data_15148 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15148 _Entry.Title ; HMGB1 AB boxes + basic tail 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 . . . 15148 2 Francesco Musco . . . 15148 3 Andrea Spitaleri . . . 15148 4 Corrado Dallacosta . . . 15148 5 Moreno Zamai . . . 15148 6 Alessandra Agresti . . . 15148 7 Lisa Trisciuoglio . . . 15148 8 Marco Bianchi . E. . 15148 9 Giovanna Musco . . . 15148 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15148 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 336 15148 '15N chemical shifts' 174 15148 '1H chemical shifts' 174 15148 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 . 15148 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15149 'HMGB1 Full Length' 15148 stop_ save_ ############### # Citations # ############### save_Citation _Citation.Sf_category citations _Citation.Sf_framecode Citation _Citation.Entry_ID 15148 _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 . . . 15148 1 2 Francesco 'De Marchis' . . . 15148 1 3 Andrea Spitaleri . . . 15148 1 4 Corrado Dallacosta . . . 15148 1 5 D. Pennacchini . . . 15148 1 6 Moreno Zamai . . . 15148 1 7 Alessandra Agresti . . . 15148 1 8 Lisa Trisciuoglio . . . 15148 1 9 Giovanna Musco . . . 15148 1 10 Marco Bianchi . E. . 15148 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15148 _Assembly.ID 1 _Assembly.Name 'HMGB1 AB boxes + basic tail' _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 21416.7 _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 ABbtail' 1 $HMGB1_ABbtail A . yes native no no . . . 15148 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HMGB1_ABbtail _Entity.Sf_category entity _Entity.Sf_framecode HMGB1_ABbtail _Entity.Entry_ID 15148 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HMGB1_ABbtail _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 KKKKEEE ; _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 187 _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" . . . . . 88.24 173 100.00 100.00 3.51e-114 . . . . 15148 1 2 no BMRB 15149 . HMGB1_Full_Length . . . . . 100.00 214 100.00 100.00 1.63e-128 . . . . 15148 1 3 no BMRB 15502 . HMGB1 . . . . . 100.00 214 100.00 100.00 1.63e-128 . . . . 15148 1 4 no PDB 2YRQ . "Solution Structure Of The Tandem Hmg Box Domain From Human High Mobility Group Protein B1" . . . . . 88.24 173 100.00 100.00 3.51e-114 . . . . 15148 1 5 no DBJ BAA09924 . "HMG-1 [Homo sapiens]" . . . . . 100.00 215 98.93 98.93 2.72e-126 . . . . 15148 1 6 no DBJ BAC29902 . "unnamed protein product [Mus musculus]" . . . . . 100.00 215 100.00 100.00 2.08e-128 . . . . 15148 1 7 no DBJ BAC34367 . "unnamed protein product [Mus musculus]" . . . . . 94.65 178 100.00 100.00 3.09e-122 . . . . 15148 1 8 no DBJ BAC34773 . "unnamed protein product [Mus musculus]" . . . . . 100.00 215 99.47 99.47 3.81e-127 . . . . 15148 1 9 no DBJ BAC38678 . "unnamed protein product [Mus musculus]" . . . . . 96.26 181 100.00 100.00 5.04e-124 . . . . 15148 1 10 no EMBL CAA31110 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 215 100.00 100.00 2.08e-128 . . . . 15148 1 11 no EMBL CAA31284 . "unnamed protein product [Bos taurus]" . . . . . 100.00 215 100.00 100.00 2.10e-128 . . . . 15148 1 12 no EMBL CAA56631 . "high mobility group protein [Mus musculus]" . . . . . 100.00 215 100.00 100.00 2.10e-128 . . . . 15148 1 13 no EMBL CAA68441 . "high mobility group protein [Cricetulus griseus]" . . . . . 81.82 180 100.00 100.00 1.61e-101 . . . . 15148 1 14 no EMBL CAA68526 . "unnamed protein product [Rattus norvegicus]" . . . . . 100.00 215 100.00 100.00 2.08e-128 . . . . 15148 1 15 no GB AAA20508 . "HMG-1 [Mus musculus]" . . . . . 100.00 215 100.00 100.00 2.08e-128 . . . . 15148 1 16 no GB AAA31050 . "non-histone protein HMG1 [Sus scrofa]" . . . . . 100.00 215 99.47 99.47 1.72e-127 . . . . 15148 1 17 no GB AAA40729 . "Amphoterin [Rattus norvegicus]" . . . . . 100.00 215 100.00 100.00 2.08e-128 . . . . 15148 1 18 no GB AAA57042 . "high mobility group 1 protein [Mus musculus]" . . . . . 100.00 215 99.47 99.47 2.60e-127 . . . . 15148 1 19 no GB AAA64970 . "HMG-1 [Homo sapiens]" . . . . . 100.00 216 98.93 98.93 2.95e-126 . . . . 15148 1 20 no PIR S29857 . "nonhistone chromosomal protein HMG-1 - human" . . . . . 100.00 216 98.93 98.93 2.95e-126 . . . . 15148 1 21 no REF NP_001002937 . "high mobility group protein B1 [Canis lupus familiaris]" . . . . . 100.00 215 100.00 100.00 2.08e-128 . . . . 15148 1 22 no REF NP_001004034 . "high mobility group protein B1 [Sus scrofa]" . . . . . 100.00 215 99.47 99.47 1.72e-127 . . . . 15148 1 23 no REF NP_001075304 . "high mobility group protein B1 [Equus caballus]" . . . . . 100.00 215 100.00 100.00 2.08e-128 . . . . 15148 1 24 no REF NP_001102843 . "high mobility group box 1 like [Rattus norvegicus]" . . . . . 100.00 214 99.47 99.47 2.86e-127 . . . . 15148 1 25 no REF NP_001162380 . "high mobility group protein B1 [Papio anubis]" . . . . . 100.00 215 100.00 100.00 2.08e-128 . . . . 15148 1 26 no SP A9RA84 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 100.00 215 100.00 100.00 2.08e-128 . . . . 15148 1 27 no SP B0CM99 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 100.00 215 100.00 100.00 2.08e-128 . . . . 15148 1 28 no SP B1MTB0 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 100.00 215 100.00 100.00 2.08e-128 . . . . 15148 1 29 no SP P07156 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 81.82 180 100.00 100.00 1.61e-101 . . . . 15148 1 30 no SP P09429 . "RecName: Full=High mobility group protein B1; AltName: Full=High mobility group protein 1; Short=HMG-1" . . . . . 100.00 215 100.00 100.00 2.08e-128 . . . . 15148 1 31 no TPG DAA21468 . "TPA: high-mobility group box 1-like [Bos taurus]" . . . . . 100.00 215 98.40 98.40 1.67e-126 . . . . 15148 1 32 no TPG DAA23902 . "TPA: high mobility group protein B1 [Bos taurus]" . . . . . 100.00 215 100.00 100.00 2.10e-128 . . . . 15148 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 . 15148 1 2 . LYS . 15148 1 3 . GLY . 15148 1 4 . ASP . 15148 1 5 . PRO . 15148 1 6 . LYS . 15148 1 7 . LYS . 15148 1 8 . PRO . 15148 1 9 . ARG . 15148 1 10 . GLY . 15148 1 11 . LYS . 15148 1 12 . MET . 15148 1 13 . SER . 15148 1 14 . SER . 15148 1 15 . TYR . 15148 1 16 . ALA . 15148 1 17 . PHE . 15148 1 18 . PHE . 15148 1 19 . VAL . 15148 1 20 . GLN . 15148 1 21 . THR . 15148 1 22 . CYS . 15148 1 23 . ARG . 15148 1 24 . GLU . 15148 1 25 . GLU . 15148 1 26 . HIS . 15148 1 27 . LYS . 15148 1 28 . LYS . 15148 1 29 . LYS . 15148 1 30 . HIS . 15148 1 31 . PRO . 15148 1 32 . ASP . 15148 1 33 . ALA . 15148 1 34 . SER . 15148 1 35 . VAL . 15148 1 36 . ASN . 15148 1 37 . PHE . 15148 1 38 . SER . 15148 1 39 . GLU . 15148 1 40 . PHE . 15148 1 41 . SER . 15148 1 42 . LYS . 15148 1 43 . LYS . 15148 1 44 . CYS . 15148 1 45 . SER . 15148 1 46 . GLU . 15148 1 47 . ARG . 15148 1 48 . TRP . 15148 1 49 . LYS . 15148 1 50 . THR . 15148 1 51 . MET . 15148 1 52 . SER . 15148 1 53 . ALA . 15148 1 54 . LYS . 15148 1 55 . GLU . 15148 1 56 . LYS . 15148 1 57 . GLY . 15148 1 58 . LYS . 15148 1 59 . PHE . 15148 1 60 . GLU . 15148 1 61 . ASP . 15148 1 62 . MET . 15148 1 63 . ALA . 15148 1 64 . LYS . 15148 1 65 . ALA . 15148 1 66 . ASP . 15148 1 67 . LYS . 15148 1 68 . ALA . 15148 1 69 . ARG . 15148 1 70 . TYR . 15148 1 71 . GLU . 15148 1 72 . ARG . 15148 1 73 . GLU . 15148 1 74 . MET . 15148 1 75 . LYS . 15148 1 76 . THR . 15148 1 77 . TYR . 15148 1 78 . ILE . 15148 1 79 . PRO . 15148 1 80 . PRO . 15148 1 81 . LYS . 15148 1 82 . GLY . 15148 1 83 . GLU . 15148 1 84 . THR . 15148 1 85 . LYS . 15148 1 86 . LYS . 15148 1 87 . LYS . 15148 1 88 . PHE . 15148 1 89 . LYS . 15148 1 90 . ASP . 15148 1 91 . PRO . 15148 1 92 . ASN . 15148 1 93 . ALA . 15148 1 94 . PRO . 15148 1 95 . LYS . 15148 1 96 . ARG . 15148 1 97 . PRO . 15148 1 98 . PRO . 15148 1 99 . SER . 15148 1 100 . ALA . 15148 1 101 . PHE . 15148 1 102 . PHE . 15148 1 103 . LEU . 15148 1 104 . PHE . 15148 1 105 . CYS . 15148 1 106 . SER . 15148 1 107 . GLU . 15148 1 108 . TYR . 15148 1 109 . ARG . 15148 1 110 . PRO . 15148 1 111 . LYS . 15148 1 112 . ILE . 15148 1 113 . LYS . 15148 1 114 . GLY . 15148 1 115 . GLU . 15148 1 116 . HIS . 15148 1 117 . PRO . 15148 1 118 . GLY . 15148 1 119 . LEU . 15148 1 120 . SER . 15148 1 121 . ILE . 15148 1 122 . GLY . 15148 1 123 . ASP . 15148 1 124 . VAL . 15148 1 125 . ALA . 15148 1 126 . LYS . 15148 1 127 . LYS . 15148 1 128 . LEU . 15148 1 129 . GLY . 15148 1 130 . GLU . 15148 1 131 . MET . 15148 1 132 . TRP . 15148 1 133 . ASN . 15148 1 134 . ASN . 15148 1 135 . THR . 15148 1 136 . ALA . 15148 1 137 . ALA . 15148 1 138 . ASP . 15148 1 139 . ASP . 15148 1 140 . LYS . 15148 1 141 . GLN . 15148 1 142 . PRO . 15148 1 143 . TYR . 15148 1 144 . GLU . 15148 1 145 . LYS . 15148 1 146 . LYS . 15148 1 147 . ALA . 15148 1 148 . ALA . 15148 1 149 . LYS . 15148 1 150 . LEU . 15148 1 151 . LYS . 15148 1 152 . GLU . 15148 1 153 . LYS . 15148 1 154 . TYR . 15148 1 155 . GLU . 15148 1 156 . LYS . 15148 1 157 . ASP . 15148 1 158 . ILE . 15148 1 159 . ALA . 15148 1 160 . ALA . 15148 1 161 . TYR . 15148 1 162 . ARG . 15148 1 163 . ALA . 15148 1 164 . LYS . 15148 1 165 . GLY . 15148 1 166 . LYS . 15148 1 167 . PRO . 15148 1 168 . ASP . 15148 1 169 . ALA . 15148 1 170 . ALA . 15148 1 171 . LYS . 15148 1 172 . LYS . 15148 1 173 . GLY . 15148 1 174 . VAL . 15148 1 175 . VAL . 15148 1 176 . LYS . 15148 1 177 . ALA . 15148 1 178 . GLU . 15148 1 179 . LYS . 15148 1 180 . SER . 15148 1 181 . LYS . 15148 1 182 . LYS . 15148 1 183 . LYS . 15148 1 184 . LYS . 15148 1 185 . GLU . 15148 1 186 . GLU . 15148 1 187 . GLU . 15148 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 15148 1 . LYS 2 2 15148 1 . GLY 3 3 15148 1 . ASP 4 4 15148 1 . PRO 5 5 15148 1 . LYS 6 6 15148 1 . LYS 7 7 15148 1 . PRO 8 8 15148 1 . ARG 9 9 15148 1 . GLY 10 10 15148 1 . LYS 11 11 15148 1 . MET 12 12 15148 1 . SER 13 13 15148 1 . SER 14 14 15148 1 . TYR 15 15 15148 1 . ALA 16 16 15148 1 . PHE 17 17 15148 1 . PHE 18 18 15148 1 . VAL 19 19 15148 1 . GLN 20 20 15148 1 . THR 21 21 15148 1 . CYS 22 22 15148 1 . ARG 23 23 15148 1 . GLU 24 24 15148 1 . GLU 25 25 15148 1 . HIS 26 26 15148 1 . LYS 27 27 15148 1 . LYS 28 28 15148 1 . LYS 29 29 15148 1 . HIS 30 30 15148 1 . PRO 31 31 15148 1 . ASP 32 32 15148 1 . ALA 33 33 15148 1 . SER 34 34 15148 1 . VAL 35 35 15148 1 . ASN 36 36 15148 1 . PHE 37 37 15148 1 . SER 38 38 15148 1 . GLU 39 39 15148 1 . PHE 40 40 15148 1 . SER 41 41 15148 1 . LYS 42 42 15148 1 . LYS 43 43 15148 1 . CYS 44 44 15148 1 . SER 45 45 15148 1 . GLU 46 46 15148 1 . ARG 47 47 15148 1 . TRP 48 48 15148 1 . LYS 49 49 15148 1 . THR 50 50 15148 1 . MET 51 51 15148 1 . SER 52 52 15148 1 . ALA 53 53 15148 1 . LYS 54 54 15148 1 . GLU 55 55 15148 1 . LYS 56 56 15148 1 . GLY 57 57 15148 1 . LYS 58 58 15148 1 . PHE 59 59 15148 1 . GLU 60 60 15148 1 . ASP 61 61 15148 1 . MET 62 62 15148 1 . ALA 63 63 15148 1 . LYS 64 64 15148 1 . ALA 65 65 15148 1 . ASP 66 66 15148 1 . LYS 67 67 15148 1 . ALA 68 68 15148 1 . ARG 69 69 15148 1 . TYR 70 70 15148 1 . GLU 71 71 15148 1 . ARG 72 72 15148 1 . GLU 73 73 15148 1 . MET 74 74 15148 1 . LYS 75 75 15148 1 . THR 76 76 15148 1 . TYR 77 77 15148 1 . ILE 78 78 15148 1 . PRO 79 79 15148 1 . PRO 80 80 15148 1 . LYS 81 81 15148 1 . GLY 82 82 15148 1 . GLU 83 83 15148 1 . THR 84 84 15148 1 . LYS 85 85 15148 1 . LYS 86 86 15148 1 . LYS 87 87 15148 1 . PHE 88 88 15148 1 . LYS 89 89 15148 1 . ASP 90 90 15148 1 . PRO 91 91 15148 1 . ASN 92 92 15148 1 . ALA 93 93 15148 1 . PRO 94 94 15148 1 . LYS 95 95 15148 1 . ARG 96 96 15148 1 . PRO 97 97 15148 1 . PRO 98 98 15148 1 . SER 99 99 15148 1 . ALA 100 100 15148 1 . PHE 101 101 15148 1 . PHE 102 102 15148 1 . LEU 103 103 15148 1 . PHE 104 104 15148 1 . CYS 105 105 15148 1 . SER 106 106 15148 1 . GLU 107 107 15148 1 . TYR 108 108 15148 1 . ARG 109 109 15148 1 . PRO 110 110 15148 1 . LYS 111 111 15148 1 . ILE 112 112 15148 1 . LYS 113 113 15148 1 . GLY 114 114 15148 1 . GLU 115 115 15148 1 . HIS 116 116 15148 1 . PRO 117 117 15148 1 . GLY 118 118 15148 1 . LEU 119 119 15148 1 . SER 120 120 15148 1 . ILE 121 121 15148 1 . GLY 122 122 15148 1 . ASP 123 123 15148 1 . VAL 124 124 15148 1 . ALA 125 125 15148 1 . LYS 126 126 15148 1 . LYS 127 127 15148 1 . LEU 128 128 15148 1 . GLY 129 129 15148 1 . GLU 130 130 15148 1 . MET 131 131 15148 1 . TRP 132 132 15148 1 . ASN 133 133 15148 1 . ASN 134 134 15148 1 . THR 135 135 15148 1 . ALA 136 136 15148 1 . ALA 137 137 15148 1 . ASP 138 138 15148 1 . ASP 139 139 15148 1 . LYS 140 140 15148 1 . GLN 141 141 15148 1 . PRO 142 142 15148 1 . TYR 143 143 15148 1 . GLU 144 144 15148 1 . LYS 145 145 15148 1 . LYS 146 146 15148 1 . ALA 147 147 15148 1 . ALA 148 148 15148 1 . LYS 149 149 15148 1 . LEU 150 150 15148 1 . LYS 151 151 15148 1 . GLU 152 152 15148 1 . LYS 153 153 15148 1 . TYR 154 154 15148 1 . GLU 155 155 15148 1 . LYS 156 156 15148 1 . ASP 157 157 15148 1 . ILE 158 158 15148 1 . ALA 159 159 15148 1 . ALA 160 160 15148 1 . TYR 161 161 15148 1 . ARG 162 162 15148 1 . ALA 163 163 15148 1 . LYS 164 164 15148 1 . GLY 165 165 15148 1 . LYS 166 166 15148 1 . PRO 167 167 15148 1 . ASP 168 168 15148 1 . ALA 169 169 15148 1 . ALA 170 170 15148 1 . LYS 171 171 15148 1 . LYS 172 172 15148 1 . GLY 173 173 15148 1 . VAL 174 174 15148 1 . VAL 175 175 15148 1 . LYS 176 176 15148 1 . ALA 177 177 15148 1 . GLU 178 178 15148 1 . LYS 179 179 15148 1 . SER 180 180 15148 1 . LYS 181 181 15148 1 . LYS 182 182 15148 1 . LYS 183 183 15148 1 . LYS 184 184 15148 1 . GLU 185 185 15148 1 . GLU 186 186 15148 1 . GLU 187 187 15148 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 15148 _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_ABbtail . 562 plasmid . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15148 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 15148 _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_ABbtail . 'recombinant technology' 'Escherichia coli' . . . . . . . . . . . . . . . . . . . . . pET-24d . . . . . . 15148 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15148 _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 ABbtail' '[U-100% 13C; U-100% 15N]' . . 1 $HMGB1_ABbtail . . . 0.1 0.3 mM . . . . 15148 1 2 NaCl . . . . . . . 150 . . mM . . . . 15148 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 15148 _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 15148 1 pH 7 . pH 15148 1 pressure 1 . atm 15148 1 temperature 298 . K 15148 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15148 _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' . . 15148 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15148 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 15148 _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 15148 _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 15148 _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 . . . 15148 1 2 spectrometer_1 Bruker AMX . 600 . . . 15148 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 15148 _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 . . . . . . . . . . . . . . . . . . . . . 15148 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15148 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15148 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15148 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15148 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15148 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 15148 _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 . . . . . . . . . 15148 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15148 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15148 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 15148 _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' . . . 15148 1 2 '3D HNCO' . . . 15148 1 3 '3D HNCA' . . . 15148 1 4 '3D HNCACB' . . . 15148 1 5 '3D HN(CO)CA' . . . 15148 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 1 1 GLY H H 1 7.363 0.090 . 1 . . . . 1 GLY H . 15148 1 2 . 1 1 1 1 GLY N N 15 110.541 0.100 . 1 . . . . 1 GLY N . 15148 1 3 . 1 1 1 1 GLY CA C 13 41.124 0.200 . 1 . . . . 1 GLY CA . 15148 1 4 . 1 1 2 2 LYS H H 1 8.739 0.090 . 1 . . . . 2 LYS H . 15148 1 5 . 1 1 2 2 LYS N N 15 120.996 0.100 . 1 . . . . 2 LYS N . 15148 1 6 . 1 1 2 2 LYS CA C 13 54.666 0.200 . 1 . . . . 2 LYS CA . 15148 1 7 . 1 1 2 2 LYS CB C 13 30.074 0.200 . 1 . . . . 2 LYS CB . 15148 1 8 . 1 1 3 3 GLY H H 1 8.663 0.090 . 1 . . . . 3 GLY H . 15148 1 9 . 1 1 3 3 GLY N N 15 110.554 0.100 . 1 . . . . 3 GLY N . 15148 1 10 . 1 1 3 3 GLY CA C 13 42.463 0.200 . 1 . . . . 3 GLY CA . 15148 1 11 . 1 1 4 4 ASP H H 1 8.121 0.090 . 1 . . . . 4 ASP H . 15148 1 12 . 1 1 4 4 ASP N N 15 121.098 0.100 . 1 . . . . 4 ASP N . 15148 1 13 . 1 1 4 4 ASP CA C 13 49.960 0.200 . 1 . . . . 4 ASP CA . 15148 1 14 . 1 1 4 4 ASP CB C 13 37.957 0.200 . 1 . . . . 4 ASP CB . 15148 1 15 . 1 1 5 5 PRO CA C 13 60.744 0.200 . 1 . . . . 5 PRO CA . 15148 1 16 . 1 1 6 6 LYS H H 1 8.407 0.090 . 1 . . . . 6 LYS H . 15148 1 17 . 1 1 6 6 LYS N N 15 120.395 0.100 . 1 . . . . 6 LYS N . 15148 1 18 . 1 1 6 6 LYS CA C 13 53.169 0.200 . 1 . . . . 6 LYS CA . 15148 1 19 . 1 1 6 6 LYS CB C 13 30.025 0.200 . 1 . . . . 6 LYS CB . 15148 1 20 . 1 1 7 7 LYS H H 1 8.010 0.090 . 1 . . . . 7 LYS H . 15148 1 21 . 1 1 7 7 LYS N N 15 123.587 0.100 . 1 . . . . 7 LYS N . 15148 1 22 . 1 1 7 7 LYS CA C 13 52.005 0.200 . 1 . . . . 7 LYS CA . 15148 1 23 . 1 1 7 7 LYS CB C 13 30.145 0.200 . 1 . . . . 7 LYS CB . 15148 1 24 . 1 1 8 8 PRO CA C 13 60.117 0.200 . 1 . . . . 8 PRO CA . 15148 1 25 . 1 1 8 8 PRO CB C 13 29.151 0.200 . 1 . . . . 8 PRO CB . 15148 1 26 . 1 1 9 9 ARG H H 1 8.960 0.090 . 1 . . . . 9 ARG H . 15148 1 27 . 1 1 9 9 ARG N N 15 124.122 0.100 . 1 . . . . 9 ARG N . 15148 1 28 . 1 1 9 9 ARG CA C 13 54.162 0.200 . 1 . . . . 9 ARG CA . 15148 1 29 . 1 1 9 9 ARG CB C 13 27.588 0.200 . 1 . . . . 9 ARG CB . 15148 1 30 . 1 1 10 10 GLY H H 1 8.622 0.090 . 1 . . . . 10 GLY H . 15148 1 31 . 1 1 10 10 GLY N N 15 110.733 0.100 . 1 . . . . 10 GLY N . 15148 1 32 . 1 1 10 10 GLY CA C 13 42.794 0.200 . 1 . . . . 10 GLY CA . 15148 1 33 . 1 1 11 11 LYS H H 1 7.681 0.090 . 1 . . . . 11 LYS H . 15148 1 34 . 1 1 11 11 LYS N N 15 119.747 0.100 . 1 . . . . 11 LYS N . 15148 1 35 . 1 1 11 11 LYS CA C 13 54.054 0.200 . 1 . . . . 11 LYS CA . 15148 1 36 . 1 1 11 11 LYS CB C 13 29.364 0.200 . 1 . . . . 11 LYS CB . 15148 1 37 . 1 1 12 12 MET H H 1 9.031 0.090 . 1 . . . . 12 MET H . 15148 1 38 . 1 1 12 12 MET N N 15 124.497 0.100 . 1 . . . . 12 MET N . 15148 1 39 . 1 1 12 12 MET CA C 13 52.432 0.200 . 1 . . . . 12 MET CA . 15148 1 40 . 1 1 12 12 MET CB C 13 32.418 0.200 . 1 . . . . 12 MET CB . 15148 1 41 . 1 1 13 13 SER H H 1 8.203 0.090 . 1 . . . . 13 SER H . 15148 1 42 . 1 1 13 13 SER N N 15 118.984 0.100 . 1 . . . . 13 SER N . 15148 1 43 . 1 1 13 13 SER CA C 13 54.666 0.200 . 1 . . . . 13 SER CA . 15148 1 44 . 1 1 13 13 SER CB C 13 62.815 0.200 . 1 . . . . 13 SER CB . 15148 1 45 . 1 1 14 14 SER H H 1 9.322 0.090 . 1 . . . . 14 SER H . 15148 1 46 . 1 1 14 14 SER N N 15 116.067 0.100 . 1 . . . . 14 SER N . 15148 1 47 . 1 1 14 14 SER CA C 13 58.868 0.200 . 1 . . . . 14 SER CA . 15148 1 48 . 1 1 14 14 SER CB C 13 59.477 0.200 . 1 . . . . 14 SER CB . 15148 1 49 . 1 1 15 15 TYR H H 1 7.973 0.090 . 1 . . . . 15 TYR H . 15148 1 50 . 1 1 15 15 TYR N N 15 121.607 0.100 . 1 . . . . 15 TYR N . 15148 1 51 . 1 1 15 15 TYR CA C 13 58.034 0.200 . 1 . . . . 15 TYR CA . 15148 1 52 . 1 1 15 15 TYR CB C 13 35.330 0.200 . 1 . . . . 15 TYR CB . 15148 1 53 . 1 1 16 16 ALA H H 1 7.899 0.090 . 1 . . . . 16 ALA H . 15148 1 54 . 1 1 16 16 ALA N N 15 121.500 0.100 . 1 . . . . 16 ALA N . 15148 1 55 . 1 1 16 16 ALA CA C 13 52.699 0.200 . 1 . . . . 16 ALA CA . 15148 1 56 . 1 1 16 16 ALA CB C 13 15.372 0.200 . 1 . . . . 16 ALA CB . 15148 1 57 . 1 1 17 17 PHE H H 1 8.325 0.090 . 1 . . . . 17 PHE H . 15148 1 58 . 1 1 17 17 PHE N N 15 117.887 0.100 . 1 . . . . 17 PHE N . 15148 1 59 . 1 1 17 17 PHE CA C 13 61.169 0.200 . 1 . . . . 17 PHE CA . 15148 1 60 . 1 1 17 17 PHE CB C 13 37.176 0.200 . 1 . . . . 17 PHE CB . 15148 1 61 . 1 1 18 18 PHE H H 1 8.104 0.090 . 1 . . . . 18 PHE H . 15148 1 62 . 1 1 18 18 PHE N N 15 124.925 0.100 . 1 . . . . 18 PHE N . 15148 1 63 . 1 1 18 18 PHE CA C 13 58.468 0.200 . 1 . . . . 18 PHE CA . 15148 1 64 . 1 1 18 18 PHE CB C 13 35.685 0.200 . 1 . . . . 18 PHE CB . 15148 1 65 . 1 1 19 19 VAL H H 1 8.475 0.090 . 1 . . . . 19 VAL H . 15148 1 66 . 1 1 19 19 VAL N N 15 122.102 0.100 . 1 . . . . 19 VAL N . 15148 1 67 . 1 1 19 19 VAL CA C 13 64.740 0.200 . 1 . . . . 19 VAL CA . 15148 1 68 . 1 1 19 19 VAL CB C 13 27.730 0.200 . 1 . . . . 19 VAL CB . 15148 1 69 . 1 1 20 20 GLN H H 1 7.841 0.090 . 1 . . . . 20 GLN H . 15148 1 70 . 1 1 20 20 GLN N N 15 117.994 0.100 . 1 . . . . 20 GLN N . 15148 1 71 . 1 1 20 20 GLN CA C 13 56.963 0.200 . 1 . . . . 20 GLN CA . 15148 1 72 . 1 1 20 20 GLN CB C 13 26.381 0.200 . 1 . . . . 20 GLN CB . 15148 1 73 . 1 1 21 21 THR H H 1 8.192 0.090 . 1 . . . . 21 THR H . 15148 1 74 . 1 1 21 21 THR N N 15 116.107 0.100 . 1 . . . . 21 THR N . 15148 1 75 . 1 1 21 21 THR CA C 13 64.728 0.200 . 1 . . . . 21 THR CA . 15148 1 76 . 1 1 21 21 THR CB C 13 66.438 0.200 . 1 . . . . 21 THR CB . 15148 1 77 . 1 1 22 22 CYS H H 1 8.372 0.090 . 1 . . . . 22 CYS H . 15148 1 78 . 1 1 22 22 CYS N N 15 120.603 0.100 . 1 . . . . 22 CYS N . 15148 1 79 . 1 1 22 22 CYS CA C 13 61.177 0.200 . 1 . . . . 22 CYS CA . 15148 1 80 . 1 1 23 23 ARG H H 1 8.898 0.090 . 1 . . . . 23 ARG H . 15148 1 81 . 1 1 23 23 ARG N N 15 122.530 0.100 . 1 . . . . 23 ARG N . 15148 1 82 . 1 1 23 23 ARG CA C 13 57.350 0.200 . 1 . . . . 23 ARG CA . 15148 1 83 . 1 1 23 23 ARG CB C 13 27.304 0.200 . 1 . . . . 23 ARG CB . 15148 1 84 . 1 1 24 24 GLU H H 1 8.194 0.090 . 1 . . . . 24 GLU H . 15148 1 85 . 1 1 24 24 GLU N N 15 120.175 0.100 . 1 . . . . 24 GLU N . 15148 1 86 . 1 1 24 24 GLU CA C 13 56.863 0.200 . 1 . . . . 24 GLU CA . 15148 1 87 . 1 1 24 24 GLU CB C 13 26.665 0.200 . 1 . . . . 24 GLU CB . 15148 1 88 . 1 1 25 25 GLU H H 1 8.323 0.090 . 1 . . . . 25 GLU H . 15148 1 89 . 1 1 25 25 GLU N N 15 119.599 0.100 . 1 . . . . 25 GLU N . 15148 1 90 . 1 1 25 25 GLU CA C 13 56.767 0.200 . 1 . . . . 25 GLU CA . 15148 1 91 . 1 1 25 25 GLU CB C 13 26.949 0.200 . 1 . . . . 25 GLU CB . 15148 1 92 . 1 1 26 26 HIS H H 1 8.207 0.090 . 1 . . . . 26 HIS H . 15148 1 93 . 1 1 26 26 HIS N N 15 118.676 0.100 . 1 . . . . 26 HIS N . 15148 1 94 . 1 1 26 26 HIS CA C 13 58.057 0.200 . 1 . . . . 26 HIS CA . 15148 1 95 . 1 1 27 27 LYS H H 1 7.945 0.090 . 1 . . . . 27 LYS H . 15148 1 96 . 1 1 27 27 LYS N N 15 118.101 0.100 . 1 . . . . 27 LYS N . 15148 1 97 . 1 1 27 27 LYS CA C 13 55.900 0.200 . 1 . . . . 27 LYS CA . 15148 1 98 . 1 1 27 27 LYS CB C 13 29.577 0.200 . 1 . . . . 27 LYS CB . 15148 1 99 . 1 1 28 28 LYS H H 1 7.559 0.090 . 1 . . . . 28 LYS H . 15148 1 100 . 1 1 28 28 LYS N N 15 116.468 0.100 . 1 . . . . 28 LYS N . 15148 1 101 . 1 1 28 28 LYS CA C 13 56.067 0.200 . 1 . . . . 28 LYS CA . 15148 1 102 . 1 1 28 28 LYS CB C 13 29.790 0.200 . 1 . . . . 28 LYS CB . 15148 1 103 . 1 1 29 29 LYS H H 1 7.505 0.090 . 1 . . . . 29 LYS H . 15148 1 104 . 1 1 29 29 LYS N N 15 115.612 0.100 . 1 . . . . 29 LYS N . 15148 1 105 . 1 1 29 29 LYS CA C 13 54.745 0.200 . 1 . . . . 29 LYS CA . 15148 1 106 . 1 1 29 29 LYS CB C 13 31.139 0.200 . 1 . . . . 29 LYS CB . 15148 1 107 . 1 1 30 30 HIS H H 1 7.990 0.090 . 1 . . . . 30 HIS H . 15148 1 108 . 1 1 30 30 HIS N N 15 115.050 0.100 . 1 . . . . 30 HIS N . 15148 1 109 . 1 1 30 30 HIS CA C 13 49.823 0.200 . 1 . . . . 30 HIS CA . 15148 1 110 . 1 1 30 30 HIS CB C 13 25.883 0.200 . 1 . . . . 30 HIS CB . 15148 1 111 . 1 1 31 31 PRO CA C 13 62.318 0.200 . 1 . . . . 31 PRO CA . 15148 1 112 . 1 1 31 31 PRO CB C 13 29.080 0.200 . 1 . . . . 31 PRO CB . 15148 1 113 . 1 1 32 32 ASP H H 1 8.537 0.090 . 1 . . . . 32 ASP H . 15148 1 114 . 1 1 32 32 ASP N N 15 115.866 0.100 . 1 . . . . 32 ASP N . 15148 1 115 . 1 1 32 32 ASP CA C 13 51.332 0.200 . 1 . . . . 32 ASP CA . 15148 1 116 . 1 1 32 32 ASP CB C 13 38.312 0.200 . 1 . . . . 32 ASP CB . 15148 1 117 . 1 1 33 33 ALA H H 1 7.528 0.090 . 1 . . . . 33 ALA H . 15148 1 118 . 1 1 33 33 ALA N N 15 122.516 0.100 . 1 . . . . 33 ALA N . 15148 1 119 . 1 1 33 33 ALA CA C 13 49.564 0.200 . 1 . . . . 33 ALA CA . 15148 1 120 . 1 1 33 33 ALA CB C 13 17.574 0.200 . 1 . . . . 33 ALA CB . 15148 1 121 . 1 1 34 34 SER H H 1 8.596 0.090 . 1 . . . . 34 SER H . 15148 1 122 . 1 1 34 34 SER N N 15 117.405 0.100 . 1 . . . . 34 SER N . 15148 1 123 . 1 1 34 34 SER CA C 13 55.433 0.200 . 1 . . . . 34 SER CA . 15148 1 124 . 1 1 34 34 SER CB C 13 60.969 0.200 . 1 . . . . 34 SER CB . 15148 1 125 . 1 1 35 35 VAL H H 1 8.300 0.090 . 1 . . . . 35 VAL H . 15148 1 126 . 1 1 35 35 VAL N N 15 122.102 0.100 . 1 . . . . 35 VAL N . 15148 1 127 . 1 1 35 35 VAL CA C 13 59.034 0.200 . 1 . . . . 35 VAL CA . 15148 1 128 . 1 1 35 35 VAL CB C 13 30.358 0.200 . 1 . . . . 35 VAL CB . 15148 1 129 . 1 1 36 36 ASN H H 1 8.692 0.090 . 1 . . . . 36 ASN H . 15148 1 130 . 1 1 36 36 ASN N N 15 124.952 0.100 . 1 . . . . 36 ASN N . 15148 1 131 . 1 1 36 36 ASN CA C 13 49.998 0.200 . 1 . . . . 36 ASN CA . 15148 1 132 . 1 1 36 36 ASN CB C 13 35.685 0.200 . 1 . . . . 36 ASN CB . 15148 1 133 . 1 1 37 37 PHE H H 1 8.945 0.090 . 1 . . . . 37 PHE H . 15148 1 134 . 1 1 37 37 PHE N N 15 125.915 0.100 . 1 . . . . 37 PHE N . 15148 1 135 . 1 1 37 37 PHE CA C 13 59.601 0.200 . 1 . . . . 37 PHE CA . 15148 1 136 . 1 1 37 37 PHE CB C 13 36.278 0.200 . 1 . . . . 37 PHE CB . 15148 1 137 . 1 1 38 38 SER H H 1 8.665 0.090 . 1 . . . . 38 SER H . 15148 1 138 . 1 1 38 38 SER N N 15 116.281 0.100 . 1 . . . . 38 SER N . 15148 1 139 . 1 1 38 38 SER CA C 13 59.301 0.200 . 1 . . . . 38 SER CA . 15148 1 140 . 1 1 38 38 SER CB C 13 60.097 0.200 . 1 . . . . 38 SER CB . 15148 1 141 . 1 1 39 39 GLU H H 1 7.857 0.090 . 1 . . . . 39 GLU H . 15148 1 142 . 1 1 39 39 GLU N N 15 121.901 0.100 . 1 . . . . 39 GLU N . 15148 1 143 . 1 1 39 39 GLU CA C 13 56.203 0.200 . 1 . . . . 39 GLU CA . 15148 1 144 . 1 1 39 39 GLU CB C 13 27.218 0.200 . 1 . . . . 39 GLU CB . 15148 1 145 . 1 1 40 40 PHE H H 1 8.584 0.090 . 1 . . . . 40 PHE H . 15148 1 146 . 1 1 40 40 PHE N N 15 121.459 0.100 . 1 . . . . 40 PHE N . 15148 1 147 . 1 1 40 40 PHE CA C 13 59.072 0.200 . 1 . . . . 40 PHE CA . 15148 1 148 . 1 1 40 40 PHE CB C 13 36.936 0.200 . 1 . . . . 40 PHE CB . 15148 1 149 . 1 1 41 41 SER H H 1 8.474 0.090 . 1 . . . . 41 SER H . 15148 1 150 . 1 1 41 41 SER N N 15 114.541 0.100 . 1 . . . . 41 SER N . 15148 1 151 . 1 1 41 41 SER CA C 13 59.405 0.200 . 1 . . . . 41 SER CA . 15148 1 152 . 1 1 41 41 SER CB C 13 60.243 0.200 . 1 . . . . 41 SER CB . 15148 1 153 . 1 1 42 42 LYS H H 1 7.503 0.090 . 1 . . . . 42 LYS H . 15148 1 154 . 1 1 42 42 LYS N N 15 121.794 0.100 . 1 . . . . 42 LYS N . 15148 1 155 . 1 1 42 42 LYS CA C 13 56.962 0.200 . 1 . . . . 42 LYS CA . 15148 1 156 . 1 1 42 42 LYS CB C 13 29.630 0.200 . 1 . . . . 42 LYS CB . 15148 1 157 . 1 1 43 43 LYS H H 1 7.854 0.090 . 1 . . . . 43 LYS H . 15148 1 158 . 1 1 43 43 LYS N N 15 119.332 0.100 . 1 . . . . 43 LYS N . 15148 1 159 . 1 1 43 43 LYS CA C 13 56.700 0.200 . 1 . . . . 43 LYS CA . 15148 1 160 . 1 1 43 43 LYS CB C 13 29.191 0.200 . 1 . . . . 43 LYS CB . 15148 1 161 . 1 1 44 44 CYS H H 1 8.066 0.090 . 1 . . . . 44 CYS H . 15148 1 162 . 1 1 44 44 CYS N N 15 117.218 0.100 . 1 . . . . 44 CYS N . 15148 1 163 . 1 1 44 44 CYS CA C 13 61.969 0.200 . 1 . . . . 44 CYS CA . 15148 1 164 . 1 1 44 44 CYS CB C 13 24.150 0.200 . 1 . . . . 44 CYS CB . 15148 1 165 . 1 1 45 45 SER H H 1 8.320 0.090 . 1 . . . . 45 SER H . 15148 1 166 . 1 1 45 45 SER N N 15 116.870 0.100 . 1 . . . . 45 SER N . 15148 1 167 . 1 1 45 45 SER CA C 13 59.584 0.200 . 1 . . . . 45 SER CA . 15148 1 168 . 1 1 46 46 GLU H H 1 8.054 0.090 . 1 . . . . 46 GLU H . 15148 1 169 . 1 1 46 46 GLU N N 15 120.817 0.100 . 1 . . . . 46 GLU N . 15148 1 170 . 1 1 46 46 GLU CA C 13 56.664 0.200 . 1 . . . . 46 GLU CA . 15148 1 171 . 1 1 46 46 GLU CB C 13 26.874 0.200 . 1 . . . . 46 GLU CB . 15148 1 172 . 1 1 47 47 ARG H H 1 8.045 0.090 . 1 . . . . 47 ARG H . 15148 1 173 . 1 1 47 47 ARG N N 15 119.318 0.100 . 1 . . . . 47 ARG N . 15148 1 174 . 1 1 47 47 ARG CA C 13 56.431 0.200 . 1 . . . . 47 ARG CA . 15148 1 175 . 1 1 47 47 ARG CB C 13 27.932 0.200 . 1 . . . . 47 ARG CB . 15148 1 176 . 1 1 48 48 TRP H H 1 8.665 0.090 . 1 . . . . 48 TRP H . 15148 1 177 . 1 1 48 48 TRP N N 15 120.389 0.100 . 1 . . . . 48 TRP N . 15148 1 178 . 1 1 48 48 TRP CA C 13 57.095 0.200 . 1 . . . . 48 TRP CA . 15148 1 179 . 1 1 48 48 TRP CB C 13 28.144 0.200 . 1 . . . . 48 TRP CB . 15148 1 180 . 1 1 49 49 LYS H H 1 7.588 0.090 . 1 . . . . 49 LYS H . 15148 1 181 . 1 1 49 49 LYS N N 15 114.354 0.100 . 1 . . . . 49 LYS N . 15148 1 182 . 1 1 49 49 LYS CA C 13 56.392 0.200 . 1 . . . . 49 LYS CA . 15148 1 183 . 1 1 49 49 LYS CB C 13 30.191 0.200 . 1 . . . . 49 LYS CB . 15148 1 184 . 1 1 50 50 THR H H 1 7.398 0.090 . 1 . . . . 50 THR H . 15148 1 185 . 1 1 50 50 THR N N 15 106.138 0.100 . 1 . . . . 50 THR N . 15148 1 186 . 1 1 50 50 THR CA C 13 58.834 0.200 . 1 . . . . 50 THR CA . 15148 1 187 . 1 1 50 50 THR CB C 13 67.101 0.200 . 1 . . . . 50 THR CB . 15148 1 188 . 1 1 51 51 MET H H 1 7.129 0.090 . 1 . . . . 51 MET H . 15148 1 189 . 1 1 51 51 MET N N 15 123.480 0.100 . 1 . . . . 51 MET N . 15148 1 190 . 1 1 51 51 MET CA C 13 53.966 0.200 . 1 . . . . 51 MET CA . 15148 1 191 . 1 1 51 51 MET CB C 13 32.449 0.200 . 1 . . . . 51 MET CB . 15148 1 192 . 1 1 52 52 SER H H 1 9.026 0.090 . 1 . . . . 52 SER H . 15148 1 193 . 1 1 52 52 SER N N 15 119.653 0.100 . 1 . . . . 52 SER N . 15148 1 194 . 1 1 52 52 SER CA C 13 54.666 0.200 . 1 . . . . 52 SER CA . 15148 1 195 . 1 1 52 52 SER CB C 13 62.726 0.200 . 1 . . . . 52 SER CB . 15148 1 196 . 1 1 53 53 ALA H H 1 8.871 0.090 . 1 . . . . 53 ALA H . 15148 1 197 . 1 1 53 53 ALA N N 15 122.958 0.100 . 1 . . . . 53 ALA N . 15148 1 198 . 1 1 53 53 ALA CA C 13 53.097 0.200 . 1 . . . . 53 ALA CA . 15148 1 199 . 1 1 53 53 ALA CB C 13 15.158 0.200 . 1 . . . . 53 ALA CB . 15148 1 200 . 1 1 54 54 LYS H H 1 8.257 0.090 . 1 . . . . 54 LYS H . 15148 1 201 . 1 1 54 54 LYS N N 15 117.753 0.100 . 1 . . . . 54 LYS N . 15148 1 202 . 1 1 54 54 LYS CA C 13 56.667 0.200 . 1 . . . . 54 LYS CA . 15148 1 203 . 1 1 54 54 LYS CB C 13 29.626 0.200 . 1 . . . . 54 LYS CB . 15148 1 204 . 1 1 55 55 GLU H H 1 7.680 0.090 . 1 . . . . 55 GLU H . 15148 1 205 . 1 1 55 55 GLU N N 15 119.961 0.100 . 1 . . . . 55 GLU N . 15148 1 206 . 1 1 55 55 GLU CA C 13 56.709 0.200 . 1 . . . . 55 GLU CA . 15148 1 207 . 1 1 55 55 GLU CB C 13 27.579 0.200 . 1 . . . . 55 GLU CB . 15148 1 208 . 1 1 56 56 LYS H H 1 8.130 0.090 . 1 . . . . 56 LYS H . 15148 1 209 . 1 1 56 56 LYS N N 15 116.749 0.100 . 1 . . . . 56 LYS N . 15148 1 210 . 1 1 56 56 LYS CA C 13 57.080 0.200 . 1 . . . . 56 LYS CA . 15148 1 211 . 1 1 56 56 LYS CB C 13 35.343 0.200 . 1 . . . . 56 LYS CB . 15148 1 212 . 1 1 57 57 GLY H H 1 7.859 0.090 . 1 . . . . 57 GLY H . 15148 1 213 . 1 1 57 57 GLY N N 15 106.807 0.100 . 1 . . . . 57 GLY N . 15148 1 214 . 1 1 57 57 GLY CA C 13 45.449 0.200 . 1 . . . . 57 GLY CA . 15148 1 215 . 1 1 58 58 LYS H H 1 7.921 0.090 . 1 . . . . 58 LYS H . 15148 1 216 . 1 1 58 58 LYS N N 15 119.011 0.100 . 1 . . . . 58 LYS N . 15148 1 217 . 1 1 58 58 LYS CA C 13 56.473 0.200 . 1 . . . . 58 LYS CA . 15148 1 218 . 1 1 58 58 LYS CB C 13 28.920 0.200 . 1 . . . . 58 LYS CB . 15148 1 219 . 1 1 59 59 PHE H H 1 7.311 0.090 . 1 . . . . 59 PHE H . 15148 1 220 . 1 1 59 59 PHE N N 15 119.549 0.100 . 1 . . . . 59 PHE N . 15148 1 221 . 1 1 59 59 PHE CA C 13 58.295 0.200 . 1 . . . . 59 PHE CA . 15148 1 222 . 1 1 59 59 PHE CB C 13 35.978 0.200 . 1 . . . . 59 PHE CB . 15148 1 223 . 1 1 60 60 GLU H H 1 8.429 0.090 . 1 . . . . 60 GLU H . 15148 1 224 . 1 1 60 60 GLU N N 15 121.775 0.100 . 1 . . . . 60 GLU N . 15148 1 225 . 1 1 60 60 GLU CA C 13 56.776 0.200 . 1 . . . . 60 GLU CA . 15148 1 226 . 1 1 60 60 GLU CB C 13 26.027 0.200 . 1 . . . . 60 GLU CB . 15148 1 227 . 1 1 61 61 ASP H H 1 8.641 0.090 . 1 . . . . 61 ASP H . 15148 1 228 . 1 1 61 61 ASP N N 15 120.817 0.100 . 1 . . . . 61 ASP N . 15148 1 229 . 1 1 61 61 ASP CA C 13 55.171 0.200 . 1 . . . . 61 ASP CA . 15148 1 230 . 1 1 61 61 ASP CB C 13 36.825 0.200 . 1 . . . . 61 ASP CB . 15148 1 231 . 1 1 62 62 MET H H 1 7.382 0.090 . 1 . . . . 62 MET H . 15148 1 232 . 1 1 62 62 MET N N 15 120.400 0.100 . 1 . . . . 62 MET N . 15148 1 233 . 1 1 62 62 MET CA C 13 56.797 0.200 . 1 . . . . 62 MET CA . 15148 1 234 . 1 1 62 62 MET CB C 13 36.717 0.200 . 1 . . . . 62 MET CB . 15148 1 235 . 1 1 63 63 ALA H H 1 8.011 0.090 . 1 . . . . 63 ALA H . 15148 1 236 . 1 1 63 63 ALA N N 15 122.945 0.100 . 1 . . . . 63 ALA N . 15148 1 237 . 1 1 63 63 ALA CA C 13 53.030 0.200 . 1 . . . . 63 ALA CA . 15148 1 238 . 1 1 63 63 ALA CB C 13 15.934 0.200 . 1 . . . . 63 ALA CB . 15148 1 239 . 1 1 64 64 LYS H H 1 8.601 0.090 . 1 . . . . 64 LYS H . 15148 1 240 . 1 1 64 64 LYS N N 15 122.062 0.100 . 1 . . . . 64 LYS N . 15148 1 241 . 1 1 64 64 LYS CA C 13 57.654 0.200 . 1 . . . . 64 LYS CA . 15148 1 242 . 1 1 64 64 LYS CB C 13 29.767 0.200 . 1 . . . . 64 LYS CB . 15148 1 243 . 1 1 65 65 ALA H H 1 7.943 0.090 . 1 . . . . 65 ALA H . 15148 1 244 . 1 1 65 65 ALA N N 15 122.516 0.100 . 1 . . . . 65 ALA N . 15148 1 245 . 1 1 65 65 ALA CA C 13 52.253 0.200 . 1 . . . . 65 ALA CA . 15148 1 246 . 1 1 65 65 ALA CB C 13 15.229 0.200 . 1 . . . . 65 ALA CB . 15148 1 247 . 1 1 66 66 ASP H H 1 8.348 0.090 . 1 . . . . 66 ASP H . 15148 1 248 . 1 1 66 66 ASP N N 15 119.961 0.100 . 1 . . . . 66 ASP N . 15148 1 249 . 1 1 66 66 ASP CA C 13 54.987 0.200 . 1 . . . . 66 ASP CA . 15148 1 250 . 1 1 66 66 ASP CB C 13 40.071 0.200 . 1 . . . . 66 ASP CB . 15148 1 251 . 1 1 67 67 LYS H H 1 8.229 0.090 . 1 . . . . 67 LYS H . 15148 1 252 . 1 1 67 67 LYS N N 15 120.402 0.100 . 1 . . . . 67 LYS N . 15148 1 253 . 1 1 67 67 LYS CA C 13 57.350 0.200 . 1 . . . . 67 LYS CA . 15148 1 254 . 1 1 67 67 LYS CB C 13 30.049 0.200 . 1 . . . . 67 LYS CB . 15148 1 255 . 1 1 68 68 ALA H H 1 7.481 0.090 . 1 . . . . 68 ALA H . 15148 1 256 . 1 1 68 68 ALA N N 15 120.456 0.100 . 1 . . . . 68 ALA N . 15148 1 257 . 1 1 68 68 ALA CA C 13 52.456 0.200 . 1 . . . . 68 ALA CA . 15148 1 258 . 1 1 68 68 ALA CB C 13 15.158 0.200 . 1 . . . . 68 ALA CB . 15148 1 259 . 1 1 69 69 ARG H H 1 7.992 0.090 . 1 . . . . 69 ARG H . 15148 1 260 . 1 1 69 69 ARG N N 15 120.590 0.100 . 1 . . . . 69 ARG N . 15148 1 261 . 1 1 69 69 ARG CA C 13 56.515 0.200 . 1 . . . . 69 ARG CA . 15148 1 262 . 1 1 69 69 ARG CB C 13 26.874 0.200 . 1 . . . . 69 ARG CB . 15148 1 263 . 1 1 70 70 TYR H H 1 8.585 0.090 . 1 . . . . 70 TYR H . 15148 1 264 . 1 1 70 70 TYR N N 15 121.360 0.100 . 1 . . . . 70 TYR N . 15148 1 265 . 1 1 70 70 TYR CA C 13 59.268 0.200 . 1 . . . . 70 TYR CA . 15148 1 266 . 1 1 70 70 TYR CB C 13 37.036 0.200 . 1 . . . . 70 TYR CB . 15148 1 267 . 1 1 71 71 GLU H H 1 8.449 0.090 . 1 . . . . 71 GLU H . 15148 1 268 . 1 1 71 71 GLU N N 15 116.656 0.100 . 1 . . . . 71 GLU N . 15148 1 269 . 1 1 71 71 GLU CA C 13 56.878 0.200 . 1 . . . . 71 GLU CA . 15148 1 270 . 1 1 71 71 GLU CB C 13 26.634 0.200 . 1 . . . . 71 GLU CB . 15148 1 271 . 1 1 72 72 ARG H H 1 8.079 0.090 . 1 . . . . 72 ARG H . 15148 1 272 . 1 1 72 72 ARG N N 15 119.626 0.100 . 1 . . . . 72 ARG N . 15148 1 273 . 1 1 72 72 ARG CA C 13 57.046 0.200 . 1 . . . . 72 ARG CA . 15148 1 274 . 1 1 72 72 ARG CB C 13 26.874 0.200 . 1 . . . . 72 ARG CB . 15148 1 275 . 1 1 73 73 GLU H H 1 8.488 0.090 . 1 . . . . 73 GLU H . 15148 1 276 . 1 1 73 73 GLU N N 15 119.492 0.100 . 1 . . . . 73 GLU N . 15148 1 277 . 1 1 73 73 GLU CA C 13 56.934 0.200 . 1 . . . . 73 GLU CA . 15148 1 278 . 1 1 73 73 GLU CB C 13 27.085 0.200 . 1 . . . . 73 GLU CB . 15148 1 279 . 1 1 74 74 MET H H 1 8.454 0.090 . 1 . . . . 74 MET H . 15148 1 280 . 1 1 74 74 MET N N 15 117.191 0.100 . 1 . . . . 74 MET N . 15148 1 281 . 1 1 74 74 MET CA C 13 53.299 0.200 . 1 . . . . 74 MET CA . 15148 1 282 . 1 1 74 74 MET CB C 13 28.003 0.200 . 1 . . . . 74 MET CB . 15148 1 283 . 1 1 75 75 LYS H H 1 7.517 0.090 . 1 . . . . 75 LYS H . 15148 1 284 . 1 1 75 75 LYS N N 15 118.502 0.100 . 1 . . . . 75 LYS N . 15148 1 285 . 1 1 75 75 LYS CA C 13 56.167 0.200 . 1 . . . . 75 LYS CA . 15148 1 286 . 1 1 75 75 LYS CB C 13 29.979 0.200 . 1 . . . . 75 LYS CB . 15148 1 287 . 1 1 76 76 THR H H 1 7.355 0.090 . 1 . . . . 76 THR H . 15148 1 288 . 1 1 76 76 THR N N 15 106.995 0.100 . 1 . . . . 76 THR N . 15148 1 289 . 1 1 76 76 THR CA C 13 59.001 0.200 . 1 . . . . 76 THR CA . 15148 1 290 . 1 1 76 76 THR CB C 13 66.678 0.200 . 1 . . . . 76 THR CB . 15148 1 291 . 1 1 77 77 TYR H H 1 7.530 0.090 . 1 . . . . 77 TYR H . 15148 1 292 . 1 1 77 77 TYR N N 15 123.426 0.100 . 1 . . . . 77 TYR N . 15148 1 293 . 1 1 77 77 TYR CA C 13 55.833 0.200 . 1 . . . . 77 TYR CA . 15148 1 294 . 1 1 77 77 TYR CB C 13 36.331 0.200 . 1 . . . . 77 TYR CB . 15148 1 295 . 1 1 78 78 ILE H H 1 7.799 0.090 . 1 . . . . 78 ILE H . 15148 1 296 . 1 1 78 78 ILE N N 15 128.672 0.100 . 1 . . . . 78 ILE N . 15148 1 297 . 1 1 78 78 ILE CA C 13 54.933 0.200 . 1 . . . . 78 ILE CA . 15148 1 298 . 1 1 78 78 ILE CB C 13 36.331 0.200 . 1 . . . . 78 ILE CB . 15148 1 299 . 1 1 80 80 PRO CA C 13 59.973 0.200 . 1 . . . . 80 PRO CA . 15148 1 300 . 1 1 81 81 LYS H H 1 8.457 0.090 . 1 . . . . 81 LYS H . 15148 1 301 . 1 1 81 81 LYS N N 15 121.633 0.100 . 1 . . . . 81 LYS N . 15148 1 302 . 1 1 81 81 LYS CA C 13 54.191 0.200 . 1 . . . . 81 LYS CA . 15148 1 303 . 1 1 81 81 LYS CB C 13 30.544 0.200 . 1 . . . . 81 LYS CB . 15148 1 304 . 1 1 82 82 GLY H H 1 8.455 0.090 . 1 . . . . 82 GLY H . 15148 1 305 . 1 1 82 82 GLY N N 15 109.688 0.100 . 1 . . . . 82 GLY N . 15148 1 306 . 1 1 82 82 GLY CA C 13 42.731 0.200 . 1 . . . . 82 GLY CA . 15148 1 307 . 1 1 83 83 GLU H H 1 8.347 0.090 . 1 . . . . 83 GLU H . 15148 1 308 . 1 1 83 83 GLU N N 15 120.389 0.100 . 1 . . . . 83 GLU N . 15148 1 309 . 1 1 83 83 GLU CA C 13 53.923 0.200 . 1 . . . . 83 GLU CA . 15148 1 310 . 1 1 83 83 GLU CB C 13 27.932 0.200 . 1 . . . . 83 GLU CB . 15148 1 311 . 1 1 84 84 THR H H 1 8.371 0.090 . 1 . . . . 84 THR H . 15148 1 312 . 1 1 84 84 THR N N 15 116.040 0.100 . 1 . . . . 84 THR N . 15148 1 313 . 1 1 84 84 THR CA C 13 59.652 0.200 . 1 . . . . 84 THR CA . 15148 1 314 . 1 1 84 84 THR CB C 13 67.101 0.200 . 1 . . . . 84 THR CB . 15148 1 315 . 1 1 85 85 LYS H H 1 8.422 0.090 . 1 . . . . 85 LYS H . 15148 1 316 . 1 1 85 85 LYS N N 15 124.122 0.100 . 1 . . . . 85 LYS N . 15148 1 317 . 1 1 85 85 LYS CA C 13 53.856 0.200 . 1 . . . . 85 LYS CA . 15148 1 318 . 1 1 85 85 LYS CB C 13 30.473 0.200 . 1 . . . . 85 LYS CB . 15148 1 319 . 1 1 86 86 LYS H H 1 8.337 0.090 . 1 . . . . 86 LYS H . 15148 1 320 . 1 1 86 86 LYS N N 15 122.784 0.100 . 1 . . . . 86 LYS N . 15148 1 321 . 1 1 86 86 LYS CA C 13 53.799 0.200 . 1 . . . . 86 LYS CA . 15148 1 322 . 1 1 86 86 LYS CB C 13 30.402 0.200 . 1 . . . . 86 LYS CB . 15148 1 323 . 1 1 87 87 LYS H H 1 8.299 0.090 . 1 . . . . 87 LYS H . 15148 1 324 . 1 1 87 87 LYS N N 15 122.530 0.100 . 1 . . . . 87 LYS N . 15148 1 325 . 1 1 87 87 LYS CA C 13 53.788 0.200 . 1 . . . . 87 LYS CA . 15148 1 326 . 1 1 87 87 LYS CB C 13 30.658 0.200 . 1 . . . . 87 LYS CB . 15148 1 327 . 1 1 88 88 PHE H H 1 8.324 0.090 . 1 . . . . 88 PHE H . 15148 1 328 . 1 1 88 88 PHE N N 15 121.888 0.100 . 1 . . . . 88 PHE N . 15148 1 329 . 1 1 88 88 PHE CA C 13 55.028 0.200 . 1 . . . . 88 PHE CA . 15148 1 330 . 1 1 88 88 PHE CB C 13 37.258 0.200 . 1 . . . . 88 PHE CB . 15148 1 331 . 1 1 89 89 LYS H H 1 8.214 0.090 . 1 . . . . 89 LYS H . 15148 1 332 . 1 1 89 89 LYS N N 15 124.457 0.100 . 1 . . . . 89 LYS N . 15148 1 333 . 1 1 89 89 LYS CA C 13 53.185 0.200 . 1 . . . . 89 LYS CA . 15148 1 334 . 1 1 89 89 LYS CB C 13 30.394 0.200 . 1 . . . . 89 LYS CB . 15148 1 335 . 1 1 90 90 ASP H H 1 8.039 0.090 . 1 . . . . 90 ASP H . 15148 1 336 . 1 1 90 90 ASP N N 15 119.104 0.100 . 1 . . . . 90 ASP N . 15148 1 337 . 1 1 90 90 ASP CA C 13 56.830 0.200 . 1 . . . . 90 ASP CA . 15148 1 338 . 1 1 92 92 ASN H H 1 8.372 0.090 . 1 . . . . 92 ASN H . 15148 1 339 . 1 1 92 92 ASN N N 15 115.893 0.100 . 1 . . . . 92 ASN N . 15148 1 340 . 1 1 92 92 ASN CA C 13 50.224 0.200 . 1 . . . . 92 ASN CA . 15148 1 341 . 1 1 92 92 ASN CB C 13 36.478 0.200 . 1 . . . . 92 ASN CB . 15148 1 342 . 1 1 93 93 ALA H H 1 7.319 0.090 . 1 . . . . 93 ALA H . 15148 1 343 . 1 1 93 93 ALA N N 15 123.346 0.100 . 1 . . . . 93 ALA N . 15148 1 344 . 1 1 93 93 ALA CA C 13 48.030 0.200 . 1 . . . . 93 ALA CA . 15148 1 345 . 1 1 95 95 LYS H H 1 8.525 0.090 . 1 . . . . 95 LYS H . 15148 1 346 . 1 1 95 95 LYS N N 15 123.266 0.100 . 1 . . . . 95 LYS N . 15148 1 347 . 1 1 95 95 LYS CA C 13 52.962 0.200 . 1 . . . . 95 LYS CA . 15148 1 348 . 1 1 95 95 LYS CB C 13 30.725 0.200 . 1 . . . . 95 LYS CB . 15148 1 349 . 1 1 96 96 ARG H H 1 8.394 0.090 . 1 . . . . 96 ARG H . 15148 1 350 . 1 1 96 96 ARG N N 15 123.386 0.100 . 1 . . . . 96 ARG N . 15148 1 351 . 1 1 96 96 ARG CA C 13 55.932 0.200 . 1 . . . . 96 ARG CA . 15148 1 352 . 1 1 99 99 SER H H 1 7.841 0.090 . 1 . . . . 99 SER H . 15148 1 353 . 1 1 99 99 SER N N 15 114.247 0.100 . 1 . . . . 99 SER N . 15148 1 354 . 1 1 99 99 SER CA C 13 53.876 0.200 . 1 . . . . 99 SER CA . 15148 1 355 . 1 1 99 99 SER CB C 13 63.311 0.200 . 1 . . . . 99 SER CB . 15148 1 356 . 1 1 100 100 ALA H H 1 9.037 0.090 . 1 . . . . 100 ALA H . 15148 1 357 . 1 1 100 100 ALA N N 15 122.276 0.100 . 1 . . . . 100 ALA N . 15148 1 358 . 1 1 100 100 ALA CA C 13 53.599 0.200 . 1 . . . . 100 ALA CA . 15148 1 359 . 1 1 100 100 ALA CB C 13 15.967 0.200 . 1 . . . . 100 ALA CB . 15148 1 360 . 1 1 101 101 PHE H H 1 8.416 0.090 . 1 . . . . 101 PHE H . 15148 1 361 . 1 1 101 101 PHE N N 15 115.639 0.100 . 1 . . . . 101 PHE N . 15148 1 362 . 1 1 101 101 PHE CA C 13 56.433 0.200 . 1 . . . . 101 PHE CA . 15148 1 363 . 1 1 101 101 PHE CB C 13 36.205 0.200 . 1 . . . . 101 PHE CB . 15148 1 364 . 1 1 102 102 PHE H H 1 8.177 0.090 . 1 . . . . 102 PHE H . 15148 1 365 . 1 1 102 102 PHE N N 15 122.436 0.100 . 1 . . . . 102 PHE N . 15148 1 366 . 1 1 102 102 PHE CA C 13 59.477 0.200 . 1 . . . . 102 PHE CA . 15148 1 367 . 1 1 102 102 PHE CB C 13 36.059 0.200 . 1 . . . . 102 PHE CB . 15148 1 368 . 1 1 103 103 LEU H H 1 8.252 0.090 . 1 . . . . 103 LEU H . 15148 1 369 . 1 1 103 103 LEU N N 15 120.509 0.100 . 1 . . . . 103 LEU N . 15148 1 370 . 1 1 103 103 LEU CA C 13 55.629 0.200 . 1 . . . . 103 LEU CA . 15148 1 371 . 1 1 103 103 LEU CB C 13 39.493 0.200 . 1 . . . . 103 LEU CB . 15148 1 372 . 1 1 104 104 PHE H H 1 8.144 0.090 . 1 . . . . 104 PHE H . 15148 1 373 . 1 1 104 104 PHE N N 15 123.548 0.100 . 1 . . . . 104 PHE N . 15148 1 374 . 1 1 104 104 PHE CA C 13 59.034 0.200 . 1 . . . . 104 PHE CA . 15148 1 375 . 1 1 104 104 PHE CB C 13 36.644 0.200 . 1 . . . . 104 PHE CB . 15148 1 376 . 1 1 105 105 CYS H H 1 8.491 0.090 . 1 . . . . 105 CYS H . 15148 1 377 . 1 1 105 105 CYS N N 15 117.887 0.100 . 1 . . . . 105 CYS N . 15148 1 378 . 1 1 105 105 CYS CA C 13 61.485 0.200 . 1 . . . . 105 CYS CA . 15148 1 379 . 1 1 105 105 CYS CB C 13 23.931 0.200 . 1 . . . . 105 CYS CB . 15148 1 380 . 1 1 106 106 SER H H 1 8.113 0.090 . 1 . . . . 106 SER H . 15148 1 381 . 1 1 106 106 SER N N 15 114.595 0.100 . 1 . . . . 106 SER N . 15148 1 382 . 1 1 106 106 SER CA C 13 58.925 0.200 . 1 . . . . 106 SER CA . 15148 1 383 . 1 1 106 106 SER CB C 13 59.731 0.200 . 1 . . . . 106 SER CB . 15148 1 384 . 1 1 107 107 GLU H H 1 7.114 0.090 . 1 . . . . 107 GLU H . 15148 1 385 . 1 1 107 107 GLU N N 15 118.663 0.100 . 1 . . . . 107 GLU N . 15148 1 386 . 1 1 107 107 GLU CA C 13 55.501 0.200 . 1 . . . . 107 GLU CA . 15148 1 387 . 1 1 107 107 GLU CB C 13 27.145 0.200 . 1 . . . . 107 GLU CB . 15148 1 388 . 1 1 108 108 TYR H H 1 7.900 0.090 . 1 . . . . 108 TYR H . 15148 1 389 . 1 1 108 108 TYR N N 15 114.060 0.100 . 1 . . . . 108 TYR N . 15148 1 390 . 1 1 108 108 TYR CA C 13 59.319 0.200 . 1 . . . . 108 TYR CA . 15148 1 391 . 1 1 108 108 TYR CB C 13 36.863 0.200 . 1 . . . . 108 TYR CB . 15148 1 392 . 1 1 109 109 ARG H H 1 9.229 0.090 . 1 . . . . 109 ARG H . 15148 1 393 . 1 1 109 109 ARG N N 15 123.212 0.100 . 1 . . . . 109 ARG N . 15148 1 394 . 1 1 109 109 ARG CA C 13 59.924 0.200 . 1 . . . . 109 ARG CA . 15148 1 395 . 1 1 111 111 LYS H H 1 6.765 0.090 . 1 . . . . 111 LYS H . 15148 1 396 . 1 1 111 111 LYS N N 15 117.271 0.100 . 1 . . . . 111 LYS N . 15148 1 397 . 1 1 111 111 LYS CA C 13 56.476 0.200 . 1 . . . . 111 LYS CA . 15148 1 398 . 1 1 111 111 LYS CB C 13 29.849 0.200 . 1 . . . . 111 LYS CB . 15148 1 399 . 1 1 112 112 ILE H H 1 8.161 0.090 . 1 . . . . 112 ILE H . 15148 1 400 . 1 1 112 112 ILE N N 15 119.104 0.100 . 1 . . . . 112 ILE N . 15148 1 401 . 1 1 112 112 ILE CA C 13 61.483 0.200 . 1 . . . . 112 ILE CA . 15148 1 402 . 1 1 112 112 ILE CB C 13 35.182 0.200 . 1 . . . . 112 ILE CB . 15148 1 403 . 1 1 113 113 LYS H H 1 8.191 0.090 . 1 . . . . 113 LYS H . 15148 1 404 . 1 1 113 113 LYS N N 15 118.315 0.100 . 1 . . . . 113 LYS N . 15148 1 405 . 1 1 113 113 LYS CA C 13 56.335 0.200 . 1 . . . . 113 LYS CA . 15148 1 406 . 1 1 113 113 LYS CB C 13 29.203 0.200 . 1 . . . . 113 LYS CB . 15148 1 407 . 1 1 114 114 GLY H H 1 7.677 0.090 . 1 . . . . 114 GLY H . 15148 1 408 . 1 1 114 114 GLY N N 15 103.810 0.100 . 1 . . . . 114 GLY N . 15148 1 409 . 1 1 114 114 GLY CA C 13 43.770 0.200 . 1 . . . . 114 GLY CA . 15148 1 410 . 1 1 115 115 GLU H H 1 7.481 0.090 . 1 . . . . 115 GLU H . 15148 1 411 . 1 1 115 115 GLU N N 15 118.074 0.100 . 1 . . . . 115 GLU N . 15148 1 412 . 1 1 115 115 GLU CA C 13 54.900 0.200 . 1 . . . . 115 GLU CA . 15148 1 413 . 1 1 115 115 GLU CB C 13 28.168 0.200 . 1 . . . . 115 GLU CB . 15148 1 414 . 1 1 116 116 HIS H H 1 7.847 0.090 . 1 . . . . 116 HIS H . 15148 1 415 . 1 1 116 116 HIS N N 15 114.836 0.100 . 1 . . . . 116 HIS N . 15148 1 416 . 1 1 116 116 HIS CA C 13 50.103 0.200 . 1 . . . . 116 HIS CA . 15148 1 417 . 1 1 116 116 HIS CB C 13 26.451 0.200 . 1 . . . . 116 HIS CB . 15148 1 418 . 1 1 117 117 PRO CB C 13 29.259 0.200 . 1 . . . . 117 PRO CB . 15148 1 419 . 1 1 118 118 GLY H H 1 8.767 0.090 . 1 . . . . 118 GLY H . 15148 1 420 . 1 1 118 118 GLY N N 15 107.637 0.100 . 1 . . . . 118 GLY N . 15148 1 421 . 1 1 118 118 GLY CA C 13 42.762 0.200 . 1 . . . . 118 GLY CA . 15148 1 422 . 1 1 119 119 LEU H H 1 7.402 0.090 . 1 . . . . 119 LEU H . 15148 1 423 . 1 1 119 119 LEU N N 15 120.643 0.100 . 1 . . . . 119 LEU N . 15148 1 424 . 1 1 119 119 LEU CA C 13 52.532 0.200 . 1 . . . . 119 LEU CA . 15148 1 425 . 1 1 119 119 LEU CB C 13 40.565 0.200 . 1 . . . . 119 LEU CB . 15148 1 426 . 1 1 120 120 SER H H 1 9.299 0.090 . 1 . . . . 120 SER H . 15148 1 427 . 1 1 120 120 SER N N 15 120.563 0.100 . 1 . . . . 120 SER N . 15148 1 428 . 1 1 120 120 SER CA C 13 54.735 0.200 . 1 . . . . 120 SER CA . 15148 1 429 . 1 1 120 120 SER CB C 13 62.443 0.200 . 1 . . . . 120 SER CB . 15148 1 430 . 1 1 121 121 ILE H H 1 8.719 0.090 . 1 . . . . 121 ILE H . 15148 1 431 . 1 1 121 121 ILE N N 15 120.161 0.100 . 1 . . . . 121 ILE N . 15148 1 432 . 1 1 121 121 ILE CA C 13 62.402 0.200 . 1 . . . . 121 ILE CA . 15148 1 433 . 1 1 121 121 ILE CB C 13 35.548 0.200 . 1 . . . . 121 ILE CB . 15148 1 434 . 1 1 122 122 GLY H H 1 8.691 0.090 . 1 . . . . 122 GLY H . 15148 1 435 . 1 1 122 122 GLY N N 15 108.948 0.100 . 1 . . . . 122 GLY N . 15148 1 436 . 1 1 122 122 GLY CA C 13 44.162 0.200 . 1 . . . . 122 GLY CA . 15148 1 437 . 1 1 123 123 ASP H H 1 7.975 0.090 . 1 . . . . 123 ASP H . 15148 1 438 . 1 1 123 123 ASP N N 15 123.838 0.100 . 1 . . . . 123 ASP N . 15148 1 439 . 1 1 123 123 ASP CA C 13 54.700 0.200 . 1 . . . . 123 ASP CA . 15148 1 440 . 1 1 123 123 ASP CB C 13 38.105 0.200 . 1 . . . . 123 ASP CB . 15148 1 441 . 1 1 124 124 VAL H H 1 8.586 0.090 . 1 . . . . 124 VAL H . 15148 1 442 . 1 1 124 124 VAL N N 15 123.132 0.100 . 1 . . . . 124 VAL N . 15148 1 443 . 1 1 124 124 VAL CA C 13 64.870 0.200 . 1 . . . . 124 VAL CA . 15148 1 444 . 1 1 124 124 VAL CB C 13 28.992 0.200 . 1 . . . . 124 VAL CB . 15148 1 445 . 1 1 125 125 ALA H H 1 7.910 0.090 . 1 . . . . 125 ALA H . 15148 1 446 . 1 1 125 125 ALA N N 15 120.750 0.100 . 1 . . . . 125 ALA N . 15148 1 447 . 1 1 125 125 ALA CA C 13 53.185 0.200 . 1 . . . . 125 ALA CA . 15148 1 448 . 1 1 125 125 ALA CB C 13 15.229 0.200 . 1 . . . . 125 ALA CB . 15148 1 449 . 1 1 126 126 LYS H H 1 8.043 0.090 . 1 . . . . 126 LYS H . 15148 1 450 . 1 1 126 126 LYS N N 15 119.278 0.100 . 1 . . . . 126 LYS N . 15148 1 451 . 1 1 126 126 LYS CA C 13 57.034 0.200 . 1 . . . . 126 LYS CA . 15148 1 452 . 1 1 126 126 LYS CB C 13 29.928 0.200 . 1 . . . . 126 LYS CB . 15148 1 453 . 1 1 127 127 LYS H H 1 8.034 0.090 . 1 . . . . 127 LYS H . 15148 1 454 . 1 1 127 127 LYS N N 15 120.775 0.100 . 1 . . . . 127 LYS N . 15148 1 455 . 1 1 127 127 LYS CA C 13 56.224 0.200 . 1 . . . . 127 LYS CA . 15148 1 456 . 1 1 127 127 LYS CB C 13 29.126 0.200 . 1 . . . . 127 LYS CB . 15148 1 457 . 1 1 128 128 LEU H H 1 8.639 0.090 . 1 . . . . 128 LEU H . 15148 1 458 . 1 1 128 128 LEU N N 15 119.653 0.100 . 1 . . . . 128 LEU N . 15148 1 459 . 1 1 128 128 LEU CA C 13 56.000 0.200 . 1 . . . . 128 LEU CA . 15148 1 460 . 1 1 128 128 LEU CB C 13 39.201 0.200 . 1 . . . . 128 LEU CB . 15148 1 461 . 1 1 129 129 GLY H H 1 8.195 0.090 . 1 . . . . 129 GLY H . 15148 1 462 . 1 1 129 129 GLY N N 15 105.335 0.100 . 1 . . . . 129 GLY N . 15148 1 463 . 1 1 129 129 GLY CA C 13 45.196 0.200 . 1 . . . . 129 GLY CA . 15148 1 464 . 1 1 130 130 GLU H H 1 8.043 0.090 . 1 . . . . 130 GLU H . 15148 1 465 . 1 1 130 130 GLU N N 15 122.733 0.100 . 1 . . . . 130 GLU N . 15148 1 466 . 1 1 130 130 GLU CA C 13 56.788 0.200 . 1 . . . . 130 GLU CA . 15148 1 467 . 1 1 130 130 GLU CB C 13 27.072 0.200 . 1 . . . . 130 GLU CB . 15148 1 468 . 1 1 131 131 MET H H 1 8.798 0.090 . 1 . . . . 131 MET H . 15148 1 469 . 1 1 131 131 MET N N 15 118.368 0.100 . 1 . . . . 131 MET N . 15148 1 470 . 1 1 131 131 MET CA C 13 56.767 0.200 . 1 . . . . 131 MET CA . 15148 1 471 . 1 1 131 131 MET CB C 13 31.383 0.200 . 1 . . . . 131 MET CB . 15148 1 472 . 1 1 132 132 TRP H H 1 8.685 0.090 . 1 . . . . 132 TRP H . 15148 1 473 . 1 1 132 132 TRP N N 15 122.088 0.100 . 1 . . . . 132 TRP N . 15148 1 474 . 1 1 132 132 TRP CA C 13 57.034 0.200 . 1 . . . . 132 TRP CA . 15148 1 475 . 1 1 132 132 TRP CB C 13 27.949 0.200 . 1 . . . . 132 TRP CB . 15148 1 476 . 1 1 133 133 ASN H H 1 8.137 0.090 . 1 . . . . 133 ASN H . 15148 1 477 . 1 1 133 133 ASN N N 15 116.709 0.100 . 1 . . . . 133 ASN N . 15148 1 478 . 1 1 133 133 ASN CA C 13 52.968 0.200 . 1 . . . . 133 ASN CA . 15148 1 479 . 1 1 133 133 ASN CB C 13 35.401 0.200 . 1 . . . . 133 ASN CB . 15148 1 480 . 1 1 134 134 ASN H H 1 7.570 0.090 . 1 . . . . 134 ASN H . 15148 1 481 . 1 1 134 134 ASN N N 15 115.318 0.100 . 1 . . . . 134 ASN N . 15148 1 482 . 1 1 134 134 ASN CA C 13 50.542 0.200 . 1 . . . . 134 ASN CA . 15148 1 483 . 1 1 134 134 ASN CB C 13 36.644 0.200 . 1 . . . . 134 ASN CB . 15148 1 484 . 1 1 135 135 THR H H 1 7.273 0.090 . 1 . . . . 135 THR H . 15148 1 485 . 1 1 135 135 THR N N 15 119.359 0.100 . 1 . . . . 135 THR N . 15148 1 486 . 1 1 135 135 THR CA C 13 61.302 0.200 . 1 . . . . 135 THR CA . 15148 1 487 . 1 1 135 135 THR CB C 13 66.254 0.200 . 1 . . . . 135 THR CB . 15148 1 488 . 1 1 136 136 ALA H H 1 9.216 0.090 . 1 . . . . 136 ALA H . 15148 1 489 . 1 1 136 136 ALA N N 15 130.889 0.100 . 1 . . . . 136 ALA N . 15148 1 490 . 1 1 136 136 ALA CA C 13 49.598 0.200 . 1 . . . . 136 ALA CA . 15148 1 491 . 1 1 136 136 ALA CB C 13 16.488 0.200 . 1 . . . . 136 ALA CB . 15148 1 492 . 1 1 137 137 ALA H H 1 8.831 0.090 . 1 . . . . 137 ALA H . 15148 1 493 . 1 1 137 137 ALA N N 15 124.443 0.100 . 1 . . . . 137 ALA N . 15148 1 494 . 1 1 137 137 ALA CA C 13 53.860 0.200 . 1 . . . . 137 ALA CA . 15148 1 495 . 1 1 137 137 ALA CB C 13 15.652 0.200 . 1 . . . . 137 ALA CB . 15148 1 496 . 1 1 138 138 ASP H H 1 8.966 0.090 . 1 . . . . 138 ASP H . 15148 1 497 . 1 1 138 138 ASP N N 15 115.157 0.100 . 1 . . . . 138 ASP N . 15148 1 498 . 1 1 138 138 ASP CA C 13 54.700 0.200 . 1 . . . . 138 ASP CA . 15148 1 499 . 1 1 138 138 ASP CB C 13 37.319 0.200 . 1 . . . . 138 ASP CB . 15148 1 500 . 1 1 139 139 ASP H H 1 7.321 0.090 . 1 . . . . 139 ASP H . 15148 1 501 . 1 1 139 139 ASP N N 15 117.405 0.100 . 1 . . . . 139 ASP N . 15148 1 502 . 1 1 139 139 ASP CA C 13 53.166 0.200 . 1 . . . . 139 ASP CA . 15148 1 503 . 1 1 139 139 ASP CB C 13 38.942 0.200 . 1 . . . . 139 ASP CB . 15148 1 504 . 1 1 140 140 LYS H H 1 7.789 0.090 . 1 . . . . 140 LYS H . 15148 1 505 . 1 1 140 140 LYS N N 15 118.556 0.100 . 1 . . . . 140 LYS N . 15148 1 506 . 1 1 140 140 LYS CA C 13 56.634 0.200 . 1 . . . . 140 LYS CA . 15148 1 507 . 1 1 140 140 LYS CB C 13 31.237 0.200 . 1 . . . . 140 LYS CB . 15148 1 508 . 1 1 141 141 GLN H H 1 7.413 0.090 . 1 . . . . 141 GLN H . 15148 1 509 . 1 1 141 141 GLN N N 15 117.699 0.100 . 1 . . . . 141 GLN N . 15148 1 510 . 1 1 141 141 GLN CA C 13 58.267 0.200 . 1 . . . . 141 GLN CA . 15148 1 511 . 1 1 141 141 GLN CB C 13 24.442 0.200 . 1 . . . . 141 GLN CB . 15148 1 512 . 1 1 143 143 TYR H H 1 7.195 0.090 . 1 . . . . 143 TYR H . 15148 1 513 . 1 1 143 143 TYR N N 15 115.103 0.100 . 1 . . . . 143 TYR N . 15148 1 514 . 1 1 143 143 TYR CA C 13 58.996 0.200 . 1 . . . . 143 TYR CA . 15148 1 515 . 1 1 143 143 TYR CB C 13 35.837 0.200 . 1 . . . . 143 TYR CB . 15148 1 516 . 1 1 144 144 GLU H H 1 8.139 0.090 . 1 . . . . 144 GLU H . 15148 1 517 . 1 1 144 144 GLU N N 15 119.104 0.100 . 1 . . . . 144 GLU N . 15148 1 518 . 1 1 144 144 GLU CA C 13 56.962 0.200 . 1 . . . . 144 GLU CA . 15148 1 519 . 1 1 144 144 GLU CB C 13 26.852 0.200 . 1 . . . . 144 GLU CB . 15148 1 520 . 1 1 145 145 LYS H H 1 9.176 0.090 . 1 . . . . 145 LYS H . 15148 1 521 . 1 1 145 145 LYS N N 15 120.603 0.100 . 1 . . . . 145 LYS N . 15148 1 522 . 1 1 145 145 LYS CA C 13 56.896 0.200 . 1 . . . . 145 LYS CA . 15148 1 523 . 1 1 145 145 LYS CB C 13 29.908 0.200 . 1 . . . . 145 LYS CB . 15148 1 524 . 1 1 146 146 LYS H H 1 7.687 0.090 . 1 . . . . 146 LYS H . 15148 1 525 . 1 1 146 146 LYS N N 15 120.028 0.100 . 1 . . . . 146 LYS N . 15148 1 526 . 1 1 146 146 LYS CA C 13 56.406 0.200 . 1 . . . . 146 LYS CA . 15148 1 527 . 1 1 146 146 LYS CB C 13 29.767 0.200 . 1 . . . . 146 LYS CB . 15148 1 528 . 1 1 147 147 ALA H H 1 8.348 0.090 . 1 . . . . 147 ALA H . 15148 1 529 . 1 1 147 147 ALA N N 15 120.389 0.100 . 1 . . . . 147 ALA N . 15148 1 530 . 1 1 147 147 ALA CA C 13 53.677 0.200 . 1 . . . . 147 ALA CA . 15148 1 531 . 1 1 148 148 ALA H H 1 8.361 0.090 . 1 . . . . 148 ALA H . 15148 1 532 . 1 1 148 148 ALA N N 15 121.580 0.100 . 1 . . . . 148 ALA N . 15148 1 533 . 1 1 148 148 ALA CA C 13 52.932 0.200 . 1 . . . . 148 ALA CA . 15148 1 534 . 1 1 148 148 ALA CB C 13 15.229 0.200 . 1 . . . . 148 ALA CB . 15148 1 535 . 1 1 149 149 LYS H H 1 7.969 0.090 . 1 . . . . 149 LYS H . 15148 1 536 . 1 1 149 149 LYS N N 15 120.295 0.100 . 1 . . . . 149 LYS N . 15148 1 537 . 1 1 149 149 LYS CA C 13 56.467 0.200 . 1 . . . . 149 LYS CA . 15148 1 538 . 1 1 149 149 LYS CB C 13 29.191 0.200 . 1 . . . . 149 LYS CB . 15148 1 539 . 1 1 150 150 LEU H H 1 8.273 0.090 . 1 . . . . 150 LEU H . 15148 1 540 . 1 1 150 150 LEU N N 15 119.599 0.100 . 1 . . . . 150 LEU N . 15148 1 541 . 1 1 150 150 LEU CA C 13 55.257 0.200 . 1 . . . . 150 LEU CA . 15148 1 542 . 1 1 150 150 LEU CB C 13 38.689 0.200 . 1 . . . . 150 LEU CB . 15148 1 543 . 1 1 151 151 LYS H H 1 8.420 0.090 . 1 . . . . 151 LYS H . 15148 1 544 . 1 1 151 151 LYS N N 15 123.150 0.100 . 1 . . . . 151 LYS N . 15148 1 545 . 1 1 151 151 LYS CA C 13 57.586 0.200 . 1 . . . . 151 LYS CA . 15148 1 546 . 1 1 151 151 LYS CB C 13 29.483 0.200 . 1 . . . . 151 LYS CB . 15148 1 547 . 1 1 152 152 GLU H H 1 8.051 0.090 . 1 . . . . 152 GLU H . 15148 1 548 . 1 1 152 152 GLU N N 15 119.533 0.100 . 1 . . . . 152 GLU N . 15148 1 549 . 1 1 152 152 GLU CA C 13 56.332 0.200 . 1 . . . . 152 GLU CA . 15148 1 550 . 1 1 152 152 GLU CB C 13 26.986 0.200 . 1 . . . . 152 GLU CB . 15148 1 551 . 1 1 153 153 LYS H H 1 7.750 0.090 . 1 . . . . 153 LYS H . 15148 1 552 . 1 1 153 153 LYS N N 15 119.252 0.100 . 1 . . . . 153 LYS N . 15148 1 553 . 1 1 153 153 LYS CA C 13 56.767 0.200 . 1 . . . . 153 LYS CA . 15148 1 554 . 1 1 153 153 LYS CB C 13 29.861 0.200 . 1 . . . . 153 LYS CB . 15148 1 555 . 1 1 154 154 TYR H H 1 8.101 0.090 . 1 . . . . 154 TYR H . 15148 1 556 . 1 1 154 154 TYR N N 15 119.961 0.100 . 1 . . . . 154 TYR N . 15148 1 557 . 1 1 154 154 TYR CA C 13 58.721 0.200 . 1 . . . . 154 TYR CA . 15148 1 558 . 1 1 154 154 TYR CB C 13 35.767 0.200 . 1 . . . . 154 TYR CB . 15148 1 559 . 1 1 155 155 GLU H H 1 8.497 0.090 . 1 . . . . 155 GLU H . 15148 1 560 . 1 1 155 155 GLU N N 15 117.068 0.100 . 1 . . . . 155 GLU N . 15148 1 561 . 1 1 155 155 GLU CA C 13 56.863 0.200 . 1 . . . . 155 GLU CA . 15148 1 562 . 1 1 155 155 GLU CB C 13 26.196 0.200 . 1 . . . . 155 GLU CB . 15148 1 563 . 1 1 156 156 LYS H H 1 7.668 0.090 . 1 . . . . 156 LYS H . 15148 1 564 . 1 1 156 156 LYS N N 15 120.026 0.100 . 1 . . . . 156 LYS N . 15148 1 565 . 1 1 156 156 LYS CA C 13 56.741 0.200 . 1 . . . . 156 LYS CA . 15148 1 566 . 1 1 156 156 LYS CB C 13 29.861 0.200 . 1 . . . . 156 LYS CB . 15148 1 567 . 1 1 157 157 ASP H H 1 8.862 0.090 . 1 . . . . 157 ASP H . 15148 1 568 . 1 1 157 157 ASP N N 15 122.971 0.100 . 1 . . . . 157 ASP N . 15148 1 569 . 1 1 157 157 ASP CA C 13 54.617 0.200 . 1 . . . . 157 ASP CA . 15148 1 570 . 1 1 158 158 ILE H H 1 9.156 0.090 . 1 . . . . 158 ILE H . 15148 1 571 . 1 1 158 158 ILE N N 15 121.981 0.100 . 1 . . . . 158 ILE N . 15148 1 572 . 1 1 158 158 ILE CA C 13 59.585 0.200 . 1 . . . . 158 ILE CA . 15148 1 573 . 1 1 158 158 ILE CB C 13 34.306 0.200 . 1 . . . . 158 ILE CB . 15148 1 574 . 1 1 159 159 ALA H H 1 7.342 0.090 . 1 . . . . 159 ALA H . 15148 1 575 . 1 1 159 159 ALA N N 15 124.336 0.100 . 1 . . . . 159 ALA N . 15148 1 576 . 1 1 159 159 ALA CA C 13 52.499 0.200 . 1 . . . . 159 ALA CA . 15148 1 577 . 1 1 159 159 ALA CB C 13 15.299 0.200 . 1 . . . . 159 ALA CB . 15148 1 578 . 1 1 160 160 ALA H H 1 7.759 0.090 . 1 . . . . 160 ALA H . 15148 1 579 . 1 1 160 160 ALA N N 15 119.867 0.100 . 1 . . . . 160 ALA N . 15148 1 580 . 1 1 160 160 ALA CA C 13 51.965 0.200 . 1 . . . . 160 ALA CA . 15148 1 581 . 1 1 160 160 ALA CB C 13 15.511 0.200 . 1 . . . . 160 ALA CB . 15148 1 582 . 1 1 161 161 TYR H H 1 8.148 0.090 . 1 . . . . 161 TYR H . 15148 1 583 . 1 1 161 161 TYR N N 15 119.743 0.100 . 1 . . . . 161 TYR N . 15148 1 584 . 1 1 161 161 TYR CA C 13 58.319 0.200 . 1 . . . . 161 TYR CA . 15148 1 585 . 1 1 161 161 TYR CB C 13 36.280 0.200 . 1 . . . . 161 TYR CB . 15148 1 586 . 1 1 162 162 ARG H H 1 8.280 0.090 . 1 . . . . 162 ARG H . 15148 1 587 . 1 1 162 162 ARG N N 15 118.636 0.100 . 1 . . . . 162 ARG N . 15148 1 588 . 1 1 162 162 ARG CA C 13 55.322 0.200 . 1 . . . . 162 ARG CA . 15148 1 589 . 1 1 162 162 ARG CB C 13 27.862 0.200 . 1 . . . . 162 ARG CB . 15148 1 590 . 1 1 163 163 ALA H H 1 7.613 0.090 . 1 . . . . 163 ALA H . 15148 1 591 . 1 1 163 163 ALA N N 15 121.018 0.100 . 1 . . . . 163 ALA N . 15148 1 592 . 1 1 163 163 ALA CA C 13 50.773 0.200 . 1 . . . . 163 ALA CA . 15148 1 593 . 1 1 163 163 ALA CB C 13 16.005 0.200 . 1 . . . . 163 ALA CB . 15148 1 594 . 1 1 164 164 LYS H H 1 7.655 0.090 . 1 . . . . 164 LYS H . 15148 1 595 . 1 1 164 164 LYS N N 15 118.181 0.100 . 1 . . . . 164 LYS N . 15148 1 596 . 1 1 164 164 LYS CA C 13 54.599 0.200 . 1 . . . . 164 LYS CA . 15148 1 597 . 1 1 164 164 LYS CB C 13 29.995 0.200 . 1 . . . . 164 LYS CB . 15148 1 598 . 1 1 165 165 GLY H H 1 8.096 0.090 . 1 . . . . 165 GLY H . 15148 1 599 . 1 1 165 165 GLY N N 15 108.306 0.100 . 1 . . . . 165 GLY N . 15148 1 600 . 1 1 165 165 GLY CA C 13 42.597 0.200 . 1 . . . . 165 GLY CA . 15148 1 601 . 1 1 166 166 LYS H H 1 8.029 0.090 . 1 . . . . 166 LYS H . 15148 1 602 . 1 1 166 166 LYS N N 15 121.339 0.100 . 1 . . . . 166 LYS N . 15148 1 603 . 1 1 166 166 LYS CA C 13 51.781 0.200 . 1 . . . . 166 LYS CA . 15148 1 604 . 1 1 166 166 LYS CB C 13 29.849 0.200 . 1 . . . . 166 LYS CB . 15148 1 605 . 1 1 167 167 PRO CA C 13 60.754 0.200 . 1 . . . . 167 PRO CA . 15148 1 606 . 1 1 167 167 PRO CB C 13 29.393 0.200 . 1 . . . . 167 PRO CB . 15148 1 607 . 1 1 168 168 ASP H H 1 8.465 0.090 . 1 . . . . 168 ASP H . 15148 1 608 . 1 1 168 168 ASP N N 15 120.188 0.100 . 1 . . . . 168 ASP N . 15148 1 609 . 1 1 168 168 ASP CA C 13 51.845 0.200 . 1 . . . . 168 ASP CA . 15148 1 610 . 1 1 168 168 ASP CB C 13 38.441 0.200 . 1 . . . . 168 ASP CB . 15148 1 611 . 1 1 169 169 ALA H H 1 8.254 0.090 . 1 . . . . 169 ALA H . 15148 1 612 . 1 1 169 169 ALA N N 15 124.524 0.100 . 1 . . . . 169 ALA N . 15148 1 613 . 1 1 169 169 ALA CA C 13 50.431 0.200 . 1 . . . . 169 ALA CA . 15148 1 614 . 1 1 169 169 ALA CB C 13 16.350 0.200 . 1 . . . . 169 ALA CB . 15148 1 615 . 1 1 170 170 ALA H H 1 8.235 0.090 . 1 . . . . 170 ALA H . 15148 1 616 . 1 1 170 170 ALA N N 15 121.954 0.100 . 1 . . . . 170 ALA N . 15148 1 617 . 1 1 170 170 ALA CA C 13 50.193 0.200 . 1 . . . . 170 ALA CA . 15148 1 618 . 1 1 170 170 ALA CB C 13 16.429 0.200 . 1 . . . . 170 ALA CB . 15148 1 619 . 1 1 171 171 LYS H H 1 8.125 0.090 . 1 . . . . 171 LYS H . 15148 1 620 . 1 1 171 171 LYS N N 15 119.947 0.100 . 1 . . . . 171 LYS N . 15148 1 621 . 1 1 171 171 LYS CA C 13 53.766 0.200 . 1 . . . . 171 LYS CA . 15148 1 622 . 1 1 171 171 LYS CB C 13 30.214 0.200 . 1 . . . . 171 LYS CB . 15148 1 623 . 1 1 172 172 LYS H H 1 8.421 0.090 . 1 . . . . 172 LYS H . 15148 1 624 . 1 1 172 172 LYS N N 15 123.774 0.100 . 1 . . . . 172 LYS N . 15148 1 625 . 1 1 172 172 LYS CA C 13 53.966 0.200 . 1 . . . . 172 LYS CA . 15148 1 626 . 1 1 172 172 LYS CB C 13 30.433 0.200 . 1 . . . . 172 LYS CB . 15148 1 627 . 1 1 173 173 GLY H H 1 8.432 0.090 . 1 . . . . 173 GLY H . 15148 1 628 . 1 1 173 173 GLY N N 15 109.831 0.100 . 1 . . . . 173 GLY N . 15148 1 629 . 1 1 173 173 GLY CA C 13 42.698 0.200 . 1 . . . . 173 GLY CA . 15148 1 630 . 1 1 174 174 VAL H H 1 8.008 0.090 . 1 . . . . 174 VAL H . 15148 1 631 . 1 1 174 174 VAL N N 15 119.626 0.100 . 1 . . . . 174 VAL N . 15148 1 632 . 1 1 174 174 VAL CA C 13 59.868 0.200 . 1 . . . . 174 VAL CA . 15148 1 633 . 1 1 174 174 VAL CB C 13 30.049 0.200 . 1 . . . . 174 VAL CB . 15148 1 634 . 1 1 175 175 VAL H H 1 8.326 0.090 . 1 . . . . 175 VAL H . 15148 1 635 . 1 1 175 175 VAL N N 15 125.059 0.100 . 1 . . . . 175 VAL N . 15148 1 636 . 1 1 175 175 VAL CA C 13 59.768 0.200 . 1 . . . . 175 VAL CA . 15148 1 637 . 1 1 175 175 VAL CB C 13 30.191 0.200 . 1 . . . . 175 VAL CB . 15148 1 638 . 1 1 176 176 LYS H H 1 8.477 0.090 . 1 . . . . 176 LYS H . 15148 1 639 . 1 1 176 176 LYS N N 15 126.210 0.100 . 1 . . . . 176 LYS N . 15148 1 640 . 1 1 176 176 LYS CA C 13 53.632 0.200 . 1 . . . . 176 LYS CA . 15148 1 641 . 1 1 176 176 LYS CB C 13 30.402 0.200 . 1 . . . . 176 LYS CB . 15148 1 642 . 1 1 177 177 ALA H H 1 8.399 0.090 . 1 . . . . 177 ALA H . 15148 1 643 . 1 1 177 177 ALA N N 15 125.888 0.100 . 1 . . . . 177 ALA N . 15148 1 644 . 1 1 177 177 ALA CA C 13 49.864 0.200 . 1 . . . . 177 ALA CA . 15148 1 645 . 1 1 177 177 ALA CB C 13 16.640 0.200 . 1 . . . . 177 ALA CB . 15148 1 646 . 1 1 178 178 GLU H H 1 8.458 0.090 . 1 . . . . 178 GLU H . 15148 1 647 . 1 1 178 178 GLU N N 15 120.817 0.100 . 1 . . . . 178 GLU N . 15148 1 648 . 1 1 178 178 GLU CA C 13 53.895 0.200 . 1 . . . . 178 GLU CA . 15148 1 649 . 1 1 178 178 GLU CB C 13 27.887 0.200 . 1 . . . . 178 GLU CB . 15148 1 650 . 1 1 179 179 LYS H H 1 8.456 0.090 . 1 . . . . 179 LYS H . 15148 1 651 . 1 1 179 179 LYS N N 15 122.530 0.100 . 1 . . . . 179 LYS N . 15148 1 652 . 1 1 179 179 LYS CA C 13 53.909 0.200 . 1 . . . . 179 LYS CA . 15148 1 653 . 1 1 179 179 LYS CB C 13 30.262 0.200 . 1 . . . . 179 LYS CB . 15148 1 654 . 1 1 180 180 SER H H 1 8.341 0.090 . 1 . . . . 180 SER H . 15148 1 655 . 1 1 180 180 SER N N 15 116.468 0.100 . 1 . . . . 180 SER N . 15148 1 656 . 1 1 180 180 SER CA C 13 55.834 0.200 . 1 . . . . 180 SER CA . 15148 1 657 . 1 1 180 180 SER CB C 13 61.215 0.200 . 1 . . . . 180 SER CB . 15148 1 658 . 1 1 181 181 LYS H H 1 8.387 0.090 . 1 . . . . 181 LYS H . 15148 1 659 . 1 1 181 181 LYS N N 15 123.389 0.100 . 1 . . . . 181 LYS N . 15148 1 660 . 1 1 181 181 LYS CA C 13 53.590 0.200 . 1 . . . . 181 LYS CA . 15148 1 661 . 1 1 181 181 LYS CB C 13 30.096 0.200 . 1 . . . . 181 LYS CB . 15148 1 662 . 1 1 182 182 LYS H H 1 8.341 0.090 . 1 . . . . 182 LYS H . 15148 1 663 . 1 1 182 182 LYS N N 15 116.468 0.100 . 1 . . . . 182 LYS N . 15148 1 664 . 1 1 182 182 LYS CA C 13 53.730 0.200 . 1 . . . . 182 LYS CA . 15148 1 665 . 1 1 182 182 LYS CB C 13 30.166 0.200 . 1 . . . . 182 LYS CB . 15148 1 666 . 1 1 183 183 LYS H H 1 8.390 0.090 . 1 . . . . 183 LYS H . 15148 1 667 . 1 1 183 183 LYS N N 15 123.583 0.100 . 1 . . . . 183 LYS N . 15148 1 668 . 1 1 183 183 LYS CB C 13 31.983 0.200 . 1 . . . . 183 LYS CB . 15148 1 669 . 1 1 184 184 LYS H H 1 8.299 0.090 . 1 . . . . 184 LYS H . 15148 1 670 . 1 1 184 184 LYS N N 15 122.460 0.100 . 1 . . . . 184 LYS N . 15148 1 671 . 1 1 184 184 LYS CA C 13 51.977 0.200 . 1 . . . . 184 LYS CA . 15148 1 672 . 1 1 184 184 LYS CB C 13 30.166 0.200 . 1 . . . . 184 LYS CB . 15148 1 673 . 1 1 185 185 GLU H H 1 8.292 0.090 . 1 . . . . 185 GLU H . 15148 1 674 . 1 1 185 185 GLU N N 15 122.316 0.100 . 1 . . . . 185 GLU N . 15148 1 675 . 1 1 185 185 GLU CA C 13 53.730 0.200 . 1 . . . . 185 GLU CA . 15148 1 676 . 1 1 185 185 GLU CB C 13 30.376 0.200 . 1 . . . . 185 GLU CB . 15148 1 677 . 1 1 186 186 GLU H H 1 8.289 0.090 . 1 . . . . 186 GLU H . 15148 1 678 . 1 1 186 186 GLU N N 15 121.888 0.100 . 1 . . . . 186 GLU N . 15148 1 679 . 1 1 186 186 GLU CA C 13 53.923 0.200 . 1 . . . . 186 GLU CA . 15148 1 680 . 1 1 186 186 GLU CB C 13 30.287 0.200 . 1 . . . . 186 GLU CB . 15148 1 681 . 1 1 187 187 GLU H H 1 8.070 0.090 . 1 . . . . 187 GLU H . 15148 1 682 . 1 1 187 187 GLU N N 15 127.655 0.100 . 1 . . . . 187 GLU N . 15148 1 683 . 1 1 187 187 GLU CA C 13 55.403 0.200 . 1 . . . . 187 GLU CA . 15148 1 684 . 1 1 187 187 GLU CB C 13 28.298 0.200 . 1 . . . . 187 GLU CB . 15148 1 stop_ save_