data_18774 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18774 _Entry.Title ; Backbone 1H-13C-15N NMR assignments of yeast OMP synthase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-10-10 _Entry.Accession_date 2012-10-10 _Entry.Last_release_date 2013-01-29 _Entry.Original_release_date 2013-01-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Richard Harris . . . 18774 2 Michael Hansen . R. . 18774 3 Eric Barr . W. . 18774 4 Hong Cheng . . . 18774 5 Charles Grubmeyer . T. . 18774 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18774 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 656 18774 '15N chemical shifts' 212 18774 '1H chemical shifts' 212 18774 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 . . 2013-01-29 2012-10-10 original author . 18774 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18775 'yeast OMP synthase in complex with orotidine 5 -monophosphate' 18774 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18774 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23315339 _Citation.Full_citation . _Citation.Title 'Backbone (1)H, (13)C, (15)N NMR assignments of yeast OMP synthase in unliganded form and in complex with orotidine 5'-monophosphate.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2013 _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 'Michael Riis' Hansen . . . 18774 1 2 Richard Harris . . . 18774 1 3 Eric Barr . W. . 18774 1 4 Hong Cheng . . . 18774 1 5 Mark Girvin . E. . 18774 1 6 Charles Grubmeyer . . . 18774 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'OMP synthase' 18774 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18774 _Assembly.ID 1 _Assembly.Name 'omp synthase' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 50656 _Assembly.Enzyme_commission_number 2.4.2.10 _Assembly.Details homodimer _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'omp synthase, 1' 1 $oprtase A . yes native no no . . . 18774 1 2 'omp synthase, 2' 1 $oprtase B . yes native no no . . . 18774 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_oprtase _Entity.Sf_category entity _Entity.Sf_framecode oprtase _Entity.Entry_ID 18774 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name oprtase _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 ; PIMLEDYQKNFLELAIECQA LRFGSFKLKSGRESPYFFNL GLFNTGKLLSNLATAYAIAI IQSDLKFDVIFGPAYKGIPL AAIVCVKLAEIGGSKFQNIQ YAFNRKEAKDHGEGGIIVGS ALENKRILIIDDVMTAGTAI NEAFEIISNAKGQVVGSIIA LDRQEVVSTDDKEGLSATQT VSKKYGIPVLSIVSLIHIIT YLEGRITAEEKSKIEQYLQT YGASAENLYFQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 231 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18775 . oprtase . . . . . 100.00 231 100.00 100.00 1.16e-163 . . . . 18774 1 2 no PDB 2PRY . "Apo Form Of S. Cerevisiae Orotate Phosphoribosyltransferase" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18774 1 3 no PDB 2PRZ . "S. Cerevisiae Orotate Phosphoribosyltransferase Complexed With Omp" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18774 1 4 no PDB 2PS1 . "S. Cerevisiae Orotate Phosphoribosyltransferase Complexed With Orotic Acid And Prpp" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18774 1 5 no DBJ GAA25343 . "K7_Ura5p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18774 1 6 no EMBL CAA32901 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 97.40 226 99.56 100.00 6.15e-158 . . . . 18774 1 7 no EMBL CAA46665 . "URA5 [Saccharomyces cerevisiae]" . . . . . 92.64 214 100.00 100.00 4.53e-149 . . . . 18774 1 8 no EMBL CAA89112 . "Ura5p [Saccharomyces cerevisiae]" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18774 1 9 no EMBL CAY81712 . "Ura5p [Saccharomyces cerevisiae EC1118]" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18774 1 10 no GB AAT93179 . "YML106W [Saccharomyces cerevisiae]" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18774 1 11 no GB AHY76362 . "Ura5p [Saccharomyces cerevisiae YJM993]" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18774 1 12 no GB AJP40607 . "Ura5p [Saccharomyces cerevisiae YJM1078]" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18774 1 13 no GB AJS61787 . "Ura5p [Saccharomyces cerevisiae YJM189]" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18774 1 14 no GB AJS62213 . "Ura5p [Saccharomyces cerevisiae YJM193]" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18774 1 15 no REF NP_013601 . "orotate phosphoribosyltransferase URA5 [Saccharomyces cerevisiae S288c]" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18774 1 16 no SP P13298 . "RecName: Full=Orotate phosphoribosyltransferase 1; Short=OPRT 1; Short=OPRTase 1" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18774 1 17 no TPG DAA09792 . "TPA: orotate phosphoribosyltransferase URA5 [Saccharomyces cerevisiae S288c]" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18774 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'orotate phosphoribosyltransferase' 18774 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 . PRO . 18774 1 2 . ILE . 18774 1 3 . MET . 18774 1 4 . LEU . 18774 1 5 . GLU . 18774 1 6 . ASP . 18774 1 7 . TYR . 18774 1 8 . GLN . 18774 1 9 . LYS . 18774 1 10 . ASN . 18774 1 11 . PHE . 18774 1 12 . LEU . 18774 1 13 . GLU . 18774 1 14 . LEU . 18774 1 15 . ALA . 18774 1 16 . ILE . 18774 1 17 . GLU . 18774 1 18 . CYS . 18774 1 19 . GLN . 18774 1 20 . ALA . 18774 1 21 . LEU . 18774 1 22 . ARG . 18774 1 23 . PHE . 18774 1 24 . GLY . 18774 1 25 . SER . 18774 1 26 . PHE . 18774 1 27 . LYS . 18774 1 28 . LEU . 18774 1 29 . LYS . 18774 1 30 . SER . 18774 1 31 . GLY . 18774 1 32 . ARG . 18774 1 33 . GLU . 18774 1 34 . SER . 18774 1 35 . PRO . 18774 1 36 . TYR . 18774 1 37 . PHE . 18774 1 38 . PHE . 18774 1 39 . ASN . 18774 1 40 . LEU . 18774 1 41 . GLY . 18774 1 42 . LEU . 18774 1 43 . PHE . 18774 1 44 . ASN . 18774 1 45 . THR . 18774 1 46 . GLY . 18774 1 47 . LYS . 18774 1 48 . LEU . 18774 1 49 . LEU . 18774 1 50 . SER . 18774 1 51 . ASN . 18774 1 52 . LEU . 18774 1 53 . ALA . 18774 1 54 . THR . 18774 1 55 . ALA . 18774 1 56 . TYR . 18774 1 57 . ALA . 18774 1 58 . ILE . 18774 1 59 . ALA . 18774 1 60 . ILE . 18774 1 61 . ILE . 18774 1 62 . GLN . 18774 1 63 . SER . 18774 1 64 . ASP . 18774 1 65 . LEU . 18774 1 66 . LYS . 18774 1 67 . PHE . 18774 1 68 . ASP . 18774 1 69 . VAL . 18774 1 70 . ILE . 18774 1 71 . PHE . 18774 1 72 . GLY . 18774 1 73 . PRO . 18774 1 74 . ALA . 18774 1 75 . TYR . 18774 1 76 . LYS . 18774 1 77 . GLY . 18774 1 78 . ILE . 18774 1 79 . PRO . 18774 1 80 . LEU . 18774 1 81 . ALA . 18774 1 82 . ALA . 18774 1 83 . ILE . 18774 1 84 . VAL . 18774 1 85 . CYS . 18774 1 86 . VAL . 18774 1 87 . LYS . 18774 1 88 . LEU . 18774 1 89 . ALA . 18774 1 90 . GLU . 18774 1 91 . ILE . 18774 1 92 . GLY . 18774 1 93 . GLY . 18774 1 94 . SER . 18774 1 95 . LYS . 18774 1 96 . PHE . 18774 1 97 . GLN . 18774 1 98 . ASN . 18774 1 99 . ILE . 18774 1 100 . GLN . 18774 1 101 . TYR . 18774 1 102 . ALA . 18774 1 103 . PHE . 18774 1 104 . ASN . 18774 1 105 . ARG . 18774 1 106 . LYS . 18774 1 107 . GLU . 18774 1 108 . ALA . 18774 1 109 . LYS . 18774 1 110 . ASP . 18774 1 111 . HIS . 18774 1 112 . GLY . 18774 1 113 . GLU . 18774 1 114 . GLY . 18774 1 115 . GLY . 18774 1 116 . ILE . 18774 1 117 . ILE . 18774 1 118 . VAL . 18774 1 119 . GLY . 18774 1 120 . SER . 18774 1 121 . ALA . 18774 1 122 . LEU . 18774 1 123 . GLU . 18774 1 124 . ASN . 18774 1 125 . LYS . 18774 1 126 . ARG . 18774 1 127 . ILE . 18774 1 128 . LEU . 18774 1 129 . ILE . 18774 1 130 . ILE . 18774 1 131 . ASP . 18774 1 132 . ASP . 18774 1 133 . VAL . 18774 1 134 . MET . 18774 1 135 . THR . 18774 1 136 . ALA . 18774 1 137 . GLY . 18774 1 138 . THR . 18774 1 139 . ALA . 18774 1 140 . ILE . 18774 1 141 . ASN . 18774 1 142 . GLU . 18774 1 143 . ALA . 18774 1 144 . PHE . 18774 1 145 . GLU . 18774 1 146 . ILE . 18774 1 147 . ILE . 18774 1 148 . SER . 18774 1 149 . ASN . 18774 1 150 . ALA . 18774 1 151 . LYS . 18774 1 152 . GLY . 18774 1 153 . GLN . 18774 1 154 . VAL . 18774 1 155 . VAL . 18774 1 156 . GLY . 18774 1 157 . SER . 18774 1 158 . ILE . 18774 1 159 . ILE . 18774 1 160 . ALA . 18774 1 161 . LEU . 18774 1 162 . ASP . 18774 1 163 . ARG . 18774 1 164 . GLN . 18774 1 165 . GLU . 18774 1 166 . VAL . 18774 1 167 . VAL . 18774 1 168 . SER . 18774 1 169 . THR . 18774 1 170 . ASP . 18774 1 171 . ASP . 18774 1 172 . LYS . 18774 1 173 . GLU . 18774 1 174 . GLY . 18774 1 175 . LEU . 18774 1 176 . SER . 18774 1 177 . ALA . 18774 1 178 . THR . 18774 1 179 . GLN . 18774 1 180 . THR . 18774 1 181 . VAL . 18774 1 182 . SER . 18774 1 183 . LYS . 18774 1 184 . LYS . 18774 1 185 . TYR . 18774 1 186 . GLY . 18774 1 187 . ILE . 18774 1 188 . PRO . 18774 1 189 . VAL . 18774 1 190 . LEU . 18774 1 191 . SER . 18774 1 192 . ILE . 18774 1 193 . VAL . 18774 1 194 . SER . 18774 1 195 . LEU . 18774 1 196 . ILE . 18774 1 197 . HIS . 18774 1 198 . ILE . 18774 1 199 . ILE . 18774 1 200 . THR . 18774 1 201 . TYR . 18774 1 202 . LEU . 18774 1 203 . GLU . 18774 1 204 . GLY . 18774 1 205 . ARG . 18774 1 206 . ILE . 18774 1 207 . THR . 18774 1 208 . ALA . 18774 1 209 . GLU . 18774 1 210 . GLU . 18774 1 211 . LYS . 18774 1 212 . SER . 18774 1 213 . LYS . 18774 1 214 . ILE . 18774 1 215 . GLU . 18774 1 216 . GLN . 18774 1 217 . TYR . 18774 1 218 . LEU . 18774 1 219 . GLN . 18774 1 220 . THR . 18774 1 221 . TYR . 18774 1 222 . GLY . 18774 1 223 . ALA . 18774 1 224 . SER . 18774 1 225 . ALA . 18774 1 226 . GLU . 18774 1 227 . ASN . 18774 1 228 . LEU . 18774 1 229 . TYR . 18774 1 230 . PHE . 18774 1 231 . GLN . 18774 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 . PRO 1 1 18774 1 . ILE 2 2 18774 1 . MET 3 3 18774 1 . LEU 4 4 18774 1 . GLU 5 5 18774 1 . ASP 6 6 18774 1 . TYR 7 7 18774 1 . GLN 8 8 18774 1 . LYS 9 9 18774 1 . ASN 10 10 18774 1 . PHE 11 11 18774 1 . LEU 12 12 18774 1 . GLU 13 13 18774 1 . LEU 14 14 18774 1 . ALA 15 15 18774 1 . ILE 16 16 18774 1 . GLU 17 17 18774 1 . CYS 18 18 18774 1 . GLN 19 19 18774 1 . ALA 20 20 18774 1 . LEU 21 21 18774 1 . ARG 22 22 18774 1 . PHE 23 23 18774 1 . GLY 24 24 18774 1 . SER 25 25 18774 1 . PHE 26 26 18774 1 . LYS 27 27 18774 1 . LEU 28 28 18774 1 . LYS 29 29 18774 1 . SER 30 30 18774 1 . GLY 31 31 18774 1 . ARG 32 32 18774 1 . GLU 33 33 18774 1 . SER 34 34 18774 1 . PRO 35 35 18774 1 . TYR 36 36 18774 1 . PHE 37 37 18774 1 . PHE 38 38 18774 1 . ASN 39 39 18774 1 . LEU 40 40 18774 1 . GLY 41 41 18774 1 . LEU 42 42 18774 1 . PHE 43 43 18774 1 . ASN 44 44 18774 1 . THR 45 45 18774 1 . GLY 46 46 18774 1 . LYS 47 47 18774 1 . LEU 48 48 18774 1 . LEU 49 49 18774 1 . SER 50 50 18774 1 . ASN 51 51 18774 1 . LEU 52 52 18774 1 . ALA 53 53 18774 1 . THR 54 54 18774 1 . ALA 55 55 18774 1 . TYR 56 56 18774 1 . ALA 57 57 18774 1 . ILE 58 58 18774 1 . ALA 59 59 18774 1 . ILE 60 60 18774 1 . ILE 61 61 18774 1 . GLN 62 62 18774 1 . SER 63 63 18774 1 . ASP 64 64 18774 1 . LEU 65 65 18774 1 . LYS 66 66 18774 1 . PHE 67 67 18774 1 . ASP 68 68 18774 1 . VAL 69 69 18774 1 . ILE 70 70 18774 1 . PHE 71 71 18774 1 . GLY 72 72 18774 1 . PRO 73 73 18774 1 . ALA 74 74 18774 1 . TYR 75 75 18774 1 . LYS 76 76 18774 1 . GLY 77 77 18774 1 . ILE 78 78 18774 1 . PRO 79 79 18774 1 . LEU 80 80 18774 1 . ALA 81 81 18774 1 . ALA 82 82 18774 1 . ILE 83 83 18774 1 . VAL 84 84 18774 1 . CYS 85 85 18774 1 . VAL 86 86 18774 1 . LYS 87 87 18774 1 . LEU 88 88 18774 1 . ALA 89 89 18774 1 . GLU 90 90 18774 1 . ILE 91 91 18774 1 . GLY 92 92 18774 1 . GLY 93 93 18774 1 . SER 94 94 18774 1 . LYS 95 95 18774 1 . PHE 96 96 18774 1 . GLN 97 97 18774 1 . ASN 98 98 18774 1 . ILE 99 99 18774 1 . GLN 100 100 18774 1 . TYR 101 101 18774 1 . ALA 102 102 18774 1 . PHE 103 103 18774 1 . ASN 104 104 18774 1 . ARG 105 105 18774 1 . LYS 106 106 18774 1 . GLU 107 107 18774 1 . ALA 108 108 18774 1 . LYS 109 109 18774 1 . ASP 110 110 18774 1 . HIS 111 111 18774 1 . GLY 112 112 18774 1 . GLU 113 113 18774 1 . GLY 114 114 18774 1 . GLY 115 115 18774 1 . ILE 116 116 18774 1 . ILE 117 117 18774 1 . VAL 118 118 18774 1 . GLY 119 119 18774 1 . SER 120 120 18774 1 . ALA 121 121 18774 1 . LEU 122 122 18774 1 . GLU 123 123 18774 1 . ASN 124 124 18774 1 . LYS 125 125 18774 1 . ARG 126 126 18774 1 . ILE 127 127 18774 1 . LEU 128 128 18774 1 . ILE 129 129 18774 1 . ILE 130 130 18774 1 . ASP 131 131 18774 1 . ASP 132 132 18774 1 . VAL 133 133 18774 1 . MET 134 134 18774 1 . THR 135 135 18774 1 . ALA 136 136 18774 1 . GLY 137 137 18774 1 . THR 138 138 18774 1 . ALA 139 139 18774 1 . ILE 140 140 18774 1 . ASN 141 141 18774 1 . GLU 142 142 18774 1 . ALA 143 143 18774 1 . PHE 144 144 18774 1 . GLU 145 145 18774 1 . ILE 146 146 18774 1 . ILE 147 147 18774 1 . SER 148 148 18774 1 . ASN 149 149 18774 1 . ALA 150 150 18774 1 . LYS 151 151 18774 1 . GLY 152 152 18774 1 . GLN 153 153 18774 1 . VAL 154 154 18774 1 . VAL 155 155 18774 1 . GLY 156 156 18774 1 . SER 157 157 18774 1 . ILE 158 158 18774 1 . ILE 159 159 18774 1 . ALA 160 160 18774 1 . LEU 161 161 18774 1 . ASP 162 162 18774 1 . ARG 163 163 18774 1 . GLN 164 164 18774 1 . GLU 165 165 18774 1 . VAL 166 166 18774 1 . VAL 167 167 18774 1 . SER 168 168 18774 1 . THR 169 169 18774 1 . ASP 170 170 18774 1 . ASP 171 171 18774 1 . LYS 172 172 18774 1 . GLU 173 173 18774 1 . GLY 174 174 18774 1 . LEU 175 175 18774 1 . SER 176 176 18774 1 . ALA 177 177 18774 1 . THR 178 178 18774 1 . GLN 179 179 18774 1 . THR 180 180 18774 1 . VAL 181 181 18774 1 . SER 182 182 18774 1 . LYS 183 183 18774 1 . LYS 184 184 18774 1 . TYR 185 185 18774 1 . GLY 186 186 18774 1 . ILE 187 187 18774 1 . PRO 188 188 18774 1 . VAL 189 189 18774 1 . LEU 190 190 18774 1 . SER 191 191 18774 1 . ILE 192 192 18774 1 . VAL 193 193 18774 1 . SER 194 194 18774 1 . LEU 195 195 18774 1 . ILE 196 196 18774 1 . HIS 197 197 18774 1 . ILE 198 198 18774 1 . ILE 199 199 18774 1 . THR 200 200 18774 1 . TYR 201 201 18774 1 . LEU 202 202 18774 1 . GLU 203 203 18774 1 . GLY 204 204 18774 1 . ARG 205 205 18774 1 . ILE 206 206 18774 1 . THR 207 207 18774 1 . ALA 208 208 18774 1 . GLU 209 209 18774 1 . GLU 210 210 18774 1 . LYS 211 211 18774 1 . SER 212 212 18774 1 . LYS 213 213 18774 1 . ILE 214 214 18774 1 . GLU 215 215 18774 1 . GLN 216 216 18774 1 . TYR 217 217 18774 1 . LEU 218 218 18774 1 . GLN 219 219 18774 1 . THR 220 220 18774 1 . TYR 221 221 18774 1 . GLY 222 222 18774 1 . ALA 223 223 18774 1 . SER 224 224 18774 1 . ALA 225 225 18774 1 . GLU 226 226 18774 1 . ASN 227 227 18774 1 . LEU 228 228 18774 1 . TYR 229 229 18774 1 . PHE 230 230 18774 1 . GLN 231 231 18774 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 18774 _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 $oprtase . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . . . . . . 18774 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 18774 _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 $oprtase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . 'pRSET B' . . . . . . 18774 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18774 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 oprtase '[U-13C; U-15N; U-2H]' . . 1 $oprtase . . 0.9 . . mM . . . . 18774 1 2 PIPES 'natural abundance' . . . . . . 80 . . mM . . . . 18774 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18774 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18774 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18774 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 18774 1 pH 6.8 . pH 18774 1 pressure 1 . atm 18774 1 temperature 298 . K 18774 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 18774 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 18774 2 pH 6.8 . pH 18774 2 pressure 1 . atm 18774 2 temperature 303 . K 18774 2 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18774 _Software.ID 1 _Software.Name VNMRJ _Software.Version 2.2D _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18774 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18774 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18774 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18774 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18774 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18774 _Software.ID 3 _Software.Name NMRPipe _Software.Version 7.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18774 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18774 3 stop_ save_ save_MDDNMR _Software.Sf_category software _Software.Sf_framecode MDDNMR _Software.Entry_ID 18774 _Software.ID 4 _Software.Name MDDNMR _Software.Version 2.1 _Software.Details 'Collection and processing of non-uniform sampled NMR data' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MDDNMR) Orekhov, Jaravine, Kazimierczuk' . . 18774 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18774 4 processing 18774 4 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 18774 _Software.ID 5 _Software.Name CCPN _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18774 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18774 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18774 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18774 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18774 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18774 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18774 1 2 spectrometer_2 Varian INOVA . 600 . . . 18774 1 3 spectrometer_3 Bruker Avance . 900 . . . 18774 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 18774 _Experiment_list.ID 1 _Experiment_list.Details 'All 3Ds on spectrometer_2 and spectrometer_3 were collected with NUS (30% sampling)' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18774 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18774 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18774 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18774 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18774 1 6 '3D HN(CA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18774 1 7 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18774 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18774 1 9 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18774 1 10 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18774 1 11 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18774 1 12 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18774 1 13 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18774 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18774 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18774 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18774 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18774 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18774 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 18774 1 2 '3D HNCO' . . . 18774 1 3 '3D HNCA' . . . 18774 1 4 '3D HN(CO)CA' . . . 18774 1 5 '3D HN(CA)CO' . . . 18774 1 6 '3D HN(CA)CB' . . . 18774 1 7 '3D HN(COCA)CB' . . . 18774 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 ILE C C 13 174.849 0.009 . 1 . . . . 2 ILE C . 18774 1 2 . 1 1 2 2 ILE CA C 13 60.355 0.053 . 1 . . . . 2 ILE CA . 18774 1 3 . 1 1 2 2 ILE CB C 13 37.489 0.056 . 1 . . . . 2 ILE CB . 18774 1 4 . 1 1 3 3 MET H H 1 8.431 0.003 . 1 . . . . 3 MET H . 18774 1 5 . 1 1 3 3 MET C C 13 175.351 0.016 . 1 . . . . 3 MET C . 18774 1 6 . 1 1 3 3 MET CA C 13 54.148 0.045 . 1 . . . . 3 MET CA . 18774 1 7 . 1 1 3 3 MET CB C 13 32.776 0.052 . 1 . . . . 3 MET CB . 18774 1 8 . 1 1 3 3 MET N N 15 125.422 0.029 . 1 . . . . 3 MET N . 18774 1 9 . 1 1 4 4 LEU H H 1 8.489 0.005 . 1 . . . . 4 LEU H . 18774 1 10 . 1 1 4 4 LEU C C 13 177.359 0.026 . 1 . . . . 4 LEU C . 18774 1 11 . 1 1 4 4 LEU CA C 13 54.571 0.040 . 1 . . . . 4 LEU CA . 18774 1 12 . 1 1 4 4 LEU CB C 13 42.557 0.037 . 1 . . . . 4 LEU CB . 18774 1 13 . 1 1 4 4 LEU N N 15 124.431 0.037 . 1 . . . . 4 LEU N . 18774 1 14 . 1 1 5 5 GLU H H 1 8.611 0.005 . 1 . . . . 5 GLU H . 18774 1 15 . 1 1 5 5 GLU C C 13 178.702 0.050 . 1 . . . . 5 GLU C . 18774 1 16 . 1 1 5 5 GLU CA C 13 54.850 0.072 . 1 . . . . 5 GLU CA . 18774 1 17 . 1 1 5 5 GLU CB C 13 31.015 0.127 . 1 . . . . 5 GLU CB . 18774 1 18 . 1 1 5 5 GLU N N 15 121.944 0.034 . 1 . . . . 5 GLU N . 18774 1 19 . 1 1 6 6 ASP H H 1 9.462 0.005 . 1 . . . . 6 ASP H . 18774 1 20 . 1 1 6 6 ASP C C 13 179.532 0.007 . 1 . . . . 6 ASP C . 18774 1 21 . 1 1 6 6 ASP CA C 13 58.516 0.076 . 1 . . . . 6 ASP CA . 18774 1 22 . 1 1 6 6 ASP CB C 13 38.806 0.089 . 1 . . . . 6 ASP CB . 18774 1 23 . 1 1 6 6 ASP N N 15 125.561 0.045 . 1 . . . . 6 ASP N . 18774 1 24 . 1 1 7 7 TYR H H 1 8.809 0.006 . 1 . . . . 7 TYR H . 18774 1 25 . 1 1 7 7 TYR C C 13 177.865 0.040 . 1 . . . . 7 TYR C . 18774 1 26 . 1 1 7 7 TYR CA C 13 59.881 0.067 . 1 . . . . 7 TYR CA . 18774 1 27 . 1 1 7 7 TYR CB C 13 36.088 0.050 . 1 . . . . 7 TYR CB . 18774 1 28 . 1 1 7 7 TYR N N 15 115.791 0.039 . 1 . . . . 7 TYR N . 18774 1 29 . 1 1 8 8 GLN H H 1 6.363 0.006 . 1 . . . . 8 GLN H . 18774 1 30 . 1 1 8 8 GLN C C 13 177.210 0.009 . 1 . . . . 8 GLN C . 18774 1 31 . 1 1 8 8 GLN CA C 13 58.033 0.049 . 1 . . . . 8 GLN CA . 18774 1 32 . 1 1 8 8 GLN CB C 13 28.549 0.095 . 1 . . . . 8 GLN CB . 18774 1 33 . 1 1 8 8 GLN N N 15 121.448 0.041 . 1 . . . . 8 GLN N . 18774 1 34 . 1 1 9 9 LYS H H 1 7.563 0.011 . 1 . . . . 9 LYS H . 18774 1 35 . 1 1 9 9 LYS C C 13 177.691 0.047 . 1 . . . . 9 LYS C . 18774 1 36 . 1 1 9 9 LYS CA C 13 60.027 0.078 . 1 . . . . 9 LYS CA . 18774 1 37 . 1 1 9 9 LYS CB C 13 31.453 0.042 . 1 . . . . 9 LYS CB . 18774 1 38 . 1 1 9 9 LYS N N 15 119.621 0.056 . 1 . . . . 9 LYS N . 18774 1 39 . 1 1 10 10 ASN H H 1 8.343 0.007 . 1 . . . . 10 ASN H . 18774 1 40 . 1 1 10 10 ASN C C 13 177.216 0.022 . 1 . . . . 10 ASN C . 18774 1 41 . 1 1 10 10 ASN CA C 13 55.920 0.041 . 1 . . . . 10 ASN CA . 18774 1 42 . 1 1 10 10 ASN CB C 13 37.965 0.062 . 1 . . . . 10 ASN CB . 18774 1 43 . 1 1 10 10 ASN N N 15 115.675 0.033 . 1 . . . . 10 ASN N . 18774 1 44 . 1 1 11 11 PHE H H 1 7.462 0.007 . 1 . . . . 11 PHE H . 18774 1 45 . 1 1 11 11 PHE C C 13 176.253 0.039 . 1 . . . . 11 PHE C . 18774 1 46 . 1 1 11 11 PHE CA C 13 61.240 0.080 . 1 . . . . 11 PHE CA . 18774 1 47 . 1 1 11 11 PHE CB C 13 38.536 0.081 . 1 . . . . 11 PHE CB . 18774 1 48 . 1 1 11 11 PHE N N 15 118.848 0.038 . 1 . . . . 11 PHE N . 18774 1 49 . 1 1 12 12 LEU H H 1 7.826 0.006 . 1 . . . . 12 LEU H . 18774 1 50 . 1 1 12 12 LEU C C 13 178.212 0.010 . 1 . . . . 12 LEU C . 18774 1 51 . 1 1 12 12 LEU CA C 13 57.402 0.038 . 1 . . . . 12 LEU CA . 18774 1 52 . 1 1 12 12 LEU CB C 13 40.271 0.077 . 1 . . . . 12 LEU CB . 18774 1 53 . 1 1 12 12 LEU N N 15 118.560 0.061 . 1 . . . . 12 LEU N . 18774 1 54 . 1 1 13 13 GLU H H 1 8.322 0.006 . 1 . . . . 13 GLU H . 18774 1 55 . 1 1 13 13 GLU C C 13 180.655 0.022 . 1 . . . . 13 GLU C . 18774 1 56 . 1 1 13 13 GLU CA C 13 59.373 0.029 . 1 . . . . 13 GLU CA . 18774 1 57 . 1 1 13 13 GLU CB C 13 28.709 0.046 . 1 . . . . 13 GLU CB . 18774 1 58 . 1 1 13 13 GLU N N 15 118.799 0.046 . 1 . . . . 13 GLU N . 18774 1 59 . 1 1 14 14 LEU H H 1 7.836 0.009 . 1 . . . . 14 LEU H . 18774 1 60 . 1 1 14 14 LEU C C 13 178.803 0.027 . 1 . . . . 14 LEU C . 18774 1 61 . 1 1 14 14 LEU CA C 13 56.932 0.082 . 1 . . . . 14 LEU CA . 18774 1 62 . 1 1 14 14 LEU CB C 13 40.823 0.074 . 1 . . . . 14 LEU CB . 18774 1 63 . 1 1 14 14 LEU N N 15 119.746 0.065 . 1 . . . . 14 LEU N . 18774 1 64 . 1 1 15 15 ALA H H 1 8.704 0.003 . 1 . . . . 15 ALA H . 18774 1 65 . 1 1 15 15 ALA C C 13 179.874 0.039 . 1 . . . . 15 ALA C . 18774 1 66 . 1 1 15 15 ALA CA C 13 54.428 0.053 . 1 . . . . 15 ALA CA . 18774 1 67 . 1 1 15 15 ALA CB C 13 16.601 0.054 . 1 . . . . 15 ALA CB . 18774 1 68 . 1 1 15 15 ALA N N 15 122.187 0.039 . 1 . . . . 15 ALA N . 18774 1 69 . 1 1 16 16 ILE H H 1 8.050 0.005 . 1 . . . . 16 ILE H . 18774 1 70 . 1 1 16 16 ILE C C 13 180.166 0.043 . 1 . . . . 16 ILE C . 18774 1 71 . 1 1 16 16 ILE CA C 13 63.602 0.079 . 1 . . . . 16 ILE CA . 18774 1 72 . 1 1 16 16 ILE CB C 13 37.325 0.096 . 1 . . . . 16 ILE CB . 18774 1 73 . 1 1 16 16 ILE N N 15 118.872 0.047 . 1 . . . . 16 ILE N . 18774 1 74 . 1 1 17 17 GLU H H 1 8.034 0.008 . 1 . . . . 17 GLU H . 18774 1 75 . 1 1 17 17 GLU C C 13 178.254 0.006 . 1 . . . . 17 GLU C . 18774 1 76 . 1 1 17 17 GLU CA C 13 59.691 0.048 . 1 . . . . 17 GLU CA . 18774 1 77 . 1 1 17 17 GLU CB C 13 29.247 0.050 . 1 . . . . 17 GLU CB . 18774 1 78 . 1 1 17 17 GLU N N 15 123.711 0.037 . 1 . . . . 17 GLU N . 18774 1 79 . 1 1 18 18 CYS H H 1 8.287 0.005 . 1 . . . . 18 CYS H . 18774 1 80 . 1 1 18 18 CYS C C 13 173.913 0.009 . 1 . . . . 18 CYS C . 18774 1 81 . 1 1 18 18 CYS CA C 13 57.407 0.068 . 1 . . . . 18 CYS CA . 18774 1 82 . 1 1 18 18 CYS CB C 13 28.655 0.050 . 1 . . . . 18 CYS CB . 18774 1 83 . 1 1 18 18 CYS N N 15 113.076 0.046 . 1 . . . . 18 CYS N . 18774 1 84 . 1 1 19 19 GLN H H 1 7.338 0.008 . 1 . . . . 19 GLN H . 18774 1 85 . 1 1 19 19 GLN C C 13 173.904 0.034 . 1 . . . . 19 GLN C . 18774 1 86 . 1 1 19 19 GLN CA C 13 57.895 0.051 . 1 . . . . 19 GLN CA . 18774 1 87 . 1 1 19 19 GLN CB C 13 24.897 0.123 . 1 . . . . 19 GLN CB . 18774 1 88 . 1 1 19 19 GLN N N 15 112.354 0.040 . 1 . . . . 19 GLN N . 18774 1 89 . 1 1 20 20 ALA H H 1 8.096 0.009 . 1 . . . . 20 ALA H . 18774 1 90 . 1 1 20 20 ALA C C 13 176.155 0.008 . 1 . . . . 20 ALA C . 18774 1 91 . 1 1 20 20 ALA CA C 13 54.328 0.057 . 1 . . . . 20 ALA CA . 18774 1 92 . 1 1 20 20 ALA CB C 13 20.155 0.047 . 1 . . . . 20 ALA CB . 18774 1 93 . 1 1 20 20 ALA N N 15 122.424 0.035 . 1 . . . . 20 ALA N . 18774 1 94 . 1 1 21 21 LEU H H 1 7.060 0.008 . 1 . . . . 21 LEU H . 18774 1 95 . 1 1 21 21 LEU C C 13 173.931 0.016 . 1 . . . . 21 LEU C . 18774 1 96 . 1 1 21 21 LEU CA C 13 52.570 0.036 . 1 . . . . 21 LEU CA . 18774 1 97 . 1 1 21 21 LEU CB C 13 44.377 0.098 . 1 . . . . 21 LEU CB . 18774 1 98 . 1 1 21 21 LEU N N 15 116.553 0.037 . 1 . . . . 21 LEU N . 18774 1 99 . 1 1 22 22 ARG H H 1 8.178 0.005 . 1 . . . . 22 ARG H . 18774 1 100 . 1 1 22 22 ARG C C 13 173.743 0.014 . 1 . . . . 22 ARG C . 18774 1 101 . 1 1 22 22 ARG CA C 13 53.619 0.032 . 1 . . . . 22 ARG CA . 18774 1 102 . 1 1 22 22 ARG CB C 13 34.162 0.035 . 1 . . . . 22 ARG CB . 18774 1 103 . 1 1 22 22 ARG N N 15 122.402 0.020 . 1 . . . . 22 ARG N . 18774 1 104 . 1 1 23 23 PHE H H 1 8.901 0.002 . 1 . . . . 23 PHE H . 18774 1 105 . 1 1 23 23 PHE C C 13 175.431 0.014 . 1 . . . . 23 PHE C . 18774 1 106 . 1 1 23 23 PHE CA C 13 57.345 0.040 . 1 . . . . 23 PHE CA . 18774 1 107 . 1 1 23 23 PHE CB C 13 40.580 0.057 . 1 . . . . 23 PHE CB . 18774 1 108 . 1 1 23 23 PHE N N 15 119.585 0.042 . 1 . . . . 23 PHE N . 18774 1 109 . 1 1 24 24 GLY H H 1 8.029 0.008 . 1 . . . . 24 GLY H . 18774 1 110 . 1 1 24 24 GLY C C 13 170.964 0.004 . 1 . . . . 24 GLY C . 18774 1 111 . 1 1 24 24 GLY CA C 13 45.690 0.027 . 1 . . . . 24 GLY CA . 18774 1 112 . 1 1 24 24 GLY N N 15 111.562 0.064 . 1 . . . . 24 GLY N . 18774 1 113 . 1 1 25 25 SER H H 1 7.569 0.001 . 1 . . . . 25 SER H . 18774 1 114 . 1 1 25 25 SER C C 13 173.288 0.009 . 1 . . . . 25 SER C . 18774 1 115 . 1 1 25 25 SER CA C 13 57.119 0.054 . 1 . . . . 25 SER CA . 18774 1 116 . 1 1 25 25 SER CB C 13 63.018 0.083 . 1 . . . . 25 SER CB . 18774 1 117 . 1 1 25 25 SER N N 15 118.510 0.047 . 1 . . . . 25 SER N . 18774 1 118 . 1 1 26 26 PHE H H 1 8.765 0.003 . 1 . . . . 26 PHE H . 18774 1 119 . 1 1 26 26 PHE C C 13 174.552 0.014 . 1 . . . . 26 PHE C . 18774 1 120 . 1 1 26 26 PHE CA C 13 56.411 0.068 . 1 . . . . 26 PHE CA . 18774 1 121 . 1 1 26 26 PHE CB C 13 40.108 0.066 . 1 . . . . 26 PHE CB . 18774 1 122 . 1 1 26 26 PHE N N 15 126.059 0.016 . 1 . . . . 26 PHE N . 18774 1 123 . 1 1 27 27 LYS H H 1 8.691 0.002 . 1 . . . . 27 LYS H . 18774 1 124 . 1 1 27 27 LYS C C 13 176.921 0.023 . 1 . . . . 27 LYS C . 18774 1 125 . 1 1 27 27 LYS CA C 13 55.993 0.089 . 1 . . . . 27 LYS CA . 18774 1 126 . 1 1 27 27 LYS CB C 13 31.785 0.060 . 1 . . . . 27 LYS CB . 18774 1 127 . 1 1 27 27 LYS N N 15 124.881 0.049 . 1 . . . . 27 LYS N . 18774 1 128 . 1 1 28 28 LEU H H 1 8.696 0.001 . 1 . . . . 28 LEU H . 18774 1 129 . 1 1 28 28 LEU C C 13 179.640 0.009 . 1 . . . . 28 LEU C . 18774 1 130 . 1 1 28 28 LEU CA C 13 53.763 0.033 . 1 . . . . 28 LEU CA . 18774 1 131 . 1 1 28 28 LEU CB C 13 41.710 0.045 . 1 . . . . 28 LEU CB . 18774 1 132 . 1 1 28 28 LEU N N 15 126.007 0.039 . 1 . . . . 28 LEU N . 18774 1 133 . 1 1 30 30 SER C C 13 175.678 0.026 . 1 . . . . 30 SER C . 18774 1 134 . 1 1 30 30 SER CA C 13 58.243 0.083 . 1 . . . . 30 SER CA . 18774 1 135 . 1 1 30 30 SER CB C 13 63.652 0.134 . 1 . . . . 30 SER CB . 18774 1 136 . 1 1 31 31 GLY H H 1 8.176 0.005 . 1 . . . . 31 GLY H . 18774 1 137 . 1 1 31 31 GLY C C 13 173.733 0.016 . 1 . . . . 31 GLY C . 18774 1 138 . 1 1 31 31 GLY CA C 13 44.644 0.041 . 1 . . . . 31 GLY CA . 18774 1 139 . 1 1 31 31 GLY N N 15 111.056 0.025 . 1 . . . . 31 GLY N . 18774 1 140 . 1 1 32 32 ARG H H 1 7.067 0.006 . 1 . . . . 32 ARG H . 18774 1 141 . 1 1 32 32 ARG C C 13 174.687 0.013 . 1 . . . . 32 ARG C . 18774 1 142 . 1 1 32 32 ARG CA C 13 55.731 0.035 . 1 . . . . 32 ARG CA . 18774 1 143 . 1 1 32 32 ARG CB C 13 30.978 0.039 . 1 . . . . 32 ARG CB . 18774 1 144 . 1 1 32 32 ARG N N 15 120.247 0.029 . 1 . . . . 32 ARG N . 18774 1 145 . 1 1 33 33 GLU H H 1 8.621 0.002 . 1 . . . . 33 GLU H . 18774 1 146 . 1 1 33 33 GLU C C 13 175.618 0.013 . 1 . . . . 33 GLU C . 18774 1 147 . 1 1 33 33 GLU CA C 13 55.234 0.079 . 1 . . . . 33 GLU CA . 18774 1 148 . 1 1 33 33 GLU CB C 13 29.346 0.074 . 1 . . . . 33 GLU CB . 18774 1 149 . 1 1 33 33 GLU N N 15 124.600 0.027 . 1 . . . . 33 GLU N . 18774 1 150 . 1 1 34 34 SER H H 1 8.882 0.005 . 1 . . . . 34 SER H . 18774 1 151 . 1 1 34 34 SER C C 13 174.605 0.004 . 1 . . . . 34 SER C . 18774 1 152 . 1 1 34 34 SER CA C 13 53.882 0.060 . 1 . . . . 34 SER CA . 18774 1 153 . 1 1 34 34 SER CB C 13 65.071 0.096 . 1 . . . . 34 SER CB . 18774 1 154 . 1 1 34 34 SER N N 15 120.939 0.049 . 1 . . . . 34 SER N . 18774 1 155 . 1 1 35 35 PRO C C 13 175.422 0.010 . 1 . . . . 35 PRO C . 18774 1 156 . 1 1 35 35 PRO CA C 13 62.869 0.051 . 1 . . . . 35 PRO CA . 18774 1 157 . 1 1 35 35 PRO CB C 13 30.640 0.054 . 1 . . . . 35 PRO CB . 18774 1 158 . 1 1 36 36 TYR H H 1 7.545 0.006 . 1 . . . . 36 TYR H . 18774 1 159 . 1 1 36 36 TYR C C 13 171.975 0.012 . 1 . . . . 36 TYR C . 18774 1 160 . 1 1 36 36 TYR CA C 13 55.738 0.049 . 1 . . . . 36 TYR CA . 18774 1 161 . 1 1 36 36 TYR CB C 13 41.160 0.022 . 1 . . . . 36 TYR CB . 18774 1 162 . 1 1 36 36 TYR N N 15 116.298 0.056 . 1 . . . . 36 TYR N . 18774 1 163 . 1 1 37 37 PHE H H 1 8.689 0.006 . 1 . . . . 37 PHE H . 18774 1 164 . 1 1 37 37 PHE C C 13 172.675 0.024 . 1 . . . . 37 PHE C . 18774 1 165 . 1 1 37 37 PHE CA C 13 56.273 0.040 . 1 . . . . 37 PHE CA . 18774 1 166 . 1 1 37 37 PHE CB C 13 40.457 0.091 . 1 . . . . 37 PHE CB . 18774 1 167 . 1 1 37 37 PHE N N 15 124.710 0.113 . 1 . . . . 37 PHE N . 18774 1 168 . 1 1 38 38 PHE H H 1 7.567 0.002 . 1 . . . . 38 PHE H . 18774 1 169 . 1 1 38 38 PHE C C 13 173.689 0.014 . 1 . . . . 38 PHE C . 18774 1 170 . 1 1 38 38 PHE CA C 13 54.988 0.069 . 1 . . . . 38 PHE CA . 18774 1 171 . 1 1 38 38 PHE CB C 13 42.256 0.038 . 1 . . . . 38 PHE CB . 18774 1 172 . 1 1 38 38 PHE N N 15 127.055 0.032 . 1 . . . . 38 PHE N . 18774 1 173 . 1 1 39 39 ASN H H 1 8.649 0.003 . 1 . . . . 39 ASN H . 18774 1 174 . 1 1 39 39 ASN C C 13 174.160 0.017 . 1 . . . . 39 ASN C . 18774 1 175 . 1 1 39 39 ASN CA C 13 51.283 0.040 . 1 . . . . 39 ASN CA . 18774 1 176 . 1 1 39 39 ASN CB C 13 39.278 0.067 . 1 . . . . 39 ASN CB . 18774 1 177 . 1 1 39 39 ASN N N 15 125.805 0.033 . 1 . . . . 39 ASN N . 18774 1 178 . 1 1 40 40 LEU H H 1 9.040 0.003 . 1 . . . . 40 LEU H . 18774 1 179 . 1 1 40 40 LEU C C 13 178.393 0.007 . 1 . . . . 40 LEU C . 18774 1 180 . 1 1 40 40 LEU CA C 13 55.690 0.050 . 1 . . . . 40 LEU CA . 18774 1 181 . 1 1 40 40 LEU CB C 13 41.529 0.039 . 1 . . . . 40 LEU CB . 18774 1 182 . 1 1 40 40 LEU N N 15 127.138 0.044 . 1 . . . . 40 LEU N . 18774 1 183 . 1 1 41 41 GLY H H 1 8.314 0.010 . 1 . . . . 41 GLY H . 18774 1 184 . 1 1 41 41 GLY C C 13 174.577 0.021 . 1 . . . . 41 GLY C . 18774 1 185 . 1 1 41 41 GLY CA C 13 45.840 0.032 . 1 . . . . 41 GLY CA . 18774 1 186 . 1 1 41 41 GLY N N 15 105.790 0.053 . 1 . . . . 41 GLY N . 18774 1 187 . 1 1 42 42 LEU H H 1 6.925 0.007 . 1 . . . . 42 LEU H . 18774 1 188 . 1 1 42 42 LEU C C 13 178.421 0.038 . 1 . . . . 42 LEU C . 18774 1 189 . 1 1 42 42 LEU CA C 13 55.130 0.097 . 1 . . . . 42 LEU CA . 18774 1 190 . 1 1 42 42 LEU CB C 13 39.022 0.058 . 1 . . . . 42 LEU CB . 18774 1 191 . 1 1 42 42 LEU N N 15 119.683 0.059 . 1 . . . . 42 LEU N . 18774 1 192 . 1 1 43 43 PHE H H 1 7.970 0.006 . 1 . . . . 43 PHE H . 18774 1 193 . 1 1 43 43 PHE C C 13 175.774 0.016 . 1 . . . . 43 PHE C . 18774 1 194 . 1 1 43 43 PHE CA C 13 57.283 0.050 . 1 . . . . 43 PHE CA . 18774 1 195 . 1 1 43 43 PHE CB C 13 36.187 0.049 . 1 . . . . 43 PHE CB . 18774 1 196 . 1 1 43 43 PHE N N 15 120.628 0.088 . 1 . . . . 43 PHE N . 18774 1 197 . 1 1 44 44 ASN H H 1 7.524 0.011 . 1 . . . . 44 ASN H . 18774 1 198 . 1 1 44 44 ASN C C 13 175.111 0.021 . 1 . . . . 44 ASN C . 18774 1 199 . 1 1 44 44 ASN CA C 13 52.573 0.071 . 1 . . . . 44 ASN CA . 18774 1 200 . 1 1 44 44 ASN CB C 13 37.877 0.110 . 1 . . . . 44 ASN CB . 18774 1 201 . 1 1 44 44 ASN N N 15 118.882 0.072 . 1 . . . . 44 ASN N . 18774 1 202 . 1 1 45 45 THR H H 1 7.029 0.008 . 1 . . . . 45 THR H . 18774 1 203 . 1 1 45 45 THR C C 13 176.642 0.011 . 1 . . . . 45 THR C . 18774 1 204 . 1 1 45 45 THR CA C 13 57.841 0.063 . 1 . . . . 45 THR CA . 18774 1 205 . 1 1 45 45 THR CB C 13 72.586 0.097 . 1 . . . . 45 THR CB . 18774 1 206 . 1 1 45 45 THR N N 15 106.791 0.032 . 1 . . . . 45 THR N . 18774 1 207 . 1 1 46 46 GLY H H 1 8.703 0.008 . 1 . . . . 46 GLY H . 18774 1 208 . 1 1 46 46 GLY C C 13 175.662 0.009 . 1 . . . . 46 GLY C . 18774 1 209 . 1 1 46 46 GLY CA C 13 49.633 0.095 . 1 . . . . 46 GLY CA . 18774 1 210 . 1 1 46 46 GLY N N 15 108.403 0.051 . 1 . . . . 46 GLY N . 18774 1 211 . 1 1 47 47 LYS H H 1 8.086 0.007 . 1 . . . . 47 LYS H . 18774 1 212 . 1 1 47 47 LYS C C 13 179.799 0.029 . 1 . . . . 47 LYS C . 18774 1 213 . 1 1 47 47 LYS CA C 13 59.363 0.047 . 1 . . . . 47 LYS CA . 18774 1 214 . 1 1 47 47 LYS CB C 13 32.055 0.165 . 1 . . . . 47 LYS CB . 18774 1 215 . 1 1 47 47 LYS N N 15 120.557 0.023 . 1 . . . . 47 LYS N . 18774 1 216 . 1 1 48 48 LEU H H 1 7.868 0.007 . 1 . . . . 48 LEU H . 18774 1 217 . 1 1 48 48 LEU C C 13 179.578 0.018 . 1 . . . . 48 LEU C . 18774 1 218 . 1 1 48 48 LEU CA C 13 58.404 0.037 . 1 . . . . 48 LEU CA . 18774 1 219 . 1 1 48 48 LEU CB C 13 40.738 0.055 . 1 . . . . 48 LEU CB . 18774 1 220 . 1 1 48 48 LEU N N 15 121.395 0.018 . 1 . . . . 48 LEU N . 18774 1 221 . 1 1 49 49 LEU H H 1 9.465 0.006 . 1 . . . . 49 LEU H . 18774 1 222 . 1 1 49 49 LEU C C 13 178.756 0.004 . 1 . . . . 49 LEU C . 18774 1 223 . 1 1 49 49 LEU CA C 13 57.791 0.049 . 1 . . . . 49 LEU CA . 18774 1 224 . 1 1 49 49 LEU CB C 13 42.995 0.057 . 1 . . . . 49 LEU CB . 18774 1 225 . 1 1 49 49 LEU N N 15 121.010 0.043 . 1 . . . . 49 LEU N . 18774 1 226 . 1 1 50 50 SER H H 1 8.364 0.005 . 1 . . . . 50 SER H . 18774 1 227 . 1 1 50 50 SER C C 13 178.221 0.004 . 1 . . . . 50 SER C . 18774 1 228 . 1 1 50 50 SER CA C 13 61.602 0.025 . 1 . . . . 50 SER CA . 18774 1 229 . 1 1 50 50 SER CB C 13 62.506 0.103 . 1 . . . . 50 SER CB . 18774 1 230 . 1 1 50 50 SER N N 15 113.960 0.052 . 1 . . . . 50 SER N . 18774 1 231 . 1 1 51 51 ASN H H 1 7.642 0.008 . 1 . . . . 51 ASN H . 18774 1 232 . 1 1 51 51 ASN C C 13 178.013 0.035 . 1 . . . . 51 ASN C . 18774 1 233 . 1 1 51 51 ASN CA C 13 57.028 0.047 . 1 . . . . 51 ASN CA . 18774 1 234 . 1 1 51 51 ASN CB C 13 40.405 0.058 . 1 . . . . 51 ASN CB . 18774 1 235 . 1 1 51 51 ASN N N 15 117.666 0.044 . 1 . . . . 51 ASN N . 18774 1 236 . 1 1 52 52 LEU H H 1 8.971 0.005 . 1 . . . . 52 LEU H . 18774 1 237 . 1 1 52 52 LEU C C 13 177.482 0.025 . 1 . . . . 52 LEU C . 18774 1 238 . 1 1 52 52 LEU CA C 13 57.794 0.030 . 1 . . . . 52 LEU CA . 18774 1 239 . 1 1 52 52 LEU CB C 13 41.591 0.036 . 1 . . . . 52 LEU CB . 18774 1 240 . 1 1 52 52 LEU N N 15 124.611 0.047 . 1 . . . . 52 LEU N . 18774 1 241 . 1 1 53 53 ALA H H 1 8.815 0.003 . 1 . . . . 53 ALA H . 18774 1 242 . 1 1 53 53 ALA C C 13 179.480 0.031 . 1 . . . . 53 ALA C . 18774 1 243 . 1 1 53 53 ALA CA C 13 54.728 0.032 . 1 . . . . 53 ALA CA . 18774 1 244 . 1 1 53 53 ALA CB C 13 17.478 0.026 . 1 . . . . 53 ALA CB . 18774 1 245 . 1 1 53 53 ALA N N 15 120.033 0.048 . 1 . . . . 53 ALA N . 18774 1 246 . 1 1 54 54 THR H H 1 7.719 0.007 . 1 . . . . 54 THR H . 18774 1 247 . 1 1 54 54 THR C C 13 174.171 0.392 . 1 . . . . 54 THR C . 18774 1 248 . 1 1 54 54 THR CA C 13 67.284 0.045 . 1 . . . . 54 THR CA . 18774 1 249 . 1 1 54 54 THR CB C 13 68.303 0.114 . 1 . . . . 54 THR CB . 18774 1 250 . 1 1 54 54 THR N N 15 114.628 0.039 . 1 . . . . 54 THR N . 18774 1 251 . 1 1 55 55 ALA H H 1 7.772 0.004 . 1 . . . . 55 ALA H . 18774 1 252 . 1 1 55 55 ALA C C 13 178.937 0.012 . 1 . . . . 55 ALA C . 18774 1 253 . 1 1 55 55 ALA CA C 13 55.680 0.037 . 1 . . . . 55 ALA CA . 18774 1 254 . 1 1 55 55 ALA CB C 13 17.321 0.106 . 1 . . . . 55 ALA CB . 18774 1 255 . 1 1 55 55 ALA N N 15 123.880 0.041 . 1 . . . . 55 ALA N . 18774 1 256 . 1 1 56 56 TYR H H 1 7.794 0.005 . 1 . . . . 56 TYR H . 18774 1 257 . 1 1 56 56 TYR C C 13 178.246 0.086 . 1 . . . . 56 TYR C . 18774 1 258 . 1 1 56 56 TYR CA C 13 62.141 0.010 . 1 . . . . 56 TYR CA . 18774 1 259 . 1 1 56 56 TYR CB C 13 40.822 0.101 . 1 . . . . 56 TYR CB . 18774 1 260 . 1 1 56 56 TYR N N 15 113.552 0.053 . 1 . . . . 56 TYR N . 18774 1 261 . 1 1 57 57 ALA H H 1 8.208 0.003 . 1 . . . . 57 ALA H . 18774 1 262 . 1 1 57 57 ALA C C 13 178.861 0.034 . 1 . . . . 57 ALA C . 18774 1 263 . 1 1 57 57 ALA CA C 13 55.273 0.049 . 1 . . . . 57 ALA CA . 18774 1 264 . 1 1 57 57 ALA CB C 13 17.425 0.039 . 1 . . . . 57 ALA CB . 18774 1 265 . 1 1 57 57 ALA N N 15 118.318 0.032 . 1 . . . . 57 ALA N . 18774 1 266 . 1 1 58 58 ILE H H 1 8.551 0.002 . 1 . . . . 58 ILE H . 18774 1 267 . 1 1 58 58 ILE C C 13 177.699 0.007 . 1 . . . . 58 ILE C . 18774 1 268 . 1 1 58 58 ILE CA C 13 65.303 0.039 . 1 . . . . 58 ILE CA . 18774 1 269 . 1 1 58 58 ILE CB C 13 36.499 0.050 . 1 . . . . 58 ILE CB . 18774 1 270 . 1 1 58 58 ILE N N 15 118.373 0.021 . 1 . . . . 58 ILE N . 18774 1 271 . 1 1 59 59 ALA H H 1 7.080 0.005 . 1 . . . . 59 ALA H . 18774 1 272 . 1 1 59 59 ALA C C 13 181.204 0.016 . 1 . . . . 59 ALA C . 18774 1 273 . 1 1 59 59 ALA CA C 13 54.938 0.014 . 1 . . . . 59 ALA CA . 18774 1 274 . 1 1 59 59 ALA CB C 13 17.242 0.063 . 1 . . . . 59 ALA CB . 18774 1 275 . 1 1 59 59 ALA N N 15 121.456 0.036 . 1 . . . . 59 ALA N . 18774 1 276 . 1 1 60 60 ILE H H 1 8.038 0.002 . 1 . . . . 60 ILE H . 18774 1 277 . 1 1 60 60 ILE C C 13 180.544 0.002 . 1 . . . . 60 ILE C . 18774 1 278 . 1 1 60 60 ILE CA C 13 65.172 0.041 . 1 . . . . 60 ILE CA . 18774 1 279 . 1 1 60 60 ILE CB C 13 37.320 0.050 . 1 . . . . 60 ILE CB . 18774 1 280 . 1 1 60 60 ILE N N 15 117.767 0.052 . 1 . . . . 60 ILE N . 18774 1 281 . 1 1 61 61 ILE H H 1 9.034 0.005 . 1 . . . . 61 ILE H . 18774 1 282 . 1 1 61 61 ILE C C 13 179.475 0.029 . 1 . . . . 61 ILE C . 18774 1 283 . 1 1 61 61 ILE CA C 13 65.915 0.062 . 1 . . . . 61 ILE CA . 18774 1 284 . 1 1 61 61 ILE CB C 13 37.536 0.119 . 1 . . . . 61 ILE CB . 18774 1 285 . 1 1 61 61 ILE N N 15 126.516 0.015 . 1 . . . . 61 ILE N . 18774 1 286 . 1 1 62 62 GLN H H 1 8.546 0.002 . 1 . . . . 62 GLN H . 18774 1 287 . 1 1 62 62 GLN C C 13 177.165 0.025 . 1 . . . . 62 GLN C . 18774 1 288 . 1 1 62 62 GLN CA C 13 57.762 0.056 . 1 . . . . 62 GLN CA . 18774 1 289 . 1 1 62 62 GLN CB C 13 27.288 0.042 . 1 . . . . 62 GLN CB . 18774 1 290 . 1 1 62 62 GLN N N 15 117.411 0.034 . 1 . . . . 62 GLN N . 18774 1 291 . 1 1 63 63 SER H H 1 7.493 0.009 . 1 . . . . 63 SER H . 18774 1 292 . 1 1 63 63 SER C C 13 175.008 0.022 . 1 . . . . 63 SER C . 18774 1 293 . 1 1 63 63 SER CA C 13 60.225 0.050 . 1 . . . . 63 SER CA . 18774 1 294 . 1 1 63 63 SER CB C 13 64.788 0.142 . 1 . . . . 63 SER CB . 18774 1 295 . 1 1 63 63 SER N N 15 114.904 0.059 . 1 . . . . 63 SER N . 18774 1 296 . 1 1 64 64 ASP H H 1 7.772 0.009 . 1 . . . . 64 ASP H . 18774 1 297 . 1 1 64 64 ASP C C 13 175.511 0.006 . 1 . . . . 64 ASP C . 18774 1 298 . 1 1 64 64 ASP CA C 13 55.492 0.055 . 1 . . . . 64 ASP CA . 18774 1 299 . 1 1 64 64 ASP CB C 13 40.651 0.152 . 1 . . . . 64 ASP CB . 18774 1 300 . 1 1 64 64 ASP N N 15 118.108 0.051 . 1 . . . . 64 ASP N . 18774 1 301 . 1 1 65 65 LEU H H 1 7.893 0.003 . 1 . . . . 65 LEU H . 18774 1 302 . 1 1 65 65 LEU C C 13 177.227 0.015 . 1 . . . . 65 LEU C . 18774 1 303 . 1 1 65 65 LEU CA C 13 55.833 0.033 . 1 . . . . 65 LEU CA . 18774 1 304 . 1 1 65 65 LEU CB C 13 42.538 0.042 . 1 . . . . 65 LEU CB . 18774 1 305 . 1 1 65 65 LEU N N 15 121.201 0.025 . 1 . . . . 65 LEU N . 18774 1 306 . 1 1 66 66 LYS H H 1 8.515 0.005 . 1 . . . . 66 LYS H . 18774 1 307 . 1 1 66 66 LYS C C 13 175.314 0.016 . 1 . . . . 66 LYS C . 18774 1 308 . 1 1 66 66 LYS CA C 13 54.692 0.035 . 1 . . . . 66 LYS CA . 18774 1 309 . 1 1 66 66 LYS CB C 13 31.609 0.054 . 1 . . . . 66 LYS CB . 18774 1 310 . 1 1 66 66 LYS N N 15 124.696 0.054 . 1 . . . . 66 LYS N . 18774 1 311 . 1 1 67 67 PHE H H 1 7.618 0.001 . 1 . . . . 67 PHE H . 18774 1 312 . 1 1 67 67 PHE C C 13 170.791 0.002 . 1 . . . . 67 PHE C . 18774 1 313 . 1 1 67 67 PHE CA C 13 55.657 0.039 . 1 . . . . 67 PHE CA . 18774 1 314 . 1 1 67 67 PHE CB C 13 38.912 0.077 . 1 . . . . 67 PHE CB . 18774 1 315 . 1 1 67 67 PHE N N 15 119.526 0.040 . 1 . . . . 67 PHE N . 18774 1 316 . 1 1 68 68 ASP H H 1 9.120 0.008 . 1 . . . . 68 ASP H . 18774 1 317 . 1 1 68 68 ASP C C 13 175.924 0.050 . 1 . . . . 68 ASP C . 18774 1 318 . 1 1 68 68 ASP CA C 13 55.601 0.009 . 1 . . . . 68 ASP CA . 18774 1 319 . 1 1 68 68 ASP CB C 13 45.682 0.001 . 1 . . . . 68 ASP CB . 18774 1 320 . 1 1 68 68 ASP N N 15 116.045 0.025 . 1 . . . . 68 ASP N . 18774 1 321 . 1 1 69 69 VAL C C 13 174.268 0.008 . 1 . . . . 69 VAL C . 18774 1 322 . 1 1 69 69 VAL CA C 13 59.512 0.011 . 1 . . . . 69 VAL CA . 18774 1 323 . 1 1 69 69 VAL CB C 13 36.633 0.062 . 1 . . . . 69 VAL CB . 18774 1 324 . 1 1 70 70 ILE H H 1 9.278 0.002 . 1 . . . . 70 ILE H . 18774 1 325 . 1 1 70 70 ILE C C 13 172.482 0.019 . 1 . . . . 70 ILE C . 18774 1 326 . 1 1 70 70 ILE CA C 13 58.809 0.014 . 1 . . . . 70 ILE CA . 18774 1 327 . 1 1 70 70 ILE CB C 13 40.164 0.024 . 1 . . . . 70 ILE CB . 18774 1 328 . 1 1 70 70 ILE N N 15 127.753 0.055 . 1 . . . . 70 ILE N . 18774 1 329 . 1 1 71 71 PHE H H 1 9.284 0.002 . 1 . . . . 71 PHE H . 18774 1 330 . 1 1 71 71 PHE C C 13 174.081 0.039 . 1 . . . . 71 PHE C . 18774 1 331 . 1 1 71 71 PHE CA C 13 54.895 0.028 . 1 . . . . 71 PHE CA . 18774 1 332 . 1 1 71 71 PHE CB C 13 43.436 0.041 . 1 . . . . 71 PHE CB . 18774 1 333 . 1 1 71 71 PHE N N 15 129.997 0.040 . 1 . . . . 71 PHE N . 18774 1 334 . 1 1 72 72 GLY H H 1 7.873 0.006 . 1 . . . . 72 GLY H . 18774 1 335 . 1 1 72 72 GLY C C 13 169.409 0.005 . 1 . . . . 72 GLY C . 18774 1 336 . 1 1 72 72 GLY CA C 13 42.375 0.002 . 1 . . . . 72 GLY CA . 18774 1 337 . 1 1 72 72 GLY N N 15 116.994 0.035 . 1 . . . . 72 GLY N . 18774 1 338 . 1 1 73 73 PRO C C 13 177.833 0.017 . 1 . . . . 73 PRO C . 18774 1 339 . 1 1 73 73 PRO CA C 13 60.430 0.039 . 1 . . . . 73 PRO CA . 18774 1 340 . 1 1 73 73 PRO CB C 13 31.651 0.131 . 1 . . . . 73 PRO CB . 18774 1 341 . 1 1 74 74 ALA H H 1 8.950 0.006 . 1 . . . . 74 ALA H . 18774 1 342 . 1 1 74 74 ALA C C 13 181.009 0.006 . 1 . . . . 74 ALA C . 18774 1 343 . 1 1 74 74 ALA CA C 13 48.205 0.002 . 1 . . . . 74 ALA CA . 18774 1 344 . 1 1 74 74 ALA CB C 13 16.996 0.050 . 1 . . . . 74 ALA CB . 18774 1 345 . 1 1 74 74 ALA N N 15 125.228 0.079 . 1 . . . . 74 ALA N . 18774 1 346 . 1 1 75 75 TYR C C 13 178.240 0.050 . 1 . . . . 75 TYR C . 18774 1 347 . 1 1 75 75 TYR CA C 13 64.899 0.044 . 1 . . . . 75 TYR CA . 18774 1 348 . 1 1 76 76 LYS H H 1 8.333 0.006 . 1 . . . . 76 LYS H . 18774 1 349 . 1 1 76 76 LYS C C 13 177.164 0.027 . 1 . . . . 76 LYS C . 18774 1 350 . 1 1 76 76 LYS CA C 13 58.996 0.051 . 1 . . . . 76 LYS CA . 18774 1 351 . 1 1 76 76 LYS CB C 13 31.493 0.047 . 1 . . . . 76 LYS CB . 18774 1 352 . 1 1 76 76 LYS N N 15 117.899 0.038 . 1 . . . . 76 LYS N . 18774 1 353 . 1 1 77 77 GLY H H 1 8.505 0.010 . 1 . . . . 77 GLY H . 18774 1 354 . 1 1 77 77 GLY C C 13 174.714 0.014 . 1 . . . . 77 GLY C . 18774 1 355 . 1 1 77 77 GLY CA C 13 45.507 0.035 . 1 . . . . 77 GLY CA . 18774 1 356 . 1 1 77 77 GLY N N 15 106.078 0.039 . 1 . . . . 77 GLY N . 18774 1 357 . 1 1 78 78 ILE H H 1 7.472 0.008 . 1 . . . . 78 ILE H . 18774 1 358 . 1 1 78 78 ILE C C 13 174.395 0.020 . 1 . . . . 78 ILE C . 18774 1 359 . 1 1 78 78 ILE CA C 13 66.784 0.017 . 1 . . . . 78 ILE CA . 18774 1 360 . 1 1 78 78 ILE CB C 13 33.318 0.050 . 1 . . . . 78 ILE CB . 18774 1 361 . 1 1 78 78 ILE N N 15 120.038 0.027 . 1 . . . . 78 ILE N . 18774 1 362 . 1 1 79 79 PRO C C 13 177.960 0.005 . 1 . . . . 79 PRO C . 18774 1 363 . 1 1 79 79 PRO CA C 13 64.841 0.043 . 1 . . . . 79 PRO CA . 18774 1 364 . 1 1 79 79 PRO CB C 13 30.973 0.033 . 1 . . . . 79 PRO CB . 18774 1 365 . 1 1 80 80 LEU H H 1 5.732 0.009 . 1 . . . . 80 LEU H . 18774 1 366 . 1 1 80 80 LEU C C 13 177.155 0.009 . 1 . . . . 80 LEU C . 18774 1 367 . 1 1 80 80 LEU CA C 13 56.517 0.033 . 1 . . . . 80 LEU CA . 18774 1 368 . 1 1 80 80 LEU CB C 13 40.297 0.111 . 1 . . . . 80 LEU CB . 18774 1 369 . 1 1 80 80 LEU N N 15 111.991 0.070 . 1 . . . . 80 LEU N . 18774 1 370 . 1 1 81 81 ALA H H 1 8.063 0.004 . 1 . . . . 81 ALA H . 18774 1 371 . 1 1 81 81 ALA C C 13 178.401 0.001 . 1 . . . . 81 ALA C . 18774 1 372 . 1 1 81 81 ALA CA C 13 55.230 0.054 . 1 . . . . 81 ALA CA . 18774 1 373 . 1 1 81 81 ALA CB C 13 16.888 0.072 . 1 . . . . 81 ALA CB . 18774 1 374 . 1 1 81 81 ALA N N 15 119.554 0.048 . 1 . . . . 81 ALA N . 18774 1 375 . 1 1 82 82 ALA H H 1 6.949 0.006 . 1 . . . . 82 ALA H . 18774 1 376 . 1 1 82 82 ALA C C 13 178.513 0.042 . 1 . . . . 82 ALA C . 18774 1 377 . 1 1 82 82 ALA CA C 13 55.033 0.088 . 1 . . . . 82 ALA CA . 18774 1 378 . 1 1 82 82 ALA CB C 13 17.310 0.121 . 1 . . . . 82 ALA CB . 18774 1 379 . 1 1 82 82 ALA N N 15 116.816 0.043 . 1 . . . . 82 ALA N . 18774 1 380 . 1 1 83 83 ILE H H 1 7.920 0.004 . 1 . . . . 83 ILE H . 18774 1 381 . 1 1 83 83 ILE C C 13 179.293 0.012 . 1 . . . . 83 ILE C . 18774 1 382 . 1 1 83 83 ILE CA C 13 64.730 0.062 . 1 . . . . 83 ILE CA . 18774 1 383 . 1 1 83 83 ILE CB C 13 35.477 0.050 . 1 . . . . 83 ILE CB . 18774 1 384 . 1 1 83 83 ILE N N 15 108.833 0.049 . 1 . . . . 83 ILE N . 18774 1 385 . 1 1 84 84 VAL H H 1 7.911 0.002 . 1 . . . . 84 VAL H . 18774 1 386 . 1 1 84 84 VAL C C 13 176.027 0.014 . 1 . . . . 84 VAL C . 18774 1 387 . 1 1 84 84 VAL CA C 13 66.434 0.007 . 1 . . . . 84 VAL CA . 18774 1 388 . 1 1 84 84 VAL CB C 13 30.287 0.050 . 1 . . . . 84 VAL CB . 18774 1 389 . 1 1 84 84 VAL N N 15 123.903 0.066 . 1 . . . . 84 VAL N . 18774 1 390 . 1 1 85 85 CYS H H 1 7.890 0.003 . 1 . . . . 85 CYS H . 18774 1 391 . 1 1 85 85 CYS C C 13 176.458 0.044 . 1 . . . . 85 CYS C . 18774 1 392 . 1 1 85 85 CYS CA C 13 63.691 0.024 . 1 . . . . 85 CYS CA . 18774 1 393 . 1 1 85 85 CYS CB C 13 25.902 0.050 . 1 . . . . 85 CYS CB . 18774 1 394 . 1 1 85 85 CYS N N 15 121.841 0.090 . 1 . . . . 85 CYS N . 18774 1 395 . 1 1 86 86 VAL H H 1 7.198 0.002 . 1 . . . . 86 VAL H . 18774 1 396 . 1 1 86 86 VAL C C 13 177.740 0.006 . 1 . . . . 86 VAL C . 18774 1 397 . 1 1 86 86 VAL CA C 13 66.282 0.041 . 1 . . . . 86 VAL CA . 18774 1 398 . 1 1 86 86 VAL CB C 13 30.999 0.018 . 1 . . . . 86 VAL CB . 18774 1 399 . 1 1 86 86 VAL N N 15 115.283 0.061 . 1 . . . . 86 VAL N . 18774 1 400 . 1 1 87 87 LYS H H 1 7.669 0.005 . 1 . . . . 87 LYS H . 18774 1 401 . 1 1 87 87 LYS C C 13 178.827 0.015 . 1 . . . . 87 LYS C . 18774 1 402 . 1 1 87 87 LYS CA C 13 56.490 0.065 . 1 . . . . 87 LYS CA . 18774 1 403 . 1 1 87 87 LYS CB C 13 29.754 0.019 . 1 . . . . 87 LYS CB . 18774 1 404 . 1 1 87 87 LYS N N 15 118.156 0.033 . 1 . . . . 87 LYS N . 18774 1 405 . 1 1 88 88 LEU H H 1 8.723 0.003 . 1 . . . . 88 LEU H . 18774 1 406 . 1 1 88 88 LEU C C 13 178.767 0.025 . 1 . . . . 88 LEU C . 18774 1 407 . 1 1 88 88 LEU CA C 13 58.065 0.044 . 1 . . . . 88 LEU CA . 18774 1 408 . 1 1 88 88 LEU CB C 13 40.803 0.113 . 1 . . . . 88 LEU CB . 18774 1 409 . 1 1 88 88 LEU N N 15 119.129 0.030 . 1 . . . . 88 LEU N . 18774 1 410 . 1 1 89 89 ALA H H 1 7.056 0.008 . 1 . . . . 89 ALA H . 18774 1 411 . 1 1 89 89 ALA C C 13 179.974 0.017 . 1 . . . . 89 ALA C . 18774 1 412 . 1 1 89 89 ALA CA C 13 54.113 0.031 . 1 . . . . 89 ALA CA . 18774 1 413 . 1 1 89 89 ALA CB C 13 17.307 0.043 . 1 . . . . 89 ALA CB . 18774 1 414 . 1 1 89 89 ALA N N 15 119.184 0.053 . 1 . . . . 89 ALA N . 18774 1 415 . 1 1 90 90 GLU H H 1 8.006 0.006 . 1 . . . . 90 GLU H . 18774 1 416 . 1 1 90 90 GLU C C 13 179.541 0.024 . 1 . . . . 90 GLU C . 18774 1 417 . 1 1 90 90 GLU CA C 13 58.625 0.083 . 1 . . . . 90 GLU CA . 18774 1 418 . 1 1 90 90 GLU CB C 13 29.128 0.133 . 1 . . . . 90 GLU CB . 18774 1 419 . 1 1 90 90 GLU N N 15 118.151 0.040 . 1 . . . . 90 GLU N . 18774 1 420 . 1 1 91 91 ILE H H 1 8.387 0.010 . 1 . . . . 91 ILE H . 18774 1 421 . 1 1 91 91 ILE C C 13 178.024 0.019 . 1 . . . . 91 ILE C . 18774 1 422 . 1 1 91 91 ILE CA C 13 61.291 0.090 . 1 . . . . 91 ILE CA . 18774 1 423 . 1 1 91 91 ILE CB C 13 38.578 0.038 . 1 . . . . 91 ILE CB . 18774 1 424 . 1 1 91 91 ILE N N 15 111.472 0.070 . 1 . . . . 91 ILE N . 18774 1 425 . 1 1 92 92 GLY H H 1 8.096 0.007 . 1 . . . . 92 GLY H . 18774 1 426 . 1 1 92 92 GLY C C 13 174.944 0.012 . 1 . . . . 92 GLY C . 18774 1 427 . 1 1 92 92 GLY CA C 13 45.666 0.050 . 1 . . . . 92 GLY CA . 18774 1 428 . 1 1 92 92 GLY N N 15 110.983 0.051 . 1 . . . . 92 GLY N . 18774 1 429 . 1 1 93 93 GLY H H 1 7.979 0.006 . 1 . . . . 93 GLY H . 18774 1 430 . 1 1 93 93 GLY C C 13 176.368 0.015 . 1 . . . . 93 GLY C . 18774 1 431 . 1 1 93 93 GLY CA C 13 44.760 0.032 . 1 . . . . 93 GLY CA . 18774 1 432 . 1 1 93 93 GLY N N 15 108.617 0.081 . 1 . . . . 93 GLY N . 18774 1 433 . 1 1 95 95 LYS C C 13 177.350 0.023 . 1 . . . . 95 LYS C . 18774 1 434 . 1 1 95 95 LYS CA C 13 58.128 0.080 . 1 . . . . 95 LYS CA . 18774 1 435 . 1 1 95 95 LYS CB C 13 31.683 0.017 . 1 . . . . 95 LYS CB . 18774 1 436 . 1 1 96 96 PHE H H 1 7.654 0.008 . 1 . . . . 96 PHE H . 18774 1 437 . 1 1 96 96 PHE C C 13 175.679 0.007 . 1 . . . . 96 PHE C . 18774 1 438 . 1 1 96 96 PHE CA C 13 57.802 0.058 . 1 . . . . 96 PHE CA . 18774 1 439 . 1 1 96 96 PHE CB C 13 39.885 0.120 . 1 . . . . 96 PHE CB . 18774 1 440 . 1 1 96 96 PHE N N 15 115.173 0.051 . 1 . . . . 96 PHE N . 18774 1 441 . 1 1 97 97 GLN H H 1 7.252 0.007 . 1 . . . . 97 GLN H . 18774 1 442 . 1 1 97 97 GLN C C 13 175.711 0.025 . 1 . . . . 97 GLN C . 18774 1 443 . 1 1 97 97 GLN CA C 13 58.535 0.054 . 1 . . . . 97 GLN CA . 18774 1 444 . 1 1 97 97 GLN CB C 13 28.396 0.064 . 1 . . . . 97 GLN CB . 18774 1 445 . 1 1 97 97 GLN N N 15 117.276 0.054 . 1 . . . . 97 GLN N . 18774 1 446 . 1 1 98 98 ASN H H 1 8.271 0.004 . 1 . . . . 98 ASN H . 18774 1 447 . 1 1 98 98 ASN C C 13 175.607 0.012 . 1 . . . . 98 ASN C . 18774 1 448 . 1 1 98 98 ASN CA C 13 51.894 0.052 . 1 . . . . 98 ASN CA . 18774 1 449 . 1 1 98 98 ASN CB C 13 38.248 0.076 . 1 . . . . 98 ASN CB . 18774 1 450 . 1 1 98 98 ASN N N 15 112.473 0.056 . 1 . . . . 98 ASN N . 18774 1 451 . 1 1 99 99 ILE H H 1 6.941 0.008 . 1 . . . . 99 ILE H . 18774 1 452 . 1 1 99 99 ILE C C 13 174.642 0.019 . 1 . . . . 99 ILE C . 18774 1 453 . 1 1 99 99 ILE CA C 13 60.251 0.040 . 1 . . . . 99 ILE CA . 18774 1 454 . 1 1 99 99 ILE CB C 13 36.324 0.028 . 1 . . . . 99 ILE CB . 18774 1 455 . 1 1 99 99 ILE N N 15 121.463 0.075 . 1 . . . . 99 ILE N . 18774 1 456 . 1 1 100 100 GLN H H 1 7.652 0.009 . 1 . . . . 100 GLN H . 18774 1 457 . 1 1 100 100 GLN C C 13 174.810 0.020 . 1 . . . . 100 GLN C . 18774 1 458 . 1 1 100 100 GLN CA C 13 54.315 0.047 . 1 . . . . 100 GLN CA . 18774 1 459 . 1 1 100 100 GLN CB C 13 31.894 0.062 . 1 . . . . 100 GLN CB . 18774 1 460 . 1 1 100 100 GLN N N 15 123.859 0.049 . 1 . . . . 100 GLN N . 18774 1 461 . 1 1 101 101 TYR H H 1 8.208 0.008 . 1 . . . . 101 TYR H . 18774 1 462 . 1 1 101 101 TYR C C 13 173.201 0.013 . 1 . . . . 101 TYR C . 18774 1 463 . 1 1 101 101 TYR CA C 13 54.504 0.028 . 1 . . . . 101 TYR CA . 18774 1 464 . 1 1 101 101 TYR CB C 13 41.220 0.076 . 1 . . . . 101 TYR CB . 18774 1 465 . 1 1 101 101 TYR N N 15 119.870 0.054 . 1 . . . . 101 TYR N . 18774 1 466 . 1 1 102 102 ALA H H 1 8.362 0.005 . 1 . . . . 102 ALA H . 18774 1 467 . 1 1 102 102 ALA C C 13 173.875 0.004 . 1 . . . . 102 ALA C . 18774 1 468 . 1 1 102 102 ALA CA C 13 50.676 0.034 . 1 . . . . 102 ALA CA . 18774 1 469 . 1 1 102 102 ALA CB C 13 24.042 0.046 . 1 . . . . 102 ALA CB . 18774 1 470 . 1 1 102 102 ALA N N 15 122.496 0.047 . 1 . . . . 102 ALA N . 18774 1 471 . 1 1 103 103 PHE H H 1 7.874 0.009 . 1 . . . . 103 PHE H . 18774 1 472 . 1 1 103 103 PHE C C 13 171.921 0.017 . 1 . . . . 103 PHE C . 18774 1 473 . 1 1 103 103 PHE CA C 13 56.030 0.056 . 1 . . . . 103 PHE CA . 18774 1 474 . 1 1 103 103 PHE CB C 13 41.425 0.061 . 1 . . . . 103 PHE CB . 18774 1 475 . 1 1 103 103 PHE N N 15 112.194 0.056 . 1 . . . . 103 PHE N . 18774 1 476 . 1 1 104 104 ASN H H 1 8.176 0.012 . 1 . . . . 104 ASN H . 18774 1 477 . 1 1 104 104 ASN C C 13 173.000 0.028 . 1 . . . . 104 ASN C . 18774 1 478 . 1 1 104 104 ASN CA C 13 51.220 0.051 . 1 . . . . 104 ASN CA . 18774 1 479 . 1 1 104 104 ASN CB C 13 38.913 0.065 . 1 . . . . 104 ASN CB . 18774 1 480 . 1 1 104 104 ASN N N 15 114.053 0.052 . 1 . . . . 104 ASN N . 18774 1 481 . 1 1 105 105 ARG H H 1 8.121 0.003 . 1 . . . . 105 ARG H . 18774 1 482 . 1 1 105 105 ARG C C 13 177.473 0.027 . 1 . . . . 105 ARG C . 18774 1 483 . 1 1 105 105 ARG CA C 13 54.676 0.040 . 1 . . . . 105 ARG CA . 18774 1 484 . 1 1 105 105 ARG CB C 13 30.539 0.031 . 1 . . . . 105 ARG CB . 18774 1 485 . 1 1 105 105 ARG N N 15 115.204 0.041 . 1 . . . . 105 ARG N . 18774 1 486 . 1 1 106 106 LYS H H 1 7.901 0.005 . 1 . . . . 106 LYS H . 18774 1 487 . 1 1 106 106 LYS C C 13 176.575 0.075 . 1 . . . . 106 LYS C . 18774 1 488 . 1 1 106 106 LYS CA C 13 56.546 0.035 . 1 . . . . 106 LYS CA . 18774 1 489 . 1 1 106 106 LYS CB C 13 31.465 0.061 . 1 . . . . 106 LYS CB . 18774 1 490 . 1 1 106 106 LYS N N 15 122.133 0.077 . 1 . . . . 106 LYS N . 18774 1 491 . 1 1 107 107 GLU H H 1 7.910 0.006 . 1 . . . . 107 GLU H . 18774 1 492 . 1 1 107 107 GLU C C 13 175.519 0.007 . 1 . . . . 107 GLU C . 18774 1 493 . 1 1 107 107 GLU CA C 13 55.988 0.051 . 1 . . . . 107 GLU CA . 18774 1 494 . 1 1 107 107 GLU CB C 13 29.666 0.039 . 1 . . . . 107 GLU CB . 18774 1 495 . 1 1 107 107 GLU N N 15 117.803 0.064 . 1 . . . . 107 GLU N . 18774 1 496 . 1 1 108 108 ALA H H 1 8.244 0.003 . 1 . . . . 108 ALA H . 18774 1 497 . 1 1 108 108 ALA C C 13 177.712 0.031 . 1 . . . . 108 ALA C . 18774 1 498 . 1 1 108 108 ALA CA C 13 52.123 0.032 . 1 . . . . 108 ALA CA . 18774 1 499 . 1 1 108 108 ALA CB C 13 18.960 0.044 . 1 . . . . 108 ALA CB . 18774 1 500 . 1 1 108 108 ALA N N 15 125.294 0.037 . 1 . . . . 108 ALA N . 18774 1 501 . 1 1 109 109 LYS H H 1 8.292 0.003 . 1 . . . . 109 LYS H . 18774 1 502 . 1 1 109 109 LYS C C 13 176.552 0.008 . 1 . . . . 109 LYS C . 18774 1 503 . 1 1 109 109 LYS CA C 13 56.473 0.019 . 1 . . . . 109 LYS CA . 18774 1 504 . 1 1 109 109 LYS CB C 13 32.176 0.041 . 1 . . . . 109 LYS CB . 18774 1 505 . 1 1 109 109 LYS N N 15 120.197 0.040 . 1 . . . . 109 LYS N . 18774 1 506 . 1 1 110 110 ASP H H 1 8.183 0.001 . 1 . . . . 110 ASP H . 18774 1 507 . 1 1 110 110 ASP C C 13 176.243 0.016 . 1 . . . . 110 ASP C . 18774 1 508 . 1 1 110 110 ASP CA C 13 54.171 0.034 . 1 . . . . 110 ASP CA . 18774 1 509 . 1 1 110 110 ASP CB C 13 40.628 0.089 . 1 . . . . 110 ASP CB . 18774 1 510 . 1 1 110 110 ASP N N 15 119.619 0.035 . 1 . . . . 110 ASP N . 18774 1 511 . 1 1 111 111 HIS C C 13 175.980 0.010 . 1 . . . . 111 HIS C . 18774 1 512 . 1 1 111 111 HIS CA C 13 56.261 0.026 . 1 . . . . 111 HIS CA . 18774 1 513 . 1 1 111 111 HIS CB C 13 29.343 0.076 . 1 . . . . 111 HIS CB . 18774 1 514 . 1 1 112 112 GLY H H 1 8.371 0.002 . 1 . . . . 112 GLY H . 18774 1 515 . 1 1 112 112 GLY C C 13 174.668 0.010 . 1 . . . . 112 GLY C . 18774 1 516 . 1 1 112 112 GLY CA C 13 45.238 0.034 . 1 . . . . 112 GLY CA . 18774 1 517 . 1 1 112 112 GLY N N 15 109.495 0.025 . 1 . . . . 112 GLY N . 18774 1 518 . 1 1 113 113 GLU H H 1 8.329 0.002 . 1 . . . . 113 GLU H . 18774 1 519 . 1 1 113 113 GLU C C 13 177.177 0.010 . 1 . . . . 113 GLU C . 18774 1 520 . 1 1 113 113 GLU CA C 13 56.508 0.052 . 1 . . . . 113 GLU CA . 18774 1 521 . 1 1 113 113 GLU CB C 13 29.379 0.056 . 1 . . . . 113 GLU CB . 18774 1 522 . 1 1 113 113 GLU N N 15 121.180 0.023 . 1 . . . . 113 GLU N . 18774 1 523 . 1 1 114 114 GLY H H 1 8.391 0.002 . 1 . . . . 114 GLY H . 18774 1 524 . 1 1 114 114 GLY C C 13 174.814 0.021 . 1 . . . . 114 GLY C . 18774 1 525 . 1 1 114 114 GLY CA C 13 44.993 0.037 . 1 . . . . 114 GLY CA . 18774 1 526 . 1 1 114 114 GLY N N 15 109.818 0.052 . 1 . . . . 114 GLY N . 18774 1 527 . 1 1 115 115 GLY H H 1 8.107 0.002 . 1 . . . . 115 GLY H . 18774 1 528 . 1 1 115 115 GLY C C 13 174.280 0.023 . 1 . . . . 115 GLY C . 18774 1 529 . 1 1 115 115 GLY CA C 13 44.978 0.032 . 1 . . . . 115 GLY CA . 18774 1 530 . 1 1 115 115 GLY N N 15 109.047 0.037 . 1 . . . . 115 GLY N . 18774 1 531 . 1 1 116 116 ILE H H 1 8.058 0.002 . 1 . . . . 116 ILE H . 18774 1 532 . 1 1 116 116 ILE C C 13 174.804 0.014 . 1 . . . . 116 ILE C . 18774 1 533 . 1 1 116 116 ILE CA C 13 62.024 0.088 . 1 . . . . 116 ILE CA . 18774 1 534 . 1 1 116 116 ILE CB C 13 38.276 0.066 . 1 . . . . 116 ILE CB . 18774 1 535 . 1 1 116 116 ILE N N 15 119.035 0.033 . 1 . . . . 116 ILE N . 18774 1 536 . 1 1 117 117 ILE H H 1 7.653 0.003 . 1 . . . . 117 ILE H . 18774 1 537 . 1 1 117 117 ILE C C 13 175.734 0.031 . 1 . . . . 117 ILE C . 18774 1 538 . 1 1 117 117 ILE CA C 13 58.833 0.078 . 1 . . . . 117 ILE CA . 18774 1 539 . 1 1 117 117 ILE CB C 13 36.370 0.059 . 1 . . . . 117 ILE CB . 18774 1 540 . 1 1 117 117 ILE N N 15 119.303 0.033 . 1 . . . . 117 ILE N . 18774 1 541 . 1 1 118 118 VAL H H 1 8.708 0.003 . 1 . . . . 118 VAL H . 18774 1 542 . 1 1 118 118 VAL C C 13 174.337 0.012 . 1 . . . . 118 VAL C . 18774 1 543 . 1 1 118 118 VAL CA C 13 60.923 0.051 . 1 . . . . 118 VAL CA . 18774 1 544 . 1 1 118 118 VAL CB C 13 30.667 0.058 . 1 . . . . 118 VAL CB . 18774 1 545 . 1 1 118 118 VAL N N 15 130.819 0.065 . 1 . . . . 118 VAL N . 18774 1 546 . 1 1 119 119 GLY H H 1 7.899 0.002 . 1 . . . . 119 GLY H . 18774 1 547 . 1 1 119 119 GLY C C 13 174.354 0.016 . 1 . . . . 119 GLY C . 18774 1 548 . 1 1 119 119 GLY CA C 13 44.054 0.029 . 1 . . . . 119 GLY CA . 18774 1 549 . 1 1 119 119 GLY N N 15 112.883 0.031 . 1 . . . . 119 GLY N . 18774 1 550 . 1 1 120 120 SER H H 1 7.552 0.005 . 1 . . . . 120 SER H . 18774 1 551 . 1 1 120 120 SER C C 13 172.642 0.011 . 1 . . . . 120 SER C . 18774 1 552 . 1 1 120 120 SER CA C 13 58.242 0.055 . 1 . . . . 120 SER CA . 18774 1 553 . 1 1 120 120 SER CB C 13 64.268 0.115 . 1 . . . . 120 SER CB . 18774 1 554 . 1 1 120 120 SER N N 15 116.292 0.043 . 1 . . . . 120 SER N . 18774 1 555 . 1 1 121 121 ALA H H 1 7.912 0.003 . 1 . . . . 121 ALA H . 18774 1 556 . 1 1 121 121 ALA C C 13 178.984 0.017 . 1 . . . . 121 ALA C . 18774 1 557 . 1 1 121 121 ALA CA C 13 51.919 0.034 . 1 . . . . 121 ALA CA . 18774 1 558 . 1 1 121 121 ALA CB C 13 18.189 0.048 . 1 . . . . 121 ALA CB . 18774 1 559 . 1 1 121 121 ALA N N 15 123.427 0.033 . 1 . . . . 121 ALA N . 18774 1 560 . 1 1 122 122 LEU H H 1 8.256 0.003 . 1 . . . . 122 LEU H . 18774 1 561 . 1 1 122 122 LEU C C 13 176.224 0.009 . 1 . . . . 122 LEU C . 18774 1 562 . 1 1 122 122 LEU CA C 13 54.403 0.069 . 1 . . . . 122 LEU CA . 18774 1 563 . 1 1 122 122 LEU CB C 13 40.518 0.054 . 1 . . . . 122 LEU CB . 18774 1 564 . 1 1 122 122 LEU N N 15 118.784 0.071 . 1 . . . . 122 LEU N . 18774 1 565 . 1 1 123 123 GLU H H 1 7.225 0.005 . 1 . . . . 123 GLU H . 18774 1 566 . 1 1 123 123 GLU C C 13 177.223 0.011 . 1 . . . . 123 GLU C . 18774 1 567 . 1 1 123 123 GLU CA C 13 57.455 0.044 . 1 . . . . 123 GLU CA . 18774 1 568 . 1 1 123 123 GLU CB C 13 28.217 0.041 . 1 . . . . 123 GLU CB . 18774 1 569 . 1 1 123 123 GLU N N 15 118.249 0.050 . 1 . . . . 123 GLU N . 18774 1 570 . 1 1 124 124 ASN H H 1 8.430 0.007 . 1 . . . . 124 ASN H . 18774 1 571 . 1 1 124 124 ASN C C 13 174.401 0.013 . 1 . . . . 124 ASN C . 18774 1 572 . 1 1 124 124 ASN CA C 13 54.911 0.021 . 1 . . . . 124 ASN CA . 18774 1 573 . 1 1 124 124 ASN CB C 13 36.918 0.076 . 1 . . . . 124 ASN CB . 18774 1 574 . 1 1 124 124 ASN N N 15 117.901 0.047 . 1 . . . . 124 ASN N . 18774 1 575 . 1 1 125 125 LYS H H 1 8.001 0.005 . 1 . . . . 125 LYS H . 18774 1 576 . 1 1 125 125 LYS C C 13 175.138 0.014 . 1 . . . . 125 LYS C . 18774 1 577 . 1 1 125 125 LYS CA C 13 54.130 0.052 . 1 . . . . 125 LYS CA . 18774 1 578 . 1 1 125 125 LYS CB C 13 33.979 0.045 . 1 . . . . 125 LYS CB . 18774 1 579 . 1 1 125 125 LYS N N 15 118.024 0.037 . 1 . . . . 125 LYS N . 18774 1 580 . 1 1 126 126 ARG H H 1 9.484 0.006 . 1 . . . . 126 ARG H . 18774 1 581 . 1 1 126 126 ARG C C 13 177.546 0.011 . 1 . . . . 126 ARG C . 18774 1 582 . 1 1 126 126 ARG CA C 13 55.030 0.068 . 1 . . . . 126 ARG CA . 18774 1 583 . 1 1 126 126 ARG CB C 13 30.704 0.071 . 1 . . . . 126 ARG CB . 18774 1 584 . 1 1 126 126 ARG N N 15 120.864 0.034 . 1 . . . . 126 ARG N . 18774 1 585 . 1 1 127 127 ILE H H 1 9.636 0.006 . 1 . . . . 127 ILE H . 18774 1 586 . 1 1 127 127 ILE C C 13 174.061 0.019 . 1 . . . . 127 ILE C . 18774 1 587 . 1 1 127 127 ILE CA C 13 59.438 0.044 . 1 . . . . 127 ILE CA . 18774 1 588 . 1 1 127 127 ILE CB C 13 39.029 0.106 . 1 . . . . 127 ILE CB . 18774 1 589 . 1 1 127 127 ILE N N 15 128.089 0.049 . 1 . . . . 127 ILE N . 18774 1 590 . 1 1 128 128 LEU H H 1 8.861 0.004 . 1 . . . . 128 LEU H . 18774 1 591 . 1 1 128 128 LEU C C 13 174.973 0.013 . 1 . . . . 128 LEU C . 18774 1 592 . 1 1 128 128 LEU CA C 13 52.306 0.013 . 1 . . . . 128 LEU CA . 18774 1 593 . 1 1 128 128 LEU CB C 13 44.251 0.050 . 1 . . . . 128 LEU CB . 18774 1 594 . 1 1 128 128 LEU N N 15 131.224 0.036 . 1 . . . . 128 LEU N . 18774 1 595 . 1 1 129 129 ILE H H 1 8.090 0.002 . 1 . . . . 129 ILE H . 18774 1 596 . 1 1 129 129 ILE C C 13 174.529 0.018 . 1 . . . . 129 ILE C . 18774 1 597 . 1 1 129 129 ILE CA C 13 61.159 0.021 . 1 . . . . 129 ILE CA . 18774 1 598 . 1 1 129 129 ILE CB C 13 38.940 0.025 . 1 . . . . 129 ILE CB . 18774 1 599 . 1 1 129 129 ILE N N 15 127.940 0.044 . 1 . . . . 129 ILE N . 18774 1 600 . 1 1 130 130 ILE H H 1 8.841 0.003 . 1 . . . . 130 ILE H . 18774 1 601 . 1 1 130 130 ILE C C 13 170.563 0.007 . 1 . . . . 130 ILE C . 18774 1 602 . 1 1 130 130 ILE CA C 13 57.759 0.043 . 1 . . . . 130 ILE CA . 18774 1 603 . 1 1 130 130 ILE CB C 13 40.792 0.055 . 1 . . . . 130 ILE CB . 18774 1 604 . 1 1 130 130 ILE N N 15 129.468 0.062 . 1 . . . . 130 ILE N . 18774 1 605 . 1 1 131 131 ASP H H 1 8.301 0.008 . 1 . . . . 131 ASP H . 18774 1 606 . 1 1 131 131 ASP C C 13 176.410 0.030 . 1 . . . . 131 ASP C . 18774 1 607 . 1 1 131 131 ASP CA C 13 52.021 0.030 . 1 . . . . 131 ASP CA . 18774 1 608 . 1 1 131 131 ASP CB C 13 44.236 0.111 . 1 . . . . 131 ASP CB . 18774 1 609 . 1 1 131 131 ASP N N 15 122.253 0.042 . 1 . . . . 131 ASP N . 18774 1 610 . 1 1 132 132 ASP H H 1 9.923 0.010 . 1 . . . . 132 ASP H . 18774 1 611 . 1 1 132 132 ASP C C 13 175.945 0.018 . 1 . . . . 132 ASP C . 18774 1 612 . 1 1 132 132 ASP CA C 13 56.179 0.081 . 1 . . . . 132 ASP CA . 18774 1 613 . 1 1 132 132 ASP CB C 13 41.411 0.088 . 1 . . . . 132 ASP CB . 18774 1 614 . 1 1 132 132 ASP N N 15 121.602 0.029 . 1 . . . . 132 ASP N . 18774 1 615 . 1 1 133 133 VAL H H 1 8.988 0.019 . 1 . . . . 133 VAL H . 18774 1 616 . 1 1 133 133 VAL C C 13 174.437 0.018 . 1 . . . . 133 VAL C . 18774 1 617 . 1 1 133 133 VAL CA C 13 60.244 0.067 . 1 . . . . 133 VAL CA . 18774 1 618 . 1 1 133 133 VAL CB C 13 35.474 0.038 . 1 . . . . 133 VAL CB . 18774 1 619 . 1 1 133 133 VAL N N 15 118.227 0.047 . 1 . . . . 133 VAL N . 18774 1 620 . 1 1 134 134 MET H H 1 8.015 0.010 . 1 . . . . 134 MET H . 18774 1 621 . 1 1 134 134 MET C C 13 175.538 0.012 . 1 . . . . 134 MET C . 18774 1 622 . 1 1 134 134 MET CA C 13 55.267 0.037 . 1 . . . . 134 MET CA . 18774 1 623 . 1 1 134 134 MET CB C 13 33.440 0.033 . 1 . . . . 134 MET CB . 18774 1 624 . 1 1 134 134 MET N N 15 121.445 0.034 . 1 . . . . 134 MET N . 18774 1 625 . 1 1 138 138 THR C C 13 176.374 0.004 . 1 . . . . 138 THR C . 18774 1 626 . 1 1 138 138 THR CA C 13 61.908 0.008 . 1 . . . . 138 THR CA . 18774 1 627 . 1 1 138 138 THR CB C 13 68.642 0.050 . 1 . . . . 138 THR CB . 18774 1 628 . 1 1 139 139 ALA H H 1 7.642 0.011 . 1 . . . . 139 ALA H . 18774 1 629 . 1 1 139 139 ALA C C 13 179.657 0.013 . 1 . . . . 139 ALA C . 18774 1 630 . 1 1 139 139 ALA CA C 13 55.338 0.027 . 1 . . . . 139 ALA CA . 18774 1 631 . 1 1 139 139 ALA CB C 13 19.230 0.085 . 1 . . . . 139 ALA CB . 18774 1 632 . 1 1 139 139 ALA N N 15 124.120 0.057 . 1 . . . . 139 ALA N . 18774 1 633 . 1 1 140 140 ILE H H 1 8.353 0.005 . 1 . . . . 140 ILE H . 18774 1 634 . 1 1 140 140 ILE C C 13 175.796 0.019 . 1 . . . . 140 ILE C . 18774 1 635 . 1 1 140 140 ILE CA C 13 60.537 0.069 . 1 . . . . 140 ILE CA . 18774 1 636 . 1 1 140 140 ILE CB C 13 38.154 0.024 . 1 . . . . 140 ILE CB . 18774 1 637 . 1 1 140 140 ILE N N 15 112.815 0.047 . 1 . . . . 140 ILE N . 18774 1 638 . 1 1 141 141 ASN H H 1 7.849 0.005 . 1 . . . . 141 ASN H . 18774 1 639 . 1 1 141 141 ASN C C 13 177.510 0.060 . 1 . . . . 141 ASN C . 18774 1 640 . 1 1 141 141 ASN CA C 13 56.473 0.056 . 1 . . . . 141 ASN CA . 18774 1 641 . 1 1 141 141 ASN CB C 13 37.106 0.092 . 1 . . . . 141 ASN CB . 18774 1 642 . 1 1 141 141 ASN N N 15 121.920 0.059 . 1 . . . . 141 ASN N . 18774 1 643 . 1 1 142 142 GLU H H 1 8.462 0.002 . 1 . . . . 142 GLU H . 18774 1 644 . 1 1 142 142 GLU C C 13 178.662 0.062 . 1 . . . . 142 GLU C . 18774 1 645 . 1 1 142 142 GLU CA C 13 59.311 0.045 . 1 . . . . 142 GLU CA . 18774 1 646 . 1 1 142 142 GLU CB C 13 28.717 0.098 . 1 . . . . 142 GLU CB . 18774 1 647 . 1 1 142 142 GLU N N 15 120.153 0.039 . 1 . . . . 142 GLU N . 18774 1 648 . 1 1 143 143 ALA H H 1 8.053 0.004 . 1 . . . . 143 ALA H . 18774 1 649 . 1 1 143 143 ALA C C 13 178.570 0.022 . 1 . . . . 143 ALA C . 18774 1 650 . 1 1 143 143 ALA CA C 13 54.878 0.065 . 1 . . . . 143 ALA CA . 18774 1 651 . 1 1 143 143 ALA CB C 13 17.248 0.018 . 1 . . . . 143 ALA CB . 18774 1 652 . 1 1 143 143 ALA N N 15 121.142 0.041 . 1 . . . . 143 ALA N . 18774 1 653 . 1 1 144 144 PHE H H 1 8.593 0.006 . 1 . . . . 144 PHE H . 18774 1 654 . 1 1 144 144 PHE C C 13 178.641 0.052 . 1 . . . . 144 PHE C . 18774 1 655 . 1 1 144 144 PHE CA C 13 62.306 0.062 . 1 . . . . 144 PHE CA . 18774 1 656 . 1 1 144 144 PHE CB C 13 38.657 0.046 . 1 . . . . 144 PHE CB . 18774 1 657 . 1 1 144 144 PHE N N 15 116.923 0.037 . 1 . . . . 144 PHE N . 18774 1 658 . 1 1 145 145 GLU H H 1 8.051 0.005 . 1 . . . . 145 GLU H . 18774 1 659 . 1 1 145 145 GLU C C 13 178.634 0.050 . 1 . . . . 145 GLU C . 18774 1 660 . 1 1 145 145 GLU CA C 13 59.364 0.051 . 1 . . . . 145 GLU CA . 18774 1 661 . 1 1 145 145 GLU CB C 13 28.728 0.057 . 1 . . . . 145 GLU CB . 18774 1 662 . 1 1 145 145 GLU N N 15 121.092 0.036 . 1 . . . . 145 GLU N . 18774 1 663 . 1 1 146 146 ILE H H 1 7.940 0.007 . 1 . . . . 146 ILE H . 18774 1 664 . 1 1 146 146 ILE C C 13 179.201 0.022 . 1 . . . . 146 ILE C . 18774 1 665 . 1 1 146 146 ILE CA C 13 64.886 0.048 . 1 . . . . 146 ILE CA . 18774 1 666 . 1 1 146 146 ILE CB C 13 37.850 0.095 . 1 . . . . 146 ILE CB . 18774 1 667 . 1 1 146 146 ILE N N 15 120.477 0.054 . 1 . . . . 146 ILE N . 18774 1 668 . 1 1 147 147 ILE H H 1 8.039 0.004 . 1 . . . . 147 ILE H . 18774 1 669 . 1 1 147 147 ILE C C 13 178.229 0.010 . 1 . . . . 147 ILE C . 18774 1 670 . 1 1 147 147 ILE CA C 13 64.722 0.089 . 1 . . . . 147 ILE CA . 18774 1 671 . 1 1 147 147 ILE CB C 13 36.644 0.073 . 1 . . . . 147 ILE CB . 18774 1 672 . 1 1 147 147 ILE N N 15 119.948 0.055 . 1 . . . . 147 ILE N . 18774 1 673 . 1 1 148 148 SER H H 1 8.264 0.007 . 1 . . . . 148 SER H . 18774 1 674 . 1 1 148 148 SER C C 13 179.549 0.009 . 1 . . . . 148 SER C . 18774 1 675 . 1 1 148 148 SER CA C 13 61.557 0.040 . 1 . . . . 148 SER CA . 18774 1 676 . 1 1 148 148 SER CB C 13 62.675 0.050 . 1 . . . . 148 SER CB . 18774 1 677 . 1 1 148 148 SER N N 15 116.166 0.067 . 1 . . . . 148 SER N . 18774 1 678 . 1 1 149 149 ASN H H 1 8.400 0.004 . 1 . . . . 149 ASN H . 18774 1 679 . 1 1 149 149 ASN C C 13 176.231 0.019 . 1 . . . . 149 ASN C . 18774 1 680 . 1 1 149 149 ASN CA C 13 55.610 0.038 . 1 . . . . 149 ASN CA . 18774 1 681 . 1 1 149 149 ASN CB C 13 37.491 0.071 . 1 . . . . 149 ASN CB . 18774 1 682 . 1 1 149 149 ASN N N 15 122.770 0.029 . 1 . . . . 149 ASN N . 18774 1 683 . 1 1 150 150 ALA H H 1 7.186 0.009 . 1 . . . . 150 ALA H . 18774 1 684 . 1 1 150 150 ALA C C 13 175.416 0.012 . 1 . . . . 150 ALA C . 18774 1 685 . 1 1 150 150 ALA CA C 13 51.474 0.058 . 1 . . . . 150 ALA CA . 18774 1 686 . 1 1 150 150 ALA CB C 13 18.428 0.033 . 1 . . . . 150 ALA CB . 18774 1 687 . 1 1 150 150 ALA N N 15 121.845 0.047 . 1 . . . . 150 ALA N . 18774 1 688 . 1 1 151 151 LYS H H 1 7.683 0.006 . 1 . . . . 151 LYS H . 18774 1 689 . 1 1 151 151 LYS C C 13 177.522 0.054 . 1 . . . . 151 LYS C . 18774 1 690 . 1 1 151 151 LYS CA C 13 57.174 0.061 . 1 . . . . 151 LYS CA . 18774 1 691 . 1 1 151 151 LYS CB C 13 27.388 0.068 . 1 . . . . 151 LYS CB . 18774 1 692 . 1 1 151 151 LYS N N 15 109.842 0.030 . 1 . . . . 151 LYS N . 18774 1 693 . 1 1 152 152 GLY H H 1 8.109 0.005 . 1 . . . . 152 GLY H . 18774 1 694 . 1 1 152 152 GLY C C 13 172.268 0.018 . 1 . . . . 152 GLY C . 18774 1 695 . 1 1 152 152 GLY CA C 13 44.488 0.022 . 1 . . . . 152 GLY CA . 18774 1 696 . 1 1 152 152 GLY N N 15 108.197 0.091 . 1 . . . . 152 GLY N . 18774 1 697 . 1 1 153 153 GLN H H 1 8.457 0.004 . 1 . . . . 153 GLN H . 18774 1 698 . 1 1 153 153 GLN C C 13 175.118 0.018 . 1 . . . . 153 GLN C . 18774 1 699 . 1 1 153 153 GLN CA C 13 53.399 0.037 . 1 . . . . 153 GLN CA . 18774 1 700 . 1 1 153 153 GLN CB C 13 29.340 0.043 . 1 . . . . 153 GLN CB . 18774 1 701 . 1 1 153 153 GLN N N 15 120.726 0.045 . 1 . . . . 153 GLN N . 18774 1 702 . 1 1 154 154 VAL H H 1 8.915 0.002 . 1 . . . . 154 VAL H . 18774 1 703 . 1 1 154 154 VAL C C 13 177.086 0.029 . 1 . . . . 154 VAL C . 18774 1 704 . 1 1 154 154 VAL CA C 13 63.499 0.055 . 1 . . . . 154 VAL CA . 18774 1 705 . 1 1 154 154 VAL CB C 13 30.568 0.028 . 1 . . . . 154 VAL CB . 18774 1 706 . 1 1 154 154 VAL N N 15 128.740 0.045 . 1 . . . . 154 VAL N . 18774 1 707 . 1 1 155 155 VAL H H 1 9.041 0.006 . 1 . . . . 155 VAL H . 18774 1 708 . 1 1 155 155 VAL C C 13 175.442 0.005 . 1 . . . . 155 VAL C . 18774 1 709 . 1 1 155 155 VAL CA C 13 60.046 0.051 . 1 . . . . 155 VAL CA . 18774 1 710 . 1 1 155 155 VAL CB C 13 31.940 0.060 . 1 . . . . 155 VAL CB . 18774 1 711 . 1 1 155 155 VAL N N 15 118.415 0.045 . 1 . . . . 155 VAL N . 18774 1 712 . 1 1 156 156 GLY H H 1 7.305 0.005 . 1 . . . . 156 GLY H . 18774 1 713 . 1 1 156 156 GLY C C 13 171.013 0.027 . 1 . . . . 156 GLY C . 18774 1 714 . 1 1 156 156 GLY CA C 13 45.524 0.017 . 1 . . . . 156 GLY CA . 18774 1 715 . 1 1 156 156 GLY N N 15 104.689 0.044 . 1 . . . . 156 GLY N . 18774 1 716 . 1 1 157 157 SER H H 1 7.976 0.007 . 1 . . . . 157 SER H . 18774 1 717 . 1 1 157 157 SER C C 13 171.583 0.011 . 1 . . . . 157 SER C . 18774 1 718 . 1 1 157 157 SER CA C 13 55.999 0.062 . 1 . . . . 157 SER CA . 18774 1 719 . 1 1 157 157 SER CB C 13 66.373 0.099 . 1 . . . . 157 SER CB . 18774 1 720 . 1 1 157 157 SER N N 15 114.786 0.053 . 1 . . . . 157 SER N . 18774 1 721 . 1 1 158 158 ILE H H 1 9.002 0.006 . 1 . . . . 158 ILE H . 18774 1 722 . 1 1 158 158 ILE C C 13 171.941 0.019 . 1 . . . . 158 ILE C . 18774 1 723 . 1 1 158 158 ILE CA C 13 58.030 0.043 . 1 . . . . 158 ILE CA . 18774 1 724 . 1 1 158 158 ILE CB C 13 40.152 0.054 . 1 . . . . 158 ILE CB . 18774 1 725 . 1 1 158 158 ILE N N 15 123.407 0.028 . 1 . . . . 158 ILE N . 18774 1 726 . 1 1 159 159 ILE H H 1 8.143 0.009 . 1 . . . . 159 ILE H . 18774 1 727 . 1 1 159 159 ILE C C 13 175.099 0.034 . 1 . . . . 159 ILE C . 18774 1 728 . 1 1 159 159 ILE CA C 13 57.441 0.024 . 1 . . . . 159 ILE CA . 18774 1 729 . 1 1 159 159 ILE CB C 13 39.770 0.120 . 1 . . . . 159 ILE CB . 18774 1 730 . 1 1 159 159 ILE N N 15 118.780 0.038 . 1 . . . . 159 ILE N . 18774 1 731 . 1 1 160 160 ALA H H 1 8.391 0.009 . 1 . . . . 160 ALA H . 18774 1 732 . 1 1 160 160 ALA C C 13 175.709 0.025 . 1 . . . . 160 ALA C . 18774 1 733 . 1 1 160 160 ALA CA C 13 54.417 0.050 . 1 . . . . 160 ALA CA . 18774 1 734 . 1 1 160 160 ALA CB C 13 18.633 0.099 . 1 . . . . 160 ALA CB . 18774 1 735 . 1 1 160 160 ALA N N 15 121.954 0.050 . 1 . . . . 160 ALA N . 18774 1 736 . 1 1 161 161 LEU H H 1 6.537 0.008 . 1 . . . . 161 LEU H . 18774 1 737 . 1 1 161 161 LEU C C 13 174.480 0.013 . 1 . . . . 161 LEU C . 18774 1 738 . 1 1 161 161 LEU CA C 13 52.108 0.041 . 1 . . . . 161 LEU CA . 18774 1 739 . 1 1 161 161 LEU CB C 13 44.639 0.052 . 1 . . . . 161 LEU CB . 18774 1 740 . 1 1 161 161 LEU N N 15 113.439 0.080 . 1 . . . . 161 LEU N . 18774 1 741 . 1 1 162 162 ASP H H 1 8.430 0.003 . 1 . . . . 162 ASP H . 18774 1 742 . 1 1 162 162 ASP C C 13 176.259 0.008 . 1 . . . . 162 ASP C . 18774 1 743 . 1 1 162 162 ASP CA C 13 51.943 0.030 . 1 . . . . 162 ASP CA . 18774 1 744 . 1 1 162 162 ASP CB C 13 40.196 0.180 . 1 . . . . 162 ASP CB . 18774 1 745 . 1 1 162 162 ASP N N 15 124.131 0.057 . 1 . . . . 162 ASP N . 18774 1 746 . 1 1 163 163 ARG H H 1 8.476 0.005 . 1 . . . . 163 ARG H . 18774 1 747 . 1 1 163 163 ARG C C 13 177.860 0.041 . 1 . . . . 163 ARG C . 18774 1 748 . 1 1 163 163 ARG CA C 13 58.831 0.043 . 1 . . . . 163 ARG CA . 18774 1 749 . 1 1 163 163 ARG CB C 13 30.307 0.057 . 1 . . . . 163 ARG CB . 18774 1 750 . 1 1 163 163 ARG N N 15 124.397 0.045 . 1 . . . . 163 ARG N . 18774 1 751 . 1 1 164 164 GLN H H 1 8.911 0.006 . 1 . . . . 164 GLN H . 18774 1 752 . 1 1 164 164 GLN C C 13 174.259 0.026 . 1 . . . . 164 GLN C . 18774 1 753 . 1 1 164 164 GLN CA C 13 57.330 0.043 . 1 . . . . 164 GLN CA . 18774 1 754 . 1 1 164 164 GLN CB C 13 28.376 0.016 . 1 . . . . 164 GLN CB . 18774 1 755 . 1 1 164 164 GLN N N 15 111.382 0.030 . 1 . . . . 164 GLN N . 18774 1 756 . 1 1 165 165 GLU H H 1 7.027 0.011 . 1 . . . . 165 GLU H . 18774 1 757 . 1 1 165 165 GLU C C 13 177.331 0.010 . 1 . . . . 165 GLU C . 18774 1 758 . 1 1 165 165 GLU CA C 13 53.522 0.031 . 1 . . . . 165 GLU CA . 18774 1 759 . 1 1 165 165 GLU CB C 13 31.918 0.057 . 1 . . . . 165 GLU CB . 18774 1 760 . 1 1 165 165 GLU N N 15 113.868 0.031 . 1 . . . . 165 GLU N . 18774 1 761 . 1 1 166 166 VAL H H 1 8.899 0.003 . 1 . . . . 166 VAL H . 18774 1 762 . 1 1 166 166 VAL C C 13 177.341 0.021 . 1 . . . . 166 VAL C . 18774 1 763 . 1 1 166 166 VAL CA C 13 62.729 0.048 . 1 . . . . 166 VAL CA . 18774 1 764 . 1 1 166 166 VAL CB C 13 31.218 0.126 . 1 . . . . 166 VAL CB . 18774 1 765 . 1 1 166 166 VAL N N 15 121.561 0.036 . 1 . . . . 166 VAL N . 18774 1 766 . 1 1 167 167 VAL H H 1 8.457 0.005 . 1 . . . . 167 VAL H . 18774 1 767 . 1 1 167 167 VAL C C 13 176.784 0.031 . 1 . . . . 167 VAL C . 18774 1 768 . 1 1 167 167 VAL CA C 13 63.469 0.026 . 1 . . . . 167 VAL CA . 18774 1 769 . 1 1 167 167 VAL CB C 13 31.426 0.082 . 1 . . . . 167 VAL CB . 18774 1 770 . 1 1 167 167 VAL N N 15 123.482 0.042 . 1 . . . . 167 VAL N . 18774 1 771 . 1 1 168 168 SER H H 1 8.177 0.004 . 1 . . . . 168 SER H . 18774 1 772 . 1 1 168 168 SER C C 13 175.160 0.025 . 1 . . . . 168 SER C . 18774 1 773 . 1 1 168 168 SER CA C 13 56.822 0.064 . 1 . . . . 168 SER CA . 18774 1 774 . 1 1 168 168 SER CB C 13 64.202 0.085 . 1 . . . . 168 SER CB . 18774 1 775 . 1 1 168 168 SER N N 15 115.400 0.048 . 1 . . . . 168 SER N . 18774 1 776 . 1 1 169 169 THR C C 13 174.699 0.005 . 1 . . . . 169 THR C . 18774 1 777 . 1 1 169 169 THR CA C 13 62.491 0.052 . 1 . . . . 169 THR CA . 18774 1 778 . 1 1 169 169 THR CB C 13 68.540 0.081 . 1 . . . . 169 THR CB . 18774 1 779 . 1 1 170 170 ASP H H 1 8.170 0.005 . 1 . . . . 170 ASP H . 18774 1 780 . 1 1 170 170 ASP C C 13 175.843 0.021 . 1 . . . . 170 ASP C . 18774 1 781 . 1 1 170 170 ASP CA C 13 54.241 0.059 . 1 . . . . 170 ASP CA . 18774 1 782 . 1 1 170 170 ASP CB C 13 40.707 0.057 . 1 . . . . 170 ASP CB . 18774 1 783 . 1 1 170 170 ASP N N 15 120.805 0.052 . 1 . . . . 170 ASP N . 18774 1 784 . 1 1 171 171 ASP H H 1 7.542 0.011 . 1 . . . . 171 ASP H . 18774 1 785 . 1 1 171 171 ASP C C 13 177.032 0.016 . 1 . . . . 171 ASP C . 18774 1 786 . 1 1 171 171 ASP CA C 13 53.932 0.061 . 1 . . . . 171 ASP CA . 18774 1 787 . 1 1 171 171 ASP CB C 13 41.146 0.071 . 1 . . . . 171 ASP CB . 18774 1 788 . 1 1 171 171 ASP N N 15 119.728 0.033 . 1 . . . . 171 ASP N . 18774 1 789 . 1 1 172 172 LYS H H 1 8.591 0.005 . 1 . . . . 172 LYS H . 18774 1 790 . 1 1 172 172 LYS C C 13 177.487 0.022 . 1 . . . . 172 LYS C . 18774 1 791 . 1 1 172 172 LYS CA C 13 57.359 0.039 . 1 . . . . 172 LYS CA . 18774 1 792 . 1 1 172 172 LYS CB C 13 31.273 0.054 . 1 . . . . 172 LYS CB . 18774 1 793 . 1 1 172 172 LYS N N 15 123.709 0.036 . 1 . . . . 172 LYS N . 18774 1 794 . 1 1 173 173 GLU H H 1 8.302 0.003 . 1 . . . . 173 GLU H . 18774 1 795 . 1 1 173 173 GLU C C 13 177.507 0.019 . 1 . . . . 173 GLU C . 18774 1 796 . 1 1 173 173 GLU CA C 13 56.774 0.055 . 1 . . . . 173 GLU CA . 18774 1 797 . 1 1 173 173 GLU CB C 13 29.476 0.054 . 1 . . . . 173 GLU CB . 18774 1 798 . 1 1 173 173 GLU N N 15 119.183 0.029 . 1 . . . . 173 GLU N . 18774 1 799 . 1 1 174 174 GLY H H 1 7.972 0.008 . 1 . . . . 174 GLY H . 18774 1 800 . 1 1 174 174 GLY C C 13 174.125 0.017 . 1 . . . . 174 GLY C . 18774 1 801 . 1 1 174 174 GLY CA C 13 46.534 0.021 . 1 . . . . 174 GLY CA . 18774 1 802 . 1 1 174 174 GLY N N 15 107.972 0.036 . 1 . . . . 174 GLY N . 18774 1 803 . 1 1 175 175 LEU H H 1 7.989 0.002 . 1 . . . . 175 LEU H . 18774 1 804 . 1 1 175 175 LEU C C 13 178.552 0.021 . 1 . . . . 175 LEU C . 18774 1 805 . 1 1 175 175 LEU CA C 13 54.090 0.038 . 1 . . . . 175 LEU CA . 18774 1 806 . 1 1 175 175 LEU CB C 13 42.790 0.055 . 1 . . . . 175 LEU CB . 18774 1 807 . 1 1 175 175 LEU N N 15 119.280 0.055 . 1 . . . . 175 LEU N . 18774 1 808 . 1 1 176 176 SER H H 1 8.856 0.006 . 1 . . . . 176 SER H . 18774 1 809 . 1 1 176 176 SER C C 13 176.529 0.011 . 1 . . . . 176 SER C . 18774 1 810 . 1 1 176 176 SER CA C 13 56.240 0.053 . 1 . . . . 176 SER CA . 18774 1 811 . 1 1 176 176 SER CB C 13 64.578 0.093 . 1 . . . . 176 SER CB . 18774 1 812 . 1 1 176 176 SER N N 15 116.845 0.039 . 1 . . . . 176 SER N . 18774 1 813 . 1 1 177 177 ALA C C 13 179.438 0.004 . 1 . . . . 177 ALA C . 18774 1 814 . 1 1 177 177 ALA CA C 13 56.511 0.031 . 1 . . . . 177 ALA CA . 18774 1 815 . 1 1 177 177 ALA CB C 13 17.372 0.050 . 1 . . . . 177 ALA CB . 18774 1 816 . 1 1 178 178 THR H H 1 8.801 0.007 . 1 . . . . 178 THR H . 18774 1 817 . 1 1 178 178 THR C C 13 177.807 0.036 . 1 . . . . 178 THR C . 18774 1 818 . 1 1 178 178 THR CA C 13 64.941 0.076 . 1 . . . . 178 THR CA . 18774 1 819 . 1 1 178 178 THR CB C 13 67.397 0.049 . 1 . . . . 178 THR CB . 18774 1 820 . 1 1 178 178 THR N N 15 110.120 0.055 . 1 . . . . 178 THR N . 18774 1 821 . 1 1 179 179 GLN H H 1 7.653 0.008 . 1 . . . . 179 GLN H . 18774 1 822 . 1 1 179 179 GLN C C 13 179.288 0.020 . 1 . . . . 179 GLN C . 18774 1 823 . 1 1 179 179 GLN CA C 13 58.166 0.079 . 1 . . . . 179 GLN CA . 18774 1 824 . 1 1 179 179 GLN CB C 13 28.517 0.015 . 1 . . . . 179 GLN CB . 18774 1 825 . 1 1 179 179 GLN N N 15 121.736 0.035 . 1 . . . . 179 GLN N . 18774 1 826 . 1 1 180 180 THR H H 1 8.301 0.009 . 1 . . . . 180 THR H . 18774 1 827 . 1 1 180 180 THR C C 13 176.432 0.016 . 1 . . . . 180 THR C . 18774 1 828 . 1 1 180 180 THR CA C 13 67.212 0.019 . 1 . . . . 180 THR CA . 18774 1 829 . 1 1 180 180 THR CB C 13 68.405 0.016 . 1 . . . . 180 THR CB . 18774 1 830 . 1 1 180 180 THR N N 15 117.416 0.027 . 1 . . . . 180 THR N . 18774 1 831 . 1 1 181 181 VAL H H 1 7.834 0.007 . 1 . . . . 181 VAL H . 18774 1 832 . 1 1 181 181 VAL C C 13 177.555 0.009 . 1 . . . . 181 VAL C . 18774 1 833 . 1 1 181 181 VAL CA C 13 66.924 0.066 . 1 . . . . 181 VAL CA . 18774 1 834 . 1 1 181 181 VAL CB C 13 31.231 0.069 . 1 . . . . 181 VAL CB . 18774 1 835 . 1 1 181 181 VAL N N 15 123.565 0.082 . 1 . . . . 181 VAL N . 18774 1 836 . 1 1 182 182 SER H H 1 8.252 0.006 . 1 . . . . 182 SER H . 18774 1 837 . 1 1 182 182 SER C C 13 178.087 0.008 . 1 . . . . 182 SER C . 18774 1 838 . 1 1 182 182 SER CA C 13 61.284 0.055 . 1 . . . . 182 SER CA . 18774 1 839 . 1 1 182 182 SER CB C 13 63.693 0.094 . 1 . . . . 182 SER CB . 18774 1 840 . 1 1 182 182 SER N N 15 114.596 0.065 . 1 . . . . 182 SER N . 18774 1 841 . 1 1 183 183 LYS H H 1 8.098 0.008 . 1 . . . . 183 LYS H . 18774 1 842 . 1 1 183 183 LYS C C 13 178.539 0.019 . 1 . . . . 183 LYS C . 18774 1 843 . 1 1 183 183 LYS CA C 13 58.521 0.071 . 1 . . . . 183 LYS CA . 18774 1 844 . 1 1 183 183 LYS CB C 13 31.868 0.093 . 1 . . . . 183 LYS CB . 18774 1 845 . 1 1 183 183 LYS N N 15 119.755 0.059 . 1 . . . . 183 LYS N . 18774 1 846 . 1 1 184 184 LYS H H 1 8.042 0.009 . 1 . . . . 184 LYS H . 18774 1 847 . 1 1 184 184 LYS C C 13 178.324 0.015 . 1 . . . . 184 LYS C . 18774 1 848 . 1 1 184 184 LYS CA C 13 58.739 0.066 . 1 . . . . 184 LYS CA . 18774 1 849 . 1 1 184 184 LYS CB C 13 31.900 0.089 . 1 . . . . 184 LYS CB . 18774 1 850 . 1 1 184 184 LYS N N 15 119.490 0.072 . 1 . . . . 184 LYS N . 18774 1 851 . 1 1 185 185 TYR H H 1 7.779 0.008 . 1 . . . . 185 TYR H . 18774 1 852 . 1 1 185 185 TYR C C 13 176.291 0.033 . 1 . . . . 185 TYR C . 18774 1 853 . 1 1 185 185 TYR CA C 13 57.822 0.038 . 1 . . . . 185 TYR CA . 18774 1 854 . 1 1 185 185 TYR CB C 13 39.178 0.048 . 1 . . . . 185 TYR CB . 18774 1 855 . 1 1 185 185 TYR N N 15 112.645 0.043 . 1 . . . . 185 TYR N . 18774 1 856 . 1 1 186 186 GLY H H 1 7.994 0.004 . 1 . . . . 186 GLY H . 18774 1 857 . 1 1 186 186 GLY C C 13 174.902 0.021 . 1 . . . . 186 GLY C . 18774 1 858 . 1 1 186 186 GLY CA C 13 47.021 0.013 . 1 . . . . 186 GLY CA . 18774 1 859 . 1 1 186 186 GLY N N 15 111.629 0.046 . 1 . . . . 186 GLY N . 18774 1 860 . 1 1 187 187 ILE H H 1 7.022 0.006 . 1 . . . . 187 ILE H . 18774 1 861 . 1 1 187 187 ILE C C 13 172.763 0.002 . 1 . . . . 187 ILE C . 18774 1 862 . 1 1 187 187 ILE CA C 13 56.580 0.060 . 1 . . . . 187 ILE CA . 18774 1 863 . 1 1 187 187 ILE CB C 13 39.528 0.027 . 1 . . . . 187 ILE CB . 18774 1 864 . 1 1 187 187 ILE N N 15 109.660 0.030 . 1 . . . . 187 ILE N . 18774 1 865 . 1 1 188 188 PRO C C 13 176.039 0.008 . 1 . . . . 188 PRO C . 18774 1 866 . 1 1 188 188 PRO CA C 13 62.087 0.027 . 1 . . . . 188 PRO CA . 18774 1 867 . 1 1 188 188 PRO CB C 13 31.550 0.067 . 1 . . . . 188 PRO CB . 18774 1 868 . 1 1 189 189 VAL H H 1 8.076 0.001 . 1 . . . . 189 VAL H . 18774 1 869 . 1 1 189 189 VAL C C 13 175.773 0.021 . 1 . . . . 189 VAL C . 18774 1 870 . 1 1 189 189 VAL CA C 13 60.986 0.055 . 1 . . . . 189 VAL CA . 18774 1 871 . 1 1 189 189 VAL CB C 13 31.759 0.027 . 1 . . . . 189 VAL CB . 18774 1 872 . 1 1 189 189 VAL N N 15 120.839 0.035 . 1 . . . . 189 VAL N . 18774 1 873 . 1 1 190 190 LEU H H 1 9.159 0.002 . 1 . . . . 190 LEU H . 18774 1 874 . 1 1 190 190 LEU C C 13 175.437 0.047 . 1 . . . . 190 LEU C . 18774 1 875 . 1 1 190 190 LEU CA C 13 53.234 0.044 . 1 . . . . 190 LEU CA . 18774 1 876 . 1 1 190 190 LEU CB C 13 42.950 0.042 . 1 . . . . 190 LEU CB . 18774 1 877 . 1 1 190 190 LEU N N 15 129.436 0.026 . 1 . . . . 190 LEU N . 18774 1 878 . 1 1 191 191 SER H H 1 8.167 0.003 . 1 . . . . 191 SER H . 18774 1 879 . 1 1 191 191 SER C C 13 174.885 0.017 . 1 . . . . 191 SER C . 18774 1 880 . 1 1 191 191 SER CA C 13 55.189 0.107 . 1 . . . . 191 SER CA . 18774 1 881 . 1 1 191 191 SER CB C 13 65.024 0.078 . 1 . . . . 191 SER CB . 18774 1 882 . 1 1 191 191 SER N N 15 111.128 0.037 . 1 . . . . 191 SER N . 18774 1 883 . 1 1 192 192 ILE H H 1 7.573 0.008 . 1 . . . . 192 ILE H . 18774 1 884 . 1 1 192 192 ILE C C 13 176.149 0.021 . 1 . . . . 192 ILE C . 18774 1 885 . 1 1 192 192 ILE CA C 13 66.256 0.028 . 1 . . . . 192 ILE CA . 18774 1 886 . 1 1 192 192 ILE CB C 13 36.105 0.051 . 1 . . . . 192 ILE CB . 18774 1 887 . 1 1 192 192 ILE N N 15 121.892 0.039 . 1 . . . . 192 ILE N . 18774 1 888 . 1 1 193 193 VAL H H 1 7.487 0.009 . 1 . . . . 193 VAL H . 18774 1 889 . 1 1 193 193 VAL C C 13 174.459 0.012 . 1 . . . . 193 VAL C . 18774 1 890 . 1 1 193 193 VAL CA C 13 58.904 0.055 . 1 . . . . 193 VAL CA . 18774 1 891 . 1 1 193 193 VAL CB C 13 37.041 0.054 . 1 . . . . 193 VAL CB . 18774 1 892 . 1 1 193 193 VAL N N 15 106.080 0.040 . 1 . . . . 193 VAL N . 18774 1 893 . 1 1 194 194 SER H H 1 10.368 0.004 . 1 . . . . 194 SER H . 18774 1 894 . 1 1 194 194 SER C C 13 175.775 0.078 . 1 . . . . 194 SER C . 18774 1 895 . 1 1 194 194 SER CA C 13 56.341 0.057 . 1 . . . . 194 SER CA . 18774 1 896 . 1 1 194 194 SER CB C 13 65.853 0.171 . 1 . . . . 194 SER CB . 18774 1 897 . 1 1 194 194 SER N N 15 118.650 0.057 . 1 . . . . 194 SER N . 18774 1 898 . 1 1 195 195 LEU H H 1 7.425 0.010 . 1 . . . . 195 LEU H . 18774 1 899 . 1 1 195 195 LEU C C 13 179.065 0.009 . 1 . . . . 195 LEU C . 18774 1 900 . 1 1 195 195 LEU CA C 13 58.507 0.048 . 1 . . . . 195 LEU CA . 18774 1 901 . 1 1 195 195 LEU CB C 13 40.214 0.091 . 1 . . . . 195 LEU CB . 18774 1 902 . 1 1 195 195 LEU N N 15 124.454 0.080 . 1 . . . . 195 LEU N . 18774 1 903 . 1 1 196 196 ILE H H 1 8.488 0.004 . 1 . . . . 196 ILE H . 18774 1 904 . 1 1 196 196 ILE C C 13 178.183 0.014 . 1 . . . . 196 ILE C . 18774 1 905 . 1 1 196 196 ILE CA C 13 62.421 0.166 . 1 . . . . 196 ILE CA . 18774 1 906 . 1 1 196 196 ILE CB C 13 36.616 0.065 . 1 . . . . 196 ILE CB . 18774 1 907 . 1 1 196 196 ILE N N 15 115.597 0.027 . 1 . . . . 196 ILE N . 18774 1 908 . 1 1 197 197 HIS H H 1 7.484 0.009 . 1 . . . . 197 HIS H . 18774 1 909 . 1 1 197 197 HIS C C 13 177.462 0.010 . 1 . . . . 197 HIS C . 18774 1 910 . 1 1 197 197 HIS CA C 13 61.727 0.044 . 1 . . . . 197 HIS CA . 18774 1 911 . 1 1 197 197 HIS CB C 13 30.363 0.059 . 1 . . . . 197 HIS CB . 18774 1 912 . 1 1 197 197 HIS N N 15 123.217 0.045 . 1 . . . . 197 HIS N . 18774 1 913 . 1 1 198 198 ILE H H 1 7.440 0.008 . 1 . . . . 198 ILE H . 18774 1 914 . 1 1 198 198 ILE C C 13 177.084 0.015 . 1 . . . . 198 ILE C . 18774 1 915 . 1 1 198 198 ILE CA C 13 66.014 0.057 . 1 . . . . 198 ILE CA . 18774 1 916 . 1 1 198 198 ILE CB C 13 36.464 0.136 . 1 . . . . 198 ILE CB . 18774 1 917 . 1 1 198 198 ILE N N 15 118.999 0.030 . 1 . . . . 198 ILE N . 18774 1 918 . 1 1 199 199 ILE H H 1 7.827 0.006 . 1 . . . . 199 ILE H . 18774 1 919 . 1 1 199 199 ILE C C 13 177.280 0.039 . 1 . . . . 199 ILE C . 18774 1 920 . 1 1 199 199 ILE CA C 13 65.493 0.052 . 1 . . . . 199 ILE CA . 18774 1 921 . 1 1 199 199 ILE CB C 13 37.821 0.099 . 1 . . . . 199 ILE CB . 18774 1 922 . 1 1 199 199 ILE N N 15 116.755 0.074 . 1 . . . . 199 ILE N . 18774 1 923 . 1 1 200 200 THR H H 1 7.541 0.007 . 1 . . . . 200 THR H . 18774 1 924 . 1 1 200 200 THR C C 13 176.544 0.008 . 1 . . . . 200 THR C . 18774 1 925 . 1 1 200 200 THR CA C 13 66.412 0.060 . 1 . . . . 200 THR CA . 18774 1 926 . 1 1 200 200 THR CB C 13 68.719 0.094 . 1 . . . . 200 THR CB . 18774 1 927 . 1 1 200 200 THR N N 15 114.822 0.097 . 1 . . . . 200 THR N . 18774 1 928 . 1 1 201 201 TYR H H 1 8.329 0.004 . 1 . . . . 201 TYR H . 18774 1 929 . 1 1 201 201 TYR C C 13 176.417 0.009 . 1 . . . . 201 TYR C . 18774 1 930 . 1 1 201 201 TYR CA C 13 60.600 0.042 . 1 . . . . 201 TYR CA . 18774 1 931 . 1 1 201 201 TYR CB C 13 39.109 0.048 . 1 . . . . 201 TYR CB . 18774 1 932 . 1 1 201 201 TYR N N 15 122.303 0.031 . 1 . . . . 201 TYR N . 18774 1 933 . 1 1 202 202 LEU H H 1 7.691 0.007 . 1 . . . . 202 LEU H . 18774 1 934 . 1 1 202 202 LEU C C 13 177.006 0.027 . 1 . . . . 202 LEU C . 18774 1 935 . 1 1 202 202 LEU CA C 13 54.753 0.060 . 1 . . . . 202 LEU CA . 18774 1 936 . 1 1 202 202 LEU CB C 13 40.484 0.066 . 1 . . . . 202 LEU CB . 18774 1 937 . 1 1 202 202 LEU N N 15 114.206 0.042 . 1 . . . . 202 LEU N . 18774 1 938 . 1 1 203 203 GLU H H 1 7.060 0.009 . 1 . . . . 203 GLU H . 18774 1 939 . 1 1 203 203 GLU C C 13 177.338 0.040 . 1 . . . . 203 GLU C . 18774 1 940 . 1 1 203 203 GLU CA C 13 58.410 0.091 . 1 . . . . 203 GLU CA . 18774 1 941 . 1 1 203 203 GLU CB C 13 28.203 0.042 . 1 . . . . 203 GLU CB . 18774 1 942 . 1 1 203 203 GLU N N 15 121.346 0.040 . 1 . . . . 203 GLU N . 18774 1 943 . 1 1 204 204 GLY H H 1 8.945 0.006 . 1 . . . . 204 GLY H . 18774 1 944 . 1 1 204 204 GLY C C 13 174.852 0.032 . 1 . . . . 204 GLY C . 18774 1 945 . 1 1 204 204 GLY CA C 13 45.267 0.064 . 1 . . . . 204 GLY CA . 18774 1 946 . 1 1 204 204 GLY N N 15 114.213 0.074 . 1 . . . . 204 GLY N . 18774 1 947 . 1 1 205 205 ARG H H 1 8.244 0.004 . 1 . . . . 205 ARG H . 18774 1 948 . 1 1 205 205 ARG C C 13 176.177 0.005 . 1 . . . . 205 ARG C . 18774 1 949 . 1 1 205 205 ARG CA C 13 56.123 0.054 . 1 . . . . 205 ARG CA . 18774 1 950 . 1 1 205 205 ARG CB C 13 30.872 0.066 . 1 . . . . 205 ARG CB . 18774 1 951 . 1 1 205 205 ARG N N 15 119.467 0.042 . 1 . . . . 205 ARG N . 18774 1 952 . 1 1 206 206 ILE H H 1 7.114 0.008 . 1 . . . . 206 ILE H . 18774 1 953 . 1 1 206 206 ILE C C 13 176.257 0.018 . 1 . . . . 206 ILE C . 18774 1 954 . 1 1 206 206 ILE CA C 13 59.582 0.066 . 1 . . . . 206 ILE CA . 18774 1 955 . 1 1 206 206 ILE CB C 13 39.125 0.065 . 1 . . . . 206 ILE CB . 18774 1 956 . 1 1 206 206 ILE N N 15 113.653 0.043 . 1 . . . . 206 ILE N . 18774 1 957 . 1 1 207 207 THR H H 1 8.603 0.004 . 1 . . . . 207 THR H . 18774 1 958 . 1 1 207 207 THR C C 13 175.261 0.007 . 1 . . . . 207 THR C . 18774 1 959 . 1 1 207 207 THR CA C 13 61.420 0.050 . 1 . . . . 207 THR CA . 18774 1 960 . 1 1 207 207 THR CB C 13 70.529 0.048 . 1 . . . . 207 THR CB . 18774 1 961 . 1 1 207 207 THR N N 15 114.346 0.046 . 1 . . . . 207 THR N . 18774 1 962 . 1 1 208 208 ALA H H 1 8.811 0.002 . 1 . . . . 208 ALA H . 18774 1 963 . 1 1 208 208 ALA C C 13 180.961 0.015 . 1 . . . . 208 ALA C . 18774 1 964 . 1 1 208 208 ALA CA C 13 54.977 0.046 . 1 . . . . 208 ALA CA . 18774 1 965 . 1 1 208 208 ALA CB C 13 17.323 0.025 . 1 . . . . 208 ALA CB . 18774 1 966 . 1 1 208 208 ALA N N 15 123.704 0.028 . 1 . . . . 208 ALA N . 18774 1 967 . 1 1 209 209 GLU H H 1 8.652 0.003 . 1 . . . . 209 GLU H . 18774 1 968 . 1 1 209 209 GLU C C 13 179.372 0.022 . 1 . . . . 209 GLU C . 18774 1 969 . 1 1 209 209 GLU CA C 13 59.507 0.038 . 1 . . . . 209 GLU CA . 18774 1 970 . 1 1 209 209 GLU CB C 13 28.392 0.098 . 1 . . . . 209 GLU CB . 18774 1 971 . 1 1 209 209 GLU N N 15 118.816 0.040 . 1 . . . . 209 GLU N . 18774 1 972 . 1 1 210 210 GLU H H 1 7.756 0.004 . 1 . . . . 210 GLU H . 18774 1 973 . 1 1 210 210 GLU C C 13 179.466 0.020 . 1 . . . . 210 GLU C . 18774 1 974 . 1 1 210 210 GLU CA C 13 58.992 0.072 . 1 . . . . 210 GLU CA . 18774 1 975 . 1 1 210 210 GLU CB C 13 28.914 0.085 . 1 . . . . 210 GLU CB . 18774 1 976 . 1 1 210 210 GLU N N 15 121.137 0.032 . 1 . . . . 210 GLU N . 18774 1 977 . 1 1 211 211 LYS H H 1 8.505 0.002 . 1 . . . . 211 LYS H . 18774 1 978 . 1 1 211 211 LYS C C 13 178.783 0.015 . 1 . . . . 211 LYS C . 18774 1 979 . 1 1 211 211 LYS CA C 13 59.867 0.048 . 1 . . . . 211 LYS CA . 18774 1 980 . 1 1 211 211 LYS CB C 13 31.296 0.089 . 1 . . . . 211 LYS CB . 18774 1 981 . 1 1 211 211 LYS N N 15 120.952 0.042 . 1 . . . . 211 LYS N . 18774 1 982 . 1 1 212 212 SER H H 1 8.314 0.004 . 1 . . . . 212 SER H . 18774 1 983 . 1 1 212 212 SER C C 13 177.161 0.013 . 1 . . . . 212 SER C . 18774 1 984 . 1 1 212 212 SER CA C 13 61.245 0.048 . 1 . . . . 212 SER CA . 18774 1 985 . 1 1 212 212 SER CB C 13 62.545 0.115 . 1 . . . . 212 SER CB . 18774 1 986 . 1 1 212 212 SER N N 15 114.707 0.045 . 1 . . . . 212 SER N . 18774 1 987 . 1 1 213 213 LYS H H 1 7.743 0.006 . 1 . . . . 213 LYS H . 18774 1 988 . 1 1 213 213 LYS C C 13 180.568 0.032 . 1 . . . . 213 LYS C . 18774 1 989 . 1 1 213 213 LYS CA C 13 59.306 0.035 . 1 . . . . 213 LYS CA . 18774 1 990 . 1 1 213 213 LYS CB C 13 31.788 0.052 . 1 . . . . 213 LYS CB . 18774 1 991 . 1 1 213 213 LYS N N 15 120.692 0.055 . 1 . . . . 213 LYS N . 18774 1 992 . 1 1 214 214 ILE H H 1 7.831 0.011 . 1 . . . . 214 ILE H . 18774 1 993 . 1 1 214 214 ILE C C 13 177.476 0.022 . 1 . . . . 214 ILE C . 18774 1 994 . 1 1 214 214 ILE CA C 13 65.251 0.051 . 1 . . . . 214 ILE CA . 18774 1 995 . 1 1 214 214 ILE CB C 13 37.221 0.056 . 1 . . . . 214 ILE CB . 18774 1 996 . 1 1 214 214 ILE N N 15 120.777 0.074 . 1 . . . . 214 ILE N . 18774 1 997 . 1 1 215 215 GLU H H 1 8.406 0.008 . 1 . . . . 215 GLU H . 18774 1 998 . 1 1 215 215 GLU C C 13 179.758 0.033 . 1 . . . . 215 GLU C . 18774 1 999 . 1 1 215 215 GLU CA C 13 59.962 0.080 . 1 . . . . 215 GLU CA . 18774 1 1000 . 1 1 215 215 GLU CB C 13 28.895 0.034 . 1 . . . . 215 GLU CB . 18774 1 1001 . 1 1 215 215 GLU N N 15 120.869 0.042 . 1 . . . . 215 GLU N . 18774 1 1002 . 1 1 216 216 GLN H H 1 8.615 0.002 . 1 . . . . 216 GLN H . 18774 1 1003 . 1 1 216 216 GLN C C 13 178.486 0.007 . 1 . . . . 216 GLN C . 18774 1 1004 . 1 1 216 216 GLN CA C 13 58.399 0.025 . 1 . . . . 216 GLN CA . 18774 1 1005 . 1 1 216 216 GLN CB C 13 27.818 0.084 . 1 . . . . 216 GLN CB . 18774 1 1006 . 1 1 216 216 GLN N N 15 118.991 0.042 . 1 . . . . 216 GLN N . 18774 1 1007 . 1 1 217 217 TYR H H 1 7.851 0.010 . 1 . . . . 217 TYR H . 18774 1 1008 . 1 1 217 217 TYR C C 13 178.062 0.036 . 1 . . . . 217 TYR C . 18774 1 1009 . 1 1 217 217 TYR CA C 13 62.125 0.061 . 1 . . . . 217 TYR CA . 18774 1 1010 . 1 1 217 217 TYR CB C 13 38.684 0.080 . 1 . . . . 217 TYR CB . 18774 1 1011 . 1 1 217 217 TYR N N 15 123.393 0.040 . 1 . . . . 217 TYR N . 18774 1 1012 . 1 1 218 218 LEU H H 1 8.301 0.011 . 1 . . . . 218 LEU H . 18774 1 1013 . 1 1 218 218 LEU C C 13 179.906 0.018 . 1 . . . . 218 LEU C . 18774 1 1014 . 1 1 218 218 LEU CA C 13 57.339 0.040 . 1 . . . . 218 LEU CA . 18774 1 1015 . 1 1 218 218 LEU CB C 13 40.546 0.082 . 1 . . . . 218 LEU CB . 18774 1 1016 . 1 1 218 218 LEU N N 15 120.148 0.065 . 1 . . . . 218 LEU N . 18774 1 1017 . 1 1 219 219 GLN H H 1 8.229 0.005 . 1 . . . . 219 GLN H . 18774 1 1018 . 1 1 219 219 GLN C C 13 177.677 0.038 . 1 . . . . 219 GLN C . 18774 1 1019 . 1 1 219 219 GLN CA C 13 58.422 0.031 . 1 . . . . 219 GLN CA . 18774 1 1020 . 1 1 219 219 GLN CB C 13 27.621 0.046 . 1 . . . . 219 GLN CB . 18774 1 1021 . 1 1 219 219 GLN N N 15 119.434 0.063 . 1 . . . . 219 GLN N . 18774 1 1022 . 1 1 220 220 THR H H 1 7.736 0.003 . 1 . . . . 220 THR H . 18774 1 1023 . 1 1 220 220 THR C C 13 175.478 0.013 . 1 . . . . 220 THR C . 18774 1 1024 . 1 1 220 220 THR CA C 13 65.305 0.141 . 1 . . . . 220 THR CA . 18774 1 1025 . 1 1 220 220 THR CB C 13 69.320 0.032 . 1 . . . . 220 THR CB . 18774 1 1026 . 1 1 220 220 THR N N 15 114.735 0.049 . 1 . . . . 220 THR N . 18774 1 1027 . 1 1 221 221 TYR H H 1 8.246 0.007 . 1 . . . . 221 TYR H . 18774 1 1028 . 1 1 221 221 TYR C C 13 175.733 0.044 . 1 . . . . 221 TYR C . 18774 1 1029 . 1 1 221 221 TYR CA C 13 57.803 0.068 . 1 . . . . 221 TYR CA . 18774 1 1030 . 1 1 221 221 TYR CB C 13 38.831 0.058 . 1 . . . . 221 TYR CB . 18774 1 1031 . 1 1 221 221 TYR N N 15 116.514 0.042 . 1 . . . . 221 TYR N . 18774 1 1032 . 1 1 222 222 GLY H H 1 8.059 0.005 . 1 . . . . 222 GLY H . 18774 1 1033 . 1 1 222 222 GLY C C 13 173.800 0.014 . 1 . . . . 222 GLY C . 18774 1 1034 . 1 1 222 222 GLY CA C 13 45.617 0.023 . 1 . . . . 222 GLY CA . 18774 1 1035 . 1 1 222 222 GLY N N 15 109.669 0.035 . 1 . . . . 222 GLY N . 18774 1 1036 . 1 1 223 223 ALA H H 1 8.133 0.004 . 1 . . . . 223 ALA H . 18774 1 1037 . 1 1 223 223 ALA C C 13 177.371 0.016 . 1 . . . . 223 ALA C . 18774 1 1038 . 1 1 223 223 ALA CA C 13 51.024 0.047 . 1 . . . . 223 ALA CA . 18774 1 1039 . 1 1 223 223 ALA CB C 13 19.463 0.043 . 1 . . . . 223 ALA CB . 18774 1 1040 . 1 1 223 223 ALA N N 15 125.837 0.025 . 1 . . . . 223 ALA N . 18774 1 1041 . 1 1 224 224 SER H H 1 8.671 0.005 . 1 . . . . 224 SER H . 18774 1 1042 . 1 1 224 224 SER C C 13 175.013 0.010 . 1 . . . . 224 SER C . 18774 1 1043 . 1 1 224 224 SER CA C 13 58.508 0.058 . 1 . . . . 224 SER CA . 18774 1 1044 . 1 1 224 224 SER CB C 13 63.483 0.070 . 1 . . . . 224 SER CB . 18774 1 1045 . 1 1 224 224 SER N N 15 117.444 0.060 . 1 . . . . 224 SER N . 18774 1 1046 . 1 1 225 225 ALA H H 1 8.442 0.004 . 1 . . . . 225 ALA H . 18774 1 1047 . 1 1 225 225 ALA C C 13 177.973 0.019 . 1 . . . . 225 ALA C . 18774 1 1048 . 1 1 225 225 ALA CA C 13 52.502 0.039 . 1 . . . . 225 ALA CA . 18774 1 1049 . 1 1 225 225 ALA CB C 13 18.565 0.031 . 1 . . . . 225 ALA CB . 18774 1 1050 . 1 1 225 225 ALA N N 15 126.341 0.058 . 1 . . . . 225 ALA N . 18774 1 1051 . 1 1 226 226 GLU H H 1 8.229 0.005 . 1 . . . . 226 GLU H . 18774 1 1052 . 1 1 226 226 GLU C C 13 176.348 0.019 . 1 . . . . 226 GLU C . 18774 1 1053 . 1 1 226 226 GLU CA C 13 56.526 0.071 . 1 . . . . 226 GLU CA . 18774 1 1054 . 1 1 226 226 GLU CB C 13 29.307 0.046 . 1 . . . . 226 GLU CB . 18774 1 1055 . 1 1 226 226 GLU N N 15 118.866 0.073 . 1 . . . . 226 GLU N . 18774 1 1056 . 1 1 227 227 ASN H H 1 8.193 0.002 . 1 . . . . 227 ASN H . 18774 1 1057 . 1 1 227 227 ASN C C 13 175.020 0.012 . 1 . . . . 227 ASN C . 18774 1 1058 . 1 1 227 227 ASN CA C 13 53.158 0.042 . 1 . . . . 227 ASN CA . 18774 1 1059 . 1 1 227 227 ASN CB C 13 38.117 0.058 . 1 . . . . 227 ASN CB . 18774 1 1060 . 1 1 227 227 ASN N N 15 118.717 0.057 . 1 . . . . 227 ASN N . 18774 1 1061 . 1 1 228 228 LEU H H 1 7.953 0.004 . 1 . . . . 228 LEU H . 18774 1 1062 . 1 1 228 228 LEU C C 13 176.698 0.016 . 1 . . . . 228 LEU C . 18774 1 1063 . 1 1 228 228 LEU CA C 13 54.920 0.053 . 1 . . . . 228 LEU CA . 18774 1 1064 . 1 1 228 228 LEU CB C 13 41.306 0.055 . 1 . . . . 228 LEU CB . 18774 1 1065 . 1 1 228 228 LEU N N 15 122.084 0.027 . 1 . . . . 228 LEU N . 18774 1 1066 . 1 1 229 229 TYR H H 1 7.829 0.003 . 1 . . . . 229 TYR H . 18774 1 1067 . 1 1 229 229 TYR C C 13 175.250 0.012 . 1 . . . . 229 TYR C . 18774 1 1068 . 1 1 229 229 TYR CA C 13 57.562 0.033 . 1 . . . . 229 TYR CA . 18774 1 1069 . 1 1 229 229 TYR CB C 13 38.143 0.059 . 1 . . . . 229 TYR CB . 18774 1 1070 . 1 1 229 229 TYR N N 15 119.343 0.038 . 1 . . . . 229 TYR N . 18774 1 1071 . 1 1 230 230 PHE H H 1 7.880 0.001 . 1 . . . . 230 PHE H . 18774 1 1072 . 1 1 230 230 PHE C C 13 174.582 0.013 . 1 . . . . 230 PHE C . 18774 1 1073 . 1 1 230 230 PHE CA C 13 57.276 0.048 . 1 . . . . 230 PHE CA . 18774 1 1074 . 1 1 230 230 PHE CB C 13 38.915 0.061 . 1 . . . . 230 PHE CB . 18774 1 1075 . 1 1 230 230 PHE N N 15 120.972 0.022 . 1 . . . . 230 PHE N . 18774 1 1076 . 1 1 231 231 GLN H H 1 7.678 0.002 . 1 . . . . 231 GLN H . 18774 1 1077 . 1 1 231 231 GLN C C 13 180.401 0.013 . 1 . . . . 231 GLN C . 18774 1 1078 . 1 1 231 231 GLN CA C 13 57.129 0.039 . 1 . . . . 231 GLN CA . 18774 1 1079 . 1 1 231 231 GLN CB C 13 29.793 0.044 . 1 . . . . 231 GLN CB . 18774 1 1080 . 1 1 231 231 GLN N N 15 126.183 0.020 . 1 . . . . 231 GLN N . 18774 1 stop_ save_