data_18775 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18775 _Entry.Title ; Backbone 1H-13C-15N NMR assignments of yeast OMP synthase in complex with orotidine 5 -monophosphate ; _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 . . . 18775 2 Michael Hansen . R. . 18775 3 Eric Barr . W. . 18775 4 Hong Cheng . . . 18775 5 Charles Grubmeyer . T. . 18775 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18775 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 657 18775 '15N chemical shifts' 213 18775 '1H chemical shifts' 213 18775 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 . 18775 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18774 'yeast OMP synthase (apo form)' 18775 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18775 _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 . . . 18775 1 2 Richard Harris . . . 18775 1 3 Eric Barr . W. . 18775 1 4 Hong Cheng . . . 18775 1 5 Mark Girvin . E. . 18775 1 6 Charles Grubmeyer . . . 18775 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'OMP synthase' 18775 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18775 _Assembly.ID 1 _Assembly.Name 'omp synthase' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _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 . . . 18775 1 2 'omp synthase, 2' 1 $oprtase B . yes native no no . . . 18775 1 3 'OMP, 1' 2 $entity_OMP A . no native no no . . . 18775 1 4 'OMP, 2' 2 $entity_OMP B . no native no no . . . 18775 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_oprtase _Entity.Sf_category entity _Entity.Sf_framecode oprtase _Entity.Entry_ID 18775 _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 2.4.2.10 _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 18774 . oprtase . . . . . 100.00 231 100.00 100.00 1.16e-163 . . . . 18775 1 2 no PDB 2PRY . "Apo Form Of S. Cerevisiae Orotate Phosphoribosyltransferase" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18775 1 3 no PDB 2PRZ . "S. Cerevisiae Orotate Phosphoribosyltransferase Complexed With Omp" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18775 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 . . . . 18775 1 5 no DBJ GAA25343 . "K7_Ura5p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18775 1 6 no EMBL CAA32901 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 97.40 226 99.56 100.00 6.15e-158 . . . . 18775 1 7 no EMBL CAA46665 . "URA5 [Saccharomyces cerevisiae]" . . . . . 92.64 214 100.00 100.00 4.53e-149 . . . . 18775 1 8 no EMBL CAA89112 . "Ura5p [Saccharomyces cerevisiae]" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18775 1 9 no EMBL CAY81712 . "Ura5p [Saccharomyces cerevisiae EC1118]" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18775 1 10 no GB AAT93179 . "YML106W [Saccharomyces cerevisiae]" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18775 1 11 no GB AHY76362 . "Ura5p [Saccharomyces cerevisiae YJM993]" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18775 1 12 no GB AJP40607 . "Ura5p [Saccharomyces cerevisiae YJM1078]" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18775 1 13 no GB AJS61787 . "Ura5p [Saccharomyces cerevisiae YJM189]" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18775 1 14 no GB AJS62213 . "Ura5p [Saccharomyces cerevisiae YJM193]" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18775 1 15 no REF NP_013601 . "orotate phosphoribosyltransferase URA5 [Saccharomyces cerevisiae S288c]" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18775 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 . . . . 18775 1 17 no TPG DAA09792 . "TPA: orotate phosphoribosyltransferase URA5 [Saccharomyces cerevisiae S288c]" . . . . . 97.40 226 100.00 100.00 8.67e-159 . . . . 18775 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'orotate phosphoribosyltransferase' 18775 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 . 18775 1 2 . ILE . 18775 1 3 . MET . 18775 1 4 . LEU . 18775 1 5 . GLU . 18775 1 6 . ASP . 18775 1 7 . TYR . 18775 1 8 . GLN . 18775 1 9 . LYS . 18775 1 10 . ASN . 18775 1 11 . PHE . 18775 1 12 . LEU . 18775 1 13 . GLU . 18775 1 14 . LEU . 18775 1 15 . ALA . 18775 1 16 . ILE . 18775 1 17 . GLU . 18775 1 18 . CYS . 18775 1 19 . GLN . 18775 1 20 . ALA . 18775 1 21 . LEU . 18775 1 22 . ARG . 18775 1 23 . PHE . 18775 1 24 . GLY . 18775 1 25 . SER . 18775 1 26 . PHE . 18775 1 27 . LYS . 18775 1 28 . LEU . 18775 1 29 . LYS . 18775 1 30 . SER . 18775 1 31 . GLY . 18775 1 32 . ARG . 18775 1 33 . GLU . 18775 1 34 . SER . 18775 1 35 . PRO . 18775 1 36 . TYR . 18775 1 37 . PHE . 18775 1 38 . PHE . 18775 1 39 . ASN . 18775 1 40 . LEU . 18775 1 41 . GLY . 18775 1 42 . LEU . 18775 1 43 . PHE . 18775 1 44 . ASN . 18775 1 45 . THR . 18775 1 46 . GLY . 18775 1 47 . LYS . 18775 1 48 . LEU . 18775 1 49 . LEU . 18775 1 50 . SER . 18775 1 51 . ASN . 18775 1 52 . LEU . 18775 1 53 . ALA . 18775 1 54 . THR . 18775 1 55 . ALA . 18775 1 56 . TYR . 18775 1 57 . ALA . 18775 1 58 . ILE . 18775 1 59 . ALA . 18775 1 60 . ILE . 18775 1 61 . ILE . 18775 1 62 . GLN . 18775 1 63 . SER . 18775 1 64 . ASP . 18775 1 65 . LEU . 18775 1 66 . LYS . 18775 1 67 . PHE . 18775 1 68 . ASP . 18775 1 69 . VAL . 18775 1 70 . ILE . 18775 1 71 . PHE . 18775 1 72 . GLY . 18775 1 73 . PRO . 18775 1 74 . ALA . 18775 1 75 . TYR . 18775 1 76 . LYS . 18775 1 77 . GLY . 18775 1 78 . ILE . 18775 1 79 . PRO . 18775 1 80 . LEU . 18775 1 81 . ALA . 18775 1 82 . ALA . 18775 1 83 . ILE . 18775 1 84 . VAL . 18775 1 85 . CYS . 18775 1 86 . VAL . 18775 1 87 . LYS . 18775 1 88 . LEU . 18775 1 89 . ALA . 18775 1 90 . GLU . 18775 1 91 . ILE . 18775 1 92 . GLY . 18775 1 93 . GLY . 18775 1 94 . SER . 18775 1 95 . LYS . 18775 1 96 . PHE . 18775 1 97 . GLN . 18775 1 98 . ASN . 18775 1 99 . ILE . 18775 1 100 . GLN . 18775 1 101 . TYR . 18775 1 102 . ALA . 18775 1 103 . PHE . 18775 1 104 . ASN . 18775 1 105 . ARG . 18775 1 106 . LYS . 18775 1 107 . GLU . 18775 1 108 . ALA . 18775 1 109 . LYS . 18775 1 110 . ASP . 18775 1 111 . HIS . 18775 1 112 . GLY . 18775 1 113 . GLU . 18775 1 114 . GLY . 18775 1 115 . GLY . 18775 1 116 . ILE . 18775 1 117 . ILE . 18775 1 118 . VAL . 18775 1 119 . GLY . 18775 1 120 . SER . 18775 1 121 . ALA . 18775 1 122 . LEU . 18775 1 123 . GLU . 18775 1 124 . ASN . 18775 1 125 . LYS . 18775 1 126 . ARG . 18775 1 127 . ILE . 18775 1 128 . LEU . 18775 1 129 . ILE . 18775 1 130 . ILE . 18775 1 131 . ASP . 18775 1 132 . ASP . 18775 1 133 . VAL . 18775 1 134 . MET . 18775 1 135 . THR . 18775 1 136 . ALA . 18775 1 137 . GLY . 18775 1 138 . THR . 18775 1 139 . ALA . 18775 1 140 . ILE . 18775 1 141 . ASN . 18775 1 142 . GLU . 18775 1 143 . ALA . 18775 1 144 . PHE . 18775 1 145 . GLU . 18775 1 146 . ILE . 18775 1 147 . ILE . 18775 1 148 . SER . 18775 1 149 . ASN . 18775 1 150 . ALA . 18775 1 151 . LYS . 18775 1 152 . GLY . 18775 1 153 . GLN . 18775 1 154 . VAL . 18775 1 155 . VAL . 18775 1 156 . GLY . 18775 1 157 . SER . 18775 1 158 . ILE . 18775 1 159 . ILE . 18775 1 160 . ALA . 18775 1 161 . LEU . 18775 1 162 . ASP . 18775 1 163 . ARG . 18775 1 164 . GLN . 18775 1 165 . GLU . 18775 1 166 . VAL . 18775 1 167 . VAL . 18775 1 168 . SER . 18775 1 169 . THR . 18775 1 170 . ASP . 18775 1 171 . ASP . 18775 1 172 . LYS . 18775 1 173 . GLU . 18775 1 174 . GLY . 18775 1 175 . LEU . 18775 1 176 . SER . 18775 1 177 . ALA . 18775 1 178 . THR . 18775 1 179 . GLN . 18775 1 180 . THR . 18775 1 181 . VAL . 18775 1 182 . SER . 18775 1 183 . LYS . 18775 1 184 . LYS . 18775 1 185 . TYR . 18775 1 186 . GLY . 18775 1 187 . ILE . 18775 1 188 . PRO . 18775 1 189 . VAL . 18775 1 190 . LEU . 18775 1 191 . SER . 18775 1 192 . ILE . 18775 1 193 . VAL . 18775 1 194 . SER . 18775 1 195 . LEU . 18775 1 196 . ILE . 18775 1 197 . HIS . 18775 1 198 . ILE . 18775 1 199 . ILE . 18775 1 200 . THR . 18775 1 201 . TYR . 18775 1 202 . LEU . 18775 1 203 . GLU . 18775 1 204 . GLY . 18775 1 205 . ARG . 18775 1 206 . ILE . 18775 1 207 . THR . 18775 1 208 . ALA . 18775 1 209 . GLU . 18775 1 210 . GLU . 18775 1 211 . LYS . 18775 1 212 . SER . 18775 1 213 . LYS . 18775 1 214 . ILE . 18775 1 215 . GLU . 18775 1 216 . GLN . 18775 1 217 . TYR . 18775 1 218 . LEU . 18775 1 219 . GLN . 18775 1 220 . THR . 18775 1 221 . TYR . 18775 1 222 . GLY . 18775 1 223 . ALA . 18775 1 224 . SER . 18775 1 225 . ALA . 18775 1 226 . GLU . 18775 1 227 . ASN . 18775 1 228 . LEU . 18775 1 229 . TYR . 18775 1 230 . PHE . 18775 1 231 . GLN . 18775 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 18775 1 . ILE 2 2 18775 1 . MET 3 3 18775 1 . LEU 4 4 18775 1 . GLU 5 5 18775 1 . ASP 6 6 18775 1 . TYR 7 7 18775 1 . GLN 8 8 18775 1 . LYS 9 9 18775 1 . ASN 10 10 18775 1 . PHE 11 11 18775 1 . LEU 12 12 18775 1 . GLU 13 13 18775 1 . LEU 14 14 18775 1 . ALA 15 15 18775 1 . ILE 16 16 18775 1 . GLU 17 17 18775 1 . CYS 18 18 18775 1 . GLN 19 19 18775 1 . ALA 20 20 18775 1 . LEU 21 21 18775 1 . ARG 22 22 18775 1 . PHE 23 23 18775 1 . GLY 24 24 18775 1 . SER 25 25 18775 1 . PHE 26 26 18775 1 . LYS 27 27 18775 1 . LEU 28 28 18775 1 . LYS 29 29 18775 1 . SER 30 30 18775 1 . GLY 31 31 18775 1 . ARG 32 32 18775 1 . GLU 33 33 18775 1 . SER 34 34 18775 1 . PRO 35 35 18775 1 . TYR 36 36 18775 1 . PHE 37 37 18775 1 . PHE 38 38 18775 1 . ASN 39 39 18775 1 . LEU 40 40 18775 1 . GLY 41 41 18775 1 . LEU 42 42 18775 1 . PHE 43 43 18775 1 . ASN 44 44 18775 1 . THR 45 45 18775 1 . GLY 46 46 18775 1 . LYS 47 47 18775 1 . LEU 48 48 18775 1 . LEU 49 49 18775 1 . SER 50 50 18775 1 . ASN 51 51 18775 1 . LEU 52 52 18775 1 . ALA 53 53 18775 1 . THR 54 54 18775 1 . ALA 55 55 18775 1 . TYR 56 56 18775 1 . ALA 57 57 18775 1 . ILE 58 58 18775 1 . ALA 59 59 18775 1 . ILE 60 60 18775 1 . ILE 61 61 18775 1 . GLN 62 62 18775 1 . SER 63 63 18775 1 . ASP 64 64 18775 1 . LEU 65 65 18775 1 . LYS 66 66 18775 1 . PHE 67 67 18775 1 . ASP 68 68 18775 1 . VAL 69 69 18775 1 . ILE 70 70 18775 1 . PHE 71 71 18775 1 . GLY 72 72 18775 1 . PRO 73 73 18775 1 . ALA 74 74 18775 1 . TYR 75 75 18775 1 . LYS 76 76 18775 1 . GLY 77 77 18775 1 . ILE 78 78 18775 1 . PRO 79 79 18775 1 . LEU 80 80 18775 1 . ALA 81 81 18775 1 . ALA 82 82 18775 1 . ILE 83 83 18775 1 . VAL 84 84 18775 1 . CYS 85 85 18775 1 . VAL 86 86 18775 1 . LYS 87 87 18775 1 . LEU 88 88 18775 1 . ALA 89 89 18775 1 . GLU 90 90 18775 1 . ILE 91 91 18775 1 . GLY 92 92 18775 1 . GLY 93 93 18775 1 . SER 94 94 18775 1 . LYS 95 95 18775 1 . PHE 96 96 18775 1 . GLN 97 97 18775 1 . ASN 98 98 18775 1 . ILE 99 99 18775 1 . GLN 100 100 18775 1 . TYR 101 101 18775 1 . ALA 102 102 18775 1 . PHE 103 103 18775 1 . ASN 104 104 18775 1 . ARG 105 105 18775 1 . LYS 106 106 18775 1 . GLU 107 107 18775 1 . ALA 108 108 18775 1 . LYS 109 109 18775 1 . ASP 110 110 18775 1 . HIS 111 111 18775 1 . GLY 112 112 18775 1 . GLU 113 113 18775 1 . GLY 114 114 18775 1 . GLY 115 115 18775 1 . ILE 116 116 18775 1 . ILE 117 117 18775 1 . VAL 118 118 18775 1 . GLY 119 119 18775 1 . SER 120 120 18775 1 . ALA 121 121 18775 1 . LEU 122 122 18775 1 . GLU 123 123 18775 1 . ASN 124 124 18775 1 . LYS 125 125 18775 1 . ARG 126 126 18775 1 . ILE 127 127 18775 1 . LEU 128 128 18775 1 . ILE 129 129 18775 1 . ILE 130 130 18775 1 . ASP 131 131 18775 1 . ASP 132 132 18775 1 . VAL 133 133 18775 1 . MET 134 134 18775 1 . THR 135 135 18775 1 . ALA 136 136 18775 1 . GLY 137 137 18775 1 . THR 138 138 18775 1 . ALA 139 139 18775 1 . ILE 140 140 18775 1 . ASN 141 141 18775 1 . GLU 142 142 18775 1 . ALA 143 143 18775 1 . PHE 144 144 18775 1 . GLU 145 145 18775 1 . ILE 146 146 18775 1 . ILE 147 147 18775 1 . SER 148 148 18775 1 . ASN 149 149 18775 1 . ALA 150 150 18775 1 . LYS 151 151 18775 1 . GLY 152 152 18775 1 . GLN 153 153 18775 1 . VAL 154 154 18775 1 . VAL 155 155 18775 1 . GLY 156 156 18775 1 . SER 157 157 18775 1 . ILE 158 158 18775 1 . ILE 159 159 18775 1 . ALA 160 160 18775 1 . LEU 161 161 18775 1 . ASP 162 162 18775 1 . ARG 163 163 18775 1 . GLN 164 164 18775 1 . GLU 165 165 18775 1 . VAL 166 166 18775 1 . VAL 167 167 18775 1 . SER 168 168 18775 1 . THR 169 169 18775 1 . ASP 170 170 18775 1 . ASP 171 171 18775 1 . LYS 172 172 18775 1 . GLU 173 173 18775 1 . GLY 174 174 18775 1 . LEU 175 175 18775 1 . SER 176 176 18775 1 . ALA 177 177 18775 1 . THR 178 178 18775 1 . GLN 179 179 18775 1 . THR 180 180 18775 1 . VAL 181 181 18775 1 . SER 182 182 18775 1 . LYS 183 183 18775 1 . LYS 184 184 18775 1 . TYR 185 185 18775 1 . GLY 186 186 18775 1 . ILE 187 187 18775 1 . PRO 188 188 18775 1 . VAL 189 189 18775 1 . LEU 190 190 18775 1 . SER 191 191 18775 1 . ILE 192 192 18775 1 . VAL 193 193 18775 1 . SER 194 194 18775 1 . LEU 195 195 18775 1 . ILE 196 196 18775 1 . HIS 197 197 18775 1 . ILE 198 198 18775 1 . ILE 199 199 18775 1 . THR 200 200 18775 1 . TYR 201 201 18775 1 . LEU 202 202 18775 1 . GLU 203 203 18775 1 . GLY 204 204 18775 1 . ARG 205 205 18775 1 . ILE 206 206 18775 1 . THR 207 207 18775 1 . ALA 208 208 18775 1 . GLU 209 209 18775 1 . GLU 210 210 18775 1 . LYS 211 211 18775 1 . SER 212 212 18775 1 . LYS 213 213 18775 1 . ILE 214 214 18775 1 . GLU 215 215 18775 1 . GLN 216 216 18775 1 . TYR 217 217 18775 1 . LEU 218 218 18775 1 . GLN 219 219 18775 1 . THR 220 220 18775 1 . TYR 221 221 18775 1 . GLY 222 222 18775 1 . ALA 223 223 18775 1 . SER 224 224 18775 1 . ALA 225 225 18775 1 . GLU 226 226 18775 1 . ASN 227 227 18775 1 . LEU 228 228 18775 1 . TYR 229 229 18775 1 . PHE 230 230 18775 1 . GLN 231 231 18775 1 stop_ save_ save_entity_OMP _Entity.Sf_category entity _Entity.Sf_framecode entity_OMP _Entity.Entry_ID 18775 _Entity.ID 2 _Entity.BMRB_code OMP _Entity.Name entity_OMP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID OMP _Entity.Nonpolymer_comp_label $chem_comp_OMP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 368.191 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID OROTIDINE-5'-MONOPHOSPHATE BMRB 18775 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID OROTIDINE-5'-MONOPHOSPHATE BMRB 18775 2 OMP 'Three letter code' 18775 2 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 1 OMP $chem_comp_OMP 18775 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 OMP C1' 18775 2 2 1 OMP C2 18775 2 3 1 OMP C2' 18775 2 4 1 OMP C3' 18775 2 5 1 OMP C4 18775 2 6 1 OMP C4' 18775 2 7 1 OMP C5 18775 2 8 1 OMP C5' 18775 2 9 1 OMP C6 18775 2 10 1 OMP C7 18775 2 11 1 OMP H1' 18775 2 12 1 OMP H2' 18775 2 13 1 OMP H3' 18775 2 14 1 OMP H4' 18775 2 15 1 OMP H5 18775 2 16 1 OMP H5'1 18775 2 17 1 OMP H5'2 18775 2 18 1 OMP HN3 18775 2 19 1 OMP HO2' 18775 2 20 1 OMP HO3' 18775 2 21 1 OMP HO7 18775 2 22 1 OMP HOP2 18775 2 23 1 OMP HOP3 18775 2 24 1 OMP N1 18775 2 25 1 OMP N3 18775 2 26 1 OMP O1P 18775 2 27 1 OMP O2 18775 2 28 1 OMP O2' 18775 2 29 1 OMP O2P 18775 2 30 1 OMP O3' 18775 2 31 1 OMP O3P 18775 2 32 1 OMP O4 18775 2 33 1 OMP O4' 18775 2 34 1 OMP O5' 18775 2 35 1 OMP O71 18775 2 36 1 OMP O72 18775 2 37 1 OMP P 18775 2 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 18775 _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 . . . . . . . . . . . . . . . . . . . . . 18775 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 18775 _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 . . . . . . . . . . . . . . . . 'pRSET B' . . . . . . 18775 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_OMP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_OMP _Chem_comp.Entry_ID 18775 _Chem_comp.ID OMP _Chem_comp.Provenance PDB _Chem_comp.Name OROTIDINE-5'-MONOPHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code OMP _Chem_comp.PDB_code OMP _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code OMP _Chem_comp.Number_atoms_all 37 _Chem_comp.Number_atoms_nh 24 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H13 N2 O11 P' _Chem_comp.Formula_weight 368.191 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1STO _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)O SMILES 'OpenEye OEToolkits' 1.7.5 18775 OMP C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.5 18775 OMP InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1 InChI InChI 1.03 18775 OMP KYOBSHFOBAOFBF-XVFCMESISA-N InChIKey InChI 1.03 18775 OMP O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2C(O)=O SMILES_CANONICAL CACTVS 3.385 18775 OMP O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2C(O)=O SMILES CACTVS 3.385 18775 OMP O=C(O)C=1N(C(=O)NC(=O)C=1)C2OC(C(O)C2O)COP(=O)(O)O SMILES ACDLabs 10.04 18775 OMP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]-2,6-dioxo-pyrimidine-4-carboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18775 OMP '6-carboxyuridine 5'-(dihydrogen phosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 18775 OMP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID P P P P . P . . N 0 . . . 1 no no . . . . 39.208 . 34.690 . 35.291 . -4.583 -0.715 0.387 1 . 18775 OMP O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 40.481 . 34.850 . 34.502 . -5.590 0.207 -0.183 2 . 18775 OMP O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 38.049 . 34.464 . 34.393 . -5.089 -1.244 1.821 3 . 18775 OMP O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 39.276 . 33.473 . 36.349 . -4.380 -1.967 -0.605 4 . 18775 OMP O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 38.837 . 36.023 . 36.112 . -3.184 0.061 0.565 5 . 18775 OMP C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 39.768 . 36.678 . 36.979 . -2.527 0.738 -0.509 6 . 18775 OMP C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 39.085 . 37.930 . 37.476 . -1.229 1.365 0.002 7 . 18775 OMP O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 39.997 . 38.678 . 38.280 . -0.302 0.332 0.377 8 . 18775 OMP C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 38.535 . 38.921 . 36.476 . -0.567 2.188 -1.121 9 . 18775 OMP O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 37.404 . 39.627 . 36.990 . -0.442 3.557 -0.731 10 . 18775 OMP C2' C2' C2' C2* . C . . R 0 . . . 1 no no . . . . 39.701 . 39.873 . 36.295 . 0.830 1.543 -1.291 11 . 18775 OMP O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . 39.337 . 41.169 . 35.814 . 1.833 2.543 -1.481 12 . 18775 OMP C1' C1' C1' C1* . C . . R 0 . . . 1 no no . . . . 40.311 . 39.898 . 37.681 . 1.021 0.820 0.067 13 . 18775 OMP N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 41.714 . 40.267 . 37.858 . 1.962 -0.295 -0.071 14 . 18775 OMP C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 42.673 . 39.497 . 37.213 . 1.649 -1.328 -0.871 15 . 18775 OMP O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 42.354 . 38.547 . 36.531 . 0.589 -1.315 -1.465 16 . 18775 OMP N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 43.982 . 39.882 . 37.395 . 2.478 -2.374 -1.031 17 . 18775 OMP C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 44.433 . 40.964 . 38.164 . 3.661 -2.415 -0.384 18 . 18775 OMP O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . 45.632 . 41.160 . 38.215 . 4.412 -3.361 -0.527 19 . 18775 OMP C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . 43.390 . 41.722 . 38.813 . 4.025 -1.299 0.497 20 . 18775 OMP C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 42.097 . 41.388 . 38.665 . 3.155 -0.262 0.619 21 . 18775 OMP C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 41.205 . 42.042 . 39.637 . 3.483 0.890 1.492 22 . 18775 OMP O71 O71 O71 O71 . O . . N 0 . . . 1 no no . . . . 41.410 . 43.235 . 39.947 . 4.003 1.880 1.021 23 . 18775 OMP O72 O72 O72 O72 . O . . N 0 . . . 1 no no . . . . 40.250 . 41.418 . 40.170 . 3.204 0.839 2.809 24 . 18775 OMP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 37.253 . 34.416 . 34.909 . -5.929 -1.722 1.789 25 . 18775 OMP HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 39.289 . 32.646 . 35.881 . -3.732 -2.614 -0.295 26 . 18775 OMP H1' H1' H1' H1* . H . . N 0 . . . 1 no no . . . . 39.858 . 40.769 . 38.178 . 1.362 1.519 0.830 27 . 18775 OMP H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . 40.398 . 39.542 . 35.511 . 0.832 0.830 -2.115 28 . 18775 OMP H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 38.184 . 38.442 . 35.550 . -1.140 2.103 -2.044 29 . 18775 OMP H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 38.209 . 37.508 . 37.991 . -1.438 2.005 0.859 30 . 18775 OMP HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . 39.256 . 41.768 . 36.547 . 1.705 3.083 -2.273 31 . 18775 OMP HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . 37.524 . 39.784 . 37.919 . -0.032 4.121 -1.401 32 . 18775 OMP H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 40.033 . 36.024 . 37.823 . -2.300 0.026 -1.302 33 . 18775 OMP H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 40.701 . 36.920 . 36.448 . -3.180 1.520 -0.899 34 . 18775 OMP HN3 HN3 HN3 HN3 . H . . N 0 . . . 1 no no . . . . 44.681 . 39.336 . 36.933 . 2.223 -3.105 -1.617 35 . 18775 OMP H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . 43.653 . 42.571 . 39.427 . 4.964 -1.299 1.031 36 . 18775 OMP HO7 HO7 HO7 HO7 . H . . N 0 . . . 1 no no . . . . 39.794 . 41.992 . 40.774 . 3.436 1.614 3.338 37 . 18775 OMP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB P O1P no N 1 . 18775 OMP 2 . SING P O2P no N 2 . 18775 OMP 3 . SING P O3P no N 3 . 18775 OMP 4 . SING P O5' no N 4 . 18775 OMP 5 . SING O2P HOP2 no N 5 . 18775 OMP 6 . SING O3P HOP3 no N 6 . 18775 OMP 7 . SING O5' C5' no N 7 . 18775 OMP 8 . SING C5' C4' no N 8 . 18775 OMP 9 . SING C5' H5'1 no N 9 . 18775 OMP 10 . SING C5' H5'2 no N 10 . 18775 OMP 11 . SING C4' O4' no N 11 . 18775 OMP 12 . SING C4' C3' no N 12 . 18775 OMP 13 . SING C4' H4' no N 13 . 18775 OMP 14 . SING O4' C1' no N 14 . 18775 OMP 15 . SING C3' C2' no N 15 . 18775 OMP 16 . SING C3' O3' no N 16 . 18775 OMP 17 . SING C3' H3' no N 17 . 18775 OMP 18 . SING O3' HO3' no N 18 . 18775 OMP 19 . SING C2' C1' no N 19 . 18775 OMP 20 . SING C2' O2' no N 20 . 18775 OMP 21 . SING C2' H2' no N 21 . 18775 OMP 22 . SING O2' HO2' no N 22 . 18775 OMP 23 . SING C1' N1 no N 23 . 18775 OMP 24 . SING C1' H1' no N 24 . 18775 OMP 25 . SING N1 C2 no N 25 . 18775 OMP 26 . SING N1 C6 no N 26 . 18775 OMP 27 . SING C2 N3 no N 27 . 18775 OMP 28 . DOUB C2 O2 no N 28 . 18775 OMP 29 . SING N3 C4 no N 29 . 18775 OMP 30 . SING N3 HN3 no N 30 . 18775 OMP 31 . SING C4 C5 no N 31 . 18775 OMP 32 . DOUB C4 O4 no N 32 . 18775 OMP 33 . DOUB C5 C6 no N 33 . 18775 OMP 34 . SING C5 H5 no N 34 . 18775 OMP 35 . SING C6 C7 no N 35 . 18775 OMP 36 . DOUB C7 O71 no N 36 . 18775 OMP 37 . SING C7 O72 no N 37 . 18775 OMP 38 . SING O72 HO7 no N 38 . 18775 OMP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18775 _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 . . . . 18775 1 2 PIPES 'natural abundance' . . . . . . 80 . . mM . . . . 18775 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18775 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18775 1 5 'orotidine 5 -monophosphate' 'natural abundance' . . 2 $entity_OMP . . 5 . . mM . . . . 18775 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 18775 _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 18775 1 pH 6.8 . pH 18775 1 pressure 1 . atm 18775 1 temperature 298 . K 18775 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18775 _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 . . 18775 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18775 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18775 _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' . . 18775 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18775 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18775 _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' . . 18775 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18775 3 stop_ save_ save_MDDNMR _Software.Sf_category software _Software.Sf_framecode MDDNMR _Software.Entry_ID 18775 _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' . . 18775 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18775 4 processing 18775 4 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 18775 _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 . . 18775 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18775 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 18775 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 18775 _NMR_spectrometer.ID 2 _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 18775 _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 Varian INOVA . 600 . . . 18775 1 2 spectrometer_2 Bruker Avance . 900 . . . 18775 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 18775 _Experiment_list.ID 1 _Experiment_list.Details 'All 3Ds were collected with NUS (30% sampling), TROSY and 2H decoupling' 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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18775 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18775 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18775 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18775 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18775 1 6 '3D HN(CA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18775 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18775 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18775 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18775 1 10 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18775 1 11 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18775 1 12 '3D HN(CA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18775 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 18775 _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 . . . . . . . . . 18775 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18775 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18775 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 18775 _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' . . . 18775 1 2 '3D HNCO' . . . 18775 1 3 '3D HNCA' . . . 18775 1 4 '3D HN(CO)CA' . . . 18775 1 5 '3D HN(CA)CO' . . . 18775 1 6 '3D HN(CA)CB' . . . 18775 1 11 '3D HN(COCA)CB' . . . 18775 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 13 174.758 0.006 . 1 . . . . 2 ILE C . 18775 1 2 . 1 1 2 2 ILE CA C 13 60.299 0.016 . 1 . . . . 2 ILE CA . 18775 1 3 . 1 1 2 2 ILE CB C 13 37.813 0.006 . 1 . . . . 2 ILE CB . 18775 1 4 . 1 1 3 3 MET H H 1 8.419 0.002 . 1 . . . . 3 MET H . 18775 1 5 . 1 1 3 3 MET C C 13 175.339 0.015 . 1 . . . . 3 MET C . 18775 1 6 . 1 1 3 3 MET CA C 13 54.241 0.015 . 1 . . . . 3 MET CA . 18775 1 7 . 1 1 3 3 MET CB C 13 33.009 0.005 . 1 . . . . 3 MET CB . 18775 1 8 . 1 1 3 3 MET N N 15 125.859 0.022 . 1 . . . . 3 MET N . 18775 1 9 . 1 1 4 4 LEU H H 1 8.479 0.002 . 1 . . . . 4 LEU H . 18775 1 10 . 1 1 4 4 LEU C C 13 177.289 0.014 . 1 . . . . 4 LEU C . 18775 1 11 . 1 1 4 4 LEU CA C 13 54.829 0.019 . 1 . . . . 4 LEU CA . 18775 1 12 . 1 1 4 4 LEU CB C 13 43.127 0.016 . 1 . . . . 4 LEU CB . 18775 1 13 . 1 1 4 4 LEU N N 15 125.038 0.029 . 1 . . . . 4 LEU N . 18775 1 14 . 1 1 5 5 GLU H H 1 8.663 0.011 . 1 . . . . 5 GLU H . 18775 1 15 . 1 1 5 5 GLU C C 13 178.690 0.017 . 1 . . . . 5 GLU C . 18775 1 16 . 1 1 5 5 GLU CA C 13 54.830 0.035 . 1 . . . . 5 GLU CA . 18775 1 17 . 1 1 5 5 GLU CB C 13 31.184 0.014 . 1 . . . . 5 GLU CB . 18775 1 18 . 1 1 5 5 GLU N N 15 121.484 0.068 . 1 . . . . 5 GLU N . 18775 1 19 . 1 1 6 6 ASP H H 1 9.446 0.003 . 1 . . . . 6 ASP H . 18775 1 20 . 1 1 6 6 ASP C C 13 179.627 0.020 . 1 . . . . 6 ASP C . 18775 1 21 . 1 1 6 6 ASP CA C 13 58.571 0.010 . 1 . . . . 6 ASP CA . 18775 1 22 . 1 1 6 6 ASP CB C 13 38.960 0.050 . 1 . . . . 6 ASP CB . 18775 1 23 . 1 1 6 6 ASP N N 15 125.792 0.020 . 1 . . . . 6 ASP N . 18775 1 24 . 1 1 7 7 TYR H H 1 8.815 0.003 . 1 . . . . 7 TYR H . 18775 1 25 . 1 1 7 7 TYR C C 13 178.079 0.028 . 1 . . . . 7 TYR C . 18775 1 26 . 1 1 7 7 TYR CA C 13 59.801 0.038 . 1 . . . . 7 TYR CA . 18775 1 27 . 1 1 7 7 TYR CB C 13 36.132 0.012 . 1 . . . . 7 TYR CB . 18775 1 28 . 1 1 7 7 TYR N N 15 116.305 0.070 . 1 . . . . 7 TYR N . 18775 1 29 . 1 1 8 8 GLN H H 1 6.380 0.002 . 1 . . . . 8 GLN H . 18775 1 30 . 1 1 8 8 GLN C C 13 177.152 0.041 . 1 . . . . 8 GLN C . 18775 1 31 . 1 1 8 8 GLN CA C 13 58.064 0.022 . 1 . . . . 8 GLN CA . 18775 1 32 . 1 1 8 8 GLN CB C 13 29.021 0.011 . 1 . . . . 8 GLN CB . 18775 1 33 . 1 1 8 8 GLN N N 15 121.818 0.043 . 1 . . . . 8 GLN N . 18775 1 34 . 1 1 9 9 LYS H H 1 7.515 0.006 . 1 . . . . 9 LYS H . 18775 1 35 . 1 1 9 9 LYS C C 13 177.840 0.013 . 1 . . . . 9 LYS C . 18775 1 36 . 1 1 9 9 LYS CA C 13 59.816 0.060 . 1 . . . . 9 LYS CA . 18775 1 37 . 1 1 9 9 LYS CB C 13 31.744 0.069 . 1 . . . . 9 LYS CB . 18775 1 38 . 1 1 9 9 LYS N N 15 119.800 0.035 . 1 . . . . 9 LYS N . 18775 1 39 . 1 1 10 10 ASN H H 1 8.218 0.005 . 1 . . . . 10 ASN H . 18775 1 40 . 1 1 10 10 ASN C C 13 176.977 0.009 . 1 . . . . 10 ASN C . 18775 1 41 . 1 1 10 10 ASN CA C 13 55.901 0.046 . 1 . . . . 10 ASN CA . 18775 1 42 . 1 1 10 10 ASN CB C 13 38.406 0.056 . 1 . . . . 10 ASN CB . 18775 1 43 . 1 1 10 10 ASN N N 15 115.710 0.029 . 1 . . . . 10 ASN N . 18775 1 44 . 1 1 11 11 PHE H H 1 7.404 0.003 . 1 . . . . 11 PHE H . 18775 1 45 . 1 1 11 11 PHE C C 13 176.633 0.009 . 1 . . . . 11 PHE C . 18775 1 46 . 1 1 11 11 PHE CA C 13 61.080 0.046 . 1 . . . . 11 PHE CA . 18775 1 47 . 1 1 11 11 PHE CB C 13 38.815 0.020 . 1 . . . . 11 PHE CB . 18775 1 48 . 1 1 11 11 PHE N N 15 119.395 0.028 . 1 . . . . 11 PHE N . 18775 1 49 . 1 1 12 12 LEU H H 1 7.809 0.005 . 1 . . . . 12 LEU H . 18775 1 50 . 1 1 12 12 LEU C C 13 178.511 0.050 . 1 . . . . 12 LEU C . 18775 1 51 . 1 1 12 12 LEU CA C 13 57.176 0.020 . 1 . . . . 12 LEU CA . 18775 1 52 . 1 1 12 12 LEU CB C 13 40.835 0.018 . 1 . . . . 12 LEU CB . 18775 1 53 . 1 1 12 12 LEU N N 15 118.190 0.040 . 1 . . . . 12 LEU N . 18775 1 54 . 1 1 13 13 GLU H H 1 8.328 0.002 . 1 . . . . 13 GLU H . 18775 1 55 . 1 1 13 13 GLU C C 13 180.858 0.009 . 1 . . . . 13 GLU C . 18775 1 56 . 1 1 13 13 GLU CA C 13 59.031 0.044 . 1 . . . . 13 GLU CA . 18775 1 57 . 1 1 13 13 GLU CB C 13 28.369 0.043 . 1 . . . . 13 GLU CB . 18775 1 58 . 1 1 13 13 GLU N N 15 119.179 0.013 . 1 . . . . 13 GLU N . 18775 1 59 . 1 1 14 14 LEU H H 1 7.986 0.003 . 1 . . . . 14 LEU H . 18775 1 60 . 1 1 14 14 LEU C C 13 178.764 0.050 . 1 . . . . 14 LEU C . 18775 1 61 . 1 1 14 14 LEU CA C 13 57.068 0.025 . 1 . . . . 14 LEU CA . 18775 1 62 . 1 1 14 14 LEU CB C 13 40.772 0.042 . 1 . . . . 14 LEU CB . 18775 1 63 . 1 1 14 14 LEU N N 15 120.323 0.025 . 1 . . . . 14 LEU N . 18775 1 64 . 1 1 15 15 ALA H H 1 8.396 0.002 . 1 . . . . 15 ALA H . 18775 1 65 . 1 1 15 15 ALA C C 13 179.796 0.005 . 1 . . . . 15 ALA C . 18775 1 66 . 1 1 15 15 ALA CA C 13 54.221 0.034 . 1 . . . . 15 ALA CA . 18775 1 67 . 1 1 15 15 ALA CB C 13 17.515 0.015 . 1 . . . . 15 ALA CB . 18775 1 68 . 1 1 15 15 ALA N N 15 121.734 0.042 . 1 . . . . 15 ALA N . 18775 1 69 . 1 1 16 16 ILE H H 1 7.917 0.003 . 1 . . . . 16 ILE H . 18775 1 70 . 1 1 16 16 ILE C C 13 179.823 0.022 . 1 . . . . 16 ILE C . 18775 1 71 . 1 1 16 16 ILE CA C 13 62.965 0.039 . 1 . . . . 16 ILE CA . 18775 1 72 . 1 1 16 16 ILE CB C 13 36.969 0.015 . 1 . . . . 16 ILE CB . 18775 1 73 . 1 1 16 16 ILE N N 15 118.768 0.062 . 1 . . . . 16 ILE N . 18775 1 74 . 1 1 17 17 GLU H H 1 8.055 0.005 . 1 . . . . 17 GLU H . 18775 1 75 . 1 1 17 17 GLU C C 13 178.199 0.006 . 1 . . . . 17 GLU C . 18775 1 76 . 1 1 17 17 GLU CA C 13 59.590 0.032 . 1 . . . . 17 GLU CA . 18775 1 77 . 1 1 17 17 GLU CB C 13 29.515 0.048 . 1 . . . . 17 GLU CB . 18775 1 78 . 1 1 17 17 GLU N N 15 124.140 0.037 . 1 . . . . 17 GLU N . 18775 1 79 . 1 1 18 18 CYS H H 1 8.225 0.004 . 1 . . . . 18 CYS H . 18775 1 80 . 1 1 18 18 CYS C C 13 173.736 0.019 . 1 . . . . 18 CYS C . 18775 1 81 . 1 1 18 18 CYS CA C 13 57.022 0.025 . 1 . . . . 18 CYS CA . 18775 1 82 . 1 1 18 18 CYS CB C 13 28.619 0.076 . 1 . . . . 18 CYS CB . 18775 1 83 . 1 1 18 18 CYS N N 15 113.189 0.050 . 1 . . . . 18 CYS N . 18775 1 84 . 1 1 19 19 GLN H H 1 7.367 0.005 . 1 . . . . 19 GLN H . 18775 1 85 . 1 1 19 19 GLN C C 13 174.046 0.005 . 1 . . . . 19 GLN C . 18775 1 86 . 1 1 19 19 GLN CA C 13 57.336 0.002 . 1 . . . . 19 GLN CA . 18775 1 87 . 1 1 19 19 GLN CB C 13 25.177 0.035 . 1 . . . . 19 GLN CB . 18775 1 88 . 1 1 19 19 GLN N N 15 113.747 0.034 . 1 . . . . 19 GLN N . 18775 1 89 . 1 1 20 20 ALA H H 1 8.074 0.005 . 1 . . . . 20 ALA H . 18775 1 90 . 1 1 20 20 ALA C C 13 178.145 0.023 . 1 . . . . 20 ALA C . 18775 1 91 . 1 1 20 20 ALA CA C 13 54.522 0.030 . 1 . . . . 20 ALA CA . 18775 1 92 . 1 1 20 20 ALA CB C 13 20.014 0.061 . 1 . . . . 20 ALA CB . 18775 1 93 . 1 1 20 20 ALA N N 15 121.366 0.026 . 1 . . . . 20 ALA N . 18775 1 94 . 1 1 21 21 LEU H H 1 6.891 0.007 . 1 . . . . 21 LEU H . 18775 1 95 . 1 1 21 21 LEU C C 13 173.514 0.003 . 1 . . . . 21 LEU C . 18775 1 96 . 1 1 21 21 LEU CA C 13 52.861 0.021 . 1 . . . . 21 LEU CA . 18775 1 97 . 1 1 21 21 LEU CB C 13 42.288 0.060 . 1 . . . . 21 LEU CB . 18775 1 98 . 1 1 21 21 LEU N N 15 117.941 0.040 . 1 . . . . 21 LEU N . 18775 1 99 . 1 1 22 22 ARG H H 1 8.014 0.007 . 1 . . . . 22 ARG H . 18775 1 100 . 1 1 22 22 ARG C C 13 173.871 0.021 . 1 . . . . 22 ARG C . 18775 1 101 . 1 1 22 22 ARG CA C 13 53.816 0.020 . 1 . . . . 22 ARG CA . 18775 1 102 . 1 1 22 22 ARG CB C 13 34.448 0.033 . 1 . . . . 22 ARG CB . 18775 1 103 . 1 1 22 22 ARG N N 15 124.440 0.032 . 1 . . . . 22 ARG N . 18775 1 104 . 1 1 23 23 PHE H H 1 8.850 0.003 . 1 . . . . 23 PHE H . 18775 1 105 . 1 1 23 23 PHE C C 13 176.090 0.023 . 1 . . . . 23 PHE C . 18775 1 106 . 1 1 23 23 PHE CA C 13 56.899 0.013 . 1 . . . . 23 PHE CA . 18775 1 107 . 1 1 23 23 PHE CB C 13 40.862 0.013 . 1 . . . . 23 PHE CB . 18775 1 108 . 1 1 23 23 PHE N N 15 120.438 0.043 . 1 . . . . 23 PHE N . 18775 1 109 . 1 1 24 24 GLY H H 1 8.383 0.005 . 1 . . . . 24 GLY H . 18775 1 110 . 1 1 24 24 GLY C C 13 171.263 0.005 . 1 . . . . 24 GLY C . 18775 1 111 . 1 1 24 24 GLY CA C 13 46.127 0.037 . 1 . . . . 24 GLY CA . 18775 1 112 . 1 1 24 24 GLY N N 15 112.167 0.056 . 1 . . . . 24 GLY N . 18775 1 113 . 1 1 25 25 SER H H 1 7.477 0.003 . 1 . . . . 25 SER H . 18775 1 114 . 1 1 25 25 SER C C 13 173.036 0.017 . 1 . . . . 25 SER C . 18775 1 115 . 1 1 25 25 SER CA C 13 57.408 0.024 . 1 . . . . 25 SER CA . 18775 1 116 . 1 1 25 25 SER CB C 13 63.365 0.065 . 1 . . . . 25 SER CB . 18775 1 117 . 1 1 25 25 SER N N 15 120.396 0.030 . 1 . . . . 25 SER N . 18775 1 118 . 1 1 26 26 PHE H H 1 8.854 0.003 . 1 . . . . 26 PHE H . 18775 1 119 . 1 1 26 26 PHE C C 13 174.020 0.020 . 1 . . . . 26 PHE C . 18775 1 120 . 1 1 26 26 PHE CA C 13 56.073 0.014 . 1 . . . . 26 PHE CA . 18775 1 121 . 1 1 26 26 PHE CB C 13 41.883 0.030 . 1 . . . . 26 PHE CB . 18775 1 122 . 1 1 26 26 PHE N N 15 125.709 0.035 . 1 . . . . 26 PHE N . 18775 1 123 . 1 1 27 27 LYS H H 1 8.617 0.005 . 1 . . . . 27 LYS H . 18775 1 124 . 1 1 27 27 LYS C C 13 176.557 0.015 . 1 . . . . 27 LYS C . 18775 1 125 . 1 1 27 27 LYS CA C 13 55.156 0.027 . 1 . . . . 27 LYS CA . 18775 1 126 . 1 1 27 27 LYS CB C 13 31.503 0.027 . 1 . . . . 27 LYS CB . 18775 1 127 . 1 1 27 27 LYS N N 15 126.061 0.024 . 1 . . . . 27 LYS N . 18775 1 128 . 1 1 28 28 LEU H H 1 8.940 0.003 . 1 . . . . 28 LEU H . 18775 1 129 . 1 1 28 28 LEU C C 13 178.981 0.017 . 1 . . . . 28 LEU C . 18775 1 130 . 1 1 28 28 LEU CA C 13 53.831 0.022 . 1 . . . . 28 LEU CA . 18775 1 131 . 1 1 28 28 LEU CB C 13 39.793 0.031 . 1 . . . . 28 LEU CB . 18775 1 132 . 1 1 28 28 LEU N N 15 125.624 0.044 . 1 . . . . 28 LEU N . 18775 1 133 . 1 1 29 29 LYS H H 1 10.174 0.005 . 1 . . . . 29 LYS H . 18775 1 134 . 1 1 29 29 LYS C C 13 179.482 0.050 . 1 . . . . 29 LYS C . 18775 1 135 . 1 1 29 29 LYS CA C 13 60.580 0.007 . 1 . . . . 29 LYS CA . 18775 1 136 . 1 1 29 29 LYS CB C 13 30.771 0.006 . 1 . . . . 29 LYS CB . 18775 1 137 . 1 1 29 29 LYS N N 15 129.032 0.049 . 1 . . . . 29 LYS N . 18775 1 138 . 1 1 30 30 SER C C 13 176.467 0.010 . 1 . . . . 30 SER C . 18775 1 139 . 1 1 30 30 SER CA C 13 58.873 0.021 . 1 . . . . 30 SER CA . 18775 1 140 . 1 1 30 30 SER CB C 13 64.226 0.050 . 1 . . . . 30 SER CB . 18775 1 141 . 1 1 31 31 GLY H H 1 8.356 0.005 . 1 . . . . 31 GLY H . 18775 1 142 . 1 1 31 31 GLY C C 13 173.691 0.004 . 1 . . . . 31 GLY C . 18775 1 143 . 1 1 31 31 GLY CA C 13 44.713 0.036 . 1 . . . . 31 GLY CA . 18775 1 144 . 1 1 31 31 GLY N N 15 112.268 0.058 . 1 . . . . 31 GLY N . 18775 1 145 . 1 1 32 32 ARG H H 1 6.522 0.003 . 1 . . . . 32 ARG H . 18775 1 146 . 1 1 32 32 ARG C C 13 174.932 0.010 . 1 . . . . 32 ARG C . 18775 1 147 . 1 1 32 32 ARG CA C 13 56.292 0.032 . 1 . . . . 32 ARG CA . 18775 1 148 . 1 1 32 32 ARG CB C 13 30.773 0.017 . 1 . . . . 32 ARG CB . 18775 1 149 . 1 1 32 32 ARG N N 15 119.424 0.026 . 1 . . . . 32 ARG N . 18775 1 150 . 1 1 33 33 GLU H H 1 8.735 0.002 . 1 . . . . 33 GLU H . 18775 1 151 . 1 1 33 33 GLU C C 13 175.562 0.014 . 1 . . . . 33 GLU C . 18775 1 152 . 1 1 33 33 GLU CA C 13 55.346 0.022 . 1 . . . . 33 GLU CA . 18775 1 153 . 1 1 33 33 GLU CB C 13 28.361 0.066 . 1 . . . . 33 GLU CB . 18775 1 154 . 1 1 33 33 GLU N N 15 124.069 0.034 . 1 . . . . 33 GLU N . 18775 1 155 . 1 1 34 34 SER H H 1 8.968 0.005 . 1 . . . . 34 SER H . 18775 1 156 . 1 1 34 34 SER C C 13 174.513 0.003 . 1 . . . . 34 SER C . 18775 1 157 . 1 1 34 34 SER CA C 13 53.139 0.018 . 1 . . . . 34 SER CA . 18775 1 158 . 1 1 34 34 SER CB C 13 65.167 0.012 . 1 . . . . 34 SER CB . 18775 1 159 . 1 1 34 34 SER N N 15 120.709 0.029 . 1 . . . . 34 SER N . 18775 1 160 . 1 1 36 36 TYR C C 13 173.830 0.023 . 1 . . . . 36 TYR C . 18775 1 161 . 1 1 36 36 TYR CA C 13 56.066 0.022 . 1 . . . . 36 TYR CA . 18775 1 162 . 1 1 36 36 TYR CB C 13 41.812 0.050 . 1 . . . . 36 TYR CB . 18775 1 163 . 1 1 37 37 PHE H H 1 8.700 0.005 . 1 . . . . 37 PHE H . 18775 1 164 . 1 1 37 37 PHE C C 13 171.341 0.020 . 1 . . . . 37 PHE C . 18775 1 165 . 1 1 37 37 PHE CA C 13 57.369 0.033 . 1 . . . . 37 PHE CA . 18775 1 166 . 1 1 37 37 PHE CB C 13 41.351 0.058 . 1 . . . . 37 PHE CB . 18775 1 167 . 1 1 37 37 PHE N N 15 126.331 0.034 . 1 . . . . 37 PHE N . 18775 1 168 . 1 1 38 38 PHE H H 1 7.505 0.009 . 1 . . . . 38 PHE H . 18775 1 169 . 1 1 38 38 PHE C C 13 173.462 0.010 . 1 . . . . 38 PHE C . 18775 1 170 . 1 1 38 38 PHE CA C 13 55.072 0.016 . 1 . . . . 38 PHE CA . 18775 1 171 . 1 1 38 38 PHE CB C 13 42.713 0.060 . 1 . . . . 38 PHE CB . 18775 1 172 . 1 1 38 38 PHE N N 15 128.756 0.034 . 1 . . . . 38 PHE N . 18775 1 173 . 1 1 39 39 ASN H H 1 9.493 0.003 . 1 . . . . 39 ASN H . 18775 1 174 . 1 1 39 39 ASN C C 13 174.533 0.023 . 1 . . . . 39 ASN C . 18775 1 175 . 1 1 39 39 ASN CA C 13 50.172 0.034 . 1 . . . . 39 ASN CA . 18775 1 176 . 1 1 39 39 ASN CB C 13 38.305 0.017 . 1 . . . . 39 ASN CB . 18775 1 177 . 1 1 39 39 ASN N N 15 129.430 0.033 . 1 . . . . 39 ASN N . 18775 1 178 . 1 1 40 40 LEU H H 1 9.774 0.004 . 1 . . . . 40 LEU H . 18775 1 179 . 1 1 40 40 LEU C C 13 178.952 0.010 . 1 . . . . 40 LEU C . 18775 1 180 . 1 1 40 40 LEU CA C 13 56.023 0.013 . 1 . . . . 40 LEU CA . 18775 1 181 . 1 1 40 40 LEU CB C 13 42.074 0.152 . 1 . . . . 40 LEU CB . 18775 1 182 . 1 1 40 40 LEU N N 15 126.869 0.034 . 1 . . . . 40 LEU N . 18775 1 183 . 1 1 41 41 GLY H H 1 8.447 0.005 . 1 . . . . 41 GLY H . 18775 1 184 . 1 1 41 41 GLY C C 13 174.854 0.010 . 1 . . . . 41 GLY C . 18775 1 185 . 1 1 41 41 GLY CA C 13 45.846 0.033 . 1 . . . . 41 GLY CA . 18775 1 186 . 1 1 41 41 GLY N N 15 106.891 0.039 . 1 . . . . 41 GLY N . 18775 1 187 . 1 1 42 42 LEU H H 1 7.100 0.002 . 1 . . . . 42 LEU H . 18775 1 188 . 1 1 42 42 LEU C C 13 178.338 0.003 . 1 . . . . 42 LEU C . 18775 1 189 . 1 1 42 42 LEU CA C 13 54.989 0.014 . 1 . . . . 42 LEU CA . 18775 1 190 . 1 1 42 42 LEU CB C 13 39.026 0.052 . 1 . . . . 42 LEU CB . 18775 1 191 . 1 1 42 42 LEU N N 15 119.415 0.034 . 1 . . . . 42 LEU N . 18775 1 192 . 1 1 43 43 PHE H H 1 7.838 0.003 . 1 . . . . 43 PHE H . 18775 1 193 . 1 1 43 43 PHE C C 13 175.987 0.015 . 1 . . . . 43 PHE C . 18775 1 194 . 1 1 43 43 PHE CA C 13 56.984 0.042 . 1 . . . . 43 PHE CA . 18775 1 195 . 1 1 43 43 PHE CB C 13 36.036 0.023 . 1 . . . . 43 PHE CB . 18775 1 196 . 1 1 43 43 PHE N N 15 121.545 0.048 . 1 . . . . 43 PHE N . 18775 1 197 . 1 1 44 44 ASN H H 1 7.582 0.003 . 1 . . . . 44 ASN H . 18775 1 198 . 1 1 44 44 ASN C C 13 175.063 0.032 . 1 . . . . 44 ASN C . 18775 1 199 . 1 1 44 44 ASN CA C 13 52.648 0.001 . 1 . . . . 44 ASN CA . 18775 1 200 . 1 1 44 44 ASN CB C 13 38.089 0.002 . 1 . . . . 44 ASN CB . 18775 1 201 . 1 1 44 44 ASN N N 15 118.319 0.057 . 1 . . . . 44 ASN N . 18775 1 202 . 1 1 45 45 THR H H 1 7.009 0.004 . 1 . . . . 45 THR H . 18775 1 203 . 1 1 45 45 THR C C 13 176.696 0.055 . 1 . . . . 45 THR C . 18775 1 204 . 1 1 45 45 THR CA C 13 57.748 0.024 . 1 . . . . 45 THR CA . 18775 1 205 . 1 1 45 45 THR CB C 13 72.670 0.102 . 1 . . . . 45 THR CB . 18775 1 206 . 1 1 45 45 THR N N 15 106.974 0.048 . 1 . . . . 45 THR N . 18775 1 207 . 1 1 46 46 GLY H H 1 8.555 0.006 . 1 . . . . 46 GLY H . 18775 1 208 . 1 1 46 46 GLY C C 13 175.580 0.018 . 1 . . . . 46 GLY C . 18775 1 209 . 1 1 46 46 GLY CA C 13 49.631 0.002 . 1 . . . . 46 GLY CA . 18775 1 210 . 1 1 46 46 GLY N N 15 108.599 0.060 . 1 . . . . 46 GLY N . 18775 1 211 . 1 1 47 47 LYS H H 1 8.232 0.006 . 1 . . . . 47 LYS H . 18775 1 212 . 1 1 47 47 LYS C C 13 179.863 0.042 . 1 . . . . 47 LYS C . 18775 1 213 . 1 1 47 47 LYS CA C 13 59.393 0.004 . 1 . . . . 47 LYS CA . 18775 1 214 . 1 1 47 47 LYS CB C 13 32.438 0.050 . 1 . . . . 47 LYS CB . 18775 1 215 . 1 1 47 47 LYS N N 15 120.667 0.063 . 1 . . . . 47 LYS N . 18775 1 216 . 1 1 48 48 LEU H H 1 7.923 0.004 . 1 . . . . 48 LEU H . 18775 1 217 . 1 1 48 48 LEU C C 13 179.487 0.021 . 1 . . . . 48 LEU C . 18775 1 218 . 1 1 48 48 LEU CA C 13 58.399 0.019 . 1 . . . . 48 LEU CA . 18775 1 219 . 1 1 48 48 LEU CB C 13 41.092 0.050 . 1 . . . . 48 LEU CB . 18775 1 220 . 1 1 48 48 LEU N N 15 121.761 0.021 . 1 . . . . 48 LEU N . 18775 1 221 . 1 1 49 49 LEU H H 1 9.480 0.002 . 1 . . . . 49 LEU H . 18775 1 222 . 1 1 49 49 LEU C C 13 178.844 0.050 . 1 . . . . 49 LEU C . 18775 1 223 . 1 1 49 49 LEU CA C 13 57.513 0.088 . 1 . . . . 49 LEU CA . 18775 1 224 . 1 1 49 49 LEU CB C 13 43.545 0.034 . 1 . . . . 49 LEU CB . 18775 1 225 . 1 1 49 49 LEU N N 15 121.358 0.016 . 1 . . . . 49 LEU N . 18775 1 226 . 1 1 50 50 SER H H 1 8.295 0.004 . 1 . . . . 50 SER H . 18775 1 227 . 1 1 50 50 SER C C 13 178.308 0.050 . 1 . . . . 50 SER C . 18775 1 228 . 1 1 50 50 SER CA C 13 61.536 0.050 . 1 . . . . 50 SER CA . 18775 1 229 . 1 1 50 50 SER CB C 13 62.731 0.050 . 1 . . . . 50 SER CB . 18775 1 230 . 1 1 50 50 SER N N 15 113.978 0.043 . 1 . . . . 50 SER N . 18775 1 231 . 1 1 51 51 ASN H H 1 7.770 0.003 . 1 . . . . 51 ASN H . 18775 1 232 . 1 1 51 51 ASN C C 13 177.812 0.031 . 1 . . . . 51 ASN C . 18775 1 233 . 1 1 51 51 ASN CA C 13 57.245 0.050 . 1 . . . . 51 ASN CA . 18775 1 234 . 1 1 51 51 ASN CB C 13 40.572 0.045 . 1 . . . . 51 ASN CB . 18775 1 235 . 1 1 51 51 ASN N N 15 118.623 0.045 . 1 . . . . 51 ASN N . 18775 1 236 . 1 1 52 52 LEU H H 1 8.855 0.004 . 1 . . . . 52 LEU H . 18775 1 237 . 1 1 52 52 LEU C C 13 177.329 0.006 . 1 . . . . 52 LEU C . 18775 1 238 . 1 1 52 52 LEU CA C 13 57.914 0.049 . 1 . . . . 52 LEU CA . 18775 1 239 . 1 1 52 52 LEU CB C 13 42.047 0.002 . 1 . . . . 52 LEU CB . 18775 1 240 . 1 1 52 52 LEU N N 15 124.219 0.034 . 1 . . . . 52 LEU N . 18775 1 241 . 1 1 53 53 ALA H H 1 8.814 0.002 . 1 . . . . 53 ALA H . 18775 1 242 . 1 1 53 53 ALA C C 13 179.522 0.029 . 1 . . . . 53 ALA C . 18775 1 243 . 1 1 53 53 ALA CA C 13 54.683 0.043 . 1 . . . . 53 ALA CA . 18775 1 244 . 1 1 53 53 ALA CB C 13 17.880 0.004 . 1 . . . . 53 ALA CB . 18775 1 245 . 1 1 53 53 ALA N N 15 120.151 0.019 . 1 . . . . 53 ALA N . 18775 1 246 . 1 1 54 54 THR H H 1 7.767 0.004 . 1 . . . . 54 THR H . 18775 1 247 . 1 1 54 54 THR C C 13 174.065 0.050 . 1 . . . . 54 THR C . 18775 1 248 . 1 1 54 54 THR CA C 13 67.300 0.030 . 1 . . . . 54 THR CA . 18775 1 249 . 1 1 54 54 THR CB C 13 68.403 0.050 . 1 . . . . 54 THR CB . 18775 1 250 . 1 1 54 54 THR N N 15 114.455 0.042 . 1 . . . . 54 THR N . 18775 1 251 . 1 1 55 55 ALA H H 1 7.836 0.003 . 1 . . . . 55 ALA H . 18775 1 252 . 1 1 55 55 ALA C C 13 178.882 0.015 . 1 . . . . 55 ALA C . 18775 1 253 . 1 1 55 55 ALA CA C 13 55.580 0.007 . 1 . . . . 55 ALA CA . 18775 1 254 . 1 1 55 55 ALA CB C 13 17.172 0.023 . 1 . . . . 55 ALA CB . 18775 1 255 . 1 1 55 55 ALA N N 15 124.265 0.027 . 1 . . . . 55 ALA N . 18775 1 256 . 1 1 56 56 TYR H H 1 7.724 0.003 . 1 . . . . 56 TYR H . 18775 1 257 . 1 1 56 56 TYR C C 13 178.280 0.015 . 1 . . . . 56 TYR C . 18775 1 258 . 1 1 56 56 TYR CA C 13 62.108 0.008 . 1 . . . . 56 TYR CA . 18775 1 259 . 1 1 56 56 TYR CB C 13 40.850 0.050 . 1 . . . . 56 TYR CB . 18775 1 260 . 1 1 56 56 TYR N N 15 113.731 0.036 . 1 . . . . 56 TYR N . 18775 1 261 . 1 1 57 57 ALA H H 1 8.138 0.002 . 1 . . . . 57 ALA H . 18775 1 262 . 1 1 57 57 ALA C C 13 178.781 0.014 . 1 . . . . 57 ALA C . 18775 1 263 . 1 1 57 57 ALA CA C 13 55.289 0.011 . 1 . . . . 57 ALA CA . 18775 1 264 . 1 1 57 57 ALA CB C 13 17.635 0.016 . 1 . . . . 57 ALA CB . 18775 1 265 . 1 1 57 57 ALA N N 15 118.777 0.044 . 1 . . . . 57 ALA N . 18775 1 266 . 1 1 58 58 ILE H H 1 8.572 0.001 . 1 . . . . 58 ILE H . 18775 1 267 . 1 1 58 58 ILE C C 13 177.948 0.025 . 1 . . . . 58 ILE C . 18775 1 268 . 1 1 58 58 ILE CA C 13 65.120 0.002 . 1 . . . . 58 ILE CA . 18775 1 269 . 1 1 58 58 ILE CB C 13 36.992 0.050 . 1 . . . . 58 ILE CB . 18775 1 270 . 1 1 58 58 ILE N N 15 118.919 0.027 . 1 . . . . 58 ILE N . 18775 1 271 . 1 1 59 59 ALA H H 1 7.025 0.002 . 1 . . . . 59 ALA H . 18775 1 272 . 1 1 59 59 ALA C C 13 181.185 0.006 . 1 . . . . 59 ALA C . 18775 1 273 . 1 1 59 59 ALA CA C 13 54.820 0.016 . 1 . . . . 59 ALA CA . 18775 1 274 . 1 1 59 59 ALA CB C 13 17.433 0.050 . 1 . . . . 59 ALA CB . 18775 1 275 . 1 1 59 59 ALA N N 15 121.379 0.028 . 1 . . . . 59 ALA N . 18775 1 276 . 1 1 60 60 ILE H H 1 8.111 0.002 . 1 . . . . 60 ILE H . 18775 1 277 . 1 1 60 60 ILE C C 13 180.484 0.030 . 1 . . . . 60 ILE C . 18775 1 278 . 1 1 60 60 ILE CA C 13 65.186 0.015 . 1 . . . . 60 ILE CA . 18775 1 279 . 1 1 60 60 ILE CB C 13 37.756 0.050 . 1 . . . . 60 ILE CB . 18775 1 280 . 1 1 60 60 ILE N N 15 118.408 0.028 . 1 . . . . 60 ILE N . 18775 1 281 . 1 1 61 61 ILE H H 1 9.116 0.005 . 1 . . . . 61 ILE H . 18775 1 282 . 1 1 61 61 ILE C C 13 179.559 0.018 . 1 . . . . 61 ILE C . 18775 1 283 . 1 1 61 61 ILE CA C 13 65.840 0.046 . 1 . . . . 61 ILE CA . 18775 1 284 . 1 1 61 61 ILE CB C 13 37.504 0.080 . 1 . . . . 61 ILE CB . 18775 1 285 . 1 1 61 61 ILE N N 15 126.343 0.014 . 1 . . . . 61 ILE N . 18775 1 286 . 1 1 62 62 GLN H H 1 8.359 0.005 . 1 . . . . 62 GLN H . 18775 1 287 . 1 1 62 62 GLN C C 13 177.124 0.014 . 1 . . . . 62 GLN C . 18775 1 288 . 1 1 62 62 GLN CA C 13 57.733 0.008 . 1 . . . . 62 GLN CA . 18775 1 289 . 1 1 62 62 GLN CB C 13 27.580 0.077 . 1 . . . . 62 GLN CB . 18775 1 290 . 1 1 62 62 GLN N N 15 118.033 0.066 . 1 . . . . 62 GLN N . 18775 1 291 . 1 1 63 63 SER H H 1 7.452 0.006 . 1 . . . . 63 SER H . 18775 1 292 . 1 1 63 63 SER C C 13 174.953 0.005 . 1 . . . . 63 SER C . 18775 1 293 . 1 1 63 63 SER CA C 13 60.149 0.027 . 1 . . . . 63 SER CA . 18775 1 294 . 1 1 63 63 SER CB C 13 65.016 0.021 . 1 . . . . 63 SER CB . 18775 1 295 . 1 1 63 63 SER N N 15 115.001 0.038 . 1 . . . . 63 SER N . 18775 1 296 . 1 1 64 64 ASP H H 1 7.788 0.005 . 1 . . . . 64 ASP H . 18775 1 297 . 1 1 64 64 ASP C C 13 175.509 0.025 . 1 . . . . 64 ASP C . 18775 1 298 . 1 1 64 64 ASP CA C 13 55.397 0.017 . 1 . . . . 64 ASP CA . 18775 1 299 . 1 1 64 64 ASP CB C 13 40.936 0.079 . 1 . . . . 64 ASP CB . 18775 1 300 . 1 1 64 64 ASP N N 15 118.687 0.032 . 1 . . . . 64 ASP N . 18775 1 301 . 1 1 65 65 LEU H H 1 7.802 0.003 . 1 . . . . 65 LEU H . 18775 1 302 . 1 1 65 65 LEU C C 13 177.102 0.061 . 1 . . . . 65 LEU C . 18775 1 303 . 1 1 65 65 LEU CA C 13 55.856 0.019 . 1 . . . . 65 LEU CA . 18775 1 304 . 1 1 65 65 LEU CB C 13 43.083 0.023 . 1 . . . . 65 LEU CB . 18775 1 305 . 1 1 65 65 LEU N N 15 121.185 0.030 . 1 . . . . 65 LEU N . 18775 1 306 . 1 1 66 66 LYS H H 1 8.463 0.001 . 1 . . . . 66 LYS H . 18775 1 307 . 1 1 66 66 LYS C C 13 175.180 0.004 . 1 . . . . 66 LYS C . 18775 1 308 . 1 1 66 66 LYS CA C 13 54.675 0.005 . 1 . . . . 66 LYS CA . 18775 1 309 . 1 1 66 66 LYS CB C 13 32.085 0.051 . 1 . . . . 66 LYS CB . 18775 1 310 . 1 1 66 66 LYS N N 15 124.485 0.073 . 1 . . . . 66 LYS N . 18775 1 311 . 1 1 67 67 PHE H H 1 7.593 0.001 . 1 . . . . 67 PHE H . 18775 1 312 . 1 1 67 67 PHE C C 13 170.939 0.022 . 1 . . . . 67 PHE C . 18775 1 313 . 1 1 67 67 PHE CA C 13 55.395 0.017 . 1 . . . . 67 PHE CA . 18775 1 314 . 1 1 67 67 PHE CB C 13 39.130 0.101 . 1 . . . . 67 PHE CB . 18775 1 315 . 1 1 67 67 PHE N N 15 119.646 0.048 . 1 . . . . 67 PHE N . 18775 1 316 . 1 1 68 68 ASP H H 1 9.094 0.006 . 1 . . . . 68 ASP H . 18775 1 317 . 1 1 68 68 ASP C C 13 176.150 0.050 . 1 . . . . 68 ASP C . 18775 1 318 . 1 1 68 68 ASP CA C 13 55.567 0.031 . 1 . . . . 68 ASP CA . 18775 1 319 . 1 1 68 68 ASP CB C 13 45.376 0.050 . 1 . . . . 68 ASP CB . 18775 1 320 . 1 1 68 68 ASP N N 15 116.410 0.028 . 1 . . . . 68 ASP N . 18775 1 321 . 1 1 69 69 VAL C C 13 174.281 0.005 . 1 . . . . 69 VAL C . 18775 1 322 . 1 1 69 69 VAL CA C 13 59.402 0.050 . 1 . . . . 69 VAL CA . 18775 1 323 . 1 1 69 69 VAL CB C 13 36.976 0.050 . 1 . . . . 69 VAL CB . 18775 1 324 . 1 1 70 70 ILE H H 1 9.277 0.003 . 1 . . . . 70 ILE H . 18775 1 325 . 1 1 70 70 ILE C C 13 172.729 0.015 . 1 . . . . 70 ILE C . 18775 1 326 . 1 1 70 70 ILE CA C 13 58.990 0.024 . 1 . . . . 70 ILE CA . 18775 1 327 . 1 1 70 70 ILE CB C 13 40.041 0.027 . 1 . . . . 70 ILE CB . 18775 1 328 . 1 1 70 70 ILE N N 15 127.713 0.031 . 1 . . . . 70 ILE N . 18775 1 329 . 1 1 71 71 PHE H H 1 9.177 0.001 . 1 . . . . 71 PHE H . 18775 1 330 . 1 1 71 71 PHE C C 13 173.619 0.019 . 1 . . . . 71 PHE C . 18775 1 331 . 1 1 71 71 PHE CA C 13 55.022 0.049 . 1 . . . . 71 PHE CA . 18775 1 332 . 1 1 71 71 PHE CB C 13 43.260 0.036 . 1 . . . . 71 PHE CB . 18775 1 333 . 1 1 71 71 PHE N N 15 129.834 0.018 . 1 . . . . 71 PHE N . 18775 1 334 . 1 1 72 72 GLY H H 1 7.667 0.007 . 1 . . . . 72 GLY H . 18775 1 335 . 1 1 72 72 GLY CA C 13 41.826 0.022 . 1 . . . . 72 GLY CA . 18775 1 336 . 1 1 72 72 GLY N N 15 116.542 0.045 . 1 . . . . 72 GLY N . 18775 1 337 . 1 1 73 73 PRO C C 13 177.835 0.005 . 1 . . . . 73 PRO C . 18775 1 338 . 1 1 73 73 PRO CA C 13 60.123 0.053 . 1 . . . . 73 PRO CA . 18775 1 339 . 1 1 73 73 PRO CB C 13 31.993 0.048 . 1 . . . . 73 PRO CB . 18775 1 340 . 1 1 74 74 ALA H H 1 9.122 0.004 . 1 . . . . 74 ALA H . 18775 1 341 . 1 1 74 74 ALA C C 13 181.022 0.004 . 1 . . . . 74 ALA C . 18775 1 342 . 1 1 74 74 ALA CA C 13 48.235 0.023 . 1 . . . . 74 ALA CA . 18775 1 343 . 1 1 74 74 ALA CB C 13 17.582 0.053 . 1 . . . . 74 ALA CB . 18775 1 344 . 1 1 74 74 ALA N N 15 125.014 0.030 . 1 . . . . 74 ALA N . 18775 1 345 . 1 1 76 76 LYS C C 13 177.075 0.002 . 1 . . . . 76 LYS C . 18775 1 346 . 1 1 76 76 LYS CA C 13 59.352 0.046 . 1 . . . . 76 LYS CA . 18775 1 347 . 1 1 76 76 LYS CB C 13 31.306 0.050 . 1 . . . . 76 LYS CB . 18775 1 348 . 1 1 77 77 GLY H H 1 8.607 0.002 . 1 . . . . 77 GLY H . 18775 1 349 . 1 1 77 77 GLY C C 13 174.494 0.009 . 1 . . . . 77 GLY C . 18775 1 350 . 1 1 77 77 GLY CA C 13 45.207 0.041 . 1 . . . . 77 GLY CA . 18775 1 351 . 1 1 77 77 GLY N N 15 106.358 0.059 . 1 . . . . 77 GLY N . 18775 1 352 . 1 1 78 78 ILE H H 1 7.440 0.006 . 1 . . . . 78 ILE H . 18775 1 353 . 1 1 78 78 ILE C C 13 174.359 0.047 . 1 . . . . 78 ILE C . 18775 1 354 . 1 1 78 78 ILE CA C 13 66.516 0.015 . 1 . . . . 78 ILE CA . 18775 1 355 . 1 1 78 78 ILE CB C 13 33.606 0.002 . 1 . . . . 78 ILE CB . 18775 1 356 . 1 1 78 78 ILE N N 15 120.375 0.024 . 1 . . . . 78 ILE N . 18775 1 357 . 1 1 79 79 PRO C C 13 177.892 0.014 . 1 . . . . 79 PRO C . 18775 1 358 . 1 1 79 79 PRO CA C 13 64.845 0.074 . 1 . . . . 79 PRO CA . 18775 1 359 . 1 1 79 79 PRO CB C 13 31.168 0.050 . 1 . . . . 79 PRO CB . 18775 1 360 . 1 1 80 80 LEU H H 1 5.760 0.005 . 1 . . . . 80 LEU H . 18775 1 361 . 1 1 80 80 LEU C C 13 177.126 0.060 . 1 . . . . 80 LEU C . 18775 1 362 . 1 1 80 80 LEU CA C 13 56.418 0.011 . 1 . . . . 80 LEU CA . 18775 1 363 . 1 1 80 80 LEU CB C 13 40.670 0.017 . 1 . . . . 80 LEU CB . 18775 1 364 . 1 1 80 80 LEU N N 15 111.950 0.052 . 1 . . . . 80 LEU N . 18775 1 365 . 1 1 81 81 ALA H H 1 7.982 0.007 . 1 . . . . 81 ALA H . 18775 1 366 . 1 1 81 81 ALA C C 13 178.424 0.004 . 1 . . . . 81 ALA C . 18775 1 367 . 1 1 81 81 ALA CA C 13 55.109 0.024 . 1 . . . . 81 ALA CA . 18775 1 368 . 1 1 81 81 ALA CB C 13 17.228 0.020 . 1 . . . . 81 ALA CB . 18775 1 369 . 1 1 81 81 ALA N N 15 119.554 0.056 . 1 . . . . 81 ALA N . 18775 1 370 . 1 1 82 82 ALA H H 1 6.893 0.008 . 1 . . . . 82 ALA H . 18775 1 371 . 1 1 82 82 ALA C C 13 178.553 0.033 . 1 . . . . 82 ALA C . 18775 1 372 . 1 1 82 82 ALA CA C 13 55.001 0.037 . 1 . . . . 82 ALA CA . 18775 1 373 . 1 1 82 82 ALA CB C 13 17.602 0.121 . 1 . . . . 82 ALA CB . 18775 1 374 . 1 1 82 82 ALA N N 15 116.731 0.048 . 1 . . . . 82 ALA N . 18775 1 375 . 1 1 83 83 ILE H H 1 7.987 0.006 . 1 . . . . 83 ILE H . 18775 1 376 . 1 1 83 83 ILE C C 13 179.184 0.048 . 1 . . . . 83 ILE C . 18775 1 377 . 1 1 83 83 ILE CA C 13 64.684 0.009 . 1 . . . . 83 ILE CA . 18775 1 378 . 1 1 83 83 ILE CB C 13 35.658 0.013 . 1 . . . . 83 ILE CB . 18775 1 379 . 1 1 83 83 ILE N N 15 109.446 0.053 . 1 . . . . 83 ILE N . 18775 1 380 . 1 1 84 84 VAL H H 1 7.845 0.002 . 1 . . . . 84 VAL H . 18775 1 381 . 1 1 84 84 VAL C C 13 176.191 0.050 . 1 . . . . 84 VAL C . 18775 1 382 . 1 1 84 84 VAL CA C 13 66.451 0.047 . 1 . . . . 84 VAL CA . 18775 1 383 . 1 1 84 84 VAL CB C 13 30.507 0.050 . 1 . . . . 84 VAL CB . 18775 1 384 . 1 1 84 84 VAL N N 15 124.067 0.030 . 1 . . . . 84 VAL N . 18775 1 385 . 1 1 85 85 CYS H H 1 7.800 0.001 . 1 . . . . 85 CYS H . 18775 1 386 . 1 1 85 85 CYS C C 13 176.664 0.050 . 1 . . . . 85 CYS C . 18775 1 387 . 1 1 85 85 CYS CA C 13 63.703 0.016 . 1 . . . . 85 CYS CA . 18775 1 388 . 1 1 85 85 CYS CB C 13 26.017 0.050 . 1 . . . . 85 CYS CB . 18775 1 389 . 1 1 85 85 CYS N N 15 121.840 0.056 . 1 . . . . 85 CYS N . 18775 1 390 . 1 1 86 86 VAL H H 1 7.278 0.002 . 1 . . . . 86 VAL H . 18775 1 391 . 1 1 86 86 VAL C C 13 177.679 0.060 . 1 . . . . 86 VAL C . 18775 1 392 . 1 1 86 86 VAL CA C 13 66.443 0.036 . 1 . . . . 86 VAL CA . 18775 1 393 . 1 1 86 86 VAL CB C 13 31.272 0.050 . 1 . . . . 86 VAL CB . 18775 1 394 . 1 1 86 86 VAL N N 15 115.849 0.019 . 1 . . . . 86 VAL N . 18775 1 395 . 1 1 87 87 LYS H H 1 7.716 0.002 . 1 . . . . 87 LYS H . 18775 1 396 . 1 1 87 87 LYS C C 13 178.860 0.047 . 1 . . . . 87 LYS C . 18775 1 397 . 1 1 87 87 LYS CA C 13 56.500 0.015 . 1 . . . . 87 LYS CA . 18775 1 398 . 1 1 87 87 LYS CB C 13 29.775 0.030 . 1 . . . . 87 LYS CB . 18775 1 399 . 1 1 87 87 LYS N N 15 118.423 0.063 . 1 . . . . 87 LYS N . 18775 1 400 . 1 1 88 88 LEU H H 1 8.698 0.002 . 1 . . . . 88 LEU H . 18775 1 401 . 1 1 88 88 LEU C C 13 178.875 0.013 . 1 . . . . 88 LEU C . 18775 1 402 . 1 1 88 88 LEU CA C 13 57.894 0.033 . 1 . . . . 88 LEU CA . 18775 1 403 . 1 1 88 88 LEU CB C 13 40.964 0.050 . 1 . . . . 88 LEU CB . 18775 1 404 . 1 1 88 88 LEU N N 15 118.942 0.019 . 1 . . . . 88 LEU N . 18775 1 405 . 1 1 89 89 ALA H H 1 7.114 0.004 . 1 . . . . 89 ALA H . 18775 1 406 . 1 1 89 89 ALA C C 13 179.895 0.019 . 1 . . . . 89 ALA C . 18775 1 407 . 1 1 89 89 ALA CA C 13 54.150 0.024 . 1 . . . . 89 ALA CA . 18775 1 408 . 1 1 89 89 ALA CB C 13 17.234 0.120 . 1 . . . . 89 ALA CB . 18775 1 409 . 1 1 89 89 ALA N N 15 119.720 0.057 . 1 . . . . 89 ALA N . 18775 1 410 . 1 1 90 90 GLU H H 1 8.010 0.004 . 1 . . . . 90 GLU H . 18775 1 411 . 1 1 90 90 GLU C C 13 179.494 0.018 . 1 . . . . 90 GLU C . 18775 1 412 . 1 1 90 90 GLU CA C 13 58.518 0.052 . 1 . . . . 90 GLU CA . 18775 1 413 . 1 1 90 90 GLU CB C 13 29.484 0.021 . 1 . . . . 90 GLU CB . 18775 1 414 . 1 1 90 90 GLU N N 15 118.213 0.036 . 1 . . . . 90 GLU N . 18775 1 415 . 1 1 91 91 ILE H H 1 8.417 0.006 . 1 . . . . 91 ILE H . 18775 1 416 . 1 1 91 91 ILE C C 13 177.949 0.038 . 1 . . . . 91 ILE C . 18775 1 417 . 1 1 91 91 ILE CA C 13 61.381 0.076 . 1 . . . . 91 ILE CA . 18775 1 418 . 1 1 91 91 ILE CB C 13 38.863 0.059 . 1 . . . . 91 ILE CB . 18775 1 419 . 1 1 91 91 ILE N N 15 111.892 0.049 . 1 . . . . 91 ILE N . 18775 1 420 . 1 1 92 92 GLY H H 1 8.109 0.005 . 1 . . . . 92 GLY H . 18775 1 421 . 1 1 92 92 GLY C C 13 175.006 0.040 . 1 . . . . 92 GLY C . 18775 1 422 . 1 1 92 92 GLY CA C 13 45.585 0.040 . 1 . . . . 92 GLY CA . 18775 1 423 . 1 1 92 92 GLY N N 15 111.415 0.034 . 1 . . . . 92 GLY N . 18775 1 424 . 1 1 93 93 GLY H H 1 7.906 0.003 . 1 . . . . 93 GLY H . 18775 1 425 . 1 1 93 93 GLY C C 13 176.428 0.036 . 1 . . . . 93 GLY C . 18775 1 426 . 1 1 93 93 GLY CA C 13 44.726 0.012 . 1 . . . . 93 GLY CA . 18775 1 427 . 1 1 93 93 GLY N N 15 108.908 0.039 . 1 . . . . 93 GLY N . 18775 1 428 . 1 1 95 95 LYS C C 13 177.373 0.017 . 1 . . . . 95 LYS C . 18775 1 429 . 1 1 95 95 LYS CA C 13 58.200 0.034 . 1 . . . . 95 LYS CA . 18775 1 430 . 1 1 95 95 LYS CB C 13 31.625 0.050 . 1 . . . . 95 LYS CB . 18775 1 431 . 1 1 96 96 PHE H H 1 7.709 0.005 . 1 . . . . 96 PHE H . 18775 1 432 . 1 1 96 96 PHE C C 13 175.757 0.021 . 1 . . . . 96 PHE C . 18775 1 433 . 1 1 96 96 PHE CA C 13 57.474 0.011 . 1 . . . . 96 PHE CA . 18775 1 434 . 1 1 96 96 PHE CB C 13 39.989 0.013 . 1 . . . . 96 PHE CB . 18775 1 435 . 1 1 96 96 PHE N N 15 115.588 0.048 . 1 . . . . 96 PHE N . 18775 1 436 . 1 1 97 97 GLN H H 1 7.260 0.003 . 1 . . . . 97 GLN H . 18775 1 437 . 1 1 97 97 GLN C C 13 175.865 0.017 . 1 . . . . 97 GLN C . 18775 1 438 . 1 1 97 97 GLN CA C 13 58.525 0.054 . 1 . . . . 97 GLN CA . 18775 1 439 . 1 1 97 97 GLN CB C 13 28.693 0.058 . 1 . . . . 97 GLN CB . 18775 1 440 . 1 1 97 97 GLN N N 15 117.376 0.046 . 1 . . . . 97 GLN N . 18775 1 441 . 1 1 98 98 ASN H H 1 8.307 0.004 . 1 . . . . 98 ASN H . 18775 1 442 . 1 1 98 98 ASN C C 13 175.654 0.013 . 1 . . . . 98 ASN C . 18775 1 443 . 1 1 98 98 ASN CA C 13 52.000 0.027 . 1 . . . . 98 ASN CA . 18775 1 444 . 1 1 98 98 ASN CB C 13 38.594 0.033 . 1 . . . . 98 ASN CB . 18775 1 445 . 1 1 98 98 ASN N N 15 112.625 0.026 . 1 . . . . 98 ASN N . 18775 1 446 . 1 1 99 99 ILE H H 1 6.871 0.006 . 1 . . . . 99 ILE H . 18775 1 447 . 1 1 99 99 ILE C C 13 174.782 0.033 . 1 . . . . 99 ILE C . 18775 1 448 . 1 1 99 99 ILE CA C 13 60.615 0.049 . 1 . . . . 99 ILE CA . 18775 1 449 . 1 1 99 99 ILE CB C 13 36.604 0.091 . 1 . . . . 99 ILE CB . 18775 1 450 . 1 1 99 99 ILE N N 15 121.194 0.029 . 1 . . . . 99 ILE N . 18775 1 451 . 1 1 100 100 GLN H H 1 7.760 0.004 . 1 . . . . 100 GLN H . 18775 1 452 . 1 1 100 100 GLN C C 13 175.017 0.024 . 1 . . . . 100 GLN C . 18775 1 453 . 1 1 100 100 GLN CA C 13 54.072 0.030 . 1 . . . . 100 GLN CA . 18775 1 454 . 1 1 100 100 GLN CB C 13 32.214 0.003 . 1 . . . . 100 GLN CB . 18775 1 455 . 1 1 100 100 GLN N N 15 123.347 0.063 . 1 . . . . 100 GLN N . 18775 1 456 . 1 1 101 101 TYR H H 1 8.111 0.005 . 1 . . . . 101 TYR H . 18775 1 457 . 1 1 101 101 TYR C C 13 173.353 0.011 . 1 . . . . 101 TYR C . 18775 1 458 . 1 1 101 101 TYR CA C 13 54.265 0.053 . 1 . . . . 101 TYR CA . 18775 1 459 . 1 1 101 101 TYR CB C 13 41.244 0.079 . 1 . . . . 101 TYR CB . 18775 1 460 . 1 1 101 101 TYR N N 15 119.892 0.076 . 1 . . . . 101 TYR N . 18775 1 461 . 1 1 102 102 ALA H H 1 8.441 0.004 . 1 . . . . 102 ALA H . 18775 1 462 . 1 1 102 102 ALA C C 13 173.800 0.016 . 1 . . . . 102 ALA C . 18775 1 463 . 1 1 102 102 ALA CA C 13 50.666 0.038 . 1 . . . . 102 ALA CA . 18775 1 464 . 1 1 102 102 ALA CB C 13 24.433 0.008 . 1 . . . . 102 ALA CB . 18775 1 465 . 1 1 102 102 ALA N N 15 122.985 0.045 . 1 . . . . 102 ALA N . 18775 1 466 . 1 1 103 103 PHE H H 1 7.750 0.006 . 1 . . . . 103 PHE H . 18775 1 467 . 1 1 103 103 PHE C C 13 172.210 0.001 . 1 . . . . 103 PHE C . 18775 1 468 . 1 1 103 103 PHE CA C 13 56.071 0.013 . 1 . . . . 103 PHE CA . 18775 1 469 . 1 1 103 103 PHE CB C 13 41.603 0.047 . 1 . . . . 103 PHE CB . 18775 1 470 . 1 1 103 103 PHE N N 15 112.251 0.030 . 1 . . . . 103 PHE N . 18775 1 471 . 1 1 104 104 ASN H H 1 8.363 0.004 . 1 . . . . 104 ASN H . 18775 1 472 . 1 1 104 104 ASN C C 13 172.801 0.022 . 1 . . . . 104 ASN C . 18775 1 473 . 1 1 104 104 ASN CA C 13 51.284 0.024 . 1 . . . . 104 ASN CA . 18775 1 474 . 1 1 104 104 ASN CB C 13 38.908 0.030 . 1 . . . . 104 ASN CB . 18775 1 475 . 1 1 104 104 ASN N N 15 115.144 0.045 . 1 . . . . 104 ASN N . 18775 1 476 . 1 1 105 105 ARG H H 1 8.135 0.003 . 1 . . . . 105 ARG H . 18775 1 477 . 1 1 105 105 ARG C C 13 177.386 0.020 . 1 . . . . 105 ARG C . 18775 1 478 . 1 1 105 105 ARG CA C 13 54.588 0.059 . 1 . . . . 105 ARG CA . 18775 1 479 . 1 1 105 105 ARG CB C 13 30.983 0.023 . 1 . . . . 105 ARG CB . 18775 1 480 . 1 1 105 105 ARG N N 15 115.242 0.044 . 1 . . . . 105 ARG N . 18775 1 481 . 1 1 106 106 LYS H H 1 7.964 0.009 . 1 . . . . 106 LYS H . 18775 1 482 . 1 1 106 106 LYS C C 13 176.601 0.002 . 1 . . . . 106 LYS C . 18775 1 483 . 1 1 106 106 LYS CA C 13 56.570 0.025 . 1 . . . . 106 LYS CA . 18775 1 484 . 1 1 106 106 LYS CB C 13 31.702 0.176 . 1 . . . . 106 LYS CB . 18775 1 485 . 1 1 106 106 LYS N N 15 122.695 0.047 . 1 . . . . 106 LYS N . 18775 1 486 . 1 1 107 107 GLU H H 1 7.878 0.008 . 1 . . . . 107 GLU H . 18775 1 487 . 1 1 107 107 GLU C C 13 175.566 0.018 . 1 . . . . 107 GLU C . 18775 1 488 . 1 1 107 107 GLU CA C 13 56.034 0.040 . 1 . . . . 107 GLU CA . 18775 1 489 . 1 1 107 107 GLU CB C 13 29.884 0.022 . 1 . . . . 107 GLU CB . 18775 1 490 . 1 1 107 107 GLU N N 15 117.953 0.100 . 1 . . . . 107 GLU N . 18775 1 491 . 1 1 108 108 ALA H H 1 8.242 0.005 . 1 . . . . 108 ALA H . 18775 1 492 . 1 1 108 108 ALA C C 13 177.686 0.008 . 1 . . . . 108 ALA C . 18775 1 493 . 1 1 108 108 ALA CA C 13 52.155 0.014 . 1 . . . . 108 ALA CA . 18775 1 494 . 1 1 108 108 ALA CB C 13 19.203 0.097 . 1 . . . . 108 ALA CB . 18775 1 495 . 1 1 108 108 ALA N N 15 125.494 0.032 . 1 . . . . 108 ALA N . 18775 1 496 . 1 1 109 109 LYS H H 1 8.284 0.003 . 1 . . . . 109 LYS H . 18775 1 497 . 1 1 109 109 LYS C C 13 176.541 0.016 . 1 . . . . 109 LYS C . 18775 1 498 . 1 1 109 109 LYS CA C 13 56.437 0.020 . 1 . . . . 109 LYS CA . 18775 1 499 . 1 1 109 109 LYS CB C 13 32.475 0.022 . 1 . . . . 109 LYS CB . 18775 1 500 . 1 1 109 109 LYS N N 15 120.575 0.044 . 1 . . . . 109 LYS N . 18775 1 501 . 1 1 110 110 ASP H H 1 8.200 0.006 . 1 . . . . 110 ASP H . 18775 1 502 . 1 1 110 110 ASP C C 13 176.225 0.016 . 1 . . . . 110 ASP C . 18775 1 503 . 1 1 110 110 ASP CA C 13 54.154 0.003 . 1 . . . . 110 ASP CA . 18775 1 504 . 1 1 110 110 ASP CB C 13 40.847 0.005 . 1 . . . . 110 ASP CB . 18775 1 505 . 1 1 110 110 ASP N N 15 120.285 0.049 . 1 . . . . 110 ASP N . 18775 1 506 . 1 1 111 111 HIS C C 13 175.987 0.049 . 1 . . . . 111 HIS C . 18775 1 507 . 1 1 111 111 HIS CA C 13 56.374 0.050 . 1 . . . . 111 HIS CA . 18775 1 508 . 1 1 111 111 HIS CB C 13 29.657 0.050 . 1 . . . . 111 HIS CB . 18775 1 509 . 1 1 112 112 GLY H H 1 8.383 0.003 . 1 . . . . 112 GLY H . 18775 1 510 . 1 1 112 112 GLY C C 13 174.634 0.006 . 1 . . . . 112 GLY C . 18775 1 511 . 1 1 112 112 GLY CA C 13 45.225 0.036 . 1 . . . . 112 GLY CA . 18775 1 512 . 1 1 112 112 GLY N N 15 109.908 0.043 . 1 . . . . 112 GLY N . 18775 1 513 . 1 1 113 113 GLU H H 1 8.348 0.007 . 1 . . . . 113 GLU H . 18775 1 514 . 1 1 113 113 GLU C C 13 177.167 0.015 . 1 . . . . 113 GLU C . 18775 1 515 . 1 1 113 113 GLU CA C 13 56.341 0.044 . 1 . . . . 113 GLU CA . 18775 1 516 . 1 1 113 113 GLU CB C 13 29.683 0.052 . 1 . . . . 113 GLU CB . 18775 1 517 . 1 1 113 113 GLU N N 15 121.459 0.040 . 1 . . . . 113 GLU N . 18775 1 518 . 1 1 114 114 GLY H H 1 8.390 0.002 . 1 . . . . 114 GLY H . 18775 1 519 . 1 1 114 114 GLY C C 13 174.808 0.024 . 1 . . . . 114 GLY C . 18775 1 520 . 1 1 114 114 GLY CA C 13 44.967 0.055 . 1 . . . . 114 GLY CA . 18775 1 521 . 1 1 114 114 GLY N N 15 110.070 0.038 . 1 . . . . 114 GLY N . 18775 1 522 . 1 1 115 115 GLY H H 1 8.132 0.003 . 1 . . . . 115 GLY H . 18775 1 523 . 1 1 115 115 GLY C C 13 174.351 0.014 . 1 . . . . 115 GLY C . 18775 1 524 . 1 1 115 115 GLY CA C 13 44.978 0.031 . 1 . . . . 115 GLY CA . 18775 1 525 . 1 1 115 115 GLY N N 15 109.270 0.035 . 1 . . . . 115 GLY N . 18775 1 526 . 1 1 116 116 ILE H H 1 8.051 0.004 . 1 . . . . 116 ILE H . 18775 1 527 . 1 1 116 116 ILE C C 13 174.927 0.024 . 1 . . . . 116 ILE C . 18775 1 528 . 1 1 116 116 ILE CA C 13 61.743 0.020 . 1 . . . . 116 ILE CA . 18775 1 529 . 1 1 116 116 ILE CB C 13 38.526 0.024 . 1 . . . . 116 ILE CB . 18775 1 530 . 1 1 116 116 ILE N N 15 118.995 0.044 . 1 . . . . 116 ILE N . 18775 1 531 . 1 1 117 117 ILE H H 1 7.746 0.003 . 1 . . . . 117 ILE H . 18775 1 532 . 1 1 117 117 ILE C C 13 175.927 0.007 . 1 . . . . 117 ILE C . 18775 1 533 . 1 1 117 117 ILE CA C 13 58.169 0.054 . 1 . . . . 117 ILE CA . 18775 1 534 . 1 1 117 117 ILE CB C 13 35.881 0.023 . 1 . . . . 117 ILE CB . 18775 1 535 . 1 1 117 117 ILE N N 15 120.668 0.037 . 1 . . . . 117 ILE N . 18775 1 536 . 1 1 118 118 VAL H H 1 8.702 0.004 . 1 . . . . 118 VAL H . 18775 1 537 . 1 1 118 118 VAL C C 13 174.537 0.011 . 1 . . . . 118 VAL C . 18775 1 538 . 1 1 118 118 VAL CA C 13 61.149 0.050 . 1 . . . . 118 VAL CA . 18775 1 539 . 1 1 118 118 VAL CB C 13 30.781 0.039 . 1 . . . . 118 VAL CB . 18775 1 540 . 1 1 118 118 VAL N N 15 130.655 0.028 . 1 . . . . 118 VAL N . 18775 1 541 . 1 1 119 119 GLY H H 1 7.915 0.005 . 1 . . . . 119 GLY H . 18775 1 542 . 1 1 119 119 GLY C C 13 174.287 0.020 . 1 . . . . 119 GLY C . 18775 1 543 . 1 1 119 119 GLY CA C 13 44.099 0.023 . 1 . . . . 119 GLY CA . 18775 1 544 . 1 1 119 119 GLY N N 15 113.477 0.057 . 1 . . . . 119 GLY N . 18775 1 545 . 1 1 120 120 SER H H 1 7.640 0.004 . 1 . . . . 120 SER H . 18775 1 546 . 1 1 120 120 SER C C 13 172.866 0.008 . 1 . . . . 120 SER C . 18775 1 547 . 1 1 120 120 SER CA C 13 58.107 0.017 . 1 . . . . 120 SER CA . 18775 1 548 . 1 1 120 120 SER CB C 13 64.302 0.027 . 1 . . . . 120 SER CB . 18775 1 549 . 1 1 120 120 SER N N 15 116.759 0.037 . 1 . . . . 120 SER N . 18775 1 550 . 1 1 121 121 ALA H H 1 7.938 0.002 . 1 . . . . 121 ALA H . 18775 1 551 . 1 1 121 121 ALA C C 13 178.777 0.019 . 1 . . . . 121 ALA C . 18775 1 552 . 1 1 121 121 ALA CA C 13 52.109 0.012 . 1 . . . . 121 ALA CA . 18775 1 553 . 1 1 121 121 ALA CB C 13 18.382 0.022 . 1 . . . . 121 ALA CB . 18775 1 554 . 1 1 121 121 ALA N N 15 124.065 0.039 . 1 . . . . 121 ALA N . 18775 1 555 . 1 1 122 122 LEU H H 1 8.257 0.003 . 1 . . . . 122 LEU H . 18775 1 556 . 1 1 122 122 LEU C C 13 176.532 0.035 . 1 . . . . 122 LEU C . 18775 1 557 . 1 1 122 122 LEU CA C 13 54.442 0.032 . 1 . . . . 122 LEU CA . 18775 1 558 . 1 1 122 122 LEU CB C 13 40.912 0.021 . 1 . . . . 122 LEU CB . 18775 1 559 . 1 1 122 122 LEU N N 15 118.819 0.034 . 1 . . . . 122 LEU N . 18775 1 560 . 1 1 123 123 GLU H H 1 7.280 0.004 . 1 . . . . 123 GLU H . 18775 1 561 . 1 1 123 123 GLU C C 13 177.195 0.018 . 1 . . . . 123 GLU C . 18775 1 562 . 1 1 123 123 GLU CA C 13 57.392 0.025 . 1 . . . . 123 GLU CA . 18775 1 563 . 1 1 123 123 GLU CB C 13 28.504 0.032 . 1 . . . . 123 GLU CB . 18775 1 564 . 1 1 123 123 GLU N N 15 118.414 0.056 . 1 . . . . 123 GLU N . 18775 1 565 . 1 1 124 124 ASN H H 1 8.500 0.004 . 1 . . . . 124 ASN H . 18775 1 566 . 1 1 124 124 ASN C C 13 174.310 0.023 . 1 . . . . 124 ASN C . 18775 1 567 . 1 1 124 124 ASN CA C 13 54.920 0.011 . 1 . . . . 124 ASN CA . 18775 1 568 . 1 1 124 124 ASN CB C 13 37.293 0.017 . 1 . . . . 124 ASN CB . 18775 1 569 . 1 1 124 124 ASN N N 15 117.920 0.048 . 1 . . . . 124 ASN N . 18775 1 570 . 1 1 125 125 LYS H H 1 8.011 0.002 . 1 . . . . 125 LYS H . 18775 1 571 . 1 1 125 125 LYS C C 13 174.974 0.008 . 1 . . . . 125 LYS C . 18775 1 572 . 1 1 125 125 LYS CA C 13 54.192 0.019 . 1 . . . . 125 LYS CA . 18775 1 573 . 1 1 125 125 LYS CB C 13 34.023 0.047 . 1 . . . . 125 LYS CB . 18775 1 574 . 1 1 125 125 LYS N N 15 118.777 0.049 . 1 . . . . 125 LYS N . 18775 1 575 . 1 1 126 126 ARG H H 1 9.358 0.004 . 1 . . . . 126 ARG H . 18775 1 576 . 1 1 126 126 ARG C C 13 177.468 0.056 . 1 . . . . 126 ARG C . 18775 1 577 . 1 1 126 126 ARG CA C 13 55.111 0.018 . 1 . . . . 126 ARG CA . 18775 1 578 . 1 1 126 126 ARG CB C 13 30.540 0.028 . 1 . . . . 126 ARG CB . 18775 1 579 . 1 1 126 126 ARG N N 15 120.473 0.039 . 1 . . . . 126 ARG N . 18775 1 580 . 1 1 127 127 ILE H H 1 9.569 0.002 . 1 . . . . 127 ILE H . 18775 1 581 . 1 1 127 127 ILE C C 13 174.169 0.010 . 1 . . . . 127 ILE C . 18775 1 582 . 1 1 127 127 ILE CA C 13 59.185 0.013 . 1 . . . . 127 ILE CA . 18775 1 583 . 1 1 127 127 ILE CB C 13 39.252 0.012 . 1 . . . . 127 ILE CB . 18775 1 584 . 1 1 127 127 ILE N N 15 128.523 0.014 . 1 . . . . 127 ILE N . 18775 1 585 . 1 1 128 128 LEU H H 1 8.959 0.001 . 1 . . . . 128 LEU H . 18775 1 586 . 1 1 128 128 LEU C C 13 174.998 0.012 . 1 . . . . 128 LEU C . 18775 1 587 . 1 1 128 128 LEU CA C 13 52.276 0.016 . 1 . . . . 128 LEU CA . 18775 1 588 . 1 1 128 128 LEU CB C 13 44.209 0.037 . 1 . . . . 128 LEU CB . 18775 1 589 . 1 1 128 128 LEU N N 15 131.403 0.029 . 1 . . . . 128 LEU N . 18775 1 590 . 1 1 129 129 ILE H H 1 7.953 0.002 . 1 . . . . 129 ILE H . 18775 1 591 . 1 1 129 129 ILE C C 13 174.268 0.014 . 1 . . . . 129 ILE C . 18775 1 592 . 1 1 129 129 ILE CA C 13 61.314 0.008 . 1 . . . . 129 ILE CA . 18775 1 593 . 1 1 129 129 ILE CB C 13 38.966 0.014 . 1 . . . . 129 ILE CB . 18775 1 594 . 1 1 129 129 ILE N N 15 128.105 0.009 . 1 . . . . 129 ILE N . 18775 1 595 . 1 1 130 130 ILE H H 1 8.805 0.003 . 1 . . . . 130 ILE H . 18775 1 596 . 1 1 130 130 ILE C C 13 170.886 0.026 . 1 . . . . 130 ILE C . 18775 1 597 . 1 1 130 130 ILE CA C 13 57.560 0.066 . 1 . . . . 130 ILE CA . 18775 1 598 . 1 1 130 130 ILE CB C 13 41.286 0.050 . 1 . . . . 130 ILE CB . 18775 1 599 . 1 1 130 130 ILE N N 15 129.261 0.032 . 1 . . . . 130 ILE N . 18775 1 600 . 1 1 131 131 ASP H H 1 8.399 0.004 . 1 . . . . 131 ASP H . 18775 1 601 . 1 1 131 131 ASP C C 13 176.571 0.024 . 1 . . . . 131 ASP C . 18775 1 602 . 1 1 131 131 ASP CA C 13 52.047 0.038 . 1 . . . . 131 ASP CA . 18775 1 603 . 1 1 131 131 ASP CB C 13 44.230 0.029 . 1 . . . . 131 ASP CB . 18775 1 604 . 1 1 131 131 ASP N N 15 122.481 0.067 . 1 . . . . 131 ASP N . 18775 1 605 . 1 1 132 132 ASP H H 1 9.655 0.008 . 1 . . . . 132 ASP H . 18775 1 606 . 1 1 132 132 ASP C C 13 175.546 0.025 . 1 . . . . 132 ASP C . 18775 1 607 . 1 1 132 132 ASP CA C 13 56.045 0.025 . 1 . . . . 132 ASP CA . 18775 1 608 . 1 1 132 132 ASP CB C 13 41.836 0.017 . 1 . . . . 132 ASP CB . 18775 1 609 . 1 1 132 132 ASP N N 15 121.700 0.037 . 1 . . . . 132 ASP N . 18775 1 610 . 1 1 133 133 VAL H H 1 9.412 0.005 . 1 . . . . 133 VAL H . 18775 1 611 . 1 1 133 133 VAL C C 13 173.481 0.042 . 1 . . . . 133 VAL C . 18775 1 612 . 1 1 133 133 VAL CA C 13 59.945 0.023 . 1 . . . . 133 VAL CA . 18775 1 613 . 1 1 133 133 VAL CB C 13 37.541 0.056 . 1 . . . . 133 VAL CB . 18775 1 614 . 1 1 133 133 VAL N N 15 123.655 0.044 . 1 . . . . 133 VAL N . 18775 1 615 . 1 1 134 134 MET H H 1 7.343 0.006 . 1 . . . . 134 MET H . 18775 1 616 . 1 1 134 134 MET C C 13 175.202 0.033 . 1 . . . . 134 MET C . 18775 1 617 . 1 1 134 134 MET CA C 13 55.199 0.075 . 1 . . . . 134 MET CA . 18775 1 618 . 1 1 134 134 MET CB C 13 35.792 0.012 . 1 . . . . 134 MET CB . 18775 1 619 . 1 1 134 134 MET N N 15 123.201 0.054 . 1 . . . . 134 MET N . 18775 1 620 . 1 1 135 135 THR H H 1 11.035 0.004 . 1 . . . . 135 THR H . 18775 1 621 . 1 1 135 135 THR CA C 13 64.080 0.050 . 1 . . . . 135 THR CA . 18775 1 622 . 1 1 135 135 THR CB C 13 67.094 0.050 . 1 . . . . 135 THR CB . 18775 1 623 . 1 1 135 135 THR N N 15 133.056 0.059 . 1 . . . . 135 THR N . 18775 1 624 . 1 1 136 136 ALA C C 13 178.656 0.050 . 1 . . . . 136 ALA C . 18775 1 625 . 1 1 137 137 GLY H H 1 10.291 0.010 . 1 . . . . 137 GLY H . 18775 1 626 . 1 1 137 137 GLY C C 13 174.614 0.020 . 1 . . . . 137 GLY C . 18775 1 627 . 1 1 137 137 GLY CA C 13 45.565 0.099 . 1 . . . . 137 GLY CA . 18775 1 628 . 1 1 137 137 GLY N N 15 111.020 0.009 . 1 . . . . 137 GLY N . 18775 1 629 . 1 1 138 138 THR H H 1 7.852 0.005 . 1 . . . . 138 THR H . 18775 1 630 . 1 1 138 138 THR C C 13 177.270 0.011 . 1 . . . . 138 THR C . 18775 1 631 . 1 1 138 138 THR CA C 13 65.475 0.067 . 1 . . . . 138 THR CA . 18775 1 632 . 1 1 138 138 THR CB C 13 68.131 0.034 . 1 . . . . 138 THR CB . 18775 1 633 . 1 1 138 138 THR N N 15 118.791 0.040 . 1 . . . . 138 THR N . 18775 1 634 . 1 1 139 139 ALA H H 1 10.435 0.008 . 1 . . . . 139 ALA H . 18775 1 635 . 1 1 139 139 ALA C C 13 182.655 0.036 . 1 . . . . 139 ALA C . 18775 1 636 . 1 1 139 139 ALA CA C 13 55.180 0.053 . 1 . . . . 139 ALA CA . 18775 1 637 . 1 1 139 139 ALA CB C 13 17.799 0.050 . 1 . . . . 139 ALA CB . 18775 1 638 . 1 1 139 139 ALA N N 15 129.850 0.039 . 1 . . . . 139 ALA N . 18775 1 639 . 1 1 140 140 ILE H H 1 8.877 0.002 . 1 . . . . 140 ILE H . 18775 1 640 . 1 1 140 140 ILE C C 13 177.489 0.050 . 1 . . . . 140 ILE C . 18775 1 641 . 1 1 140 140 ILE CA C 13 62.491 0.037 . 1 . . . . 140 ILE CA . 18775 1 642 . 1 1 140 140 ILE CB C 13 36.283 0.073 . 1 . . . . 140 ILE CB . 18775 1 643 . 1 1 140 140 ILE N N 15 122.375 0.045 . 1 . . . . 140 ILE N . 18775 1 644 . 1 1 141 141 ASN H H 1 7.758 0.006 . 1 . . . . 141 ASN H . 18775 1 645 . 1 1 141 141 ASN C C 13 178.022 0.021 . 1 . . . . 141 ASN C . 18775 1 646 . 1 1 141 141 ASN CA C 13 56.873 0.022 . 1 . . . . 141 ASN CA . 18775 1 647 . 1 1 141 141 ASN CB C 13 38.489 0.014 . 1 . . . . 141 ASN CB . 18775 1 648 . 1 1 141 141 ASN N N 15 120.869 0.050 . 1 . . . . 141 ASN N . 18775 1 649 . 1 1 142 142 GLU H H 1 7.898 0.005 . 1 . . . . 142 GLU H . 18775 1 650 . 1 1 142 142 GLU C C 13 179.240 0.014 . 1 . . . . 142 GLU C . 18775 1 651 . 1 1 142 142 GLU CA C 13 59.197 0.006 . 1 . . . . 142 GLU CA . 18775 1 652 . 1 1 142 142 GLU CB C 13 29.119 0.014 . 1 . . . . 142 GLU CB . 18775 1 653 . 1 1 142 142 GLU N N 15 120.165 0.057 . 1 . . . . 142 GLU N . 18775 1 654 . 1 1 143 143 ALA H H 1 7.670 0.007 . 1 . . . . 143 ALA H . 18775 1 655 . 1 1 143 143 ALA C C 13 178.917 0.027 . 1 . . . . 143 ALA C . 18775 1 656 . 1 1 143 143 ALA CA C 13 54.918 0.028 . 1 . . . . 143 ALA CA . 18775 1 657 . 1 1 143 143 ALA CB C 13 17.589 0.044 . 1 . . . . 143 ALA CB . 18775 1 658 . 1 1 143 143 ALA N N 15 121.857 0.026 . 1 . . . . 143 ALA N . 18775 1 659 . 1 1 144 144 PHE H H 1 8.284 0.008 . 1 . . . . 144 PHE H . 18775 1 660 . 1 1 144 144 PHE C C 13 178.914 0.021 . 1 . . . . 144 PHE C . 18775 1 661 . 1 1 144 144 PHE CA C 13 61.807 0.038 . 1 . . . . 144 PHE CA . 18775 1 662 . 1 1 144 144 PHE CB C 13 38.412 0.036 . 1 . . . . 144 PHE CB . 18775 1 663 . 1 1 144 144 PHE N N 15 117.627 0.041 . 1 . . . . 144 PHE N . 18775 1 664 . 1 1 145 145 GLU H H 1 7.743 0.004 . 1 . . . . 145 GLU H . 18775 1 665 . 1 1 145 145 GLU C C 13 178.668 0.014 . 1 . . . . 145 GLU C . 18775 1 666 . 1 1 145 145 GLU CA C 13 59.293 0.050 . 1 . . . . 145 GLU CA . 18775 1 667 . 1 1 145 145 GLU CB C 13 28.921 0.043 . 1 . . . . 145 GLU CB . 18775 1 668 . 1 1 145 145 GLU N N 15 120.523 0.016 . 1 . . . . 145 GLU N . 18775 1 669 . 1 1 146 146 ILE H H 1 7.613 0.006 . 1 . . . . 146 ILE H . 18775 1 670 . 1 1 146 146 ILE C C 13 179.091 0.025 . 1 . . . . 146 ILE C . 18775 1 671 . 1 1 146 146 ILE CA C 13 64.757 0.036 . 1 . . . . 146 ILE CA . 18775 1 672 . 1 1 146 146 ILE CB C 13 37.764 0.014 . 1 . . . . 146 ILE CB . 18775 1 673 . 1 1 146 146 ILE N N 15 120.753 0.036 . 1 . . . . 146 ILE N . 18775 1 674 . 1 1 147 147 ILE H H 1 7.679 0.005 . 1 . . . . 147 ILE H . 18775 1 675 . 1 1 147 147 ILE C C 13 178.431 0.013 . 1 . . . . 147 ILE C . 18775 1 676 . 1 1 147 147 ILE CA C 13 63.634 0.014 . 1 . . . . 147 ILE CA . 18775 1 677 . 1 1 147 147 ILE CB C 13 35.998 0.196 . 1 . . . . 147 ILE CB . 18775 1 678 . 1 1 147 147 ILE N N 15 119.193 0.023 . 1 . . . . 147 ILE N . 18775 1 679 . 1 1 148 148 SER H H 1 8.340 0.004 . 1 . . . . 148 SER H . 18775 1 680 . 1 1 148 148 SER C C 13 179.573 0.006 . 1 . . . . 148 SER C . 18775 1 681 . 1 1 148 148 SER CA C 13 61.475 0.026 . 1 . . . . 148 SER CA . 18775 1 682 . 1 1 148 148 SER CB C 13 62.458 0.013 . 1 . . . . 148 SER CB . 18775 1 683 . 1 1 148 148 SER N N 15 116.845 0.024 . 1 . . . . 148 SER N . 18775 1 684 . 1 1 149 149 ASN H H 1 8.244 0.004 . 1 . . . . 149 ASN H . 18775 1 685 . 1 1 149 149 ASN C C 13 176.113 0.037 . 1 . . . . 149 ASN C . 18775 1 686 . 1 1 149 149 ASN CA C 13 55.603 0.034 . 1 . . . . 149 ASN CA . 18775 1 687 . 1 1 149 149 ASN CB C 13 37.892 0.065 . 1 . . . . 149 ASN CB . 18775 1 688 . 1 1 149 149 ASN N N 15 122.220 0.038 . 1 . . . . 149 ASN N . 18775 1 689 . 1 1 150 150 ALA H H 1 7.216 0.004 . 1 . . . . 150 ALA H . 18775 1 690 . 1 1 150 150 ALA C C 13 175.462 0.077 . 1 . . . . 150 ALA C . 18775 1 691 . 1 1 150 150 ALA CA C 13 51.425 0.024 . 1 . . . . 150 ALA CA . 18775 1 692 . 1 1 150 150 ALA CB C 13 18.675 0.013 . 1 . . . . 150 ALA CB . 18775 1 693 . 1 1 150 150 ALA N N 15 121.923 0.045 . 1 . . . . 150 ALA N . 18775 1 694 . 1 1 151 151 LYS H H 1 7.671 0.004 . 1 . . . . 151 LYS H . 18775 1 695 . 1 1 151 151 LYS C C 13 177.450 0.036 . 1 . . . . 151 LYS C . 18775 1 696 . 1 1 151 151 LYS CA C 13 57.154 0.029 . 1 . . . . 151 LYS CA . 18775 1 697 . 1 1 151 151 LYS CB C 13 27.881 0.100 . 1 . . . . 151 LYS CB . 18775 1 698 . 1 1 151 151 LYS N N 15 110.458 0.071 . 1 . . . . 151 LYS N . 18775 1 699 . 1 1 152 152 GLY H H 1 7.965 0.004 . 1 . . . . 152 GLY H . 18775 1 700 . 1 1 152 152 GLY C C 13 172.151 0.014 . 1 . . . . 152 GLY C . 18775 1 701 . 1 1 152 152 GLY CA C 13 44.610 0.042 . 1 . . . . 152 GLY CA . 18775 1 702 . 1 1 152 152 GLY N N 15 107.342 0.049 . 1 . . . . 152 GLY N . 18775 1 703 . 1 1 153 153 GLN H H 1 8.408 0.004 . 1 . . . . 153 GLN H . 18775 1 704 . 1 1 153 153 GLN C C 13 174.949 0.012 . 1 . . . . 153 GLN C . 18775 1 705 . 1 1 153 153 GLN CA C 13 53.418 0.011 . 1 . . . . 153 GLN CA . 18775 1 706 . 1 1 153 153 GLN CB C 13 28.911 0.025 . 1 . . . . 153 GLN CB . 18775 1 707 . 1 1 153 153 GLN N N 15 121.725 0.035 . 1 . . . . 153 GLN N . 18775 1 708 . 1 1 154 154 VAL H H 1 8.866 0.005 . 1 . . . . 154 VAL H . 18775 1 709 . 1 1 154 154 VAL C C 13 177.269 0.034 . 1 . . . . 154 VAL C . 18775 1 710 . 1 1 154 154 VAL CA C 13 63.494 0.030 . 1 . . . . 154 VAL CA . 18775 1 711 . 1 1 154 154 VAL CB C 13 30.644 0.065 . 1 . . . . 154 VAL CB . 18775 1 712 . 1 1 154 154 VAL N N 15 128.946 0.044 . 1 . . . . 154 VAL N . 18775 1 713 . 1 1 155 155 VAL H H 1 9.077 0.003 . 1 . . . . 155 VAL H . 18775 1 714 . 1 1 155 155 VAL C C 13 175.343 0.050 . 1 . . . . 155 VAL C . 18775 1 715 . 1 1 155 155 VAL CA C 13 60.116 0.031 . 1 . . . . 155 VAL CA . 18775 1 716 . 1 1 155 155 VAL CB C 13 32.157 0.050 . 1 . . . . 155 VAL CB . 18775 1 717 . 1 1 155 155 VAL N N 15 118.720 0.039 . 1 . . . . 155 VAL N . 18775 1 718 . 1 1 156 156 GLY H H 1 7.367 0.002 . 1 . . . . 156 GLY H . 18775 1 719 . 1 1 156 156 GLY C C 13 171.278 0.012 . 1 . . . . 156 GLY C . 18775 1 720 . 1 1 156 156 GLY CA C 13 45.389 0.044 . 1 . . . . 156 GLY CA . 18775 1 721 . 1 1 156 156 GLY N N 15 105.706 0.033 . 1 . . . . 156 GLY N . 18775 1 722 . 1 1 157 157 SER H H 1 8.022 0.005 . 1 . . . . 157 SER H . 18775 1 723 . 1 1 157 157 SER C C 13 171.308 0.009 . 1 . . . . 157 SER C . 18775 1 724 . 1 1 157 157 SER CA C 13 56.364 0.011 . 1 . . . . 157 SER CA . 18775 1 725 . 1 1 157 157 SER CB C 13 66.866 0.053 . 1 . . . . 157 SER CB . 18775 1 726 . 1 1 157 157 SER N N 15 114.796 0.022 . 1 . . . . 157 SER N . 18775 1 727 . 1 1 158 158 ILE H H 1 9.198 0.002 . 1 . . . . 158 ILE H . 18775 1 728 . 1 1 158 158 ILE C C 13 171.828 0.037 . 1 . . . . 158 ILE C . 18775 1 729 . 1 1 158 158 ILE CA C 13 57.814 0.031 . 1 . . . . 158 ILE CA . 18775 1 730 . 1 1 158 158 ILE CB C 13 40.301 0.035 . 1 . . . . 158 ILE CB . 18775 1 731 . 1 1 158 158 ILE N N 15 123.379 0.018 . 1 . . . . 158 ILE N . 18775 1 732 . 1 1 159 159 ILE H H 1 8.143 0.011 . 1 . . . . 159 ILE H . 18775 1 733 . 1 1 159 159 ILE C C 13 174.973 0.015 . 1 . . . . 159 ILE C . 18775 1 734 . 1 1 159 159 ILE CA C 13 57.141 0.043 . 1 . . . . 159 ILE CA . 18775 1 735 . 1 1 159 159 ILE CB C 13 38.931 0.050 . 1 . . . . 159 ILE CB . 18775 1 736 . 1 1 159 159 ILE N N 15 119.324 0.077 . 1 . . . . 159 ILE N . 18775 1 737 . 1 1 160 160 ALA H H 1 8.253 0.005 . 1 . . . . 160 ALA H . 18775 1 738 . 1 1 160 160 ALA C C 13 176.303 0.038 . 1 . . . . 160 ALA C . 18775 1 739 . 1 1 160 160 ALA CA C 13 54.289 0.012 . 1 . . . . 160 ALA CA . 18775 1 740 . 1 1 160 160 ALA CB C 13 18.174 0.016 . 1 . . . . 160 ALA CB . 18775 1 741 . 1 1 160 160 ALA N N 15 123.871 0.059 . 1 . . . . 160 ALA N . 18775 1 742 . 1 1 161 161 LEU H H 1 7.108 0.005 . 1 . . . . 161 LEU H . 18775 1 743 . 1 1 161 161 LEU C C 13 174.538 0.044 . 1 . . . . 161 LEU C . 18775 1 744 . 1 1 161 161 LEU CA C 13 52.257 0.010 . 1 . . . . 161 LEU CA . 18775 1 745 . 1 1 161 161 LEU CB C 13 44.081 0.023 . 1 . . . . 161 LEU CB . 18775 1 746 . 1 1 161 161 LEU N N 15 112.485 0.057 . 1 . . . . 161 LEU N . 18775 1 747 . 1 1 162 162 ASP H H 1 8.166 0.005 . 1 . . . . 162 ASP H . 18775 1 748 . 1 1 162 162 ASP C C 13 176.576 0.029 . 1 . . . . 162 ASP C . 18775 1 749 . 1 1 162 162 ASP CA C 13 52.185 0.038 . 1 . . . . 162 ASP CA . 18775 1 750 . 1 1 162 162 ASP CB C 13 40.922 0.077 . 1 . . . . 162 ASP CB . 18775 1 751 . 1 1 162 162 ASP N N 15 125.305 0.030 . 1 . . . . 162 ASP N . 18775 1 752 . 1 1 163 163 ARG H H 1 7.079 0.007 . 1 . . . . 163 ARG H . 18775 1 753 . 1 1 163 163 ARG C C 13 174.478 0.032 . 1 . . . . 163 ARG C . 18775 1 754 . 1 1 163 163 ARG CA C 13 59.656 0.029 . 1 . . . . 163 ARG CA . 18775 1 755 . 1 1 163 163 ARG CB C 13 28.893 0.031 . 1 . . . . 163 ARG CB . 18775 1 756 . 1 1 163 163 ARG N N 15 124.074 0.055 . 1 . . . . 163 ARG N . 18775 1 757 . 1 1 164 164 GLN H H 1 9.071 0.006 . 1 . . . . 164 GLN H . 18775 1 758 . 1 1 164 164 GLN C C 13 174.083 0.027 . 1 . . . . 164 GLN C . 18775 1 759 . 1 1 164 164 GLN CA C 13 57.601 0.018 . 1 . . . . 164 GLN CA . 18775 1 760 . 1 1 164 164 GLN CB C 13 27.494 0.007 . 1 . . . . 164 GLN CB . 18775 1 761 . 1 1 164 164 GLN N N 15 113.804 0.065 . 1 . . . . 164 GLN N . 18775 1 762 . 1 1 165 165 GLU H H 1 8.576 0.005 . 1 . . . . 165 GLU H . 18775 1 763 . 1 1 165 165 GLU C C 13 176.223 0.011 . 1 . . . . 165 GLU C . 18775 1 764 . 1 1 165 165 GLU CA C 13 53.868 0.026 . 1 . . . . 165 GLU CA . 18775 1 765 . 1 1 165 165 GLU CB C 13 32.382 0.050 . 1 . . . . 165 GLU CB . 18775 1 766 . 1 1 165 165 GLU N N 15 115.499 0.030 . 1 . . . . 165 GLU N . 18775 1 767 . 1 1 166 166 VAL H H 1 8.098 0.004 . 1 . . . . 166 VAL H . 18775 1 768 . 1 1 166 166 VAL C C 13 177.430 0.014 . 1 . . . . 166 VAL C . 18775 1 769 . 1 1 166 166 VAL CA C 13 60.075 0.012 . 1 . . . . 166 VAL CA . 18775 1 770 . 1 1 166 166 VAL CB C 13 32.365 0.002 . 1 . . . . 166 VAL CB . 18775 1 771 . 1 1 166 166 VAL N N 15 110.009 0.026 . 1 . . . . 166 VAL N . 18775 1 772 . 1 1 167 167 VAL H H 1 8.900 0.007 . 1 . . . . 167 VAL H . 18775 1 773 . 1 1 167 167 VAL C C 13 177.316 0.043 . 1 . . . . 167 VAL C . 18775 1 774 . 1 1 167 167 VAL CA C 13 64.974 0.015 . 1 . . . . 167 VAL CA . 18775 1 775 . 1 1 167 167 VAL CB C 13 31.667 0.075 . 1 . . . . 167 VAL CB . 18775 1 776 . 1 1 167 167 VAL N N 15 121.701 0.025 . 1 . . . . 167 VAL N . 18775 1 777 . 1 1 168 168 SER H H 1 7.240 0.003 . 1 . . . . 168 SER H . 18775 1 778 . 1 1 168 168 SER C C 13 175.785 0.050 . 1 . . . . 168 SER C . 18775 1 779 . 1 1 168 168 SER CA C 13 55.709 0.008 . 1 . . . . 168 SER CA . 18775 1 780 . 1 1 168 168 SER CB C 13 64.815 0.040 . 1 . . . . 168 SER CB . 18775 1 781 . 1 1 168 168 SER N N 15 109.080 0.022 . 1 . . . . 168 SER N . 18775 1 782 . 1 1 169 169 THR C C 13 174.874 0.009 . 1 . . . . 169 THR C . 18775 1 783 . 1 1 169 169 THR CA C 13 63.673 0.010 . 1 . . . . 169 THR CA . 18775 1 784 . 1 1 169 169 THR CB C 13 68.017 0.050 . 1 . . . . 169 THR CB . 18775 1 785 . 1 1 170 170 ASP H H 1 8.080 0.003 . 1 . . . . 170 ASP H . 18775 1 786 . 1 1 170 170 ASP C C 13 175.981 0.015 . 1 . . . . 170 ASP C . 18775 1 787 . 1 1 170 170 ASP CA C 13 54.170 0.017 . 1 . . . . 170 ASP CA . 18775 1 788 . 1 1 170 170 ASP CB C 13 40.826 0.029 . 1 . . . . 170 ASP CB . 18775 1 789 . 1 1 170 170 ASP N N 15 119.817 0.025 . 1 . . . . 170 ASP N . 18775 1 790 . 1 1 171 171 ASP H H 1 7.067 0.004 . 1 . . . . 171 ASP H . 18775 1 791 . 1 1 171 171 ASP C C 13 177.481 0.034 . 1 . . . . 171 ASP C . 18775 1 792 . 1 1 171 171 ASP CA C 13 54.047 0.021 . 1 . . . . 171 ASP CA . 18775 1 793 . 1 1 171 171 ASP CB C 13 41.344 0.015 . 1 . . . . 171 ASP CB . 18775 1 794 . 1 1 171 171 ASP N N 15 120.049 0.018 . 1 . . . . 171 ASP N . 18775 1 795 . 1 1 172 172 LYS H H 1 8.696 0.002 . 1 . . . . 172 LYS H . 18775 1 796 . 1 1 172 172 LYS C C 13 178.011 0.015 . 1 . . . . 172 LYS C . 18775 1 797 . 1 1 172 172 LYS CA C 13 57.357 0.030 . 1 . . . . 172 LYS CA . 18775 1 798 . 1 1 172 172 LYS CB C 13 31.635 0.042 . 1 . . . . 172 LYS CB . 18775 1 799 . 1 1 172 172 LYS N N 15 126.701 0.047 . 1 . . . . 172 LYS N . 18775 1 800 . 1 1 173 173 GLU H H 1 8.312 0.003 . 1 . . . . 173 GLU H . 18775 1 801 . 1 1 173 173 GLU C C 13 178.298 0.034 . 1 . . . . 173 GLU C . 18775 1 802 . 1 1 173 173 GLU CA C 13 57.456 0.016 . 1 . . . . 173 GLU CA . 18775 1 803 . 1 1 173 173 GLU CB C 13 29.458 0.031 . 1 . . . . 173 GLU CB . 18775 1 804 . 1 1 173 173 GLU N N 15 119.103 0.027 . 1 . . . . 173 GLU N . 18775 1 805 . 1 1 174 174 GLY H H 1 7.782 0.004 . 1 . . . . 174 GLY H . 18775 1 806 . 1 1 174 174 GLY C C 13 174.608 0.015 . 1 . . . . 174 GLY C . 18775 1 807 . 1 1 174 174 GLY CA C 13 46.398 0.048 . 1 . . . . 174 GLY CA . 18775 1 808 . 1 1 174 174 GLY N N 15 106.778 0.039 . 1 . . . . 174 GLY N . 18775 1 809 . 1 1 175 175 LEU H H 1 7.505 0.002 . 1 . . . . 175 LEU H . 18775 1 810 . 1 1 175 175 LEU C C 13 177.838 0.020 . 1 . . . . 175 LEU C . 18775 1 811 . 1 1 175 175 LEU CA C 13 54.136 0.025 . 1 . . . . 175 LEU CA . 18775 1 812 . 1 1 175 175 LEU CB C 13 41.831 0.012 . 1 . . . . 175 LEU CB . 18775 1 813 . 1 1 175 175 LEU N N 15 118.616 0.031 . 1 . . . . 175 LEU N . 18775 1 814 . 1 1 176 176 SER H H 1 8.831 0.005 . 1 . . . . 176 SER H . 18775 1 815 . 1 1 176 176 SER C C 13 176.434 0.037 . 1 . . . . 176 SER C . 18775 1 816 . 1 1 176 176 SER CA C 13 57.196 0.061 . 1 . . . . 176 SER CA . 18775 1 817 . 1 1 176 176 SER CB C 13 63.812 0.034 . 1 . . . . 176 SER CB . 18775 1 818 . 1 1 176 176 SER N N 15 117.001 0.041 . 1 . . . . 176 SER N . 18775 1 819 . 1 1 177 177 ALA H H 1 9.104 0.004 . 1 . . . . 177 ALA H . 18775 1 820 . 1 1 177 177 ALA C C 13 180.200 0.028 . 1 . . . . 177 ALA C . 18775 1 821 . 1 1 177 177 ALA CA C 13 56.260 0.012 . 1 . . . . 177 ALA CA . 18775 1 822 . 1 1 177 177 ALA CB C 13 18.145 0.044 . 1 . . . . 177 ALA CB . 18775 1 823 . 1 1 177 177 ALA N N 15 129.226 0.059 . 1 . . . . 177 ALA N . 18775 1 824 . 1 1 178 178 THR H H 1 10.081 0.006 . 1 . . . . 178 THR H . 18775 1 825 . 1 1 178 178 THR C C 13 178.097 0.005 . 1 . . . . 178 THR C . 18775 1 826 . 1 1 178 178 THR CA C 13 65.748 0.073 . 1 . . . . 178 THR CA . 18775 1 827 . 1 1 178 178 THR CB C 13 68.134 0.013 . 1 . . . . 178 THR CB . 18775 1 828 . 1 1 178 178 THR N N 15 113.531 0.050 . 1 . . . . 178 THR N . 18775 1 829 . 1 1 179 179 GLN H H 1 7.745 0.003 . 1 . . . . 179 GLN H . 18775 1 830 . 1 1 179 179 GLN C C 13 179.305 0.092 . 1 . . . . 179 GLN C . 18775 1 831 . 1 1 179 179 GLN CA C 13 58.470 0.010 . 1 . . . . 179 GLN CA . 18775 1 832 . 1 1 179 179 GLN CB C 13 28.750 0.076 . 1 . . . . 179 GLN CB . 18775 1 833 . 1 1 179 179 GLN N N 15 122.541 0.074 . 1 . . . . 179 GLN N . 18775 1 834 . 1 1 180 180 THR C C 13 176.685 0.003 . 1 . . . . 180 THR C . 18775 1 835 . 1 1 180 180 THR CA C 13 67.230 0.006 . 1 . . . . 180 THR CA . 18775 1 836 . 1 1 181 181 VAL H H 1 8.370 0.005 . 1 . . . . 181 VAL H . 18775 1 837 . 1 1 181 181 VAL C C 13 177.638 0.016 . 1 . . . . 181 VAL C . 18775 1 838 . 1 1 181 181 VAL CA C 13 66.563 0.017 . 1 . . . . 181 VAL CA . 18775 1 839 . 1 1 181 181 VAL CB C 13 31.270 0.024 . 1 . . . . 181 VAL CB . 18775 1 840 . 1 1 181 181 VAL N N 15 124.042 0.037 . 1 . . . . 181 VAL N . 18775 1 841 . 1 1 182 182 SER H H 1 7.932 0.004 . 1 . . . . 182 SER H . 18775 1 842 . 1 1 182 182 SER C C 13 178.262 0.012 . 1 . . . . 182 SER C . 18775 1 843 . 1 1 182 182 SER CA C 13 60.970 0.030 . 1 . . . . 182 SER CA . 18775 1 844 . 1 1 182 182 SER CB C 13 63.677 0.012 . 1 . . . . 182 SER CB . 18775 1 845 . 1 1 182 182 SER N N 15 114.528 0.027 . 1 . . . . 182 SER N . 18775 1 846 . 1 1 183 183 LYS H H 1 8.015 0.004 . 1 . . . . 183 LYS H . 18775 1 847 . 1 1 183 183 LYS C C 13 178.586 0.016 . 1 . . . . 183 LYS C . 18775 1 848 . 1 1 183 183 LYS CA C 13 58.481 0.041 . 1 . . . . 183 LYS CA . 18775 1 849 . 1 1 183 183 LYS CB C 13 32.146 0.044 . 1 . . . . 183 LYS CB . 18775 1 850 . 1 1 183 183 LYS N N 15 120.488 0.043 . 1 . . . . 183 LYS N . 18775 1 851 . 1 1 184 184 LYS H H 1 8.245 0.006 . 1 . . . . 184 LYS H . 18775 1 852 . 1 1 184 184 LYS C C 13 178.440 0.014 . 1 . . . . 184 LYS C . 18775 1 853 . 1 1 184 184 LYS CA C 13 58.858 0.033 . 1 . . . . 184 LYS CA . 18775 1 854 . 1 1 184 184 LYS CB C 13 32.238 0.052 . 1 . . . . 184 LYS CB . 18775 1 855 . 1 1 184 184 LYS N N 15 120.306 0.029 . 1 . . . . 184 LYS N . 18775 1 856 . 1 1 185 185 TYR H H 1 7.770 0.003 . 1 . . . . 185 TYR H . 18775 1 857 . 1 1 185 185 TYR C C 13 176.464 0.023 . 1 . . . . 185 TYR C . 18775 1 858 . 1 1 185 185 TYR CA C 13 57.303 0.032 . 1 . . . . 185 TYR CA . 18775 1 859 . 1 1 185 185 TYR CB C 13 39.411 0.003 . 1 . . . . 185 TYR CB . 18775 1 860 . 1 1 185 185 TYR N N 15 113.244 0.041 . 1 . . . . 185 TYR N . 18775 1 861 . 1 1 186 186 GLY H H 1 7.949 0.003 . 1 . . . . 186 GLY H . 18775 1 862 . 1 1 186 186 GLY C C 13 174.960 0.016 . 1 . . . . 186 GLY C . 18775 1 863 . 1 1 186 186 GLY CA C 13 46.866 0.083 . 1 . . . . 186 GLY CA . 18775 1 864 . 1 1 186 186 GLY N N 15 112.037 0.045 . 1 . . . . 186 GLY N . 18775 1 865 . 1 1 187 187 ILE H H 1 7.186 0.006 . 1 . . . . 187 ILE H . 18775 1 866 . 1 1 187 187 ILE C C 13 173.086 0.008 . 1 . . . . 187 ILE C . 18775 1 867 . 1 1 187 187 ILE CA C 13 56.688 0.004 . 1 . . . . 187 ILE CA . 18775 1 868 . 1 1 187 187 ILE CB C 13 39.875 0.030 . 1 . . . . 187 ILE CB . 18775 1 869 . 1 1 187 187 ILE N N 15 110.756 0.051 . 1 . . . . 187 ILE N . 18775 1 870 . 1 1 188 188 PRO C C 13 176.088 0.011 . 1 . . . . 188 PRO C . 18775 1 871 . 1 1 188 188 PRO CA C 13 62.130 0.012 . 1 . . . . 188 PRO CA . 18775 1 872 . 1 1 188 188 PRO CB C 13 31.770 0.050 . 1 . . . . 188 PRO CB . 18775 1 873 . 1 1 189 189 VAL H H 1 8.070 0.002 . 1 . . . . 189 VAL H . 18775 1 874 . 1 1 189 189 VAL C C 13 175.519 0.004 . 1 . . . . 189 VAL C . 18775 1 875 . 1 1 189 189 VAL CA C 13 61.075 0.037 . 1 . . . . 189 VAL CA . 18775 1 876 . 1 1 189 189 VAL CB C 13 31.762 0.020 . 1 . . . . 189 VAL CB . 18775 1 877 . 1 1 189 189 VAL N N 15 122.104 0.026 . 1 . . . . 189 VAL N . 18775 1 878 . 1 1 190 190 LEU H H 1 9.076 0.004 . 1 . . . . 190 LEU H . 18775 1 879 . 1 1 190 190 LEU C C 13 175.456 0.019 . 1 . . . . 190 LEU C . 18775 1 880 . 1 1 190 190 LEU CA C 13 53.043 0.015 . 1 . . . . 190 LEU CA . 18775 1 881 . 1 1 190 190 LEU CB C 13 43.232 0.022 . 1 . . . . 190 LEU CB . 18775 1 882 . 1 1 190 190 LEU N N 15 129.182 0.024 . 1 . . . . 190 LEU N . 18775 1 883 . 1 1 191 191 SER H H 1 8.219 0.004 . 1 . . . . 191 SER H . 18775 1 884 . 1 1 191 191 SER C C 13 174.939 0.014 . 1 . . . . 191 SER C . 18775 1 885 . 1 1 191 191 SER CA C 13 55.119 0.024 . 1 . . . . 191 SER CA . 18775 1 886 . 1 1 191 191 SER CB C 13 65.629 0.066 . 1 . . . . 191 SER CB . 18775 1 887 . 1 1 191 191 SER N N 15 111.891 0.038 . 1 . . . . 191 SER N . 18775 1 888 . 1 1 192 192 ILE H H 1 7.727 0.006 . 1 . . . . 192 ILE H . 18775 1 889 . 1 1 192 192 ILE C C 13 176.207 0.026 . 1 . . . . 192 ILE C . 18775 1 890 . 1 1 192 192 ILE CA C 13 66.159 0.020 . 1 . . . . 192 ILE CA . 18775 1 891 . 1 1 192 192 ILE CB C 13 36.288 0.017 . 1 . . . . 192 ILE CB . 18775 1 892 . 1 1 192 192 ILE N N 15 122.575 0.040 . 1 . . . . 192 ILE N . 18775 1 893 . 1 1 193 193 VAL H H 1 7.700 0.002 . 1 . . . . 193 VAL H . 18775 1 894 . 1 1 193 193 VAL C C 13 174.530 0.011 . 1 . . . . 193 VAL C . 18775 1 895 . 1 1 193 193 VAL CA C 13 58.940 0.036 . 1 . . . . 193 VAL CA . 18775 1 896 . 1 1 193 193 VAL CB C 13 37.393 0.006 . 1 . . . . 193 VAL CB . 18775 1 897 . 1 1 193 193 VAL N N 15 107.158 0.012 . 1 . . . . 193 VAL N . 18775 1 898 . 1 1 194 194 SER H H 1 10.489 0.003 . 1 . . . . 194 SER H . 18775 1 899 . 1 1 194 194 SER C C 13 175.513 0.014 . 1 . . . . 194 SER C . 18775 1 900 . 1 1 194 194 SER CA C 13 56.183 0.027 . 1 . . . . 194 SER CA . 18775 1 901 . 1 1 194 194 SER CB C 13 66.292 0.096 . 1 . . . . 194 SER CB . 18775 1 902 . 1 1 194 194 SER N N 15 118.655 0.046 . 1 . . . . 194 SER N . 18775 1 903 . 1 1 195 195 LEU H H 1 7.660 0.005 . 1 . . . . 195 LEU H . 18775 1 904 . 1 1 195 195 LEU C C 13 179.249 0.026 . 1 . . . . 195 LEU C . 18775 1 905 . 1 1 195 195 LEU CA C 13 58.266 0.028 . 1 . . . . 195 LEU CA . 18775 1 906 . 1 1 195 195 LEU CB C 13 39.569 0.030 . 1 . . . . 195 LEU CB . 18775 1 907 . 1 1 195 195 LEU N N 15 124.987 0.032 . 1 . . . . 195 LEU N . 18775 1 908 . 1 1 196 196 ILE H H 1 8.446 0.005 . 1 . . . . 196 ILE H . 18775 1 909 . 1 1 196 196 ILE C C 13 177.954 0.026 . 1 . . . . 196 ILE C . 18775 1 910 . 1 1 196 196 ILE CA C 13 62.290 0.023 . 1 . . . . 196 ILE CA . 18775 1 911 . 1 1 196 196 ILE CB C 13 36.674 0.005 . 1 . . . . 196 ILE CB . 18775 1 912 . 1 1 196 196 ILE N N 15 116.686 0.069 . 1 . . . . 196 ILE N . 18775 1 913 . 1 1 197 197 HIS H H 1 7.424 0.004 . 1 . . . . 197 HIS H . 18775 1 914 . 1 1 197 197 HIS C C 13 177.578 0.005 . 1 . . . . 197 HIS C . 18775 1 915 . 1 1 197 197 HIS CA C 13 61.351 0.040 . 1 . . . . 197 HIS CA . 18775 1 916 . 1 1 197 197 HIS CB C 13 30.828 0.097 . 1 . . . . 197 HIS CB . 18775 1 917 . 1 1 197 197 HIS N N 15 123.528 0.032 . 1 . . . . 197 HIS N . 18775 1 918 . 1 1 198 198 ILE H H 1 7.420 0.004 . 1 . . . . 198 ILE H . 18775 1 919 . 1 1 198 198 ILE C C 13 177.205 0.033 . 1 . . . . 198 ILE C . 18775 1 920 . 1 1 198 198 ILE CA C 13 66.055 0.045 . 1 . . . . 198 ILE CA . 18775 1 921 . 1 1 198 198 ILE CB C 13 36.901 0.014 . 1 . . . . 198 ILE CB . 18775 1 922 . 1 1 198 198 ILE N N 15 118.796 0.043 . 1 . . . . 198 ILE N . 18775 1 923 . 1 1 199 199 ILE H H 1 7.995 0.005 . 1 . . . . 199 ILE H . 18775 1 924 . 1 1 199 199 ILE C C 13 177.631 0.016 . 1 . . . . 199 ILE C . 18775 1 925 . 1 1 199 199 ILE CA C 13 63.926 0.028 . 1 . . . . 199 ILE CA . 18775 1 926 . 1 1 199 199 ILE CB C 13 36.935 0.001 . 1 . . . . 199 ILE CB . 18775 1 927 . 1 1 199 199 ILE N N 15 115.844 0.033 . 1 . . . . 199 ILE N . 18775 1 928 . 1 1 200 200 THR H H 1 7.560 0.005 . 1 . . . . 200 THR H . 18775 1 929 . 1 1 200 200 THR C C 13 176.555 0.012 . 1 . . . . 200 THR C . 18775 1 930 . 1 1 200 200 THR CA C 13 65.860 0.025 . 1 . . . . 200 THR CA . 18775 1 931 . 1 1 200 200 THR CB C 13 69.086 0.119 . 1 . . . . 200 THR CB . 18775 1 932 . 1 1 200 200 THR N N 15 114.213 0.064 . 1 . . . . 200 THR N . 18775 1 933 . 1 1 201 201 TYR H H 1 8.403 0.003 . 1 . . . . 201 TYR H . 18775 1 934 . 1 1 201 201 TYR C C 13 177.188 0.022 . 1 . . . . 201 TYR C . 18775 1 935 . 1 1 201 201 TYR CA C 13 60.777 0.012 . 1 . . . . 201 TYR CA . 18775 1 936 . 1 1 201 201 TYR CB C 13 39.605 0.011 . 1 . . . . 201 TYR CB . 18775 1 937 . 1 1 201 201 TYR N N 15 122.462 0.048 . 1 . . . . 201 TYR N . 18775 1 938 . 1 1 202 202 LEU H H 1 7.884 0.005 . 1 . . . . 202 LEU H . 18775 1 939 . 1 1 202 202 LEU C C 13 176.649 0.018 . 1 . . . . 202 LEU C . 18775 1 940 . 1 1 202 202 LEU CA C 13 53.896 0.067 . 1 . . . . 202 LEU CA . 18775 1 941 . 1 1 202 202 LEU CB C 13 39.977 0.012 . 1 . . . . 202 LEU CB . 18775 1 942 . 1 1 202 202 LEU N N 15 113.887 0.053 . 1 . . . . 202 LEU N . 18775 1 943 . 1 1 203 203 GLU H H 1 6.975 0.008 . 1 . . . . 203 GLU H . 18775 1 944 . 1 1 203 203 GLU C C 13 177.468 0.030 . 1 . . . . 203 GLU C . 18775 1 945 . 1 1 203 203 GLU CA C 13 58.950 0.008 . 1 . . . . 203 GLU CA . 18775 1 946 . 1 1 203 203 GLU CB C 13 28.517 0.053 . 1 . . . . 203 GLU CB . 18775 1 947 . 1 1 203 203 GLU N N 15 122.273 0.053 . 1 . . . . 203 GLU N . 18775 1 948 . 1 1 204 204 GLY C C 13 174.832 0.029 . 1 . . . . 204 GLY C . 18775 1 949 . 1 1 204 204 GLY CA C 13 45.279 0.049 . 1 . . . . 204 GLY CA . 18775 1 950 . 1 1 205 205 ARG H H 1 8.246 0.007 . 1 . . . . 205 ARG H . 18775 1 951 . 1 1 205 205 ARG C C 13 176.244 0.017 . 1 . . . . 205 ARG C . 18775 1 952 . 1 1 205 205 ARG CA C 13 56.046 0.034 . 1 . . . . 205 ARG CA . 18775 1 953 . 1 1 205 205 ARG CB C 13 31.457 0.070 . 1 . . . . 205 ARG CB . 18775 1 954 . 1 1 205 205 ARG N N 15 119.847 0.034 . 1 . . . . 205 ARG N . 18775 1 955 . 1 1 206 206 ILE H H 1 7.152 0.003 . 1 . . . . 206 ILE H . 18775 1 956 . 1 1 206 206 ILE C C 13 176.300 0.018 . 1 . . . . 206 ILE C . 18775 1 957 . 1 1 206 206 ILE CA C 13 60.258 0.021 . 1 . . . . 206 ILE CA . 18775 1 958 . 1 1 206 206 ILE CB C 13 38.950 0.024 . 1 . . . . 206 ILE CB . 18775 1 959 . 1 1 206 206 ILE N N 15 117.527 0.049 . 1 . . . . 206 ILE N . 18775 1 960 . 1 1 207 207 THR H H 1 8.840 0.004 . 1 . . . . 207 THR H . 18775 1 961 . 1 1 207 207 THR C C 13 175.218 0.012 . 1 . . . . 207 THR C . 18775 1 962 . 1 1 207 207 THR CA C 13 61.196 0.019 . 1 . . . . 207 THR CA . 18775 1 963 . 1 1 207 207 THR CB C 13 70.767 0.029 . 1 . . . . 207 THR CB . 18775 1 964 . 1 1 207 207 THR N N 15 118.119 0.058 . 1 . . . . 207 THR N . 18775 1 965 . 1 1 208 208 ALA H H 1 8.797 0.003 . 1 . . . . 208 ALA H . 18775 1 966 . 1 1 208 208 ALA C C 13 181.012 0.039 . 1 . . . . 208 ALA C . 18775 1 967 . 1 1 208 208 ALA CA C 13 55.038 0.027 . 1 . . . . 208 ALA CA . 18775 1 968 . 1 1 208 208 ALA CB C 13 17.401 0.042 . 1 . . . . 208 ALA CB . 18775 1 969 . 1 1 208 208 ALA N N 15 123.511 0.043 . 1 . . . . 208 ALA N . 18775 1 970 . 1 1 209 209 GLU H H 1 8.453 0.003 . 1 . . . . 209 GLU H . 18775 1 971 . 1 1 209 209 GLU C C 13 179.236 0.021 . 1 . . . . 209 GLU C . 18775 1 972 . 1 1 209 209 GLU CA C 13 59.303 0.062 . 1 . . . . 209 GLU CA . 18775 1 973 . 1 1 209 209 GLU CB C 13 28.850 0.019 . 1 . . . . 209 GLU CB . 18775 1 974 . 1 1 209 209 GLU N N 15 119.158 0.020 . 1 . . . . 209 GLU N . 18775 1 975 . 1 1 210 210 GLU H H 1 7.674 0.003 . 1 . . . . 210 GLU H . 18775 1 976 . 1 1 210 210 GLU C C 13 179.312 0.044 . 1 . . . . 210 GLU C . 18775 1 977 . 1 1 210 210 GLU CA C 13 59.093 0.045 . 1 . . . . 210 GLU CA . 18775 1 978 . 1 1 210 210 GLU CB C 13 28.871 0.055 . 1 . . . . 210 GLU CB . 18775 1 979 . 1 1 210 210 GLU N N 15 121.773 0.030 . 1 . . . . 210 GLU N . 18775 1 980 . 1 1 211 211 LYS H H 1 8.524 0.003 . 1 . . . . 211 LYS H . 18775 1 981 . 1 1 211 211 LYS C C 13 178.798 0.060 . 1 . . . . 211 LYS C . 18775 1 982 . 1 1 211 211 LYS CA C 13 59.899 0.027 . 1 . . . . 211 LYS CA . 18775 1 983 . 1 1 211 211 LYS CB C 13 31.734 0.049 . 1 . . . . 211 LYS CB . 18775 1 984 . 1 1 211 211 LYS N N 15 119.930 0.060 . 1 . . . . 211 LYS N . 18775 1 985 . 1 1 212 212 SER H H 1 8.108 0.004 . 1 . . . . 212 SER H . 18775 1 986 . 1 1 212 212 SER C C 13 177.538 0.020 . 1 . . . . 212 SER C . 18775 1 987 . 1 1 212 212 SER CA C 13 61.266 0.019 . 1 . . . . 212 SER CA . 18775 1 988 . 1 1 212 212 SER CB C 13 62.661 0.050 . 1 . . . . 212 SER CB . 18775 1 989 . 1 1 212 212 SER N N 15 114.667 0.039 . 1 . . . . 212 SER N . 18775 1 990 . 1 1 213 213 LYS H H 1 7.963 0.002 . 1 . . . . 213 LYS H . 18775 1 991 . 1 1 213 213 LYS C C 13 181.118 0.071 . 1 . . . . 213 LYS C . 18775 1 992 . 1 1 213 213 LYS CA C 13 59.409 0.018 . 1 . . . . 213 LYS CA . 18775 1 993 . 1 1 213 213 LYS CB C 13 32.182 0.026 . 1 . . . . 213 LYS CB . 18775 1 994 . 1 1 213 213 LYS N N 15 121.444 0.020 . 1 . . . . 213 LYS N . 18775 1 995 . 1 1 214 214 ILE H H 1 8.167 0.002 . 1 . . . . 214 ILE H . 18775 1 996 . 1 1 214 214 ILE C C 13 177.247 0.005 . 1 . . . . 214 ILE C . 18775 1 997 . 1 1 214 214 ILE CA C 13 65.956 0.058 . 1 . . . . 214 ILE CA . 18775 1 998 . 1 1 214 214 ILE CB C 13 37.431 0.047 . 1 . . . . 214 ILE CB . 18775 1 999 . 1 1 214 214 ILE N N 15 122.456 0.060 . 1 . . . . 214 ILE N . 18775 1 1000 . 1 1 215 215 GLU H H 1 8.551 0.003 . 1 . . . . 215 GLU H . 18775 1 1001 . 1 1 215 215 GLU C C 13 179.914 0.022 . 1 . . . . 215 GLU C . 18775 1 1002 . 1 1 215 215 GLU CA C 13 60.066 0.037 . 1 . . . . 215 GLU CA . 18775 1 1003 . 1 1 215 215 GLU CB C 13 28.920 0.006 . 1 . . . . 215 GLU CB . 18775 1 1004 . 1 1 215 215 GLU N N 15 120.772 0.062 . 1 . . . . 215 GLU N . 18775 1 1005 . 1 1 216 216 GLN H H 1 8.398 0.003 . 1 . . . . 216 GLN H . 18775 1 1006 . 1 1 216 216 GLN C C 13 178.878 0.016 . 1 . . . . 216 GLN C . 18775 1 1007 . 1 1 216 216 GLN CA C 13 58.695 0.053 . 1 . . . . 216 GLN CA . 18775 1 1008 . 1 1 216 216 GLN CB C 13 28.393 0.096 . 1 . . . . 216 GLN CB . 18775 1 1009 . 1 1 216 216 GLN N N 15 118.835 0.038 . 1 . . . . 216 GLN N . 18775 1 1010 . 1 1 217 217 TYR H H 1 8.036 0.005 . 1 . . . . 217 TYR H . 18775 1 1011 . 1 1 217 217 TYR C C 13 178.875 0.014 . 1 . . . . 217 TYR C . 18775 1 1012 . 1 1 217 217 TYR CA C 13 62.071 0.045 . 1 . . . . 217 TYR CA . 18775 1 1013 . 1 1 217 217 TYR CB C 13 39.041 0.051 . 1 . . . . 217 TYR CB . 18775 1 1014 . 1 1 217 217 TYR N N 15 123.206 0.037 . 1 . . . . 217 TYR N . 18775 1 1015 . 1 1 218 218 LEU H H 1 8.846 0.004 . 1 . . . . 218 LEU H . 18775 1 1016 . 1 1 218 218 LEU C C 13 180.315 0.012 . 1 . . . . 218 LEU C . 18775 1 1017 . 1 1 218 218 LEU CA C 13 56.253 0.045 . 1 . . . . 218 LEU CA . 18775 1 1018 . 1 1 218 218 LEU CB C 13 40.850 0.001 . 1 . . . . 218 LEU CB . 18775 1 1019 . 1 1 218 218 LEU N N 15 119.963 0.061 . 1 . . . . 218 LEU N . 18775 1 1020 . 1 1 219 219 GLN H H 1 7.982 0.003 . 1 . . . . 219 GLN H . 18775 1 1021 . 1 1 219 219 GLN C C 13 177.417 0.028 . 1 . . . . 219 GLN C . 18775 1 1022 . 1 1 219 219 GLN CA C 13 58.587 0.039 . 1 . . . . 219 GLN CA . 18775 1 1023 . 1 1 219 219 GLN CB C 13 27.594 0.066 . 1 . . . . 219 GLN CB . 18775 1 1024 . 1 1 219 219 GLN N N 15 120.993 0.037 . 1 . . . . 219 GLN N . 18775 1 1025 . 1 1 220 220 THR H H 1 7.079 0.005 . 1 . . . . 220 THR H . 18775 1 1026 . 1 1 220 220 THR C C 13 175.321 0.009 . 1 . . . . 220 THR C . 18775 1 1027 . 1 1 220 220 THR CA C 13 64.857 0.026 . 1 . . . . 220 THR CA . 18775 1 1028 . 1 1 220 220 THR CB C 13 69.063 0.021 . 1 . . . . 220 THR CB . 18775 1 1029 . 1 1 220 220 THR N N 15 113.808 0.048 . 1 . . . . 220 THR N . 18775 1 1030 . 1 1 221 221 TYR H H 1 7.815 0.003 . 1 . . . . 221 TYR H . 18775 1 1031 . 1 1 221 221 TYR C C 13 175.965 0.002 . 1 . . . . 221 TYR C . 18775 1 1032 . 1 1 221 221 TYR CA C 13 58.983 0.026 . 1 . . . . 221 TYR CA . 18775 1 1033 . 1 1 221 221 TYR CB C 13 40.513 0.054 . 1 . . . . 221 TYR CB . 18775 1 1034 . 1 1 221 221 TYR N N 15 115.934 0.031 . 1 . . . . 221 TYR N . 18775 1 1035 . 1 1 222 222 GLY H H 1 8.805 0.004 . 1 . . . . 222 GLY H . 18775 1 1036 . 1 1 222 222 GLY C C 13 173.846 0.027 . 1 . . . . 222 GLY C . 18775 1 1037 . 1 1 222 222 GLY CA C 13 45.700 0.039 . 1 . . . . 222 GLY CA . 18775 1 1038 . 1 1 222 222 GLY N N 15 108.976 0.049 . 1 . . . . 222 GLY N . 18775 1 1039 . 1 1 223 223 ALA H H 1 8.173 0.005 . 1 . . . . 223 ALA H . 18775 1 1040 . 1 1 223 223 ALA C C 13 177.821 0.011 . 1 . . . . 223 ALA C . 18775 1 1041 . 1 1 223 223 ALA CA C 13 51.784 0.017 . 1 . . . . 223 ALA CA . 18775 1 1042 . 1 1 223 223 ALA CB C 13 18.698 0.011 . 1 . . . . 223 ALA CB . 18775 1 1043 . 1 1 223 223 ALA N N 15 126.973 0.030 . 1 . . . . 223 ALA N . 18775 1 1044 . 1 1 224 224 SER H H 1 8.751 0.003 . 1 . . . . 224 SER H . 18775 1 1045 . 1 1 224 224 SER C C 13 175.612 0.020 . 1 . . . . 224 SER C . 18775 1 1046 . 1 1 224 224 SER CA C 13 59.095 0.026 . 1 . . . . 224 SER CA . 18775 1 1047 . 1 1 224 224 SER CB C 13 63.536 0.068 . 1 . . . . 224 SER CB . 18775 1 1048 . 1 1 224 224 SER N N 15 119.245 0.060 . 1 . . . . 224 SER N . 18775 1 1049 . 1 1 225 225 ALA H H 1 8.461 0.002 . 1 . . . . 225 ALA H . 18775 1 1050 . 1 1 225 225 ALA C C 13 178.345 0.015 . 1 . . . . 225 ALA C . 18775 1 1051 . 1 1 225 225 ALA CA C 13 53.058 0.012 . 1 . . . . 225 ALA CA . 18775 1 1052 . 1 1 225 225 ALA CB C 13 18.581 0.011 . 1 . . . . 225 ALA CB . 18775 1 1053 . 1 1 225 225 ALA N N 15 125.693 0.036 . 1 . . . . 225 ALA N . 18775 1 1054 . 1 1 226 226 GLU H H 1 8.110 0.005 . 1 . . . . 226 GLU H . 18775 1 1055 . 1 1 226 226 GLU C C 13 176.349 0.010 . 1 . . . . 226 GLU C . 18775 1 1056 . 1 1 226 226 GLU CA C 13 56.366 0.019 . 1 . . . . 226 GLU CA . 18775 1 1057 . 1 1 226 226 GLU CB C 13 29.320 0.057 . 1 . . . . 226 GLU CB . 18775 1 1058 . 1 1 226 226 GLU N N 15 118.060 0.030 . 1 . . . . 226 GLU N . 18775 1 1059 . 1 1 227 227 ASN H H 1 8.059 0.004 . 1 . . . . 227 ASN H . 18775 1 1060 . 1 1 227 227 ASN C C 13 174.973 0.009 . 1 . . . . 227 ASN C . 18775 1 1061 . 1 1 227 227 ASN CA C 13 53.328 0.010 . 1 . . . . 227 ASN CA . 18775 1 1062 . 1 1 227 227 ASN CB C 13 38.211 0.011 . 1 . . . . 227 ASN CB . 18775 1 1063 . 1 1 227 227 ASN N N 15 118.217 0.032 . 1 . . . . 227 ASN N . 18775 1 1064 . 1 1 228 228 LEU H H 1 7.944 0.001 . 1 . . . . 228 LEU H . 18775 1 1065 . 1 1 228 228 LEU C C 13 176.356 0.011 . 1 . . . . 228 LEU C . 18775 1 1066 . 1 1 228 228 LEU CA C 13 54.778 0.016 . 1 . . . . 228 LEU CA . 18775 1 1067 . 1 1 228 228 LEU CB C 13 41.389 0.038 . 1 . . . . 228 LEU CB . 18775 1 1068 . 1 1 228 228 LEU N N 15 122.100 0.018 . 1 . . . . 228 LEU N . 18775 1 1069 . 1 1 229 229 TYR H H 1 7.625 0.004 . 1 . . . . 229 TYR H . 18775 1 1070 . 1 1 229 229 TYR C C 13 175.330 0.005 . 1 . . . . 229 TYR C . 18775 1 1071 . 1 1 229 229 TYR CA C 13 57.229 0.025 . 1 . . . . 229 TYR CA . 18775 1 1072 . 1 1 229 229 TYR CB C 13 38.483 0.050 . 1 . . . . 229 TYR CB . 18775 1 1073 . 1 1 229 229 TYR N N 15 119.097 0.036 . 1 . . . . 229 TYR N . 18775 1 1074 . 1 1 230 230 PHE H H 1 8.045 0.002 . 1 . . . . 230 PHE H . 18775 1 1075 . 1 1 230 230 PHE C C 13 174.915 0.004 . 1 . . . . 230 PHE C . 18775 1 1076 . 1 1 230 230 PHE CA C 13 57.348 0.019 . 1 . . . . 230 PHE CA . 18775 1 1077 . 1 1 230 230 PHE CB C 13 38.939 0.048 . 1 . . . . 230 PHE CB . 18775 1 1078 . 1 1 230 230 PHE N N 15 120.957 0.012 . 1 . . . . 230 PHE N . 18775 1 1079 . 1 1 231 231 GLN H H 1 7.790 0.002 . 1 . . . . 231 GLN H . 18775 1 1080 . 1 1 231 231 GLN C C 13 180.558 0.001 . 1 . . . . 231 GLN C . 18775 1 1081 . 1 1 231 231 GLN CA C 13 57.156 0.001 . 1 . . . . 231 GLN CA . 18775 1 1082 . 1 1 231 231 GLN CB C 13 29.944 0.050 . 1 . . . . 231 GLN CB . 18775 1 1083 . 1 1 231 231 GLN N N 15 126.395 0.011 . 1 . . . . 231 GLN N . 18775 1 stop_ save_