data_15149 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15149 _Entry.Title ; HMGB1 Full Length backbone assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-26 _Entry.Accession_date 2007-02-26 _Entry.Last_release_date 2007-06-05 _Entry.Original_release_date 2007-06-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Luca Mollica . . . 15149 2 Francesco 'De Marchis' . . . 15149 3 Andrea Spitaleri . . . 15149 4 Corrado Dallacosta . . . 15149 5 Moreno Zamai . . . 15149 6 Alessandra Agresti . . . 15149 7 Lisa Trisciuoglio . . . 15149 8 Marco Bianchi . E. . 15149 9 Giovanna Musco . . . 15149 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15149 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 152 15149 '1H chemical shifts' 152 15149 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 . . 2007-06-05 2007-02-26 original author . 15149 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15148 'HMGB1 AB boxes + basic tail' 15149 stop_ save_ ############### # Citations # ############### save_Citation _Citation.Sf_category citations _Citation.Sf_framecode Citation _Citation.Entry_ID 15149 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17462578 _Citation.Full_citation . _Citation.Title 'Glycyrrhizin binds to high-mobility group box 1 protein and inhibits its cytokine activities' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Chem. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 4 _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 431 _Citation.Page_last 441 _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 Luca Mollica . . . 15149 1 2 Francesco 'De Marchis' . . . 15149 1 3 Andrea Spitaleri . . . 15149 1 4 Corrado Dallacosta . . . 15149 1 5 Moreno Zamai . . . 15149 1 6 Alessandra Agresti . . . 15149 1 7 Lisa Trisciuoglio . . . 15149 1 8 Marco Bianchi . E. . 15149 1 9 Giovanna Musco . . . 15149 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15149 _Assembly.ID 1 _Assembly.Name 'HMGB1 Full Length' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 24762.5 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HMGB1 Full Length' 1 $HMGB1_Full_Length A . yes native no no . . . 15149 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HMGB1_Full_Length _Entity.Sf_category entity _Entity.Sf_framecode HMGB1_Full_Length _Entity.Entry_ID 15149 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HMGB1_Full_Length _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 ; GKGDPKKPRGKMSSYAFFVQ TCREEHKKKHPDASVNFSEF SKKCSERWKTMSAKEKGKFE DMAKADKARYEREMKTYIPP KGETKKKFKDPNAPKRPPSA FFLFCSEYRPKIKGEHPGLS IGDVAKKLGEMWNNTAADDK QPYEKKAAKLKEKYEKDIAA YRAKGKPDAAKKGVVKAEKS KKKKEEEDDEEDEEDEEEEE EEEDEDEEEDDDDE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 214 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 BMRB 11147 . "HMG box domain" . . . . . 77.10 173 100.00 100.00 1.04e-114 . . . . 15149 1 2 no BMRB 15148 . HMGB1_ABbtail . . . . . 87.38 187 100.00 100.00 1.87e-128 . . . . 15149 1 3 no BMRB 15502 . HMGB1 . . . . . 100.00 214 100.00 100.00 1.68e-145 . . . . 15149 1 4 no PDB 2YRQ . "Solution Structure Of The Tandem Hmg Box Domain From Human High Mobility Group Protein B1" . . . . . 77.10 173 100.00 100.00 1.04e-114 . . . . 15149 1 5 no DBJ BAA09924 . "HMG-1 [Homo sapiens]" . . . . . 100.00 215 97.66 98.60 6.82e-141 . . . . 15149 1 6 no DBJ BAC29902 . "unnamed protein product [Mus musculus]" . . . . . 100.00 215 100.00 100.00 1.30e-145 . . . . 15149 1 7 no DBJ BAC34367 . "unnamed protein product [Mus musculus]" . . . . . 82.71 178 100.00 100.00 7.55e-123 . . . . 15149 1 8 no DBJ BAC34773 . "unnamed protein product [Mus musculus]" . . . . . 100.00 215 99.07 99.07 1.56e-143 . . . . 15149 1 9 no DBJ BAC38678 . "unnamed protein product [Mus musculus]" . . . . . 84.11 181 100.00 100.00 8.99e-125 . . . . 15149 1 10 no EMBL CAA31110 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 215 99.07 100.00 2.28e-144 . . . . 15149 1 11 no EMBL CAA31284 . "unnamed protein product [Bos taurus]" . . . . . 100.00 215 98.60 100.00 1.19e-143 . . . . 15149 1 12 no EMBL CAA56631 . "high mobility group protein [Mus musculus]" . . . . . 100.00 215 99.53 100.00 6.69e-145 . . . . 15149 1 13 no EMBL CAA68441 . "high mobility group protein [Cricetulus griseus]" . . . . . 84.11 180 100.00 100.00 6.88e-118 . . . . 15149 1 14 no EMBL CAA68526 . "unnamed protein product [Rattus norvegicus]" . . . . . 100.00 215 100.00 100.00 1.30e-145 . . . . 15149 1 15 no GB AAA20508 . "HMG-1 [Mus musculus]" . . . . . 100.00 215 100.00 100.00 1.30e-145 . . . . 15149 1 16 no GB AAA31050 . "non-histone protein HMG1 [Sus scrofa]" . . . . . 100.00 215 98.13 99.53 9.91e-143 . . . . 15149 1 17 no GB AAA40729 . "Amphoterin [Rattus norvegicus]" . . . . . 100.00 215 100.00 100.00 1.30e-145 . . . . 15149 1 18 no GB AAA57042 . "high mobility group 1 protein [Mus musculus]" . . . . . 100.00 215 99.53 99.53 1.42e-144 . . . . 15149 1 19 no GB AAA64970 . "HMG-1 [Homo sapiens]" . . . . . 100.47 216 97.67 98.60 3.64e-140 . . . . 15149 1 20 no PIR S29857 . "nonhistone chromosomal protein HMG-1 - human" . . . . . 100.47 216 97.67 98.60 3.64e-140 . . . . 15149 1 21 no REF NP_001002937 . "high mobility group protein B1 [Canis lupus familiaris]" . . . . . 100.00 215 99.07 100.00 2.28e-144 . . . . 15149 1 22 no REF NP_001004034 . "high mobility group protein B1 [Sus scrofa]" . . . . . 100.00 215 98.13 99.53 9.91e-143 . . . . 15149 1 23 no REF NP_001075304 . "high mobility group protein B1 [Equus caballus]" . . . . . 100.00 215 99.07 100.00 2.28e-144 . . . . 15149 1 24 no REF NP_001102843 . "high mobility group box 1 like [Rattus norvegicus]" . . . . . 99.53 214 98.12 99.53 3.44e-142 . . . . 15149 1 25 no REF NP_001162380 . "high mobility group protein B1 [Papio anubis]" . . . . . 100.00 215 99.07 100.00 2.28e-144 . . . . 15149 1 26 no SP A9RA84 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 100.00 215 99.07 100.00 2.28e-144 . . . . 15149 1 27 no SP B0CM99 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 100.00 215 99.07 100.00 2.28e-144 . . . . 15149 1 28 no SP B1MTB0 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 100.00 215 99.07 100.00 2.28e-144 . . . . 15149 1 29 no SP P07156 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 84.11 180 100.00 100.00 6.88e-118 . . . . 15149 1 30 no SP P09429 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 100.00 215 99.07 100.00 2.28e-144 . . . . 15149 1 31 no TPG DAA21468 . "TPA: high-mobility group box 1-like [Bos taurus]" . . . . . 100.00 215 97.20 98.60 8.63e-142 . . . . 15149 1 32 no TPG DAA23902 . "TPA: high mobility group protein B1 [Bos taurus]" . . . . . 100.00 215 98.60 100.00 1.19e-143 . . . . 15149 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 15149 1 2 . LYS . 15149 1 3 . GLY . 15149 1 4 . ASP . 15149 1 5 . PRO . 15149 1 6 . LYS . 15149 1 7 . LYS . 15149 1 8 . PRO . 15149 1 9 . ARG . 15149 1 10 . GLY . 15149 1 11 . LYS . 15149 1 12 . MET . 15149 1 13 . SER . 15149 1 14 . SER . 15149 1 15 . TYR . 15149 1 16 . ALA . 15149 1 17 . PHE . 15149 1 18 . PHE . 15149 1 19 . VAL . 15149 1 20 . GLN . 15149 1 21 . THR . 15149 1 22 . CYS . 15149 1 23 . ARG . 15149 1 24 . GLU . 15149 1 25 . GLU . 15149 1 26 . HIS . 15149 1 27 . LYS . 15149 1 28 . LYS . 15149 1 29 . LYS . 15149 1 30 . HIS . 15149 1 31 . PRO . 15149 1 32 . ASP . 15149 1 33 . ALA . 15149 1 34 . SER . 15149 1 35 . VAL . 15149 1 36 . ASN . 15149 1 37 . PHE . 15149 1 38 . SER . 15149 1 39 . GLU . 15149 1 40 . PHE . 15149 1 41 . SER . 15149 1 42 . LYS . 15149 1 43 . LYS . 15149 1 44 . CYS . 15149 1 45 . SER . 15149 1 46 . GLU . 15149 1 47 . ARG . 15149 1 48 . TRP . 15149 1 49 . LYS . 15149 1 50 . THR . 15149 1 51 . MET . 15149 1 52 . SER . 15149 1 53 . ALA . 15149 1 54 . LYS . 15149 1 55 . GLU . 15149 1 56 . LYS . 15149 1 57 . GLY . 15149 1 58 . LYS . 15149 1 59 . PHE . 15149 1 60 . GLU . 15149 1 61 . ASP . 15149 1 62 . MET . 15149 1 63 . ALA . 15149 1 64 . LYS . 15149 1 65 . ALA . 15149 1 66 . ASP . 15149 1 67 . LYS . 15149 1 68 . ALA . 15149 1 69 . ARG . 15149 1 70 . TYR . 15149 1 71 . GLU . 15149 1 72 . ARG . 15149 1 73 . GLU . 15149 1 74 . MET . 15149 1 75 . LYS . 15149 1 76 . THR . 15149 1 77 . TYR . 15149 1 78 . ILE . 15149 1 79 . PRO . 15149 1 80 . PRO . 15149 1 81 . LYS . 15149 1 82 . GLY . 15149 1 83 . GLU . 15149 1 84 . THR . 15149 1 85 . LYS . 15149 1 86 . LYS . 15149 1 87 . LYS . 15149 1 88 . PHE . 15149 1 89 . LYS . 15149 1 90 . ASP . 15149 1 91 . PRO . 15149 1 92 . ASN . 15149 1 93 . ALA . 15149 1 94 . PRO . 15149 1 95 . LYS . 15149 1 96 . ARG . 15149 1 97 . PRO . 15149 1 98 . PRO . 15149 1 99 . SER . 15149 1 100 . ALA . 15149 1 101 . PHE . 15149 1 102 . PHE . 15149 1 103 . LEU . 15149 1 104 . PHE . 15149 1 105 . CYS . 15149 1 106 . SER . 15149 1 107 . GLU . 15149 1 108 . TYR . 15149 1 109 . ARG . 15149 1 110 . PRO . 15149 1 111 . LYS . 15149 1 112 . ILE . 15149 1 113 . LYS . 15149 1 114 . GLY . 15149 1 115 . GLU . 15149 1 116 . HIS . 15149 1 117 . PRO . 15149 1 118 . GLY . 15149 1 119 . LEU . 15149 1 120 . SER . 15149 1 121 . ILE . 15149 1 122 . GLY . 15149 1 123 . ASP . 15149 1 124 . VAL . 15149 1 125 . ALA . 15149 1 126 . LYS . 15149 1 127 . LYS . 15149 1 128 . LEU . 15149 1 129 . GLY . 15149 1 130 . GLU . 15149 1 131 . MET . 15149 1 132 . TRP . 15149 1 133 . ASN . 15149 1 134 . ASN . 15149 1 135 . THR . 15149 1 136 . ALA . 15149 1 137 . ALA . 15149 1 138 . ASP . 15149 1 139 . ASP . 15149 1 140 . LYS . 15149 1 141 . GLN . 15149 1 142 . PRO . 15149 1 143 . TYR . 15149 1 144 . GLU . 15149 1 145 . LYS . 15149 1 146 . LYS . 15149 1 147 . ALA . 15149 1 148 . ALA . 15149 1 149 . LYS . 15149 1 150 . LEU . 15149 1 151 . LYS . 15149 1 152 . GLU . 15149 1 153 . LYS . 15149 1 154 . TYR . 15149 1 155 . GLU . 15149 1 156 . LYS . 15149 1 157 . ASP . 15149 1 158 . ILE . 15149 1 159 . ALA . 15149 1 160 . ALA . 15149 1 161 . TYR . 15149 1 162 . ARG . 15149 1 163 . ALA . 15149 1 164 . LYS . 15149 1 165 . GLY . 15149 1 166 . LYS . 15149 1 167 . PRO . 15149 1 168 . ASP . 15149 1 169 . ALA . 15149 1 170 . ALA . 15149 1 171 . LYS . 15149 1 172 . LYS . 15149 1 173 . GLY . 15149 1 174 . VAL . 15149 1 175 . VAL . 15149 1 176 . LYS . 15149 1 177 . ALA . 15149 1 178 . GLU . 15149 1 179 . LYS . 15149 1 180 . SER . 15149 1 181 . LYS . 15149 1 182 . LYS . 15149 1 183 . LYS . 15149 1 184 . LYS . 15149 1 185 . GLU . 15149 1 186 . GLU . 15149 1 187 . GLU . 15149 1 188 . ASP . 15149 1 189 . ASP . 15149 1 190 . GLU . 15149 1 191 . GLU . 15149 1 192 . ASP . 15149 1 193 . GLU . 15149 1 194 . GLU . 15149 1 195 . ASP . 15149 1 196 . GLU . 15149 1 197 . GLU . 15149 1 198 . GLU . 15149 1 199 . GLU . 15149 1 200 . GLU . 15149 1 201 . GLU . 15149 1 202 . GLU . 15149 1 203 . GLU . 15149 1 204 . ASP . 15149 1 205 . GLU . 15149 1 206 . ASP . 15149 1 207 . GLU . 15149 1 208 . GLU . 15149 1 209 . GLU . 15149 1 210 . ASP . 15149 1 211 . ASP . 15149 1 212 . ASP . 15149 1 213 . ASP . 15149 1 214 . GLU . 15149 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 15149 1 . LYS 2 2 15149 1 . GLY 3 3 15149 1 . ASP 4 4 15149 1 . PRO 5 5 15149 1 . LYS 6 6 15149 1 . LYS 7 7 15149 1 . PRO 8 8 15149 1 . ARG 9 9 15149 1 . GLY 10 10 15149 1 . LYS 11 11 15149 1 . MET 12 12 15149 1 . SER 13 13 15149 1 . SER 14 14 15149 1 . TYR 15 15 15149 1 . ALA 16 16 15149 1 . PHE 17 17 15149 1 . PHE 18 18 15149 1 . VAL 19 19 15149 1 . GLN 20 20 15149 1 . THR 21 21 15149 1 . CYS 22 22 15149 1 . ARG 23 23 15149 1 . GLU 24 24 15149 1 . GLU 25 25 15149 1 . HIS 26 26 15149 1 . LYS 27 27 15149 1 . LYS 28 28 15149 1 . LYS 29 29 15149 1 . HIS 30 30 15149 1 . PRO 31 31 15149 1 . ASP 32 32 15149 1 . ALA 33 33 15149 1 . SER 34 34 15149 1 . VAL 35 35 15149 1 . ASN 36 36 15149 1 . PHE 37 37 15149 1 . SER 38 38 15149 1 . GLU 39 39 15149 1 . PHE 40 40 15149 1 . SER 41 41 15149 1 . LYS 42 42 15149 1 . LYS 43 43 15149 1 . CYS 44 44 15149 1 . SER 45 45 15149 1 . GLU 46 46 15149 1 . ARG 47 47 15149 1 . TRP 48 48 15149 1 . LYS 49 49 15149 1 . THR 50 50 15149 1 . MET 51 51 15149 1 . SER 52 52 15149 1 . ALA 53 53 15149 1 . LYS 54 54 15149 1 . GLU 55 55 15149 1 . LYS 56 56 15149 1 . GLY 57 57 15149 1 . LYS 58 58 15149 1 . PHE 59 59 15149 1 . GLU 60 60 15149 1 . ASP 61 61 15149 1 . MET 62 62 15149 1 . ALA 63 63 15149 1 . LYS 64 64 15149 1 . ALA 65 65 15149 1 . ASP 66 66 15149 1 . LYS 67 67 15149 1 . ALA 68 68 15149 1 . ARG 69 69 15149 1 . TYR 70 70 15149 1 . GLU 71 71 15149 1 . ARG 72 72 15149 1 . GLU 73 73 15149 1 . MET 74 74 15149 1 . LYS 75 75 15149 1 . THR 76 76 15149 1 . TYR 77 77 15149 1 . ILE 78 78 15149 1 . PRO 79 79 15149 1 . PRO 80 80 15149 1 . LYS 81 81 15149 1 . GLY 82 82 15149 1 . GLU 83 83 15149 1 . THR 84 84 15149 1 . LYS 85 85 15149 1 . LYS 86 86 15149 1 . LYS 87 87 15149 1 . PHE 88 88 15149 1 . LYS 89 89 15149 1 . ASP 90 90 15149 1 . PRO 91 91 15149 1 . ASN 92 92 15149 1 . ALA 93 93 15149 1 . PRO 94 94 15149 1 . LYS 95 95 15149 1 . ARG 96 96 15149 1 . PRO 97 97 15149 1 . PRO 98 98 15149 1 . SER 99 99 15149 1 . ALA 100 100 15149 1 . PHE 101 101 15149 1 . PHE 102 102 15149 1 . LEU 103 103 15149 1 . PHE 104 104 15149 1 . CYS 105 105 15149 1 . SER 106 106 15149 1 . GLU 107 107 15149 1 . TYR 108 108 15149 1 . ARG 109 109 15149 1 . PRO 110 110 15149 1 . LYS 111 111 15149 1 . ILE 112 112 15149 1 . LYS 113 113 15149 1 . GLY 114 114 15149 1 . GLU 115 115 15149 1 . HIS 116 116 15149 1 . PRO 117 117 15149 1 . GLY 118 118 15149 1 . LEU 119 119 15149 1 . SER 120 120 15149 1 . ILE 121 121 15149 1 . GLY 122 122 15149 1 . ASP 123 123 15149 1 . VAL 124 124 15149 1 . ALA 125 125 15149 1 . LYS 126 126 15149 1 . LYS 127 127 15149 1 . LEU 128 128 15149 1 . GLY 129 129 15149 1 . GLU 130 130 15149 1 . MET 131 131 15149 1 . TRP 132 132 15149 1 . ASN 133 133 15149 1 . ASN 134 134 15149 1 . THR 135 135 15149 1 . ALA 136 136 15149 1 . ALA 137 137 15149 1 . ASP 138 138 15149 1 . ASP 139 139 15149 1 . LYS 140 140 15149 1 . GLN 141 141 15149 1 . PRO 142 142 15149 1 . TYR 143 143 15149 1 . GLU 144 144 15149 1 . LYS 145 145 15149 1 . LYS 146 146 15149 1 . ALA 147 147 15149 1 . ALA 148 148 15149 1 . LYS 149 149 15149 1 . LEU 150 150 15149 1 . LYS 151 151 15149 1 . GLU 152 152 15149 1 . LYS 153 153 15149 1 . TYR 154 154 15149 1 . GLU 155 155 15149 1 . LYS 156 156 15149 1 . ASP 157 157 15149 1 . ILE 158 158 15149 1 . ALA 159 159 15149 1 . ALA 160 160 15149 1 . TYR 161 161 15149 1 . ARG 162 162 15149 1 . ALA 163 163 15149 1 . LYS 164 164 15149 1 . GLY 165 165 15149 1 . LYS 166 166 15149 1 . PRO 167 167 15149 1 . ASP 168 168 15149 1 . ALA 169 169 15149 1 . ALA 170 170 15149 1 . LYS 171 171 15149 1 . LYS 172 172 15149 1 . GLY 173 173 15149 1 . VAL 174 174 15149 1 . VAL 175 175 15149 1 . LYS 176 176 15149 1 . ALA 177 177 15149 1 . GLU 178 178 15149 1 . LYS 179 179 15149 1 . SER 180 180 15149 1 . LYS 181 181 15149 1 . LYS 182 182 15149 1 . LYS 183 183 15149 1 . LYS 184 184 15149 1 . GLU 185 185 15149 1 . GLU 186 186 15149 1 . GLU 187 187 15149 1 . ASP 188 188 15149 1 . ASP 189 189 15149 1 . GLU 190 190 15149 1 . GLU 191 191 15149 1 . ASP 192 192 15149 1 . GLU 193 193 15149 1 . GLU 194 194 15149 1 . ASP 195 195 15149 1 . GLU 196 196 15149 1 . GLU 197 197 15149 1 . GLU 198 198 15149 1 . GLU 199 199 15149 1 . GLU 200 200 15149 1 . GLU 201 201 15149 1 . GLU 202 202 15149 1 . GLU 203 203 15149 1 . ASP 204 204 15149 1 . GLU 205 205 15149 1 . ASP 206 206 15149 1 . GLU 207 207 15149 1 . GLU 208 208 15149 1 . GLU 209 209 15149 1 . ASP 210 210 15149 1 . ASP 211 211 15149 1 . ASP 212 212 15149 1 . ASP 213 213 15149 1 . GLU 214 214 15149 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 15149 _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 $HMGB1_Full_Length . 562 plasmid . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15149 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 15149 _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 $HMGB1_Full_Length . 'recombinant technology' 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . pET-24d . . . . . . 15149 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15149 _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 'HMGB1 Full Length' '[U-100% 13C; U-100% 15N]' . . 1 $HMGB1_Full_Length . . . 0.1 0.3 mM . . . . 15149 1 2 NaCl . . . . . . . 150 . . mM . . . . 15149 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15149 _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' 150 . mM 15149 1 pH 7 . pH 15149 1 pressure 1 . atm 15149 1 temperature 298 . K 15149 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15149 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15149 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15149 1 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 15149 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15149 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _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 15149 _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 AMX . 500 . . . 15149 1 2 spectrometer_1 Bruker AMX . 600 . . . 15149 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 15149 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15149 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15149 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15149 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15149 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15149 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15149 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 15149 _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 . . . . . . . . . 15149 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15149 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15149 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 15149 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15149 1 2 '3D HNCO' . . . 15149 1 3 '3D HNCA' . . . 15149 1 4 '3D HNCACB' . . . 15149 1 5 '3D HN(CO)CA' . . . 15149 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 LYS H H 1 8.280 0.100 . 1 . . . . 2 LYS H . 15149 1 2 . 1 1 2 2 LYS N N 15 119.940 0.100 . 1 . . . . 2 LYS N . 15149 1 3 . 1 1 3 3 GLY H H 1 8.690 0.100 . 1 . . . . 3 GLY H . 15149 1 4 . 1 1 3 3 GLY N N 15 110.900 0.100 . 1 . . . . 3 GLY N . 15149 1 5 . 1 1 6 6 LYS H H 1 8.420 0.100 . 1 . . . . 6 LYS H . 15149 1 6 . 1 1 6 6 LYS N N 15 120.320 0.100 . 1 . . . . 6 LYS N . 15149 1 7 . 1 1 7 7 LYS H H 1 7.840 0.100 . 1 . . . . 7 LYS H . 15149 1 8 . 1 1 7 7 LYS N N 15 123.390 0.100 . 1 . . . . 7 LYS N . 15149 1 9 . 1 1 9 9 ARG H H 1 8.930 0.100 . 1 . . . . 9 ARG H . 15149 1 10 . 1 1 9 9 ARG N N 15 124.220 0.100 . 1 . . . . 9 ARG N . 15149 1 11 . 1 1 10 10 GLY H H 1 8.680 0.100 . 1 . . . . 10 GLY H . 15149 1 12 . 1 1 10 10 GLY N N 15 110.830 0.100 . 1 . . . . 10 GLY N . 15149 1 13 . 1 1 11 11 LYS H H 1 7.680 0.100 . 1 . . . . 11 LYS H . 15149 1 14 . 1 1 11 11 LYS N N 15 119.950 0.100 . 1 . . . . 11 LYS N . 15149 1 15 . 1 1 12 12 MET H H 1 9.000 0.100 . 1 . . . . 12 MET H . 15149 1 16 . 1 1 12 12 MET N N 15 124.450 0.100 . 1 . . . . 12 MET N . 15149 1 17 . 1 1 13 13 SER H H 1 8.280 0.100 . 1 . . . . 13 SER H . 15149 1 18 . 1 1 13 13 SER N N 15 119.200 0.100 . 1 . . . . 13 SER N . 15149 1 19 . 1 1 14 14 SER H H 1 9.320 0.100 . 1 . . . . 14 SER H . 15149 1 20 . 1 1 14 14 SER N N 15 116.100 0.100 . 1 . . . . 14 SER N . 15149 1 21 . 1 1 15 15 TYR H H 1 8.010 0.100 . 1 . . . . 15 TYR H . 15149 1 22 . 1 1 15 15 TYR N N 15 121.750 0.100 . 1 . . . . 15 TYR N . 15149 1 23 . 1 1 16 16 ALA H H 1 7.970 0.100 . 1 . . . . 16 ALA H . 15149 1 24 . 1 1 16 16 ALA N N 15 121.820 0.100 . 1 . . . . 16 ALA N . 15149 1 25 . 1 1 17 17 PHE H H 1 8.340 0.100 . 1 . . . . 17 PHE H . 15149 1 26 . 1 1 17 17 PHE N N 15 117.830 0.100 . 1 . . . . 17 PHE N . 15149 1 27 . 1 1 18 18 PHE H H 1 8.110 0.100 . 1 . . . . 18 PHE H . 15149 1 28 . 1 1 18 18 PHE N N 15 125.060 0.100 . 1 . . . . 18 PHE N . 15149 1 29 . 1 1 20 20 GLN H H 1 7.890 0.100 . 1 . . . . 20 GLN H . 15149 1 30 . 1 1 20 20 GLN N N 15 118.120 0.100 . 1 . . . . 20 GLN N . 15149 1 31 . 1 1 21 21 THR H H 1 8.170 0.100 . 1 . . . . 21 THR H . 15149 1 32 . 1 1 21 21 THR N N 15 116.330 0.100 . 1 . . . . 21 THR N . 15149 1 33 . 1 1 22 22 CYS H H 1 8.380 0.100 . 1 . . . . 22 CYS H . 15149 1 34 . 1 1 22 22 CYS N N 15 120.800 0.100 . 1 . . . . 22 CYS N . 15149 1 35 . 1 1 23 23 ARG H H 1 8.920 0.100 . 1 . . . . 23 ARG H . 15149 1 36 . 1 1 23 23 ARG N N 15 122.750 0.100 . 1 . . . . 23 ARG N . 15149 1 37 . 1 1 25 25 GLU H H 1 8.285 0.014 . 1 . . . . 25 GLU H . 15149 1 38 . 1 1 25 25 GLU N N 15 119.630 0.368 . 1 . . . . 25 GLU N . 15149 1 39 . 1 1 26 26 HIS H H 1 8.210 0.100 . 1 . . . . 26 HIS H . 15149 1 40 . 1 1 26 26 HIS N N 15 119.950 0.100 . 1 . . . . 26 HIS N . 15149 1 41 . 1 1 27 27 LYS H H 1 7.930 0.100 . 1 . . . . 27 LYS H . 15149 1 42 . 1 1 27 27 LYS N N 15 117.560 0.100 . 1 . . . . 27 LYS N . 15149 1 43 . 1 1 28 28 LYS H H 1 7.490 0.100 . 1 . . . . 28 LYS H . 15149 1 44 . 1 1 28 28 LYS N N 15 116.240 0.100 . 1 . . . . 28 LYS N . 15149 1 45 . 1 1 29 29 LYS H H 1 7.450 0.100 . 1 . . . . 29 LYS H . 15149 1 46 . 1 1 29 29 LYS N N 15 116.750 0.100 . 1 . . . . 29 LYS N . 15149 1 47 . 1 1 30 30 HIS H H 1 7.900 0.100 . 1 . . . . 30 HIS H . 15149 1 48 . 1 1 30 30 HIS N N 15 116.310 0.100 . 1 . . . . 30 HIS N . 15149 1 49 . 1 1 32 32 ASP H H 1 8.520 0.100 . 1 . . . . 32 ASP H . 15149 1 50 . 1 1 32 32 ASP N N 15 115.800 0.100 . 1 . . . . 32 ASP N . 15149 1 51 . 1 1 33 33 ALA H H 1 7.530 0.100 . 1 . . . . 33 ALA H . 15149 1 52 . 1 1 33 33 ALA N N 15 122.610 0.100 . 1 . . . . 33 ALA N . 15149 1 53 . 1 1 35 35 VAL H H 1 8.300 0.100 . 1 . . . . 35 VAL H . 15149 1 54 . 1 1 35 35 VAL N N 15 122.670 0.100 . 1 . . . . 35 VAL N . 15149 1 55 . 1 1 39 39 GLU H H 1 7.860 0.100 . 1 . . . . 39 GLU H . 15149 1 56 . 1 1 39 39 GLU N N 15 121.780 0.100 . 1 . . . . 39 GLU N . 15149 1 57 . 1 1 40 40 PHE H H 1 8.540 0.100 . 1 . . . . 40 PHE H . 15149 1 58 . 1 1 40 40 PHE N N 15 121.390 0.100 . 1 . . . . 40 PHE N . 15149 1 59 . 1 1 41 41 SER H H 1 8.500 0.100 . 1 . . . . 41 SER H . 15149 1 60 . 1 1 41 41 SER N N 15 114.760 0.100 . 1 . . . . 41 SER N . 15149 1 61 . 1 1 42 42 LYS H H 1 7.510 0.100 . 1 . . . . 42 LYS H . 15149 1 62 . 1 1 42 42 LYS N N 15 121.580 0.100 . 1 . . . . 42 LYS N . 15149 1 63 . 1 1 43 43 LYS H H 1 7.810 0.100 . 1 . . . . 43 LYS H . 15149 1 64 . 1 1 43 43 LYS N N 15 119.360 0.100 . 1 . . . . 43 LYS N . 15149 1 65 . 1 1 44 44 CYS H H 1 8.040 0.100 . 1 . . . . 44 CYS H . 15149 1 66 . 1 1 44 44 CYS N N 15 117.400 0.100 . 1 . . . . 44 CYS N . 15149 1 67 . 1 1 45 45 SER H H 1 8.350 0.100 . 1 . . . . 45 SER H . 15149 1 68 . 1 1 45 45 SER N N 15 116.990 0.100 . 1 . . . . 45 SER N . 15149 1 69 . 1 1 46 46 GLU H H 1 8.030 0.100 . 1 . . . . 46 GLU H . 15149 1 70 . 1 1 46 46 GLU N N 15 120.490 0.100 . 1 . . . . 46 GLU N . 15149 1 71 . 1 1 47 47 ARG H H 1 8.010 0.100 . 1 . . . . 47 ARG H . 15149 1 72 . 1 1 47 47 ARG N N 15 119.240 0.100 . 1 . . . . 47 ARG N . 15149 1 73 . 1 1 48 48 TRP H H 1 8.700 0.100 . 1 . . . . 48 TRP H . 15149 1 74 . 1 1 48 48 TRP N N 15 120.780 0.100 . 1 . . . . 48 TRP N . 15149 1 75 . 1 1 49 49 LYS H H 1 7.630 0.100 . 1 . . . . 49 LYS H . 15149 1 76 . 1 1 49 49 LYS N N 15 114.400 0.100 . 1 . . . . 49 LYS N . 15149 1 77 . 1 1 50 50 THR H H 1 7.420 0.100 . 1 . . . . 50 THR H . 15149 1 78 . 1 1 50 50 THR N N 15 106.290 0.100 . 1 . . . . 50 THR N . 15149 1 79 . 1 1 51 51 MET H H 1 7.130 0.100 . 1 . . . . 51 MET H . 15149 1 80 . 1 1 51 51 MET N N 15 123.550 0.100 . 1 . . . . 51 MET N . 15149 1 81 . 1 1 52 52 SER H H 1 9.010 0.100 . 1 . . . . 52 SER H . 15149 1 82 . 1 1 52 52 SER N N 15 119.630 0.100 . 1 . . . . 52 SER N . 15149 1 83 . 1 1 54 54 LYS H H 1 8.310 0.100 . 1 . . . . 54 LYS H . 15149 1 84 . 1 1 54 54 LYS N N 15 119.260 0.100 . 1 . . . . 54 LYS N . 15149 1 85 . 1 1 55 55 GLU H H 1 7.600 0.100 . 1 . . . . 55 GLU H . 15149 1 86 . 1 1 55 55 GLU N N 15 119.810 0.100 . 1 . . . . 55 GLU N . 15149 1 87 . 1 1 56 56 LYS H H 1 8.110 0.100 . 1 . . . . 56 LYS H . 15149 1 88 . 1 1 56 56 LYS N N 15 116.750 0.100 . 1 . . . . 56 LYS N . 15149 1 89 . 1 1 57 57 GLY H H 1 7.840 0.100 . 1 . . . . 57 GLY H . 15149 1 90 . 1 1 57 57 GLY N N 15 106.790 0.100 . 1 . . . . 57 GLY N . 15149 1 91 . 1 1 58 58 LYS H H 1 7.920 0.100 . 1 . . . . 58 LYS H . 15149 1 92 . 1 1 58 58 LYS N N 15 119.040 0.100 . 1 . . . . 58 LYS N . 15149 1 93 . 1 1 59 59 PHE H H 1 7.300 0.100 . 1 . . . . 59 PHE H . 15149 1 94 . 1 1 59 59 PHE N N 15 119.700 0.100 . 1 . . . . 59 PHE N . 15149 1 95 . 1 1 60 60 GLU H H 1 8.420 0.100 . 1 . . . . 60 GLU H . 15149 1 96 . 1 1 60 60 GLU N N 15 122.020 0.100 . 1 . . . . 60 GLU N . 15149 1 97 . 1 1 61 61 ASP H H 1 8.630 0.100 . 1 . . . . 61 ASP H . 15149 1 98 . 1 1 61 61 ASP N N 15 120.840 0.100 . 1 . . . . 61 ASP N . 15149 1 99 . 1 1 62 62 MET H H 1 7.370 0.100 . 1 . . . . 62 MET H . 15149 1 100 . 1 1 62 62 MET N N 15 120.580 0.100 . 1 . . . . 62 MET N . 15149 1 101 . 1 1 63 63 ALA H H 1 8.030 0.100 . 1 . . . . 63 ALA H . 15149 1 102 . 1 1 63 63 ALA N N 15 123.170 0.100 . 1 . . . . 63 ALA N . 15149 1 103 . 1 1 64 64 LYS H H 1 8.620 0.100 . 1 . . . . 64 LYS H . 15149 1 104 . 1 1 64 64 LYS N N 15 122.000 0.100 . 1 . . . . 64 LYS N . 15149 1 105 . 1 1 65 65 ALA H H 1 7.920 0.100 . 1 . . . . 65 ALA H . 15149 1 106 . 1 1 65 65 ALA N N 15 122.500 0.100 . 1 . . . . 65 ALA N . 15149 1 107 . 1 1 66 66 ASP H H 1 8.440 0.100 . 1 . . . . 66 ASP H . 15149 1 108 . 1 1 66 66 ASP N N 15 123.080 0.100 . 1 . . . . 66 ASP N . 15149 1 109 . 1 1 67 67 LYS H H 1 8.270 0.100 . 1 . . . . 67 LYS H . 15149 1 110 . 1 1 67 67 LYS N N 15 120.360 0.100 . 1 . . . . 67 LYS N . 15149 1 111 . 1 1 68 68 ALA H H 1 7.460 0.100 . 1 . . . . 68 ALA H . 15149 1 112 . 1 1 68 68 ALA N N 15 120.510 0.100 . 1 . . . . 68 ALA N . 15149 1 113 . 1 1 69 69 ARG H H 1 7.950 0.100 . 1 . . . . 69 ARG H . 15149 1 114 . 1 1 69 69 ARG N N 15 120.970 0.100 . 1 . . . . 69 ARG N . 15149 1 115 . 1 1 70 70 TYR H H 1 8.620 0.100 . 1 . . . . 70 TYR H . 15149 1 116 . 1 1 70 70 TYR N N 15 121.780 0.100 . 1 . . . . 70 TYR N . 15149 1 117 . 1 1 71 71 GLU H H 1 8.470 0.100 . 1 . . . . 71 GLU H . 15149 1 118 . 1 1 71 71 GLU N N 15 116.720 0.100 . 1 . . . . 71 GLU N . 15149 1 119 . 1 1 72 72 ARG H H 1 8.090 0.100 . 1 . . . . 72 ARG H . 15149 1 120 . 1 1 72 72 ARG N N 15 119.670 0.100 . 1 . . . . 72 ARG N . 15149 1 121 . 1 1 73 73 GLU H H 1 8.630 0.100 . 1 . . . . 73 GLU H . 15149 1 122 . 1 1 73 73 GLU N N 15 119.860 0.100 . 1 . . . . 73 GLU N . 15149 1 123 . 1 1 74 74 MET H H 1 8.520 0.100 . 1 . . . . 74 MET H . 15149 1 124 . 1 1 74 74 MET N N 15 117.230 0.100 . 1 . . . . 74 MET N . 15149 1 125 . 1 1 75 75 LYS H H 1 7.500 0.100 . 1 . . . . 75 LYS H . 15149 1 126 . 1 1 75 75 LYS N N 15 118.450 0.100 . 1 . . . . 75 LYS N . 15149 1 127 . 1 1 76 76 THR H H 1 7.260 0.100 . 1 . . . . 76 THR H . 15149 1 128 . 1 1 76 76 THR N N 15 105.690 0.100 . 1 . . . . 76 THR N . 15149 1 129 . 1 1 77 77 TYR H H 1 7.410 0.100 . 1 . . . . 77 TYR H . 15149 1 130 . 1 1 77 77 TYR N N 15 123.580 0.100 . 1 . . . . 77 TYR N . 15149 1 131 . 1 1 78 78 ILE H H 1 7.830 0.100 . 1 . . . . 78 ILE H . 15149 1 132 . 1 1 78 78 ILE N N 15 129.880 0.100 . 1 . . . . 78 ILE N . 15149 1 133 . 1 1 82 82 GLY H H 1 8.480 0.100 . 1 . . . . 82 GLY H . 15149 1 134 . 1 1 82 82 GLY N N 15 109.810 0.100 . 1 . . . . 82 GLY N . 15149 1 135 . 1 1 83 83 GLU H H 1 8.270 0.100 . 1 . . . . 83 GLU H . 15149 1 136 . 1 1 83 83 GLU N N 15 120.310 0.100 . 1 . . . . 83 GLU N . 15149 1 137 . 1 1 84 84 THR H H 1 8.310 0.100 . 1 . . . . 84 THR H . 15149 1 138 . 1 1 84 84 THR N N 15 115.880 0.100 . 1 . . . . 84 THR N . 15149 1 139 . 1 1 85 85 LYS H H 1 8.470 0.100 . 1 . . . . 85 LYS H . 15149 1 140 . 1 1 85 85 LYS N N 15 124.030 0.100 . 1 . . . . 85 LYS N . 15149 1 141 . 1 1 86 86 LYS H H 1 8.380 0.100 . 1 . . . . 86 LYS H . 15149 1 142 . 1 1 86 86 LYS N N 15 122.650 0.100 . 1 . . . . 86 LYS N . 15149 1 143 . 1 1 87 87 LYS H H 1 8.340 0.100 . 1 . . . . 87 LYS H . 15149 1 144 . 1 1 87 87 LYS N N 15 122.520 0.100 . 1 . . . . 87 LYS N . 15149 1 145 . 1 1 88 88 PHE H H 1 8.400 0.100 . 1 . . . . 88 PHE H . 15149 1 146 . 1 1 88 88 PHE N N 15 121.320 0.100 . 1 . . . . 88 PHE N . 15149 1 147 . 1 1 89 89 LYS H H 1 8.220 0.100 . 1 . . . . 89 LYS H . 15149 1 148 . 1 1 89 89 LYS N N 15 124.660 0.100 . 1 . . . . 89 LYS N . 15149 1 149 . 1 1 92 92 ASN H H 1 8.350 0.100 . 1 . . . . 92 ASN H . 15149 1 150 . 1 1 92 92 ASN N N 15 115.090 0.100 . 1 . . . . 92 ASN N . 15149 1 151 . 1 1 93 93 ALA H H 1 7.150 0.100 . 1 . . . . 93 ALA H . 15149 1 152 . 1 1 93 93 ALA N N 15 123.220 0.100 . 1 . . . . 93 ALA N . 15149 1 153 . 1 1 95 95 LYS H H 1 8.510 0.100 . 1 . . . . 95 LYS H . 15149 1 154 . 1 1 95 95 LYS N N 15 123.090 0.100 . 1 . . . . 95 LYS N . 15149 1 155 . 1 1 96 96 ARG H H 1 8.510 0.100 . 1 . . . . 96 ARG H . 15149 1 156 . 1 1 96 96 ARG N N 15 123.150 0.100 . 1 . . . . 96 ARG N . 15149 1 157 . 1 1 99 99 SER H H 1 8.000 0.100 . 1 . . . . 99 SER H . 15149 1 158 . 1 1 99 99 SER N N 15 114.650 0.100 . 1 . . . . 99 SER N . 15149 1 159 . 1 1 100 100 ALA H H 1 9.030 0.100 . 1 . . . . 100 ALA H . 15149 1 160 . 1 1 100 100 ALA N N 15 122.270 0.100 . 1 . . . . 100 ALA N . 15149 1 161 . 1 1 101 101 PHE H H 1 8.400 0.100 . 1 . . . . 101 PHE H . 15149 1 162 . 1 1 101 101 PHE N N 15 115.660 0.100 . 1 . . . . 101 PHE N . 15149 1 163 . 1 1 102 102 PHE H H 1 8.220 0.100 . 1 . . . . 102 PHE H . 15149 1 164 . 1 1 102 102 PHE N N 15 122.660 0.100 . 1 . . . . 102 PHE N . 15149 1 165 . 1 1 103 103 LEU H H 1 8.260 0.100 . 1 . . . . 103 LEU H . 15149 1 166 . 1 1 103 103 LEU N N 15 120.760 0.100 . 1 . . . . 103 LEU N . 15149 1 167 . 1 1 104 104 PHE H H 1 8.120 0.100 . 1 . . . . 104 PHE H . 15149 1 168 . 1 1 104 104 PHE N N 15 123.680 0.100 . 1 . . . . 104 PHE N . 15149 1 169 . 1 1 105 105 CYS H H 1 8.500 0.100 . 1 . . . . 105 CYS H . 15149 1 170 . 1 1 105 105 CYS N N 15 118.100 0.100 . 1 . . . . 105 CYS N . 15149 1 171 . 1 1 106 106 SER H H 1 8.150 0.100 . 1 . . . . 106 SER H . 15149 1 172 . 1 1 106 106 SER N N 15 114.720 0.100 . 1 . . . . 106 SER N . 15149 1 173 . 1 1 107 107 GLU H H 1 7.110 0.100 . 1 . . . . 107 GLU H . 15149 1 174 . 1 1 107 107 GLU N N 15 118.630 0.100 . 1 . . . . 107 GLU N . 15149 1 175 . 1 1 108 108 TYR H H 1 7.920 0.100 . 1 . . . . 108 TYR H . 15149 1 176 . 1 1 108 108 TYR N N 15 114.170 0.100 . 1 . . . . 108 TYR N . 15149 1 177 . 1 1 109 109 ARG H H 1 9.290 0.100 . 1 . . . . 109 ARG H . 15149 1 178 . 1 1 109 109 ARG N N 15 123.390 0.100 . 1 . . . . 109 ARG N . 15149 1 179 . 1 1 111 111 LYS H H 1 6.770 0.100 . 1 . . . . 111 LYS H . 15149 1 180 . 1 1 111 111 LYS N N 15 117.190 0.100 . 1 . . . . 111 LYS N . 15149 1 181 . 1 1 112 112 ILE H H 1 8.200 0.100 . 1 . . . . 112 ILE H . 15149 1 182 . 1 1 112 112 ILE N N 15 119.680 0.100 . 1 . . . . 112 ILE N . 15149 1 183 . 1 1 113 113 LYS H H 1 8.260 0.100 . 1 . . . . 113 LYS H . 15149 1 184 . 1 1 113 113 LYS N N 15 118.230 0.100 . 1 . . . . 113 LYS N . 15149 1 185 . 1 1 114 114 GLY H H 1 7.610 0.100 . 1 . . . . 114 GLY H . 15149 1 186 . 1 1 114 114 GLY N N 15 103.260 0.100 . 1 . . . . 114 GLY N . 15149 1 187 . 1 1 115 115 GLU H H 1 7.480 0.100 . 1 . . . . 115 GLU H . 15149 1 188 . 1 1 115 115 GLU N N 15 119.020 0.100 . 1 . . . . 115 GLU N . 15149 1 189 . 1 1 116 116 HIS H H 1 8.010 0.100 . 1 . . . . 116 HIS H . 15149 1 190 . 1 1 116 116 HIS N N 15 116.080 0.100 . 1 . . . . 116 HIS N . 15149 1 191 . 1 1 119 119 LEU H H 1 7.380 0.100 . 1 . . . . 119 LEU H . 15149 1 192 . 1 1 119 119 LEU N N 15 120.880 0.100 . 1 . . . . 119 LEU N . 15149 1 193 . 1 1 120 120 SER H H 1 9.270 0.100 . 1 . . . . 120 SER H . 15149 1 194 . 1 1 120 120 SER N N 15 120.610 0.100 . 1 . . . . 120 SER N . 15149 1 195 . 1 1 121 121 ILE H H 1 8.750 0.100 . 1 . . . . 121 ILE H . 15149 1 196 . 1 1 121 121 ILE N N 15 120.390 0.100 . 1 . . . . 121 ILE N . 15149 1 197 . 1 1 122 122 GLY H H 1 8.710 0.100 . 1 . . . . 122 GLY H . 15149 1 198 . 1 1 122 122 GLY N N 15 109.040 0.100 . 1 . . . . 122 GLY N . 15149 1 199 . 1 1 123 123 ASP H H 1 7.940 0.100 . 1 . . . . 123 ASP H . 15149 1 200 . 1 1 123 123 ASP N N 15 123.790 0.100 . 1 . . . . 123 ASP N . 15149 1 201 . 1 1 124 124 VAL H H 1 8.600 0.100 . 1 . . . . 124 VAL H . 15149 1 202 . 1 1 124 124 VAL N N 15 123.610 0.100 . 1 . . . . 124 VAL N . 15149 1 203 . 1 1 125 125 ALA H H 1 7.940 0.100 . 1 . . . . 125 ALA H . 15149 1 204 . 1 1 125 125 ALA N N 15 121.090 0.100 . 1 . . . . 125 ALA N . 15149 1 205 . 1 1 127 127 LYS H H 1 7.960 0.100 . 1 . . . . 127 LYS H . 15149 1 206 . 1 1 127 127 LYS N N 15 120.500 0.100 . 1 . . . . 127 LYS N . 15149 1 207 . 1 1 128 128 LEU H H 1 8.510 0.100 . 1 . . . . 128 LEU H . 15149 1 208 . 1 1 128 128 LEU N N 15 119.620 0.100 . 1 . . . . 128 LEU N . 15149 1 209 . 1 1 129 129 GLY H H 1 8.250 0.100 . 1 . . . . 129 GLY H . 15149 1 210 . 1 1 129 129 GLY N N 15 105.890 0.100 . 1 . . . . 129 GLY N . 15149 1 211 . 1 1 130 130 GLU H H 1 8.050 0.100 . 1 . . . . 130 GLU H . 15149 1 212 . 1 1 130 130 GLU N N 15 122.860 0.100 . 1 . . . . 130 GLU N . 15149 1 213 . 1 1 131 131 MET H H 1 8.740 0.100 . 1 . . . . 131 MET H . 15149 1 214 . 1 1 131 131 MET N N 15 118.540 0.100 . 1 . . . . 131 MET N . 15149 1 215 . 1 1 132 132 TRP H H 1 8.720 0.100 . 1 . . . . 132 TRP H . 15149 1 216 . 1 1 132 132 TRP N N 15 122.310 0.100 . 1 . . . . 132 TRP N . 15149 1 217 . 1 1 133 133 ASN H H 1 8.160 0.100 . 1 . . . . 133 ASN H . 15149 1 218 . 1 1 133 133 ASN N N 15 116.860 0.100 . 1 . . . . 133 ASN N . 15149 1 219 . 1 1 134 134 ASN H H 1 7.560 0.100 . 1 . . . . 134 ASN H . 15149 1 220 . 1 1 134 134 ASN N N 15 115.430 0.100 . 1 . . . . 134 ASN N . 15149 1 221 . 1 1 135 135 THR H H 1 7.290 0.100 . 1 . . . . 135 THR H . 15149 1 222 . 1 1 135 135 THR N N 15 119.530 0.100 . 1 . . . . 135 THR N . 15149 1 223 . 1 1 136 136 ALA H H 1 9.200 0.100 . 1 . . . . 136 ALA H . 15149 1 224 . 1 1 136 136 ALA N N 15 129.811 0.100 . 1 . . . . 136 ALA N . 15149 1 225 . 1 1 137 137 ALA H H 1 8.830 0.100 . 1 . . . . 137 ALA H . 15149 1 226 . 1 1 137 137 ALA N N 15 124.460 0.100 . 1 . . . . 137 ALA N . 15149 1 227 . 1 1 138 138 ASP H H 1 8.950 0.100 . 1 . . . . 138 ASP H . 15149 1 228 . 1 1 138 138 ASP N N 15 115.220 0.100 . 1 . . . . 138 ASP N . 15149 1 229 . 1 1 139 139 ASP H H 1 7.320 0.100 . 1 . . . . 139 ASP H . 15149 1 230 . 1 1 139 139 ASP N N 15 117.460 0.100 . 1 . . . . 139 ASP N . 15149 1 231 . 1 1 140 140 LYS H H 1 7.790 0.100 . 1 . . . . 140 LYS H . 15149 1 232 . 1 1 140 140 LYS N N 15 118.640 0.100 . 1 . . . . 140 LYS N . 15149 1 233 . 1 1 141 141 GLN H H 1 7.400 0.100 . 1 . . . . 141 GLN H . 15149 1 234 . 1 1 141 141 GLN N N 15 117.800 0.100 . 1 . . . . 141 GLN N . 15149 1 235 . 1 1 143 143 TYR H H 1 7.190 0.100 . 1 . . . . 143 TYR H . 15149 1 236 . 1 1 143 143 TYR N N 15 115.320 0.100 . 1 . . . . 143 TYR N . 15149 1 237 . 1 1 144 144 GLU H H 1 8.140 0.100 . 1 . . . . 144 GLU H . 15149 1 238 . 1 1 144 144 GLU N N 15 119.230 0.100 . 1 . . . . 144 GLU N . 15149 1 239 . 1 1 145 145 LYS H H 1 9.160 0.100 . 1 . . . . 145 LYS H . 15149 1 240 . 1 1 145 145 LYS N N 15 120.790 0.100 . 1 . . . . 145 LYS N . 15149 1 241 . 1 1 146 146 LYS H H 1 7.680 0.100 . 1 . . . . 146 LYS H . 15149 1 242 . 1 1 146 146 LYS N N 15 120.070 0.100 . 1 . . . . 146 LYS N . 15149 1 243 . 1 1 148 148 ALA H H 1 8.340 0.100 . 1 . . . . 148 ALA H . 15149 1 244 . 1 1 148 148 ALA N N 15 121.420 0.100 . 1 . . . . 148 ALA N . 15149 1 245 . 1 1 149 149 LYS H H 1 7.960 0.100 . 1 . . . . 149 LYS H . 15149 1 246 . 1 1 149 149 LYS N N 15 120.400 0.100 . 1 . . . . 149 LYS N . 15149 1 247 . 1 1 153 153 LYS H H 1 7.710 0.100 . 1 . . . . 153 LYS H . 15149 1 248 . 1 1 153 153 LYS N N 15 119.290 0.100 . 1 . . . . 153 LYS N . 15149 1 249 . 1 1 154 154 TYR H H 1 8.150 0.100 . 1 . . . . 154 TYR H . 15149 1 250 . 1 1 154 154 TYR N N 15 120.100 0.100 . 1 . . . . 154 TYR N . 15149 1 251 . 1 1 156 156 LYS H H 1 7.640 0.100 . 1 . . . . 156 LYS H . 15149 1 252 . 1 1 156 156 LYS N N 15 119.980 0.100 . 1 . . . . 156 LYS N . 15149 1 253 . 1 1 157 157 ASP H H 1 8.880 0.100 . 1 . . . . 157 ASP H . 15149 1 254 . 1 1 157 157 ASP N N 15 122.840 0.100 . 1 . . . . 157 ASP N . 15149 1 255 . 1 1 158 158 ILE H H 1 9.340 0.100 . 1 . . . . 158 ILE H . 15149 1 256 . 1 1 158 158 ILE N N 15 122.560 0.100 . 1 . . . . 158 ILE N . 15149 1 257 . 1 1 159 159 ALA H H 1 7.280 0.100 . 1 . . . . 159 ALA H . 15149 1 258 . 1 1 159 159 ALA N N 15 124.660 0.100 . 1 . . . . 159 ALA N . 15149 1 259 . 1 1 160 160 ALA H H 1 7.720 0.100 . 1 . . . . 160 ALA H . 15149 1 260 . 1 1 160 160 ALA N N 15 119.950 0.100 . 1 . . . . 160 ALA N . 15149 1 261 . 1 1 162 162 ARG H H 1 8.400 0.100 . 1 . . . . 162 ARG H . 15149 1 262 . 1 1 162 162 ARG N N 15 118.410 0.100 . 1 . . . . 162 ARG N . 15149 1 263 . 1 1 163 163 ALA H H 1 7.590 0.100 . 1 . . . . 163 ALA H . 15149 1 264 . 1 1 163 163 ALA N N 15 120.650 0.100 . 1 . . . . 163 ALA N . 15149 1 265 . 1 1 164 164 LYS H H 1 7.590 0.100 . 1 . . . . 164 LYS H . 15149 1 266 . 1 1 164 164 LYS N N 15 117.610 0.100 . 1 . . . . 164 LYS N . 15149 1 267 . 1 1 165 165 GLY H H 1 7.980 0.100 . 1 . . . . 165 GLY H . 15149 1 268 . 1 1 165 165 GLY N N 15 107.960 0.100 . 1 . . . . 165 GLY N . 15149 1 269 . 1 1 166 166 LYS H H 1 8.060 0.100 . 1 . . . . 166 LYS H . 15149 1 270 . 1 1 166 166 LYS N N 15 121.320 0.100 . 1 . . . . 166 LYS N . 15149 1 271 . 1 1 168 168 ASP H H 1 8.430 0.100 . 1 . . . . 168 ASP H . 15149 1 272 . 1 1 168 168 ASP N N 15 119.880 0.100 . 1 . . . . 168 ASP N . 15149 1 273 . 1 1 169 169 ALA H H 1 8.210 0.100 . 1 . . . . 169 ALA H . 15149 1 274 . 1 1 169 169 ALA N N 15 124.150 0.100 . 1 . . . . 169 ALA N . 15149 1 275 . 1 1 170 170 ALA H H 1 8.230 0.000 . 1 . . . . 170 ALA H . 15149 1 276 . 1 1 170 170 ALA N N 15 121.875 0.382 . 1 . . . . 170 ALA N . 15149 1 277 . 1 1 172 172 LYS H H 1 8.480 0.100 . 1 . . . . 172 LYS H . 15149 1 278 . 1 1 172 172 LYS N N 15 123.560 0.100 . 1 . . . . 172 LYS N . 15149 1 279 . 1 1 173 173 GLY H H 1 8.500 0.100 . 1 . . . . 173 GLY H . 15149 1 280 . 1 1 173 173 GLY N N 15 110.010 0.100 . 1 . . . . 173 GLY N . 15149 1 281 . 1 1 174 174 VAL H H 1 7.970 0.100 . 1 . . . . 174 VAL H . 15149 1 282 . 1 1 174 174 VAL N N 15 119.510 0.100 . 1 . . . . 174 VAL N . 15149 1 283 . 1 1 175 175 VAL H H 1 8.290 0.100 . 1 . . . . 175 VAL H . 15149 1 284 . 1 1 175 175 VAL N N 15 124.580 0.100 . 1 . . . . 175 VAL N . 15149 1 285 . 1 1 176 176 LYS H H 1 8.470 0.100 . 1 . . . . 176 LYS H . 15149 1 286 . 1 1 176 176 LYS N N 15 125.920 0.100 . 1 . . . . 176 LYS N . 15149 1 287 . 1 1 177 177 ALA H H 1 8.400 0.100 . 1 . . . . 177 ALA H . 15149 1 288 . 1 1 177 177 ALA N N 15 125.550 0.100 . 1 . . . . 177 ALA N . 15149 1 289 . 1 1 179 179 LYS H H 1 8.555 0.014 . 1 . . . . 179 LYS H . 15149 1 290 . 1 1 179 179 LYS N N 15 122.845 0.410 . 1 . . . . 179 LYS N . 15149 1 291 . 1 1 180 180 SER H H 1 8.380 0.100 . 1 . . . . 180 SER H . 15149 1 292 . 1 1 180 180 SER N N 15 116.810 0.100 . 1 . . . . 180 SER N . 15149 1 293 . 1 1 181 181 LYS H H 1 8.380 0.100 . 1 . . . . 181 LYS H . 15149 1 294 . 1 1 181 181 LYS N N 15 123.240 0.100 . 1 . . . . 181 LYS N . 15149 1 295 . 1 1 183 183 LYS H H 1 8.440 0.100 . 1 . . . . 183 LYS H . 15149 1 296 . 1 1 183 183 LYS N N 15 123.160 0.100 . 1 . . . . 183 LYS N . 15149 1 297 . 1 1 184 184 LYS H H 1 8.300 0.100 . 1 . . . . 184 LYS H . 15149 1 298 . 1 1 184 184 LYS N N 15 122.550 0.100 . 1 . . . . 184 LYS N . 15149 1 299 . 1 1 185 185 GLU H H 1 8.280 0.100 . 1 . . . . 185 GLU H . 15149 1 300 . 1 1 185 185 GLU N N 15 121.900 0.100 . 1 . . . . 185 GLU N . 15149 1 301 . 1 1 186 186 GLU H H 1 8.280 0.100 . 1 . . . . 186 GLU H . 15149 1 302 . 1 1 186 186 GLU N N 15 121.830 0.100 . 1 . . . . 186 GLU N . 15149 1 303 . 1 1 214 214 GLU H H 1 7.920 0.100 . 1 . . . . 214 GLU H . 15149 1 304 . 1 1 214 214 GLU N N 15 125.450 0.100 . 1 . . . . 214 GLU N . 15149 1 stop_ save_