1.350 0.020 . 1 . . . . 123 ALA HB . 15361 1 1367 . 1 1 123 123 ALA HB2 H 1 1.350 0.020 . 1 . . . . 123 ALA HB . 15361 1 1368 . 1 1 123 123 ALA HB3 H 1 1.350 0.020 . 1 . . . . 123 ALA HB . 15361 1 1369 . 1 1 123 123 ALA C C 13 176.800 0.400 . 1 . . . . 123 ALA C . 15361 1 1370 . 1 1 123 123 ALA CA C 13 49.025 0.400 . 1 . . . . 123 ALA CA . 15361 1 1371 . 1 1 123 123 ALA CB C 13 20.455 0.400 . 1 . . . . 123 ALA CB . 15361 1 1372 . 1 1 123 123 ALA N N 15 124.251 0.400 . 1 . . . . 123 ALA N . 15361 1 1373 . 1 1 124 124 HIS H H 1 8.073 0.020 . 1 . . . . 124 HIS H . 15361 1 1374 . 1 1 124 124 HIS HA H 1 4.876 0.020 . 1 . . . . 124 HIS HA . 15361 1 1375 . 1 1 124 124 HIS HB2 H 1 3.029 0.020 . 2 . . . . 124 HIS HB2 . 15361 1 1376 . 1 1 124 124 HIS HB3 H 1 2.876 0.020 . 2 . . . . 124 HIS HB3 . 15361 1 1377 . 1 1 124 124 HIS HD1 H 1 13.130 0.020 . 1 . . . . 124 HIS HD1 . 15361 1 1378 . 1 1 124 124 HIS HD2 H 1 6.653 0.020 . 1 . . . . 124 HIS HD2 . 15361 1 1379 . 1 1 124 124 HIS HE1 H 1 8.010 0.020 . 1 . . . . 124 HIS HE1 . 15361 1 1380 . 1 1 124 124 HIS C C 13 174.800 0.400 . 1 . . . . 124 HIS C . 15361 1 1381 . 1 1 124 124 HIS CA C 13 55.703 0.400 . 1 . . . . 124 HIS CA . 15361 1 1382 . 1 1 124 124 HIS CB C 13 28.989 0.400 . 1 . . . . 124 HIS CB . 15361 1 1383 . 1 1 124 124 HIS N N 15 114.798 0.400 . 1 . . . . 124 HIS N . 15361 1 1384 . 1 1 124 124 HIS ND1 N 15 172.200 0.400 . 1 . . . . 124 HIS ND1 . 15361 1 1385 . 1 1 124 124 HIS NE2 N 15 217.000 0.400 . 1 . . . . 124 HIS NE2 . 15361 1 1386 . 1 1 125 125 SER H H 1 6.890 0.020 . 1 . . . . 125 SER H . 15361 1 1387 . 1 1 125 125 SER HA H 1 4.717 0.020 . 1 . . . . 125 SER HA . 15361 1 1388 . 1 1 125 125 SER HB2 H 1 4.169 0.020 . 2 . . . . 125 SER HB2 . 15361 1 1389 . 1 1 125 125 SER HB3 H 1 3.119 0.020 . 2 . . . . 125 SER HB3 . 15361 1 1390 . 1 1 125 125 SER C C 13 175.700 0.400 . 1 . . . . 125 SER C . 15361 1 1391 . 1 1 125 125 SER CA C 13 54.590 0.400 . 1 . . . . 125 SER CA . 15361 1 1392 . 1 1 125 125 SER CB C 13 64.979 0.400 . 1 . . . . 125 SER CB . 15361 1 1393 . 1 1 125 125 SER N N 15 114.188 0.400 . 1 . . . . 125 SER N . 15361 1 1394 . 1 1 126 126 THR H H 1 8.627 0.020 . 1 . . . . 126 THR H . 15361 1 1395 . 1 1 126 126 THR HA H 1 4.736 0.020 . 1 . . . . 126 THR HA . 15361 1 1396 . 1 1 126 126 THR HB H 1 4.498 0.020 . 1 . . . . 126 THR HB . 15361 1 1397 . 1 1 126 126 THR HG21 H 1 1.204 0.020 . 1 . . . . 126 THR HG2 . 15361 1 1398 . 1 1 126 126 THR HG22 H 1 1.204 0.020 . 1 . . . . 126 THR HG2 . 15361 1 1399 . 1 1 126 126 THR HG23 H 1 1.204 0.020 . 1 . . . . 126 THR HG2 . 15361 1 1400 . 1 1 126 126 THR C C 13 173.800 0.400 . 1 . . . . 126 THR C . 15361 1 1401 . 1 1 126 126 THR CA C 13 61.568 0.400 . 1 . . . . 126 THR CA . 15361 1 1402 . 1 1 126 126 THR CB C 13 68.929 0.400 . 1 . . . . 126 THR CB . 15361 1 1403 . 1 1 126 126 THR N N 15 115.103 0.400 . 1 . . . . 126 THR N . 15361 1 1404 . 1 1 127 127 ASP H H 1 8.836 0.020 . 1 . . . . 127 ASP H . 15361 1 1405 . 1 1 127 127 ASP HA H 1 4.753 0.020 . 1 . . . . 127 ASP HA . 15361 1 1406 . 1 1 127 127 ASP HB2 H 1 2.858 0.020 . 1 . . . . 127 ASP HB2 . 15361 1 1407 . 1 1 127 127 ASP HB3 H 1 2.362 0.020 . 1 . . . . 127 ASP HB3 . 15361 1 1408 . 1 1 127 127 ASP C C 13 174.300 0.400 . 1 . . . . 127 ASP C . 15361 1 1409 . 1 1 127 127 ASP CA C 13 50.575 0.400 . 1 . . . . 127 ASP CA . 15361 1 1410 . 1 1 127 127 ASP CB C 13 41.233 0.400 . 1 . . . . 127 ASP CB . 15361 1 1411 . 1 1 127 127 ASP N N 15 126.691 0.400 . 1 . . . . 127 ASP N . 15361 1 1412 . 1 1 128 128 PRO HA H 1 2.385 0.020 . 1 . . . . 128 PRO HA . 15361 1 1413 . 1 1 128 128 PRO HB2 H 1 1.539 0.020 . 2 . . . . 128 PRO HB2 . 15361 1 1414 . 1 1 128 128 PRO HB3 H 1 1.539 0.020 . 2 . . . . 128 PRO HB3 . 15361 1 1415 . 1 1 128 128 PRO HD2 H 1 4.142 0.020 . 2 . . . . 128 PRO HD2 . 15361 1 1416 . 1 1 128 128 PRO HD3 H 1 3.580 0.020 . 2 . . . . 128 PRO HD3 . 15361 1 1417 . 1 1 128 128 PRO HG2 H 1 1.926 0.020 . 2 . . . . 128 PRO HG2 . 15361 1 1418 . 1 1 128 128 PRO HG3 H 1 1.775 0.020 . 2 . . . . 128 PRO HG3 . 15361 1 1419 . 1 1 128 128 PRO CA C 13 62.382 0.400 . 1 . . . . 128 PRO CA . 15361 1 1420 . 1 1 128 128 PRO CB C 13 31.586 0.400 . 1 . . . . 128 PRO CB . 15361 1 1421 . 1 1 128 128 PRO CD C 13 50.880 0.400 . 1 . . . . 128 PRO CD . 15361 1 1422 . 1 1 128 128 PRO CG C 13 26.763 0.400 . 1 . . . . 128 PRO CG . 15361 1 1423 . 1 1 129 129 SER H H 1 8.558 0.020 . 1 . . . . 129 SER H . 15361 1 1424 . 1 1 129 129 SER HA H 1 4.324 0.020 . 1 . . . . 129 SER HA . 15361 1 1425 . 1 1 129 129 SER HB2 H 1 3.939 0.020 . 1 . . . . 129 SER HB2 . 15361 1 1426 . 1 1 129 129 SER HB3 H 1 3.500 0.020 . 1 . . . . 129 SER HB3 . 15361 1 1427 . 1 1 129 129 SER C C 13 173.800 0.400 . 1 . . . . 129 SER C . 15361 1 1428 . 1 1 129 129 SER CA C 13 58.672 0.400 . 1 . . . . 129 SER CA . 15361 1 1429 . 1 1 129 129 SER CB C 13 64.158 0.400 . 1 . . . . 129 SER CB . 15361 1 1430 . 1 1 129 129 SER N N 15 115.103 0.400 . 1 . . . . 129 SER N . 15361 1 1431 . 1 1 130 130 ALA H H 1 7.998 0.020 . 1 . . . . 130 ALA H . 15361 1 1432 . 1 1 130 130 ALA HA H 1 4.351 0.020 . 1 . . . . 130 ALA HA . 15361 1 1433 . 1 1 130 130 ALA HB1 H 1 1.739 0.020 . 1 . . . . 130 ALA HB . 15361 1 1434 . 1 1 130 130 ALA HB2 H 1 1.739 0.020 . 1 . . . . 130 ALA HB . 15361 1 1435 . 1 1 130 130 ALA HB3 H 1 1.739 0.020 . 1 . . . . 130 ALA HB . 15361 1 1436 . 1 1 130 130 ALA C C 13 179.900 0.400 . 1 . . . . 130 ALA C . 15361 1 1437 . 1 1 130 130 ALA CA C 13 51.622 0.400 . 1 . . . . 130 ALA CA . 15361 1 1438 . 1 1 130 130 ALA CB C 13 20.087 0.400 . 1 . . . . 130 ALA CB . 15361 1 1439 . 1 1 130 130 ALA N N 15 125.471 0.400 . 1 . . . . 130 ALA N . 15361 1 1440 . 1 1 131 131 LEU H H 1 6.907 0.020 . 1 . . . . 131 LEU H . 15361 1 1441 . 1 1 131 131 LEU HA H 1 4.190 0.020 . 1 . . . . 131 LEU HA . 15361 1 1442 . 1 1 131 131 LEU HB2 H 1 1.656 0.020 . 2 . . . . 131 LEU HB2 . 15361 1 1443 . 1 1 131 131 LEU HB3 H 1 1.525 0.020 . 2 . . . . 131 LEU HB3 . 15361 1 1444 . 1 1 131 131 LEU HD11 H 1 0.835 0.020 . 2 . . . . 131 LEU HD1 . 15361 1 1445 . 1 1 131 131 LEU HD12 H 1 0.835 0.020 . 2 . . . . 131 LEU HD1 . 15361 1 1446 . 1 1 131 131 LEU HD13 H 1 0.835 0.020 . 2 . . . . 131 LEU HD1 . 15361 1 1447 . 1 1 131 131 LEU HD21 H 1 0.756 0.020 . 2 . . . . 131 LEU HD2 . 15361 1 1448 . 1 1 131 131 LEU HD22 H 1 0.756 0.020 . 2 . . . . 131 LEU HD2 . 15361 1 1449 . 1 1 131 131 LEU HD23 H 1 0.756 0.020 . 2 . . . . 131 LEU HD2 . 15361 1 1450 . 1 1 131 131 LEU HG H 1 1.638 0.020 . 1 . . . . 131 LEU HG . 15361 1 1451 . 1 1 131 131 LEU CA C 13 57.559 0.400 . 1 . . . . 131 LEU CA . 15361 1 1452 . 1 1 131 131 LEU CB C 13 42.717 0.400 . 1 . . . . 131 LEU CB . 15361 1 1453 . 1 1 131 131 LEU CD1 C 13 24.537 0.400 . 1 . . . . 131 LEU CD1 . 15361 1 1454 . 1 1 131 131 LEU CD2 C 13 25.279 0.400 . 1 . . . . 131 LEU CD2 . 15361 1 1455 . 1 1 131 131 LEU CG C 13 27.134 0.400 . 1 . . . . 131 LEU CG . 15361 1 1456 . 1 1 132 132 MET H H 1 8.316 0.020 . 1 . . . . 132 MET H . 15361 1 1457 . 1 1 132 132 MET HA H 1 4.471 0.020 . 1 . . . . 132 MET HA . 15361 1 1458 . 1 1 132 132 MET HB2 H 1 2.460 0.020 . 1 . . . . 132 MET HB2 . 15361 1 1459 . 1 1 132 132 MET HB3 H 1 2.192 0.020 . 1 . . . . 132 MET HB3 . 15361 1 1460 . 1 1 132 132 MET HE1 H 1 0.294 0.020 . 1 . . . . 132 MET HE . 15361 1 1461 . 1 1 132 132 MET HE2 H 1 0.294 0.020 . 1 . . . . 132 MET HE . 15361 1 1462 . 1 1 132 132 MET HE3 H 1 0.294 0.020 . 1 . . . . 132 MET HE . 15361 1 1463 . 1 1 132 132 MET HG2 H 1 2.982 0.020 . 2 . . . . 132 MET HG2 . 15361 1 1464 . 1 1 132 132 MET HG3 H 1 2.600 0.020 . 2 . . . . 132 MET HG3 . 15361 1 1465 . 1 1 132 132 MET CA C 13 53.137 0.400 . 1 . . . . 132 MET CA . 15361 1 1466 . 1 1 132 132 MET CB C 13 26.763 0.400 . 1 . . . . 132 MET CB . 15361 1 1467 . 1 1 132 132 MET CE C 13 10.809 0.400 . 1 . . . . 132 MET CE . 15361 1 1468 . 1 1 132 132 MET CG C 13 30.102 0.400 . 1 . . . . 132 MET CG . 15361 1 1469 . 1 1 132 132 MET N N 15 112.100 0.400 . 1 . . . . 132 MET N . 15361 1 1470 . 1 1 133 133 TYR H H 1 7.769 0.020 . 1 . . . . 133 TYR H . 15361 1 1471 . 1 1 133 133 TYR HA H 1 4.939 0.020 . 1 . . . . 133 TYR HA . 15361 1 1472 . 1 1 133 133 TYR HB2 H 1 3.498 0.020 . 2 . . . . 133 TYR HB2 . 15361 1 1473 . 1 1 133 133 TYR HB3 H 1 3.070 0.020 . 2 . . . . 133 TYR HB3 . 15361 1 1474 . 1 1 133 133 TYR HD1 H 1 7.100 0.020 . 1 . . . . 133 TYR HD1 . 15361 1 1475 . 1 1 133 133 TYR HD2 H 1 7.100 0.020 . 1 . . . . 133 TYR HD2 . 15361 1 1476 . 1 1 133 133 TYR HE1 H 1 6.652 0.020 . 1 . . . . 133 TYR HE1 . 15361 1 1477 . 1 1 133 133 TYR HE2 H 1 6.652 0.020 . 1 . . . . 133 TYR HE2 . 15361 1 1478 . 1 1 133 133 TYR CA C 13 56.445 0.400 . 1 . . . . 133 TYR CA . 15361 1 1479 . 1 1 133 133 TYR CB C 13 39.007 0.400 . 1 . . . . 133 TYR CB . 15361 1 1480 . 1 1 133 133 TYR N N 15 128.200 0.400 . 1 . . . . 133 TYR N . 15361 1 1481 . 1 1 134 134 PRO HA H 1 3.853 0.020 . 1 . . . . 134 PRO HA . 15361 1 1482 . 1 1 134 134 PRO HB2 H 1 2.027 0.020 . 2 . . . . 134 PRO HB2 . 15361 1 1483 . 1 1 134 134 PRO HB3 H 1 1.958 0.020 . 2 . . . . 134 PRO HB3 . 15361 1 1484 . 1 1 134 134 PRO HD2 H 1 3.577 0.020 . 2 . . . . 134 PRO HD2 . 15361 1 1485 . 1 1 134 134 PRO HD3 H 1 3.517 0.020 . 2 . . . . 134 PRO HD3 . 15361 1 1486 . 1 1 134 134 PRO HG2 H 1 2.178 0.020 . 2 . . . . 134 PRO HG2 . 15361 1 1487 . 1 1 134 134 PRO HG3 H 1 1.683 0.020 . 2 . . . . 134 PRO HG3 . 15361 1 1488 . 1 1 134 134 PRO CA C 13 63.669 0.400 . 1 . . . . 134 PRO CA . 15361 1 1489 . 1 1 134 134 PRO CB C 13 27.670 0.400 . 1 . . . . 134 PRO CB . 15361 1 1490 . 1 1 134 134 PRO CD C 13 49.072 0.400 . 1 . . . . 134 PRO CD . 15361 1 1491 . 1 1 134 134 PRO CG C 13 31.957 0.400 . 1 . . . . 134 PRO CG . 15361 1 1492 . 1 1 135 135 THR H H 1 7.197 0.020 . 1 . . . . 135 THR H . 15361 1 1493 . 1 1 135 135 THR HA H 1 4.516 0.020 . 1 . . . . 135 THR HA . 15361 1 1494 . 1 1 135 135 THR HB H 1 3.960 0.020 . 1 . . . . 135 THR HB . 15361 1 1495 . 1 1 135 135 THR HG21 H 1 1.214 0.020 . 1 . . . . 135 THR HG2 . 15361 1 1496 . 1 1 135 135 THR HG22 H 1 1.214 0.020 . 1 . . . . 135 THR HG2 . 15361 1 1497 . 1 1 135 135 THR HG23 H 1 1.214 0.020 . 1 . . . . 135 THR HG2 . 15361 1 1498 . 1 1 135 135 THR C C 13 173.700 0.400 . 1 . . . . 135 THR C . 15361 1 1499 . 1 1 135 135 THR CA C 13 61.640 0.400 . 1 . . . . 135 THR CA . 15361 1 1500 . 1 1 135 135 THR CB C 13 70.916 0.400 . 1 . . . . 135 THR CB . 15361 1 1501 . 1 1 135 135 THR CG2 C 13 21.880 0.400 . 1 . . . . 135 THR CG2 . 15361 1 1502 . 1 1 135 135 THR N N 15 115.103 0.400 . 1 . . . . 135 THR N . 15361 1 1503 . 1 1 136 136 TYR H H 1 9.358 0.020 . 1 . . . . 136 TYR H . 15361 1 1504 . 1 1 136 136 TYR HA H 1 4.022 0.020 . 1 . . . . 136 TYR HA . 15361 1 1505 . 1 1 136 136 TYR HB2 H 1 2.936 0.020 . 2 . . . . 136 TYR HB2 . 15361 1 1506 . 1 1 136 136 TYR HB3 H 1 2.500 0.020 . 2 . . . . 136 TYR HB3 . 15361 1 1507 . 1 1 136 136 TYR HD1 H 1 6.676 0.020 . 1 . . . . 136 TYR HD1 . 15361 1 1508 . 1 1 136 136 TYR HD2 H 1 6.676 0.020 . 1 . . . . 136 TYR HD2 . 15361 1 1509 . 1 1 136 136 TYR HE1 H 1 6.970 0.020 . 1 . . . . 136 TYR HE1 . 15361 1 1510 . 1 1 136 136 TYR HE2 H 1 6.970 0.020 . 1 . . . . 136 TYR HE2 . 15361 1 1511 . 1 1 136 136 TYR C C 13 173.700 0.400 . 1 . . . . 136 TYR C . 15361 1 1512 . 1 1 136 136 TYR CA C 13 60.898 0.400 . 1 . . . . 136 TYR CA . 15361 1 1513 . 1 1 136 136 TYR CB C 13 37.523 0.400 . 1 . . . . 136 TYR CB . 15361 1 1514 . 1 1 136 136 TYR N N 15 126.081 0.400 . 1 . . . . 136 TYR N . 15361 1 1515 . 1 1 137 137 LYS H H 1 6.921 0.020 . 1 . . . . 137 LYS H . 15361 1 1516 . 1 1 137 137 LYS HA H 1 3.892 0.020 . 1 . . . . 137 LYS HA . 15361 1 1517 . 1 1 137 137 LYS HB2 H 1 1.581 0.020 . 2 . . . . 137 LYS HB2 . 15361 1 1518 . 1 1 137 137 LYS HB3 H 1 1.542 0.020 . 2 . . . . 137 LYS HB3 . 15361 1 1519 . 1 1 137 137 LYS HD2 H 1 1.657 0.020 . 2 . . . . 137 LYS HD2 . 15361 1 1520 . 1 1 137 137 LYS HD3 H 1 1.657 0.020 . 2 . . . . 137 LYS HD3 . 15361 1 1521 . 1 1 137 137 LYS HE2 H 1 2.927 0.020 . 2 . . . . 137 LYS HE2 . 15361 1 1522 . 1 1 137 137 LYS HE3 H 1 2.927 0.020 . 2 . . . . 137 LYS HE3 . 15361 1 1523 . 1 1 137 137 LYS C C 13 173.700 0.400 . 1 . . . . 137 LYS C . 15361 1 1524 . 1 1 137 137 LYS CA C 13 55.332 0.400 . 1 . . . . 137 LYS CA . 15361 1 1525 . 1 1 137 137 LYS CB C 13 34.926 0.400 . 1 . . . . 137 LYS CB . 15361 1 1526 . 1 1 137 137 LYS CD C 13 28.991 0.400 . 1 . . . . 137 LYS CD . 15361 1 1527 . 1 1 137 137 LYS CE C 13 41.975 0.400 . 1 . . . . 137 LYS CE . 15361 1 1528 . 1 1 137 137 LYS CG C 13 24.600 0.400 . 1 . . . . 137 LYS CG . 15361 1 1529 . 1 1 137 137 LYS N N 15 129.435 0.400 . 1 . . . . 137 LYS N . 15361 1 1530 . 1 1 138 138 TYR H H 1 8.342 0.020 . 1 . . . . 138 TYR H . 15361 1 1531 . 1 1 138 138 TYR HA H 1 3.823 0.020 . 1 . . . . 138 TYR HA . 15361 1 1532 . 1 1 138 138 TYR HB2 H 1 3.146 0.020 . 2 . . . . 138 TYR HB2 . 15361 1 1533 . 1 1 138 138 TYR HB3 H 1 2.581 0.020 . 2 . . . . 138 TYR HB3 . 15361 1 1534 . 1 1 138 138 TYR HD1 H 1 6.864 0.020 . 1 . . . . 138 TYR HD1 . 15361 1 1535 . 1 1 138 138 TYR HD2 H 1 6.864 0.020 . 1 . . . . 138 TYR HD2 . 15361 1 1536 . 1 1 138 138 TYR HE1 H 1 6.632 0.020 . 1 . . . . 138 TYR HE1 . 15361 1 1537 . 1 1 138 138 TYR HE2 H 1 6.632 0.020 . 1 . . . . 138 TYR HE2 . 15361 1 1538 . 1 1 138 138 TYR C C 13 174.000 0.400 . 1 . . . . 138 TYR C . 15361 1 1539 . 1 1 138 138 TYR CA C 13 59.793 0.400 . 1 . . . . 138 TYR CA . 15361 1 1540 . 1 1 138 138 TYR CB C 13 38.636 0.400 . 1 . . . . 138 TYR CB . 15361 1 1541 . 1 1 138 138 TYR N N 15 124.251 0.400 . 1 . . . . 138 TYR N . 15361 1 1542 . 1 1 139 139 LYS H H 1 7.472 0.020 . 1 . . . . 139 LYS H . 15361 1 1543 . 1 1 139 139 LYS HA H 1 4.038 0.020 . 1 . . . . 139 LYS HA . 15361 1 1544 . 1 1 139 139 LYS HB2 H 1 1.656 0.020 . 2 . . . . 139 LYS HB2 . 15361 1 1545 . 1 1 139 139 LYS HB3 H 1 1.453 0.020 . 2 . . . . 139 LYS HB3 . 15361 1 1546 . 1 1 139 139 LYS HD2 H 1 1.750 0.020 . 2 . . . . 139 LYS HD2 . 15361 1 1547 . 1 1 139 139 LYS HD3 H 1 1.750 0.020 . 2 . . . . 139 LYS HD3 . 15361 1 1548 . 1 1 139 139 LYS HE2 H 1 2.925 0.020 . 2 . . . . 139 LYS HE2 . 15361 1 1549 . 1 1 139 139 LYS HE3 H 1 2.925 0.020 . 2 . . . . 139 LYS HE3 . 15361 1 1550 . 1 1 139 139 LYS HG2 H 1 1.616 0.020 . 2 . . . . 139 LYS HG2 . 15361 1 1551 . 1 1 139 139 LYS HG3 H 1 1.507 0.020 . 2 . . . . 139 LYS HG3 . 15361 1 1552 . 1 1 139 139 LYS C C 13 171.500 0.400 . 1 . . . . 139 LYS C . 15361 1 1553 . 1 1 139 139 LYS CA C 13 53.106 0.400 . 1 . . . . 139 LYS CA . 15361 1 1554 . 1 1 139 139 LYS CB C 13 33.442 0.400 . 1 . . . . 139 LYS CB . 15361 1 1555 . 1 1 139 139 LYS CD C 13 28.618 0.400 . 1 . . . . 139 LYS CD . 15361 1 1556 . 1 1 139 139 LYS CE C 13 41.965 0.400 . 1 . . . . 139 LYS CE . 15361 1 1557 . 1 1 139 139 LYS CG C 13 24.537 0.400 . 1 . . . . 139 LYS CG . 15361 1 1558 . 1 1 139 139 LYS N N 15 129.435 0.400 . 1 . . . . 139 LYS N . 15361 1 1559 . 1 1 140 140 ASN H H 1 7.476 0.020 . 1 . . . . 140 ASN H . 15361 1 1560 . 1 1 140 140 ASN HA H 1 4.333 0.020 . 1 . . . . 140 ASN HA . 15361 1 1561 . 1 1 140 140 ASN HB2 H 1 2.875 0.020 . 2 . . . . 140 ASN HB2 . 15361 1 1562 . 1 1 140 140 ASN HB3 H 1 2.659 0.020 . 2 . . . . 140 ASN HB3 . 15361 1 1563 . 1 1 140 140 ASN C C 13 174.900 0.400 . 1 . . . . 140 ASN C . 15361 1 1564 . 1 1 140 140 ASN CA C 13 49.767 0.400 . 1 . . . . 140 ASN CA . 15361 1 1565 . 1 1 140 140 ASN CB C 13 38.636 0.400 . 1 . . . . 140 ASN CB . 15361 1 1566 . 1 1 140 140 ASN N N 15 118.762 0.400 . 1 . . . . 140 ASN N . 15361 1 1567 . 1 1 141 141 PRO HA H 1 2.787 0.020 . 1 . . . . 141 PRO HA . 15361 1 1568 . 1 1 141 141 PRO HB2 H 1 0.837 0.020 . 2 . . . . 141 PRO HB2 . 15361 1 1569 . 1 1 141 141 PRO HB3 H 1 0.330 0.020 . 2 . . . . 141 PRO HB3 . 15361 1 1570 . 1 1 141 141 PRO HD2 H 1 3.901 0.020 . 2 . . . . 141 PRO HD2 . 15361 1 1571 . 1 1 141 141 PRO HD3 H 1 3.901 0.020 . 2 . . . . 141 PRO HD3 . 15361 1 1572 . 1 1 141 141 PRO HG2 H 1 1.561 0.020 . 2 . . . . 141 PRO HG2 . 15361 1 1573 . 1 1 141 141 PRO HG3 H 1 1.561 0.020 . 2 . . . . 141 PRO HG3 . 15361 1 1574 . 1 1 141 141 PRO CA C 13 63.800 0.400 . 1 . . . . 141 PRO CA . 15361 1 1575 . 1 1 141 141 PRO CB C 13 30.085 0.400 . 1 . . . . 141 PRO CB . 15361 1 1576 . 1 1 141 141 PRO CD C 13 50.138 0.400 . 1 . . . . 141 PRO CD . 15361 1 1577 . 1 1 141 141 PRO CG C 13 26.000 0.400 . 1 . . . . 141 PRO CG . 15361 1 1578 . 1 1 142 142 TYR H H 1 7.515 0.020 . 1 . . . . 142 TYR H . 15361 1 1579 . 1 1 142 142 TYR HA H 1 4.099 0.020 . 1 . . . . 142 TYR HA . 15361 1 1580 . 1 1 142 142 TYR HB2 H 1 2.822 0.020 . 2 . . . . 142 TYR HB2 . 15361 1 1581 . 1 1 142 142 TYR HB3 H 1 2.740 0.020 . 2 . . . . 142 TYR HB3 . 15361 1 1582 . 1 1 142 142 TYR HD1 H 1 7.091 0.020 . 1 . . . . 142 TYR HD1 . 15361 1 1583 . 1 1 142 142 TYR HD2 H 1 7.091 0.020 . 1 . . . . 142 TYR HD2 . 15361 1 1584 . 1 1 142 142 TYR HE1 H 1 6.710 0.020 . 1 . . . . 142 TYR HE1 . 15361 1 1585 . 1 1 142 142 TYR HE2 H 1 6.710 0.020 . 1 . . . . 142 TYR HE2 . 15361 1 1586 . 1 1 142 142 TYR C C 13 176.100 0.400 . 1 . . . . 142 TYR C . 15361 1 1587 . 1 1 142 142 TYR CA C 13 58.672 0.400 . 1 . . . . 142 TYR CA . 15361 1 1588 . 1 1 142 142 TYR CB C 13 36.424 0.400 . 1 . . . . 142 TYR CB . 15361 1 1589 . 1 1 142 142 TYR N N 15 117.543 0.400 . 1 . . . . 142 TYR N . 15361 1 1590 . 1 1 143 143 GLY H H 1 8.610 0.020 . 1 . . . . 143 GLY H . 15361 1 1591 . 1 1 143 143 GLY HA2 H 1 3.510 0.020 . 2 . . . . 143 GLY HA2 . 15361 1 1592 . 1 1 143 143 GLY HA3 H 1 3.773 0.020 . 2 . . . . 143 GLY HA3 . 15361 1 1593 . 1 1 143 143 GLY C C 13 173.800 0.400 . 1 . . . . 143 GLY C . 15361 1 1594 . 1 1 143 143 GLY CA C 13 44.979 0.400 . 1 . . . . 143 GLY CA . 15361 1 1595 . 1 1 143 143 GLY N N 15 115.713 0.400 . 1 . . . . 143 GLY N . 15361 1 1596 . 1 1 144 144 PHE H H 1 6.898 0.020 . 1 . . . . 144 PHE H . 15361 1 1597 . 1 1 144 144 PHE HA H 1 4.068 0.020 . 1 . . . . 144 PHE HA . 15361 1 1598 . 1 1 144 144 PHE HB2 H 1 3.326 0.020 . 2 . . . . 144 PHE HB2 . 15361 1 1599 . 1 1 144 144 PHE HB3 H 1 2.434 0.020 . 2 . . . . 144 PHE HB3 . 15361 1 1600 . 1 1 144 144 PHE HD1 H 1 7.060 0.020 . 1 . . . . 144 PHE HD1 . 15361 1 1601 . 1 1 144 144 PHE HD2 H 1 7.060 0.020 . 1 . . . . 144 PHE HD2 . 15361 1 1602 . 1 1 144 144 PHE HE1 H 1 6.271 0.020 . 1 . . . . 144 PHE HE1 . 15361 1 1603 . 1 1 144 144 PHE HE2 H 1 6.271 0.020 . 1 . . . . 144 PHE HE2 . 15361 1 1604 . 1 1 144 144 PHE HZ H 1 5.700 0.020 . 1 . . . . 144 PHE HZ . 15361 1 1605 . 1 1 144 144 PHE C C 13 175.100 0.400 . 1 . . . . 144 PHE C . 15361 1 1606 . 1 1 144 144 PHE CA C 13 59.247 0.400 . 1 . . . . 144 PHE CA . 15361 1 1607 . 1 1 144 144 PHE CB C 13 39.378 0.400 . 1 . . . . 144 PHE CB . 15361 1 1608 . 1 1 144 144 PHE N N 15 119.372 0.400 . 1 . . . . 144 PHE N . 15361 1 1609 . 1 1 145 145 HIS H H 1 7.088 0.020 . 1 . . . . 145 HIS H . 15361 1 1610 . 1 1 145 145 HIS HA H 1 4.280 0.020 . 1 . . . . 145 HIS HA . 15361 1 1611 . 1 1 145 145 HIS HB2 H 1 2.786 0.020 . 1 . . . . 145 HIS HB2 . 15361 1 1612 . 1 1 145 145 HIS HB3 H 1 2.588 0.020 . 1 . . . . 145 HIS HB3 . 15361 1 1613 . 1 1 145 145 HIS HD2 H 1 6.825 0.020 . 1 . . . . 145 HIS HD2 . 15361 1 1614 . 1 1 145 145 HIS HE1 H 1 6.902 0.020 . 1 . . . . 145 HIS HE1 . 15361 1 1615 . 1 1 145 145 HIS C C 13 172.200 0.400 . 1 . . . . 145 HIS C . 15361 1 1616 . 1 1 145 145 HIS CA C 13 53.477 0.400 . 1 . . . . 145 HIS CA . 15361 1 1617 . 1 1 145 145 HIS CB C 13 31.900 0.400 . 1 . . . . 145 HIS CB . 15361 1 1618 . 1 1 145 145 HIS N N 15 124.401 0.400 . 1 . . . . 145 HIS N . 15361 1 1619 . 1 1 145 145 HIS ND1 N 15 172.900 0.400 . 1 . . . . 145 HIS ND1 . 15361 1 1620 . 1 1 145 145 HIS NE2 N 15 214.300 0.400 . 1 . . . . 145 HIS NE2 . 15361 1 1621 . 1 1 146 146 LEU H H 1 8.161 0.020 . 1 . . . . 146 LEU H . 15361 1 1622 . 1 1 146 146 LEU HA H 1 3.814 0.020 . 1 . . . . 146 LEU HA . 15361 1 1623 . 1 1 146 146 LEU HB2 H 1 1.322 0.020 . 2 . . . . 146 LEU HB2 . 15361 1 1624 . 1 1 146 146 LEU HB3 H 1 1.215 0.020 . 2 . . . . 146 LEU HB3 . 15361 1 1625 . 1 1 146 146 LEU HD11 H 1 0.197 0.020 . 2 . . . . 146 LEU HD1 . 15361 1 1626 . 1 1 146 146 LEU HD12 H 1 0.197 0.020 . 2 . . . . 146 LEU HD1 . 15361 1 1627 . 1 1 146 146 LEU HD13 H 1 0.197 0.020 . 2 . . . . 146 LEU HD1 . 15361 1 1628 . 1 1 146 146 LEU HD21 H 1 0.222 0.020 . 2 . . . . 146 LEU HD2 . 15361 1 1629 . 1 1 146 146 LEU HD22 H 1 0.222 0.020 . 2 . . . . 146 LEU HD2 . 15361 1 1630 . 1 1 146 146 LEU HD23 H 1 0.222 0.020 . 2 . . . . 146 LEU HD2 . 15361 1 1631 . 1 1 146 146 LEU HG H 1 0.820 0.020 . 1 . . . . 146 LEU HG . 15361 1 1632 . 1 1 146 146 LEU C C 13 172.100 0.400 . 1 . . . . 146 LEU C . 15361 1 1633 . 1 1 146 146 LEU CA C 13 53.106 0.400 . 1 . . . . 146 LEU CA . 15361 1 1634 . 1 1 146 146 LEU CB C 13 42.669 0.400 . 1 . . . . 146 LEU CB . 15361 1 1635 . 1 1 146 146 LEU CD1 C 13 24.908 0.400 . 1 . . . . 146 LEU CD1 . 15361 1 1636 . 1 1 146 146 LEU CD2 C 13 23.795 0.400 . 1 . . . . 146 LEU CD2 . 15361 1 1637 . 1 1 146 146 LEU CG C 13 25.705 0.400 . 1 . . . . 146 LEU CG . 15361 1 1638 . 1 1 146 146 LEU N N 15 124.556 0.400 . 1 . . . . 146 LEU N . 15361 1 1639 . 1 1 147 147 PRO HA H 1 4.202 0.020 . 1 . . . . 147 PRO HA . 15361 1 1640 . 1 1 147 147 PRO HB2 H 1 2.284 0.020 . 2 . . . . 147 PRO HB2 . 15361 1 1641 . 1 1 147 147 PRO HB3 H 1 2.324 0.020 . 2 . . . . 147 PRO HB3 . 15361 1 1642 . 1 1 147 147 PRO HD2 H 1 3.883 0.020 . 2 . . . . 147 PRO HD2 . 15361 1 1643 . 1 1 147 147 PRO HD3 H 1 4.103 0.020 . 2 . . . . 147 PRO HD3 . 15361 1 1644 . 1 1 147 147 PRO HG2 H 1 2.029 0.020 . 1 . . . . 147 PRO HG2 . 15361 1 1645 . 1 1 147 147 PRO HG3 H 1 1.856 0.020 . 1 . . . . 147 PRO HG3 . 15361 1 1646 . 1 1 147 147 PRO CA C 13 62.382 0.400 . 1 . . . . 147 PRO CA . 15361 1 1647 . 1 1 147 147 PRO CB C 13 33.070 0.400 . 1 . . . . 147 PRO CB . 15361 1 1648 . 1 1 147 147 PRO CD C 13 50.880 0.400 . 1 . . . . 147 PRO CD . 15361 1 1649 . 1 1 147 147 PRO CG C 13 27.876 0.400 . 1 . . . . 147 PRO CG . 15361 1 1650 . 1 1 148 148 LYS H H 1 8.355 0.020 . 1 . . . . 148 LYS H . 15361 1 1651 . 1 1 148 148 LYS HA H 1 3.803 0.020 . 1 . . . . 148 LYS HA . 15361 1 1652 . 1 1 148 148 LYS HB2 H 1 1.809 0.020 . 2 . . . . 148 LYS HB2 . 15361 1 1653 . 1 1 148 148 LYS HB3 H 1 1.749 0.020 . 2 . . . . 148 LYS HB3 . 15361 1 1654 . 1 1 148 148 LYS HD2 H 1 1.630 0.020 . 2 . . . . 148 LYS HD2 . 15361 1 1655 . 1 1 148 148 LYS HD3 H 1 1.630 0.020 . 2 . . . . 148 LYS HD3 . 15361 1 1656 . 1 1 148 148 LYS HE2 H 1 2.929 0.020 . 2 . . . . 148 LYS HE2 . 15361 1 1657 . 1 1 148 148 LYS HE3 H 1 2.929 0.020 . 2 . . . . 148 LYS HE3 . 15361 1 1658 . 1 1 148 148 LYS HG2 H 1 1.513 0.020 . 2 . . . . 148 LYS HG2 . 15361 1 1659 . 1 1 148 148 LYS HG3 H 1 1.411 0.020 . 2 . . . . 148 LYS HG3 . 15361 1 1660 . 1 1 148 148 LYS C C 13 178.600 0.400 . 1 . . . . 148 LYS C . 15361 1 1661 . 1 1 148 148 LYS CA C 13 59.785 0.400 . 1 . . . . 148 LYS CA . 15361 1 1662 . 1 1 148 148 LYS CB C 13 31.957 0.400 . 1 . . . . 148 LYS CB . 15361 1 1663 . 1 1 148 148 LYS CD C 13 28.802 0.400 . 1 . . . . 148 LYS CD . 15361 1 1664 . 1 1 148 148 LYS CE C 13 41.975 0.400 . 1 . . . . 148 LYS CE . 15361 1 1665 . 1 1 148 148 LYS CG C 13 24.537 0.400 . 1 . . . . 148 LYS CG . 15361 1 1666 . 1 1 148 148 LYS N N 15 122.117 0.400 . 1 . . . . 148 LYS N . 15361 1 1667 . 1 1 149 149 ASP H H 1 9.123 0.020 . 1 . . . . 149 ASP H . 15361 1 1668 . 1 1 149 149 ASP HA H 1 4.260 0.020 . 1 . . . . 149 ASP HA . 15361 1 1669 . 1 1 149 149 ASP HB2 H 1 2.794 0.020 . 1 . . . . 149 ASP HB2 . 15361 1 1670 . 1 1 149 149 ASP HB3 H 1 2.225 0.020 . 1 . . . . 149 ASP HB3 . 15361 1 1671 . 1 1 149 149 ASP C C 13 178.100 0.400 . 1 . . . . 149 ASP C . 15361 1 1672 . 1 1 149 149 ASP CA C 13 58.301 0.400 . 1 . . . . 149 ASP CA . 15361 1 1673 . 1 1 149 149 ASP CB C 13 43.459 0.400 . 1 . . . . 149 ASP CB . 15361 1 1674 . 1 1 149 149 ASP N N 15 118.080 0.400 . 1 . . . . 149 ASP N . 15361 1 1675 . 1 1 150 150 ASP H H 1 6.998 0.020 . 1 . . . . 150 ASP H . 15361 1 1676 . 1 1 150 150 ASP HA H 1 4.701 0.020 . 1 . . . . 150 ASP HA . 15361 1 1677 . 1 1 150 150 ASP HB2 H 1 2.849 0.020 . 1 . . . . 150 ASP HB2 . 15361 1 1678 . 1 1 150 150 ASP HB3 H 1 2.660 0.020 . 1 . . . . 150 ASP HB3 . 15361 1 1679 . 1 1 150 150 ASP C C 13 178.100 0.400 . 1 . . . . 150 ASP C . 15361 1 1680 . 1 1 150 150 ASP CA C 13 56.652 0.400 . 1 . . . . 150 ASP CA . 15361 1 1681 . 1 1 150 150 ASP CB C 13 42.717 0.400 . 1 . . . . 150 ASP CB . 15361 1 1682 . 1 1 150 150 ASP N N 15 116.003 0.400 . 1 . . . . 150 ASP N . 15361 1 1683 . 1 1 151 151 VAL H H 1 8.002 0.020 . 1 . . . . 151 VAL H . 15361 1 1684 . 1 1 151 151 VAL HA H 1 3.388 0.020 . 1 . . . . 151 VAL HA . 15361 1 1685 . 1 1 151 151 VAL HB H 1 2.059 0.020 . 1 . . . . 151 VAL HB . 15361 1 1686 . 1 1 151 151 VAL HG11 H 1 0.875 0.020 . 2 . . . . 151 VAL HG1 . 15361 1 1687 . 1 1 151 151 VAL HG12 H 1 0.875 0.020 . 2 . . . . 151 VAL HG1 . 15361 1 1688 . 1 1 151 151 VAL HG13 H 1 0.875 0.020 . 2 . . . . 151 VAL HG1 . 15361 1 1689 . 1 1 151 151 VAL HG21 H 1 0.815 0.020 . 2 . . . . 151 VAL HG2 . 15361 1 1690 . 1 1 151 151 VAL HG22 H 1 0.815 0.020 . 2 . . . . 151 VAL HG2 . 15361 1 1691 . 1 1 151 151 VAL HG23 H 1 0.815 0.020 . 2 . . . . 151 VAL HG2 . 15361 1 1692 . 1 1 151 151 VAL C C 13 177.600 0.400 . 1 . . . . 151 VAL C . 15361 1 1693 . 1 1 151 151 VAL CA C 13 66.704 0.400 . 1 . . . . 151 VAL CA . 15361 1 1694 . 1 1 151 151 VAL CB C 13 31.606 0.400 . 1 . . . . 151 VAL CB . 15361 1 1695 . 1 1 151 151 VAL CG1 C 13 23.424 0.400 . 1 . . . . 151 VAL CG1 . 15361 1 1696 . 1 1 151 151 VAL CG2 C 13 20.826 0.400 . 1 . . . . 151 VAL CG2 . 15361 1 1697 . 1 1 151 151 VAL N N 15 119.200 0.400 . 1 . . . . 151 VAL N . 15361 1 1698 . 1 1 152 152 LYS H H 1 8.040 0.020 . 1 . . . . 152 LYS H . 15361 1 1699 . 1 1 152 152 LYS HA H 1 3.953 0.020 . 1 . . . . 152 LYS HA . 15361 1 1700 . 1 1 152 152 LYS HB2 H 1 1.856 0.020 . 2 . . . . 152 LYS HB2 . 15361 1 1701 . 1 1 152 152 LYS HB3 H 1 1.856 0.020 . 2 . . . . 152 LYS HB3 . 15361 1 1702 . 1 1 152 152 LYS HD2 H 1 1.347 0.020 . 2 . . . . 152 LYS HD2 . 15361 1 1703 . 1 1 152 152 LYS HD3 H 1 1.347 0.020 . 2 . . . . 152 LYS HD3 . 15361 1 1704 . 1 1 152 152 LYS HE2 H 1 2.927 0.020 . 2 . . . . 152 LYS HE2 . 15361 1 1705 . 1 1 152 152 LYS HE3 H 1 2.927 0.020 . 2 . . . . 152 LYS HE3 . 15361 1 1706 . 1 1 152 152 LYS HG2 H 1 1.611 0.020 . 2 . . . . 152 LYS HG2 . 15361 1 1707 . 1 1 152 152 LYS HG3 H 1 1.611 0.020 . 2 . . . . 152 LYS HG3 . 15361 1 1708 . 1 1 152 152 LYS C C 13 180.200 0.400 . 1 . . . . 152 LYS C . 15361 1 1709 . 1 1 152 152 LYS CA C 13 59.043 0.400 . 1 . . . . 152 LYS CA . 15361 1 1710 . 1 1 152 152 LYS CB C 13 31.586 0.400 . 1 . . . . 152 LYS CB . 15361 1 1711 . 1 1 152 152 LYS CD C 13 24.100 0.400 . 1 . . . . 152 LYS CD . 15361 1 1712 . 1 1 152 152 LYS CE C 13 41.740 0.400 . 1 . . . . 152 LYS CE . 15361 1 1713 . 1 1 152 152 LYS CG C 13 29.077 0.400 . 1 . . . . 152 LYS CG . 15361 1 1714 . 1 1 152 152 LYS N N 15 117.543 0.400 . 1 . . . . 152 LYS N . 15361 1 1715 . 1 1 153 153 GLY H H 1 8.041 0.020 . 1 . . . . 153 GLY H . 15361 1 1716 . 1 1 153 153 GLY HA2 H 1 3.818 0.020 . 2 . . . . 153 GLY HA2 . 15361 1 1717 . 1 1 153 153 GLY HA3 H 1 3.983 0.020 . 2 . . . . 153 GLY HA3 . 15361 1 1718 . 1 1 153 153 GLY C C 13 176.500 0.400 . 1 . . . . 153 GLY C . 15361 1 1719 . 1 1 153 153 GLY CA C 13 47.170 0.400 . 1 . . . . 153 GLY CA . 15361 1 1720 . 1 1 153 153 GLY N N 15 105.955 0.400 . 1 . . . . 153 GLY N . 15361 1 1721 . 1 1 154 154 ILE H H 1 8.880 0.020 . 1 . . . . 154 ILE H . 15361 1 1722 . 1 1 154 154 ILE HA H 1 4.561 0.020 . 1 . . . . 154 ILE HA . 15361 1 1723 . 1 1 154 154 ILE HB H 1 2.294 0.020 . 1 . . . . 154 ILE HB . 15361 1 1724 . 1 1 154 154 ILE HD11 H 1 0.964 0.020 . 1 . . . . 154 ILE HD1 . 15361 1 1725 . 1 1 154 154 ILE HD12 H 1 0.964 0.020 . 1 . . . . 154 ILE HD1 . 15361 1 1726 . 1 1 154 154 ILE HD13 H 1 0.964 0.020 . 1 . . . . 154 ILE HD1 . 15361 1 1727 . 1 1 154 154 ILE HG12 H 1 1.958 0.020 . 2 . . . . 154 ILE HG12 . 15361 1 1728 . 1 1 154 154 ILE HG13 H 1 1.704 0.020 . 2 . . . . 154 ILE HG13 . 15361 1 1729 . 1 1 154 154 ILE HG21 H 1 1.589 0.020 . 1 . . . . 154 ILE HG2 . 15361 1 1730 . 1 1 154 154 ILE HG22 H 1 1.589 0.020 . 1 . . . . 154 ILE HG2 . 15361 1 1731 . 1 1 154 154 ILE HG23 H 1 1.589 0.020 . 1 . . . . 154 ILE HG2 . 15361 1 1732 . 1 1 154 154 ILE C C 13 178.300 0.400 . 1 . . . . 154 ILE C . 15361 1 1733 . 1 1 154 154 ILE CA C 13 60.700 0.400 . 1 . . . . 154 ILE CA . 15361 1 1734 . 1 1 154 154 ILE CB C 13 39.007 0.400 . 1 . . . . 154 ILE CB . 15361 1 1735 . 1 1 154 154 ILE CD1 C 13 15.632 0.400 . 1 . . . . 154 ILE CD1 . 15361 1 1736 . 1 1 154 154 ILE CG1 C 13 30.473 0.400 . 1 . . . . 154 ILE CG1 . 15361 1 1737 . 1 1 154 154 ILE CG2 C 13 20.084 0.400 . 1 . . . . 154 ILE CG2 . 15361 1 1738 . 1 1 154 154 ILE N N 15 122.600 0.400 . 1 . . . . 154 ILE N . 15361 1 1739 . 1 1 155 155 GLN H H 1 8.667 0.020 . 1 . . . . 155 GLN H . 15361 1 1740 . 1 1 155 155 GLN HA H 1 3.992 0.020 . 1 . . . . 155 GLN HA . 15361 1 1741 . 1 1 155 155 GLN HB2 H 1 2.161 0.020 . 2 . . . . 155 GLN HB2 . 15361 1 1742 . 1 1 155 155 GLN HB3 H 1 2.161 0.020 . 2 . . . . 155 GLN HB3 . 15361 1 1743 . 1 1 155 155 GLN HG2 H 1 2.840 0.020 . 2 . . . . 155 GLN HG2 . 15361 1 1744 . 1 1 155 155 GLN HG3 H 1 2.372 0.020 . 2 . . . . 155 GLN HG3 . 15361 1 1745 . 1 1 155 155 GLN C C 13 179.100 0.400 . 1 . . . . 155 GLN C . 15361 1 1746 . 1 1 155 155 GLN CA C 13 58.301 0.400 . 1 . . . . 155 GLN CA . 15361 1 1747 . 1 1 155 155 GLN CB C 13 26.763 0.400 . 1 . . . . 155 GLN CB . 15361 1 1748 . 1 1 155 155 GLN CG C 13 34.555 0.400 . 1 . . . . 155 GLN CG . 15361 1 1749 . 1 1 155 155 GLN N N 15 123.031 0.400 . 1 . . . . 155 GLN N . 15361 1 1750 . 1 1 156 156 ALA H H 1 7.739 0.020 . 1 . . . . 156 ALA H . 15361 1 1751 . 1 1 156 156 ALA HA H 1 4.081 0.020 . 1 . . . . 156 ALA HA . 15361 1 1752 . 1 1 156 156 ALA HB1 H 1 1.471 0.020 . 1 . . . . 156 ALA HB . 15361 1 1753 . 1 1 156 156 ALA HB2 H 1 1.471 0.020 . 1 . . . . 156 ALA HB . 15361 1 1754 . 1 1 156 156 ALA HB3 H 1 1.471 0.020 . 1 . . . . 156 ALA HB . 15361 1 1755 . 1 1 156 156 ALA C C 13 178.700 0.400 . 1 . . . . 156 ALA C . 15361 1 1756 . 1 1 156 156 ALA CA C 13 54.520 0.400 . 1 . . . . 156 ALA CA . 15361 1 1757 . 1 1 156 156 ALA CB C 13 17.116 0.400 . 1 . . . . 156 ALA CB . 15361 1 1758 . 1 1 156 156 ALA N N 15 122.727 0.400 . 1 . . . . 156 ALA N . 15361 1 1759 . 1 1 157 157 LEU H H 1 6.750 0.020 . 1 . . . . 157 LEU H . 15361 1 1760 . 1 1 157 157 LEU HA H 1 4.057 0.020 . 1 . . . . 157 LEU HA . 15361 1 1761 . 1 1 157 157 LEU HB2 H 1 1.721 0.020 . 2 . . . . 157 LEU HB2 . 15361 1 1762 . 1 1 157 157 LEU HB3 H 1 0.491 0.020 . 2 . . . . 157 LEU HB3 . 15361 1 1763 . 1 1 157 157 LEU HD11 H 1 0.816 0.020 . 2 . . . . 157 LEU HD1 . 15361 1 1764 . 1 1 157 157 LEU HD12 H 1 0.816 0.020 . 2 . . . . 157 LEU HD1 . 15361 1 1765 . 1 1 157 157 LEU HD13 H 1 0.816 0.020 . 2 . . . . 157 LEU HD1 . 15361 1 1766 . 1 1 157 157 LEU HD21 H 1 0.648 0.020 . 2 . . . . 157 LEU HD2 . 15361 1 1767 . 1 1 157 157 LEU HD22 H 1 0.648 0.020 . 2 . . . . 157 LEU HD2 . 15361 1 1768 . 1 1 157 157 LEU HD23 H 1 0.648 0.020 . 2 . . . . 157 LEU HD2 . 15361 1 1769 . 1 1 157 157 LEU HG H 1 1.513 0.020 . 1 . . . . 157 LEU HG . 15361 1 1770 . 1 1 157 157 LEU C C 13 177.500 0.400 . 1 . . . . 157 LEU C . 15361 1 1771 . 1 1 157 157 LEU CA C 13 56.424 0.400 . 1 . . . . 157 LEU CA . 15361 1 1772 . 1 1 157 157 LEU CB C 13 43.830 0.400 . 1 . . . . 157 LEU CB . 15361 1 1773 . 1 1 157 157 LEU CD1 C 13 25.279 0.400 . 1 . . . . 157 LEU CD1 . 15361 1 1774 . 1 1 157 157 LEU CD2 C 13 22.682 0.400 . 1 . . . . 157 LEU CD2 . 15361 1 1775 . 1 1 157 157 LEU CG C 13 26.530 0.400 . 1 . . . . 157 LEU CG . 15361 1 1776 . 1 1 157 157 LEU N N 15 114.798 0.400 . 1 . . . . 157 LEU N . 15361 1 1777 . 1 1 158 158 TYR H H 1 7.420 0.020 . 1 . . . . 158 TYR H . 15361 1 1778 . 1 1 158 158 TYR HA H 1 4.617 0.020 . 1 . . . . 158 TYR HA . 15361 1 1779 . 1 1 158 158 TYR HB2 H 1 2.546 0.020 . 2 . . . . 158 TYR HB2 . 15361 1 1780 . 1 1 158 158 TYR HB3 H 1 3.270 0.020 . 2 . . . . 158 TYR HB3 . 15361 1 1781 . 1 1 158 158 TYR HD1 H 1 7.276 0.020 . 1 . . . . 158 TYR HD1 . 15361 1 1782 . 1 1 158 158 TYR HD2 H 1 7.276 0.020 . 1 . . . . 158 TYR HD2 . 15361 1 1783 . 1 1 158 158 TYR HE1 H 1 7.240 0.020 . 1 . . . . 158 TYR HE1 . 15361 1 1784 . 1 1 158 158 TYR HE2 H 1 7.240 0.020 . 1 . . . . 158 TYR HE2 . 15361 1 1785 . 1 1 158 158 TYR C C 13 175.900 0.400 . 1 . . . . 158 TYR C . 15361 1 1786 . 1 1 158 158 TYR CA C 13 59.043 0.400 . 1 . . . . 158 TYR CA . 15361 1 1787 . 1 1 158 158 TYR CB C 13 40.491 0.400 . 1 . . . . 158 TYR CB . 15361 1 1788 . 1 1 158 158 TYR N N 15 112.359 0.400 . 1 . . . . 158 TYR N . 15361 1 1789 . 1 1 159 159 GLY H H 1 8.243 0.020 . 1 . . . . 159 GLY H . 15361 1 1790 . 1 1 159 159 GLY HA2 H 1 4.019 0.020 . 2 . . . . 159 GLY HA2 . 15361 1 1791 . 1 1 159 159 GLY HA3 H 1 4.241 0.020 . 2 . . . . 159 GLY HA3 . 15361 1 1792 . 1 1 159 159 GLY C C 13 168.900 0.400 . 1 . . . . 159 GLY C . 15361 1 1793 . 1 1 159 159 GLY CA C 13 43.686 0.400 . 1 . . . . 159 GLY CA . 15361 1 1794 . 1 1 159 159 GLY N N 15 109.614 0.400 . 1 . . . . 159 GLY N . 15361 1 1795 . 1 1 160 160 PRO HB2 H 1 1.990 0.020 . 2 . . . . 160 PRO HB2 . 15361 1 1796 . 1 1 160 160 PRO HB3 H 1 1.863 0.020 . 2 . . . . 160 PRO HB3 . 15361 1 1797 . 1 1 160 160 PRO HD2 H 1 4.677 0.020 . 2 . . . . 160 PRO HD2 . 15361 1 1798 . 1 1 160 160 PRO HD3 H 1 3.490 0.020 . 2 . . . . 160 PRO HD3 . 15361 1 1799 . 1 1 160 160 PRO HG2 H 1 1.880 0.020 . 2 . . . . 160 PRO HG2 . 15361 1 1800 . 1 1 160 160 PRO HG3 H 1 1.944 0.020 . 2 . . . . 160 PRO HG3 . 15361 1 1801 . 1 1 160 160 PRO CD C 13 48.800 0.400 . 1 . . . . 160 PRO CD . 15361 1 1802 . 1 1 160 160 PRO CG C 13 26.900 0.400 . 1 . . . . 160 PRO CG . 15361 1 1803 . 6 4 1 1 NGH H102 H 1 7.500 0.020 . 2 . . . . 273 NGH HP6 . 15361 1 1804 . 6 4 1 1 NGH H101 H 1 6.633 0.020 . 2 . . . . 273 NGH HP5 . 15361 1 1805 . 6 4 1 1 NGH H71 H 1 3.790 0.020 . 2 . . . . 273 NGH QM . 15361 1 1806 . 6 4 1 1 NGH H72 H 1 3.790 0.020 . 2 . . . . 273 NGH QM . 15361 1 1807 . 6 4 1 1 NGH H73 H 1 3.790 0.020 . 2 . . . . 273 NGH QM . 15361 1 1808 . 6 4 1 1 NGH H92 H 1 6.633 0.020 . 2 . . . . 273 NGH HP3 . 15361 1 1809 . 6 4 1 1 NGH H91 H 1 7.500 0.020 . 1 . . . . 273 NGH HP2 . 15361 1 1810 . 6 4 1 1 NGH H131 H 1 0.928 0.020 . 1 . . . . 273 NGH QD1 . 15361 1 1811 . 6 4 1 1 NGH H132 H 1 0.928 0.020 . 1 . . . . 273 NGH QD1 . 15361 1 1812 . 6 4 1 1 NGH H133 H 1 0.928 0.020 . 1 . . . . 273 NGH QD1 . 15361 1 1813 . 6 4 1 1 NGH H141 H 1 0.928 0.020 . 1 . . . . 273 NGH QD2 . 15361 1 1814 . 6 4 1 1 NGH H142 H 1 0.928 0.020 . 1 . . . . 273 NGH QD2 . 15361 1 1815 . 6 4 1 1 NGH H143 H 1 0.928 0.020 . 1 . . . . 273 NGH QD2 . 15361 1 1816 . 6 4 1 1 NGH H5 H 1 2.170 0.020 . 1 . . . . 273 NGH HG . 15361 1 1817 . 6 4 1 1 NGH H4 H 1 3.543 0.020 . 1 . . . . 273 NGH HB2 . 15361 1 1818 . 6 4 1 1 NGH H1 H 1 4.210 0.020 . 1 . . . . 273 NGH HA1 . 15361 1 1819 . 6 4 1 1 NGH H2 H 1 4.516 0.020 . 2 . . . . 273 NGH HA2 . 15361 1 1820 . 6 4 1 1 NGH HN1 H 1 11.418 0.020 . 2 . . . . 273 NGH HNA . 15361 1 stop_ save_