data_5793 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5793 _Entry.Title ; Backbone 1H, 15N, 13C and side chain 13Cb assignment of a 42 kDa RecR homodimer ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-05-07 _Entry.Accession_date 2003-05-07 _Entry.Last_release_date 2004-02-11 _Entry.Original_release_date 2004-02-11 _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 Masayoshi Honda . . . 5793 2 Yutaka Ito . . . 5793 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5793 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 549 5793 '15N chemical shifts' 177 5793 '1H chemical shifts' 177 5793 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 . . 2004-02-11 2003-05-07 original author . 5793 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5793 _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: Backbone 1H, 13C, 15N assignments of a 42 kDa RecR homodimer' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 199 _Citation.Page_last 200 _Citation.Year 2004 _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 Masayoshi Honda . . . 5793 1 2 Sundaresan Rajesh . . . 5793 1 3 Daniel Nietlispach . . . 5793 1 4 Tsutomu Mikawa . . . 5793 1 5 Takehiko Shibata . . . 5793 1 6 Yutaka Ito . . . 5793 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RecR _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RecR _Assembly.Entry_ID 5793 _Assembly.ID 1 _Assembly.Name 'RecR dimer' _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 'not reported' _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 5793 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 'RecR subunit 1' 1 $RecR_monomer . . . native . . 1 . . 5793 1 2 'RecR subunit 2' 1 $RecR_monomer . . . native . . 1 . . 5793 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID RecR abbreviation 5793 1 'RecR dimer' system 5793 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RecR_monomer _Entity.Sf_category entity _Entity.Sf_framecode RecR_monomer _Entity.Entry_ID 5793 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Thermus thermophilus HB8 RecR' _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 ; MRYPESLLKLTRALSRLPGI GPKTAQRLALHLAFHKEEAE ALAEALEGIKRVRACRECGN LAEGELCPICQDEDRDRSLL AVVESVADLYALERSGEFRG LYHVLGGALNPLEGIGPKEL NLEGLFRRLEGVEEVVLATS MTVEGEATALYLAEELKKRG VRVTRPAYGLPVGGSLEYAD EVTLGRALEGRRPV ; _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 194 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21192.5 _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 DBJ BAD71423 . "RecR protein [Thermus thermophilus HB8]" . . . . . 100.00 194 100.00 100.00 3.43e-130 . . . . 5793 1 2 no GB AAS81578 . "recombination protein recR [Thermus thermophilus HB27]" . . . . . 100.00 194 99.48 100.00 1.19e-129 . . . . 5793 1 3 no GB AEG34015 . "recombination protein RecR [Thermus thermophilus SG0.5JP17-16]" . . . . . 100.00 194 99.48 100.00 1.19e-129 . . . . 5793 1 4 no GB AFH38354 . "recombination protein RecR [Thermus thermophilus JL-18]" . . . . . 100.00 194 98.97 100.00 2.77e-129 . . . . 5793 1 5 no GB EIA38760 . "recombination protein RecR [Thermus sp. RL]" . . . . . 100.00 194 99.48 100.00 1.19e-129 . . . . 5793 1 6 no REF WP_008633233 . "MULTISPECIES: recombinase RecR [Thermus]" . . . . . 100.00 194 99.48 100.00 1.19e-129 . . . . 5793 1 7 no REF WP_011228798 . "recombinase RecR [Thermus thermophilus]" . . . . . 100.00 194 100.00 100.00 3.43e-130 . . . . 5793 1 8 no REF WP_014629118 . "recombinase RecR [Thermus thermophilus]" . . . . . 100.00 194 98.97 100.00 2.77e-129 . . . . 5793 1 9 no REF YP_005205 . "recombination protein RecR [Thermus thermophilus HB27]" . . . . . 100.00 194 99.48 100.00 1.19e-129 . . . . 5793 1 10 no REF YP_005641142 . "recombination protein RecR [Thermus thermophilus SG0.5JP17-16]" . . . . . 100.00 194 99.48 100.00 1.19e-129 . . . . 5793 1 11 no SP Q5SHY0 . "RecName: Full=Recombination protein RecR [Thermus thermophilus HB8]" . . . . . 100.00 194 100.00 100.00 3.43e-130 . . . . 5793 1 12 no SP Q72I96 . "RecName: Full=Recombination protein RecR [Thermus thermophilus HB27]" . . . . . 100.00 194 99.48 100.00 1.19e-129 . . . . 5793 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Thermus thermophilus HB8 RecR' common 5793 1 ttRecR abbreviation 5793 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 . 5793 1 2 . ARG . 5793 1 3 . TYR . 5793 1 4 . PRO . 5793 1 5 . GLU . 5793 1 6 . SER . 5793 1 7 . LEU . 5793 1 8 . LEU . 5793 1 9 . LYS . 5793 1 10 . LEU . 5793 1 11 . THR . 5793 1 12 . ARG . 5793 1 13 . ALA . 5793 1 14 . LEU . 5793 1 15 . SER . 5793 1 16 . ARG . 5793 1 17 . LEU . 5793 1 18 . PRO . 5793 1 19 . GLY . 5793 1 20 . ILE . 5793 1 21 . GLY . 5793 1 22 . PRO . 5793 1 23 . LYS . 5793 1 24 . THR . 5793 1 25 . ALA . 5793 1 26 . GLN . 5793 1 27 . ARG . 5793 1 28 . LEU . 5793 1 29 . ALA . 5793 1 30 . LEU . 5793 1 31 . HIS . 5793 1 32 . LEU . 5793 1 33 . ALA . 5793 1 34 . PHE . 5793 1 35 . HIS . 5793 1 36 . LYS . 5793 1 37 . GLU . 5793 1 38 . GLU . 5793 1 39 . ALA . 5793 1 40 . GLU . 5793 1 41 . ALA . 5793 1 42 . LEU . 5793 1 43 . ALA . 5793 1 44 . GLU . 5793 1 45 . ALA . 5793 1 46 . LEU . 5793 1 47 . GLU . 5793 1 48 . GLY . 5793 1 49 . ILE . 5793 1 50 . LYS . 5793 1 51 . ARG . 5793 1 52 . VAL . 5793 1 53 . ARG . 5793 1 54 . ALA . 5793 1 55 . CYS . 5793 1 56 . ARG . 5793 1 57 . GLU . 5793 1 58 . CYS . 5793 1 59 . GLY . 5793 1 60 . ASN . 5793 1 61 . LEU . 5793 1 62 . ALA . 5793 1 63 . GLU . 5793 1 64 . GLY . 5793 1 65 . GLU . 5793 1 66 . LEU . 5793 1 67 . CYS . 5793 1 68 . PRO . 5793 1 69 . ILE . 5793 1 70 . CYS . 5793 1 71 . GLN . 5793 1 72 . ASP . 5793 1 73 . GLU . 5793 1 74 . ASP . 5793 1 75 . ARG . 5793 1 76 . ASP . 5793 1 77 . ARG . 5793 1 78 . SER . 5793 1 79 . LEU . 5793 1 80 . LEU . 5793 1 81 . ALA . 5793 1 82 . VAL . 5793 1 83 . VAL . 5793 1 84 . GLU . 5793 1 85 . SER . 5793 1 86 . VAL . 5793 1 87 . ALA . 5793 1 88 . ASP . 5793 1 89 . LEU . 5793 1 90 . TYR . 5793 1 91 . ALA . 5793 1 92 . LEU . 5793 1 93 . GLU . 5793 1 94 . ARG . 5793 1 95 . SER . 5793 1 96 . GLY . 5793 1 97 . GLU . 5793 1 98 . PHE . 5793 1 99 . ARG . 5793 1 100 . GLY . 5793 1 101 . LEU . 5793 1 102 . TYR . 5793 1 103 . HIS . 5793 1 104 . VAL . 5793 1 105 . LEU . 5793 1 106 . GLY . 5793 1 107 . GLY . 5793 1 108 . ALA . 5793 1 109 . LEU . 5793 1 110 . ASN . 5793 1 111 . PRO . 5793 1 112 . LEU . 5793 1 113 . GLU . 5793 1 114 . GLY . 5793 1 115 . ILE . 5793 1 116 . GLY . 5793 1 117 . PRO . 5793 1 118 . LYS . 5793 1 119 . GLU . 5793 1 120 . LEU . 5793 1 121 . ASN . 5793 1 122 . LEU . 5793 1 123 . GLU . 5793 1 124 . GLY . 5793 1 125 . LEU . 5793 1 126 . PHE . 5793 1 127 . ARG . 5793 1 128 . ARG . 5793 1 129 . LEU . 5793 1 130 . GLU . 5793 1 131 . GLY . 5793 1 132 . VAL . 5793 1 133 . GLU . 5793 1 134 . GLU . 5793 1 135 . VAL . 5793 1 136 . VAL . 5793 1 137 . LEU . 5793 1 138 . ALA . 5793 1 139 . THR . 5793 1 140 . SER . 5793 1 141 . MET . 5793 1 142 . THR . 5793 1 143 . VAL . 5793 1 144 . GLU . 5793 1 145 . GLY . 5793 1 146 . GLU . 5793 1 147 . ALA . 5793 1 148 . THR . 5793 1 149 . ALA . 5793 1 150 . LEU . 5793 1 151 . TYR . 5793 1 152 . LEU . 5793 1 153 . ALA . 5793 1 154 . GLU . 5793 1 155 . GLU . 5793 1 156 . LEU . 5793 1 157 . LYS . 5793 1 158 . LYS . 5793 1 159 . ARG . 5793 1 160 . GLY . 5793 1 161 . VAL . 5793 1 162 . ARG . 5793 1 163 . VAL . 5793 1 164 . THR . 5793 1 165 . ARG . 5793 1 166 . PRO . 5793 1 167 . ALA . 5793 1 168 . TYR . 5793 1 169 . GLY . 5793 1 170 . LEU . 5793 1 171 . PRO . 5793 1 172 . VAL . 5793 1 173 . GLY . 5793 1 174 . GLY . 5793 1 175 . SER . 5793 1 176 . LEU . 5793 1 177 . GLU . 5793 1 178 . TYR . 5793 1 179 . ALA . 5793 1 180 . ASP . 5793 1 181 . GLU . 5793 1 182 . VAL . 5793 1 183 . THR . 5793 1 184 . LEU . 5793 1 185 . GLY . 5793 1 186 . ARG . 5793 1 187 . ALA . 5793 1 188 . LEU . 5793 1 189 . GLU . 5793 1 190 . GLY . 5793 1 191 . ARG . 5793 1 192 . ARG . 5793 1 193 . PRO . 5793 1 194 . VAL . 5793 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 5793 1 . ARG 2 2 5793 1 . TYR 3 3 5793 1 . PRO 4 4 5793 1 . GLU 5 5 5793 1 . SER 6 6 5793 1 . LEU 7 7 5793 1 . LEU 8 8 5793 1 . LYS 9 9 5793 1 . LEU 10 10 5793 1 . THR 11 11 5793 1 . ARG 12 12 5793 1 . ALA 13 13 5793 1 . LEU 14 14 5793 1 . SER 15 15 5793 1 . ARG 16 16 5793 1 . LEU 17 17 5793 1 . PRO 18 18 5793 1 . GLY 19 19 5793 1 . ILE 20 20 5793 1 . GLY 21 21 5793 1 . PRO 22 22 5793 1 . LYS 23 23 5793 1 . THR 24 24 5793 1 . ALA 25 25 5793 1 . GLN 26 26 5793 1 . ARG 27 27 5793 1 . LEU 28 28 5793 1 . ALA 29 29 5793 1 . LEU 30 30 5793 1 . HIS 31 31 5793 1 . LEU 32 32 5793 1 . ALA 33 33 5793 1 . PHE 34 34 5793 1 . HIS 35 35 5793 1 . LYS 36 36 5793 1 . GLU 37 37 5793 1 . GLU 38 38 5793 1 . ALA 39 39 5793 1 . GLU 40 40 5793 1 . ALA 41 41 5793 1 . LEU 42 42 5793 1 . ALA 43 43 5793 1 . GLU 44 44 5793 1 . ALA 45 45 5793 1 . LEU 46 46 5793 1 . GLU 47 47 5793 1 . GLY 48 48 5793 1 . ILE 49 49 5793 1 . LYS 50 50 5793 1 . ARG 51 51 5793 1 . VAL 52 52 5793 1 . ARG 53 53 5793 1 . ALA 54 54 5793 1 . CYS 55 55 5793 1 . ARG 56 56 5793 1 . GLU 57 57 5793 1 . CYS 58 58 5793 1 . GLY 59 59 5793 1 . ASN 60 60 5793 1 . LEU 61 61 5793 1 . ALA 62 62 5793 1 . GLU 63 63 5793 1 . GLY 64 64 5793 1 . GLU 65 65 5793 1 . LEU 66 66 5793 1 . CYS 67 67 5793 1 . PRO 68 68 5793 1 . ILE 69 69 5793 1 . CYS 70 70 5793 1 . GLN 71 71 5793 1 . ASP 72 72 5793 1 . GLU 73 73 5793 1 . ASP 74 74 5793 1 . ARG 75 75 5793 1 . ASP 76 76 5793 1 . ARG 77 77 5793 1 . SER 78 78 5793 1 . LEU 79 79 5793 1 . LEU 80 80 5793 1 . ALA 81 81 5793 1 . VAL 82 82 5793 1 . VAL 83 83 5793 1 . GLU 84 84 5793 1 . SER 85 85 5793 1 . VAL 86 86 5793 1 . ALA 87 87 5793 1 . ASP 88 88 5793 1 . LEU 89 89 5793 1 . TYR 90 90 5793 1 . ALA 91 91 5793 1 . LEU 92 92 5793 1 . GLU 93 93 5793 1 . ARG 94 94 5793 1 . SER 95 95 5793 1 . GLY 96 96 5793 1 . GLU 97 97 5793 1 . PHE 98 98 5793 1 . ARG 99 99 5793 1 . GLY 100 100 5793 1 . LEU 101 101 5793 1 . TYR 102 102 5793 1 . HIS 103 103 5793 1 . VAL 104 104 5793 1 . LEU 105 105 5793 1 . GLY 106 106 5793 1 . GLY 107 107 5793 1 . ALA 108 108 5793 1 . LEU 109 109 5793 1 . ASN 110 110 5793 1 . PRO 111 111 5793 1 . LEU 112 112 5793 1 . GLU 113 113 5793 1 . GLY 114 114 5793 1 . ILE 115 115 5793 1 . GLY 116 116 5793 1 . PRO 117 117 5793 1 . LYS 118 118 5793 1 . GLU 119 119 5793 1 . LEU 120 120 5793 1 . ASN 121 121 5793 1 . LEU 122 122 5793 1 . GLU 123 123 5793 1 . GLY 124 124 5793 1 . LEU 125 125 5793 1 . PHE 126 126 5793 1 . ARG 127 127 5793 1 . ARG 128 128 5793 1 . LEU 129 129 5793 1 . GLU 130 130 5793 1 . GLY 131 131 5793 1 . VAL 132 132 5793 1 . GLU 133 133 5793 1 . GLU 134 134 5793 1 . VAL 135 135 5793 1 . VAL 136 136 5793 1 . LEU 137 137 5793 1 . ALA 138 138 5793 1 . THR 139 139 5793 1 . SER 140 140 5793 1 . MET 141 141 5793 1 . THR 142 142 5793 1 . VAL 143 143 5793 1 . GLU 144 144 5793 1 . GLY 145 145 5793 1 . GLU 146 146 5793 1 . ALA 147 147 5793 1 . THR 148 148 5793 1 . ALA 149 149 5793 1 . LEU 150 150 5793 1 . TYR 151 151 5793 1 . LEU 152 152 5793 1 . ALA 153 153 5793 1 . GLU 154 154 5793 1 . GLU 155 155 5793 1 . LEU 156 156 5793 1 . LYS 157 157 5793 1 . LYS 158 158 5793 1 . ARG 159 159 5793 1 . GLY 160 160 5793 1 . VAL 161 161 5793 1 . ARG 162 162 5793 1 . VAL 163 163 5793 1 . THR 164 164 5793 1 . ARG 165 165 5793 1 . PRO 166 166 5793 1 . ALA 167 167 5793 1 . TYR 168 168 5793 1 . GLY 169 169 5793 1 . LEU 170 170 5793 1 . PRO 171 171 5793 1 . VAL 172 172 5793 1 . GLY 173 173 5793 1 . GLY 174 174 5793 1 . SER 175 175 5793 1 . LEU 176 176 5793 1 . GLU 177 177 5793 1 . TYR 178 178 5793 1 . ALA 179 179 5793 1 . ASP 180 180 5793 1 . GLU 181 181 5793 1 . VAL 182 182 5793 1 . THR 183 183 5793 1 . LEU 184 184 5793 1 . GLY 185 185 5793 1 . ARG 186 186 5793 1 . ALA 187 187 5793 1 . LEU 188 188 5793 1 . GLU 189 189 5793 1 . GLY 190 190 5793 1 . ARG 191 191 5793 1 . ARG 192 192 5793 1 . PRO 193 193 5793 1 . VAL 194 194 5793 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 5793 _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 $RecR_monomer . 274 . . 'Thermus thermophilus' 'Thermus thermophilus' . . Eubacteria . Thermus thermophilus HB8 . . . . . . . . . . . . . . . . . . . . 5793 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 5793 _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 $RecR_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5793 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5793 _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 'Thermus thermophilus HB8 RecR' '[U-98% 2H; U-98% 13C; U-98% 15N]' . . 1 $RecR_monomer . . 0.6 . . mM . . . . 5793 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_set_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_set_1 _Sample_condition_list.Entry_ID 5793 _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 7.2 0.2 na 5793 1 temperature 318 1 K 5793 1 stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 5793 _Software.ID 1 _Software.Name AZARA _Software.Version 2.7 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5793 1 stop_ save_ save_ANSIG_for_OpenGL _Software.Sf_category software _Software.Sf_framecode ANSIG_for_OpenGL _Software.Entry_ID 5793 _Software.ID 2 _Software.Name 'ANSIG for OpenGL' _Software.Version 1.0.5 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignments' 5793 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5793 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5793 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer BRUKER DRX . 600 . . . 5793 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 5793 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5793 1 2 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5793 1 3 '3D HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5793 1 4 '3D HN(CA)CB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5793 1 5 '3D HN(COCA)CB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5793 1 6 '3D HN(CA)CO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5793 1 7 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5793 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 5793 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 'All 3D experiments for backbone assignments are TROSY versions.' 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 5793 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 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 'All 3D experiments for backbone assignments are TROSY versions.' 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 5793 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 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 'All 3D experiments for backbone assignments are TROSY versions.' 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 5793 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HN(CA)CB' _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 'All 3D experiments for backbone assignments are TROSY versions.' 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 5793 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HN(COCA)CB' _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 'All 3D experiments for backbone assignments are TROSY versions.' 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 5793 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D 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 'All 3D experiments for backbone assignments are TROSY versions.' 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 5793 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 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 'All 3D experiments for backbone assignments are TROSY versions.' 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 5793 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5793 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5793 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5793 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 5793 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set_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 . _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 HSQC' 1 $sample_1 . 5793 1 2 '3D HNCA' 1 $sample_1 . 5793 1 3 '3D HN(CO)CA' 1 $sample_1 . 5793 1 4 '3D HN(CA)CB' 1 $sample_1 . 5793 1 5 '3D HN(COCA)CB' 1 $sample_1 . 5793 1 6 '3D HN(CA)CO' 1 $sample_1 . 5793 1 7 '3D HNCO' 1 $sample_1 . 5793 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ARG CA C 13 54.97 0.025 . 1 . . . . . . . . 5793 1 2 . 1 1 2 2 ARG C C 13 174.65 0.025 . 1 . . . . . . . . 5793 1 3 . 1 1 2 2 ARG CB C 13 30.14 0.025 . 1 . . . . . . . . 5793 1 4 . 1 1 3 3 TYR H H 1 7.97 0.025 . 1 . . . . . . . . 5793 1 5 . 1 1 3 3 TYR N N 15 123.86 0.025 . 1 . . . . . . . . 5793 1 6 . 1 1 3 3 TYR CA C 13 55.07 0.025 . 1 . . . . . . . . 5793 1 7 . 1 1 3 3 TYR C C 13 174.06 0.025 . 1 . . . . . . . . 5793 1 8 . 1 1 3 3 TYR CB C 13 38.62 0.025 . 1 . . . . . . . . 5793 1 9 . 1 1 4 4 PRO CA C 13 62.62 0.025 . 1 . . . . . . . . 5793 1 10 . 1 1 4 4 PRO C C 13 177.61 0.025 . 1 . . . . . . . . 5793 1 11 . 1 1 4 4 PRO CB C 13 30.60 0.025 . 1 . . . . . . . . 5793 1 12 . 1 1 5 5 GLU H H 1 9.03 0.025 . 1 . . . . . . . . 5793 1 13 . 1 1 5 5 GLU N N 15 131.12 0.025 . 1 . . . . . . . . 5793 1 14 . 1 1 5 5 GLU CA C 13 59.72 0.025 . 1 . . . . . . . . 5793 1 15 . 1 1 5 5 GLU C C 13 178.95 0.025 . 1 . . . . . . . . 5793 1 16 . 1 1 5 5 GLU CB C 13 28.75 0.025 . 1 . . . . . . . . 5793 1 17 . 1 1 6 6 SER CA C 13 61.45 0.025 . 1 . . . . . . . . 5793 1 18 . 1 1 6 6 SER C C 13 177.92 0.025 . 1 . . . . . . . . 5793 1 19 . 1 1 7 7 LEU H H 1 6.75 0.025 . 1 . . . . . . . . 5793 1 20 . 1 1 7 7 LEU N N 15 125.38 0.025 . 1 . . . . . . . . 5793 1 21 . 1 1 7 7 LEU CA C 13 56.71 0.025 . 1 . . . . . . . . 5793 1 22 . 1 1 7 7 LEU C C 13 179.45 0.025 . 1 . . . . . . . . 5793 1 23 . 1 1 7 7 LEU CB C 13 41.76 0.025 . 1 . . . . . . . . 5793 1 24 . 1 1 8 8 LEU H H 1 7.72 0.025 . 1 . . . . . . . . 5793 1 25 . 1 1 8 8 LEU N N 15 125.96 0.025 . 1 . . . . . . . . 5793 1 26 . 1 1 8 8 LEU CA C 13 57.74 0.025 . 1 . . . . . . . . 5793 1 27 . 1 1 8 8 LEU C C 13 179.12 0.025 . 1 . . . . . . . . 5793 1 28 . 1 1 8 8 LEU CB C 13 40.12 0.025 . 1 . . . . . . . . 5793 1 29 . 1 1 9 9 LYS H H 1 8.25 0.025 . 1 . . . . . . . . 5793 1 30 . 1 1 9 9 LYS N N 15 121.39 0.025 . 1 . . . . . . . . 5793 1 31 . 1 1 9 9 LYS CA C 13 59.72 0.025 . 1 . . . . . . . . 5793 1 32 . 1 1 9 9 LYS C C 13 179.66 0.025 . 1 . . . . . . . . 5793 1 33 . 1 1 9 9 LYS CB C 13 31.39 0.025 . 1 . . . . . . . . 5793 1 34 . 1 1 10 10 LEU H H 1 7.26 0.025 . 1 . . . . . . . . 5793 1 35 . 1 1 10 10 LEU N N 15 121.99 0.025 . 1 . . . . . . . . 5793 1 36 . 1 1 10 10 LEU CA C 13 57.24 0.025 . 1 . . . . . . . . 5793 1 37 . 1 1 10 10 LEU C C 13 177.23 0.025 . 1 . . . . . . . . 5793 1 38 . 1 1 10 10 LEU CB C 13 40.56 0.025 . 1 . . . . . . . . 5793 1 39 . 1 1 11 11 THR H H 1 8.21 0.025 . 1 . . . . . . . . 5793 1 40 . 1 1 11 11 THR N N 15 118.87 0.025 . 1 . . . . . . . . 5793 1 41 . 1 1 11 11 THR CA C 13 67.26 0.025 . 1 . . . . . . . . 5793 1 42 . 1 1 11 11 THR C C 13 176.88 0.025 . 1 . . . . . . . . 5793 1 43 . 1 1 12 12 ARG H H 1 8.17 0.025 . 1 . . . . . . . . 5793 1 44 . 1 1 12 12 ARG N N 15 123.70 0.025 . 1 . . . . . . . . 5793 1 45 . 1 1 12 12 ARG CA C 13 59.23 0.025 . 1 . . . . . . . . 5793 1 46 . 1 1 12 12 ARG C C 13 178.69 0.025 . 1 . . . . . . . . 5793 1 47 . 1 1 12 12 ARG CB C 13 29.11 0.025 . 1 . . . . . . . . 5793 1 48 . 1 1 13 13 ALA H H 1 7.46 0.025 . 1 . . . . . . . . 5793 1 49 . 1 1 13 13 ALA N N 15 123.02 0.025 . 1 . . . . . . . . 5793 1 50 . 1 1 13 13 ALA CA C 13 54.56 0.025 . 1 . . . . . . . . 5793 1 51 . 1 1 13 13 ALA C C 13 180.26 0.025 . 1 . . . . . . . . 5793 1 52 . 1 1 13 13 ALA CB C 13 17.12 0.025 . 1 . . . . . . . . 5793 1 53 . 1 1 14 14 LEU H H 1 7.85 0.025 . 1 . . . . . . . . 5793 1 54 . 1 1 14 14 LEU N N 15 118.97 0.025 . 1 . . . . . . . . 5793 1 55 . 1 1 14 14 LEU CA C 13 57.02 0.025 . 1 . . . . . . . . 5793 1 56 . 1 1 14 14 LEU C C 13 178.04 0.025 . 1 . . . . . . . . 5793 1 57 . 1 1 14 14 LEU CB C 13 41.81 0.025 . 1 . . . . . . . . 5793 1 58 . 1 1 15 15 SER H H 1 7.76 0.025 . 1 . . . . . . . . 5793 1 59 . 1 1 15 15 SER N N 15 113.78 0.025 . 1 . . . . . . . . 5793 1 60 . 1 1 15 15 SER CA C 13 60.34 0.025 . 1 . . . . . . . . 5793 1 61 . 1 1 15 15 SER C C 13 174.42 0.025 . 1 . . . . . . . . 5793 1 62 . 1 1 15 15 SER CB C 13 62.51 0.025 . 1 . . . . . . . . 5793 1 63 . 1 1 16 16 ARG H H 1 6.75 0.025 . 1 . . . . . . . . 5793 1 64 . 1 1 16 16 ARG N N 15 119.62 0.025 . 1 . . . . . . . . 5793 1 65 . 1 1 16 16 ARG CA C 13 55.85 0.025 . 1 . . . . . . . . 5793 1 66 . 1 1 16 16 ARG C C 13 176.81 0.025 . 1 . . . . . . . . 5793 1 67 . 1 1 16 16 ARG CB C 13 29.89 0.025 . 1 . . . . . . . . 5793 1 68 . 1 1 17 17 LEU H H 1 7.25 0.025 . 1 . . . . . . . . 5793 1 69 . 1 1 17 17 LEU N N 15 123.45 0.025 . 1 . . . . . . . . 5793 1 70 . 1 1 17 17 LEU CA C 13 52.27 0.025 . 1 . . . . . . . . 5793 1 71 . 1 1 17 17 LEU C C 13 174.47 0.025 . 1 . . . . . . . . 5793 1 72 . 1 1 17 17 LEU CB C 13 38.62 0.025 . 1 . . . . . . . . 5793 1 73 . 1 1 18 18 PRO CA C 13 63.05 0.025 . 1 . . . . . . . . 5793 1 74 . 1 1 18 18 PRO C C 13 177.11 0.025 . 1 . . . . . . . . 5793 1 75 . 1 1 18 18 PRO CB C 13 30.33 0.025 . 1 . . . . . . . . 5793 1 76 . 1 1 19 19 GLY H H 1 8.15 0.025 . 1 . . . . . . . . 5793 1 77 . 1 1 19 19 GLY N N 15 111.98 0.025 . 1 . . . . . . . . 5793 1 78 . 1 1 19 19 GLY CA C 13 44.85 0.025 . 1 . . . . . . . . 5793 1 79 . 1 1 19 19 GLY C C 13 174.19 0.025 . 1 . . . . . . . . 5793 1 80 . 1 1 20 20 ILE H H 1 7.24 0.025 . 1 . . . . . . . . 5793 1 81 . 1 1 20 20 ILE N N 15 123.97 0.025 . 1 . . . . . . . . 5793 1 82 . 1 1 20 20 ILE CA C 13 59.41 0.025 . 1 . . . . . . . . 5793 1 83 . 1 1 20 20 ILE C C 13 175.46 0.025 . 1 . . . . . . . . 5793 1 84 . 1 1 20 20 ILE CB C 13 34.03 0.025 . 1 . . . . . . . . 5793 1 85 . 1 1 21 21 GLY H H 1 7.67 0.025 . 1 . . . . . . . . 5793 1 86 . 1 1 21 21 GLY N N 15 112.68 0.025 . 1 . . . . . . . . 5793 1 87 . 1 1 21 21 GLY CA C 13 44.32 0.025 . 1 . . . . . . . . 5793 1 88 . 1 1 21 21 GLY C C 13 172.51 0.025 . 1 . . . . . . . . 5793 1 89 . 1 1 24 24 THR H H 1 7.09 0.025 . 1 . . . . . . . . 5793 1 90 . 1 1 24 24 THR N N 15 110.72 0.025 . 1 . . . . . . . . 5793 1 91 . 1 1 24 24 THR CA C 13 65.61 0.025 . 1 . . . . . . . . 5793 1 92 . 1 1 24 24 THR C C 13 175.94 0.025 . 1 . . . . . . . . 5793 1 93 . 1 1 24 24 THR CB C 13 67.60 0.025 . 1 . . . . . . . . 5793 1 94 . 1 1 25 25 ALA H H 1 8.35 0.025 . 1 . . . . . . . . 5793 1 95 . 1 1 25 25 ALA N N 15 125.27 0.025 . 1 . . . . . . . . 5793 1 96 . 1 1 25 25 ALA CA C 13 55.48 0.025 . 1 . . . . . . . . 5793 1 97 . 1 1 25 25 ALA C C 13 178.55 0.025 . 1 . . . . . . . . 5793 1 98 . 1 1 25 25 ALA CB C 13 18.52 0.025 . 1 . . . . . . . . 5793 1 99 . 1 1 26 26 GLN H H 1 7.36 0.025 . 1 . . . . . . . . 5793 1 100 . 1 1 26 26 GLN N N 15 118.05 0.025 . 1 . . . . . . . . 5793 1 101 . 1 1 26 26 GLN CA C 13 58.64 0.025 . 1 . . . . . . . . 5793 1 102 . 1 1 26 26 GLN C C 13 177.88 0.025 . 1 . . . . . . . . 5793 1 103 . 1 1 26 26 GLN CB C 13 28.20 0.025 . 1 . . . . . . . . 5793 1 104 . 1 1 27 27 ARG H H 1 7.37 0.025 . 1 . . . . . . . . 5793 1 105 . 1 1 27 27 ARG N N 15 121.71 0.025 . 1 . . . . . . . . 5793 1 106 . 1 1 27 27 ARG CA C 13 59.09 0.025 . 1 . . . . . . . . 5793 1 107 . 1 1 27 27 ARG C C 13 180.08 0.025 . 1 . . . . . . . . 5793 1 108 . 1 1 27 27 ARG CB C 13 29.20 0.025 . 1 . . . . . . . . 5793 1 109 . 1 1 28 28 LEU H H 1 8.41 0.025 . 1 . . . . . . . . 5793 1 110 . 1 1 28 28 LEU N N 15 122.47 0.025 . 1 . . . . . . . . 5793 1 111 . 1 1 28 28 LEU CA C 13 57.10 0.025 . 1 . . . . . . . . 5793 1 112 . 1 1 28 28 LEU C C 13 178.27 0.025 . 1 . . . . . . . . 5793 1 113 . 1 1 28 28 LEU CB C 13 41.83 0.025 . 1 . . . . . . . . 5793 1 114 . 1 1 29 29 ALA H H 1 8.21 0.025 . 1 . . . . . . . . 5793 1 115 . 1 1 29 29 ALA N N 15 124.80 0.025 . 1 . . . . . . . . 5793 1 116 . 1 1 29 29 ALA CA C 13 55.08 0.025 . 1 . . . . . . . . 5793 1 117 . 1 1 29 29 ALA C C 13 178.78 0.025 . 1 . . . . . . . . 5793 1 118 . 1 1 29 29 ALA CB C 13 18.18 0.025 . 1 . . . . . . . . 5793 1 119 . 1 1 30 30 LEU H H 1 7.49 0.025 . 1 . . . . . . . . 5793 1 120 . 1 1 30 30 LEU N N 15 118.47 0.025 . 1 . . . . . . . . 5793 1 121 . 1 1 30 30 LEU CA C 13 57.35 0.025 . 1 . . . . . . . . 5793 1 122 . 1 1 30 30 LEU C C 13 178.53 0.025 . 1 . . . . . . . . 5793 1 123 . 1 1 30 30 LEU CB C 13 40.96 0.025 . 1 . . . . . . . . 5793 1 124 . 1 1 31 31 HIS H H 1 7.82 0.025 . 1 . . . . . . . . 5793 1 125 . 1 1 31 31 HIS N N 15 120.22 0.025 . 1 . . . . . . . . 5793 1 126 . 1 1 31 31 HIS CA C 13 60.90 0.025 . 1 . . . . . . . . 5793 1 127 . 1 1 31 31 HIS C C 13 179.61 0.025 . 1 . . . . . . . . 5793 1 128 . 1 1 31 31 HIS CB C 13 30.61 0.025 . 1 . . . . . . . . 5793 1 129 . 1 1 32 32 LEU H H 1 8.32 0.025 . 1 . . . . . . . . 5793 1 130 . 1 1 32 32 LEU N N 15 122.26 0.025 . 1 . . . . . . . . 5793 1 131 . 1 1 32 32 LEU CA C 13 57.57 0.025 . 1 . . . . . . . . 5793 1 132 . 1 1 32 32 LEU C C 13 176.81 0.025 . 1 . . . . . . . . 5793 1 133 . 1 1 32 32 LEU CB C 13 41.24 0.025 . 1 . . . . . . . . 5793 1 134 . 1 1 33 33 ALA H H 1 7.64 0.025 . 1 . . . . . . . . 5793 1 135 . 1 1 33 33 ALA N N 15 120.52 0.025 . 1 . . . . . . . . 5793 1 136 . 1 1 33 33 ALA CA C 13 54.01 0.025 . 1 . . . . . . . . 5793 1 137 . 1 1 33 33 ALA C C 13 177.99 0.025 . 1 . . . . . . . . 5793 1 138 . 1 1 33 33 ALA CB C 13 17.53 0.025 . 1 . . . . . . . . 5793 1 139 . 1 1 34 34 PHE H H 1 7.12 0.025 . 1 . . . . . . . . 5793 1 140 . 1 1 34 34 PHE N N 15 114.43 0.025 . 1 . . . . . . . . 5793 1 141 . 1 1 34 34 PHE CA C 13 57.97 0.025 . 1 . . . . . . . . 5793 1 142 . 1 1 34 34 PHE C C 13 175.60 0.025 . 1 . . . . . . . . 5793 1 143 . 1 1 34 34 PHE CB C 13 39.31 0.025 . 1 . . . . . . . . 5793 1 144 . 1 1 35 35 HIS H H 1 7.60 0.025 . 1 . . . . . . . . 5793 1 145 . 1 1 35 35 HIS N N 15 123.65 0.025 . 1 . . . . . . . . 5793 1 146 . 1 1 35 35 HIS CA C 13 54.75 0.025 . 1 . . . . . . . . 5793 1 147 . 1 1 35 35 HIS C C 13 174.83 0.025 . 1 . . . . . . . . 5793 1 148 . 1 1 35 35 HIS CB C 13 26.32 0.025 . 1 . . . . . . . . 5793 1 149 . 1 1 36 36 LYS H H 1 8.05 0.025 . 1 . . . . . . . . 5793 1 150 . 1 1 36 36 LYS N N 15 124.91 0.025 . 1 . . . . . . . . 5793 1 151 . 1 1 36 36 LYS CA C 13 59.28 0.025 . 1 . . . . . . . . 5793 1 152 . 1 1 36 36 LYS C C 13 178.94 0.025 . 1 . . . . . . . . 5793 1 153 . 1 1 36 36 LYS CB C 13 31.36 0.025 . 1 . . . . . . . . 5793 1 154 . 1 1 37 37 GLU H H 1 9.17 0.025 . 1 . . . . . . . . 5793 1 155 . 1 1 37 37 GLU N N 15 121.89 0.025 . 1 . . . . . . . . 5793 1 156 . 1 1 37 37 GLU CA C 13 59.50 0.025 . 1 . . . . . . . . 5793 1 157 . 1 1 37 37 GLU C C 13 180.06 0.025 . 1 . . . . . . . . 5793 1 158 . 1 1 37 37 GLU CB C 13 27.46 0.025 . 1 . . . . . . . . 5793 1 159 . 1 1 38 38 GLU H H 1 7.63 0.025 . 1 . . . . . . . . 5793 1 160 . 1 1 38 38 GLU N N 15 123.51 0.025 . 1 . . . . . . . . 5793 1 161 . 1 1 38 38 GLU CA C 13 58.75 0.025 . 1 . . . . . . . . 5793 1 162 . 1 1 38 38 GLU C C 13 179.46 0.025 . 1 . . . . . . . . 5793 1 163 . 1 1 38 38 GLU CB C 13 28.34 0.025 . 1 . . . . . . . . 5793 1 164 . 1 1 39 39 ALA H H 1 7.65 0.025 . 1 . . . . . . . . 5793 1 165 . 1 1 39 39 ALA N N 15 125.41 0.025 . 1 . . . . . . . . 5793 1 166 . 1 1 39 39 ALA CA C 13 55.31 0.025 . 1 . . . . . . . . 5793 1 167 . 1 1 39 39 ALA C C 13 179.29 0.025 . 1 . . . . . . . . 5793 1 168 . 1 1 39 39 ALA CB C 13 17.14 0.025 . 1 . . . . . . . . 5793 1 169 . 1 1 40 40 GLU H H 1 8.26 0.025 . 1 . . . . . . . . 5793 1 170 . 1 1 40 40 GLU N N 15 120.49 0.025 . 1 . . . . . . . . 5793 1 171 . 1 1 40 40 GLU CA C 13 58.86 0.025 . 1 . . . . . . . . 5793 1 172 . 1 1 40 40 GLU C C 13 179.18 0.025 . 1 . . . . . . . . 5793 1 173 . 1 1 40 40 GLU CB C 13 28.70 0.025 . 1 . . . . . . . . 5793 1 174 . 1 1 41 41 ALA H H 1 7.60 0.025 . 1 . . . . . . . . 5793 1 175 . 1 1 41 41 ALA N N 15 124.17 0.025 . 1 . . . . . . . . 5793 1 176 . 1 1 41 41 ALA CA C 13 54.44 0.025 . 1 . . . . . . . . 5793 1 177 . 1 1 41 41 ALA C C 13 181.42 0.025 . 1 . . . . . . . . 5793 1 178 . 1 1 41 41 ALA CB C 13 17.28 0.025 . 1 . . . . . . . . 5793 1 179 . 1 1 42 42 LEU H H 1 7.85 0.025 . 1 . . . . . . . . 5793 1 180 . 1 1 42 42 LEU N N 15 123.14 0.025 . 1 . . . . . . . . 5793 1 181 . 1 1 42 42 LEU CA C 13 57.34 0.025 . 1 . . . . . . . . 5793 1 182 . 1 1 42 42 LEU C C 13 177.52 0.025 . 1 . . . . . . . . 5793 1 183 . 1 1 42 42 LEU CB C 13 40.09 0.025 . 1 . . . . . . . . 5793 1 184 . 1 1 43 43 ALA H H 1 8.30 0.025 . 1 . . . . . . . . 5793 1 185 . 1 1 43 43 ALA N N 15 124.86 0.025 . 1 . . . . . . . . 5793 1 186 . 1 1 43 43 ALA CA C 13 55.54 0.025 . 1 . . . . . . . . 5793 1 187 . 1 1 43 43 ALA C C 13 180.64 0.025 . 1 . . . . . . . . 5793 1 188 . 1 1 43 43 ALA CB C 13 17.23 0.025 . 1 . . . . . . . . 5793 1 189 . 1 1 44 44 GLU H H 1 8.13 0.025 . 1 . . . . . . . . 5793 1 190 . 1 1 44 44 GLU N N 15 121.45 0.025 . 1 . . . . . . . . 5793 1 191 . 1 1 44 44 GLU CA C 13 58.97 0.025 . 1 . . . . . . . . 5793 1 192 . 1 1 44 44 GLU C C 13 179.66 0.025 . 1 . . . . . . . . 5793 1 193 . 1 1 44 44 GLU CB C 13 28.68 0.025 . 1 . . . . . . . . 5793 1 194 . 1 1 45 45 ALA H H 1 7.72 0.025 . 1 . . . . . . . . 5793 1 195 . 1 1 45 45 ALA N N 15 124.39 0.025 . 1 . . . . . . . . 5793 1 196 . 1 1 45 45 ALA CA C 13 53.64 0.025 . 1 . . . . . . . . 5793 1 197 . 1 1 45 45 ALA C C 13 180.88 0.025 . 1 . . . . . . . . 5793 1 198 . 1 1 45 45 ALA CB C 13 17.40 0.025 . 1 . . . . . . . . 5793 1 199 . 1 1 46 46 LEU H H 1 8.30 0.025 . 1 . . . . . . . . 5793 1 200 . 1 1 46 46 LEU N N 15 122.66 0.025 . 1 . . . . . . . . 5793 1 201 . 1 1 46 46 LEU CA C 13 57.03 0.025 . 1 . . . . . . . . 5793 1 202 . 1 1 46 46 LEU C C 13 178.97 0.025 . 1 . . . . . . . . 5793 1 203 . 1 1 46 46 LEU CB C 13 40.55 0.025 . 1 . . . . . . . . 5793 1 204 . 1 1 47 47 GLU H H 1 7.60 0.025 . 1 . . . . . . . . 5793 1 205 . 1 1 47 47 GLU N N 15 122.82 0.025 . 1 . . . . . . . . 5793 1 206 . 1 1 47 47 GLU CA C 13 58.63 0.025 . 1 . . . . . . . . 5793 1 207 . 1 1 47 47 GLU C C 13 179.97 0.025 . 1 . . . . . . . . 5793 1 208 . 1 1 47 47 GLU CB C 13 27.95 0.025 . 1 . . . . . . . . 5793 1 209 . 1 1 48 48 GLY H H 1 7.51 0.025 . 1 . . . . . . . . 5793 1 210 . 1 1 48 48 GLY N N 15 106.78 0.025 . 1 . . . . . . . . 5793 1 211 . 1 1 48 48 GLY CA C 13 46.55 0.025 . 1 . . . . . . . . 5793 1 212 . 1 1 48 48 GLY C C 13 176.30 0.025 . 1 . . . . . . . . 5793 1 213 . 1 1 49 49 ILE H H 1 7.26 0.025 . 1 . . . . . . . . 5793 1 214 . 1 1 49 49 ILE N N 15 119.48 0.025 . 1 . . . . . . . . 5793 1 215 . 1 1 49 49 ILE CA C 13 60.14 0.025 . 1 . . . . . . . . 5793 1 216 . 1 1 49 49 ILE C C 13 176.95 0.025 . 1 . . . . . . . . 5793 1 217 . 1 1 49 49 ILE CB C 13 37.94 0.025 . 1 . . . . . . . . 5793 1 218 . 1 1 50 50 LYS H H 1 7.20 0.025 . 1 . . . . . . . . 5793 1 219 . 1 1 50 50 LYS N N 15 123.07 0.025 . 1 . . . . . . . . 5793 1 220 . 1 1 50 50 LYS CA C 13 58.96 0.025 . 1 . . . . . . . . 5793 1 221 . 1 1 50 50 LYS C C 13 177.50 0.025 . 1 . . . . . . . . 5793 1 222 . 1 1 50 50 LYS CB C 13 31.63 0.025 . 1 . . . . . . . . 5793 1 223 . 1 1 51 51 ARG H H 1 7.26 0.025 . 1 . . . . . . . . 5793 1 224 . 1 1 51 51 ARG N N 15 116.98 0.025 . 1 . . . . . . . . 5793 1 225 . 1 1 51 51 ARG CA C 13 56.04 0.025 . 1 . . . . . . . . 5793 1 226 . 1 1 51 51 ARG C C 13 176.73 0.025 . 1 . . . . . . . . 5793 1 227 . 1 1 51 51 ARG CB C 13 29.89 0.025 . 1 . . . . . . . . 5793 1 228 . 1 1 52 52 VAL H H 1 7.07 0.025 . 1 . . . . . . . . 5793 1 229 . 1 1 52 52 VAL N N 15 119.27 0.025 . 1 . . . . . . . . 5793 1 230 . 1 1 52 52 VAL CA C 13 61.91 0.025 . 1 . . . . . . . . 5793 1 231 . 1 1 52 52 VAL C C 13 175.13 0.025 . 1 . . . . . . . . 5793 1 232 . 1 1 52 52 VAL CB C 13 31.28 0.025 . 1 . . . . . . . . 5793 1 233 . 1 1 53 53 ARG H H 1 8.77 0.025 . 1 . . . . . . . . 5793 1 234 . 1 1 53 53 ARG N N 15 125.23 0.025 . 1 . . . . . . . . 5793 1 235 . 1 1 53 53 ARG CA C 13 53.83 0.025 . 1 . . . . . . . . 5793 1 236 . 1 1 53 53 ARG C C 13 173.94 0.025 . 1 . . . . . . . . 5793 1 237 . 1 1 53 53 ARG CB C 13 31.66 0.025 . 1 . . . . . . . . 5793 1 238 . 1 1 54 54 ALA H H 1 8.02 0.025 . 1 . . . . . . . . 5793 1 239 . 1 1 54 54 ALA N N 15 123.98 0.025 . 1 . . . . . . . . 5793 1 240 . 1 1 54 54 ALA CA C 13 51.15 0.025 . 1 . . . . . . . . 5793 1 241 . 1 1 54 54 ALA C C 13 177.48 0.025 . 1 . . . . . . . . 5793 1 242 . 1 1 54 54 ALA CB C 13 18.58 0.025 . 1 . . . . . . . . 5793 1 243 . 1 1 55 55 CYS H H 1 9.36 0.025 . 1 . . . . . . . . 5793 1 244 . 1 1 55 55 CYS N N 15 128.72 0.025 . 1 . . . . . . . . 5793 1 245 . 1 1 55 55 CYS CA C 13 59.09 0.025 . 1 . . . . . . . . 5793 1 246 . 1 1 55 55 CYS C C 13 177.30 0.025 . 1 . . . . . . . . 5793 1 247 . 1 1 55 55 CYS CB C 13 30.91 0.025 . 1 . . . . . . . . 5793 1 248 . 1 1 56 56 ARG H H 1 8.86 0.025 . 1 . . . . . . . . 5793 1 249 . 1 1 56 56 ARG N N 15 132.50 0.025 . 1 . . . . . . . . 5793 1 250 . 1 1 56 56 ARG CA C 13 58.33 0.025 . 1 . . . . . . . . 5793 1 251 . 1 1 56 56 ARG C C 13 176.36 0.025 . 1 . . . . . . . . 5793 1 252 . 1 1 56 56 ARG CB C 13 29.30 0.025 . 1 . . . . . . . . 5793 1 253 . 1 1 57 57 GLU H H 1 8.47 0.025 . 1 . . . . . . . . 5793 1 254 . 1 1 57 57 GLU N N 15 121.43 0.025 . 1 . . . . . . . . 5793 1 255 . 1 1 57 57 GLU CA C 13 57.58 0.025 . 1 . . . . . . . . 5793 1 256 . 1 1 57 57 GLU C C 13 178.18 0.025 . 1 . . . . . . . . 5793 1 257 . 1 1 57 57 GLU CB C 13 30.67 0.025 . 1 . . . . . . . . 5793 1 258 . 1 1 58 58 CYS H H 1 7.74 0.025 . 1 . . . . . . . . 5793 1 259 . 1 1 58 58 CYS N N 15 118.90 0.025 . 1 . . . . . . . . 5793 1 260 . 1 1 58 58 CYS CA C 13 58.76 0.025 . 1 . . . . . . . . 5793 1 261 . 1 1 58 58 CYS C C 13 175.61 0.025 . 1 . . . . . . . . 5793 1 262 . 1 1 58 58 CYS CB C 13 35.64 0.025 . 1 . . . . . . . . 5793 1 263 . 1 1 59 59 GLY H H 1 7.52 0.025 . 1 . . . . . . . . 5793 1 264 . 1 1 59 59 GLY N N 15 111.87 0.025 . 1 . . . . . . . . 5793 1 265 . 1 1 59 59 GLY CA C 13 45.58 0.025 . 1 . . . . . . . . 5793 1 266 . 1 1 59 59 GLY C C 13 172.80 0.025 . 1 . . . . . . . . 5793 1 267 . 1 1 60 60 ASN H H 1 9.06 0.025 . 1 . . . . . . . . 5793 1 268 . 1 1 60 60 ASN N N 15 122.03 0.025 . 1 . . . . . . . . 5793 1 269 . 1 1 60 60 ASN CA C 13 52.28 0.025 . 1 . . . . . . . . 5793 1 270 . 1 1 60 60 ASN C C 13 174.85 0.025 . 1 . . . . . . . . 5793 1 271 . 1 1 60 60 ASN CB C 13 40.34 0.025 . 1 . . . . . . . . 5793 1 272 . 1 1 61 61 LEU H H 1 7.31 0.025 . 1 . . . . . . . . 5793 1 273 . 1 1 61 61 LEU N N 15 126.94 0.025 . 1 . . . . . . . . 5793 1 274 . 1 1 61 61 LEU CA C 13 56.50 0.025 . 1 . . . . . . . . 5793 1 275 . 1 1 61 61 LEU C C 13 175.89 0.025 . 1 . . . . . . . . 5793 1 276 . 1 1 61 61 LEU CB C 13 41.60 0.025 . 1 . . . . . . . . 5793 1 277 . 1 1 62 62 ALA H H 1 8.88 0.025 . 1 . . . . . . . . 5793 1 278 . 1 1 62 62 ALA N N 15 127.69 0.025 . 1 . . . . . . . . 5793 1 279 . 1 1 62 62 ALA CA C 13 50.51 0.025 . 1 . . . . . . . . 5793 1 280 . 1 1 62 62 ALA C C 13 175.61 0.025 . 1 . . . . . . . . 5793 1 281 . 1 1 62 62 ALA CB C 13 21.86 0.025 . 1 . . . . . . . . 5793 1 282 . 1 1 63 63 GLU H H 1 8.84 0.025 . 1 . . . . . . . . 5793 1 283 . 1 1 63 63 GLU N N 15 123.23 0.025 . 1 . . . . . . . . 5793 1 284 . 1 1 63 63 GLU CA C 13 55.09 0.025 . 1 . . . . . . . . 5793 1 285 . 1 1 63 63 GLU C C 13 176.13 0.025 . 1 . . . . . . . . 5793 1 286 . 1 1 63 63 GLU CB C 13 29.24 0.025 . 1 . . . . . . . . 5793 1 287 . 1 1 64 64 GLY H H 1 7.03 0.025 . 1 . . . . . . . . 5793 1 288 . 1 1 64 64 GLY N N 15 111.11 0.025 . 1 . . . . . . . . 5793 1 289 . 1 1 64 64 GLY CA C 13 43.88 0.025 . 1 . . . . . . . . 5793 1 290 . 1 1 64 64 GLY C C 13 171.83 0.025 . 1 . . . . . . . . 5793 1 291 . 1 1 65 65 GLU H H 1 8.05 0.025 . 1 . . . . . . . . 5793 1 292 . 1 1 65 65 GLU N N 15 120.44 0.025 . 1 . . . . . . . . 5793 1 293 . 1 1 65 65 GLU CA C 13 59.03 0.025 . 1 . . . . . . . . 5793 1 294 . 1 1 65 65 GLU C C 13 175.76 0.025 . 1 . . . . . . . . 5793 1 295 . 1 1 65 65 GLU CB C 13 29.98 0.025 . 1 . . . . . . . . 5793 1 296 . 1 1 66 66 LEU H H 1 7.39 0.025 . 1 . . . . . . . . 5793 1 297 . 1 1 66 66 LEU N N 15 116.31 0.025 . 1 . . . . . . . . 5793 1 298 . 1 1 66 66 LEU CA C 13 51.92 0.025 . 1 . . . . . . . . 5793 1 299 . 1 1 66 66 LEU C C 13 177.76 0.025 . 1 . . . . . . . . 5793 1 300 . 1 1 66 66 LEU CB C 13 45.40 0.025 . 1 . . . . . . . . 5793 1 301 . 1 1 67 67 CYS H H 1 9.20 0.025 . 1 . . . . . . . . 5793 1 302 . 1 1 67 67 CYS N N 15 126.31 0.025 . 1 . . . . . . . . 5793 1 303 . 1 1 67 67 CYS CA C 13 57.12 0.025 . 1 . . . . . . . . 5793 1 304 . 1 1 67 67 CYS C C 13 173.20 0.025 . 1 . . . . . . . . 5793 1 305 . 1 1 67 67 CYS CB C 13 29.12 0.025 . 1 . . . . . . . . 5793 1 306 . 1 1 68 68 PRO CA C 13 64.37 0.025 . 1 . . . . . . . . 5793 1 307 . 1 1 68 68 PRO C C 13 178.48 0.025 . 1 . . . . . . . . 5793 1 308 . 1 1 68 68 PRO CB C 13 31.81 0.025 . 1 . . . . . . . . 5793 1 309 . 1 1 69 69 ILE H H 1 7.62 0.025 . 1 . . . . . . . . 5793 1 310 . 1 1 69 69 ILE N N 15 120.35 0.025 . 1 . . . . . . . . 5793 1 311 . 1 1 69 69 ILE CA C 13 63.61 0.025 . 1 . . . . . . . . 5793 1 312 . 1 1 69 69 ILE C C 13 177.88 0.025 . 1 . . . . . . . . 5793 1 313 . 1 1 69 69 ILE CB C 13 36.19 0.025 . 1 . . . . . . . . 5793 1 314 . 1 1 70 70 CYS H H 1 8.26 0.025 . 1 . . . . . . . . 5793 1 315 . 1 1 70 70 CYS N N 15 124.69 0.025 . 1 . . . . . . . . 5793 1 316 . 1 1 70 70 CYS CA C 13 64.79 0.025 . 1 . . . . . . . . 5793 1 317 . 1 1 70 70 CYS C C 13 177.58 0.025 . 1 . . . . . . . . 5793 1 318 . 1 1 70 70 CYS CB C 13 29.28 0.025 . 1 . . . . . . . . 5793 1 319 . 1 1 71 71 GLN H H 1 7.29 0.025 . 1 . . . . . . . . 5793 1 320 . 1 1 71 71 GLN N N 15 115.89 0.025 . 1 . . . . . . . . 5793 1 321 . 1 1 71 71 GLN CA C 13 56.07 0.025 . 1 . . . . . . . . 5793 1 322 . 1 1 71 71 GLN C C 13 175.37 0.025 . 1 . . . . . . . . 5793 1 323 . 1 1 71 71 GLN CB C 13 29.98 0.025 . 1 . . . . . . . . 5793 1 324 . 1 1 72 72 ASP H H 1 7.03 0.025 . 1 . . . . . . . . 5793 1 325 . 1 1 72 72 ASP N N 15 122.80 0.025 . 1 . . . . . . . . 5793 1 326 . 1 1 72 72 ASP CA C 13 54.08 0.025 . 1 . . . . . . . . 5793 1 327 . 1 1 72 72 ASP C C 13 177.39 0.025 . 1 . . . . . . . . 5793 1 328 . 1 1 72 72 ASP CB C 13 40.67 0.025 . 1 . . . . . . . . 5793 1 329 . 1 1 73 73 GLU H H 1 8.71 0.025 . 1 . . . . . . . . 5793 1 330 . 1 1 73 73 GLU N N 15 130.06 0.025 . 1 . . . . . . . . 5793 1 331 . 1 1 73 73 GLU CA C 13 57.77 0.025 . 1 . . . . . . . . 5793 1 332 . 1 1 73 73 GLU C C 13 176.75 0.025 . 1 . . . . . . . . 5793 1 333 . 1 1 73 73 GLU CB C 13 28.85 0.025 . 1 . . . . . . . . 5793 1 334 . 1 1 74 74 ASP H H 1 8.48 0.025 . 1 . . . . . . . . 5793 1 335 . 1 1 74 74 ASP N N 15 121.56 0.025 . 1 . . . . . . . . 5793 1 336 . 1 1 74 74 ASP CA C 13 54.10 0.025 . 1 . . . . . . . . 5793 1 337 . 1 1 74 74 ASP C C 13 176.81 0.025 . 1 . . . . . . . . 5793 1 338 . 1 1 74 74 ASP CB C 13 40.61 0.025 . 1 . . . . . . . . 5793 1 339 . 1 1 75 75 ARG H H 1 6.80 0.025 . 1 . . . . . . . . 5793 1 340 . 1 1 75 75 ARG N N 15 119.13 0.025 . 1 . . . . . . . . 5793 1 341 . 1 1 75 75 ARG CA C 13 53.56 0.025 . 1 . . . . . . . . 5793 1 342 . 1 1 75 75 ARG C C 13 175.52 0.025 . 1 . . . . . . . . 5793 1 343 . 1 1 75 75 ARG CB C 13 28.40 0.025 . 1 . . . . . . . . 5793 1 344 . 1 1 76 76 ASP H H 1 8.26 0.025 . 1 . . . . . . . . 5793 1 345 . 1 1 76 76 ASP N N 15 122.86 0.025 . 1 . . . . . . . . 5793 1 346 . 1 1 76 76 ASP CA C 13 52.37 0.025 . 1 . . . . . . . . 5793 1 347 . 1 1 76 76 ASP C C 13 176.02 0.025 . 1 . . . . . . . . 5793 1 348 . 1 1 76 76 ASP CB C 13 39.38 0.025 . 1 . . . . . . . . 5793 1 349 . 1 1 77 77 ARG H H 1 7.94 0.025 . 1 . . . . . . . . 5793 1 350 . 1 1 77 77 ARG N N 15 124.94 0.025 . 1 . . . . . . . . 5793 1 351 . 1 1 77 77 ARG CA C 13 57.06 0.025 . 1 . . . . . . . . 5793 1 352 . 1 1 77 77 ARG C C 13 175.93 0.025 . 1 . . . . . . . . 5793 1 353 . 1 1 77 77 ARG CB C 13 27.77 0.025 . 1 . . . . . . . . 5793 1 354 . 1 1 78 78 SER H H 1 8.34 0.025 . 1 . . . . . . . . 5793 1 355 . 1 1 78 78 SER N N 15 116.74 0.025 . 1 . . . . . . . . 5793 1 356 . 1 1 78 78 SER CA C 13 58.97 0.025 . 1 . . . . . . . . 5793 1 357 . 1 1 78 78 SER C C 13 173.03 0.025 . 1 . . . . . . . . 5793 1 358 . 1 1 78 78 SER CB C 13 64.08 0.025 . 1 . . . . . . . . 5793 1 359 . 1 1 79 79 LEU H H 1 7.13 0.025 . 1 . . . . . . . . 5793 1 360 . 1 1 79 79 LEU N N 15 127.83 0.025 . 1 . . . . . . . . 5793 1 361 . 1 1 79 79 LEU CA C 13 53.48 0.025 . 1 . . . . . . . . 5793 1 362 . 1 1 79 79 LEU C C 13 174.42 0.025 . 1 . . . . . . . . 5793 1 363 . 1 1 79 79 LEU CB C 13 45.38 0.025 . 1 . . . . . . . . 5793 1 364 . 1 1 80 80 LEU H H 1 8.10 0.025 . 1 . . . . . . . . 5793 1 365 . 1 1 80 80 LEU N N 15 128.10 0.025 . 1 . . . . . . . . 5793 1 366 . 1 1 80 80 LEU CA C 13 52.91 0.025 . 1 . . . . . . . . 5793 1 367 . 1 1 80 80 LEU C C 13 174.57 0.025 . 1 . . . . . . . . 5793 1 368 . 1 1 80 80 LEU CB C 13 46.09 0.025 . 1 . . . . . . . . 5793 1 369 . 1 1 81 81 ALA H H 1 9.16 0.025 . 1 . . . . . . . . 5793 1 370 . 1 1 81 81 ALA N N 15 129.76 0.025 . 1 . . . . . . . . 5793 1 371 . 1 1 81 81 ALA CA C 13 49.77 0.025 . 1 . . . . . . . . 5793 1 372 . 1 1 81 81 ALA C C 13 175.94 0.025 . 1 . . . . . . . . 5793 1 373 . 1 1 81 81 ALA CB C 13 18.83 0.025 . 1 . . . . . . . . 5793 1 374 . 1 1 82 82 VAL H H 1 8.63 0.025 . 1 . . . . . . . . 5793 1 375 . 1 1 82 82 VAL N N 15 126.05 0.025 . 1 . . . . . . . . 5793 1 376 . 1 1 82 82 VAL CA C 13 61.11 0.025 . 1 . . . . . . . . 5793 1 377 . 1 1 82 82 VAL C C 13 174.57 0.025 . 1 . . . . . . . . 5793 1 378 . 1 1 82 82 VAL CB C 13 32.26 0.025 . 1 . . . . . . . . 5793 1 379 . 1 1 83 83 VAL H H 1 8.34 0.025 . 1 . . . . . . . . 5793 1 380 . 1 1 83 83 VAL N N 15 118.01 0.025 . 1 . . . . . . . . 5793 1 381 . 1 1 83 83 VAL CA C 13 57.24 0.025 . 1 . . . . . . . . 5793 1 382 . 1 1 83 83 VAL C C 13 176.19 0.025 . 1 . . . . . . . . 5793 1 383 . 1 1 83 83 VAL CB C 13 35.51 0.025 . 1 . . . . . . . . 5793 1 384 . 1 1 84 84 GLU H H 1 10.24 0.025 . 1 . . . . . . . . 5793 1 385 . 1 1 84 84 GLU N N 15 122.72 0.025 . 1 . . . . . . . . 5793 1 386 . 1 1 84 84 GLU CA C 13 59.51 0.025 . 1 . . . . . . . . 5793 1 387 . 1 1 84 84 GLU C C 13 177.72 0.025 . 1 . . . . . . . . 5793 1 388 . 1 1 84 84 GLU CB C 13 30.12 0.025 . 1 . . . . . . . . 5793 1 389 . 1 1 85 85 SER H H 1 7.08 0.025 . 1 . . . . . . . . 5793 1 390 . 1 1 85 85 SER N N 15 110.66 0.025 . 1 . . . . . . . . 5793 1 391 . 1 1 85 85 SER CA C 13 55.38 0.025 . 1 . . . . . . . . 5793 1 392 . 1 1 85 85 SER C C 13 174.38 0.025 . 1 . . . . . . . . 5793 1 393 . 1 1 85 85 SER CB C 13 67.36 0.025 . 1 . . . . . . . . 5793 1 394 . 1 1 86 86 VAL H H 1 8.59 0.025 . 1 . . . . . . . . 5793 1 395 . 1 1 86 86 VAL N N 15 124.07 0.025 . 1 . . . . . . . . 5793 1 396 . 1 1 86 86 VAL CA C 13 65.45 0.025 . 1 . . . . . . . . 5793 1 397 . 1 1 86 86 VAL C C 13 176.80 0.025 . 1 . . . . . . . . 5793 1 398 . 1 1 86 86 VAL CB C 13 30.70 0.025 . 1 . . . . . . . . 5793 1 399 . 1 1 87 87 ALA H H 1 7.85 0.025 . 1 . . . . . . . . 5793 1 400 . 1 1 87 87 ALA N N 15 123.74 0.025 . 1 . . . . . . . . 5793 1 401 . 1 1 87 87 ALA CA C 13 55.09 0.025 . 1 . . . . . . . . 5793 1 402 . 1 1 87 87 ALA C C 13 180.44 0.025 . 1 . . . . . . . . 5793 1 403 . 1 1 87 87 ALA CB C 13 17.05 0.025 . 1 . . . . . . . . 5793 1 404 . 1 1 88 88 ASP H H 1 7.45 0.025 . 1 . . . . . . . . 5793 1 405 . 1 1 88 88 ASP N N 15 122.63 0.025 . 1 . . . . . . . . 5793 1 406 . 1 1 88 88 ASP CA C 13 56.92 0.025 . 1 . . . . . . . . 5793 1 407 . 1 1 88 88 ASP C C 13 177.43 0.025 . 1 . . . . . . . . 5793 1 408 . 1 1 88 88 ASP CB C 13 39.86 0.025 . 1 . . . . . . . . 5793 1 409 . 1 1 89 89 LEU H H 1 7.25 0.025 . 1 . . . . . . . . 5793 1 410 . 1 1 89 89 LEU N N 15 125.47 0.025 . 1 . . . . . . . . 5793 1 411 . 1 1 89 89 LEU CA C 13 59.83 0.025 . 1 . . . . . . . . 5793 1 412 . 1 1 89 89 LEU C C 13 178.69 0.025 . 1 . . . . . . . . 5793 1 413 . 1 1 89 89 LEU CB C 13 40.74 0.025 . 1 . . . . . . . . 5793 1 414 . 1 1 90 90 TYR H H 1 8.27 0.025 . 1 . . . . . . . . 5793 1 415 . 1 1 90 90 TYR N N 15 120.32 0.025 . 1 . . . . . . . . 5793 1 416 . 1 1 90 90 TYR CA C 13 60.70 0.025 . 1 . . . . . . . . 5793 1 417 . 1 1 90 90 TYR C C 13 178.20 0.025 . 1 . . . . . . . . 5793 1 418 . 1 1 90 90 TYR CB C 13 36.22 0.025 . 1 . . . . . . . . 5793 1 419 . 1 1 91 91 ALA H H 1 7.46 0.025 . 1 . . . . . . . . 5793 1 420 . 1 1 91 91 ALA N N 15 124.34 0.025 . 1 . . . . . . . . 5793 1 421 . 1 1 91 91 ALA CA C 13 54.95 0.025 . 1 . . . . . . . . 5793 1 422 . 1 1 91 91 ALA C C 13 179.64 0.025 . 1 . . . . . . . . 5793 1 423 . 1 1 91 91 ALA CB C 13 17.55 0.025 . 1 . . . . . . . . 5793 1 424 . 1 1 92 92 LEU H H 1 7.74 0.025 . 1 . . . . . . . . 5793 1 425 . 1 1 92 92 LEU N N 15 120.71 0.025 . 1 . . . . . . . . 5793 1 426 . 1 1 92 92 LEU CA C 13 58.11 0.025 . 1 . . . . . . . . 5793 1 427 . 1 1 92 92 LEU C C 13 181.31 0.025 . 1 . . . . . . . . 5793 1 428 . 1 1 92 92 LEU CB C 13 40.79 0.025 . 1 . . . . . . . . 5793 1 429 . 1 1 93 93 GLU H H 1 8.89 0.025 . 1 . . . . . . . . 5793 1 430 . 1 1 93 93 GLU N N 15 125.97 0.025 . 1 . . . . . . . . 5793 1 431 . 1 1 93 93 GLU CA C 13 58.21 0.025 . 1 . . . . . . . . 5793 1 432 . 1 1 93 93 GLU C C 13 179.97 0.025 . 1 . . . . . . . . 5793 1 433 . 1 1 93 93 GLU CB C 13 28.45 0.025 . 1 . . . . . . . . 5793 1 434 . 1 1 94 94 ARG H H 1 8.14 0.025 . 1 . . . . . . . . 5793 1 435 . 1 1 94 94 ARG N N 15 121.55 0.025 . 1 . . . . . . . . 5793 1 436 . 1 1 94 94 ARG CA C 13 58.39 0.025 . 1 . . . . . . . . 5793 1 437 . 1 1 94 94 ARG C C 13 177.84 0.025 . 1 . . . . . . . . 5793 1 438 . 1 1 94 94 ARG CB C 13 29.81 0.025 . 1 . . . . . . . . 5793 1 439 . 1 1 95 95 SER H H 1 7.50 0.025 . 1 . . . . . . . . 5793 1 440 . 1 1 95 95 SER N N 15 116.20 0.025 . 1 . . . . . . . . 5793 1 441 . 1 1 95 95 SER CA C 13 61.09 0.025 . 1 . . . . . . . . 5793 1 442 . 1 1 95 95 SER C C 13 175.57 0.025 . 1 . . . . . . . . 5793 1 443 . 1 1 95 95 SER CB C 13 63.98 0.025 . 1 . . . . . . . . 5793 1 444 . 1 1 96 96 GLY H H 1 7.31 0.025 . 1 . . . . . . . . 5793 1 445 . 1 1 96 96 GLY N N 15 111.35 0.025 . 1 . . . . . . . . 5793 1 446 . 1 1 96 96 GLY CA C 13 45.93 0.025 . 1 . . . . . . . . 5793 1 447 . 1 1 96 96 GLY C C 13 174.72 0.025 . 1 . . . . . . . . 5793 1 448 . 1 1 97 97 GLU H H 1 7.48 0.025 . 1 . . . . . . . . 5793 1 449 . 1 1 97 97 GLU N N 15 119.94 0.025 . 1 . . . . . . . . 5793 1 450 . 1 1 97 97 GLU CA C 13 55.28 0.025 . 1 . . . . . . . . 5793 1 451 . 1 1 97 97 GLU C C 13 175.22 0.025 . 1 . . . . . . . . 5793 1 452 . 1 1 97 97 GLU CB C 13 29.89 0.025 . 1 . . . . . . . . 5793 1 453 . 1 1 98 98 PHE H H 1 8.33 0.025 . 1 . . . . . . . . 5793 1 454 . 1 1 98 98 PHE N N 15 122.95 0.025 . 1 . . . . . . . . 5793 1 455 . 1 1 98 98 PHE CA C 13 57.99 0.025 . 1 . . . . . . . . 5793 1 456 . 1 1 98 98 PHE C C 13 174.79 0.025 . 1 . . . . . . . . 5793 1 457 . 1 1 98 98 PHE CB C 13 40.83 0.025 . 1 . . . . . . . . 5793 1 458 . 1 1 99 99 ARG H H 1 8.03 0.025 . 1 . . . . . . . . 5793 1 459 . 1 1 99 99 ARG N N 15 127.13 0.025 . 1 . . . . . . . . 5793 1 460 . 1 1 99 99 ARG CA C 13 53.79 0.025 . 1 . . . . . . . . 5793 1 461 . 1 1 99 99 ARG C C 13 176.07 0.025 . 1 . . . . . . . . 5793 1 462 . 1 1 99 99 ARG CB C 13 29.47 0.025 . 1 . . . . . . . . 5793 1 463 . 1 1 100 100 GLY CA C 13 44.94 0.025 . 1 . . . . . . . . 5793 1 464 . 1 1 100 100 GLY C C 13 172.93 0.025 . 1 . . . . . . . . 5793 1 465 . 1 1 101 101 LEU H H 1 7.87 0.025 . 1 . . . . . . . . 5793 1 466 . 1 1 101 101 LEU N N 15 120.94 0.025 . 1 . . . . . . . . 5793 1 467 . 1 1 101 101 LEU CA C 13 52.67 0.025 . 1 . . . . . . . . 5793 1 468 . 1 1 101 101 LEU C C 13 175.72 0.025 . 1 . . . . . . . . 5793 1 469 . 1 1 101 101 LEU CB C 13 43.55 0.025 . 1 . . . . . . . . 5793 1 470 . 1 1 102 102 TYR H H 1 8.32 0.025 . 1 . . . . . . . . 5793 1 471 . 1 1 102 102 TYR N N 15 117.56 0.025 . 1 . . . . . . . . 5793 1 472 . 1 1 102 102 TYR CA C 13 56.90 0.025 . 1 . . . . . . . . 5793 1 473 . 1 1 102 102 TYR C C 13 177.16 0.025 . 1 . . . . . . . . 5793 1 474 . 1 1 102 102 TYR CB C 13 44.42 0.025 . 1 . . . . . . . . 5793 1 475 . 1 1 103 103 HIS H H 1 8.57 0.025 . 1 . . . . . . . . 5793 1 476 . 1 1 103 103 HIS N N 15 120.97 0.025 . 1 . . . . . . . . 5793 1 477 . 1 1 103 103 HIS CA C 13 58.83 0.025 . 1 . . . . . . . . 5793 1 478 . 1 1 103 103 HIS C C 13 173.48 0.025 . 1 . . . . . . . . 5793 1 479 . 1 1 103 103 HIS CB C 13 35.20 0.025 . 1 . . . . . . . . 5793 1 480 . 1 1 104 104 VAL H H 1 8.07 0.025 . 1 . . . . . . . . 5793 1 481 . 1 1 104 104 VAL N N 15 130.06 0.025 . 1 . . . . . . . . 5793 1 482 . 1 1 104 104 VAL CA C 13 61.12 0.025 . 1 . . . . . . . . 5793 1 483 . 1 1 104 104 VAL C C 13 176.43 0.025 . 1 . . . . . . . . 5793 1 484 . 1 1 104 104 VAL CB C 13 30.71 0.025 . 1 . . . . . . . . 5793 1 485 . 1 1 105 105 LEU H H 1 8.98 0.025 . 1 . . . . . . . . 5793 1 486 . 1 1 105 105 LEU N N 15 128.98 0.025 . 1 . . . . . . . . 5793 1 487 . 1 1 105 105 LEU CA C 13 56.60 0.025 . 1 . . . . . . . . 5793 1 488 . 1 1 105 105 LEU C C 13 177.63 0.025 . 1 . . . . . . . . 5793 1 489 . 1 1 105 105 LEU CB C 13 42.98 0.025 . 1 . . . . . . . . 5793 1 490 . 1 1 106 106 GLY H H 1 7.46 0.025 . 1 . . . . . . . . 5793 1 491 . 1 1 106 106 GLY N N 15 107.48 0.025 . 1 . . . . . . . . 5793 1 492 . 1 1 106 106 GLY CA C 13 44.86 0.025 . 1 . . . . . . . . 5793 1 493 . 1 1 106 106 GLY C C 13 173.76 0.025 . 1 . . . . . . . . 5793 1 494 . 1 1 107 107 GLY H H 1 7.48 0.025 . 1 . . . . . . . . 5793 1 495 . 1 1 107 107 GLY N N 15 110.47 0.025 . 1 . . . . . . . . 5793 1 496 . 1 1 107 107 GLY CA C 13 43.96 0.025 . 1 . . . . . . . . 5793 1 497 . 1 1 107 107 GLY C C 13 169.07 0.025 . 1 . . . . . . . . 5793 1 498 . 1 1 108 108 ALA H H 1 7.01 0.025 . 1 . . . . . . . . 5793 1 499 . 1 1 108 108 ALA N N 15 119.60 0.025 . 1 . . . . . . . . 5793 1 500 . 1 1 108 108 ALA CA C 13 49.77 0.025 . 1 . . . . . . . . 5793 1 501 . 1 1 108 108 ALA C C 13 176.40 0.025 . 1 . . . . . . . . 5793 1 502 . 1 1 108 108 ALA CB C 13 20.68 0.025 . 1 . . . . . . . . 5793 1 503 . 1 1 109 109 LEU H H 1 7.59 0.025 . 1 . . . . . . . . 5793 1 504 . 1 1 109 109 LEU N N 15 121.03 0.025 . 1 . . . . . . . . 5793 1 505 . 1 1 109 109 LEU CA C 13 55.30 0.025 . 1 . . . . . . . . 5793 1 506 . 1 1 109 109 LEU C C 13 176.84 0.025 . 1 . . . . . . . . 5793 1 507 . 1 1 109 109 LEU CB C 13 41.27 0.025 . 1 . . . . . . . . 5793 1 508 . 1 1 110 110 ASN H H 1 8.35 0.025 . 1 . . . . . . . . 5793 1 509 . 1 1 110 110 ASN N N 15 116.72 0.025 . 1 . . . . . . . . 5793 1 510 . 1 1 110 110 ASN CA C 13 50.70 0.025 . 1 . . . . . . . . 5793 1 511 . 1 1 110 110 ASN C C 13 174.03 0.025 . 1 . . . . . . . . 5793 1 512 . 1 1 110 110 ASN CB C 13 37.66 0.025 . 1 . . . . . . . . 5793 1 513 . 1 1 111 111 PRO CA C 13 64.28 0.025 . 1 . . . . . . . . 5793 1 514 . 1 1 111 111 PRO C C 13 179.19 0.025 . 1 . . . . . . . . 5793 1 515 . 1 1 111 111 PRO CB C 13 31.15 0.025 . 1 . . . . . . . . 5793 1 516 . 1 1 112 112 LEU H H 1 7.58 0.025 . 1 . . . . . . . . 5793 1 517 . 1 1 112 112 LEU N N 15 120.74 0.025 . 1 . . . . . . . . 5793 1 518 . 1 1 112 112 LEU CA C 13 56.82 0.025 . 1 . . . . . . . . 5793 1 519 . 1 1 112 112 LEU C C 13 178.47 0.025 . 1 . . . . . . . . 5793 1 520 . 1 1 112 112 LEU CB C 13 40.30 0.025 . 1 . . . . . . . . 5793 1 521 . 1 1 113 113 GLU H H 1 6.89 0.025 . 1 . . . . . . . . 5793 1 522 . 1 1 113 113 GLU N N 15 118.26 0.025 . 1 . . . . . . . . 5793 1 523 . 1 1 113 113 GLU CA C 13 54.77 0.025 . 1 . . . . . . . . 5793 1 524 . 1 1 113 113 GLU C C 13 176.28 0.025 . 1 . . . . . . . . 5793 1 525 . 1 1 113 113 GLU CB C 13 29.86 0.025 . 1 . . . . . . . . 5793 1 526 . 1 1 114 114 GLY H H 1 7.41 0.025 . 1 . . . . . . . . 5793 1 527 . 1 1 114 114 GLY N N 15 109.44 0.025 . 1 . . . . . . . . 5793 1 528 . 1 1 114 114 GLY CA C 13 45.70 0.025 . 1 . . . . . . . . 5793 1 529 . 1 1 114 114 GLY C C 13 174.06 0.025 . 1 . . . . . . . . 5793 1 530 . 1 1 115 115 ILE H H 1 7.42 0.025 . 1 . . . . . . . . 5793 1 531 . 1 1 115 115 ILE N N 15 122.84 0.025 . 1 . . . . . . . . 5793 1 532 . 1 1 115 115 ILE CA C 13 59.96 0.025 . 1 . . . . . . . . 5793 1 533 . 1 1 115 115 ILE C C 13 175.34 0.025 . 1 . . . . . . . . 5793 1 534 . 1 1 115 115 ILE CB C 13 36.19 0.025 . 1 . . . . . . . . 5793 1 535 . 1 1 116 116 GLY H H 1 8.92 0.025 . 1 . . . . . . . . 5793 1 536 . 1 1 116 116 GLY N N 15 121.06 0.025 . 1 . . . . . . . . 5793 1 537 . 1 1 116 116 GLY CA C 13 43.58 0.025 . 1 . . . . . . . . 5793 1 538 . 1 1 116 116 GLY C C 13 171.89 0.025 . 1 . . . . . . . . 5793 1 539 . 1 1 117 117 PRO CA C 13 65.13 0.025 . 1 . . . . . . . . 5793 1 540 . 1 1 117 117 PRO C C 13 178.48 0.025 . 1 . . . . . . . . 5793 1 541 . 1 1 117 117 PRO CB C 13 31.35 0.025 . 1 . . . . . . . . 5793 1 542 . 1 1 118 118 LYS H H 1 8.10 0.025 . 1 . . . . . . . . 5793 1 543 . 1 1 118 118 LYS N N 15 116.86 0.025 . 1 . . . . . . . . 5793 1 544 . 1 1 118 118 LYS CA C 13 57.68 0.025 . 1 . . . . . . . . 5793 1 545 . 1 1 118 118 LYS C C 13 177.98 0.025 . 1 . . . . . . . . 5793 1 546 . 1 1 118 118 LYS CB C 13 30.96 0.025 . 1 . . . . . . . . 5793 1 547 . 1 1 119 119 GLU H H 1 7.58 0.025 . 1 . . . . . . . . 5793 1 548 . 1 1 119 119 GLU N N 15 121.06 0.025 . 1 . . . . . . . . 5793 1 549 . 1 1 119 119 GLU CA C 13 58.53 0.025 . 1 . . . . . . . . 5793 1 550 . 1 1 119 119 GLU C C 13 176.55 0.025 . 1 . . . . . . . . 5793 1 551 . 1 1 119 119 GLU CB C 13 29.08 0.025 . 1 . . . . . . . . 5793 1 552 . 1 1 120 120 LEU H H 1 7.07 0.025 . 1 . . . . . . . . 5793 1 553 . 1 1 120 120 LEU N N 15 120.36 0.025 . 1 . . . . . . . . 5793 1 554 . 1 1 120 120 LEU CA C 13 53.05 0.025 . 1 . . . . . . . . 5793 1 555 . 1 1 120 120 LEU C C 13 176.47 0.025 . 1 . . . . . . . . 5793 1 556 . 1 1 120 120 LEU CB C 13 42.85 0.025 . 1 . . . . . . . . 5793 1 557 . 1 1 121 121 ASN H H 1 8.39 0.025 . 1 . . . . . . . . 5793 1 558 . 1 1 121 121 ASN N N 15 120.61 0.025 . 1 . . . . . . . . 5793 1 559 . 1 1 121 121 ASN CA C 13 52.27 0.025 . 1 . . . . . . . . 5793 1 560 . 1 1 121 121 ASN C C 13 176.44 0.025 . 1 . . . . . . . . 5793 1 561 . 1 1 121 121 ASN CB C 13 36.13 0.025 . 1 . . . . . . . . 5793 1 562 . 1 1 122 122 LEU H H 1 7.91 0.025 . 1 . . . . . . . . 5793 1 563 . 1 1 122 122 LEU N N 15 124.23 0.025 . 1 . . . . . . . . 5793 1 564 . 1 1 122 122 LEU CA C 13 56.40 0.025 . 1 . . . . . . . . 5793 1 565 . 1 1 122 122 LEU C C 13 177.98 0.025 . 1 . . . . . . . . 5793 1 566 . 1 1 122 122 LEU CB C 13 41.27 0.025 . 1 . . . . . . . . 5793 1 567 . 1 1 123 123 GLU H H 1 8.50 0.025 . 1 . . . . . . . . 5793 1 568 . 1 1 123 123 GLU N N 15 122.23 0.025 . 1 . . . . . . . . 5793 1 569 . 1 1 123 123 GLU CA C 13 59.57 0.025 . 1 . . . . . . . . 5793 1 570 . 1 1 123 123 GLU C C 13 179.49 0.025 . 1 . . . . . . . . 5793 1 571 . 1 1 123 123 GLU CB C 13 28.25 0.025 . 1 . . . . . . . . 5793 1 572 . 1 1 124 124 GLY H H 1 7.98 0.025 . 1 . . . . . . . . 5793 1 573 . 1 1 124 124 GLY N N 15 106.57 0.025 . 1 . . . . . . . . 5793 1 574 . 1 1 124 124 GLY CA C 13 46.13 0.025 . 1 . . . . . . . . 5793 1 575 . 1 1 124 124 GLY C C 13 175.01 0.025 . 1 . . . . . . . . 5793 1 576 . 1 1 125 125 LEU H H 1 6.66 0.025 . 1 . . . . . . . . 5793 1 577 . 1 1 125 125 LEU N N 15 123.51 0.025 . 1 . . . . . . . . 5793 1 578 . 1 1 125 125 LEU CA C 13 56.81 0.025 . 1 . . . . . . . . 5793 1 579 . 1 1 125 125 LEU C C 13 177.85 0.025 . 1 . . . . . . . . 5793 1 580 . 1 1 125 125 LEU CB C 13 39.58 0.025 . 1 . . . . . . . . 5793 1 581 . 1 1 126 126 PHE H H 1 7.01 0.025 . 1 . . . . . . . . 5793 1 582 . 1 1 126 126 PHE N N 15 116.19 0.025 . 1 . . . . . . . . 5793 1 583 . 1 1 126 126 PHE CA C 13 58.41 0.025 . 1 . . . . . . . . 5793 1 584 . 1 1 126 126 PHE C C 13 177.81 0.025 . 1 . . . . . . . . 5793 1 585 . 1 1 126 126 PHE CB C 13 36.47 0.025 . 1 . . . . . . . . 5793 1 586 . 1 1 127 127 ARG H H 1 7.30 0.025 . 1 . . . . . . . . 5793 1 587 . 1 1 127 127 ARG N N 15 118.46 0.025 . 1 . . . . . . . . 5793 1 588 . 1 1 127 127 ARG CA C 13 56.92 0.025 . 1 . . . . . . . . 5793 1 589 . 1 1 127 127 ARG C C 13 177.13 0.025 . 1 . . . . . . . . 5793 1 590 . 1 1 127 127 ARG CB C 13 29.19 0.025 . 1 . . . . . . . . 5793 1 591 . 1 1 128 128 ARG H H 1 7.29 0.025 . 1 . . . . . . . . 5793 1 592 . 1 1 128 128 ARG N N 15 122.01 0.025 . 1 . . . . . . . . 5793 1 593 . 1 1 128 128 ARG CA C 13 56.02 0.025 . 1 . . . . . . . . 5793 1 594 . 1 1 128 128 ARG C C 13 175.73 0.025 . 1 . . . . . . . . 5793 1 595 . 1 1 128 128 ARG CB C 13 29.86 0.025 . 1 . . . . . . . . 5793 1 596 . 1 1 129 129 LEU H H 1 6.91 0.025 . 1 . . . . . . . . 5793 1 597 . 1 1 129 129 LEU N N 15 116.62 0.025 . 1 . . . . . . . . 5793 1 598 . 1 1 129 129 LEU CA C 13 54.99 0.025 . 1 . . . . . . . . 5793 1 599 . 1 1 129 129 LEU C C 13 178.02 0.025 . 1 . . . . . . . . 5793 1 600 . 1 1 129 129 LEU CB C 13 40.62 0.025 . 1 . . . . . . . . 5793 1 601 . 1 1 130 130 GLU H H 1 7.69 0.025 . 1 . . . . . . . . 5793 1 602 . 1 1 130 130 GLU N N 15 125.16 0.025 . 1 . . . . . . . . 5793 1 603 . 1 1 130 130 GLU CA C 13 58.33 0.025 . 1 . . . . . . . . 5793 1 604 . 1 1 130 130 GLU C C 13 177.74 0.025 . 1 . . . . . . . . 5793 1 605 . 1 1 130 130 GLU CB C 13 27.98 0.025 . 1 . . . . . . . . 5793 1 606 . 1 1 131 131 GLY H H 1 8.60 0.025 . 1 . . . . . . . . 5793 1 607 . 1 1 131 131 GLY N N 15 117.30 0.025 . 1 . . . . . . . . 5793 1 608 . 1 1 131 131 GLY CA C 13 45.06 0.025 . 1 . . . . . . . . 5793 1 609 . 1 1 131 131 GLY C C 13 173.80 0.025 . 1 . . . . . . . . 5793 1 610 . 1 1 132 132 VAL H H 1 7.52 0.025 . 1 . . . . . . . . 5793 1 611 . 1 1 132 132 VAL N N 15 123.75 0.025 . 1 . . . . . . . . 5793 1 612 . 1 1 132 132 VAL CA C 13 62.96 0.025 . 1 . . . . . . . . 5793 1 613 . 1 1 132 132 VAL C C 13 175.50 0.025 . 1 . . . . . . . . 5793 1 614 . 1 1 132 132 VAL CB C 13 31.09 0.025 . 1 . . . . . . . . 5793 1 615 . 1 1 133 133 GLU H H 1 9.28 0.025 . 1 . . . . . . . . 5793 1 616 . 1 1 133 133 GLU N N 15 129.19 0.025 . 1 . . . . . . . . 5793 1 617 . 1 1 133 133 GLU CA C 13 56.28 0.025 . 1 . . . . . . . . 5793 1 618 . 1 1 133 133 GLU C C 13 176.30 0.025 . 1 . . . . . . . . 5793 1 619 . 1 1 133 133 GLU CB C 13 30.98 0.025 . 1 . . . . . . . . 5793 1 620 . 1 1 134 134 GLU H H 1 7.42 0.025 . 1 . . . . . . . . 5793 1 621 . 1 1 134 134 GLU N N 15 122.98 0.025 . 1 . . . . . . . . 5793 1 622 . 1 1 134 134 GLU CA C 13 54.54 0.025 . 1 . . . . . . . . 5793 1 623 . 1 1 134 134 GLU C C 13 173.34 0.025 . 1 . . . . . . . . 5793 1 624 . 1 1 134 134 GLU CB C 13 32.00 0.025 . 1 . . . . . . . . 5793 1 625 . 1 1 135 135 VAL H H 1 8.56 0.025 . 1 . . . . . . . . 5793 1 626 . 1 1 135 135 VAL N N 15 128.11 0.025 . 1 . . . . . . . . 5793 1 627 . 1 1 135 135 VAL CA C 13 59.38 0.025 . 1 . . . . . . . . 5793 1 628 . 1 1 135 135 VAL C C 13 174.51 0.025 . 1 . . . . . . . . 5793 1 629 . 1 1 135 135 VAL CB C 13 32.83 0.025 . 1 . . . . . . . . 5793 1 630 . 1 1 136 136 VAL H H 1 9.17 0.025 . 1 . . . . . . . . 5793 1 631 . 1 1 136 136 VAL N N 15 128.81 0.025 . 1 . . . . . . . . 5793 1 632 . 1 1 136 136 VAL CA C 13 59.49 0.025 . 1 . . . . . . . . 5793 1 633 . 1 1 136 136 VAL C C 13 176.38 0.025 . 1 . . . . . . . . 5793 1 634 . 1 1 136 136 VAL CB C 13 31.85 0.025 . 1 . . . . . . . . 5793 1 635 . 1 1 137 137 LEU H H 1 9.37 0.025 . 1 . . . . . . . . 5793 1 636 . 1 1 137 137 LEU N N 15 131.09 0.025 . 1 . . . . . . . . 5793 1 637 . 1 1 137 137 LEU CA C 13 52.80 0.025 . 1 . . . . . . . . 5793 1 638 . 1 1 137 137 LEU C C 13 174.58 0.025 . 1 . . . . . . . . 5793 1 639 . 1 1 137 137 LEU CB C 13 39.54 0.025 . 1 . . . . . . . . 5793 1 640 . 1 1 138 138 ALA H H 1 8.34 0.025 . 1 . . . . . . . . 5793 1 641 . 1 1 138 138 ALA N N 15 136.31 0.025 . 1 . . . . . . . . 5793 1 642 . 1 1 138 138 ALA CA C 13 50.37 0.025 . 1 . . . . . . . . 5793 1 643 . 1 1 138 138 ALA C C 13 176.39 0.025 . 1 . . . . . . . . 5793 1 644 . 1 1 138 138 ALA CB C 13 16.42 0.025 . 1 . . . . . . . . 5793 1 645 . 1 1 139 139 THR H H 1 6.25 0.025 . 1 . . . . . . . . 5793 1 646 . 1 1 139 139 THR N N 15 106.27 0.025 . 1 . . . . . . . . 5793 1 647 . 1 1 139 139 THR CA C 13 61.45 0.025 . 1 . . . . . . . . 5793 1 648 . 1 1 139 139 THR C C 13 174.99 0.025 . 1 . . . . . . . . 5793 1 649 . 1 1 139 139 THR CB C 13 67.88 0.025 . 1 . . . . . . . . 5793 1 650 . 1 1 140 140 SER H H 1 9.16 0.025 . 1 . . . . . . . . 5793 1 651 . 1 1 140 140 SER N N 15 120.16 0.025 . 1 . . . . . . . . 5793 1 652 . 1 1 140 140 SER CA C 13 59.59 0.025 . 1 . . . . . . . . 5793 1 653 . 1 1 140 140 SER C C 13 174.26 0.025 . 1 . . . . . . . . 5793 1 654 . 1 1 140 140 SER CB C 13 63.58 0.025 . 1 . . . . . . . . 5793 1 655 . 1 1 141 141 MET H H 1 8.02 0.025 . 1 . . . . . . . . 5793 1 656 . 1 1 141 141 MET N N 15 121.81 0.025 . 1 . . . . . . . . 5793 1 657 . 1 1 141 141 MET CA C 13 53.45 0.025 . 1 . . . . . . . . 5793 1 658 . 1 1 141 141 MET C C 13 176.91 0.025 . 1 . . . . . . . . 5793 1 659 . 1 1 141 141 MET CB C 13 30.00 0.025 . 1 . . . . . . . . 5793 1 660 . 1 1 142 142 THR H H 1 7.28 0.025 . 1 . . . . . . . . 5793 1 661 . 1 1 142 142 THR N N 15 112.21 0.025 . 1 . . . . . . . . 5793 1 662 . 1 1 142 142 THR CA C 13 59.85 0.025 . 1 . . . . . . . . 5793 1 663 . 1 1 142 142 THR C C 13 175.03 0.025 . 1 . . . . . . . . 5793 1 664 . 1 1 142 142 THR CB C 13 72.15 0.025 . 1 . . . . . . . . 5793 1 665 . 1 1 143 143 VAL H H 1 8.60 0.025 . 1 . . . . . . . . 5793 1 666 . 1 1 143 143 VAL N N 15 124.21 0.025 . 1 . . . . . . . . 5793 1 667 . 1 1 143 143 VAL CA C 13 66.48 0.025 . 1 . . . . . . . . 5793 1 668 . 1 1 143 143 VAL C C 13 179.41 0.025 . 1 . . . . . . . . 5793 1 669 . 1 1 143 143 VAL CB C 13 30.77 0.025 . 1 . . . . . . . . 5793 1 670 . 1 1 144 144 GLU H H 1 9.08 0.025 . 1 . . . . . . . . 5793 1 671 . 1 1 144 144 GLU N N 15 122.48 0.025 . 1 . . . . . . . . 5793 1 672 . 1 1 144 144 GLU CA C 13 59.74 0.025 . 1 . . . . . . . . 5793 1 673 . 1 1 144 144 GLU C C 13 180.79 0.025 . 1 . . . . . . . . 5793 1 674 . 1 1 144 144 GLU CB C 13 27.19 0.025 . 1 . . . . . . . . 5793 1 675 . 1 1 145 145 GLY H H 1 8.73 0.025 . 1 . . . . . . . . 5793 1 676 . 1 1 145 145 GLY N N 15 118.72 0.025 . 1 . . . . . . . . 5793 1 677 . 1 1 145 145 GLY CA C 13 47.64 0.025 . 1 . . . . . . . . 5793 1 678 . 1 1 145 145 GLY C C 13 178.84 0.025 . 1 . . . . . . . . 5793 1 679 . 1 1 146 146 GLU H H 1 8.76 0.025 . 1 . . . . . . . . 5793 1 680 . 1 1 146 146 GLU N N 15 128.74 0.025 . 1 . . . . . . . . 5793 1 681 . 1 1 146 146 GLU CA C 13 58.89 0.025 . 1 . . . . . . . . 5793 1 682 . 1 1 146 146 GLU C C 13 178.71 0.025 . 1 . . . . . . . . 5793 1 683 . 1 1 146 146 GLU CB C 13 28.72 0.025 . 1 . . . . . . . . 5793 1 684 . 1 1 147 147 ALA H H 1 8.12 0.025 . 1 . . . . . . . . 5793 1 685 . 1 1 147 147 ALA N N 15 124.77 0.025 . 1 . . . . . . . . 5793 1 686 . 1 1 147 147 ALA CA C 13 55.06 0.025 . 1 . . . . . . . . 5793 1 687 . 1 1 147 147 ALA C C 13 181.72 0.025 . 1 . . . . . . . . 5793 1 688 . 1 1 147 147 ALA CB C 13 17.34 0.025 . 1 . . . . . . . . 5793 1 689 . 1 1 148 148 THR H H 1 8.10 0.025 . 1 . . . . . . . . 5793 1 690 . 1 1 148 148 THR N N 15 117.77 0.025 . 1 . . . . . . . . 5793 1 691 . 1 1 148 148 THR CA C 13 67.18 0.025 . 1 . . . . . . . . 5793 1 692 . 1 1 148 148 THR C C 13 175.40 0.025 . 1 . . . . . . . . 5793 1 693 . 1 1 148 148 THR CB C 13 68.13 0.025 . 1 . . . . . . . . 5793 1 694 . 1 1 149 149 ALA H H 1 7.85 0.025 . 1 . . . . . . . . 5793 1 695 . 1 1 149 149 ALA N N 15 126.39 0.025 . 1 . . . . . . . . 5793 1 696 . 1 1 149 149 ALA CA C 13 55.32 0.025 . 1 . . . . . . . . 5793 1 697 . 1 1 149 149 ALA C C 13 178.87 0.025 . 1 . . . . . . . . 5793 1 698 . 1 1 149 149 ALA CB C 13 16.38 0.025 . 1 . . . . . . . . 5793 1 699 . 1 1 150 150 LEU H H 1 8.18 0.025 . 1 . . . . . . . . 5793 1 700 . 1 1 150 150 LEU N N 15 120.86 0.025 . 1 . . . . . . . . 5793 1 701 . 1 1 150 150 LEU CA C 13 58.08 0.025 . 1 . . . . . . . . 5793 1 702 . 1 1 150 150 LEU C C 13 179.70 0.025 . 1 . . . . . . . . 5793 1 703 . 1 1 150 150 LEU CB C 13 40.55 0.025 . 1 . . . . . . . . 5793 1 704 . 1 1 151 151 TYR H H 1 7.63 0.025 . 1 . . . . . . . . 5793 1 705 . 1 1 151 151 TYR N N 15 122.30 0.025 . 1 . . . . . . . . 5793 1 706 . 1 1 151 151 TYR CA C 13 60.79 0.025 . 1 . . . . . . . . 5793 1 707 . 1 1 151 151 TYR C C 13 177.95 0.025 . 1 . . . . . . . . 5793 1 708 . 1 1 151 151 TYR CB C 13 38.32 0.025 . 1 . . . . . . . . 5793 1 709 . 1 1 152 152 LEU H H 1 8.24 0.025 . 1 . . . . . . . . 5793 1 710 . 1 1 152 152 LEU N N 15 119.47 0.025 . 1 . . . . . . . . 5793 1 711 . 1 1 152 152 LEU CA C 13 57.02 0.025 . 1 . . . . . . . . 5793 1 712 . 1 1 152 152 LEU C C 13 178.72 0.025 . 1 . . . . . . . . 5793 1 713 . 1 1 152 152 LEU CB C 13 41.72 0.025 . 1 . . . . . . . . 5793 1 714 . 1 1 153 153 ALA H H 1 8.74 0.025 . 1 . . . . . . . . 5793 1 715 . 1 1 153 153 ALA N N 15 123.34 0.025 . 1 . . . . . . . . 5793 1 716 . 1 1 153 153 ALA CA C 13 55.63 0.025 . 1 . . . . . . . . 5793 1 717 . 1 1 153 153 ALA C C 13 179.01 0.025 . 1 . . . . . . . . 5793 1 718 . 1 1 153 153 ALA CB C 13 17.55 0.025 . 1 . . . . . . . . 5793 1 719 . 1 1 154 154 GLU H H 1 7.12 0.025 . 1 . . . . . . . . 5793 1 720 . 1 1 154 154 GLU N N 15 118.17 0.025 . 1 . . . . . . . . 5793 1 721 . 1 1 154 154 GLU CA C 13 58.85 0.025 . 1 . . . . . . . . 5793 1 722 . 1 1 154 154 GLU C C 13 179.54 0.025 . 1 . . . . . . . . 5793 1 723 . 1 1 154 154 GLU CB C 13 28.48 0.025 . 1 . . . . . . . . 5793 1 724 . 1 1 155 155 GLU H H 1 7.16 0.025 . 1 . . . . . . . . 5793 1 725 . 1 1 155 155 GLU N N 15 119.08 0.025 . 1 . . . . . . . . 5793 1 726 . 1 1 155 155 GLU CA C 13 58.00 0.025 . 1 . . . . . . . . 5793 1 727 . 1 1 155 155 GLU C C 13 179.57 0.025 . 1 . . . . . . . . 5793 1 728 . 1 1 155 155 GLU CB C 13 29.14 0.025 . 1 . . . . . . . . 5793 1 729 . 1 1 156 156 LEU H H 1 8.66 0.025 . 1 . . . . . . . . 5793 1 730 . 1 1 156 156 LEU N N 15 122.15 0.025 . 1 . . . . . . . . 5793 1 731 . 1 1 156 156 LEU CA C 13 57.39 0.025 . 1 . . . . . . . . 5793 1 732 . 1 1 156 156 LEU C C 13 179.60 0.025 . 1 . . . . . . . . 5793 1 733 . 1 1 156 156 LEU CB C 13 40.28 0.025 . 1 . . . . . . . . 5793 1 734 . 1 1 157 157 LYS H H 1 8.26 0.025 . 1 . . . . . . . . 5793 1 735 . 1 1 157 157 LYS N N 15 122.95 0.025 . 1 . . . . . . . . 5793 1 736 . 1 1 157 157 LYS CA C 13 60.01 0.025 . 1 . . . . . . . . 5793 1 737 . 1 1 157 157 LYS C C 13 181.29 0.025 . 1 . . . . . . . . 5793 1 738 . 1 1 157 157 LYS CB C 13 30.91 0.025 . 1 . . . . . . . . 5793 1 739 . 1 1 158 158 LYS H H 1 7.10 0.025 . 1 . . . . . . . . 5793 1 740 . 1 1 158 158 LYS N N 15 120.71 0.025 . 1 . . . . . . . . 5793 1 741 . 1 1 158 158 LYS CA C 13 58.53 0.025 . 1 . . . . . . . . 5793 1 742 . 1 1 158 158 LYS C C 13 177.70 0.025 . 1 . . . . . . . . 5793 1 743 . 1 1 158 158 LYS CB C 13 31.32 0.025 . 1 . . . . . . . . 5793 1 744 . 1 1 159 159 ARG H H 1 7.04 0.025 . 1 . . . . . . . . 5793 1 745 . 1 1 159 159 ARG N N 15 119.08 0.025 . 1 . . . . . . . . 5793 1 746 . 1 1 159 159 ARG CA C 13 55.21 0.025 . 1 . . . . . . . . 5793 1 747 . 1 1 159 159 ARG C C 13 176.50 0.025 . 1 . . . . . . . . 5793 1 748 . 1 1 159 159 ARG CB C 13 29.36 0.025 . 1 . . . . . . . . 5793 1 749 . 1 1 160 160 GLY H H 1 7.54 0.025 . 1 . . . . . . . . 5793 1 750 . 1 1 160 160 GLY N N 15 109.21 0.025 . 1 . . . . . . . . 5793 1 751 . 1 1 160 160 GLY CA C 13 45.82 0.025 . 1 . . . . . . . . 5793 1 752 . 1 1 160 160 GLY C C 13 173.96 0.025 . 1 . . . . . . . . 5793 1 753 . 1 1 161 161 VAL H H 1 6.90 0.025 . 1 . . . . . . . . 5793 1 754 . 1 1 161 161 VAL N N 15 119.33 0.025 . 1 . . . . . . . . 5793 1 755 . 1 1 161 161 VAL CA C 13 60.06 0.025 . 1 . . . . . . . . 5793 1 756 . 1 1 161 161 VAL C C 13 175.21 0.025 . 1 . . . . . . . . 5793 1 757 . 1 1 161 161 VAL CB C 13 32.70 0.025 . 1 . . . . . . . . 5793 1 758 . 1 1 162 162 ARG H H 1 7.57 0.025 . 1 . . . . . . . . 5793 1 759 . 1 1 162 162 ARG N N 15 127.37 0.025 . 1 . . . . . . . . 5793 1 760 . 1 1 162 162 ARG CA C 13 56.62 0.025 . 1 . . . . . . . . 5793 1 761 . 1 1 162 162 ARG C C 13 174.98 0.025 . 1 . . . . . . . . 5793 1 762 . 1 1 162 162 ARG CB C 13 29.83 0.025 . 1 . . . . . . . . 5793 1 763 . 1 1 163 163 VAL H H 1 8.00 0.025 . 1 . . . . . . . . 5793 1 764 . 1 1 163 163 VAL N N 15 123.40 0.025 . 1 . . . . . . . . 5793 1 765 . 1 1 163 163 VAL CA C 13 59.03 0.025 . 1 . . . . . . . . 5793 1 766 . 1 1 163 163 VAL C C 13 176.23 0.025 . 1 . . . . . . . . 5793 1 767 . 1 1 163 163 VAL CB C 13 33.66 0.025 . 1 . . . . . . . . 5793 1 768 . 1 1 164 164 THR H H 1 8.66 0.025 . 1 . . . . . . . . 5793 1 769 . 1 1 164 164 THR N N 15 117.76 0.025 . 1 . . . . . . . . 5793 1 770 . 1 1 164 164 THR CA C 13 58.97 0.025 . 1 . . . . . . . . 5793 1 771 . 1 1 164 164 THR C C 13 173.42 0.025 . 1 . . . . . . . . 5793 1 772 . 1 1 164 164 THR CB C 13 72.70 0.025 . 1 . . . . . . . . 5793 1 773 . 1 1 165 165 ARG H H 1 8.65 0.025 . 1 . . . . . . . . 5793 1 774 . 1 1 165 165 ARG N N 15 122.36 0.025 . 1 . . . . . . . . 5793 1 775 . 1 1 165 165 ARG CA C 13 51.65 0.025 . 1 . . . . . . . . 5793 1 776 . 1 1 165 165 ARG C C 13 174.25 0.025 . 1 . . . . . . . . 5793 1 777 . 1 1 165 165 ARG CB C 13 33.25 0.025 . 1 . . . . . . . . 5793 1 778 . 1 1 166 166 PRO CA C 13 62.30 0.025 . 1 . . . . . . . . 5793 1 779 . 1 1 166 166 PRO C C 13 173.97 0.025 . 1 . . . . . . . . 5793 1 780 . 1 1 166 166 PRO CB C 13 31.12 0.025 . 1 . . . . . . . . 5793 1 781 . 1 1 167 167 ALA H H 1 7.92 0.025 . 1 . . . . . . . . 5793 1 782 . 1 1 167 167 ALA N N 15 128.70 0.025 . 1 . . . . . . . . 5793 1 783 . 1 1 167 167 ALA CA C 13 50.26 0.025 . 1 . . . . . . . . 5793 1 784 . 1 1 167 167 ALA C C 13 176.30 0.025 . 1 . . . . . . . . 5793 1 785 . 1 1 167 167 ALA CB C 13 17.20 0.025 . 1 . . . . . . . . 5793 1 786 . 1 1 168 168 TYR H H 1 7.23 0.025 . 1 . . . . . . . . 5793 1 787 . 1 1 168 168 TYR N N 15 121.13 0.025 . 1 . . . . . . . . 5793 1 788 . 1 1 168 168 TYR CA C 13 58.29 0.025 . 1 . . . . . . . . 5793 1 789 . 1 1 168 168 TYR C C 13 176.74 0.025 . 1 . . . . . . . . 5793 1 790 . 1 1 168 168 TYR CB C 13 38.31 0.025 . 1 . . . . . . . . 5793 1 791 . 1 1 169 169 GLY CA C 13 45.07 0.025 . 1 . . . . . . . . 5793 1 792 . 1 1 169 169 GLY C C 13 173.76 0.025 . 1 . . . . . . . . 5793 1 793 . 1 1 170 170 LEU H H 1 7.28 0.025 . 1 . . . . . . . . 5793 1 794 . 1 1 170 170 LEU N N 15 123.36 0.025 . 1 . . . . . . . . 5793 1 795 . 1 1 170 170 LEU CA C 13 52.62 0.025 . 1 . . . . . . . . 5793 1 796 . 1 1 170 170 LEU C C 13 175.01 0.025 . 1 . . . . . . . . 5793 1 797 . 1 1 170 170 LEU CB C 13 41.09 0.025 . 1 . . . . . . . . 5793 1 798 . 1 1 171 171 PRO CA C 13 62.71 0.025 . 1 . . . . . . . . 5793 1 799 . 1 1 171 171 PRO C C 13 176.75 0.025 . 1 . . . . . . . . 5793 1 800 . 1 1 171 171 PRO CB C 13 30.83 0.025 . 1 . . . . . . . . 5793 1 801 . 1 1 172 172 VAL H H 1 7.71 0.025 . 1 . . . . . . . . 5793 1 802 . 1 1 172 172 VAL N N 15 122.07 0.025 . 1 . . . . . . . . 5793 1 803 . 1 1 172 172 VAL CA C 13 62.42 0.025 . 1 . . . . . . . . 5793 1 804 . 1 1 172 172 VAL C C 13 176.80 0.025 . 1 . . . . . . . . 5793 1 805 . 1 1 172 172 VAL CB C 13 31.23 0.025 . 1 . . . . . . . . 5793 1 806 . 1 1 173 173 GLY H H 1 8.11 0.025 . 1 . . . . . . . . 5793 1 807 . 1 1 173 173 GLY N N 15 114.74 0.025 . 1 . . . . . . . . 5793 1 808 . 1 1 173 173 GLY CA C 13 44.92 0.025 . 1 . . . . . . . . 5793 1 809 . 1 1 173 173 GLY C C 13 174.45 0.025 . 1 . . . . . . . . 5793 1 810 . 1 1 174 174 GLY H H 1 7.74 0.025 . 1 . . . . . . . . 5793 1 811 . 1 1 174 174 GLY N N 15 110.58 0.025 . 1 . . . . . . . . 5793 1 812 . 1 1 174 174 GLY CA C 13 44.97 0.025 . 1 . . . . . . . . 5793 1 813 . 1 1 174 174 GLY C C 13 172.97 0.025 . 1 . . . . . . . . 5793 1 814 . 1 1 175 175 SER H H 1 7.77 0.025 . 1 . . . . . . . . 5793 1 815 . 1 1 175 175 SER N N 15 117.69 0.025 . 1 . . . . . . . . 5793 1 816 . 1 1 175 175 SER CA C 13 57.55 0.025 . 1 . . . . . . . . 5793 1 817 . 1 1 175 175 SER C C 13 175.21 0.025 . 1 . . . . . . . . 5793 1 818 . 1 1 176 176 LEU H H 1 8.31 0.025 . 1 . . . . . . . . 5793 1 819 . 1 1 176 176 LEU N N 15 125.99 0.025 . 1 . . . . . . . . 5793 1 820 . 1 1 176 176 LEU CA C 13 57.12 0.025 . 1 . . . . . . . . 5793 1 821 . 1 1 176 176 LEU C C 13 178.21 0.025 . 1 . . . . . . . . 5793 1 822 . 1 1 176 176 LEU CB C 13 40.04 0.025 . 1 . . . . . . . . 5793 1 823 . 1 1 177 177 GLU H H 1 7.82 0.025 . 1 . . . . . . . . 5793 1 824 . 1 1 177 177 GLU N N 15 118.93 0.025 . 1 . . . . . . . . 5793 1 825 . 1 1 177 177 GLU CA C 13 57.77 0.025 . 1 . . . . . . . . 5793 1 826 . 1 1 177 177 GLU C C 13 176.34 0.025 . 1 . . . . . . . . 5793 1 827 . 1 1 177 177 GLU CB C 13 28.49 0.025 . 1 . . . . . . . . 5793 1 828 . 1 1 178 178 TYR H H 1 7.14 0.025 . 1 . . . . . . . . 5793 1 829 . 1 1 178 178 TYR N N 15 119.60 0.025 . 1 . . . . . . . . 5793 1 830 . 1 1 178 178 TYR CA C 13 57.36 0.025 . 1 . . . . . . . . 5793 1 831 . 1 1 178 178 TYR C C 13 175.61 0.025 . 1 . . . . . . . . 5793 1 832 . 1 1 178 178 TYR CB C 13 37.58 0.025 . 1 . . . . . . . . 5793 1 833 . 1 1 179 179 ALA H H 1 7.46 0.025 . 1 . . . . . . . . 5793 1 834 . 1 1 179 179 ALA N N 15 126.13 0.025 . 1 . . . . . . . . 5793 1 835 . 1 1 179 179 ALA CA C 13 51.39 0.025 . 1 . . . . . . . . 5793 1 836 . 1 1 179 179 ALA C C 13 176.72 0.025 . 1 . . . . . . . . 5793 1 837 . 1 1 179 179 ALA CB C 13 18.80 0.025 . 1 . . . . . . . . 5793 1 838 . 1 1 180 180 ASP H H 1 8.01 0.025 . 1 . . . . . . . . 5793 1 839 . 1 1 180 180 ASP N N 15 122.43 0.025 . 1 . . . . . . . . 5793 1 840 . 1 1 180 180 ASP CA C 13 53.68 0.025 . 1 . . . . . . . . 5793 1 841 . 1 1 180 180 ASP C C 13 176.16 0.025 . 1 . . . . . . . . 5793 1 842 . 1 1 180 180 ASP CB C 13 41.65 0.025 . 1 . . . . . . . . 5793 1 843 . 1 1 181 181 GLU CA C 13 60.18 0.025 . 1 . . . . . . . . 5793 1 844 . 1 1 181 181 GLU C C 13 178.82 0.025 . 1 . . . . . . . . 5793 1 845 . 1 1 181 181 GLU CB C 13 28.45 0.025 . 1 . . . . . . . . 5793 1 846 . 1 1 182 182 VAL H H 1 7.88 0.025 . 1 . . . . . . . . 5793 1 847 . 1 1 182 182 VAL N N 15 122.76 0.025 . 1 . . . . . . . . 5793 1 848 . 1 1 182 182 VAL CA C 13 65.09 0.025 . 1 . . . . . . . . 5793 1 849 . 1 1 182 182 VAL C C 13 178.70 0.025 . 1 . . . . . . . . 5793 1 850 . 1 1 182 182 VAL CB C 13 30.70 0.025 . 1 . . . . . . . . 5793 1 851 . 1 1 183 183 THR H H 1 7.92 0.025 . 1 . . . . . . . . 5793 1 852 . 1 1 183 183 THR N N 15 120.79 0.025 . 1 . . . . . . . . 5793 1 853 . 1 1 183 183 THR CA C 13 63.60 0.025 . 1 . . . . . . . . 5793 1 854 . 1 1 183 183 THR CB C 13 65.71 0.025 . 1 . . . . . . . . 5793 1 855 . 1 1 184 184 LEU CA C 13 57.26 0.025 . 1 . . . . . . . . 5793 1 856 . 1 1 184 184 LEU C C 13 178.66 0.025 . 1 . . . . . . . . 5793 1 857 . 1 1 184 184 LEU CB C 13 40.52 0.025 . 1 . . . . . . . . 5793 1 858 . 1 1 185 185 GLY H H 1 8.16 0.025 . 1 . . . . . . . . 5793 1 859 . 1 1 185 185 GLY N N 15 109.53 0.025 . 1 . . . . . . . . 5793 1 860 . 1 1 185 185 GLY CA C 13 47.09 0.025 . 1 . . . . . . . . 5793 1 861 . 1 1 185 185 GLY C C 13 176.08 0.025 . 1 . . . . . . . . 5793 1 862 . 1 1 186 186 ARG H H 1 7.95 0.025 . 1 . . . . . . . . 5793 1 863 . 1 1 186 186 ARG N N 15 123.48 0.025 . 1 . . . . . . . . 5793 1 864 . 1 1 186 186 ARG CA C 13 58.22 0.025 . 1 . . . . . . . . 5793 1 865 . 1 1 186 186 ARG C C 13 179.44 0.025 . 1 . . . . . . . . 5793 1 866 . 1 1 186 186 ARG CB C 13 29.09 0.025 . 1 . . . . . . . . 5793 1 867 . 1 1 187 187 ALA H H 1 7.88 0.025 . 1 . . . . . . . . 5793 1 868 . 1 1 187 187 ALA N N 15 125.30 0.025 . 1 . . . . . . . . 5793 1 869 . 1 1 187 187 ALA CA C 13 53.74 0.025 . 1 . . . . . . . . 5793 1 870 . 1 1 187 187 ALA C C 13 180.37 0.025 . 1 . . . . . . . . 5793 1 871 . 1 1 187 187 ALA CB C 13 17.60 0.025 . 1 . . . . . . . . 5793 1 872 . 1 1 188 188 LEU H H 1 7.78 0.025 . 1 . . . . . . . . 5793 1 873 . 1 1 188 188 LEU N N 15 120.52 0.025 . 1 . . . . . . . . 5793 1 874 . 1 1 188 188 LEU CA C 13 57.01 0.025 . 1 . . . . . . . . 5793 1 875 . 1 1 188 188 LEU C C 13 179.96 0.025 . 1 . . . . . . . . 5793 1 876 . 1 1 188 188 LEU CB C 13 40.82 0.025 . 1 . . . . . . . . 5793 1 877 . 1 1 189 189 GLU H H 1 8.15 0.025 . 1 . . . . . . . . 5793 1 878 . 1 1 189 189 GLU N N 15 124.80 0.025 . 1 . . . . . . . . 5793 1 879 . 1 1 189 189 GLU CA C 13 58.77 0.025 . 1 . . . . . . . . 5793 1 880 . 1 1 189 189 GLU C C 13 178.25 0.025 . 1 . . . . . . . . 5793 1 881 . 1 1 189 189 GLU CB C 13 28.97 0.025 . 1 . . . . . . . . 5793 1 882 . 1 1 190 190 GLY H H 1 7.67 0.025 . 1 . . . . . . . . 5793 1 883 . 1 1 190 190 GLY N N 15 107.16 0.025 . 1 . . . . . . . . 5793 1 884 . 1 1 190 190 GLY CA C 13 44.36 0.025 . 1 . . . . . . . . 5793 1 885 . 1 1 190 190 GLY C C 13 173.54 0.025 . 1 . . . . . . . . 5793 1 886 . 1 1 191 191 ARG H H 1 6.70 0.025 . 1 . . . . . . . . 5793 1 887 . 1 1 191 191 ARG N N 15 120.81 0.025 . 1 . . . . . . . . 5793 1 888 . 1 1 191 191 ARG CA C 13 55.63 0.025 . 1 . . . . . . . . 5793 1 889 . 1 1 191 191 ARG C C 13 174.33 0.025 . 1 . . . . . . . . 5793 1 890 . 1 1 191 191 ARG CB C 13 29.51 0.025 . 1 . . . . . . . . 5793 1 891 . 1 1 192 192 ARG H H 1 7.75 0.025 . 1 . . . . . . . . 5793 1 892 . 1 1 192 192 ARG N N 15 122.75 0.025 . 1 . . . . . . . . 5793 1 893 . 1 1 192 192 ARG CA C 13 52.28 0.025 . 1 . . . . . . . . 5793 1 894 . 1 1 192 192 ARG C C 13 173.67 0.025 . 1 . . . . . . . . 5793 1 895 . 1 1 192 192 ARG CB C 13 31.34 0.025 . 1 . . . . . . . . 5793 1 896 . 1 1 193 193 PRO CA C 13 62.74 0.025 . 1 . . . . . . . . 5793 1 897 . 1 1 193 193 PRO C C 13 176.15 0.025 . 1 . . . . . . . . 5793 1 898 . 1 1 193 193 PRO CB C 13 31.39 0.025 . 1 . . . . . . . . 5793 1 899 . 1 1 194 194 VAL H H 1 7.46 0.025 . 1 . . . . . . . . 5793 1 900 . 1 1 194 194 VAL N N 15 127.05 0.025 . 1 . . . . . . . . 5793 1 901 . 1 1 194 194 VAL CA C 13 62.40 0.025 . 1 . . . . . . . . 5793 1 902 . 1 1 194 194 VAL C C 13 180.63 0.025 . 1 . . . . . . . . 5793 1 903 . 1 1 194 194 VAL CB C 13 32.46 0.025 . 1 . . . . . . . . 5793 1 stop_ save_