data_4287 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4287 _Entry.Title ; 1H and 15N Chemical Shift Assignments of the Unstructured Yeast Target Membrane SNARE Sso1. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-12-18 _Entry.Accession_date 1998-12-18 _Entry.Last_release_date 1999-10-05 _Entry.Original_release_date 1999-10-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Klaus Fiebig . M. . 4287 2 Axel Brunger . T. . 4287 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4287 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 76 4287 '1H chemical shifts' 430 4287 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 1999-10-05 1998-12-18 original author . 4287 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4287 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99140290 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Fiebig, K. M., Rice, L. M., Pollock, E., and Brunger, A. T., "Folding Intermediates of SNARE Complex Assembly," Nat. Struct. Biol. 6, 117-123 (1999). ; _Citation.Title 'Folding Intermediates of SNARE Complex Assembly' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full 'Nature Structural Biology' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 117 _Citation.Page_last 123 _Citation.Year 1999 _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 Klaus Fiebig . M. . 4287 1 2 Luke Rice . M. . 4287 1 3 Elizabeth Pollock . . . 4287 1 4 Axel Brunger . T. . 4287 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'alpha-helix bundle' 4287 1 'cellular trafficking' 4287 1 'coiled coil' 4287 1 'H1-H2 domain' 4287 1 'membrane fusion' 4287 1 Sec9 4287 1 Snc1 4287 1 Sso1 4287 1 'yeast SNARE' 4287 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_Sso1p _Assembly.Sf_category assembly _Assembly.Sf_framecode Sso1p _Assembly.Entry_ID 4287 _Assembly.ID 1 _Assembly.Name Sso1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4287 1 stop_ 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 Sso1 1 $Sso1 . . . denatured . . . . . 4287 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1FIO . 'A Chain A, Crystal Structure Of Yeast T-Snare Protein Sso1' . . . . 4287 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Sso1 system 4287 1 Sso1p abbreviation 4287 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Membrane fusion protein' 4287 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sso1 _Entity.Sf_category entity _Entity.Sf_framecode Sso1 _Entity.Entry_ID 4287 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sso1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMSYNNPYQLETPFEESY ELDEGSSAIGAEGHDFVGFM NKISQINRDLDKYDHTINQV DSLHKRLLTEVNEEQASHLR HSLDNFVAQATDLQFKLKNE IKSAQRDGIHDTNKQAQAEN SRQRFLKLIQDYRIVDSNYK EENKEQAKRQYMIIQPEATE DEVEAAISDVGGQQIFSQAL LNANRRGEAKTALAEVQARH QELLKLEKSMAELTQLFNDM EELVIEQQENVDVIDKNVED AQLDVEQGVGHTDKAVKSAR KARKNKIR ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 268 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 1FIO . "Crystal Structure Of Yeast T-Snare Protein Sso1" . . . . . 72.76 196 100.00 100.00 6.27e-136 . . . . 4287 1 2 no DBJ GAA26746 . "K7_Sso1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 98.88 290 100.00 100.00 0.00e+00 . . . . 4287 1 3 no EMBL CAA47959 . "Sso1 protein [Saccharomyces cerevisiae]" . . . . . 98.88 290 100.00 100.00 0.00e+00 . . . . 4287 1 4 no EMBL CAA54217 . "orf2 [Saccharomyces cerevisiae]" . . . . . 98.88 290 100.00 100.00 0.00e+00 . . . . 4287 1 5 no EMBL CAA64255 . "syntaxin-related protein [Saccharomyces cerevisiae]" . . . . . 98.88 290 100.00 100.00 0.00e+00 . . . . 4287 1 6 no EMBL CAA97949 . "SSO1 [Saccharomyces cerevisiae]" . . . . . 98.88 290 100.00 100.00 0.00e+00 . . . . 4287 1 7 no EMBL CAY86728 . "Sso1p [Saccharomyces cerevisiae EC1118]" . . . . . 98.88 290 99.62 100.00 0.00e+00 . . . . 4287 1 8 no GB AHY77951 . "Sso1p [Saccharomyces cerevisiae YJM993]" . . . . . 98.88 290 99.62 100.00 0.00e+00 . . . . 4287 1 9 no GB AJP41919 . "Sso1p [Saccharomyces cerevisiae YJM1078]" . . . . . 98.88 290 99.62 100.00 0.00e+00 . . . . 4287 1 10 no GB AJU23363 . "Sso1p [Saccharomyces cerevisiae YJM1526]" . . . . . 98.88 290 99.62 100.00 0.00e+00 . . . . 4287 1 11 no GB AJU24051 . "Sso1p [Saccharomyces cerevisiae YJM1549]" . . . . . 98.88 290 99.62 100.00 0.00e+00 . . . . 4287 1 12 no GB AJU24725 . "Sso1p [Saccharomyces cerevisiae YJM1574]" . . . . . 98.88 290 99.62 100.00 0.00e+00 . . . . 4287 1 13 no REF NP_015092 . "Sso1p [Saccharomyces cerevisiae S288c]" . . . . . 98.88 290 100.00 100.00 0.00e+00 . . . . 4287 1 14 no SP P32867 . "RecName: Full=Protein SSO1" . . . . . 98.88 290 100.00 100.00 0.00e+00 . . . . 4287 1 15 no TPG DAA11204 . "TPA: Sso1p [Saccharomyces cerevisiae S288c]" . . . . . 98.88 290 100.00 100.00 0.00e+00 . . . . 4287 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Sso1 abbreviation 4287 1 Sso1 common 4287 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 -2 GLY . 4287 1 2 -1 SER . 4287 1 3 0 HIS . 4287 1 4 1 MET . 4287 1 5 2 SER . 4287 1 6 3 TYR . 4287 1 7 4 ASN . 4287 1 8 5 ASN . 4287 1 9 6 PRO . 4287 1 10 7 TYR . 4287 1 11 8 GLN . 4287 1 12 9 LEU . 4287 1 13 10 GLU . 4287 1 14 11 THR . 4287 1 15 12 PRO . 4287 1 16 13 PHE . 4287 1 17 14 GLU . 4287 1 18 15 GLU . 4287 1 19 16 SER . 4287 1 20 17 TYR . 4287 1 21 18 GLU . 4287 1 22 19 LEU . 4287 1 23 20 ASP . 4287 1 24 21 GLU . 4287 1 25 22 GLY . 4287 1 26 23 SER . 4287 1 27 24 SER . 4287 1 28 25 ALA . 4287 1 29 26 ILE . 4287 1 30 27 GLY . 4287 1 31 28 ALA . 4287 1 32 29 GLU . 4287 1 33 30 GLY . 4287 1 34 31 HIS . 4287 1 35 32 ASP . 4287 1 36 33 PHE . 4287 1 37 34 VAL . 4287 1 38 35 GLY . 4287 1 39 36 PHE . 4287 1 40 37 MET . 4287 1 41 38 ASN . 4287 1 42 39 LYS . 4287 1 43 40 ILE . 4287 1 44 41 SER . 4287 1 45 42 GLN . 4287 1 46 43 ILE . 4287 1 47 44 ASN . 4287 1 48 45 ARG . 4287 1 49 46 ASP . 4287 1 50 47 LEU . 4287 1 51 48 ASP . 4287 1 52 49 LYS . 4287 1 53 50 TYR . 4287 1 54 51 ASP . 4287 1 55 52 HIS . 4287 1 56 53 THR . 4287 1 57 54 ILE . 4287 1 58 55 ASN . 4287 1 59 56 GLN . 4287 1 60 57 VAL . 4287 1 61 58 ASP . 4287 1 62 59 SER . 4287 1 63 60 LEU . 4287 1 64 61 HIS . 4287 1 65 62 LYS . 4287 1 66 63 ARG . 4287 1 67 64 LEU . 4287 1 68 65 LEU . 4287 1 69 66 THR . 4287 1 70 67 GLU . 4287 1 71 68 VAL . 4287 1 72 69 ASN . 4287 1 73 70 GLU . 4287 1 74 71 GLU . 4287 1 75 72 GLN . 4287 1 76 73 ALA . 4287 1 77 74 SER . 4287 1 78 75 HIS . 4287 1 79 76 LEU . 4287 1 80 77 ARG . 4287 1 81 78 HIS . 4287 1 82 79 SER . 4287 1 83 80 LEU . 4287 1 84 81 ASP . 4287 1 85 82 ASN . 4287 1 86 83 PHE . 4287 1 87 84 VAL . 4287 1 88 85 ALA . 4287 1 89 86 GLN . 4287 1 90 87 ALA . 4287 1 91 88 THR . 4287 1 92 89 ASP . 4287 1 93 90 LEU . 4287 1 94 91 GLN . 4287 1 95 92 PHE . 4287 1 96 93 LYS . 4287 1 97 94 LEU . 4287 1 98 95 LYS . 4287 1 99 96 ASN . 4287 1 100 97 GLU . 4287 1 101 98 ILE . 4287 1 102 99 LYS . 4287 1 103 100 SER . 4287 1 104 101 ALA . 4287 1 105 102 GLN . 4287 1 106 103 ARG . 4287 1 107 104 ASP . 4287 1 108 105 GLY . 4287 1 109 106 ILE . 4287 1 110 107 HIS . 4287 1 111 108 ASP . 4287 1 112 109 THR . 4287 1 113 110 ASN . 4287 1 114 111 LYS . 4287 1 115 112 GLN . 4287 1 116 113 ALA . 4287 1 117 114 GLN . 4287 1 118 115 ALA . 4287 1 119 116 GLU . 4287 1 120 117 ASN . 4287 1 121 118 SER . 4287 1 122 119 ARG . 4287 1 123 120 GLN . 4287 1 124 121 ARG . 4287 1 125 122 PHE . 4287 1 126 123 LEU . 4287 1 127 124 LYS . 4287 1 128 125 LEU . 4287 1 129 126 ILE . 4287 1 130 127 GLN . 4287 1 131 128 ASP . 4287 1 132 129 TYR . 4287 1 133 130 ARG . 4287 1 134 131 ILE . 4287 1 135 132 VAL . 4287 1 136 133 ASP . 4287 1 137 134 SER . 4287 1 138 135 ASN . 4287 1 139 136 TYR . 4287 1 140 137 LYS . 4287 1 141 138 GLU . 4287 1 142 139 GLU . 4287 1 143 140 ASN . 4287 1 144 141 LYS . 4287 1 145 142 GLU . 4287 1 146 143 GLN . 4287 1 147 144 ALA . 4287 1 148 145 LYS . 4287 1 149 146 ARG . 4287 1 150 147 GLN . 4287 1 151 148 TYR . 4287 1 152 149 MET . 4287 1 153 150 ILE . 4287 1 154 151 ILE . 4287 1 155 152 GLN . 4287 1 156 153 PRO . 4287 1 157 154 GLU . 4287 1 158 155 ALA . 4287 1 159 156 THR . 4287 1 160 157 GLU . 4287 1 161 158 ASP . 4287 1 162 159 GLU . 4287 1 163 160 VAL . 4287 1 164 161 GLU . 4287 1 165 162 ALA . 4287 1 166 163 ALA . 4287 1 167 164 ILE . 4287 1 168 165 SER . 4287 1 169 166 ASP . 4287 1 170 167 VAL . 4287 1 171 168 GLY . 4287 1 172 169 GLY . 4287 1 173 170 GLN . 4287 1 174 171 GLN . 4287 1 175 172 ILE . 4287 1 176 173 PHE . 4287 1 177 174 SER . 4287 1 178 175 GLN . 4287 1 179 176 ALA . 4287 1 180 177 LEU . 4287 1 181 178 LEU . 4287 1 182 179 ASN . 4287 1 183 180 ALA . 4287 1 184 181 ASN . 4287 1 185 182 ARG . 4287 1 186 183 ARG . 4287 1 187 184 GLY . 4287 1 188 185 GLU . 4287 1 189 186 ALA . 4287 1 190 187 LYS . 4287 1 191 188 THR . 4287 1 192 189 ALA . 4287 1 193 190 LEU . 4287 1 194 191 ALA . 4287 1 195 192 GLU . 4287 1 196 193 VAL . 4287 1 197 194 GLN . 4287 1 198 195 ALA . 4287 1 199 196 ARG . 4287 1 200 197 HIS . 4287 1 201 198 GLN . 4287 1 202 199 GLU . 4287 1 203 200 LEU . 4287 1 204 201 LEU . 4287 1 205 202 LYS . 4287 1 206 203 LEU . 4287 1 207 204 GLU . 4287 1 208 205 LYS . 4287 1 209 206 SER . 4287 1 210 207 MET . 4287 1 211 208 ALA . 4287 1 212 209 GLU . 4287 1 213 210 LEU . 4287 1 214 211 THR . 4287 1 215 212 GLN . 4287 1 216 213 LEU . 4287 1 217 214 PHE . 4287 1 218 215 ASN . 4287 1 219 216 ASP . 4287 1 220 217 MET . 4287 1 221 218 GLU . 4287 1 222 219 GLU . 4287 1 223 220 LEU . 4287 1 224 221 VAL . 4287 1 225 222 ILE . 4287 1 226 223 GLU . 4287 1 227 224 GLN . 4287 1 228 225 GLN . 4287 1 229 226 GLU . 4287 1 230 227 ASN . 4287 1 231 228 VAL . 4287 1 232 229 ASP . 4287 1 233 230 VAL . 4287 1 234 231 ILE . 4287 1 235 232 ASP . 4287 1 236 233 LYS . 4287 1 237 234 ASN . 4287 1 238 235 VAL . 4287 1 239 236 GLU . 4287 1 240 237 ASP . 4287 1 241 238 ALA . 4287 1 242 239 GLN . 4287 1 243 240 LEU . 4287 1 244 241 ASP . 4287 1 245 242 VAL . 4287 1 246 243 GLU . 4287 1 247 244 GLN . 4287 1 248 245 GLY . 4287 1 249 246 VAL . 4287 1 250 247 GLY . 4287 1 251 248 HIS . 4287 1 252 249 THR . 4287 1 253 250 ASP . 4287 1 254 251 LYS . 4287 1 255 252 ALA . 4287 1 256 253 VAL . 4287 1 257 254 LYS . 4287 1 258 255 SER . 4287 1 259 256 ALA . 4287 1 260 257 ARG . 4287 1 261 258 LYS . 4287 1 262 259 ALA . 4287 1 263 260 ARG . 4287 1 264 261 LYS . 4287 1 265 262 ASN . 4287 1 266 263 LYS . 4287 1 267 264 ILE . 4287 1 268 265 ARG . 4287 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 4287 1 . SER 2 2 4287 1 . HIS 3 3 4287 1 . MET 4 4 4287 1 . SER 5 5 4287 1 . TYR 6 6 4287 1 . ASN 7 7 4287 1 . ASN 8 8 4287 1 . PRO 9 9 4287 1 . TYR 10 10 4287 1 . GLN 11 11 4287 1 . LEU 12 12 4287 1 . GLU 13 13 4287 1 . THR 14 14 4287 1 . PRO 15 15 4287 1 . PHE 16 16 4287 1 . GLU 17 17 4287 1 . GLU 18 18 4287 1 . SER 19 19 4287 1 . TYR 20 20 4287 1 . GLU 21 21 4287 1 . LEU 22 22 4287 1 . ASP 23 23 4287 1 . GLU 24 24 4287 1 . GLY 25 25 4287 1 . SER 26 26 4287 1 . SER 27 27 4287 1 . ALA 28 28 4287 1 . ILE 29 29 4287 1 . GLY 30 30 4287 1 . ALA 31 31 4287 1 . GLU 32 32 4287 1 . GLY 33 33 4287 1 . HIS 34 34 4287 1 . ASP 35 35 4287 1 . PHE 36 36 4287 1 . VAL 37 37 4287 1 . GLY 38 38 4287 1 . PHE 39 39 4287 1 . MET 40 40 4287 1 . ASN 41 41 4287 1 . LYS 42 42 4287 1 . ILE 43 43 4287 1 . SER 44 44 4287 1 . GLN 45 45 4287 1 . ILE 46 46 4287 1 . ASN 47 47 4287 1 . ARG 48 48 4287 1 . ASP 49 49 4287 1 . LEU 50 50 4287 1 . ASP 51 51 4287 1 . LYS 52 52 4287 1 . TYR 53 53 4287 1 . ASP 54 54 4287 1 . HIS 55 55 4287 1 . THR 56 56 4287 1 . ILE 57 57 4287 1 . ASN 58 58 4287 1 . GLN 59 59 4287 1 . VAL 60 60 4287 1 . ASP 61 61 4287 1 . SER 62 62 4287 1 . LEU 63 63 4287 1 . HIS 64 64 4287 1 . LYS 65 65 4287 1 . ARG 66 66 4287 1 . LEU 67 67 4287 1 . LEU 68 68 4287 1 . THR 69 69 4287 1 . GLU 70 70 4287 1 . VAL 71 71 4287 1 . ASN 72 72 4287 1 . GLU 73 73 4287 1 . GLU 74 74 4287 1 . GLN 75 75 4287 1 . ALA 76 76 4287 1 . SER 77 77 4287 1 . HIS 78 78 4287 1 . LEU 79 79 4287 1 . ARG 80 80 4287 1 . HIS 81 81 4287 1 . SER 82 82 4287 1 . LEU 83 83 4287 1 . ASP 84 84 4287 1 . ASN 85 85 4287 1 . PHE 86 86 4287 1 . VAL 87 87 4287 1 . ALA 88 88 4287 1 . GLN 89 89 4287 1 . ALA 90 90 4287 1 . THR 91 91 4287 1 . ASP 92 92 4287 1 . LEU 93 93 4287 1 . GLN 94 94 4287 1 . PHE 95 95 4287 1 . LYS 96 96 4287 1 . LEU 97 97 4287 1 . LYS 98 98 4287 1 . ASN 99 99 4287 1 . GLU 100 100 4287 1 . ILE 101 101 4287 1 . LYS 102 102 4287 1 . SER 103 103 4287 1 . ALA 104 104 4287 1 . GLN 105 105 4287 1 . ARG 106 106 4287 1 . ASP 107 107 4287 1 . GLY 108 108 4287 1 . ILE 109 109 4287 1 . HIS 110 110 4287 1 . ASP 111 111 4287 1 . THR 112 112 4287 1 . ASN 113 113 4287 1 . LYS 114 114 4287 1 . GLN 115 115 4287 1 . ALA 116 116 4287 1 . GLN 117 117 4287 1 . ALA 118 118 4287 1 . GLU 119 119 4287 1 . ASN 120 120 4287 1 . SER 121 121 4287 1 . ARG 122 122 4287 1 . GLN 123 123 4287 1 . ARG 124 124 4287 1 . PHE 125 125 4287 1 . LEU 126 126 4287 1 . LYS 127 127 4287 1 . LEU 128 128 4287 1 . ILE 129 129 4287 1 . GLN 130 130 4287 1 . ASP 131 131 4287 1 . TYR 132 132 4287 1 . ARG 133 133 4287 1 . ILE 134 134 4287 1 . VAL 135 135 4287 1 . ASP 136 136 4287 1 . SER 137 137 4287 1 . ASN 138 138 4287 1 . TYR 139 139 4287 1 . LYS 140 140 4287 1 . GLU 141 141 4287 1 . GLU 142 142 4287 1 . ASN 143 143 4287 1 . LYS 144 144 4287 1 . GLU 145 145 4287 1 . GLN 146 146 4287 1 . ALA 147 147 4287 1 . LYS 148 148 4287 1 . ARG 149 149 4287 1 . GLN 150 150 4287 1 . TYR 151 151 4287 1 . MET 152 152 4287 1 . ILE 153 153 4287 1 . ILE 154 154 4287 1 . GLN 155 155 4287 1 . PRO 156 156 4287 1 . GLU 157 157 4287 1 . ALA 158 158 4287 1 . THR 159 159 4287 1 . GLU 160 160 4287 1 . ASP 161 161 4287 1 . GLU 162 162 4287 1 . VAL 163 163 4287 1 . GLU 164 164 4287 1 . ALA 165 165 4287 1 . ALA 166 166 4287 1 . ILE 167 167 4287 1 . SER 168 168 4287 1 . ASP 169 169 4287 1 . VAL 170 170 4287 1 . GLY 171 171 4287 1 . GLY 172 172 4287 1 . GLN 173 173 4287 1 . GLN 174 174 4287 1 . ILE 175 175 4287 1 . PHE 176 176 4287 1 . SER 177 177 4287 1 . GLN 178 178 4287 1 . ALA 179 179 4287 1 . LEU 180 180 4287 1 . LEU 181 181 4287 1 . ASN 182 182 4287 1 . ALA 183 183 4287 1 . ASN 184 184 4287 1 . ARG 185 185 4287 1 . ARG 186 186 4287 1 . GLY 187 187 4287 1 . GLU 188 188 4287 1 . ALA 189 189 4287 1 . LYS 190 190 4287 1 . THR 191 191 4287 1 . ALA 192 192 4287 1 . LEU 193 193 4287 1 . ALA 194 194 4287 1 . GLU 195 195 4287 1 . VAL 196 196 4287 1 . GLN 197 197 4287 1 . ALA 198 198 4287 1 . ARG 199 199 4287 1 . HIS 200 200 4287 1 . GLN 201 201 4287 1 . GLU 202 202 4287 1 . LEU 203 203 4287 1 . LEU 204 204 4287 1 . LYS 205 205 4287 1 . LEU 206 206 4287 1 . GLU 207 207 4287 1 . LYS 208 208 4287 1 . SER 209 209 4287 1 . MET 210 210 4287 1 . ALA 211 211 4287 1 . GLU 212 212 4287 1 . LEU 213 213 4287 1 . THR 214 214 4287 1 . GLN 215 215 4287 1 . LEU 216 216 4287 1 . PHE 217 217 4287 1 . ASN 218 218 4287 1 . ASP 219 219 4287 1 . MET 220 220 4287 1 . GLU 221 221 4287 1 . GLU 222 222 4287 1 . LEU 223 223 4287 1 . VAL 224 224 4287 1 . ILE 225 225 4287 1 . GLU 226 226 4287 1 . GLN 227 227 4287 1 . GLN 228 228 4287 1 . GLU 229 229 4287 1 . ASN 230 230 4287 1 . VAL 231 231 4287 1 . ASP 232 232 4287 1 . VAL 233 233 4287 1 . ILE 234 234 4287 1 . ASP 235 235 4287 1 . LYS 236 236 4287 1 . ASN 237 237 4287 1 . VAL 238 238 4287 1 . GLU 239 239 4287 1 . ASP 240 240 4287 1 . ALA 241 241 4287 1 . GLN 242 242 4287 1 . LEU 243 243 4287 1 . ASP 244 244 4287 1 . VAL 245 245 4287 1 . GLU 246 246 4287 1 . GLN 247 247 4287 1 . GLY 248 248 4287 1 . VAL 249 249 4287 1 . GLY 250 250 4287 1 . HIS 251 251 4287 1 . THR 252 252 4287 1 . ASP 253 253 4287 1 . LYS 254 254 4287 1 . ALA 255 255 4287 1 . VAL 256 256 4287 1 . LYS 257 257 4287 1 . SER 258 258 4287 1 . ALA 259 259 4287 1 . ARG 260 260 4287 1 . LYS 261 261 4287 1 . ALA 262 262 4287 1 . ARG 263 263 4287 1 . LYS 264 264 4287 1 . ASN 265 265 4287 1 . LYS 266 266 4287 1 . ILE 267 267 4287 1 . ARG 268 268 4287 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4287 _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 $Sso1 . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 4287 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 4287 _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 $Sso1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli DH5-alpha . . . . . . . . . . . . plasmid . . . . . . . . . 4287 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4287 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 Sso1 '[U-99% 15N]' . . 1 $Sso1 . . 1.2 0.5 1.5 mM . . . . 4287 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4287 _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' 220 . n/a 4287 1 pH 4.5 0.2 n/a 4287 1 temperature 288 1 K 4287 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4287 _Software.ID 1 _Software.Name FELIX _Software.Version 95 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID transformation 4287 1 stop_ save_ save_software_two _Software.Sf_category software _Software.Sf_framecode software_two _Software.Entry_ID 4287 _Software.ID 2 _Software.Name XEasy _Software.Version 1.3.11 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Assignment 4287 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4287 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4287 _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 NMR_spectrometer_one Varian . . 600 . . . 4287 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 4287 _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 1H-15N-HSQC . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4287 1 2 1H-15N-NOESY-HSQC . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4287 1 3 1H-15N-TOCSY-HSQC . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4287 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4287 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H-15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4287 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 1H-15N-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4287 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 1H-15N-TOCSY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4287 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 4287 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4287 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4287 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4287 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 SER N N 15 115.987 0.05 . 1 . . . . . . . . 4287 1 2 . 1 1 2 2 SER H H 1 8.765 0.02 . 1 . . . . . . . . 4287 1 3 . 1 1 2 2 SER HA H 1 4.878 0.02 . 1 . . . . . . . . 4287 1 4 . 1 1 2 2 SER HB2 H 1 4.007 0.02 . 1 . . . . . . . . 4287 1 5 . 1 1 2 2 SER HB3 H 1 4.007 0.02 . 1 . . . . . . . . 4287 1 6 . 1 1 3 3 HIS N N 15 120.844 0.05 . 1 . . . . . . . . 4287 1 7 . 1 1 3 3 HIS H H 1 8.807 0.02 . 1 . . . . . . . . 4287 1 8 . 1 1 3 3 HIS HA H 1 4.619 0.02 . 1 . . . . . . . . 4287 1 9 . 1 1 3 3 HIS HB2 H 1 3.325 0.02 . 2 . . . . . . . . 4287 1 10 . 1 1 3 3 HIS HB3 H 1 3.405 0.02 . 2 . . . . . . . . 4287 1 11 . 1 1 4 4 MET N N 15 122.232 0.05 . 1 . . . . . . . . 4287 1 12 . 1 1 4 4 MET H H 1 8.548 0.02 . 1 . . . . . . . . 4287 1 13 . 1 1 4 4 MET HA H 1 4.605 0.02 . 1 . . . . . . . . 4287 1 14 . 1 1 4 4 MET HB2 H 1 2.066 0.02 . 1 . . . . . . . . 4287 1 15 . 1 1 4 4 MET HB3 H 1 2.066 0.02 . 1 . . . . . . . . 4287 1 16 . 1 1 4 4 MET HG2 H 1 2.597 0.02 . 1 . . . . . . . . 4287 1 17 . 1 1 4 4 MET HG3 H 1 2.597 0.02 . 1 . . . . . . . . 4287 1 18 . 1 1 5 5 SER N N 15 117.597 0.05 . 1 . . . . . . . . 4287 1 19 . 1 1 5 5 SER H H 1 8.444 0.02 . 1 . . . . . . . . 4287 1 20 . 1 1 5 5 SER HA H 1 4.593 0.02 . 1 . . . . . . . . 4287 1 21 . 1 1 5 5 SER HB2 H 1 3.949 0.02 . 1 . . . . . . . . 4287 1 22 . 1 1 5 5 SER HB3 H 1 3.949 0.02 . 1 . . . . . . . . 4287 1 23 . 1 1 6 6 TYR N N 15 122.309 0.05 . 1 . . . . . . . . 4287 1 24 . 1 1 6 6 TYR H H 1 8.327 0.02 . 1 . . . . . . . . 4287 1 25 . 1 1 6 6 TYR HA H 1 4.719 0.02 . 1 . . . . . . . . 4287 1 26 . 1 1 6 6 TYR HB2 H 1 3.052 0.02 . 2 . . . . . . . . 4287 1 27 . 1 1 6 6 TYR HB3 H 1 3.190 0.02 . 2 . . . . . . . . 4287 1 28 . 1 1 6 6 TYR HD1 H 1 7.220 0.02 . 1 . . . . . . . . 4287 1 29 . 1 1 6 6 TYR HD2 H 1 7.220 0.02 . 1 . . . . . . . . 4287 1 30 . 1 1 7 7 ASN N N 15 120.416 0.05 . 1 . . . . . . . . 4287 1 31 . 1 1 7 7 ASN H H 1 8.416 0.02 . 1 . . . . . . . . 4287 1 32 . 1 1 7 7 ASN HA H 1 4.707 0.02 . 1 . . . . . . . . 4287 1 33 . 1 1 7 7 ASN HB2 H 1 2.824 0.02 . 1 . . . . . . . . 4287 1 34 . 1 1 7 7 ASN HB3 H 1 2.824 0.02 . 1 . . . . . . . . 4287 1 35 . 1 1 8 8 ASN N N 15 121.081 0.05 . 1 . . . . . . . . 4287 1 36 . 1 1 8 8 ASN H H 1 8.273 0.02 . 1 . . . . . . . . 4287 1 37 . 1 1 8 8 ASN HA H 1 4.694 0.02 . 1 . . . . . . . . 4287 1 38 . 1 1 8 8 ASN HB2 H 1 2.812 0.02 . 1 . . . . . . . . 4287 1 39 . 1 1 8 8 ASN HB3 H 1 2.812 0.02 . 1 . . . . . . . . 4287 1 40 . 1 1 10 10 TYR N N 15 118.872 0.05 . 1 . . . . . . . . 4287 1 41 . 1 1 10 10 TYR H H 1 8.102 0.02 . 1 . . . . . . . . 4287 1 42 . 1 1 10 10 TYR HA H 1 4.669 0.02 . 1 . . . . . . . . 4287 1 43 . 1 1 10 10 TYR HB2 H 1 3.052 0.02 . 2 . . . . . . . . 4287 1 44 . 1 1 10 10 TYR HB3 H 1 3.254 0.02 . 2 . . . . . . . . 4287 1 45 . 1 1 10 10 TYR HD1 H 1 7.246 0.02 . 1 . . . . . . . . 4287 1 46 . 1 1 10 10 TYR HD2 H 1 7.246 0.02 . 1 . . . . . . . . 4287 1 47 . 1 1 11 11 GLN N N 15 121.057 0.05 . 1 . . . . . . . . 4287 1 48 . 1 1 11 11 GLN H H 1 7.989 0.02 . 1 . . . . . . . . 4287 1 49 . 1 1 11 11 GLN HA H 1 4.403 0.02 . 1 . . . . . . . . 4287 1 50 . 1 1 11 11 GLN HB2 H 1 2.066 0.02 . 2 . . . . . . . . 4287 1 51 . 1 1 11 11 GLN HB3 H 1 2.168 0.02 . 2 . . . . . . . . 4287 1 52 . 1 1 11 11 GLN HG2 H 1 2.407 0.02 . 1 . . . . . . . . 4287 1 53 . 1 1 11 11 GLN HG3 H 1 2.407 0.02 . 1 . . . . . . . . 4287 1 54 . 1 1 12 12 LEU N N 15 123.336 0.05 . 1 . . . . . . . . 4287 1 55 . 1 1 12 12 LEU H H 1 8.257 0.02 . 1 . . . . . . . . 4287 1 56 . 1 1 12 12 LEU HA H 1 4.416 0.02 . 1 . . . . . . . . 4287 1 57 . 1 1 12 12 LEU HB2 H 1 1.738 0.02 . 1 . . . . . . . . 4287 1 58 . 1 1 12 12 LEU HB3 H 1 1.738 0.02 . 1 . . . . . . . . 4287 1 59 . 1 1 12 12 LEU HD11 H 1 1.005 0.02 . 1 . . . . . . . . 4287 1 60 . 1 1 12 12 LEU HD12 H 1 1.005 0.02 . 1 . . . . . . . . 4287 1 61 . 1 1 12 12 LEU HD13 H 1 1.005 0.02 . 1 . . . . . . . . 4287 1 62 . 1 1 12 12 LEU HD21 H 1 1.005 0.02 . 1 . . . . . . . . 4287 1 63 . 1 1 12 12 LEU HD22 H 1 1.005 0.02 . 1 . . . . . . . . 4287 1 64 . 1 1 12 12 LEU HD23 H 1 1.005 0.02 . 1 . . . . . . . . 4287 1 65 . 1 1 13 13 GLU N N 15 121.470 0.05 . 1 . . . . . . . . 4287 1 66 . 1 1 13 13 GLU H H 1 8.475 0.02 . 1 . . . . . . . . 4287 1 67 . 1 1 13 13 GLU HA H 1 4.492 0.02 . 1 . . . . . . . . 4287 1 68 . 1 1 13 13 GLU HB2 H 1 2.079 0.02 . 2 . . . . . . . . 4287 1 69 . 1 1 13 13 GLU HB3 H 1 2.193 0.02 . 2 . . . . . . . . 4287 1 70 . 1 1 13 13 GLU HG2 H 1 2.471 0.02 . 1 . . . . . . . . 4287 1 71 . 1 1 13 13 GLU HG3 H 1 2.471 0.02 . 1 . . . . . . . . 4287 1 72 . 1 1 14 14 THR N N 15 117.201 0.05 . 1 . . . . . . . . 4287 1 73 . 1 1 14 14 THR H H 1 8.262 0.02 . 1 . . . . . . . . 4287 1 74 . 1 1 14 14 THR HA H 1 4.707 0.02 . 1 . . . . . . . . 4287 1 75 . 1 1 14 14 THR HB H 1 4.290 0.02 . 1 . . . . . . . . 4287 1 76 . 1 1 14 14 THR HG21 H 1 1.346 0.02 . 2 . . . . . . . . 4287 1 77 . 1 1 14 14 THR HG22 H 1 1.346 0.02 . 2 . . . . . . . . 4287 1 78 . 1 1 14 14 THR HG23 H 1 1.346 0.02 . 2 . . . . . . . . 4287 1 79 . 1 1 16 16 PHE N N 15 120.368 0.05 . 1 . . . . . . . . 4287 1 80 . 1 1 16 16 PHE H H 1 8.286 0.02 . 1 . . . . . . . . 4287 1 81 . 1 1 16 16 PHE HA H 1 4.681 0.02 . 1 . . . . . . . . 4287 1 82 . 1 1 16 16 PHE HB2 H 1 3.203 0.02 . 1 . . . . . . . . 4287 1 83 . 1 1 16 16 PHE HB3 H 1 3.203 0.02 . 1 . . . . . . . . 4287 1 84 . 1 1 16 16 PHE HD1 H 1 7.347 0.02 . 1 . . . . . . . . 4287 1 85 . 1 1 16 16 PHE HD2 H 1 7.347 0.02 . 1 . . . . . . . . 4287 1 86 . 1 1 17 17 GLU N N 15 122.266 0.05 . 1 . . . . . . . . 4287 1 87 . 1 1 17 17 GLU H H 1 8.271 0.02 . 1 . . . . . . . . 4287 1 88 . 1 1 17 17 GLU HA H 1 4.365 0.02 . 1 . . . . . . . . 4287 1 89 . 1 1 17 17 GLU HB2 H 1 2.028 0.02 . 2 . . . . . . . . 4287 1 90 . 1 1 17 17 GLU HB3 H 1 2.142 0.02 . 2 . . . . . . . . 4287 1 91 . 1 1 17 17 GLU HG2 H 1 2.420 0.02 . 1 . . . . . . . . 4287 1 92 . 1 1 17 17 GLU HG3 H 1 2.420 0.02 . 1 . . . . . . . . 4287 1 93 . 1 1 18 18 GLU N N 15 121.639 0.05 . 1 . . . . . . . . 4287 1 94 . 1 1 18 18 GLU H H 1 8.374 0.02 . 1 . . . . . . . . 4287 1 95 . 1 1 18 18 GLU HA H 1 4.378 0.02 . 1 . . . . . . . . 4287 1 96 . 1 1 18 18 GLU HB2 H 1 2.053 0.02 . 2 . . . . . . . . 4287 1 97 . 1 1 18 18 GLU HB3 H 1 2.117 0.02 . 2 . . . . . . . . 4287 1 98 . 1 1 18 18 GLU HG2 H 1 2.433 0.02 . 1 . . . . . . . . 4287 1 99 . 1 1 18 18 GLU HG3 H 1 2.433 0.02 . 1 . . . . . . . . 4287 1 100 . 1 1 19 19 SER N N 15 116.501 0.05 . 1 . . . . . . . . 4287 1 101 . 1 1 19 19 SER H H 1 8.347 0.02 . 1 . . . . . . . . 4287 1 102 . 1 1 19 19 SER HA H 1 4.504 0.02 . 1 . . . . . . . . 4287 1 103 . 1 1 19 19 SER HB2 H 1 3.936 0.02 . 1 . . . . . . . . 4287 1 104 . 1 1 19 19 SER HB3 H 1 3.936 0.02 . 1 . . . . . . . . 4287 1 105 . 1 1 20 20 TYR N N 15 122.107 0.05 . 1 . . . . . . . . 4287 1 106 . 1 1 20 20 TYR H H 1 8.178 0.02 . 1 . . . . . . . . 4287 1 107 . 1 1 20 20 TYR HA H 1 4.694 0.02 . 1 . . . . . . . . 4287 1 108 . 1 1 20 20 TYR HB2 H 1 3.065 0.02 . 2 . . . . . . . . 4287 1 109 . 1 1 20 20 TYR HB3 H 1 3.191 0.02 . 2 . . . . . . . . 4287 1 110 . 1 1 20 20 TYR HD1 H 1 7.195 0.02 . 1 . . . . . . . . 4287 1 111 . 1 1 20 20 TYR HD2 H 1 7.195 0.02 . 1 . . . . . . . . 4287 1 112 . 1 1 21 21 GLU N N 15 121.617 0.05 . 1 . . . . . . . . 4287 1 113 . 1 1 21 21 GLU H H 1 8.285 0.02 . 1 . . . . . . . . 4287 1 114 . 1 1 21 21 GLU HA H 1 4.403 0.02 . 1 . . . . . . . . 4287 1 115 . 1 1 21 21 GLU HB2 H 1 2.041 0.02 . 2 . . . . . . . . 4287 1 116 . 1 1 21 21 GLU HB3 H 1 2.143 0.02 . 2 . . . . . . . . 4287 1 117 . 1 1 21 21 GLU HG2 H 1 2.420 0.02 . 1 . . . . . . . . 4287 1 118 . 1 1 21 21 GLU HG3 H 1 2.420 0.02 . 1 . . . . . . . . 4287 1 119 . 1 1 22 22 LEU N N 15 122.884 0.05 . 1 . . . . . . . . 4287 1 120 . 1 1 22 22 LEU H H 1 8.205 0.02 . 1 . . . . . . . . 4287 1 121 . 1 1 22 22 LEU HA H 1 4.429 0.02 . 1 . . . . . . . . 4287 1 122 . 1 1 22 22 LEU HB2 H 1 1.725 0.02 . 1 . . . . . . . . 4287 1 123 . 1 1 22 22 LEU HB3 H 1 1.725 0.02 . 1 . . . . . . . . 4287 1 124 . 1 1 22 22 LEU HD11 H 1 1.018 0.02 . 1 . . . . . . . . 4287 1 125 . 1 1 22 22 LEU HD12 H 1 1.018 0.02 . 1 . . . . . . . . 4287 1 126 . 1 1 22 22 LEU HD13 H 1 1.018 0.02 . 1 . . . . . . . . 4287 1 127 . 1 1 22 22 LEU HD21 H 1 1.018 0.02 . 1 . . . . . . . . 4287 1 128 . 1 1 22 22 LEU HD22 H 1 1.018 0.02 . 1 . . . . . . . . 4287 1 129 . 1 1 22 22 LEU HD23 H 1 1.018 0.02 . 1 . . . . . . . . 4287 1 130 . 1 1 23 23 ASP N N 15 121.060 0.05 . 1 . . . . . . . . 4287 1 131 . 1 1 23 23 ASP H H 1 8.412 0.02 . 1 . . . . . . . . 4287 1 132 . 1 1 23 23 ASP HA H 1 4.757 0.02 . 1 . . . . . . . . 4287 1 133 . 1 1 23 23 ASP HB2 H 1 2.799 0.02 . 2 . . . . . . . . 4287 1 134 . 1 1 23 23 ASP HB3 H 1 2.913 0.02 . 2 . . . . . . . . 4287 1 135 . 1 1 24 24 GLU N N 15 121.652 0.05 . 1 . . . . . . . . 4287 1 136 . 1 1 24 24 GLU H H 1 8.504 0.02 . 1 . . . . . . . . 4287 1 137 . 1 1 24 24 GLU HA H 1 4.429 0.02 . 1 . . . . . . . . 4287 1 138 . 1 1 24 24 GLU HB2 H 1 2.105 0.02 . 2 . . . . . . . . 4287 1 139 . 1 1 24 24 GLU HB3 H 1 2.243 0.02 . 2 . . . . . . . . 4287 1 140 . 1 1 24 24 GLU HG2 H 1 2.483 0.02 . 1 . . . . . . . . 4287 1 141 . 1 1 24 24 GLU HG3 H 1 2.483 0.02 . 1 . . . . . . . . 4287 1 142 . 1 1 25 25 GLY N N 15 109.590 0.05 . 1 . . . . . . . . 4287 1 143 . 1 1 25 25 GLY H H 1 8.564 0.02 . 1 . . . . . . . . 4287 1 144 . 1 1 25 25 GLY HA2 H 1 4.113 0.02 . 1 . . . . . . . . 4287 1 145 . 1 1 25 25 GLY HA3 H 1 4.113 0.02 . 1 . . . . . . . . 4287 1 146 . 1 1 26 26 SER N N 15 115.809 0.05 . 1 . . . . . . . . 4287 1 147 . 1 1 26 26 SER H H 1 8.268 0.02 . 1 . . . . . . . . 4287 1 148 . 1 1 26 26 SER HA H 1 4.618 0.02 . 1 . . . . . . . . 4287 1 149 . 1 1 26 26 SER HB2 H 1 4.037 0.02 . 1 . . . . . . . . 4287 1 150 . 1 1 26 26 SER HB3 H 1 4.037 0.02 . 1 . . . . . . . . 4287 1 151 . 1 1 27 27 SER N N 15 117.910 0.05 . 1 . . . . . . . . 4287 1 152 . 1 1 27 27 SER H H 1 8.447 0.02 . 1 . . . . . . . . 4287 1 153 . 1 1 27 27 SER HA H 1 4.605 0.02 . 1 . . . . . . . . 4287 1 154 . 1 1 27 27 SER HB2 H 1 4.050 0.02 . 1 . . . . . . . . 4287 1 155 . 1 1 27 27 SER HB3 H 1 4.050 0.02 . 1 . . . . . . . . 4287 1 156 . 1 1 28 28 ALA N N 15 126.003 0.05 . 1 . . . . . . . . 4287 1 157 . 1 1 28 28 ALA H H 1 8.337 0.02 . 1 . . . . . . . . 4287 1 158 . 1 1 28 28 ALA HA H 1 4.479 0.02 . 1 . . . . . . . . 4287 1 159 . 1 1 28 28 ALA HB1 H 1 1.511 0.02 . 1 . . . . . . . . 4287 1 160 . 1 1 28 28 ALA HB2 H 1 1.511 0.02 . 1 . . . . . . . . 4287 1 161 . 1 1 28 28 ALA HB3 H 1 1.511 0.02 . 1 . . . . . . . . 4287 1 162 . 1 1 29 29 ILE N N 15 119.668 0.05 . 1 . . . . . . . . 4287 1 163 . 1 1 29 29 ILE H H 1 8.101 0.02 . 1 . . . . . . . . 4287 1 164 . 1 1 29 29 ILE HA H 1 4.239 0.02 . 1 . . . . . . . . 4287 1 165 . 1 1 29 29 ILE HB H 1 1.991 0.02 . 1 . . . . . . . . 4287 1 166 . 1 1 29 29 ILE HG21 H 1 1.334 0.02 . 1 . . . . . . . . 4287 1 167 . 1 1 29 29 ILE HG22 H 1 1.334 0.02 . 1 . . . . . . . . 4287 1 168 . 1 1 29 29 ILE HG23 H 1 1.334 0.02 . 1 . . . . . . . . 4287 1 169 . 1 1 29 29 ILE HG12 H 1 1.612 0.02 . 1 . . . . . . . . 4287 1 170 . 1 1 29 29 ILE HG13 H 1 1.612 0.02 . 1 . . . . . . . . 4287 1 171 . 1 1 29 29 ILE HD11 H 1 1.031 0.02 . 1 . . . . . . . . 4287 1 172 . 1 1 29 29 ILE HD12 H 1 1.031 0.02 . 1 . . . . . . . . 4287 1 173 . 1 1 29 29 ILE HD13 H 1 1.031 0.02 . 1 . . . . . . . . 4287 1 174 . 1 1 30 30 GLY N N 15 112.870 0.05 . 1 . . . . . . . . 4287 1 175 . 1 1 30 30 GLY H H 1 8.513 0.02 . 1 . . . . . . . . 4287 1 176 . 1 1 30 30 GLY HA2 H 1 4.075 0.02 . 1 . . . . . . . . 4287 1 177 . 1 1 30 30 GLY HA3 H 1 4.075 0.02 . 1 . . . . . . . . 4287 1 178 . 1 1 31 31 ALA N N 15 123.981 0.05 . 1 . . . . . . . . 4287 1 179 . 1 1 31 31 ALA H H 1 8.225 0.02 . 1 . . . . . . . . 4287 1 180 . 1 1 31 31 ALA HA H 1 4.429 0.02 . 1 . . . . . . . . 4287 1 181 . 1 1 31 31 ALA HB1 H 1 1.511 0.02 . 1 . . . . . . . . 4287 1 182 . 1 1 31 31 ALA HB2 H 1 1.511 0.02 . 1 . . . . . . . . 4287 1 183 . 1 1 31 31 ALA HB3 H 1 1.511 0.02 . 1 . . . . . . . . 4287 1 184 . 1 1 32 32 GLU N N 15 119.577 0.05 . 1 . . . . . . . . 4287 1 185 . 1 1 32 32 GLU H H 1 8.546 0.02 . 1 . . . . . . . . 4287 1 186 . 1 1 32 32 GLU HA H 1 4.416 0.02 . 1 . . . . . . . . 4287 1 187 . 1 1 32 32 GLU HB2 H 1 2.079 0.02 . 2 . . . . . . . . 4287 1 188 . 1 1 32 32 GLU HB3 H 1 2.193 0.02 . 2 . . . . . . . . 4287 1 189 . 1 1 32 32 GLU HG2 H 1 2.445 0.02 . 1 . . . . . . . . 4287 1 190 . 1 1 32 32 GLU HG3 H 1 2.445 0.02 . 1 . . . . . . . . 4287 1 191 . 1 1 33 33 GLY N N 15 109.448 0.05 . 1 . . . . . . . . 4287 1 192 . 1 1 33 33 GLY H H 1 8.494 0.02 . 1 . . . . . . . . 4287 1 193 . 1 1 33 33 GLY HA2 H 1 4.088 0.02 . 1 . . . . . . . . 4287 1 194 . 1 1 33 33 GLY HA3 H 1 4.088 0.02 . 1 . . . . . . . . 4287 1 195 . 1 1 34 34 HIS N N 15 118.362 0.05 . 1 . . . . . . . . 4287 1 196 . 1 1 34 34 HIS H H 1 8.553 0.02 . 1 . . . . . . . . 4287 1 197 . 1 1 34 34 HIS HA H 1 4.820 0.02 . 1 . . . . . . . . 4287 1 198 . 1 1 34 34 HIS HB2 H 1 3.380 0.02 . 1 . . . . . . . . 4287 1 199 . 1 1 34 34 HIS HB3 H 1 3.380 0.02 . 1 . . . . . . . . 4287 1 200 . 1 1 35 35 ASP N N 15 120.736 0.05 . 1 . . . . . . . . 4287 1 201 . 1 1 35 35 ASP H H 1 8.632 0.02 . 1 . . . . . . . . 4287 1 202 . 1 1 35 35 ASP HA H 1 4.858 0.02 . 1 . . . . . . . . 4287 1 203 . 1 1 35 35 ASP HB2 H 1 2.862 0.02 . 1 . . . . . . . . 4287 1 204 . 1 1 35 35 ASP HB3 H 1 2.862 0.02 . 1 . . . . . . . . 4287 1 205 . 1 1 36 36 PHE N N 15 121.060 0.05 . 1 . . . . . . . . 4287 1 206 . 1 1 36 36 PHE H H 1 8.316 0.02 . 1 . . . . . . . . 4287 1 207 . 1 1 36 36 PHE HA H 1 4.719 0.02 . 1 . . . . . . . . 4287 1 208 . 1 1 36 36 PHE HB2 H 1 3.191 0.02 . 1 . . . . . . . . 4287 1 209 . 1 1 36 36 PHE HB3 H 1 3.191 0.02 . 1 . . . . . . . . 4287 1 210 . 1 1 36 36 PHE HD1 H 1 7.334 0.02 . 1 . . . . . . . . 4287 1 211 . 1 1 36 36 PHE HD2 H 1 7.334 0.02 . 1 . . . . . . . . 4287 1 212 . 1 1 37 37 VAL N N 15 122.804 0.05 . 1 . . . . . . . . 4287 1 213 . 1 1 37 37 VAL H H 1 8.385 0.02 . 1 . . . . . . . . 4287 1 214 . 1 1 37 37 VAL HA H 1 4.317 0.00 . 1 . . . . . . . . 4287 1 215 . 1 1 37 37 VAL HB H 1 1.864 0.02 . 1 . . . . . . . . 4287 1 216 . 1 1 38 38 GLY N N 15 110.500 0.05 . 1 . . . . . . . . 4287 1 217 . 1 1 38 38 GLY H H 1 8.522 0.02 . 1 . . . . . . . . 4287 1 218 . 1 1 38 38 GLY HA2 H 1 4.024 0.02 . 1 . . . . . . . . 4287 1 219 . 1 1 38 38 GLY HA3 H 1 4.024 0.02 . 1 . . . . . . . . 4287 1 220 . 1 1 39 39 PHE N N 15 124.583 0.05 . 1 . . . . . . . . 4287 1 221 . 1 1 39 39 PHE H H 1 7.709 0.02 . 1 . . . . . . . . 4287 1 222 . 1 1 39 39 PHE HA H 1 4.530 0.02 . 1 . . . . . . . . 4287 1 223 . 1 1 39 39 PHE HB2 H 1 3.039 0.02 . 2 . . . . . . . . 4287 1 224 . 1 1 39 39 PHE HB3 H 1 3.203 0.02 . 2 . . . . . . . . 4287 1 225 . 1 1 229 229 GLU N N 15 122.047 0.05 . 1 . . . . . . . . 4287 1 226 . 1 1 229 229 GLU H H 1 8.601 0.02 . 1 . . . . . . . . 4287 1 227 . 1 1 229 229 GLU HA H 1 4.467 0.02 . 1 . . . . . . . . 4287 1 228 . 1 1 229 229 GLU HB2 H 1 2.116 0.02 . 2 . . . . . . . . 4287 1 229 . 1 1 229 229 GLU HB3 H 1 2.218 0.02 . 2 . . . . . . . . 4287 1 230 . 1 1 229 229 GLU HG2 H 1 2.483 0.02 . 1 . . . . . . . . 4287 1 231 . 1 1 229 229 GLU HG3 H 1 2.483 0.02 . 1 . . . . . . . . 4287 1 232 . 1 1 230 230 ASN N N 15 120.248 0.05 . 1 . . . . . . . . 4287 1 233 . 1 1 230 230 ASN H H 1 8.635 0.02 . 1 . . . . . . . . 4287 1 234 . 1 1 230 230 ASN HA H 1 4.871 0.02 . 1 . . . . . . . . 4287 1 235 . 1 1 230 230 ASN HB2 H 1 2.900 0.02 . 2 . . . . . . . . 4287 1 236 . 1 1 230 230 ASN HB3 H 1 2.964 0.02 . 2 . . . . . . . . 4287 1 237 . 1 1 231 231 VAL N N 15 119.890 0.05 . 1 . . . . . . . . 4287 1 238 . 1 1 231 231 VAL H H 1 8.175 0.02 . 1 . . . . . . . . 4287 1 239 . 1 1 231 231 VAL HA H 1 4.277 0.02 . 1 . . . . . . . . 4287 1 240 . 1 1 231 231 VAL HB H 1 2.243 0.02 . 1 . . . . . . . . 4287 1 241 . 1 1 231 231 VAL HG11 H 1 1.056 0.02 . 1 . . . . . . . . 4287 1 242 . 1 1 231 231 VAL HG12 H 1 1.056 0.02 . 1 . . . . . . . . 4287 1 243 . 1 1 231 231 VAL HG13 H 1 1.056 0.02 . 1 . . . . . . . . 4287 1 244 . 1 1 231 231 VAL HG21 H 1 1.056 0.02 . 1 . . . . . . . . 4287 1 245 . 1 1 231 231 VAL HG22 H 1 1.056 0.02 . 1 . . . . . . . . 4287 1 246 . 1 1 231 231 VAL HG23 H 1 1.056 0.02 . 1 . . . . . . . . 4287 1 247 . 1 1 232 232 ASP N N 15 123.545 0.05 . 1 . . . . . . . . 4287 1 248 . 1 1 232 232 ASP H H 1 8.514 0.02 . 1 . . . . . . . . 4287 1 249 . 1 1 232 232 ASP HA H 1 4.820 0.02 . 1 . . . . . . . . 4287 1 250 . 1 1 232 232 ASP HB2 H 1 2.773 0.02 . 2 . . . . . . . . 4287 1 251 . 1 1 232 232 ASP HB3 H 1 2.875 0.02 . 2 . . . . . . . . 4287 1 252 . 1 1 233 233 VAL N N 15 120.393 0.05 . 1 . . . . . . . . 4287 1 253 . 1 1 233 233 VAL H H 1 8.133 0.02 . 1 . . . . . . . . 4287 1 254 . 1 1 233 233 VAL HA H 1 4.252 0.02 . 1 . . . . . . . . 4287 1 255 . 1 1 233 233 VAL HB H 1 2.231 0.02 . 1 . . . . . . . . 4287 1 256 . 1 1 233 233 VAL HG11 H 1 1.056 0.02 . 1 . . . . . . . . 4287 1 257 . 1 1 233 233 VAL HG12 H 1 1.056 0.02 . 1 . . . . . . . . 4287 1 258 . 1 1 233 233 VAL HG13 H 1 1.056 0.02 . 1 . . . . . . . . 4287 1 259 . 1 1 233 233 VAL HG21 H 1 1.056 0.02 . 1 . . . . . . . . 4287 1 260 . 1 1 233 233 VAL HG22 H 1 1.056 0.02 . 1 . . . . . . . . 4287 1 261 . 1 1 233 233 VAL HG23 H 1 1.056 0.02 . 1 . . . . . . . . 4287 1 262 . 1 1 234 234 ILE N N 15 124.329 0.05 . 1 . . . . . . . . 4287 1 263 . 1 1 234 234 ILE H H 1 8.228 0.02 . 1 . . . . . . . . 4287 1 264 . 1 1 234 234 ILE HA H 1 4.252 0.02 . 1 . . . . . . . . 4287 1 265 . 1 1 234 234 ILE HB H 1 1.991 0.02 . 1 . . . . . . . . 4287 1 266 . 1 1 234 234 ILE HG21 H 1 1.321 0.02 . 1 . . . . . . . . 4287 1 267 . 1 1 234 234 ILE HG22 H 1 1.321 0.02 . 1 . . . . . . . . 4287 1 268 . 1 1 234 234 ILE HG23 H 1 1.321 0.02 . 1 . . . . . . . . 4287 1 269 . 1 1 234 234 ILE HG12 H 1 1.599 0.02 . 1 . . . . . . . . 4287 1 270 . 1 1 234 234 ILE HG13 H 1 1.599 0.02 . 1 . . . . . . . . 4287 1 271 . 1 1 234 234 ILE HD11 H 1 1.031 0.02 . 1 . . . . . . . . 4287 1 272 . 1 1 234 234 ILE HD12 H 1 1.031 0.02 . 1 . . . . . . . . 4287 1 273 . 1 1 234 234 ILE HD13 H 1 1.031 0.02 . 1 . . . . . . . . 4287 1 274 . 1 1 235 235 ASP N N 15 124.290 0.05 . 1 . . . . . . . . 4287 1 275 . 1 1 235 235 ASP H H 1 8.467 0.02 . 1 . . . . . . . . 4287 1 276 . 1 1 235 235 ASP HA H 1 4.770 0.02 . 1 . . . . . . . . 4287 1 277 . 1 1 235 235 ASP HB2 H 1 2.774 0.02 . 2 . . . . . . . . 4287 1 278 . 1 1 235 235 ASP HB3 H 1 2.926 0.02 . 2 . . . . . . . . 4287 1 279 . 1 1 236 236 LYS N N 15 122.605 0.05 . 1 . . . . . . . . 4287 1 280 . 1 1 236 236 LYS H H 1 8.372 0.02 . 1 . . . . . . . . 4287 1 281 . 1 1 236 236 LYS HA H 1 4.403 0.02 . 1 . . . . . . . . 4287 1 282 . 1 1 236 236 LYS HB2 H 1 1.876 0.02 . 2 . . . . . . . . 4287 1 283 . 1 1 236 236 LYS HB3 H 1 1.978 0.02 . 2 . . . . . . . . 4287 1 284 . 1 1 236 236 LYS HG2 H 1 1.561 0.02 . 1 . . . . . . . . 4287 1 285 . 1 1 236 236 LYS HG3 H 1 1.561 0.02 . 1 . . . . . . . . 4287 1 286 . 1 1 237 237 ASN N N 15 119.766 0.05 . 1 . . . . . . . . 4287 1 287 . 1 1 237 237 ASN H H 1 8.608 0.02 . 1 . . . . . . . . 4287 1 288 . 1 1 237 237 ASN HA H 1 4.846 0.02 . 1 . . . . . . . . 4287 1 289 . 1 1 237 237 ASN HB2 H 1 2.951 0.02 . 1 . . . . . . . . 4287 1 290 . 1 1 237 237 ASN HB3 H 1 2.951 0.02 . 1 . . . . . . . . 4287 1 291 . 1 1 238 238 VAL N N 15 120.307 0.05 . 1 . . . . . . . . 4287 1 292 . 1 1 238 238 VAL H H 1 8.103 0.02 . 1 . . . . . . . . 4287 1 293 . 1 1 238 238 VAL HA H 1 4.239 0.02 . 1 . . . . . . . . 4287 1 294 . 1 1 238 238 VAL HB H 1 2.256 0.02 . 1 . . . . . . . . 4287 1 295 . 1 1 238 238 VAL HG11 H 1 1.081 0.02 . 1 . . . . . . . . 4287 1 296 . 1 1 238 238 VAL HG12 H 1 1.081 0.02 . 1 . . . . . . . . 4287 1 297 . 1 1 238 238 VAL HG13 H 1 1.081 0.02 . 1 . . . . . . . . 4287 1 298 . 1 1 238 238 VAL HG21 H 1 1.081 0.02 . 1 . . . . . . . . 4287 1 299 . 1 1 238 238 VAL HG22 H 1 1.081 0.02 . 1 . . . . . . . . 4287 1 300 . 1 1 238 238 VAL HG23 H 1 1.081 0.02 . 1 . . . . . . . . 4287 1 301 . 1 1 239 239 GLU N N 15 123.499 0.05 . 1 . . . . . . . . 4287 1 302 . 1 1 239 239 GLU H H 1 8.490 0.02 . 1 . . . . . . . . 4287 1 303 . 1 1 239 239 GLU HA H 1 4.429 0.02 . 1 . . . . . . . . 4287 1 304 . 1 1 239 239 GLU HB2 H 1 2.104 0.02 . 2 . . . . . . . . 4287 1 305 . 1 1 239 239 GLU HB3 H 1 2.230 0.02 . 2 . . . . . . . . 4287 1 306 . 1 1 239 239 GLU HG2 H 1 2.483 0.02 . 1 . . . . . . . . 4287 1 307 . 1 1 239 239 GLU HG3 H 1 2.483 0.02 . 1 . . . . . . . . 4287 1 308 . 1 1 240 240 ASP N N 15 121.226 0.05 . 1 . . . . . . . . 4287 1 309 . 1 1 240 240 ASP H H 1 8.421 0.02 . 1 . . . . . . . . 4287 1 310 . 1 1 240 240 ASP HA H 1 4.719 0.02 . 1 . . . . . . . . 4287 1 311 . 1 1 240 240 ASP HB2 H 1 2.811 0.02 . 2 . . . . . . . . 4287 1 312 . 1 1 240 240 ASP HB3 H 1 2.913 0.02 . 2 . . . . . . . . 4287 1 313 . 1 1 241 241 ALA N N 15 124.415 0.05 . 1 . . . . . . . . 4287 1 314 . 1 1 241 241 ALA H H 1 8.274 0.02 . 1 . . . . . . . . 4287 1 315 . 1 1 241 241 ALA HA H 1 4.403 0.02 . 1 . . . . . . . . 4287 1 316 . 1 1 241 241 ALA HB1 H 1 1.536 0.02 . 1 . . . . . . . . 4287 1 317 . 1 1 241 241 ALA HB2 H 1 1.536 0.02 . 1 . . . . . . . . 4287 1 318 . 1 1 241 241 ALA HB3 H 1 1.536 0.02 . 1 . . . . . . . . 4287 1 319 . 1 1 242 242 GLN N N 15 118.769 0.05 . 1 . . . . . . . . 4287 1 320 . 1 1 242 242 GLN H H 1 8.379 0.02 . 1 . . . . . . . . 4287 1 321 . 1 1 242 242 GLN HA H 1 4.403 0.02 . 1 . . . . . . . . 4287 1 322 . 1 1 242 242 GLN HB2 H 1 2.155 0.02 . 2 . . . . . . . . 4287 1 323 . 1 1 242 242 GLN HB3 H 1 2.243 0.02 . 2 . . . . . . . . 4287 1 324 . 1 1 242 242 GLN HG2 H 1 2.509 0.02 . 1 . . . . . . . . 4287 1 325 . 1 1 242 242 GLN HG3 H 1 2.509 0.02 . 1 . . . . . . . . 4287 1 326 . 1 1 243 243 LEU N N 15 122.618 0.05 . 1 . . . . . . . . 4287 1 327 . 1 1 243 243 LEU H H 1 8.187 0.02 . 1 . . . . . . . . 4287 1 328 . 1 1 243 243 LEU HA H 1 4.416 0.02 . 1 . . . . . . . . 4287 1 329 . 1 1 243 243 LEU HB2 H 1 1.751 0.02 . 1 . . . . . . . . 4287 1 330 . 1 1 243 243 LEU HB3 H 1 1.751 0.02 . 1 . . . . . . . . 4287 1 331 . 1 1 243 243 LEU HD11 H 1 1.018 0.02 . 1 . . . . . . . . 4287 1 332 . 1 1 243 243 LEU HD12 H 1 1.018 0.02 . 1 . . . . . . . . 4287 1 333 . 1 1 243 243 LEU HD13 H 1 1.018 0.02 . 1 . . . . . . . . 4287 1 334 . 1 1 243 243 LEU HD21 H 1 1.018 0.02 . 1 . . . . . . . . 4287 1 335 . 1 1 243 243 LEU HD22 H 1 1.018 0.02 . 1 . . . . . . . . 4287 1 336 . 1 1 243 243 LEU HD23 H 1 1.018 0.02 . 1 . . . . . . . . 4287 1 337 . 1 1 244 244 ASP N N 15 120.933 0.05 . 1 . . . . . . . . 4287 1 338 . 1 1 244 244 ASP H H 1 8.411 0.02 . 1 . . . . . . . . 4287 1 339 . 1 1 244 244 ASP HA H 1 4.782 0.02 . 1 . . . . . . . . 4287 1 340 . 1 1 244 244 ASP HB2 H 1 2.812 0.02 . 2 . . . . . . . . 4287 1 341 . 1 1 244 244 ASP HB3 H 1 2.926 0.02 . 2 . . . . . . . . 4287 1 342 . 1 1 245 245 VAL N N 15 119.837 0.05 . 1 . . . . . . . . 4287 1 343 . 1 1 245 245 VAL H H 1 8.075 0.02 . 1 . . . . . . . . 4287 1 344 . 1 1 245 245 VAL HA H 1 4.239 0.02 . 1 . . . . . . . . 4287 1 345 . 1 1 245 245 VAL HB H 1 2.243 0.02 . 1 . . . . . . . . 4287 1 346 . 1 1 245 245 VAL HG11 H 1 1.068 0.02 . 1 . . . . . . . . 4287 1 347 . 1 1 245 245 VAL HG12 H 1 1.068 0.02 . 1 . . . . . . . . 4287 1 348 . 1 1 245 245 VAL HG13 H 1 1.068 0.02 . 1 . . . . . . . . 4287 1 349 . 1 1 245 245 VAL HG21 H 1 1.068 0.02 . 1 . . . . . . . . 4287 1 350 . 1 1 245 245 VAL HG22 H 1 1.068 0.02 . 1 . . . . . . . . 4287 1 351 . 1 1 245 245 VAL HG23 H 1 1.068 0.02 . 1 . . . . . . . . 4287 1 352 . 1 1 246 246 GLU N N 15 120.935 0.05 . 1 . . . . . . . . 4287 1 353 . 1 1 246 246 GLU H H 1 8.440 0.02 . 1 . . . . . . . . 4287 1 354 . 1 1 246 246 GLU HA H 1 4.429 0.02 . 1 . . . . . . . . 4287 1 355 . 1 1 246 246 GLU HB2 H 1 2.117 0.02 . 2 . . . . . . . . 4287 1 356 . 1 1 246 246 GLU HB3 H 1 2.243 0.02 . 2 . . . . . . . . 4287 1 357 . 1 1 246 246 GLU HG2 H 1 2.509 0.02 . 1 . . . . . . . . 4287 1 358 . 1 1 246 246 GLU HG3 H 1 2.509 0.02 . 1 . . . . . . . . 4287 1 359 . 1 1 247 247 GLN N N 15 122.571 0.05 . 1 . . . . . . . . 4287 1 360 . 1 1 247 247 GLN H H 1 8.403 0.02 . 1 . . . . . . . . 4287 1 361 . 1 1 247 247 GLN HA H 1 4.555 0.02 . 1 . . . . . . . . 4287 1 362 . 1 1 247 247 GLN HB2 H 1 2.130 0.02 . 2 . . . . . . . . 4287 1 363 . 1 1 247 247 GLN HB3 H 1 2.268 0.02 . 2 . . . . . . . . 4287 1 364 . 1 1 247 247 GLN HG2 H 1 2.496 0.02 . 1 . . . . . . . . 4287 1 365 . 1 1 247 247 GLN HG3 H 1 2.496 0.02 . 1 . . . . . . . . 4287 1 366 . 1 1 248 248 GLY N N 15 109.971 0.05 . 1 . . . . . . . . 4287 1 367 . 1 1 248 248 GLY H H 1 8.496 0.02 . 1 . . . . . . . . 4287 1 368 . 1 1 248 248 GLY HA2 H 1 4.125 0.02 . 1 . . . . . . . . 4287 1 369 . 1 1 248 248 GLY HA3 H 1 4.125 0.02 . 1 . . . . . . . . 4287 1 370 . 1 1 249 249 VAL N N 15 119.126 0.05 . 1 . . . . . . . . 4287 1 371 . 1 1 249 249 VAL H H 1 8.105 0.02 . 1 . . . . . . . . 4287 1 372 . 1 1 249 249 VAL HA H 1 4.264 0.02 . 1 . . . . . . . . 4287 1 373 . 1 1 249 249 VAL HB H 1 2.243 0.02 . 1 . . . . . . . . 4287 1 374 . 1 1 249 249 VAL HG11 H 1 1.056 0.02 . 1 . . . . . . . . 4287 1 375 . 1 1 249 249 VAL HG12 H 1 1.056 0.02 . 1 . . . . . . . . 4287 1 376 . 1 1 249 249 VAL HG13 H 1 1.056 0.02 . 1 . . . . . . . . 4287 1 377 . 1 1 249 249 VAL HG21 H 1 1.056 0.02 . 1 . . . . . . . . 4287 1 378 . 1 1 249 249 VAL HG22 H 1 1.056 0.02 . 1 . . . . . . . . 4287 1 379 . 1 1 249 249 VAL HG23 H 1 1.056 0.02 . 1 . . . . . . . . 4287 1 380 . 1 1 250 250 GLY N N 15 112.175 0.05 . 1 . . . . . . . . 4287 1 381 . 1 1 250 250 GLY H H 1 8.618 0.02 . 1 . . . . . . . . 4287 1 382 . 1 1 250 250 GLY HA2 H 1 4.075 0.02 . 1 . . . . . . . . 4287 1 383 . 1 1 250 250 GLY HA3 H 1 4.075 0.02 . 1 . . . . . . . . 4287 1 384 . 1 1 251 251 HIS N N 15 118.468 0.05 . 1 . . . . . . . . 4287 1 385 . 1 1 251 251 HIS H H 1 8.494 0.02 . 1 . . . . . . . . 4287 1 386 . 1 1 251 251 HIS HA H 1 4.896 0.02 . 1 . . . . . . . . 4287 1 387 . 1 1 251 251 HIS HB2 H 1 3.317 0.02 . 2 . . . . . . . . 4287 1 388 . 1 1 251 251 HIS HB3 H 1 3.443 0.02 . 2 . . . . . . . . 4287 1 389 . 1 1 252 252 THR N N 15 115.710 0.05 . 1 . . . . . . . . 4287 1 390 . 1 1 252 252 THR H H 1 8.354 0.02 . 1 . . . . . . . . 4287 1 391 . 1 1 252 252 THR HA H 1 4.517 0.02 . 1 . . . . . . . . 4287 1 392 . 1 1 252 252 THR HB H 1 4.365 0.02 . 1 . . . . . . . . 4287 1 393 . 1 1 252 252 THR HG21 H 1 1.334 0.02 . 2 . . . . . . . . 4287 1 394 . 1 1 252 252 THR HG22 H 1 1.334 0.02 . 2 . . . . . . . . 4287 1 395 . 1 1 252 252 THR HG23 H 1 1.334 0.02 . 2 . . . . . . . . 4287 1 396 . 1 1 253 253 ASP N N 15 123.286 0.05 . 1 . . . . . . . . 4287 1 397 . 1 1 253 253 ASP H H 1 8.614 0.02 . 1 . . . . . . . . 4287 1 398 . 1 1 253 253 ASP HA H 1 4.770 0.02 . 1 . . . . . . . . 4287 1 399 . 1 1 253 253 ASP HB2 H 1 2.837 0.02 . 1 . . . . . . . . 4287 1 400 . 1 1 253 253 ASP HB3 H 1 2.837 0.02 . 1 . . . . . . . . 4287 1 401 . 1 1 254 254 LYS N N 15 122.034 0.05 . 1 . . . . . . . . 4287 1 402 . 1 1 254 254 LYS H H 1 8.377 0.02 . 1 . . . . . . . . 4287 1 403 . 1 1 254 254 LYS HA H 1 4.403 0.02 . 1 . . . . . . . . 4287 1 404 . 1 1 254 254 LYS HB2 H 1 1.889 0.02 . 2 . . . . . . . . 4287 1 405 . 1 1 254 254 LYS HB3 H 1 1.991 0.02 . 2 . . . . . . . . 4287 1 406 . 1 1 254 254 LYS HG2 H 1 1.574 0.02 . 1 . . . . . . . . 4287 1 407 . 1 1 254 254 LYS HG3 H 1 1.574 0.02 . 1 . . . . . . . . 4287 1 408 . 1 1 255 255 ALA N N 15 124.827 0.05 . 1 . . . . . . . . 4287 1 409 . 1 1 255 255 ALA H H 1 8.366 0.02 . 1 . . . . . . . . 4287 1 410 . 1 1 255 255 ALA HA H 1 4.429 0.02 . 1 . . . . . . . . 4287 1 411 . 1 1 255 255 ALA HB1 H 1 1.523 0.02 . 1 . . . . . . . . 4287 1 412 . 1 1 255 255 ALA HB2 H 1 1.523 0.02 . 1 . . . . . . . . 4287 1 413 . 1 1 255 255 ALA HB3 H 1 1.523 0.02 . 1 . . . . . . . . 4287 1 414 . 1 1 256 256 VAL N N 15 119.848 0.05 . 1 . . . . . . . . 4287 1 415 . 1 1 256 256 VAL H H 1 8.130 0.02 . 1 . . . . . . . . 4287 1 416 . 1 1 256 256 VAL HA H 1 4.214 0.02 . 1 . . . . . . . . 4287 1 417 . 1 1 256 256 VAL HB H 1 2.218 0.02 . 1 . . . . . . . . 4287 1 418 . 1 1 256 256 VAL HG11 H 1 1.081 0.02 . 1 . . . . . . . . 4287 1 419 . 1 1 256 256 VAL HG12 H 1 1.081 0.02 . 1 . . . . . . . . 4287 1 420 . 1 1 256 256 VAL HG13 H 1 1.081 0.02 . 1 . . . . . . . . 4287 1 421 . 1 1 256 256 VAL HG21 H 1 1.081 0.02 . 1 . . . . . . . . 4287 1 422 . 1 1 256 256 VAL HG22 H 1 1.081 0.02 . 1 . . . . . . . . 4287 1 423 . 1 1 256 256 VAL HG23 H 1 1.081 0.02 . 1 . . . . . . . . 4287 1 424 . 1 1 257 257 LYS N N 15 125.148 0.05 . 1 . . . . . . . . 4287 1 425 . 1 1 257 257 LYS H H 1 8.485 0.02 . 1 . . . . . . . . 4287 1 426 . 1 1 257 257 LYS HA H 1 4.467 0.02 . 1 . . . . . . . . 4287 1 427 . 1 1 257 257 LYS HB2 H 1 1.940 0.02 . 1 . . . . . . . . 4287 1 428 . 1 1 257 257 LYS HB3 H 1 1.940 0.02 . 1 . . . . . . . . 4287 1 429 . 1 1 257 257 LYS HG2 H 1 1.574 0.02 . 1 . . . . . . . . 4287 1 430 . 1 1 257 257 LYS HG3 H 1 1.574 0.02 . 1 . . . . . . . . 4287 1 431 . 1 1 258 258 SER N N 15 116.969 0.05 . 1 . . . . . . . . 4287 1 432 . 1 1 258 258 SER H H 1 8.348 0.02 . 1 . . . . . . . . 4287 1 433 . 1 1 258 258 SER HA H 1 4.883 0.02 . 1 . . . . . . . . 4287 1 434 . 1 1 258 258 SER HB2 H 1 4.012 0.02 . 1 . . . . . . . . 4287 1 435 . 1 1 258 258 SER HB3 H 1 4.012 0.02 . 1 . . . . . . . . 4287 1 436 . 1 1 259 259 ALA N N 15 126.552 0.05 . 1 . . . . . . . . 4287 1 437 . 1 1 259 259 ALA H H 1 8.438 0.02 . 1 . . . . . . . . 4287 1 438 . 1 1 259 259 ALA HA H 1 4.542 0.02 . 1 . . . . . . . . 4287 1 439 . 1 1 259 259 ALA HB1 H 1 1.548 0.02 . 1 . . . . . . . . 4287 1 440 . 1 1 259 259 ALA HB2 H 1 1.548 0.02 . 1 . . . . . . . . 4287 1 441 . 1 1 259 259 ALA HB3 H 1 1.548 0.02 . 1 . . . . . . . . 4287 1 442 . 1 1 260 260 ARG N N 15 120.568 0.05 . 1 . . . . . . . . 4287 1 443 . 1 1 260 260 ARG H H 1 8.349 0.02 . 1 . . . . . . . . 4287 1 444 . 1 1 260 260 ARG HA H 1 4.467 0.02 . 1 . . . . . . . . 4287 1 445 . 1 1 260 260 ARG HB2 H 1 1.927 0.02 . 1 . . . . . . . . 4287 1 446 . 1 1 260 260 ARG HB3 H 1 1.927 0.02 . 1 . . . . . . . . 4287 1 447 . 1 1 260 260 ARG HG2 H 1 1.801 0.02 . 1 . . . . . . . . 4287 1 448 . 1 1 260 260 ARG HG3 H 1 1.801 0.02 . 1 . . . . . . . . 4287 1 449 . 1 1 261 261 LYS N N 15 123.057 0.05 . 1 . . . . . . . . 4287 1 450 . 1 1 261 261 LYS H H 1 8.398 0.02 . 1 . . . . . . . . 4287 1 451 . 1 1 261 261 LYS HA H 1 4.416 0.02 . 1 . . . . . . . . 4287 1 452 . 1 1 261 261 LYS HB2 H 1 1.876 0.02 . 2 . . . . . . . . 4287 1 453 . 1 1 261 261 LYS HB3 H 1 1.940 0.02 . 2 . . . . . . . . 4287 1 454 . 1 1 261 261 LYS HG2 H 1 1.586 0.02 . 1 . . . . . . . . 4287 1 455 . 1 1 261 261 LYS HG3 H 1 1.586 0.02 . 1 . . . . . . . . 4287 1 456 . 1 1 262 262 ALA N N 15 125.682 0.05 . 1 . . . . . . . . 4287 1 457 . 1 1 262 262 ALA H H 1 8.385 0.02 . 1 . . . . . . . . 4287 1 458 . 1 1 262 262 ALA HA H 1 4.429 0.02 . 1 . . . . . . . . 4287 1 459 . 1 1 262 262 ALA HB1 H 1 1.523 0.02 . 1 . . . . . . . . 4287 1 460 . 1 1 262 262 ALA HB2 H 1 1.523 0.02 . 1 . . . . . . . . 4287 1 461 . 1 1 262 262 ALA HB3 H 1 1.523 0.02 . 1 . . . . . . . . 4287 1 462 . 1 1 263 263 ARG N N 15 121.384 0.05 . 1 . . . . . . . . 4287 1 463 . 1 1 263 263 ARG H H 1 8.420 0.02 . 1 . . . . . . . . 4287 1 464 . 1 1 263 263 ARG HA H 1 4.441 0.02 . 1 . . . . . . . . 4287 1 465 . 1 1 263 263 ARG HB2 H 1 1.940 0.02 . 1 . . . . . . . . 4287 1 466 . 1 1 263 263 ARG HB3 H 1 1.940 0.02 . 1 . . . . . . . . 4287 1 467 . 1 1 263 263 ARG HG2 H 1 1.788 0.02 . 1 . . . . . . . . 4287 1 468 . 1 1 263 263 ARG HG3 H 1 1.788 0.02 . 1 . . . . . . . . 4287 1 469 . 1 1 264 264 LYS N N 15 123.072 0.05 . 1 . . . . . . . . 4287 1 470 . 1 1 264 264 LYS H H 1 8.498 0.02 . 1 . . . . . . . . 4287 1 471 . 1 1 264 264 LYS HA H 1 4.467 0.02 . 1 . . . . . . . . 4287 1 472 . 1 1 264 264 LYS HB2 H 1 1.889 0.02 . 2 . . . . . . . . 4287 1 473 . 1 1 264 264 LYS HB3 H 1 1.965 0.02 . 2 . . . . . . . . 4287 1 474 . 1 1 264 264 LYS HG2 H 1 1.561 0.02 . 1 . . . . . . . . 4287 1 475 . 1 1 264 264 LYS HG3 H 1 1.561 0.02 . 1 . . . . . . . . 4287 1 476 . 1 1 265 265 ASN N N 15 120.446 0.05 . 1 . . . . . . . . 4287 1 477 . 1 1 265 265 ASN H H 1 8.555 0.02 . 1 . . . . . . . . 4287 1 478 . 1 1 265 265 ASN HA H 1 4.833 0.02 . 1 . . . . . . . . 4287 1 479 . 1 1 265 265 ASN HB2 H 1 2.900 0.02 . 1 . . . . . . . . 4287 1 480 . 1 1 265 265 ASN HB3 H 1 2.900 0.02 . 1 . . . . . . . . 4287 1 481 . 1 1 266 266 LYS N N 15 122.248 0.05 . 1 . . . . . . . . 4287 1 482 . 1 1 266 266 LYS H H 1 8.391 0.02 . 1 . . . . . . . . 4287 1 483 . 1 1 266 266 LYS HA H 1 4.467 0.02 . 1 . . . . . . . . 4287 1 484 . 1 1 266 266 LYS HB2 H 1 1.890 0.02 . 2 . . . . . . . . 4287 1 485 . 1 1 266 266 LYS HB3 H 1 1.978 0.02 . 2 . . . . . . . . 4287 1 486 . 1 1 266 266 LYS HG2 H 1 1.574 0.02 . 1 . . . . . . . . 4287 1 487 . 1 1 266 266 LYS HG3 H 1 1.574 0.02 . 1 . . . . . . . . 4287 1 488 . 1 1 267 267 ILE N N 15 123.084 0.05 . 1 . . . . . . . . 4287 1 489 . 1 1 267 267 ILE H H 1 8.357 0.02 . 1 . . . . . . . . 4287 1 490 . 1 1 267 267 ILE HA H 1 4.302 0.02 . 1 . . . . . . . . 4287 1 491 . 1 1 267 267 ILE HB H 1 1.927 0.02 . 1 . . . . . . . . 4287 1 492 . 1 1 267 267 ILE HG21 H 1 1.334 0.02 . 1 . . . . . . . . 4287 1 493 . 1 1 267 267 ILE HG22 H 1 1.334 0.02 . 1 . . . . . . . . 4287 1 494 . 1 1 267 267 ILE HG23 H 1 1.334 0.02 . 1 . . . . . . . . 4287 1 495 . 1 1 267 267 ILE HG12 H 1 1.612 0.02 . 1 . . . . . . . . 4287 1 496 . 1 1 267 267 ILE HG13 H 1 1.612 0.02 . 1 . . . . . . . . 4287 1 497 . 1 1 267 267 ILE HD11 H 1 1.043 0.02 . 1 . . . . . . . . 4287 1 498 . 1 1 267 267 ILE HD12 H 1 1.043 0.02 . 1 . . . . . . . . 4287 1 499 . 1 1 267 267 ILE HD13 H 1 1.043 0.02 . 1 . . . . . . . . 4287 1 500 . 1 1 268 268 ARG N N 15 129.315 0.05 . 1 . . . . . . . . 4287 1 501 . 1 1 268 268 ARG H H 1 8.027 0.02 . 1 . . . . . . . . 4287 1 502 . 1 1 268 268 ARG HA H 1 4.290 0.02 . 1 . . . . . . . . 4287 1 503 . 1 1 268 268 ARG HB2 H 1 1.877 0.02 . 2 . . . . . . . . 4287 1 504 . 1 1 268 268 ARG HB3 H 1 1.991 0.02 . 2 . . . . . . . . 4287 1 505 . 1 1 268 268 ARG HG2 H 1 1.713 0.02 . 1 . . . . . . . . 4287 1 506 . 1 1 268 268 ARG HG3 H 1 1.713 0.02 . 1 . . . . . . . . 4287 1 stop_ save_