data_5362 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5362 _Entry.Title ; 1H, 15N and 13C Backbone resonance assignments of the 40 kDa LicT-CAT-PRD1 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-05-03 _Entry.Accession_date 2002-05-03 _Entry.Last_release_date 2002-09-25 _Entry.Original_release_date 2002-09-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Thierry Ducat . . . 5362 2 Nathalie Declerck . . . 5362 3 Michel Kochoyan . . . 5362 4 Helene Demene . . . 5362 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5362 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 161 5362 '13C chemical shifts' 481 5362 '15N chemical shifts' 161 5362 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 . . 2002-09-25 2002-05-03 original author . 5362 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5362 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 15N and 13C Backbone resonance assignments of the 40 kDa LicT-CAT-PRD1 protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 23 _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 325 _Citation.Page_last 326 _Citation.Year 2002 _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 Thierry Ducat . . . 5362 1 2 Nathalie Declerck . . . 5362 1 3 Michel Kochoyan . . . 5362 1 4 Helene Demene . . . 5362 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID LicT 5362 1 'Resonance assignments' 5362 1 'Transcriptional antiterminator' 5362 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CAT-PRD1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CAT-PRD1 _Assembly.Entry_ID 5362 _Assembly.ID 1 _Assembly.Name 'CAT-PRD1 domain of the transcriptional antiterminator LicT protein from Bacillus subtilis' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 5362 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CAT-PRD1 subunit 1' 1 $CAT-PRD1 . . . native . . 1 . . 5362 1 2 'CAT-PRD1 subunit 2' 1 $CAT-PRD1 . . . native . . 1 . . 5362 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'CAT-PRD1 domain of the transcriptional antiterminator LicT protein from Bacillus subtilis' system 5362 1 CAT-PRD1 abbreviation 5362 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Transcriptional antiterminator' 5362 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CAT-PRD1 _Entity.Sf_category entity _Entity.Sf_framecode CAT-PRD1 _Entity.Entry_ID 5362 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'LicT CAT-PRD1' _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 ; MKIAKVINNNVISVVNEQGK ELVVMGRGLAFQKKSGDDVD EARIEKVFTLDNKDVSEKFK TLLYDIPIECMEVSEEIISY AKLQLGKKLNDSIYVSLTDH INFAIQRNQKGLDIKNALLW ETKRLYKDEFAIGKEALVMV KNKTGVSLPEDEAGFIALHI VNAELNELQHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 175 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 19925.9 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1H99 . "Prd Of Lict Antiterminator From Bacillus Subtilis" . . . . . 63.43 224 100.00 100.00 1.21e-71 . . . . 5362 1 2 no PDB 1TLV . "Structure Of The Native And Inactive Lict Prd From B. Subtilis" . . . . . 63.43 221 99.10 99.10 8.34e-70 . . . . 5362 1 3 no DBJ BAA11696 . "LicT antiterminator [Bacillus subtilis]" . . . . . 95.43 277 99.40 99.40 1.45e-112 . . . . 5362 1 4 no DBJ BAI87589 . "BglG family transcriptional antiterminator [Bacillus subtilis subsp. natto BEST195]" . . . . . 95.43 277 100.00 100.00 1.22e-113 . . . . 5362 1 5 no DBJ BAM55992 . "transcriptional antiterminator BglG family [Bacillus subtilis BEST7613]" . . . . . 95.43 277 100.00 100.00 1.22e-113 . . . . 5362 1 6 no DBJ BAM60004 . "transcriptional antiterminator BglG family [Bacillus subtilis BEST7003]" . . . . . 95.43 277 100.00 100.00 1.22e-113 . . . . 5362 1 7 no DBJ GAK81310 . "transcriptional antiterminator [Bacillus subtilis Miyagi-4]" . . . . . 95.43 277 100.00 100.00 1.22e-113 . . . . 5362 1 8 no EMBL CAA82194 . "antiterminator [Bacillus subtilis]" . . . . . 95.43 277 100.00 100.00 1.22e-113 . . . . 5362 1 9 no EMBL CAB15944 . "transcriptional antiterminator (BglG family) [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 95.43 277 100.00 100.00 1.22e-113 . . . . 5362 1 10 no EMBL CCF07176 . "Transcription antiterminator licT [Bacillus amyloliquefaciens subsp. plantarum CAU B946]" . . . . . 62.86 229 97.27 100.00 1.14e-69 . . . . 5362 1 11 no EMBL CCU57030 . "Beta-glucoside bgl operon antiterminator, BglG family [Bacillus subtilis E1]" . . . . . 95.43 277 100.00 100.00 1.13e-113 . . . . 5362 1 12 no EMBL CEI59719 . "transcription antiterminator LicT [Bacillus subtilis]" . . . . . 95.43 277 100.00 100.00 1.22e-113 . . . . 5362 1 13 no GB ADM39914 . "transcriptional antiterminator (BglG family) protein [Bacillus subtilis subsp. spizizenii str. W23]" . . . . . 95.43 277 97.60 98.80 6.12e-111 . . . . 5362 1 14 no GB ADV94733 . "transcriptional antiterminator (BglG family) protein [Bacillus subtilis BSn5]" . . . . . 95.43 277 100.00 100.00 1.22e-113 . . . . 5362 1 15 no GB AEP88876 . "transcription antiterminator LicT [Bacillus subtilis subsp. spizizenii TU-B-10]" . . . . . 95.43 277 97.60 98.80 7.20e-111 . . . . 5362 1 16 no GB AEP92976 . "transcription antiterminator LicT [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 95.43 277 100.00 100.00 1.22e-113 . . . . 5362 1 17 no GB AFI30559 . "transcriptional antiterminator BglG family [Bacillus sp. JS]" . . . . . 95.43 277 99.40 99.40 4.88e-113 . . . . 5362 1 18 no REF NP_391787 . "transcription antiterminator LicT [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 95.43 277 100.00 100.00 1.22e-113 . . . . 5362 1 19 no REF WP_003218864 . "transcription antiterminator LicT [Bacillus subtilis]" . . . . . 95.43 277 97.60 98.80 6.12e-111 . . . . 5362 1 20 no REF WP_003236231 . "transcription antiterminator LicT [Bacillus subtilis]" . . . . . 95.43 277 98.20 99.40 1.00e-111 . . . . 5362 1 21 no REF WP_003242598 . "MULTISPECIES: transcription antiterminator LicT [Bacillales]" . . . . . 95.43 277 100.00 100.00 1.22e-113 . . . . 5362 1 22 no REF WP_014115714 . "transcription antiterminator LicT [Bacillus subtilis]" . . . . . 95.43 277 97.60 98.80 7.20e-111 . . . . 5362 1 23 no SP P39805 . "RecName: Full=Transcription antiterminator LicT [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 95.43 277 100.00 100.00 1.22e-113 . . . . 5362 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'LicT CAT-PRD1' common 5362 1 CAT-PRD1 abbreviation 5362 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 . MET . 5362 1 2 . LYS . 5362 1 3 . ILE . 5362 1 4 . ALA . 5362 1 5 . LYS . 5362 1 6 . VAL . 5362 1 7 . ILE . 5362 1 8 . ASN . 5362 1 9 . ASN . 5362 1 10 . ASN . 5362 1 11 . VAL . 5362 1 12 . ILE . 5362 1 13 . SER . 5362 1 14 . VAL . 5362 1 15 . VAL . 5362 1 16 . ASN . 5362 1 17 . GLU . 5362 1 18 . GLN . 5362 1 19 . GLY . 5362 1 20 . LYS . 5362 1 21 . GLU . 5362 1 22 . LEU . 5362 1 23 . VAL . 5362 1 24 . VAL . 5362 1 25 . MET . 5362 1 26 . GLY . 5362 1 27 . ARG . 5362 1 28 . GLY . 5362 1 29 . LEU . 5362 1 30 . ALA . 5362 1 31 . PHE . 5362 1 32 . GLN . 5362 1 33 . LYS . 5362 1 34 . LYS . 5362 1 35 . SER . 5362 1 36 . GLY . 5362 1 37 . ASP . 5362 1 38 . ASP . 5362 1 39 . VAL . 5362 1 40 . ASP . 5362 1 41 . GLU . 5362 1 42 . ALA . 5362 1 43 . ARG . 5362 1 44 . ILE . 5362 1 45 . GLU . 5362 1 46 . LYS . 5362 1 47 . VAL . 5362 1 48 . PHE . 5362 1 49 . THR . 5362 1 50 . LEU . 5362 1 51 . ASP . 5362 1 52 . ASN . 5362 1 53 . LYS . 5362 1 54 . ASP . 5362 1 55 . VAL . 5362 1 56 . SER . 5362 1 57 . GLU . 5362 1 58 . LYS . 5362 1 59 . PHE . 5362 1 60 . LYS . 5362 1 61 . THR . 5362 1 62 . LEU . 5362 1 63 . LEU . 5362 1 64 . TYR . 5362 1 65 . ASP . 5362 1 66 . ILE . 5362 1 67 . PRO . 5362 1 68 . ILE . 5362 1 69 . GLU . 5362 1 70 . CYS . 5362 1 71 . MET . 5362 1 72 . GLU . 5362 1 73 . VAL . 5362 1 74 . SER . 5362 1 75 . GLU . 5362 1 76 . GLU . 5362 1 77 . ILE . 5362 1 78 . ILE . 5362 1 79 . SER . 5362 1 80 . TYR . 5362 1 81 . ALA . 5362 1 82 . LYS . 5362 1 83 . LEU . 5362 1 84 . GLN . 5362 1 85 . LEU . 5362 1 86 . GLY . 5362 1 87 . LYS . 5362 1 88 . LYS . 5362 1 89 . LEU . 5362 1 90 . ASN . 5362 1 91 . ASP . 5362 1 92 . SER . 5362 1 93 . ILE . 5362 1 94 . TYR . 5362 1 95 . VAL . 5362 1 96 . SER . 5362 1 97 . LEU . 5362 1 98 . THR . 5362 1 99 . ASP . 5362 1 100 . HIS . 5362 1 101 . ILE . 5362 1 102 . ASN . 5362 1 103 . PHE . 5362 1 104 . ALA . 5362 1 105 . ILE . 5362 1 106 . GLN . 5362 1 107 . ARG . 5362 1 108 . ASN . 5362 1 109 . GLN . 5362 1 110 . LYS . 5362 1 111 . GLY . 5362 1 112 . LEU . 5362 1 113 . ASP . 5362 1 114 . ILE . 5362 1 115 . LYS . 5362 1 116 . ASN . 5362 1 117 . ALA . 5362 1 118 . LEU . 5362 1 119 . LEU . 5362 1 120 . TRP . 5362 1 121 . GLU . 5362 1 122 . THR . 5362 1 123 . LYS . 5362 1 124 . ARG . 5362 1 125 . LEU . 5362 1 126 . TYR . 5362 1 127 . LYS . 5362 1 128 . ASP . 5362 1 129 . GLU . 5362 1 130 . PHE . 5362 1 131 . ALA . 5362 1 132 . ILE . 5362 1 133 . GLY . 5362 1 134 . LYS . 5362 1 135 . GLU . 5362 1 136 . ALA . 5362 1 137 . LEU . 5362 1 138 . VAL . 5362 1 139 . MET . 5362 1 140 . VAL . 5362 1 141 . LYS . 5362 1 142 . ASN . 5362 1 143 . LYS . 5362 1 144 . THR . 5362 1 145 . GLY . 5362 1 146 . VAL . 5362 1 147 . SER . 5362 1 148 . LEU . 5362 1 149 . PRO . 5362 1 150 . GLU . 5362 1 151 . ASP . 5362 1 152 . GLU . 5362 1 153 . ALA . 5362 1 154 . GLY . 5362 1 155 . PHE . 5362 1 156 . ILE . 5362 1 157 . ALA . 5362 1 158 . LEU . 5362 1 159 . HIS . 5362 1 160 . ILE . 5362 1 161 . VAL . 5362 1 162 . ASN . 5362 1 163 . ALA . 5362 1 164 . GLU . 5362 1 165 . LEU . 5362 1 166 . ASN . 5362 1 167 . GLU . 5362 1 168 . LEU . 5362 1 169 . GLN . 5362 1 170 . HIS . 5362 1 171 . HIS . 5362 1 172 . HIS . 5362 1 173 . HIS . 5362 1 174 . HIS . 5362 1 175 . HIS . 5362 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 . MET 1 1 5362 1 . LYS 2 2 5362 1 . ILE 3 3 5362 1 . ALA 4 4 5362 1 . LYS 5 5 5362 1 . VAL 6 6 5362 1 . ILE 7 7 5362 1 . ASN 8 8 5362 1 . ASN 9 9 5362 1 . ASN 10 10 5362 1 . VAL 11 11 5362 1 . ILE 12 12 5362 1 . SER 13 13 5362 1 . VAL 14 14 5362 1 . VAL 15 15 5362 1 . ASN 16 16 5362 1 . GLU 17 17 5362 1 . GLN 18 18 5362 1 . GLY 19 19 5362 1 . LYS 20 20 5362 1 . GLU 21 21 5362 1 . LEU 22 22 5362 1 . VAL 23 23 5362 1 . VAL 24 24 5362 1 . MET 25 25 5362 1 . GLY 26 26 5362 1 . ARG 27 27 5362 1 . GLY 28 28 5362 1 . LEU 29 29 5362 1 . ALA 30 30 5362 1 . PHE 31 31 5362 1 . GLN 32 32 5362 1 . LYS 33 33 5362 1 . LYS 34 34 5362 1 . SER 35 35 5362 1 . GLY 36 36 5362 1 . ASP 37 37 5362 1 . ASP 38 38 5362 1 . VAL 39 39 5362 1 . ASP 40 40 5362 1 . GLU 41 41 5362 1 . ALA 42 42 5362 1 . ARG 43 43 5362 1 . ILE 44 44 5362 1 . GLU 45 45 5362 1 . LYS 46 46 5362 1 . VAL 47 47 5362 1 . PHE 48 48 5362 1 . THR 49 49 5362 1 . LEU 50 50 5362 1 . ASP 51 51 5362 1 . ASN 52 52 5362 1 . LYS 53 53 5362 1 . ASP 54 54 5362 1 . VAL 55 55 5362 1 . SER 56 56 5362 1 . GLU 57 57 5362 1 . LYS 58 58 5362 1 . PHE 59 59 5362 1 . LYS 60 60 5362 1 . THR 61 61 5362 1 . LEU 62 62 5362 1 . LEU 63 63 5362 1 . TYR 64 64 5362 1 . ASP 65 65 5362 1 . ILE 66 66 5362 1 . PRO 67 67 5362 1 . ILE 68 68 5362 1 . GLU 69 69 5362 1 . CYS 70 70 5362 1 . MET 71 71 5362 1 . GLU 72 72 5362 1 . VAL 73 73 5362 1 . SER 74 74 5362 1 . GLU 75 75 5362 1 . GLU 76 76 5362 1 . ILE 77 77 5362 1 . ILE 78 78 5362 1 . SER 79 79 5362 1 . TYR 80 80 5362 1 . ALA 81 81 5362 1 . LYS 82 82 5362 1 . LEU 83 83 5362 1 . GLN 84 84 5362 1 . LEU 85 85 5362 1 . GLY 86 86 5362 1 . LYS 87 87 5362 1 . LYS 88 88 5362 1 . LEU 89 89 5362 1 . ASN 90 90 5362 1 . ASP 91 91 5362 1 . SER 92 92 5362 1 . ILE 93 93 5362 1 . TYR 94 94 5362 1 . VAL 95 95 5362 1 . SER 96 96 5362 1 . LEU 97 97 5362 1 . THR 98 98 5362 1 . ASP 99 99 5362 1 . HIS 100 100 5362 1 . ILE 101 101 5362 1 . ASN 102 102 5362 1 . PHE 103 103 5362 1 . ALA 104 104 5362 1 . ILE 105 105 5362 1 . GLN 106 106 5362 1 . ARG 107 107 5362 1 . ASN 108 108 5362 1 . GLN 109 109 5362 1 . LYS 110 110 5362 1 . GLY 111 111 5362 1 . LEU 112 112 5362 1 . ASP 113 113 5362 1 . ILE 114 114 5362 1 . LYS 115 115 5362 1 . ASN 116 116 5362 1 . ALA 117 117 5362 1 . LEU 118 118 5362 1 . LEU 119 119 5362 1 . TRP 120 120 5362 1 . GLU 121 121 5362 1 . THR 122 122 5362 1 . LYS 123 123 5362 1 . ARG 124 124 5362 1 . LEU 125 125 5362 1 . TYR 126 126 5362 1 . LYS 127 127 5362 1 . ASP 128 128 5362 1 . GLU 129 129 5362 1 . PHE 130 130 5362 1 . ALA 131 131 5362 1 . ILE 132 132 5362 1 . GLY 133 133 5362 1 . LYS 134 134 5362 1 . GLU 135 135 5362 1 . ALA 136 136 5362 1 . LEU 137 137 5362 1 . VAL 138 138 5362 1 . MET 139 139 5362 1 . VAL 140 140 5362 1 . LYS 141 141 5362 1 . ASN 142 142 5362 1 . LYS 143 143 5362 1 . THR 144 144 5362 1 . GLY 145 145 5362 1 . VAL 146 146 5362 1 . SER 147 147 5362 1 . LEU 148 148 5362 1 . PRO 149 149 5362 1 . GLU 150 150 5362 1 . ASP 151 151 5362 1 . GLU 152 152 5362 1 . ALA 153 153 5362 1 . GLY 154 154 5362 1 . PHE 155 155 5362 1 . ILE 156 156 5362 1 . ALA 157 157 5362 1 . LEU 158 158 5362 1 . HIS 159 159 5362 1 . ILE 160 160 5362 1 . VAL 161 161 5362 1 . ASN 162 162 5362 1 . ALA 163 163 5362 1 . GLU 164 164 5362 1 . LEU 165 165 5362 1 . ASN 166 166 5362 1 . GLU 167 167 5362 1 . LEU 168 168 5362 1 . GLN 169 169 5362 1 . HIS 170 170 5362 1 . HIS 171 171 5362 1 . HIS 172 172 5362 1 . HIS 173 173 5362 1 . HIS 174 174 5362 1 . HIS 175 175 5362 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 5362 _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 $CAT-PRD1 . 1423 . . 'Bacillus subtilis' 'B. subtilis' . . Eubacteria . Bacillus subtilis . . . . . . . . . . . . . . . . licT . . . . 5362 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 5362 _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 $CAT-PRD1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . 'pET15 derivative' . . . ; The 167 N-terminal residues of LicT protein were cloned into a pET15 derivative allowing expression of the LicT-CAT-PRD1 domain fused to a C-terminal His Tag (Leu-Glu-6xHis). The fusion protein was produced in E. coli BL21(DE3) ; . . 5362 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5362 _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 'LicT CAT-PRD1' '[U-15N; U-13C; U-2H]' . . 1 $CAT-PRD1 . . 1.0 . . mM . . . . 5362 1 2 'Na Phosphate Buffer' . . . . . . . 10 . . mM . . . . 5362 1 3 Na2SO4 . . . . . . . 50 . . mM . . . . 5362 1 4 DTT . . . . . . . 2 . . mM . . . . 5362 1 5 EDTA . . . . . . . 0.1 . . mM . . . . 5362 1 6 Benzmidine . . . . . . . 0.1 . . mM . . . . 5362 1 7 H2O . . . . . . . 90 . . % . . . . 5362 1 8 D2O . . . . . . . 10 . . % . . . . 5362 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5362 _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 pH 6.4 0.2 na 5362 1 temperature 293 1 K 5362 1 'ionic strength' 0.15 0.02 M 5362 1 stop_ save_ ############################ # Computer software used # ############################ save_Gifa _Software.Sf_category software _Software.Sf_framecode Gifa _Software.Entry_ID 5362 _Software.ID 1 _Software.Name Gifa _Software.Version 4.4 _Software.Details 'Pons, J.L., Malliavin, T.E., Delsuc, M.A. (1996) J. Biomol. NMR, 8, 445-452' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5362 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5362 _Software.ID 2 _Software.Name NMRView _Software.Version 5.0 _Software.Details 'Johnson, B.A, and Blevins, R.A (1994), J. Biomol. NMR, 4, 603-614' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 5362 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 5362 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 5362 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer3 _NMR_spectrometer.Entry_ID 5362 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer4 _NMR_spectrometer.Entry_ID 5362 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5362 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer1 Bruker DMX . 600 . . . 5362 1 2 NMR_spectrometer2 Bruker DRX . 500 . . . 5362 1 3 NMR_spectrometer3 Bruker DMX . 800 . . . 5362 1 4 NMR_spectrometer4 Varian INOVA . 800 . . . 5362 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 5362 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N TROSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5362 1 2 TROSY-HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5362 1 3 TROSY-HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5362 1 4 TROSY-HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5362 1 5 TROSY-HN(CO)CACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5362 1 6 TROSY-HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5362 1 7 TROSY-HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5362 1 8 '15N edited-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5362 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5362 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N TROSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5362 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name TROSY-HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5362 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name TROSY-HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5362 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name TROSY-HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5362 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name TROSY-HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5362 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name TROSY-HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5362 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name TROSY-HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5362 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '15N edited-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5362 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct . . . . . . 1.00000000 . . . 5362 1 C 13 TSP 'methyl protons' . . . . ppm 0.00 external indirect . . . . . . 0.25144953 . . . 5362 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 external indirect . . . . . . 0.101329118 . . . 5362 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5362 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; TROSY effects were corrected based on a JHN of 93Hz and 800 MHz 1H frequency. All chemical shifts were obtained from the 2H/13C/15N labeled sample and no correction was applied on the reported values for correction of 2H isotope effect. ; _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 '1H-15N TROSY-HSQC' 1 $sample_1 . 5362 1 2 TROSY-HNCA 1 $sample_1 . 5362 1 3 TROSY-HN(CO)CA 1 $sample_1 . 5362 1 4 TROSY-HNCACB 1 $sample_1 . 5362 1 5 TROSY-HN(CO)CACB 1 $sample_1 . 5362 1 6 TROSY-HNCO 1 $sample_1 . 5362 1 7 TROSY-HN(CA)CO 1 $sample_1 . 5362 1 8 '15N edited-NOESY' 1 $sample_1 . 5362 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 MET CA C 13 54.661 0.23 . 1 . . . . . . . . 5362 1 2 . 1 1 1 1 MET CB C 13 33.315 0.23 . 1 . . . . . . . . 5362 1 3 . 1 1 1 1 MET C C 13 171.416 0.11 . 1 . . . . . . . . 5362 1 4 . 1 1 2 2 LYS N N 15 124.425 0.22 . 1 . . . . . . . . 5362 1 5 . 1 1 2 2 LYS H H 1 8.886 0.012 . 1 . . . . . . . . 5362 1 6 . 1 1 2 2 LYS CA C 13 53.465 0.23 . 1 . . . . . . . . 5362 1 7 . 1 1 2 2 LYS CB C 13 34.130 0.23 . 1 . . . . . . . . 5362 1 8 . 1 1 2 2 LYS C C 13 176.689 0.11 . 1 . . . . . . . . 5362 1 9 . 1 1 3 3 ILE N N 15 121.370 0.22 . 1 . . . . . . . . 5362 1 10 . 1 1 3 3 ILE H H 1 8.816 0.012 . 1 . . . . . . . . 5362 1 11 . 1 1 3 3 ILE CA C 13 62.900 0.23 . 1 . . . . . . . . 5362 1 12 . 1 1 3 3 ILE CB C 13 37.828 0.23 . 1 . . . . . . . . 5362 1 13 . 1 1 3 3 ILE C C 13 176.847 0.11 . 1 . . . . . . . . 5362 1 14 . 1 1 4 4 ALA N N 15 133.698 0.22 . 1 . . . . . . . . 5362 1 15 . 1 1 4 4 ALA H H 1 9.338 0.012 . 1 . . . . . . . . 5362 1 16 . 1 1 4 4 ALA CA C 13 53.405 0.23 . 1 . . . . . . . . 5362 1 17 . 1 1 4 4 ALA CB C 13 16.587 0.23 . 1 . . . . . . . . 5362 1 18 . 1 1 4 4 ALA C C 13 177.023 0.11 . 1 . . . . . . . . 5362 1 19 . 1 1 5 5 LYS N N 15 117.711 0.22 . 1 . . . . . . . . 5362 1 20 . 1 1 5 5 LYS H H 1 7.646 0.012 . 1 . . . . . . . . 5362 1 21 . 1 1 5 5 LYS CA C 13 54.261 0.23 . 1 . . . . . . . . 5362 1 22 . 1 1 5 5 LYS CB C 13 34.457 0.23 . 1 . . . . . . . . 5362 1 23 . 1 1 5 5 LYS C C 13 174.968 0.11 . 1 . . . . . . . . 5362 1 24 . 1 1 6 6 VAL N N 15 124.308 0.22 . 1 . . . . . . . . 5362 1 25 . 1 1 6 6 VAL H H 1 8.852 0.012 . 1 . . . . . . . . 5362 1 26 . 1 1 6 6 VAL CA C 13 62.726 0.23 . 1 . . . . . . . . 5362 1 27 . 1 1 6 6 VAL CB C 13 31.197 0.23 . 1 . . . . . . . . 5362 1 28 . 1 1 6 6 VAL C C 13 175.643 0.11 . 1 . . . . . . . . 5362 1 29 . 1 1 7 7 ILE N N 15 130.561 0.22 . 1 . . . . . . . . 5362 1 30 . 1 1 7 7 ILE H H 1 8.361 0.012 . 1 . . . . . . . . 5362 1 31 . 1 1 7 7 ILE CA C 13 62.719 0.23 . 1 . . . . . . . . 5362 1 32 . 1 1 7 7 ILE CB C 13 35.633 0.23 . 1 . . . . . . . . 5362 1 33 . 1 1 7 7 ILE C C 13 176.132 0.11 . 1 . . . . . . . . 5362 1 34 . 1 1 8 8 ASN N N 15 113.914 0.22 . 1 . . . . . . . . 5362 1 35 . 1 1 8 8 ASN H H 1 8.618 0.012 . 1 . . . . . . . . 5362 1 36 . 1 1 8 8 ASN CA C 13 52.444 0.23 . 1 . . . . . . . . 5362 1 37 . 1 1 8 8 ASN CB C 13 37.089 0.23 . 1 . . . . . . . . 5362 1 38 . 1 1 8 8 ASN C C 13 174.066 0.11 . 1 . . . . . . . . 5362 1 39 . 1 1 9 9 ASN N N 15 111.966 0.22 . 1 . . . . . . . . 5362 1 40 . 1 1 9 9 ASN H H 1 8.416 0.012 . 1 . . . . . . . . 5362 1 41 . 1 1 9 9 ASN CA C 13 56.146 0.23 . 1 . . . . . . . . 5362 1 42 . 1 1 9 9 ASN CB C 13 37.144 0.23 . 1 . . . . . . . . 5362 1 43 . 1 1 9 9 ASN C C 13 175.276 0.11 . 1 . . . . . . . . 5362 1 44 . 1 1 10 10 ASN N N 15 112.180 0.22 . 1 . . . . . . . . 5362 1 45 . 1 1 10 10 ASN H H 1 9.004 0.012 . 1 . . . . . . . . 5362 1 46 . 1 1 10 10 ASN CA C 13 51.067 0.23 . 1 . . . . . . . . 5362 1 47 . 1 1 10 10 ASN CB C 13 40.793 0.23 . 1 . . . . . . . . 5362 1 48 . 1 1 10 10 ASN C C 13 173.822 0.11 . 1 . . . . . . . . 5362 1 49 . 1 1 11 11 VAL N N 15 118.996 0.22 . 1 . . . . . . . . 5362 1 50 . 1 1 11 11 VAL H H 1 7.299 0.012 . 1 . . . . . . . . 5362 1 51 . 1 1 11 11 VAL CA C 13 60.920 0.23 . 1 . . . . . . . . 5362 1 52 . 1 1 11 11 VAL CB C 13 33.929 0.23 . 1 . . . . . . . . 5362 1 53 . 1 1 11 11 VAL C C 13 173.987 0.11 . 1 . . . . . . . . 5362 1 54 . 1 1 12 12 ILE N N 15 118.676 0.22 . 1 . . . . . . . . 5362 1 55 . 1 1 12 12 ILE H H 1 8.952 0.012 . 1 . . . . . . . . 5362 1 56 . 1 1 12 12 ILE CA C 13 58.070 0.23 . 1 . . . . . . . . 5362 1 57 . 1 1 12 12 ILE CB C 13 40.703 0.23 . 1 . . . . . . . . 5362 1 58 . 1 1 12 12 ILE C C 13 174.028 0.11 . 1 . . . . . . . . 5362 1 59 . 1 1 13 13 SER N N 15 115.072 0.22 . 1 . . . . . . . . 5362 1 60 . 1 1 13 13 SER H H 1 9.219 0.012 . 1 . . . . . . . . 5362 1 61 . 1 1 13 13 SER CA C 13 55.808 0.23 . 1 . . . . . . . . 5362 1 62 . 1 1 13 13 SER CB C 13 64.905 0.23 . 1 . . . . . . . . 5362 1 63 . 1 1 13 13 SER C C 13 174.164 0.11 . 1 . . . . . . . . 5362 1 64 . 1 1 14 14 VAL N N 15 120.672 0.22 . 1 . . . . . . . . 5362 1 65 . 1 1 14 14 VAL H H 1 8.876 0.012 . 1 . . . . . . . . 5362 1 66 . 1 1 14 14 VAL CA C 13 59.754 0.23 . 1 . . . . . . . . 5362 1 67 . 1 1 14 14 VAL CB C 13 35.906 0.23 . 1 . . . . . . . . 5362 1 68 . 1 1 14 14 VAL C C 13 173.447 0.11 . 1 . . . . . . . . 5362 1 69 . 1 1 15 15 VAL N N 15 123.655 0.22 . 1 . . . . . . . . 5362 1 70 . 1 1 15 15 VAL H H 1 8.920 0.012 . 1 . . . . . . . . 5362 1 71 . 1 1 15 15 VAL CA C 13 60.242 0.23 . 1 . . . . . . . . 5362 1 72 . 1 1 15 15 VAL CB C 13 31.824 0.23 . 1 . . . . . . . . 5362 1 73 . 1 1 15 15 VAL C C 13 176.539 0.11 . 1 . . . . . . . . 5362 1 74 . 1 1 16 16 ASN N N 15 125.499 0.22 . 1 . . . . . . . . 5362 1 75 . 1 1 16 16 ASN H H 1 8.702 0.012 . 1 . . . . . . . . 5362 1 76 . 1 1 16 16 ASN CA C 13 50.437 0.23 . 1 . . . . . . . . 5362 1 77 . 1 1 16 16 ASN CB C 13 37.774 0.23 . 1 . . . . . . . . 5362 1 78 . 1 1 16 16 ASN C C 13 177.317 0.11 . 1 . . . . . . . . 5362 1 79 . 1 1 17 17 GLU N N 15 117.977 0.22 . 1 . . . . . . . . 5362 1 80 . 1 1 17 17 GLU H H 1 9.118 0.012 . 1 . . . . . . . . 5362 1 81 . 1 1 17 17 GLU CA C 13 58.393 0.23 . 1 . . . . . . . . 5362 1 82 . 1 1 17 17 GLU CB C 13 27.570 0.23 . 1 . . . . . . . . 5362 1 83 . 1 1 17 17 GLU C C 13 177.333 0.11 . 1 . . . . . . . . 5362 1 84 . 1 1 18 18 GLN N N 15 115.979 0.22 . 1 . . . . . . . . 5362 1 85 . 1 1 18 18 GLN H H 1 7.446 0.012 . 1 . . . . . . . . 5362 1 86 . 1 1 18 18 GLN CA C 13 55.082 0.23 . 1 . . . . . . . . 5362 1 87 . 1 1 18 18 GLN CB C 13 27.556 0.23 . 1 . . . . . . . . 5362 1 88 . 1 1 18 18 GLN C C 13 176.210 0.11 . 1 . . . . . . . . 5362 1 89 . 1 1 19 19 GLY N N 15 107.906 0.22 . 1 . . . . . . . . 5362 1 90 . 1 1 19 19 GLY H H 1 8.126 0.012 . 1 . . . . . . . . 5362 1 91 . 1 1 19 19 GLY CA C 13 44.612 0.23 . 1 . . . . . . . . 5362 1 92 . 1 1 19 19 GLY C C 13 174.018 0.11 . 1 . . . . . . . . 5362 1 93 . 1 1 20 20 LYS N N 15 121.793 0.22 . 1 . . . . . . . . 5362 1 94 . 1 1 20 20 LYS H H 1 7.822 0.012 . 1 . . . . . . . . 5362 1 95 . 1 1 20 20 LYS CA C 13 54.106 0.23 . 1 . . . . . . . . 5362 1 96 . 1 1 20 20 LYS CB C 13 31.728 0.23 . 1 . . . . . . . . 5362 1 97 . 1 1 20 20 LYS C C 13 174.809 0.11 . 1 . . . . . . . . 5362 1 98 . 1 1 21 21 GLU N N 15 124.278 0.22 . 1 . . . . . . . . 5362 1 99 . 1 1 21 21 GLU H H 1 8.566 0.012 . 1 . . . . . . . . 5362 1 100 . 1 1 21 21 GLU CA C 13 54.807 0.23 . 1 . . . . . . . . 5362 1 101 . 1 1 21 21 GLU CB C 13 29.864 0.23 . 1 . . . . . . . . 5362 1 102 . 1 1 21 21 GLU C C 13 175.483 0.11 . 1 . . . . . . . . 5362 1 103 . 1 1 22 22 LEU N N 15 127.566 0.22 . 1 . . . . . . . . 5362 1 104 . 1 1 22 22 LEU H H 1 9.405 0.012 . 1 . . . . . . . . 5362 1 105 . 1 1 22 22 LEU CA C 13 52.589 0.23 . 1 . . . . . . . . 5362 1 106 . 1 1 22 22 LEU CB C 13 42.792 0.23 . 1 . . . . . . . . 5362 1 107 . 1 1 22 22 LEU C C 13 176.138 0.11 . 1 . . . . . . . . 5362 1 108 . 1 1 23 23 VAL N N 15 121.545 0.22 . 1 . . . . . . . . 5362 1 109 . 1 1 23 23 VAL H H 1 8.354 0.012 . 1 . . . . . . . . 5362 1 110 . 1 1 23 23 VAL CA C 13 61.331 0.23 . 1 . . . . . . . . 5362 1 111 . 1 1 23 23 VAL CB C 13 31.827 0.23 . 1 . . . . . . . . 5362 1 112 . 1 1 23 23 VAL C C 13 174.269 0.11 . 1 . . . . . . . . 5362 1 113 . 1 1 24 24 VAL N N 15 126.875 0.22 . 1 . . . . . . . . 5362 1 114 . 1 1 24 24 VAL H H 1 9.112 0.012 . 1 . . . . . . . . 5362 1 115 . 1 1 24 24 VAL CA C 13 60.082 0.23 . 1 . . . . . . . . 5362 1 116 . 1 1 24 24 VAL CB C 13 32.610 0.23 . 1 . . . . . . . . 5362 1 117 . 1 1 24 24 VAL C C 13 173.096 0.11 . 1 . . . . . . . . 5362 1 118 . 1 1 25 25 MET N N 15 123.757 0.22 . 1 . . . . . . . . 5362 1 119 . 1 1 25 25 MET H H 1 9.051 0.012 . 1 . . . . . . . . 5362 1 120 . 1 1 25 25 MET CA C 13 52.159 0.23 . 1 . . . . . . . . 5362 1 121 . 1 1 25 25 MET CB C 13 37.251 0.23 . 1 . . . . . . . . 5362 1 122 . 1 1 25 25 MET C C 13 175.968 0.11 . 1 . . . . . . . . 5362 1 123 . 1 1 26 26 GLY N N 15 114.326 0.22 . 1 . . . . . . . . 5362 1 124 . 1 1 26 26 GLY H H 1 9.159 0.012 . 1 . . . . . . . . 5362 1 125 . 1 1 26 26 GLY CA C 13 45.291 0.23 . 1 . . . . . . . . 5362 1 126 . 1 1 26 26 GLY C C 13 172.759 0.11 . 1 . . . . . . . . 5362 1 127 . 1 1 27 27 ARG N N 15 124.880 0.22 . 1 . . . . . . . . 5362 1 128 . 1 1 27 27 ARG H H 1 8.886 0.012 . 1 . . . . . . . . 5362 1 129 . 1 1 27 27 ARG CA C 13 56.956 0.23 . 1 . . . . . . . . 5362 1 130 . 1 1 27 27 ARG CB C 13 27.351 0.23 . 1 . . . . . . . . 5362 1 131 . 1 1 27 27 ARG C C 13 178.600 0.11 . 1 . . . . . . . . 5362 1 132 . 1 1 28 28 GLY N N 15 114.133 0.22 . 1 . . . . . . . . 5362 1 133 . 1 1 28 28 GLY H H 1 9.271 0.012 . 1 . . . . . . . . 5362 1 134 . 1 1 28 28 GLY CA C 13 45.817 0.23 . 1 . . . . . . . . 5362 1 135 . 1 1 28 28 GLY C C 13 176.067 0.11 . 1 . . . . . . . . 5362 1 136 . 1 1 29 29 LEU N N 15 121.917 0.22 . 1 . . . . . . . . 5362 1 137 . 1 1 29 29 LEU H H 1 7.851 0.012 . 1 . . . . . . . . 5362 1 138 . 1 1 29 29 LEU CA C 13 56.705 0.23 . 1 . . . . . . . . 5362 1 139 . 1 1 29 29 LEU CB C 13 42.332 0.23 . 1 . . . . . . . . 5362 1 140 . 1 1 29 29 LEU C C 13 175.663 0.11 . 1 . . . . . . . . 5362 1 141 . 1 1 30 30 ALA N N 15 115.317 0.22 . 1 . . . . . . . . 5362 1 142 . 1 1 30 30 ALA H H 1 8.379 0.012 . 1 . . . . . . . . 5362 1 143 . 1 1 30 30 ALA CA C 13 48.935 0.23 . 1 . . . . . . . . 5362 1 144 . 1 1 30 30 ALA CB C 13 18.348 0.23 . 1 . . . . . . . . 5362 1 145 . 1 1 30 30 ALA C C 13 176.724 0.11 . 1 . . . . . . . . 5362 1 146 . 1 1 31 31 PHE N N 15 121.660 0.22 . 1 . . . . . . . . 5362 1 147 . 1 1 31 31 PHE H H 1 7.245 0.012 . 1 . . . . . . . . 5362 1 148 . 1 1 31 31 PHE CA C 13 58.544 0.23 . 1 . . . . . . . . 5362 1 149 . 1 1 31 31 PHE CB C 13 37.604 0.23 . 1 . . . . . . . . 5362 1 150 . 1 1 31 31 PHE C C 13 175.748 0.11 . 1 . . . . . . . . 5362 1 151 . 1 1 32 32 GLN N N 15 122.033 0.22 . 1 . . . . . . . . 5362 1 152 . 1 1 32 32 GLN H H 1 8.903 0.012 . 1 . . . . . . . . 5362 1 153 . 1 1 32 32 GLN CA C 13 56.508 0.23 . 1 . . . . . . . . 5362 1 154 . 1 1 32 32 GLN CB C 13 24.399 0.23 . 1 . . . . . . . . 5362 1 155 . 1 1 32 32 GLN C C 13 174.741 0.11 . 1 . . . . . . . . 5362 1 156 . 1 1 33 33 LYS N N 15 116.274 0.22 . 1 . . . . . . . . 5362 1 157 . 1 1 33 33 LYS H H 1 7.460 0.012 . 1 . . . . . . . . 5362 1 158 . 1 1 33 33 LYS CA C 13 52.857 0.23 . 1 . . . . . . . . 5362 1 159 . 1 1 33 33 LYS CB C 13 34.656 0.23 . 1 . . . . . . . . 5362 1 160 . 1 1 33 33 LYS C C 13 175.112 0.11 . 1 . . . . . . . . 5362 1 161 . 1 1 34 34 LYS N N 15 118.106 0.22 . 1 . . . . . . . . 5362 1 162 . 1 1 34 34 LYS H H 1 8.834 0.012 . 1 . . . . . . . . 5362 1 163 . 1 1 34 34 LYS CA C 13 53.082 0.23 . 1 . . . . . . . . 5362 1 164 . 1 1 34 34 LYS CB C 13 34.903 0.23 . 1 . . . . . . . . 5362 1 165 . 1 1 34 34 LYS C C 13 175.448 0.11 . 1 . . . . . . . . 5362 1 166 . 1 1 35 35 SER N N 15 112.836 0.22 . 1 . . . . . . . . 5362 1 167 . 1 1 35 35 SER H H 1 8.464 0.012 . 1 . . . . . . . . 5362 1 168 . 1 1 35 35 SER CA C 13 59.732 0.23 . 1 . . . . . . . . 5362 1 169 . 1 1 35 35 SER CB C 13 61.800 0.23 . 1 . . . . . . . . 5362 1 170 . 1 1 35 35 SER C C 13 175.451 0.11 . 1 . . . . . . . . 5362 1 171 . 1 1 36 36 GLY N N 15 114.932 0.22 . 1 . . . . . . . . 5362 1 172 . 1 1 36 36 GLY H H 1 9.200 0.012 . 1 . . . . . . . . 5362 1 173 . 1 1 36 36 GLY CA C 13 44.067 0.23 . 1 . . . . . . . . 5362 1 174 . 1 1 36 36 GLY C C 13 174.235 0.11 . 1 . . . . . . . . 5362 1 175 . 1 1 37 37 ASP N N 15 120.491 0.22 . 1 . . . . . . . . 5362 1 176 . 1 1 37 37 ASP H H 1 7.989 0.012 . 1 . . . . . . . . 5362 1 177 . 1 1 37 37 ASP CA C 13 53.712 0.23 . 1 . . . . . . . . 5362 1 178 . 1 1 37 37 ASP CB C 13 41.191 0.23 . 1 . . . . . . . . 5362 1 179 . 1 1 37 37 ASP C C 13 175.807 0.11 . 1 . . . . . . . . 5362 1 180 . 1 1 38 38 ASP N N 15 118.322 0.22 . 1 . . . . . . . . 5362 1 181 . 1 1 38 38 ASP H H 1 8.508 0.012 . 1 . . . . . . . . 5362 1 182 . 1 1 38 38 ASP CA C 13 53.805 0.23 . 1 . . . . . . . . 5362 1 183 . 1 1 38 38 ASP CB C 13 40.645 0.23 . 1 . . . . . . . . 5362 1 184 . 1 1 38 38 ASP C C 13 176.514 0.11 . 1 . . . . . . . . 5362 1 185 . 1 1 39 39 VAL N N 15 118.502 0.22 . 1 . . . . . . . . 5362 1 186 . 1 1 39 39 VAL H H 1 8.071 0.012 . 1 . . . . . . . . 5362 1 187 . 1 1 39 39 VAL CA C 13 60.386 0.23 . 1 . . . . . . . . 5362 1 188 . 1 1 39 39 VAL CB C 13 32.436 0.23 . 1 . . . . . . . . 5362 1 189 . 1 1 39 39 VAL C C 13 175.620 0.11 . 1 . . . . . . . . 5362 1 190 . 1 1 40 40 ASP N N 15 126.146 0.22 . 1 . . . . . . . . 5362 1 191 . 1 1 40 40 ASP H H 1 8.723 0.012 . 1 . . . . . . . . 5362 1 192 . 1 1 40 40 ASP CA C 13 52.184 0.23 . 1 . . . . . . . . 5362 1 193 . 1 1 40 40 ASP CB C 13 38.711 0.23 . 1 . . . . . . . . 5362 1 194 . 1 1 40 40 ASP C C 13 176.416 0.11 . 1 . . . . . . . . 5362 1 195 . 1 1 41 41 GLU N N 15 125.741 0.22 . 1 . . . . . . . . 5362 1 196 . 1 1 41 41 GLU H H 1 8.733 0.012 . 1 . . . . . . . . 5362 1 197 . 1 1 41 41 GLU CA C 13 58.295 0.23 . 1 . . . . . . . . 5362 1 198 . 1 1 41 41 GLU CB C 13 27.989 0.23 . 1 . . . . . . . . 5362 1 199 . 1 1 41 41 GLU C C 13 178.267 0.11 . 1 . . . . . . . . 5362 1 200 . 1 1 42 42 ALA N N 15 120.428 0.22 . 1 . . . . . . . . 5362 1 201 . 1 1 42 42 ALA H H 1 8.253 0.012 . 1 . . . . . . . . 5362 1 202 . 1 1 42 42 ALA CA C 13 53.071 0.23 . 1 . . . . . . . . 5362 1 203 . 1 1 42 42 ALA CB C 13 17.181 0.23 . 1 . . . . . . . . 5362 1 204 . 1 1 42 42 ALA C C 13 176.716 0.11 . 1 . . . . . . . . 5362 1 205 . 1 1 43 43 ARG N N 15 114.000 0.22 . 1 . . . . . . . . 5362 1 206 . 1 1 43 43 ARG H H 1 7.645 0.012 . 1 . . . . . . . . 5362 1 207 . 1 1 43 43 ARG CA C 13 60.082 0.23 . 1 . . . . . . . . 5362 1 208 . 1 1 43 43 ARG CB C 13 32.610 0.23 . 1 . . . . . . . . 5362 1 209 . 1 1 43 43 ARG C C 13 176.149 0.11 . 1 . . . . . . . . 5362 1 210 . 1 1 44 44 ILE N N 15 118.952 0.22 . 1 . . . . . . . . 5362 1 211 . 1 1 44 44 ILE H H 1 7.041 0.012 . 1 . . . . . . . . 5362 1 212 . 1 1 44 44 ILE CA C 13 63.681 0.23 . 1 . . . . . . . . 5362 1 213 . 1 1 44 44 ILE CB C 13 37.167 0.23 . 1 . . . . . . . . 5362 1 214 . 1 1 44 44 ILE C C 13 175.974 0.11 . 1 . . . . . . . . 5362 1 215 . 1 1 45 45 GLU N N 15 127.290 0.22 . 1 . . . . . . . . 5362 1 216 . 1 1 45 45 GLU H H 1 9.271 0.012 . 1 . . . . . . . . 5362 1 217 . 1 1 45 45 GLU CA C 13 56.455 0.23 . 1 . . . . . . . . 5362 1 218 . 1 1 45 45 GLU CB C 13 30.721 0.23 . 1 . . . . . . . . 5362 1 219 . 1 1 45 45 GLU C C 13 176.302 0.11 . 1 . . . . . . . . 5362 1 220 . 1 1 46 46 LYS N N 15 118.072 0.22 . 1 . . . . . . . . 5362 1 221 . 1 1 46 46 LYS H H 1 8.075 0.012 . 1 . . . . . . . . 5362 1 222 . 1 1 46 46 LYS CA C 13 53.956 0.23 . 1 . . . . . . . . 5362 1 223 . 1 1 46 46 LYS CB C 13 35.593 0.23 . 1 . . . . . . . . 5362 1 224 . 1 1 46 46 LYS C C 13 173.187 0.11 . 1 . . . . . . . . 5362 1 225 . 1 1 47 47 VAL N N 15 122.567 0.22 . 1 . . . . . . . . 5362 1 226 . 1 1 47 47 VAL H H 1 8.148 0.012 . 1 . . . . . . . . 5362 1 227 . 1 1 47 47 VAL CA C 13 60.576 0.23 . 1 . . . . . . . . 5362 1 228 . 1 1 47 47 VAL CB C 13 32.734 0.23 . 1 . . . . . . . . 5362 1 229 . 1 1 47 47 VAL C C 13 175.107 0.11 . 1 . . . . . . . . 5362 1 230 . 1 1 48 48 PHE N N 15 126.195 0.22 . 1 . . . . . . . . 5362 1 231 . 1 1 48 48 PHE H H 1 9.568 0.012 . 1 . . . . . . . . 5362 1 232 . 1 1 48 48 PHE CA C 13 56.088 0.23 . 1 . . . . . . . . 5362 1 233 . 1 1 49 49 THR CA C 13 59.774 0.23 . 1 . . . . . . . . 5362 1 234 . 1 1 49 49 THR CB C 13 68.155 0.23 . 1 . . . . . . . . 5362 1 235 . 1 1 49 49 THR C C 13 173.483 0.11 . 1 . . . . . . . . 5362 1 236 . 1 1 50 50 LEU N N 15 126.883 0.22 . 1 . . . . . . . . 5362 1 237 . 1 1 50 50 LEU H H 1 8.664 0.012 . 1 . . . . . . . . 5362 1 238 . 1 1 50 50 LEU CA C 13 53.182 0.23 . 1 . . . . . . . . 5362 1 239 . 1 1 50 50 LEU CB C 13 40.726 0.23 . 1 . . . . . . . . 5362 1 240 . 1 1 50 50 LEU C C 13 177.072 0.11 . 1 . . . . . . . . 5362 1 241 . 1 1 51 51 ASP N N 15 122.243 0.22 . 1 . . . . . . . . 5362 1 242 . 1 1 51 51 ASP H H 1 8.982 0.012 . 1 . . . . . . . . 5362 1 243 . 1 1 51 51 ASP CA C 13 55.244 0.23 . 1 . . . . . . . . 5362 1 244 . 1 1 51 51 ASP CB C 13 41.046 0.23 . 1 . . . . . . . . 5362 1 245 . 1 1 51 51 ASP C C 13 176.178 0.11 . 1 . . . . . . . . 5362 1 246 . 1 1 52 52 ASN N N 15 116.994 0.22 . 1 . . . . . . . . 5362 1 247 . 1 1 52 52 ASN H H 1 8.028 0.012 . 1 . . . . . . . . 5362 1 248 . 1 1 52 52 ASN CA C 13 52.426 0.23 . 1 . . . . . . . . 5362 1 249 . 1 1 52 52 ASN CB C 13 39.158 0.23 . 1 . . . . . . . . 5362 1 250 . 1 1 53 53 LYS CA C 13 58.041 0.23 . 1 . . . . . . . . 5362 1 251 . 1 1 53 53 LYS C C 13 177.824 0.11 . 1 . . . . . . . . 5362 1 252 . 1 1 54 54 ASP N N 15 119.634 0.22 . 1 . . . . . . . . 5362 1 253 . 1 1 54 54 ASP H H 1 8.174 0.012 . 1 . . . . . . . . 5362 1 254 . 1 1 54 54 ASP CA C 13 56.504 0.23 . 1 . . . . . . . . 5362 1 255 . 1 1 54 54 ASP CB C 13 39.479 0.23 . 1 . . . . . . . . 5362 1 256 . 1 1 54 54 ASP C C 13 178.992 0.11 . 1 . . . . . . . . 5362 1 257 . 1 1 55 55 VAL N N 15 120.079 0.22 . 1 . . . . . . . . 5362 1 258 . 1 1 55 55 VAL H H 1 7.957 0.012 . 1 . . . . . . . . 5362 1 259 . 1 1 55 55 VAL CA C 13 64.869 0.23 . 1 . . . . . . . . 5362 1 260 . 1 1 55 55 VAL CB C 13 30.535 0.23 . 1 . . . . . . . . 5362 1 261 . 1 1 55 55 VAL C C 13 177.636 0.11 . 1 . . . . . . . . 5362 1 262 . 1 1 56 56 SER N N 15 115.057 0.22 . 1 . . . . . . . . 5362 1 263 . 1 1 56 56 SER H H 1 8.300 0.012 . 1 . . . . . . . . 5362 1 264 . 1 1 56 56 SER CA C 13 61.546 0.23 . 1 . . . . . . . . 5362 1 265 . 1 1 56 56 SER C C 13 176.780 0.11 . 1 . . . . . . . . 5362 1 266 . 1 1 57 57 GLU N N 15 119.493 0.22 . 1 . . . . . . . . 5362 1 267 . 1 1 57 57 GLU H H 1 8.155 0.012 . 1 . . . . . . . . 5362 1 268 . 1 1 57 57 GLU CA C 13 58.532 0.23 . 1 . . . . . . . . 5362 1 269 . 1 1 57 57 GLU CB C 13 28.013 0.23 . 1 . . . . . . . . 5362 1 270 . 1 1 57 57 GLU C C 13 179.470 0.11 . 1 . . . . . . . . 5362 1 271 . 1 1 58 58 LYS N N 15 119.573 0.22 . 1 . . . . . . . . 5362 1 272 . 1 1 58 58 LYS H H 1 7.682 0.012 . 1 . . . . . . . . 5362 1 273 . 1 1 58 58 LYS CA C 13 58.386 0.23 . 1 . . . . . . . . 5362 1 274 . 1 1 58 58 LYS CB C 13 31.548 0.23 . 1 . . . . . . . . 5362 1 275 . 1 1 58 58 LYS C C 13 179.248 0.11 . 1 . . . . . . . . 5362 1 276 . 1 1 59 59 PHE CA C 13 59.449 0.23 . 1 . . . . . . . . 5362 1 277 . 1 1 59 59 PHE C C 13 176.189 0.11 . 1 . . . . . . . . 5362 1 278 . 1 1 60 60 LYS N N 15 116.345 0.22 . 1 . . . . . . . . 5362 1 279 . 1 1 60 60 LYS H H 1 8.182 0.012 . 1 . . . . . . . . 5362 1 280 . 1 1 60 60 LYS CA C 13 59.844 0.23 . 1 . . . . . . . . 5362 1 281 . 1 1 60 60 LYS CB C 13 30.805 0.23 . 1 . . . . . . . . 5362 1 282 . 1 1 60 60 LYS C C 13 177.957 0.11 . 1 . . . . . . . . 5362 1 283 . 1 1 61 61 THR N N 15 111.527 0.22 . 1 . . . . . . . . 5362 1 284 . 1 1 61 61 THR H H 1 7.586 0.012 . 1 . . . . . . . . 5362 1 285 . 1 1 61 61 THR CA C 13 65.153 0.23 . 1 . . . . . . . . 5362 1 286 . 1 1 61 61 THR CB C 13 68.143 0.23 . 1 . . . . . . . . 5362 1 287 . 1 1 61 61 THR C C 13 176.567 0.11 . 1 . . . . . . . . 5362 1 288 . 1 1 62 62 LEU N N 15 122.878 0.22 . 1 . . . . . . . . 5362 1 289 . 1 1 62 62 LEU H H 1 7.822 0.012 . 1 . . . . . . . . 5362 1 290 . 1 1 62 62 LEU CA C 13 56.596 0.23 . 1 . . . . . . . . 5362 1 291 . 1 1 62 62 LEU CB C 13 40.943 0.23 . 1 . . . . . . . . 5362 1 292 . 1 1 67 67 PRO CA C 13 61.869 0.23 . 1 . . . . . . . . 5362 1 293 . 1 1 67 67 PRO CB C 13 31.343 0.23 . 1 . . . . . . . . 5362 1 294 . 1 1 67 67 PRO C C 13 179.359 0.11 . 1 . . . . . . . . 5362 1 295 . 1 1 68 68 ILE N N 15 125.712 0.22 . 1 . . . . . . . . 5362 1 296 . 1 1 68 68 ILE H H 1 8.818 0.012 . 1 . . . . . . . . 5362 1 297 . 1 1 68 68 ILE CA C 13 62.756 0.23 . 1 . . . . . . . . 5362 1 298 . 1 1 68 68 ILE CB C 13 36.529 0.23 . 1 . . . . . . . . 5362 1 299 . 1 1 68 68 ILE C C 13 176.740 0.11 . 1 . . . . . . . . 5362 1 300 . 1 1 69 69 GLU N N 15 120.678 0.22 . 1 . . . . . . . . 5362 1 301 . 1 1 69 69 GLU H H 1 9.648 0.012 . 1 . . . . . . . . 5362 1 302 . 1 1 69 69 GLU CA C 13 59.312 0.23 . 1 . . . . . . . . 5362 1 303 . 1 1 69 69 GLU CB C 13 27.054 0.23 . 1 . . . . . . . . 5362 1 304 . 1 1 69 69 GLU C C 13 178.996 0.11 . 1 . . . . . . . . 5362 1 305 . 1 1 70 70 CYS N N 15 115.948 0.22 . 1 . . . . . . . . 5362 1 306 . 1 1 70 70 CYS H H 1 7.291 0.012 . 1 . . . . . . . . 5362 1 307 . 1 1 70 70 CYS CA C 13 60.642 0.23 . 1 . . . . . . . . 5362 1 308 . 1 1 70 70 CYS CB C 13 27.405 0.23 . 1 . . . . . . . . 5362 1 309 . 1 1 70 70 CYS C C 13 176.841 0.11 . 1 . . . . . . . . 5362 1 310 . 1 1 71 71 MET N N 15 120.491 0.22 . 1 . . . . . . . . 5362 1 311 . 1 1 71 71 MET H H 1 7.449 0.012 . 1 . . . . . . . . 5362 1 312 . 1 1 71 71 MET CA C 13 57.268 0.23 . 1 . . . . . . . . 5362 1 313 . 1 1 71 71 MET CB C 13 32.282 0.23 . 1 . . . . . . . . 5362 1 314 . 1 1 71 71 MET C C 13 178.100 0.11 . 1 . . . . . . . . 5362 1 315 . 1 1 72 72 GLU N N 15 117.187 0.22 . 1 . . . . . . . . 5362 1 316 . 1 1 72 72 GLU H H 1 8.772 0.012 . 1 . . . . . . . . 5362 1 317 . 1 1 72 72 GLU CA C 13 58.789 0.23 . 1 . . . . . . . . 5362 1 318 . 1 1 72 72 GLU CB C 13 28.623 0.23 . 1 . . . . . . . . 5362 1 319 . 1 1 72 72 GLU C C 13 179.411 0.11 . 1 . . . . . . . . 5362 1 320 . 1 1 73 73 VAL N N 15 117.470 0.22 . 1 . . . . . . . . 5362 1 321 . 1 1 73 73 VAL H H 1 8.033 0.012 . 1 . . . . . . . . 5362 1 322 . 1 1 73 73 VAL CA C 13 63.620 0.23 . 1 . . . . . . . . 5362 1 323 . 1 1 73 73 VAL CB C 13 30.345 0.23 . 1 . . . . . . . . 5362 1 324 . 1 1 73 73 VAL C C 13 176.236 0.11 . 1 . . . . . . . . 5362 1 325 . 1 1 74 74 SER N N 15 118.336 0.22 . 1 . . . . . . . . 5362 1 326 . 1 1 74 74 SER H H 1 7.878 0.012 . 1 . . . . . . . . 5362 1 327 . 1 1 74 74 SER CA C 13 62.017 0.23 . 1 . . . . . . . . 5362 1 328 . 1 1 74 74 SER C C 13 175.858 0.11 . 1 . . . . . . . . 5362 1 329 . 1 1 75 75 GLU N N 15 119.139 0.22 . 1 . . . . . . . . 5362 1 330 . 1 1 75 75 GLU H H 1 8.056 0.012 . 1 . . . . . . . . 5362 1 331 . 1 1 75 75 GLU CA C 13 59.272 0.23 . 1 . . . . . . . . 5362 1 332 . 1 1 75 75 GLU CB C 13 27.073 0.23 . 1 . . . . . . . . 5362 1 333 . 1 1 75 75 GLU C C 13 178.227 0.11 . 1 . . . . . . . . 5362 1 334 . 1 1 76 76 GLU N N 15 120.476 0.22 . 1 . . . . . . . . 5362 1 335 . 1 1 76 76 GLU H H 1 7.892 0.012 . 1 . . . . . . . . 5362 1 336 . 1 1 76 76 GLU CA C 13 58.853 0.23 . 1 . . . . . . . . 5362 1 337 . 1 1 76 76 GLU CB C 13 28.211 0.23 . 1 . . . . . . . . 5362 1 338 . 1 1 76 76 GLU C C 13 179.982 0.11 . 1 . . . . . . . . 5362 1 339 . 1 1 77 77 ILE N N 15 121.235 0.22 . 1 . . . . . . . . 5362 1 340 . 1 1 77 77 ILE H H 1 8.502 0.012 . 1 . . . . . . . . 5362 1 341 . 1 1 77 77 ILE CA C 13 64.941 0.23 . 1 . . . . . . . . 5362 1 342 . 1 1 77 77 ILE CB C 13 37.083 0.23 . 1 . . . . . . . . 5362 1 343 . 1 1 77 77 ILE C C 13 177.208 0.11 . 1 . . . . . . . . 5362 1 344 . 1 1 78 78 ILE N N 15 120.779 0.22 . 1 . . . . . . . . 5362 1 345 . 1 1 78 78 ILE H H 1 8.421 0.012 . 1 . . . . . . . . 5362 1 346 . 1 1 78 78 ILE CA C 13 65.883 0.23 . 1 . . . . . . . . 5362 1 347 . 1 1 78 78 ILE CB C 13 37.117 0.23 . 1 . . . . . . . . 5362 1 348 . 1 1 78 78 ILE C C 13 177.828 0.11 . 1 . . . . . . . . 5362 1 349 . 1 1 79 79 SER N N 15 114.953 0.22 . 1 . . . . . . . . 5362 1 350 . 1 1 79 79 SER H H 1 8.791 0.012 . 1 . . . . . . . . 5362 1 351 . 1 1 79 79 SER CA C 13 61.691 0.23 . 1 . . . . . . . . 5362 1 352 . 1 1 79 79 SER C C 13 177.099 0.11 . 1 . . . . . . . . 5362 1 353 . 1 1 80 80 TYR N N 15 123.337 0.22 . 1 . . . . . . . . 5362 1 354 . 1 1 80 80 TYR H H 1 7.938 0.012 . 1 . . . . . . . . 5362 1 355 . 1 1 80 80 TYR CA C 13 60.429 0.23 . 1 . . . . . . . . 5362 1 356 . 1 1 80 80 TYR CB C 13 37.651 0.23 . 1 . . . . . . . . 5362 1 357 . 1 1 80 80 TYR C C 13 177.012 0.11 . 1 . . . . . . . . 5362 1 358 . 1 1 81 81 ALA N N 15 121.544 0.22 . 1 . . . . . . . . 5362 1 359 . 1 1 81 81 ALA H H 1 9.018 0.012 . 1 . . . . . . . . 5362 1 360 . 1 1 81 81 ALA CA C 13 54.398 0.23 . 1 . . . . . . . . 5362 1 361 . 1 1 81 81 ALA CB C 13 17.006 0.23 . 1 . . . . . . . . 5362 1 362 . 1 1 81 81 ALA C C 13 179.282 0.11 . 1 . . . . . . . . 5362 1 363 . 1 1 82 82 LYS N N 15 115.755 0.22 . 1 . . . . . . . . 5362 1 364 . 1 1 82 82 LYS H H 1 8.346 0.012 . 1 . . . . . . . . 5362 1 365 . 1 1 82 82 LYS CA C 13 59.482 0.23 . 1 . . . . . . . . 5362 1 366 . 1 1 82 82 LYS CB C 13 31.988 0.23 . 1 . . . . . . . . 5362 1 367 . 1 1 82 82 LYS C C 13 179.765 0.11 . 1 . . . . . . . . 5362 1 368 . 1 1 83 83 LEU N N 15 119.194 0.22 . 1 . . . . . . . . 5362 1 369 . 1 1 83 83 LEU H H 1 7.567 0.012 . 1 . . . . . . . . 5362 1 370 . 1 1 83 83 LEU CA C 13 56.534 0.23 . 1 . . . . . . . . 5362 1 371 . 1 1 83 83 LEU CB C 13 40.894 0.23 . 1 . . . . . . . . 5362 1 372 . 1 1 83 83 LEU C C 13 179.408 0.11 . 1 . . . . . . . . 5362 1 373 . 1 1 84 84 GLN N N 15 116.347 0.22 . 1 . . . . . . . . 5362 1 374 . 1 1 84 84 GLN H H 1 8.252 0.012 . 1 . . . . . . . . 5362 1 375 . 1 1 84 84 GLN CA C 13 56.152 0.23 . 1 . . . . . . . . 5362 1 376 . 1 1 84 84 GLN CB C 13 28.005 0.23 . 1 . . . . . . . . 5362 1 377 . 1 1 84 84 GLN C C 13 178.481 0.11 . 1 . . . . . . . . 5362 1 378 . 1 1 85 85 LEU N N 15 115.209 0.22 . 1 . . . . . . . . 5362 1 379 . 1 1 85 85 LEU H H 1 8.158 0.012 . 1 . . . . . . . . 5362 1 380 . 1 1 85 85 LEU CA C 13 54.536 0.23 . 1 . . . . . . . . 5362 1 381 . 1 1 85 85 LEU CB C 13 41.629 0.23 . 1 . . . . . . . . 5362 1 382 . 1 1 85 85 LEU C C 13 178.455 0.11 . 1 . . . . . . . . 5362 1 383 . 1 1 86 86 GLY N N 15 106.982 0.22 . 1 . . . . . . . . 5362 1 384 . 1 1 86 86 GLY H H 1 7.783 0.012 . 1 . . . . . . . . 5362 1 385 . 1 1 86 86 GLY CA C 13 45.463 0.23 . 1 . . . . . . . . 5362 1 386 . 1 1 86 86 GLY C C 13 174.198 0.11 . 1 . . . . . . . . 5362 1 387 . 1 1 87 87 LYS N N 15 116.216 0.22 . 1 . . . . . . . . 5362 1 388 . 1 1 87 87 LYS H H 1 6.993 0.012 . 1 . . . . . . . . 5362 1 389 . 1 1 87 87 LYS CA C 13 53.580 0.23 . 1 . . . . . . . . 5362 1 390 . 1 1 87 87 LYS CB C 13 34.005 0.23 . 1 . . . . . . . . 5362 1 391 . 1 1 87 87 LYS C C 13 175.301 0.11 . 1 . . . . . . . . 5362 1 392 . 1 1 88 88 LYS N N 15 120.264 0.22 . 1 . . . . . . . . 5362 1 393 . 1 1 88 88 LYS H H 1 8.346 0.012 . 1 . . . . . . . . 5362 1 394 . 1 1 88 88 LYS CA C 13 55.443 0.23 . 1 . . . . . . . . 5362 1 395 . 1 1 88 88 LYS CB C 13 31.786 0.23 . 1 . . . . . . . . 5362 1 396 . 1 1 88 88 LYS C C 13 175.858 0.11 . 1 . . . . . . . . 5362 1 397 . 1 1 89 89 LEU N N 15 119.178 0.22 . 1 . . . . . . . . 5362 1 398 . 1 1 89 89 LEU H H 1 8.194 0.012 . 1 . . . . . . . . 5362 1 399 . 1 1 89 89 LEU CA C 13 51.995 0.23 . 1 . . . . . . . . 5362 1 400 . 1 1 89 89 LEU CB C 13 41.722 0.23 . 1 . . . . . . . . 5362 1 401 . 1 1 89 89 LEU C C 13 175.811 0.11 . 1 . . . . . . . . 5362 1 402 . 1 1 90 90 ASN N N 15 122.473 0.22 . 1 . . . . . . . . 5362 1 403 . 1 1 90 90 ASN H H 1 7.897 0.012 . 1 . . . . . . . . 5362 1 404 . 1 1 90 90 ASN CA C 13 54.044 0.23 . 1 . . . . . . . . 5362 1 405 . 1 1 90 90 ASN CB C 13 40.547 0.23 . 1 . . . . . . . . 5362 1 406 . 1 1 90 90 ASN C C 13 175.009 0.11 . 1 . . . . . . . . 5362 1 407 . 1 1 91 91 ASP N N 15 122.740 0.22 . 1 . . . . . . . . 5362 1 408 . 1 1 91 91 ASP H H 1 8.828 0.012 . 1 . . . . . . . . 5362 1 409 . 1 1 91 91 ASP CA C 13 56.258 0.23 . 1 . . . . . . . . 5362 1 410 . 1 1 91 91 ASP CB C 13 40.251 0.23 . 1 . . . . . . . . 5362 1 411 . 1 1 91 91 ASP C C 13 177.072 0.11 . 1 . . . . . . . . 5362 1 412 . 1 1 92 92 SER N N 15 116.520 0.22 . 1 . . . . . . . . 5362 1 413 . 1 1 92 92 SER H H 1 8.979 0.012 . 1 . . . . . . . . 5362 1 414 . 1 1 92 92 SER CA C 13 61.203 0.23 . 1 . . . . . . . . 5362 1 415 . 1 1 92 92 SER C C 13 176.756 0.11 . 1 . . . . . . . . 5362 1 416 . 1 1 93 93 ILE N N 15 124.457 0.22 . 1 . . . . . . . . 5362 1 417 . 1 1 93 93 ILE H H 1 8.165 0.012 . 1 . . . . . . . . 5362 1 418 . 1 1 93 93 ILE CA C 13 61.698 0.23 . 1 . . . . . . . . 5362 1 419 . 1 1 93 93 ILE CB C 13 36.830 0.23 . 1 . . . . . . . . 5362 1 420 . 1 1 93 93 ILE C C 13 175.669 0.11 . 1 . . . . . . . . 5362 1 421 . 1 1 94 94 TYR N N 15 119.152 0.22 . 1 . . . . . . . . 5362 1 422 . 1 1 94 94 TYR H H 1 7.830 0.012 . 1 . . . . . . . . 5362 1 423 . 1 1 94 94 TYR CA C 13 62.271 0.23 . 1 . . . . . . . . 5362 1 424 . 1 1 94 94 TYR CB C 13 35.178 0.23 . 1 . . . . . . . . 5362 1 425 . 1 1 94 94 TYR C C 13 177.909 0.11 . 1 . . . . . . . . 5362 1 426 . 1 1 98 98 THR N N 15 115.271 0.22 . 1 . . . . . . . . 5362 1 427 . 1 1 98 98 THR H H 1 6.532 0.012 . 1 . . . . . . . . 5362 1 428 . 1 1 98 98 THR CA C 13 65.351 0.23 . 1 . . . . . . . . 5362 1 429 . 1 1 98 98 THR CB C 13 66.759 0.23 . 1 . . . . . . . . 5362 1 430 . 1 1 98 98 THR C C 13 175.729 0.11 . 1 . . . . . . . . 5362 1 431 . 1 1 99 99 ASP N N 15 117.834 0.22 . 1 . . . . . . . . 5362 1 432 . 1 1 99 99 ASP H H 1 7.646 0.012 . 1 . . . . . . . . 5362 1 433 . 1 1 99 99 ASP CA C 13 59.315 0.23 . 1 . . . . . . . . 5362 1 434 . 1 1 99 99 ASP C C 13 177.529 0.11 . 1 . . . . . . . . 5362 1 435 . 1 1 100 100 HIS N N 15 115.273 0.22 . 1 . . . . . . . . 5362 1 436 . 1 1 100 100 HIS H H 1 7.634 0.012 . 1 . . . . . . . . 5362 1 437 . 1 1 100 100 HIS CA C 13 59.702 0.23 . 1 . . . . . . . . 5362 1 438 . 1 1 100 100 HIS CB C 13 27.234 0.23 . 1 . . . . . . . . 5362 1 439 . 1 1 100 100 HIS C C 13 176.519 0.11 . 1 . . . . . . . . 5362 1 440 . 1 1 101 101 ILE N N 15 118.724 0.22 . 1 . . . . . . . . 5362 1 441 . 1 1 101 101 ILE H H 1 8.807 0.012 . 1 . . . . . . . . 5362 1 442 . 1 1 101 101 ILE CA C 13 63.376 0.23 . 1 . . . . . . . . 5362 1 443 . 1 1 101 101 ILE CB C 13 34.849 0.23 . 1 . . . . . . . . 5362 1 444 . 1 1 101 101 ILE C C 13 176.918 0.11 . 1 . . . . . . . . 5362 1 445 . 1 1 102 102 ASN N N 15 116.653 0.22 . 1 . . . . . . . . 5362 1 446 . 1 1 102 102 ASN H H 1 7.690 0.012 . 1 . . . . . . . . 5362 1 447 . 1 1 102 102 ASN CA C 13 56.512 0.23 . 1 . . . . . . . . 5362 1 448 . 1 1 102 102 ASN CB C 13 38.478 0.23 . 1 . . . . . . . . 5362 1 449 . 1 1 102 102 ASN C C 13 176.871 0.11 . 1 . . . . . . . . 5362 1 450 . 1 1 103 103 PHE N N 15 118.980 0.22 . 1 . . . . . . . . 5362 1 451 . 1 1 103 103 PHE H H 1 7.854 0.012 . 1 . . . . . . . . 5362 1 452 . 1 1 103 103 PHE CA C 13 60.312 0.23 . 1 . . . . . . . . 5362 1 453 . 1 1 103 103 PHE CB C 13 37.726 0.23 . 1 . . . . . . . . 5362 1 454 . 1 1 103 103 PHE C C 13 177.303 0.11 . 1 . . . . . . . . 5362 1 455 . 1 1 104 104 ALA N N 15 121.806 0.22 . 1 . . . . . . . . 5362 1 456 . 1 1 104 104 ALA H H 1 8.736 0.012 . 1 . . . . . . . . 5362 1 457 . 1 1 104 104 ALA CA C 13 53.779 0.23 . 1 . . . . . . . . 5362 1 458 . 1 1 104 104 ALA CB C 13 16.873 0.23 . 1 . . . . . . . . 5362 1 459 . 1 1 104 104 ALA C C 13 180.817 0.11 . 1 . . . . . . . . 5362 1 460 . 1 1 105 105 ILE N N 15 117.220 0.22 . 1 . . . . . . . . 5362 1 461 . 1 1 105 105 ILE H H 1 8.194 0.012 . 1 . . . . . . . . 5362 1 462 . 1 1 105 105 ILE CA C 13 64.641 0.23 . 1 . . . . . . . . 5362 1 463 . 1 1 105 105 ILE CB C 13 36.673 0.23 . 1 . . . . . . . . 5362 1 464 . 1 1 105 105 ILE C C 13 177.879 0.11 . 1 . . . . . . . . 5362 1 465 . 1 1 106 106 GLN N N 15 118.677 0.22 . 1 . . . . . . . . 5362 1 466 . 1 1 106 106 GLN H H 1 7.756 0.012 . 1 . . . . . . . . 5362 1 467 . 1 1 106 106 GLN CA C 13 57.634 0.23 . 1 . . . . . . . . 5362 1 468 . 1 1 106 106 GLN CB C 13 27.440 0.23 . 1 . . . . . . . . 5362 1 469 . 1 1 106 106 GLN C C 13 178.360 0.11 . 1 . . . . . . . . 5362 1 470 . 1 1 107 107 ARG N N 15 118.295 0.22 . 1 . . . . . . . . 5362 1 471 . 1 1 107 107 ARG H H 1 8.157 0.012 . 1 . . . . . . . . 5362 1 472 . 1 1 107 107 ARG CA C 13 57.494 0.23 . 1 . . . . . . . . 5362 1 473 . 1 1 107 107 ARG CB C 13 28.098 0.23 . 1 . . . . . . . . 5362 1 474 . 1 1 107 107 ARG C C 13 177.781 0.11 . 1 . . . . . . . . 5362 1 475 . 1 1 108 108 ASN N N 15 118.034 0.22 . 1 . . . . . . . . 5362 1 476 . 1 1 108 108 ASN H H 1 7.695 0.012 . 1 . . . . . . . . 5362 1 477 . 1 1 108 108 ASN CA C 13 55.362 0.23 . 1 . . . . . . . . 5362 1 478 . 1 1 108 108 ASN CB C 13 38.672 0.23 . 1 . . . . . . . . 5362 1 479 . 1 1 108 108 ASN C C 13 177.310 0.11 . 1 . . . . . . . . 5362 1 480 . 1 1 109 109 GLN N N 15 118.745 0.22 . 1 . . . . . . . . 5362 1 481 . 1 1 109 109 GLN H H 1 8.336 0.012 . 1 . . . . . . . . 5362 1 482 . 1 1 109 109 GLN CA C 13 56.987 0.23 . 1 . . . . . . . . 5362 1 483 . 1 1 109 109 GLN CB C 13 27.654 0.23 . 1 . . . . . . . . 5362 1 484 . 1 1 109 109 GLN C C 13 177.512 0.11 . 1 . . . . . . . . 5362 1 485 . 1 1 110 110 LYS N N 15 117.237 0.22 . 1 . . . . . . . . 5362 1 486 . 1 1 110 110 LYS H H 1 7.911 0.012 . 1 . . . . . . . . 5362 1 487 . 1 1 110 110 LYS CA C 13 55.746 0.23 . 1 . . . . . . . . 5362 1 488 . 1 1 110 110 LYS CB C 13 31.839 0.23 . 1 . . . . . . . . 5362 1 489 . 1 1 110 110 LYS C C 13 177.093 0.11 . 1 . . . . . . . . 5362 1 490 . 1 1 111 111 GLY N N 15 108.884 0.22 . 1 . . . . . . . . 5362 1 491 . 1 1 111 111 GLY H H 1 7.886 0.012 . 1 . . . . . . . . 5362 1 492 . 1 1 111 111 GLY CA C 13 45.317 0.23 . 1 . . . . . . . . 5362 1 493 . 1 1 111 111 GLY C C 13 174.547 0.11 . 1 . . . . . . . . 5362 1 494 . 1 1 112 112 LEU N N 15 119.857 0.22 . 1 . . . . . . . . 5362 1 495 . 1 1 112 112 LEU H H 1 7.711 0.012 . 1 . . . . . . . . 5362 1 496 . 1 1 112 112 LEU CA C 13 53.862 0.23 . 1 . . . . . . . . 5362 1 497 . 1 1 112 112 LEU CB C 13 41.202 0.23 . 1 . . . . . . . . 5362 1 498 . 1 1 112 112 LEU C C 13 176.378 0.11 . 1 . . . . . . . . 5362 1 499 . 1 1 113 113 ASP N N 15 123.040 0.22 . 1 . . . . . . . . 5362 1 500 . 1 1 113 113 ASP H H 1 8.538 0.012 . 1 . . . . . . . . 5362 1 501 . 1 1 113 113 ASP CA C 13 53.163 0.23 . 1 . . . . . . . . 5362 1 502 . 1 1 113 113 ASP CB C 13 40.489 0.23 . 1 . . . . . . . . 5362 1 503 . 1 1 113 113 ASP C C 13 176.098 0.11 . 1 . . . . . . . . 5362 1 504 . 1 1 114 114 ILE N N 15 122.752 0.22 . 1 . . . . . . . . 5362 1 505 . 1 1 114 114 ILE H H 1 8.180 0.012 . 1 . . . . . . . . 5362 1 506 . 1 1 114 114 ILE CA C 13 60.197 0.23 . 1 . . . . . . . . 5362 1 507 . 1 1 114 114 ILE CB C 13 37.997 0.23 . 1 . . . . . . . . 5362 1 508 . 1 1 114 114 ILE C C 13 176.438 0.11 . 1 . . . . . . . . 5362 1 509 . 1 1 115 115 LYS N N 15 125.592 0.22 . 1 . . . . . . . . 5362 1 510 . 1 1 115 115 LYS H H 1 8.513 0.012 . 1 . . . . . . . . 5362 1 511 . 1 1 115 115 LYS CA C 13 56.889 0.23 . 1 . . . . . . . . 5362 1 512 . 1 1 115 115 LYS CB C 13 30.956 0.23 . 1 . . . . . . . . 5362 1 513 . 1 1 115 115 LYS C C 13 177.407 0.11 . 1 . . . . . . . . 5362 1 514 . 1 1 116 116 ASN N N 15 118.599 0.22 . 1 . . . . . . . . 5362 1 515 . 1 1 116 116 ASN H H 1 8.757 0.012 . 1 . . . . . . . . 5362 1 516 . 1 1 116 116 ASN CA C 13 52.688 0.23 . 1 . . . . . . . . 5362 1 517 . 1 1 116 116 ASN CB C 13 36.999 0.23 . 1 . . . . . . . . 5362 1 518 . 1 1 116 116 ASN C C 13 175.162 0.11 . 1 . . . . . . . . 5362 1 519 . 1 1 117 117 ALA N N 15 120.340 0.22 . 1 . . . . . . . . 5362 1 520 . 1 1 117 117 ALA H H 1 7.951 0.012 . 1 . . . . . . . . 5362 1 521 . 1 1 117 117 ALA CA C 13 54.774 0.23 . 1 . . . . . . . . 5362 1 522 . 1 1 117 117 ALA CB C 13 17.854 0.23 . 1 . . . . . . . . 5362 1 523 . 1 1 117 117 ALA C C 13 180.027 0.11 . 1 . . . . . . . . 5362 1 524 . 1 1 118 118 LEU N N 15 121.900 0.22 . 1 . . . . . . . . 5362 1 525 . 1 1 118 118 LEU H H 1 8.841 0.012 . 1 . . . . . . . . 5362 1 526 . 1 1 118 118 LEU CA C 13 56.694 0.23 . 1 . . . . . . . . 5362 1 527 . 1 1 118 118 LEU CB C 13 39.203 0.23 . 1 . . . . . . . . 5362 1 528 . 1 1 118 118 LEU C C 13 179.017 0.11 . 1 . . . . . . . . 5362 1 529 . 1 1 119 119 LEU N N 15 122.624 0.22 . 1 . . . . . . . . 5362 1 530 . 1 1 119 119 LEU H H 1 7.698 0.012 . 1 . . . . . . . . 5362 1 531 . 1 1 119 119 LEU CA C 13 57.127 0.23 . 1 . . . . . . . . 5362 1 532 . 1 1 119 119 LEU CB C 13 39.566 0.23 . 1 . . . . . . . . 5362 1 533 . 1 1 119 119 LEU C C 13 178.399 0.11 . 1 . . . . . . . . 5362 1 534 . 1 1 120 120 TRP N N 15 117.458 0.22 . 1 . . . . . . . . 5362 1 535 . 1 1 120 120 TRP H H 1 7.445 0.012 . 1 . . . . . . . . 5362 1 536 . 1 1 120 120 TRP CA C 13 57.387 0.23 . 1 . . . . . . . . 5362 1 537 . 1 1 120 120 TRP C C 13 178.767 0.11 . 1 . . . . . . . . 5362 1 538 . 1 1 121 121 GLU N N 15 123.147 0.22 . 1 . . . . . . . . 5362 1 539 . 1 1 121 121 GLU H H 1 8.137 0.012 . 1 . . . . . . . . 5362 1 540 . 1 1 121 121 GLU CA C 13 57.626 0.23 . 1 . . . . . . . . 5362 1 541 . 1 1 121 121 GLU CB C 13 28.392 0.23 . 1 . . . . . . . . 5362 1 542 . 1 1 121 121 GLU C C 13 178.540 0.11 . 1 . . . . . . . . 5362 1 543 . 1 1 122 122 THR N N 15 115.323 0.22 . 1 . . . . . . . . 5362 1 544 . 1 1 122 122 THR H H 1 7.745 0.012 . 1 . . . . . . . . 5362 1 545 . 1 1 122 122 THR CA C 13 66.378 0.23 . 1 . . . . . . . . 5362 1 546 . 1 1 122 122 THR C C 13 175.296 0.11 . 1 . . . . . . . . 5362 1 547 . 1 1 123 123 LYS N N 15 119.872 0.22 . 1 . . . . . . . . 5362 1 548 . 1 1 123 123 LYS H H 1 7.091 0.012 . 1 . . . . . . . . 5362 1 549 . 1 1 123 123 LYS CA C 13 58.528 0.23 . 1 . . . . . . . . 5362 1 550 . 1 1 123 123 LYS CB C 13 30.634 0.23 . 1 . . . . . . . . 5362 1 551 . 1 1 123 123 LYS C C 13 176.568 0.11 . 1 . . . . . . . . 5362 1 552 . 1 1 124 124 ARG N N 15 115.886 0.22 . 1 . . . . . . . . 5362 1 553 . 1 1 124 124 ARG H H 1 7.362 0.012 . 1 . . . . . . . . 5362 1 554 . 1 1 124 124 ARG CA C 13 57.801 0.23 . 1 . . . . . . . . 5362 1 555 . 1 1 124 124 ARG CB C 13 29.633 0.23 . 1 . . . . . . . . 5362 1 556 . 1 1 124 124 ARG C C 13 178.730 0.11 . 1 . . . . . . . . 5362 1 557 . 1 1 125 125 LEU N N 15 116.587 0.22 . 1 . . . . . . . . 5362 1 558 . 1 1 125 125 LEU H H 1 7.826 0.012 . 1 . . . . . . . . 5362 1 559 . 1 1 125 125 LEU CA C 13 55.516 0.23 . 1 . . . . . . . . 5362 1 560 . 1 1 125 125 LEU CB C 13 41.941 0.23 . 1 . . . . . . . . 5362 1 561 . 1 1 125 125 LEU C C 13 177.030 0.11 . 1 . . . . . . . . 5362 1 562 . 1 1 126 126 TYR N N 15 120.004 0.22 . 1 . . . . . . . . 5362 1 563 . 1 1 126 126 TYR H H 1 7.688 0.012 . 1 . . . . . . . . 5362 1 564 . 1 1 126 126 TYR CA C 13 53.659 0.23 . 1 . . . . . . . . 5362 1 565 . 1 1 126 126 TYR CB C 13 35.040 0.23 . 1 . . . . . . . . 5362 1 566 . 1 1 126 126 TYR C C 13 175.079 0.11 . 1 . . . . . . . . 5362 1 567 . 1 1 127 127 LYS N N 15 121.363 0.22 . 1 . . . . . . . . 5362 1 568 . 1 1 127 127 LYS H H 1 7.549 0.012 . 1 . . . . . . . . 5362 1 569 . 1 1 127 127 LYS CA C 13 59.778 0.23 . 1 . . . . . . . . 5362 1 570 . 1 1 127 127 LYS CB C 13 31.399 0.23 . 1 . . . . . . . . 5362 1 571 . 1 1 127 127 LYS C C 13 180.346 0.11 . 1 . . . . . . . . 5362 1 572 . 1 1 128 128 ASP N N 15 120.425 0.22 . 1 . . . . . . . . 5362 1 573 . 1 1 128 128 ASP H H 1 8.967 0.012 . 1 . . . . . . . . 5362 1 574 . 1 1 128 128 ASP CA C 13 56.583 0.23 . 1 . . . . . . . . 5362 1 575 . 1 1 128 128 ASP CB C 13 39.125 0.23 . 1 . . . . . . . . 5362 1 576 . 1 1 128 128 ASP C C 13 179.039 0.11 . 1 . . . . . . . . 5362 1 577 . 1 1 129 129 GLU N N 15 121.896 0.22 . 1 . . . . . . . . 5362 1 578 . 1 1 129 129 GLU H H 1 9.660 0.012 . 1 . . . . . . . . 5362 1 579 . 1 1 129 129 GLU CA C 13 61.228 0.23 . 1 . . . . . . . . 5362 1 580 . 1 1 129 129 GLU CB C 13 25.612 0.23 . 1 . . . . . . . . 5362 1 581 . 1 1 129 129 GLU C C 13 178.125 0.11 . 1 . . . . . . . . 5362 1 582 . 1 1 130 130 PHE N N 15 121.347 0.22 . 1 . . . . . . . . 5362 1 583 . 1 1 130 130 PHE H H 1 9.400 0.012 . 1 . . . . . . . . 5362 1 584 . 1 1 130 130 PHE CA C 13 61.531 0.23 . 1 . . . . . . . . 5362 1 585 . 1 1 130 130 PHE CB C 13 38.671 0.23 . 1 . . . . . . . . 5362 1 586 . 1 1 130 130 PHE C C 13 176.739 0.11 . 1 . . . . . . . . 5362 1 587 . 1 1 131 131 ALA N N 15 120.477 0.22 . 1 . . . . . . . . 5362 1 588 . 1 1 131 131 ALA H H 1 8.039 0.012 . 1 . . . . . . . . 5362 1 589 . 1 1 131 131 ALA CA C 13 54.759 0.23 . 1 . . . . . . . . 5362 1 590 . 1 1 131 131 ALA CB C 13 16.512 0.23 . 1 . . . . . . . . 5362 1 591 . 1 1 131 131 ALA C C 13 178.125 0.11 . 1 . . . . . . . . 5362 1 592 . 1 1 132 132 ILE N N 15 119.153 0.22 . 1 . . . . . . . . 5362 1 593 . 1 1 132 132 ILE H H 1 7.672 0.012 . 1 . . . . . . . . 5362 1 594 . 1 1 132 132 ILE CA C 13 64.030 0.23 . 1 . . . . . . . . 5362 1 595 . 1 1 132 132 ILE CB C 13 35.548 0.23 . 1 . . . . . . . . 5362 1 596 . 1 1 132 132 ILE C C 13 177.592 0.11 . 1 . . . . . . . . 5362 1 597 . 1 1 133 133 GLY N N 15 108.514 0.22 . 1 . . . . . . . . 5362 1 598 . 1 1 133 133 GLY H H 1 8.253 0.012 . 1 . . . . . . . . 5362 1 599 . 1 1 133 133 GLY CA C 13 46.706 0.23 . 1 . . . . . . . . 5362 1 600 . 1 1 133 133 GLY C C 13 174.403 0.11 . 1 . . . . . . . . 5362 1 601 . 1 1 134 134 LYS N N 15 119.816 0.22 . 1 . . . . . . . . 5362 1 602 . 1 1 134 134 LYS H H 1 8.381 0.012 . 1 . . . . . . . . 5362 1 603 . 1 1 134 134 LYS CA C 13 58.998 0.23 . 1 . . . . . . . . 5362 1 604 . 1 1 134 134 LYS CB C 13 30.412 0.23 . 1 . . . . . . . . 5362 1 605 . 1 1 134 134 LYS C C 13 180.312 0.11 . 1 . . . . . . . . 5362 1 606 . 1 1 135 135 GLU N N 15 121.912 0.22 . 1 . . . . . . . . 5362 1 607 . 1 1 135 135 GLU H H 1 7.802 0.012 . 1 . . . . . . . . 5362 1 608 . 1 1 135 135 GLU CA C 13 57.552 0.23 . 1 . . . . . . . . 5362 1 609 . 1 1 135 135 GLU CB C 13 27.448 0.23 . 1 . . . . . . . . 5362 1 610 . 1 1 135 135 GLU C C 13 179.683 0.11 . 1 . . . . . . . . 5362 1 611 . 1 1 136 136 ALA N N 15 121.796 0.22 . 1 . . . . . . . . 5362 1 612 . 1 1 136 136 ALA H H 1 9.107 0.012 . 1 . . . . . . . . 5362 1 613 . 1 1 136 136 ALA CA C 13 53.530 0.23 . 1 . . . . . . . . 5362 1 614 . 1 1 136 136 ALA CB C 13 17.722 0.23 . 1 . . . . . . . . 5362 1 615 . 1 1 136 136 ALA C C 13 179.343 0.11 . 1 . . . . . . . . 5362 1 616 . 1 1 137 137 LEU N N 15 114.530 0.22 . 1 . . . . . . . . 5362 1 617 . 1 1 137 137 LEU H H 1 7.457 0.012 . 1 . . . . . . . . 5362 1 618 . 1 1 137 137 LEU CA C 13 57.326 0.23 . 1 . . . . . . . . 5362 1 619 . 1 1 137 137 LEU CB C 13 38.675 0.23 . 1 . . . . . . . . 5362 1 620 . 1 1 137 137 LEU C C 13 181.178 0.11 . 1 . . . . . . . . 5362 1 621 . 1 1 138 138 VAL N N 15 122.639 0.22 . 1 . . . . . . . . 5362 1 622 . 1 1 138 138 VAL H H 1 7.209 0.012 . 1 . . . . . . . . 5362 1 623 . 1 1 138 138 VAL CA C 13 65.167 0.23 . 1 . . . . . . . . 5362 1 624 . 1 1 138 138 VAL CB C 13 30.365 0.23 . 1 . . . . . . . . 5362 1 625 . 1 1 138 138 VAL C C 13 178.036 0.11 . 1 . . . . . . . . 5362 1 626 . 1 1 139 139 MET N N 15 119.248 0.22 . 1 . . . . . . . . 5362 1 627 . 1 1 139 139 MET H H 1 7.691 0.012 . 1 . . . . . . . . 5362 1 628 . 1 1 139 139 MET CA C 13 58.681 0.23 . 1 . . . . . . . . 5362 1 629 . 1 1 139 139 MET CB C 13 31.024 0.23 . 1 . . . . . . . . 5362 1 630 . 1 1 139 139 MET C C 13 179.944 0.11 . 1 . . . . . . . . 5362 1 631 . 1 1 140 140 VAL N N 15 118.568 0.22 . 1 . . . . . . . . 5362 1 632 . 1 1 140 140 VAL H H 1 8.776 0.012 . 1 . . . . . . . . 5362 1 633 . 1 1 140 140 VAL CA C 13 66.677 0.23 . 1 . . . . . . . . 5362 1 634 . 1 1 140 140 VAL CB C 13 30.845 0.23 . 1 . . . . . . . . 5362 1 635 . 1 1 140 140 VAL C C 13 179.528 0.11 . 1 . . . . . . . . 5362 1 636 . 1 1 141 141 LYS N N 15 125.974 0.22 . 1 . . . . . . . . 5362 1 637 . 1 1 141 141 LYS H H 1 7.877 0.012 . 1 . . . . . . . . 5362 1 638 . 1 1 141 141 LYS CA C 13 58.772 0.23 . 1 . . . . . . . . 5362 1 639 . 1 1 141 141 LYS CB C 13 30.583 0.23 . 1 . . . . . . . . 5362 1 640 . 1 1 141 141 LYS C C 13 179.569 0.11 . 1 . . . . . . . . 5362 1 641 . 1 1 142 142 ASN N N 15 118.559 0.22 . 1 . . . . . . . . 5362 1 642 . 1 1 142 142 ASN H H 1 8.591 0.012 . 1 . . . . . . . . 5362 1 643 . 1 1 142 142 ASN CA C 13 54.937 0.23 . 1 . . . . . . . . 5362 1 644 . 1 1 142 142 ASN CB C 13 36.779 0.23 . 1 . . . . . . . . 5362 1 645 . 1 1 142 142 ASN C C 13 176.888 0.11 . 1 . . . . . . . . 5362 1 646 . 1 1 143 143 LYS N N 15 115.895 0.22 . 1 . . . . . . . . 5362 1 647 . 1 1 143 143 LYS H H 1 7.806 0.012 . 1 . . . . . . . . 5362 1 648 . 1 1 143 143 LYS CA C 13 56.324 0.23 . 1 . . . . . . . . 5362 1 649 . 1 1 143 143 LYS CB C 13 31.689 0.23 . 1 . . . . . . . . 5362 1 650 . 1 1 143 143 LYS C C 13 177.524 0.11 . 1 . . . . . . . . 5362 1 651 . 1 1 144 144 THR CA C 13 61.276 0.23 . 1 . . . . . . . . 5362 1 652 . 1 1 144 144 THR C C 13 175.810 0.11 . 1 . . . . . . . . 5362 1 653 . 1 1 145 145 GLY N N 15 111.527 0.22 . 1 . . . . . . . . 5362 1 654 . 1 1 145 145 GLY H H 1 8.190 0.012 . 1 . . . . . . . . 5362 1 655 . 1 1 145 145 GLY CA C 13 44.826 0.23 . 1 . . . . . . . . 5362 1 656 . 1 1 145 145 GLY C C 13 173.721 0.11 . 1 . . . . . . . . 5362 1 657 . 1 1 146 146 VAL N N 15 123.080 0.22 . 1 . . . . . . . . 5362 1 658 . 1 1 146 146 VAL H H 1 7.857 0.012 . 1 . . . . . . . . 5362 1 659 . 1 1 146 146 VAL CA C 13 61.961 0.23 . 1 . . . . . . . . 5362 1 660 . 1 1 146 146 VAL CB C 13 31.331 0.23 . 1 . . . . . . . . 5362 1 661 . 1 1 146 146 VAL C C 13 175.308 0.11 . 1 . . . . . . . . 5362 1 662 . 1 1 147 147 SER N N 15 124.051 0.22 . 1 . . . . . . . . 5362 1 663 . 1 1 147 147 SER H H 1 8.762 0.012 . 1 . . . . . . . . 5362 1 664 . 1 1 147 147 SER CA C 13 55.791 0.23 . 1 . . . . . . . . 5362 1 665 . 1 1 147 147 SER CB C 13 61.560 0.23 . 1 . . . . . . . . 5362 1 666 . 1 1 147 147 SER C C 13 173.467 0.11 . 1 . . . . . . . . 5362 1 667 . 1 1 148 148 LEU N N 15 126.844 0.22 . 1 . . . . . . . . 5362 1 668 . 1 1 148 148 LEU H H 1 8.636 0.012 . 1 . . . . . . . . 5362 1 669 . 1 1 148 148 LEU CA C 13 51.486 0.23 . 1 . . . . . . . . 5362 1 670 . 1 1 148 148 LEU CB C 13 39.524 0.23 . 1 . . . . . . . . 5362 1 671 . 1 1 148 148 LEU C C 13 173.848 0.11 . 1 . . . . . . . . 5362 1 672 . 1 1 149 149 PRO CA C 13 61.710 0.23 . 1 . . . . . . . . 5362 1 673 . 1 1 149 149 PRO CB C 13 31.189 0.23 . 1 . . . . . . . . 5362 1 674 . 1 1 149 149 PRO C C 13 176.947 0.11 . 1 . . . . . . . . 5362 1 675 . 1 1 150 150 GLU N N 15 119.613 0.22 . 1 . . . . . . . . 5362 1 676 . 1 1 150 150 GLU H H 1 8.676 0.012 . 1 . . . . . . . . 5362 1 677 . 1 1 150 150 GLU CA C 13 58.487 0.23 . 1 . . . . . . . . 5362 1 678 . 1 1 150 150 GLU CB C 13 28.417 0.23 . 1 . . . . . . . . 5362 1 679 . 1 1 150 150 GLU C C 13 176.519 0.11 . 1 . . . . . . . . 5362 1 680 . 1 1 151 151 ASP N N 15 114.986 0.22 . 1 . . . . . . . . 5362 1 681 . 1 1 151 151 ASP H H 1 8.803 0.012 . 1 . . . . . . . . 5362 1 682 . 1 1 151 151 ASP CA C 13 54.903 0.23 . 1 . . . . . . . . 5362 1 683 . 1 1 151 151 ASP CB C 13 39.378 0.23 . 1 . . . . . . . . 5362 1 684 . 1 1 151 151 ASP C C 13 179.475 0.11 . 1 . . . . . . . . 5362 1 685 . 1 1 152 152 GLU N N 15 117.886 0.22 . 1 . . . . . . . . 5362 1 686 . 1 1 152 152 GLU H H 1 8.418 0.012 . 1 . . . . . . . . 5362 1 687 . 1 1 152 152 GLU CA C 13 57.877 0.23 . 1 . . . . . . . . 5362 1 688 . 1 1 152 152 GLU CB C 13 27.306 0.23 . 1 . . . . . . . . 5362 1 689 . 1 1 152 152 GLU C C 13 178.390 0.11 . 1 . . . . . . . . 5362 1 690 . 1 1 153 153 ALA N N 15 122.109 0.22 . 1 . . . . . . . . 5362 1 691 . 1 1 153 153 ALA H H 1 7.965 0.012 . 1 . . . . . . . . 5362 1 692 . 1 1 153 153 ALA CA C 13 54.885 0.23 . 1 . . . . . . . . 5362 1 693 . 1 1 153 153 ALA CB C 13 16.240 0.23 . 1 . . . . . . . . 5362 1 694 . 1 1 153 153 ALA C C 13 179.657 0.11 . 1 . . . . . . . . 5362 1 695 . 1 1 154 154 GLY N N 15 103.196 0.22 . 1 . . . . . . . . 5362 1 696 . 1 1 154 154 GLY H H 1 7.423 0.012 . 1 . . . . . . . . 5362 1 697 . 1 1 154 154 GLY CA C 13 45.751 0.23 . 1 . . . . . . . . 5362 1 698 . 1 1 154 154 GLY C C 13 174.545 0.11 . 1 . . . . . . . . 5362 1 699 . 1 1 155 155 PHE N N 15 119.585 0.22 . 1 . . . . . . . . 5362 1 700 . 1 1 155 155 PHE H H 1 7.455 0.012 . 1 . . . . . . . . 5362 1 701 . 1 1 155 155 PHE CA C 13 61.650 0.23 . 1 . . . . . . . . 5362 1 702 . 1 1 155 155 PHE CB C 13 38.671 0.23 . 1 . . . . . . . . 5362 1 703 . 1 1 155 155 PHE C C 13 178.168 0.11 . 1 . . . . . . . . 5362 1 704 . 1 1 156 156 ILE N N 15 117.199 0.22 . 1 . . . . . . . . 5362 1 705 . 1 1 156 156 ILE H H 1 8.283 0.012 . 1 . . . . . . . . 5362 1 706 . 1 1 156 156 ILE CA C 13 65.371 0.23 . 1 . . . . . . . . 5362 1 707 . 1 1 156 156 ILE CB C 13 36.625 0.23 . 1 . . . . . . . . 5362 1 708 . 1 1 156 156 ILE C C 13 177.833 0.11 . 1 . . . . . . . . 5362 1 709 . 1 1 157 157 ALA N N 15 120.084 0.22 . 1 . . . . . . . . 5362 1 710 . 1 1 157 157 ALA H H 1 7.988 0.012 . 1 . . . . . . . . 5362 1 711 . 1 1 157 157 ALA CA C 13 55.132 0.23 . 1 . . . . . . . . 5362 1 712 . 1 1 157 157 ALA CB C 13 15.645 0.23 . 1 . . . . . . . . 5362 1 713 . 1 1 157 157 ALA C C 13 178.919 0.11 . 1 . . . . . . . . 5362 1 714 . 1 1 158 158 LEU N N 15 113.505 0.22 . 1 . . . . . . . . 5362 1 715 . 1 1 158 158 LEU H H 1 7.806 0.012 . 1 . . . . . . . . 5362 1 716 . 1 1 158 158 LEU CA C 13 56.943 0.23 . 1 . . . . . . . . 5362 1 717 . 1 1 158 158 LEU CB C 13 40.116 0.23 . 1 . . . . . . . . 5362 1 718 . 1 1 158 158 LEU C C 13 181.214 0.11 . 1 . . . . . . . . 5362 1 719 . 1 1 159 159 HIS N N 15 120.742 0.22 . 1 . . . . . . . . 5362 1 720 . 1 1 159 159 HIS H H 1 7.844 0.012 . 1 . . . . . . . . 5362 1 721 . 1 1 159 159 HIS CA C 13 60.901 0.23 . 1 . . . . . . . . 5362 1 722 . 1 1 159 159 HIS CB C 13 31.314 0.23 . 1 . . . . . . . . 5362 1 723 . 1 1 159 159 HIS C C 13 177.871 0.11 . 1 . . . . . . . . 5362 1 724 . 1 1 160 160 ILE N N 15 121.358 0.22 . 1 . . . . . . . . 5362 1 725 . 1 1 160 160 ILE H H 1 8.052 0.012 . 1 . . . . . . . . 5362 1 726 . 1 1 160 160 ILE CA C 13 64.843 0.23 . 1 . . . . . . . . 5362 1 727 . 1 1 160 160 ILE CB C 13 36.167 0.23 . 1 . . . . . . . . 5362 1 728 . 1 1 160 160 ILE C C 13 177.498 0.11 . 1 . . . . . . . . 5362 1 729 . 1 1 161 161 VAL N N 15 119.567 0.22 . 1 . . . . . . . . 5362 1 730 . 1 1 161 161 VAL H H 1 8.429 0.012 . 1 . . . . . . . . 5362 1 731 . 1 1 161 161 VAL CA C 13 65.598 0.23 . 1 . . . . . . . . 5362 1 732 . 1 1 161 161 VAL CB C 13 30.508 0.23 . 1 . . . . . . . . 5362 1 733 . 1 1 161 161 VAL C C 13 176.970 0.11 . 1 . . . . . . . . 5362 1 734 . 1 1 162 162 ASN N N 15 118.085 0.22 . 1 . . . . . . . . 5362 1 735 . 1 1 162 162 ASN H H 1 7.542 0.012 . 1 . . . . . . . . 5362 1 736 . 1 1 162 162 ASN CA C 13 56.585 0.23 . 1 . . . . . . . . 5362 1 737 . 1 1 162 162 ASN CB C 13 38.742 0.23 . 1 . . . . . . . . 5362 1 738 . 1 1 162 162 ASN C C 13 176.708 0.11 . 1 . . . . . . . . 5362 1 739 . 1 1 163 163 ALA N N 15 120.699 0.22 . 1 . . . . . . . . 5362 1 740 . 1 1 163 163 ALA H H 1 7.797 0.012 . 1 . . . . . . . . 5362 1 741 . 1 1 163 163 ALA CA C 13 53.780 0.23 . 1 . . . . . . . . 5362 1 742 . 1 1 163 163 ALA CB C 13 18.844 0.23 . 1 . . . . . . . . 5362 1 743 . 1 1 163 163 ALA C C 13 180.854 0.11 . 1 . . . . . . . . 5362 1 744 . 1 1 164 164 GLU N N 15 121.098 0.22 . 1 . . . . . . . . 5362 1 745 . 1 1 164 164 GLU H H 1 8.490 0.012 . 1 . . . . . . . . 5362 1 746 . 1 1 164 164 GLU CA C 13 58.186 0.23 . 1 . . . . . . . . 5362 1 747 . 1 1 164 164 GLU CB C 13 29.300 0.23 . 1 . . . . . . . . 5362 1 748 . 1 1 164 164 GLU C C 13 179.091 0.11 . 1 . . . . . . . . 5362 1 749 . 1 1 165 165 LEU N N 15 121.165 0.22 . 1 . . . . . . . . 5362 1 750 . 1 1 165 165 LEU H H 1 8.567 0.012 . 1 . . . . . . . . 5362 1 751 . 1 1 165 165 LEU CA C 13 56.941 0.23 . 1 . . . . . . . . 5362 1 752 . 1 1 165 165 LEU CB C 13 40.953 0.23 . 1 . . . . . . . . 5362 1 753 . 1 1 165 165 LEU C C 13 178.663 0.11 . 1 . . . . . . . . 5362 1 754 . 1 1 166 166 ASN N N 15 115.353 0.22 . 1 . . . . . . . . 5362 1 755 . 1 1 166 166 ASN H H 1 8.356 0.012 . 1 . . . . . . . . 5362 1 756 . 1 1 166 166 ASN CA C 13 54.396 0.23 . 1 . . . . . . . . 5362 1 757 . 1 1 166 166 ASN CB C 13 37.551 0.23 . 1 . . . . . . . . 5362 1 758 . 1 1 166 166 ASN C C 13 176.970 0.11 . 1 . . . . . . . . 5362 1 759 . 1 1 167 167 GLU N N 15 119.875 0.22 . 1 . . . . . . . . 5362 1 760 . 1 1 167 167 GLU H H 1 7.533 0.012 . 1 . . . . . . . . 5362 1 761 . 1 1 167 167 GLU CA C 13 56.971 0.23 . 1 . . . . . . . . 5362 1 762 . 1 1 167 167 GLU CB C 13 28.540 0.23 . 1 . . . . . . . . 5362 1 763 . 1 1 167 167 GLU C C 13 177.548 0.11 . 1 . . . . . . . . 5362 1 764 . 1 1 168 168 LEU N N 15 119.226 0.22 . 1 . . . . . . . . 5362 1 765 . 1 1 168 168 LEU H H 1 7.810 0.012 . 1 . . . . . . . . 5362 1 766 . 1 1 168 168 LEU CA C 13 55.603 0.23 . 1 . . . . . . . . 5362 1 767 . 1 1 168 168 LEU CB C 13 41.474 0.23 . 1 . . . . . . . . 5362 1 768 . 1 1 168 168 LEU C C 13 178.296 0.11 . 1 . . . . . . . . 5362 1 769 . 1 1 169 169 GLN N N 15 117.322 0.22 . 1 . . . . . . . . 5362 1 770 . 1 1 169 169 GLN H H 1 8.077 0.012 . 1 . . . . . . . . 5362 1 771 . 1 1 169 169 GLN CA C 13 55.726 0.23 . 1 . . . . . . . . 5362 1 772 . 1 1 169 169 GLN CB C 13 27.954 0.23 . 1 . . . . . . . . 5362 1 773 . 1 1 169 169 GLN C C 13 176.361 0.11 . 1 . . . . . . . . 5362 1 774 . 1 1 170 170 HIS N N 15 117.913 0.22 . 1 . . . . . . . . 5362 1 775 . 1 1 170 170 HIS H H 1 7.962 0.012 . 1 . . . . . . . . 5362 1 776 . 1 1 170 170 HIS CA C 13 55.398 0.23 . 1 . . . . . . . . 5362 1 777 . 1 1 170 170 HIS CB C 13 28.618 0.23 . 1 . . . . . . . . 5362 1 778 . 1 1 170 170 HIS C C 13 173.973 0.11 . 1 . . . . . . . . 5362 1 779 . 1 1 171 171 HIS N N 15 125.138 0.22 . 1 . . . . . . . . 5362 1 780 . 1 1 171 171 HIS H H 1 8.241 0.012 . 1 . . . . . . . . 5362 1 781 . 1 1 171 171 HIS CA C 13 56.487 0.23 . 1 . . . . . . . . 5362 1 782 . 1 1 171 171 HIS CB C 13 29.010 0.23 . 1 . . . . . . . . 5362 1 783 . 1 1 171 171 HIS C C 13 179.126 0.11 . 1 . . . . . . . . 5362 1 784 . 1 1 172 172 HIS N N 15 125.138 0.22 . 1 . . . . . . . . 5362 1 785 . 1 1 172 172 HIS H H 1 8.241 0.012 . 1 . . . . . . . . 5362 1 786 . 1 1 172 172 HIS CA C 13 56.487 0.23 . 1 . . . . . . . . 5362 1 787 . 1 1 172 172 HIS CB C 13 29.010 0.23 . 1 . . . . . . . . 5362 1 788 . 1 1 172 172 HIS C C 13 179.126 0.11 . 1 . . . . . . . . 5362 1 789 . 1 1 173 173 HIS N N 15 125.138 0.22 . 1 . . . . . . . . 5362 1 790 . 1 1 173 173 HIS H H 1 8.241 0.012 . 1 . . . . . . . . 5362 1 791 . 1 1 173 173 HIS CA C 13 56.487 0.23 . 1 . . . . . . . . 5362 1 792 . 1 1 173 173 HIS CB C 13 29.010 0.23 . 1 . . . . . . . . 5362 1 793 . 1 1 173 173 HIS C C 13 179.126 0.11 . 1 . . . . . . . . 5362 1 794 . 1 1 174 174 HIS N N 15 125.138 0.22 . 1 . . . . . . . . 5362 1 795 . 1 1 174 174 HIS H H 1 8.241 0.012 . 1 . . . . . . . . 5362 1 796 . 1 1 174 174 HIS CA C 13 56.487 0.23 . 1 . . . . . . . . 5362 1 797 . 1 1 174 174 HIS CB C 13 29.010 0.23 . 1 . . . . . . . . 5362 1 798 . 1 1 174 174 HIS C C 13 179.126 0.11 . 1 . . . . . . . . 5362 1 799 . 1 1 175 175 HIS N N 15 125.138 0.22 . 1 . . . . . . . . 5362 1 800 . 1 1 175 175 HIS H H 1 8.241 0.012 . 1 . . . . . . . . 5362 1 801 . 1 1 175 175 HIS CA C 13 56.487 0.23 . 1 . . . . . . . . 5362 1 802 . 1 1 175 175 HIS CB C 13 29.010 0.23 . 1 . . . . . . . . 5362 1 803 . 1 1 175 175 HIS C C 13 179.126 0.11 . 1 . . . . . . . . 5362 1 stop_ save_