data_6090 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6090 _Entry.Title ; 1H, 13C and 15N resonance assignement of the reduced form of methionine sulfoxide reductase A from Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-02-04 _Entry.Accession_date 2004-02-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Nicolas Coudevylle . . . 6090 2 Aurelien Thureau . . . 6090 3 Said Azza . . . 6090 4 Sandrine Boshi-Muller . . . 6090 5 Guy Branlant . . . 6090 6 Manh-Thong Cung . . . 6090 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6090 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 795 6090 '13C chemical shifts' 651 6090 '15N chemical shifts' 184 6090 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 . . 2005-04-29 . update author 'update chemical shift table' 6090 2 . . 2004-02-20 . original author 'original release' 6090 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6090 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N resonance assignement of the reduced form of methionine sulfoxide reductase A from Escherichia coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 3 _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 363 _Citation.Page_last 364 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nicolas Coudevylle . . . 6090 1 2 Aurelien Thureau . . . 6090 1 3 Said Azza . . . 6090 1 4 Sandrine Boshi-Muller . . . 6090 1 5 Guy Branlant . . . 6090 1 6 Manh-Thong Cung . . . 6090 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'methionine sulfoxide reductase A' 6090 1 'Escherichia coli' 6090 1 'resonance assignement' 6090 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MsrA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MsrA _Assembly.Entry_ID 6090 _Assembly.ID 1 _Assembly.Name 'methionine sulfoxide reductase A' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6090 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MsrA 1 $MsrA . . . native . . . . . 6090 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'methionine sulfoxide reductase A' system 6090 1 MsrA abbreviation 6090 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MsrA _Entity.Sf_category entity _Entity.Sf_framecode MsrA _Entity.Entry_ID 6090 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Methionine sulfoxide reductase A' _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 ; SLFDKKHLVSPADALPGRNT PMPVATLHAVNGHSMTNVPD GMEIAIFAMGCFWGVERLFW QLPGVYSTAAGYTGGYTPNP TYREVCSGDTGHAEAVRIVY DPSVISYEQLLQVFWENHDP AQGMRQGNDHGTQYRSAIYP LTPEQDAAARASLERFQAAM LAADDDRHITTEIANATPFY YAEDDHQQYLHKNPYGYCGI GGIGVCLPPEA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 211 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 6786 . MsrA . . . . . 100.00 211 99.05 99.05 1.09e-153 . . . . 6090 1 2 no PDB 1FF3 . "Structure Of The Peptide Methionine Sulfoxide Reductase From Escherichia Coli" . . . . . 100.00 211 99.53 99.53 2.51e-154 . . . . 6090 1 3 no PDB 2GT3 . "Solution Structure And Dynamics Of The Reduced Form Of Methionine Sulfoxide Reductase A From Escherichia Coli, A 23 Kda Protein" . . . . . 100.00 212 100.00 100.00 6.74e-156 . . . . 6090 1 4 no PDB 2IEM . "Solution Structure Of An Oxidized Form (Cys51-Cys198) Of E. Coli Methionine Sulfoxide Reductase A (Msra)" . . . . . 100.00 211 99.05 99.05 1.09e-153 . . . . 6090 1 5 no DBJ BAB38620 . "peptide methionine sulfoxide reductase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 212 99.53 99.53 1.02e-154 . . . . 6090 1 6 no DBJ BAE78220 . "methionine sulfoxide reductase A [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 212 100.00 100.00 6.74e-156 . . . . 6090 1 7 no DBJ BAG80049 . "peptide methionine sulfoxide reductase [Escherichia coli SE11]" . . . . . 100.00 212 99.05 99.05 5.08e-154 . . . . 6090 1 8 no DBJ BAI28524 . "methionine sulfoxide reductase A [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 212 100.00 100.00 6.74e-156 . . . . 6090 1 9 no DBJ BAI33698 . "methionine sulfoxide reductase A [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 212 100.00 100.00 6.74e-156 . . . . 6090 1 10 no EMBL CAP78740 . "Peptide methionine sulfoxide reductase msrA [Escherichia coli LF82]" . . . . . 100.00 212 99.05 99.05 8.77e-154 . . . . 6090 1 11 no EMBL CAQ34570 . "methionine sulfoxide reductase A [Escherichia coli BL21(DE3)]" . . . . . 100.00 212 100.00 100.00 6.74e-156 . . . . 6090 1 12 no EMBL CAR01194 . "methionine sulfoxide reductase A [Escherichia coli IAI1]" . . . . . 100.00 212 100.00 100.00 6.74e-156 . . . . 6090 1 13 no EMBL CAR05961 . "methionine sulfoxide reductase A [Escherichia coli S88]" . . . . . 100.00 212 100.00 100.00 6.74e-156 . . . . 6090 1 14 no EMBL CAR11177 . "methionine sulfoxide reductase A [Escherichia coli ED1a]" . . . . . 100.00 212 99.53 99.53 5.22e-155 . . . . 6090 1 15 no GB AAA24399 . "peptide methionine sulfoxide reductase [Escherichia coli]" . . . . . 100.00 212 100.00 100.00 6.74e-156 . . . . 6090 1 16 no GB AAA97115 . "peptide methionine sulfoxide reductase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 212 100.00 100.00 6.74e-156 . . . . 6090 1 17 no GB AAC77176 . "methionine sulfoxide reductase A [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 212 100.00 100.00 6.74e-156 . . . . 6090 1 18 no GB AAG59417 . "peptide methionine sulfoxide reductase [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 212 99.53 99.53 1.02e-154 . . . . 6090 1 19 no GB AAN45686 . "peptide methionine sulfoxide reductase [Shigella flexneri 2a str. 301]" . . . . . 100.00 212 100.00 100.00 6.74e-156 . . . . 6090 1 20 no REF NP_290851 . "methionine sulfoxide reductase A [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 212 99.53 99.53 1.02e-154 . . . . 6090 1 21 no REF NP_313224 . "methionine sulfoxide reductase A [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 212 99.53 99.53 1.02e-154 . . . . 6090 1 22 no REF NP_418640 . "methionine sulfoxide reductase A [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 212 100.00 100.00 6.74e-156 . . . . 6090 1 23 no REF NP_709979 . "methionine sulfoxide reductase A [Shigella flexneri 2a str. 301]" . . . . . 100.00 212 100.00 100.00 6.74e-156 . . . . 6090 1 24 no REF NP_757164 . "methionine sulfoxide reductase A [Escherichia coli CFT073]" . . . . . 100.00 234 99.05 99.05 9.04e-154 . . . . 6090 1 25 no SP A7ZV98 . "RecName: Full=Peptide methionine sulfoxide reductase MsrA; Short=Protein-methionine-S-oxide reductase; AltName: Full=Peptide-me" . . . . . 100.00 212 100.00 100.00 6.74e-156 . . . . 6090 1 26 no SP A8A7X5 . "RecName: Full=Peptide methionine sulfoxide reductase MsrA; Short=Protein-methionine-S-oxide reductase; AltName: Full=Peptide-me" . . . . . 100.00 212 100.00 100.00 6.74e-156 . . . . 6090 1 27 no SP B1ISY2 . "RecName: Full=Peptide methionine sulfoxide reductase MsrA; Short=Protein-methionine-S-oxide reductase; AltName: Full=Peptide-me" . . . . . 100.00 212 100.00 100.00 6.74e-156 . . . . 6090 1 28 no SP B1LRA3 . "RecName: Full=Peptide methionine sulfoxide reductase MsrA; Short=Protein-methionine-S-oxide reductase; AltName: Full=Peptide-me" . . . . . 100.00 212 99.05 99.05 1.02e-153 . . . . 6090 1 29 no SP B1XDW8 . "RecName: Full=Peptide methionine sulfoxide reductase MsrA; Short=Protein-methionine-S-oxide reductase; AltName: Full=Peptide-me" . . . . . 100.00 212 100.00 100.00 6.74e-156 . . . . 6090 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Methionine sulfoxide reductase A' common 6090 1 MsrA abbreviation 6090 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 . SER . 6090 1 2 . LEU . 6090 1 3 . PHE . 6090 1 4 . ASP . 6090 1 5 . LYS . 6090 1 6 . LYS . 6090 1 7 . HIS . 6090 1 8 . LEU . 6090 1 9 . VAL . 6090 1 10 . SER . 6090 1 11 . PRO . 6090 1 12 . ALA . 6090 1 13 . ASP . 6090 1 14 . ALA . 6090 1 15 . LEU . 6090 1 16 . PRO . 6090 1 17 . GLY . 6090 1 18 . ARG . 6090 1 19 . ASN . 6090 1 20 . THR . 6090 1 21 . PRO . 6090 1 22 . MET . 6090 1 23 . PRO . 6090 1 24 . VAL . 6090 1 25 . ALA . 6090 1 26 . THR . 6090 1 27 . LEU . 6090 1 28 . HIS . 6090 1 29 . ALA . 6090 1 30 . VAL . 6090 1 31 . ASN . 6090 1 32 . GLY . 6090 1 33 . HIS . 6090 1 34 . SER . 6090 1 35 . MET . 6090 1 36 . THR . 6090 1 37 . ASN . 6090 1 38 . VAL . 6090 1 39 . PRO . 6090 1 40 . ASP . 6090 1 41 . GLY . 6090 1 42 . MET . 6090 1 43 . GLU . 6090 1 44 . ILE . 6090 1 45 . ALA . 6090 1 46 . ILE . 6090 1 47 . PHE . 6090 1 48 . ALA . 6090 1 49 . MET . 6090 1 50 . GLY . 6090 1 51 . CYS . 6090 1 52 . PHE . 6090 1 53 . TRP . 6090 1 54 . GLY . 6090 1 55 . VAL . 6090 1 56 . GLU . 6090 1 57 . ARG . 6090 1 58 . LEU . 6090 1 59 . PHE . 6090 1 60 . TRP . 6090 1 61 . GLN . 6090 1 62 . LEU . 6090 1 63 . PRO . 6090 1 64 . GLY . 6090 1 65 . VAL . 6090 1 66 . TYR . 6090 1 67 . SER . 6090 1 68 . THR . 6090 1 69 . ALA . 6090 1 70 . ALA . 6090 1 71 . GLY . 6090 1 72 . TYR . 6090 1 73 . THR . 6090 1 74 . GLY . 6090 1 75 . GLY . 6090 1 76 . TYR . 6090 1 77 . THR . 6090 1 78 . PRO . 6090 1 79 . ASN . 6090 1 80 . PRO . 6090 1 81 . THR . 6090 1 82 . TYR . 6090 1 83 . ARG . 6090 1 84 . GLU . 6090 1 85 . VAL . 6090 1 86 . CYS . 6090 1 87 . SER . 6090 1 88 . GLY . 6090 1 89 . ASP . 6090 1 90 . THR . 6090 1 91 . GLY . 6090 1 92 . HIS . 6090 1 93 . ALA . 6090 1 94 . GLU . 6090 1 95 . ALA . 6090 1 96 . VAL . 6090 1 97 . ARG . 6090 1 98 . ILE . 6090 1 99 . VAL . 6090 1 100 . TYR . 6090 1 101 . ASP . 6090 1 102 . PRO . 6090 1 103 . SER . 6090 1 104 . VAL . 6090 1 105 . ILE . 6090 1 106 . SER . 6090 1 107 . TYR . 6090 1 108 . GLU . 6090 1 109 . GLN . 6090 1 110 . LEU . 6090 1 111 . LEU . 6090 1 112 . GLN . 6090 1 113 . VAL . 6090 1 114 . PHE . 6090 1 115 . TRP . 6090 1 116 . GLU . 6090 1 117 . ASN . 6090 1 118 . HIS . 6090 1 119 . ASP . 6090 1 120 . PRO . 6090 1 121 . ALA . 6090 1 122 . GLN . 6090 1 123 . GLY . 6090 1 124 . MET . 6090 1 125 . ARG . 6090 1 126 . GLN . 6090 1 127 . GLY . 6090 1 128 . ASN . 6090 1 129 . ASP . 6090 1 130 . HIS . 6090 1 131 . GLY . 6090 1 132 . THR . 6090 1 133 . GLN . 6090 1 134 . TYR . 6090 1 135 . ARG . 6090 1 136 . SER . 6090 1 137 . ALA . 6090 1 138 . ILE . 6090 1 139 . TYR . 6090 1 140 . PRO . 6090 1 141 . LEU . 6090 1 142 . THR . 6090 1 143 . PRO . 6090 1 144 . GLU . 6090 1 145 . GLN . 6090 1 146 . ASP . 6090 1 147 . ALA . 6090 1 148 . ALA . 6090 1 149 . ALA . 6090 1 150 . ARG . 6090 1 151 . ALA . 6090 1 152 . SER . 6090 1 153 . LEU . 6090 1 154 . GLU . 6090 1 155 . ARG . 6090 1 156 . PHE . 6090 1 157 . GLN . 6090 1 158 . ALA . 6090 1 159 . ALA . 6090 1 160 . MET . 6090 1 161 . LEU . 6090 1 162 . ALA . 6090 1 163 . ALA . 6090 1 164 . ASP . 6090 1 165 . ASP . 6090 1 166 . ASP . 6090 1 167 . ARG . 6090 1 168 . HIS . 6090 1 169 . ILE . 6090 1 170 . THR . 6090 1 171 . THR . 6090 1 172 . GLU . 6090 1 173 . ILE . 6090 1 174 . ALA . 6090 1 175 . ASN . 6090 1 176 . ALA . 6090 1 177 . THR . 6090 1 178 . PRO . 6090 1 179 . PHE . 6090 1 180 . TYR . 6090 1 181 . TYR . 6090 1 182 . ALA . 6090 1 183 . GLU . 6090 1 184 . ASP . 6090 1 185 . ASP . 6090 1 186 . HIS . 6090 1 187 . GLN . 6090 1 188 . GLN . 6090 1 189 . TYR . 6090 1 190 . LEU . 6090 1 191 . HIS . 6090 1 192 . LYS . 6090 1 193 . ASN . 6090 1 194 . PRO . 6090 1 195 . TYR . 6090 1 196 . GLY . 6090 1 197 . TYR . 6090 1 198 . CYS . 6090 1 199 . GLY . 6090 1 200 . ILE . 6090 1 201 . GLY . 6090 1 202 . GLY . 6090 1 203 . ILE . 6090 1 204 . GLY . 6090 1 205 . VAL . 6090 1 206 . CYS . 6090 1 207 . LEU . 6090 1 208 . PRO . 6090 1 209 . PRO . 6090 1 210 . GLU . 6090 1 211 . ALA . 6090 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 . SER 1 1 6090 1 . LEU 2 2 6090 1 . PHE 3 3 6090 1 . ASP 4 4 6090 1 . LYS 5 5 6090 1 . LYS 6 6 6090 1 . HIS 7 7 6090 1 . LEU 8 8 6090 1 . VAL 9 9 6090 1 . SER 10 10 6090 1 . PRO 11 11 6090 1 . ALA 12 12 6090 1 . ASP 13 13 6090 1 . ALA 14 14 6090 1 . LEU 15 15 6090 1 . PRO 16 16 6090 1 . GLY 17 17 6090 1 . ARG 18 18 6090 1 . ASN 19 19 6090 1 . THR 20 20 6090 1 . PRO 21 21 6090 1 . MET 22 22 6090 1 . PRO 23 23 6090 1 . VAL 24 24 6090 1 . ALA 25 25 6090 1 . THR 26 26 6090 1 . LEU 27 27 6090 1 . HIS 28 28 6090 1 . ALA 29 29 6090 1 . VAL 30 30 6090 1 . ASN 31 31 6090 1 . GLY 32 32 6090 1 . HIS 33 33 6090 1 . SER 34 34 6090 1 . MET 35 35 6090 1 . THR 36 36 6090 1 . ASN 37 37 6090 1 . VAL 38 38 6090 1 . PRO 39 39 6090 1 . ASP 40 40 6090 1 . GLY 41 41 6090 1 . MET 42 42 6090 1 . GLU 43 43 6090 1 . ILE 44 44 6090 1 . ALA 45 45 6090 1 . ILE 46 46 6090 1 . PHE 47 47 6090 1 . ALA 48 48 6090 1 . MET 49 49 6090 1 . GLY 50 50 6090 1 . CYS 51 51 6090 1 . PHE 52 52 6090 1 . TRP 53 53 6090 1 . GLY 54 54 6090 1 . VAL 55 55 6090 1 . GLU 56 56 6090 1 . ARG 57 57 6090 1 . LEU 58 58 6090 1 . PHE 59 59 6090 1 . TRP 60 60 6090 1 . GLN 61 61 6090 1 . LEU 62 62 6090 1 . PRO 63 63 6090 1 . GLY 64 64 6090 1 . VAL 65 65 6090 1 . TYR 66 66 6090 1 . SER 67 67 6090 1 . THR 68 68 6090 1 . ALA 69 69 6090 1 . ALA 70 70 6090 1 . GLY 71 71 6090 1 . TYR 72 72 6090 1 . THR 73 73 6090 1 . GLY 74 74 6090 1 . GLY 75 75 6090 1 . TYR 76 76 6090 1 . THR 77 77 6090 1 . PRO 78 78 6090 1 . ASN 79 79 6090 1 . PRO 80 80 6090 1 . THR 81 81 6090 1 . TYR 82 82 6090 1 . ARG 83 83 6090 1 . GLU 84 84 6090 1 . VAL 85 85 6090 1 . CYS 86 86 6090 1 . SER 87 87 6090 1 . GLY 88 88 6090 1 . ASP 89 89 6090 1 . THR 90 90 6090 1 . GLY 91 91 6090 1 . HIS 92 92 6090 1 . ALA 93 93 6090 1 . GLU 94 94 6090 1 . ALA 95 95 6090 1 . VAL 96 96 6090 1 . ARG 97 97 6090 1 . ILE 98 98 6090 1 . VAL 99 99 6090 1 . TYR 100 100 6090 1 . ASP 101 101 6090 1 . PRO 102 102 6090 1 . SER 103 103 6090 1 . VAL 104 104 6090 1 . ILE 105 105 6090 1 . SER 106 106 6090 1 . TYR 107 107 6090 1 . GLU 108 108 6090 1 . GLN 109 109 6090 1 . LEU 110 110 6090 1 . LEU 111 111 6090 1 . GLN 112 112 6090 1 . VAL 113 113 6090 1 . PHE 114 114 6090 1 . TRP 115 115 6090 1 . GLU 116 116 6090 1 . ASN 117 117 6090 1 . HIS 118 118 6090 1 . ASP 119 119 6090 1 . PRO 120 120 6090 1 . ALA 121 121 6090 1 . GLN 122 122 6090 1 . GLY 123 123 6090 1 . MET 124 124 6090 1 . ARG 125 125 6090 1 . GLN 126 126 6090 1 . GLY 127 127 6090 1 . ASN 128 128 6090 1 . ASP 129 129 6090 1 . HIS 130 130 6090 1 . GLY 131 131 6090 1 . THR 132 132 6090 1 . GLN 133 133 6090 1 . TYR 134 134 6090 1 . ARG 135 135 6090 1 . SER 136 136 6090 1 . ALA 137 137 6090 1 . ILE 138 138 6090 1 . TYR 139 139 6090 1 . PRO 140 140 6090 1 . LEU 141 141 6090 1 . THR 142 142 6090 1 . PRO 143 143 6090 1 . GLU 144 144 6090 1 . GLN 145 145 6090 1 . ASP 146 146 6090 1 . ALA 147 147 6090 1 . ALA 148 148 6090 1 . ALA 149 149 6090 1 . ARG 150 150 6090 1 . ALA 151 151 6090 1 . SER 152 152 6090 1 . LEU 153 153 6090 1 . GLU 154 154 6090 1 . ARG 155 155 6090 1 . PHE 156 156 6090 1 . GLN 157 157 6090 1 . ALA 158 158 6090 1 . ALA 159 159 6090 1 . MET 160 160 6090 1 . LEU 161 161 6090 1 . ALA 162 162 6090 1 . ALA 163 163 6090 1 . ASP 164 164 6090 1 . ASP 165 165 6090 1 . ASP 166 166 6090 1 . ARG 167 167 6090 1 . HIS 168 168 6090 1 . ILE 169 169 6090 1 . THR 170 170 6090 1 . THR 171 171 6090 1 . GLU 172 172 6090 1 . ILE 173 173 6090 1 . ALA 174 174 6090 1 . ASN 175 175 6090 1 . ALA 176 176 6090 1 . THR 177 177 6090 1 . PRO 178 178 6090 1 . PHE 179 179 6090 1 . TYR 180 180 6090 1 . TYR 181 181 6090 1 . ALA 182 182 6090 1 . GLU 183 183 6090 1 . ASP 184 184 6090 1 . ASP 185 185 6090 1 . HIS 186 186 6090 1 . GLN 187 187 6090 1 . GLN 188 188 6090 1 . TYR 189 189 6090 1 . LEU 190 190 6090 1 . HIS 191 191 6090 1 . LYS 192 192 6090 1 . ASN 193 193 6090 1 . PRO 194 194 6090 1 . TYR 195 195 6090 1 . GLY 196 196 6090 1 . TYR 197 197 6090 1 . CYS 198 198 6090 1 . GLY 199 199 6090 1 . ILE 200 200 6090 1 . GLY 201 201 6090 1 . GLY 202 202 6090 1 . ILE 203 203 6090 1 . GLY 204 204 6090 1 . VAL 205 205 6090 1 . CYS 206 206 6090 1 . LEU 207 207 6090 1 . PRO 208 208 6090 1 . PRO 209 209 6090 1 . GLU 210 210 6090 1 . ALA 211 211 6090 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6090 _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 $MsrA . 562 . . 'Esherichia coli' 'Esherichia coli' . . Eubacteria . Esherichia coli . . . . . . . . . . . . . . . . . . . . . 6090 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 6090 _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 $MsrA . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6090 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6090 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Methionine sulfoxide reductase A' '[U-99% 13C; U-99% 15N]' . . 1 $MsrA . . 0.9 . . mM . . . . 6090 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6090 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.1 0.1 n/a 6090 1 temperature 298 0.2 K 6090 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6090 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectra processing' 6090 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6090 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details 'Bartel et al, 1995.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak peaking' 6090 2 'spectra assignment' 6090 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6090 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6090 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 600 . . . 6090 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 6090 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6090 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6090 1 3 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6090 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6090 1 5 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6090 1 6 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6090 1 7 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6090 1 8 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6090 1 9 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6090 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6090 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6090 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6090 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6090 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6090 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6090 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6090 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6090 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6090 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6090 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6090 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6090 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6090 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6090 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6090 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 LEU C C 13 177.584 0.100 . 1 . . . . . . . . 6090 1 2 . 1 1 2 2 LEU CA C 13 56.151 0.100 . 1 . . . . . . . . 6090 1 3 . 1 1 2 2 LEU CB C 13 42.785 0.100 . 1 . . . . . . . . 6090 1 4 . 1 1 3 3 PHE H H 1 8.171 0.010 . 1 . . . . . . . . 6090 1 5 . 1 1 3 3 PHE HA H 1 4.419 0.010 . 1 . . . . . . . . 6090 1 6 . 1 1 3 3 PHE HB2 H 1 3.029 0.010 . 1 . . . . . . . . 6090 1 7 . 1 1 3 3 PHE HB3 H 1 3.029 0.010 . 1 . . . . . . . . 6090 1 8 . 1 1 3 3 PHE C C 13 175.463 0.100 . 1 . . . . . . . . 6090 1 9 . 1 1 3 3 PHE CA C 13 58.996 0.100 . 1 . . . . . . . . 6090 1 10 . 1 1 3 3 PHE CB C 13 39.741 0.100 . 1 . . . . . . . . 6090 1 11 . 1 1 3 3 PHE N N 15 120.320 0.100 . 1 . . . . . . . . 6090 1 12 . 1 1 4 4 ASP H H 1 7.638 0.010 . 1 . . . . . . . . 6090 1 13 . 1 1 4 4 ASP HA H 1 4.478 0.010 . 1 . . . . . . . . 6090 1 14 . 1 1 4 4 ASP HB2 H 1 2.446 0.010 . 1 . . . . . . . . 6090 1 15 . 1 1 4 4 ASP HB3 H 1 2.446 0.010 . 1 . . . . . . . . 6090 1 16 . 1 1 4 4 ASP C C 13 176.385 0.100 . 1 . . . . . . . . 6090 1 17 . 1 1 4 4 ASP CA C 13 54.147 0.100 . 1 . . . . . . . . 6090 1 18 . 1 1 4 4 ASP CB C 13 42.531 0.100 . 1 . . . . . . . . 6090 1 19 . 1 1 4 4 ASP N N 15 123.978 0.100 . 1 . . . . . . . . 6090 1 20 . 1 1 5 5 LYS H H 1 8.260 0.010 . 1 . . . . . . . . 6090 1 21 . 1 1 5 5 LYS HA H 1 4.051 0.010 . 1 . . . . . . . . 6090 1 22 . 1 1 5 5 LYS HB2 H 1 1.811 0.010 . 1 . . . . . . . . 6090 1 23 . 1 1 5 5 LYS HB3 H 1 1.811 0.010 . 1 . . . . . . . . 6090 1 24 . 1 1 5 5 LYS HG2 H 1 1.465 0.010 . 1 . . . . . . . . 6090 1 25 . 1 1 5 5 LYS HG3 H 1 1.465 0.010 . 1 . . . . . . . . 6090 1 26 . 1 1 5 5 LYS HD2 H 1 1.681 0.010 . 1 . . . . . . . . 6090 1 27 . 1 1 5 5 LYS HD3 H 1 1.681 0.010 . 1 . . . . . . . . 6090 1 28 . 1 1 5 5 LYS HE2 H 1 2.979 0.010 . 1 . . . . . . . . 6090 1 29 . 1 1 5 5 LYS HE3 H 1 2.979 0.010 . 1 . . . . . . . . 6090 1 30 . 1 1 5 5 LYS C C 13 177.783 0.100 . 1 . . . . . . . . 6090 1 31 . 1 1 5 5 LYS CA C 13 57.835 0.100 . 1 . . . . . . . . 6090 1 32 . 1 1 5 5 LYS CB C 13 32.897 0.100 . 1 . . . . . . . . 6090 1 33 . 1 1 5 5 LYS CG C 13 25.819 0.100 . 1 . . . . . . . . 6090 1 34 . 1 1 5 5 LYS CD C 13 29.847 0.100 . 1 . . . . . . . . 6090 1 35 . 1 1 5 5 LYS CE C 13 42.800 0.100 . 1 . . . . . . . . 6090 1 36 . 1 1 5 5 LYS N N 15 122.882 0.100 . 1 . . . . . . . . 6090 1 37 . 1 1 6 6 LYS H H 1 8.432 0.010 . 1 . . . . . . . . 6090 1 38 . 1 1 6 6 LYS HA H 1 4.198 0.010 . 1 . . . . . . . . 6090 1 39 . 1 1 6 6 LYS HB2 H 1 1.675 0.010 . 1 . . . . . . . . 6090 1 40 . 1 1 6 6 LYS HB3 H 1 1.675 0.010 . 1 . . . . . . . . 6090 1 41 . 1 1 6 6 LYS HG2 H 1 1.257 0.010 . 1 . . . . . . . . 6090 1 42 . 1 1 6 6 LYS HG3 H 1 1.257 0.010 . 1 . . . . . . . . 6090 1 43 . 1 1 6 6 LYS HD2 H 1 1.596 0.010 . 1 . . . . . . . . 6090 1 44 . 1 1 6 6 LYS HD3 H 1 1.596 0.010 . 1 . . . . . . . . 6090 1 45 . 1 1 6 6 LYS HE2 H 1 2.896 0.010 . 1 . . . . . . . . 6090 1 46 . 1 1 6 6 LYS HE3 H 1 2.896 0.010 . 1 . . . . . . . . 6090 1 47 . 1 1 6 6 LYS C C 13 176.693 0.100 . 1 . . . . . . . . 6090 1 48 . 1 1 6 6 LYS CA C 13 57.521 0.100 . 1 . . . . . . . . 6090 1 49 . 1 1 6 6 LYS CB C 13 32.487 0.100 . 1 . . . . . . . . 6090 1 50 . 1 1 6 6 LYS CG C 13 25.209 0.100 . 1 . . . . . . . . 6090 1 51 . 1 1 6 6 LYS CD C 13 29.420 0.100 . 1 . . . . . . . . 6090 1 52 . 1 1 6 6 LYS CE C 13 42.504 0.100 . 1 . . . . . . . . 6090 1 53 . 1 1 6 6 LYS N N 15 120.849 0.100 . 1 . . . . . . . . 6090 1 54 . 1 1 7 7 HIS H H 1 7.894 0.010 . 1 . . . . . . . . 6090 1 55 . 1 1 7 7 HIS HA H 1 4.596 0.010 . 1 . . . . . . . . 6090 1 56 . 1 1 7 7 HIS HB2 H 1 3.148 0.010 . 1 . . . . . . . . 6090 1 57 . 1 1 7 7 HIS HB3 H 1 2.941 0.010 . 1 . . . . . . . . 6090 1 58 . 1 1 7 7 HIS C C 13 175.320 0.100 . 1 . . . . . . . . 6090 1 59 . 1 1 7 7 HIS CA C 13 56.130 0.100 . 1 . . . . . . . . 6090 1 60 . 1 1 7 7 HIS CB C 13 31.400 0.100 . 1 . . . . . . . . 6090 1 61 . 1 1 7 7 HIS N N 15 117.975 0.100 . 1 . . . . . . . . 6090 1 62 . 1 1 8 8 LEU H H 1 7.686 0.010 . 1 . . . . . . . . 6090 1 63 . 1 1 8 8 LEU HA H 1 4.478 0.010 . 1 . . . . . . . . 6090 1 64 . 1 1 8 8 LEU HB2 H 1 1.723 0.010 . 1 . . . . . . . . 6090 1 65 . 1 1 8 8 LEU HB3 H 1 1.723 0.010 . 1 . . . . . . . . 6090 1 66 . 1 1 8 8 LEU HG H 1 1.678 0.010 . 1 . . . . . . . . 6090 1 67 . 1 1 8 8 LEU HD11 H 1 0.956 0.010 . 1 . . . . . . . . 6090 1 68 . 1 1 8 8 LEU HD12 H 1 0.956 0.010 . 1 . . . . . . . . 6090 1 69 . 1 1 8 8 LEU HD13 H 1 0.956 0.010 . 1 . . . . . . . . 6090 1 70 . 1 1 8 8 LEU HD21 H 1 0.877 0.010 . 1 . . . . . . . . 6090 1 71 . 1 1 8 8 LEU HD22 H 1 0.877 0.010 . 1 . . . . . . . . 6090 1 72 . 1 1 8 8 LEU HD23 H 1 0.877 0.010 . 1 . . . . . . . . 6090 1 73 . 1 1 8 8 LEU C C 13 177.013 0.100 . 1 . . . . . . . . 6090 1 74 . 1 1 8 8 LEU CA C 13 54.800 0.100 . 1 . . . . . . . . 6090 1 75 . 1 1 8 8 LEU CB C 13 43.987 0.100 . 1 . . . . . . . . 6090 1 76 . 1 1 8 8 LEU CG C 13 27.658 0.100 . 1 . . . . . . . . 6090 1 77 . 1 1 8 8 LEU CD1 C 13 25.418 0.100 . 1 . . . . . . . . 6090 1 78 . 1 1 8 8 LEU CD2 C 13 24.280 0.100 . 1 . . . . . . . . 6090 1 79 . 1 1 8 8 LEU N N 15 122.405 0.100 . 1 . . . . . . . . 6090 1 80 . 1 1 9 9 VAL H H 1 7.686 0.010 . 1 . . . . . . . . 6090 1 81 . 1 1 9 9 VAL HA H 1 3.977 0.010 . 1 . . . . . . . . 6090 1 82 . 1 1 9 9 VAL HB H 1 2.103 0.010 . 1 . . . . . . . . 6090 1 83 . 1 1 9 9 VAL HG11 H 1 0.949 0.010 . 1 . . . . . . . . 6090 1 84 . 1 1 9 9 VAL HG12 H 1 0.949 0.010 . 1 . . . . . . . . 6090 1 85 . 1 1 9 9 VAL HG13 H 1 0.949 0.010 . 1 . . . . . . . . 6090 1 86 . 1 1 9 9 VAL HG21 H 1 0.698 0.010 . 1 . . . . . . . . 6090 1 87 . 1 1 9 9 VAL HG22 H 1 0.698 0.010 . 1 . . . . . . . . 6090 1 88 . 1 1 9 9 VAL HG23 H 1 0.698 0.010 . 1 . . . . . . . . 6090 1 89 . 1 1 9 9 VAL C C 13 174.122 0.100 . 1 . . . . . . . . 6090 1 90 . 1 1 9 9 VAL CA C 13 61.990 0.100 . 1 . . . . . . . . 6090 1 91 . 1 1 9 9 VAL CB C 13 32.774 0.100 . 1 . . . . . . . . 6090 1 92 . 1 1 9 9 VAL CG1 C 13 21.274 0.100 . 1 . . . . . . . . 6090 1 93 . 1 1 9 9 VAL CG2 C 13 20.360 0.100 . 1 . . . . . . . . 6090 1 94 . 1 1 9 9 VAL N N 15 122.405 0.100 . 1 . . . . . . . . 6090 1 95 . 1 1 10 10 SER H H 1 8.536 0.010 . 1 . . . . . . . . 6090 1 96 . 1 1 10 10 SER HA H 1 4.573 0.010 . 1 . . . . . . . . 6090 1 97 . 1 1 10 10 SER HB2 H 1 3.760 0.010 . 1 . . . . . . . . 6090 1 98 . 1 1 10 10 SER HB3 H 1 3.760 0.010 . 1 . . . . . . . . 6090 1 99 . 1 1 10 10 SER C C 13 174.833 0.100 . 1 . . . . . . . . 6090 1 100 . 1 1 10 10 SER CA C 13 56.853 0.100 . 1 . . . . . . . . 6090 1 101 . 1 1 10 10 SER CB C 13 63.536 0.100 . 1 . . . . . . . . 6090 1 102 . 1 1 10 10 SER N N 15 122.647 0.100 . 1 . . . . . . . . 6090 1 103 . 1 1 11 11 PRO HA H 1 3.134 0.010 . 1 . . . . . . . . 6090 1 104 . 1 1 11 11 PRO HB2 H 1 1.511 0.010 . 1 . . . . . . . . 6090 1 105 . 1 1 11 11 PRO HB3 H 1 1.511 0.010 . 1 . . . . . . . . 6090 1 106 . 1 1 11 11 PRO HG2 H 1 1.787 0.010 . 1 . . . . . . . . 6090 1 107 . 1 1 11 11 PRO HD2 H 1 3.632 0.010 . 1 . . . . . . . . 6090 1 108 . 1 1 11 11 PRO HD3 H 1 3.632 0.010 . 1 . . . . . . . . 6090 1 109 . 1 1 11 11 PRO C C 13 179.125 0.100 . 1 . . . . . . . . 6090 1 110 . 1 1 11 11 PRO CA C 13 65.763 0.100 . 1 . . . . . . . . 6090 1 111 . 1 1 11 11 PRO CB C 13 31.189 0.100 . 1 . . . . . . . . 6090 1 112 . 1 1 12 12 ALA H H 1 7.560 0.010 . 1 . . . . . . . . 6090 1 113 . 1 1 12 12 ALA HA H 1 3.948 0.010 . 1 . . . . . . . . 6090 1 114 . 1 1 12 12 ALA HB1 H 1 1.159 0.010 . 1 . . . . . . . . 6090 1 115 . 1 1 12 12 ALA HB2 H 1 1.159 0.010 . 1 . . . . . . . . 6090 1 116 . 1 1 12 12 ALA HB3 H 1 1.159 0.010 . 1 . . . . . . . . 6090 1 117 . 1 1 12 12 ALA C C 13 178.614 0.100 . 1 . . . . . . . . 6090 1 118 . 1 1 12 12 ALA CA C 13 54.550 0.100 . 1 . . . . . . . . 6090 1 119 . 1 1 12 12 ALA CB C 13 19.119 0.100 . 1 . . . . . . . . 6090 1 120 . 1 1 12 12 ALA N N 15 117.140 0.100 . 1 . . . . . . . . 6090 1 121 . 1 1 13 13 ASP H H 1 7.391 0.010 . 1 . . . . . . . . 6090 1 122 . 1 1 13 13 ASP HA H 1 4.587 0.010 . 1 . . . . . . . . 6090 1 123 . 1 1 13 13 ASP HB2 H 1 2.669 0.010 . 1 . . . . . . . . 6090 1 124 . 1 1 13 13 ASP HB3 H 1 2.378 0.010 . 1 . . . . . . . . 6090 1 125 . 1 1 13 13 ASP C C 13 175.686 0.100 . 1 . . . . . . . . 6090 1 126 . 1 1 13 13 ASP CA C 13 54.394 0.100 . 1 . . . . . . . . 6090 1 127 . 1 1 13 13 ASP CB C 13 42.480 0.100 . 1 . . . . . . . . 6090 1 128 . 1 1 13 13 ASP N N 15 115.868 0.100 . 1 . . . . . . . . 6090 1 129 . 1 1 14 14 ALA H H 1 6.924 0.010 . 1 . . . . . . . . 6090 1 130 . 1 1 14 14 ALA HA H 1 4.453 0.010 . 1 . . . . . . . . 6090 1 131 . 1 1 14 14 ALA C C 13 178.152 0.100 . 1 . . . . . . . . 6090 1 132 . 1 1 14 14 ALA CA C 13 51.902 0.100 . 1 . . . . . . . . 6090 1 133 . 1 1 14 14 ALA CB C 13 20.131 0.100 . 1 . . . . . . . . 6090 1 134 . 1 1 14 14 ALA N N 15 122.594 0.100 . 1 . . . . . . . . 6090 1 135 . 1 1 15 15 LEU H H 1 7.478 0.010 . 1 . . . . . . . . 6090 1 136 . 1 1 15 15 LEU HA H 1 3.853 0.010 . 1 . . . . . . . . 6090 1 137 . 1 1 15 15 LEU C C 13 177.923 0.100 . 1 . . . . . . . . 6090 1 138 . 1 1 15 15 LEU CA C 13 54.776 0.100 . 1 . . . . . . . . 6090 1 139 . 1 1 15 15 LEU CB C 13 40.201 0.100 . 1 . . . . . . . . 6090 1 140 . 1 1 15 15 LEU N N 15 120.223 0.100 . 1 . . . . . . . . 6090 1 141 . 1 1 16 16 PRO C C 13 178.724 0.100 . 1 . . . . . . . . 6090 1 142 . 1 1 16 16 PRO CA C 13 64.754 0.100 . 1 . . . . . . . . 6090 1 143 . 1 1 16 16 PRO CB C 13 32.168 0.100 . 1 . . . . . . . . 6090 1 144 . 1 1 17 17 GLY H H 1 8.412 0.010 . 1 . . . . . . . . 6090 1 145 . 1 1 17 17 GLY HA2 H 1 3.979 0.010 . 1 . . . . . . . . 6090 1 146 . 1 1 17 17 GLY HA3 H 1 3.174 0.010 . 1 . . . . . . . . 6090 1 147 . 1 1 17 17 GLY C C 13 173.261 0.100 . 1 . . . . . . . . 6090 1 148 . 1 1 17 17 GLY CA C 13 46.182 0.100 . 1 . . . . . . . . 6090 1 149 . 1 1 17 17 GLY N N 15 107.461 0.100 . 1 . . . . . . . . 6090 1 150 . 1 1 18 18 ARG H H 1 7.727 0.010 . 1 . . . . . . . . 6090 1 151 . 1 1 18 18 ARG HA H 1 4.082 0.010 . 1 . . . . . . . . 6090 1 152 . 1 1 18 18 ARG HB2 H 1 2.082 0.010 . 1 . . . . . . . . 6090 1 153 . 1 1 18 18 ARG HB3 H 1 2.082 0.010 . 1 . . . . . . . . 6090 1 154 . 1 1 18 18 ARG C C 13 175.578 0.100 . 1 . . . . . . . . 6090 1 155 . 1 1 18 18 ARG CA C 13 54.877 0.100 . 1 . . . . . . . . 6090 1 156 . 1 1 18 18 ARG CB C 13 29.889 0.100 . 1 . . . . . . . . 6090 1 157 . 1 1 18 18 ARG N N 15 117.333 0.100 . 1 . . . . . . . . 6090 1 158 . 1 1 19 19 ASN C C 13 175.471 0.100 . 1 . . . . . . . . 6090 1 159 . 1 1 19 19 ASN CA C 13 53.725 0.100 . 1 . . . . . . . . 6090 1 160 . 1 1 19 19 ASN CB C 13 39.300 0.100 . 1 . . . . . . . . 6090 1 161 . 1 1 20 20 THR H H 1 6.913 0.010 . 1 . . . . . . . . 6090 1 162 . 1 1 20 20 THR HA H 1 4.528 0.010 . 1 . . . . . . . . 6090 1 163 . 1 1 20 20 THR HB H 1 3.946 0.010 . 1 . . . . . . . . 6090 1 164 . 1 1 20 20 THR HG21 H 1 1.178 0.010 . 1 . . . . . . . . 6090 1 165 . 1 1 20 20 THR HG22 H 1 1.178 0.010 . 1 . . . . . . . . 6090 1 166 . 1 1 20 20 THR HG23 H 1 1.178 0.010 . 1 . . . . . . . . 6090 1 167 . 1 1 20 20 THR C C 13 172.317 0.100 . 1 . . . . . . . . 6090 1 168 . 1 1 20 20 THR CA C 13 58.910 0.100 . 1 . . . . . . . . 6090 1 169 . 1 1 20 20 THR CB C 13 70.255 0.100 . 1 . . . . . . . . 6090 1 170 . 1 1 20 20 THR CG2 C 13 22.181 0.100 . 1 . . . . . . . . 6090 1 171 . 1 1 20 20 THR N N 15 114.307 0.100 . 1 . . . . . . . . 6090 1 172 . 1 1 21 21 PRO HA H 1 4.374 0.010 . 1 . . . . . . . . 6090 1 173 . 1 1 21 21 PRO HB2 H 1 2.830 0.010 . 1 . . . . . . . . 6090 1 174 . 1 1 21 21 PRO HB3 H 1 2.830 0.010 . 1 . . . . . . . . 6090 1 175 . 1 1 21 21 PRO C C 13 177.237 0.100 . 1 . . . . . . . . 6090 1 176 . 1 1 21 21 PRO CA C 13 62.140 0.100 . 1 . . . . . . . . 6090 1 177 . 1 1 21 21 PRO CB C 13 33.289 0.100 . 1 . . . . . . . . 6090 1 178 . 1 1 22 22 MET H H 1 8.675 0.010 . 1 . . . . . . . . 6090 1 179 . 1 1 22 22 MET C C 13 175.492 0.100 . 1 . . . . . . . . 6090 1 180 . 1 1 22 22 MET CA C 13 52.899 0.100 . 1 . . . . . . . . 6090 1 181 . 1 1 22 22 MET CB C 13 32.613 0.100 . 1 . . . . . . . . 6090 1 182 . 1 1 22 22 MET N N 15 124.362 0.100 . 1 . . . . . . . . 6090 1 183 . 1 1 23 23 PRO HB2 H 1 2.250 0.010 . 1 . . . . . . . . 6090 1 184 . 1 1 23 23 PRO HB3 H 1 1.830 0.010 . 1 . . . . . . . . 6090 1 185 . 1 1 23 23 PRO HG2 H 1 1.922 0.010 . 1 . . . . . . . . 6090 1 186 . 1 1 23 23 PRO HG3 H 1 1.922 0.010 . 1 . . . . . . . . 6090 1 187 . 1 1 23 23 PRO HD2 H 1 3.687 0.010 . 1 . . . . . . . . 6090 1 188 . 1 1 23 23 PRO HD3 H 1 3.563 0.010 . 1 . . . . . . . . 6090 1 189 . 1 1 23 23 PRO C C 13 176.751 0.100 . 1 . . . . . . . . 6090 1 190 . 1 1 23 23 PRO CA C 13 63.656 0.100 . 1 . . . . . . . . 6090 1 191 . 1 1 23 23 PRO CB C 13 32.084 0.100 . 1 . . . . . . . . 6090 1 192 . 1 1 23 23 PRO CG C 13 27.700 0.100 . 1 . . . . . . . . 6090 1 193 . 1 1 23 23 PRO CD C 13 50.942 0.100 . 1 . . . . . . . . 6090 1 194 . 1 1 24 24 VAL H H 1 7.980 0.010 . 1 . . . . . . . . 6090 1 195 . 1 1 24 24 VAL HA H 1 4.245 0.010 . 1 . . . . . . . . 6090 1 196 . 1 1 24 24 VAL HB H 1 1.614 0.010 . 1 . . . . . . . . 6090 1 197 . 1 1 24 24 VAL HG11 H 1 0.817 0.010 . 1 . . . . . . . . 6090 1 198 . 1 1 24 24 VAL HG12 H 1 0.817 0.010 . 1 . . . . . . . . 6090 1 199 . 1 1 24 24 VAL HG13 H 1 0.817 0.010 . 1 . . . . . . . . 6090 1 200 . 1 1 24 24 VAL HG21 H 1 0.545 0.010 . 1 . . . . . . . . 6090 1 201 . 1 1 24 24 VAL HG22 H 1 0.545 0.010 . 1 . . . . . . . . 6090 1 202 . 1 1 24 24 VAL HG23 H 1 0.545 0.010 . 1 . . . . . . . . 6090 1 203 . 1 1 24 24 VAL C C 13 175.463 0.100 . 1 . . . . . . . . 6090 1 204 . 1 1 24 24 VAL CA C 13 61.124 0.100 . 1 . . . . . . . . 6090 1 205 . 1 1 24 24 VAL CB C 13 35.461 0.100 . 1 . . . . . . . . 6090 1 206 . 1 1 24 24 VAL CG1 C 13 22.030 0.100 . 1 . . . . . . . . 6090 1 207 . 1 1 24 24 VAL CG2 C 13 21.501 0.100 . 1 . . . . . . . . 6090 1 208 . 1 1 24 24 VAL N N 15 123.690 0.100 . 1 . . . . . . . . 6090 1 209 . 1 1 25 25 ALA H H 1 9.635 0.010 . 1 . . . . . . . . 6090 1 210 . 1 1 25 25 ALA HA H 1 4.156 0.010 . 1 . . . . . . . . 6090 1 211 . 1 1 25 25 ALA HB1 H 1 1.435 0.010 . 1 . . . . . . . . 6090 1 212 . 1 1 25 25 ALA HB2 H 1 1.435 0.010 . 1 . . . . . . . . 6090 1 213 . 1 1 25 25 ALA HB3 H 1 1.435 0.010 . 1 . . . . . . . . 6090 1 214 . 1 1 25 25 ALA C C 13 177.609 0.100 . 1 . . . . . . . . 6090 1 215 . 1 1 25 25 ALA CA C 13 52.851 0.100 . 1 . . . . . . . . 6090 1 216 . 1 1 25 25 ALA CB C 13 19.506 0.100 . 1 . . . . . . . . 6090 1 217 . 1 1 25 25 ALA N N 15 131.529 0.100 . 1 . . . . . . . . 6090 1 218 . 1 1 26 26 THR H H 1 7.939 0.010 . 1 . . . . . . . . 6090 1 219 . 1 1 26 26 THR HA H 1 3.948 0.010 . 1 . . . . . . . . 6090 1 220 . 1 1 26 26 THR HB H 1 4.092 0.010 . 1 . . . . . . . . 6090 1 221 . 1 1 26 26 THR HG21 H 1 1.206 0.010 . 1 . . . . . . . . 6090 1 222 . 1 1 26 26 THR HG22 H 1 1.206 0.010 . 1 . . . . . . . . 6090 1 223 . 1 1 26 26 THR HG23 H 1 1.206 0.010 . 1 . . . . . . . . 6090 1 224 . 1 1 26 26 THR C C 13 176.379 0.100 . 1 . . . . . . . . 6090 1 225 . 1 1 26 26 THR CA C 13 65.429 0.100 . 1 . . . . . . . . 6090 1 226 . 1 1 26 26 THR CB C 13 69.566 0.100 . 1 . . . . . . . . 6090 1 227 . 1 1 26 26 THR CG2 C 13 23.164 0.100 . 1 . . . . . . . . 6090 1 228 . 1 1 26 26 THR N N 15 111.494 0.100 . 1 . . . . . . . . 6090 1 229 . 1 1 27 27 LEU H H 1 7.652 0.010 . 1 . . . . . . . . 6090 1 230 . 1 1 27 27 LEU HA H 1 4.944 0.010 . 1 . . . . . . . . 6090 1 231 . 1 1 27 27 LEU HB2 H 1 1.540 0.010 . 1 . . . . . . . . 6090 1 232 . 1 1 27 27 LEU HB3 H 1 0.962 0.010 . 1 . . . . . . . . 6090 1 233 . 1 1 27 27 LEU HG H 1 1.475 0.010 . 1 . . . . . . . . 6090 1 234 . 1 1 27 27 LEU HD11 H 1 0.782 0.010 . 1 . . . . . . . . 6090 1 235 . 1 1 27 27 LEU HD12 H 1 0.782 0.010 . 1 . . . . . . . . 6090 1 236 . 1 1 27 27 LEU HD13 H 1 0.782 0.010 . 1 . . . . . . . . 6090 1 237 . 1 1 27 27 LEU HD21 H 1 0.692 0.010 . 1 . . . . . . . . 6090 1 238 . 1 1 27 27 LEU HD22 H 1 0.692 0.010 . 1 . . . . . . . . 6090 1 239 . 1 1 27 27 LEU HD23 H 1 0.692 0.010 . 1 . . . . . . . . 6090 1 240 . 1 1 27 27 LEU C C 13 177.094 0.100 . 1 . . . . . . . . 6090 1 241 . 1 1 27 27 LEU CA C 13 53.273 0.100 . 1 . . . . . . . . 6090 1 242 . 1 1 27 27 LEU CB C 13 44.831 0.100 . 1 . . . . . . . . 6090 1 243 . 1 1 27 27 LEU CG C 13 26.840 0.100 . 1 . . . . . . . . 6090 1 244 . 1 1 27 27 LEU CD1 C 13 25.722 0.100 . 1 . . . . . . . . 6090 1 245 . 1 1 27 27 LEU CD2 C 13 22.360 0.100 . 1 . . . . . . . . 6090 1 246 . 1 1 27 27 LEU N N 15 118.104 0.100 . 1 . . . . . . . . 6090 1 247 . 1 1 28 28 HIS H H 1 9.159 0.010 . 1 . . . . . . . . 6090 1 248 . 1 1 28 28 HIS HA H 1 4.129 0.010 . 1 . . . . . . . . 6090 1 249 . 1 1 28 28 HIS HB2 H 1 3.029 0.010 . 1 . . . . . . . . 6090 1 250 . 1 1 28 28 HIS HB3 H 1 2.700 0.010 . 1 . . . . . . . . 6090 1 251 . 1 1 28 28 HIS C C 13 178.496 0.100 . 1 . . . . . . . . 6090 1 252 . 1 1 28 28 HIS CA C 13 58.760 0.100 . 1 . . . . . . . . 6090 1 253 . 1 1 28 28 HIS CB C 13 33.097 0.100 . 1 . . . . . . . . 6090 1 254 . 1 1 28 28 HIS N N 15 125.952 0.100 . 1 . . . . . . . . 6090 1 255 . 1 1 29 29 ALA H H 1 8.460 0.010 . 1 . . . . . . . . 6090 1 256 . 1 1 29 29 ALA HA H 1 3.799 0.010 . 1 . . . . . . . . 6090 1 257 . 1 1 29 29 ALA HB1 H 1 1.123 0.010 . 1 . . . . . . . . 6090 1 258 . 1 1 29 29 ALA HB2 H 1 1.123 0.010 . 1 . . . . . . . . 6090 1 259 . 1 1 29 29 ALA HB3 H 1 1.123 0.010 . 1 . . . . . . . . 6090 1 260 . 1 1 29 29 ALA C C 13 177.208 0.100 . 1 . . . . . . . . 6090 1 261 . 1 1 29 29 ALA CA C 13 54.877 0.100 . 1 . . . . . . . . 6090 1 262 . 1 1 29 29 ALA CB C 13 19.590 0.100 . 1 . . . . . . . . 6090 1 263 . 1 1 29 29 ALA N N 15 129.449 0.100 . 1 . . . . . . . . 6090 1 264 . 1 1 30 30 VAL H H 1 7.691 0.010 . 1 . . . . . . . . 6090 1 265 . 1 1 30 30 VAL HA H 1 2.876 0.010 . 1 . . . . . . . . 6090 1 266 . 1 1 30 30 VAL HB H 1 1.195 0.010 . 1 . . . . . . . . 6090 1 267 . 1 1 30 30 VAL HG11 H 1 0.337 0.010 . 1 . . . . . . . . 6090 1 268 . 1 1 30 30 VAL HG12 H 1 0.337 0.010 . 1 . . . . . . . . 6090 1 269 . 1 1 30 30 VAL HG13 H 1 0.337 0.010 . 1 . . . . . . . . 6090 1 270 . 1 1 30 30 VAL HG21 H 1 -1.013 0.010 . 1 . . . . . . . . 6090 1 271 . 1 1 30 30 VAL HG22 H 1 -1.013 0.010 . 1 . . . . . . . . 6090 1 272 . 1 1 30 30 VAL HG23 H 1 -1.013 0.010 . 1 . . . . . . . . 6090 1 273 . 1 1 30 30 VAL C C 13 178.095 0.100 . 1 . . . . . . . . 6090 1 274 . 1 1 30 30 VAL CA C 13 63.994 0.100 . 1 . . . . . . . . 6090 1 275 . 1 1 30 30 VAL CB C 13 31.746 0.100 . 1 . . . . . . . . 6090 1 276 . 1 1 30 30 VAL CG1 C 13 20.866 0.100 . 1 . . . . . . . . 6090 1 277 . 1 1 30 30 VAL CG2 C 13 19.290 0.100 . 1 . . . . . . . . 6090 1 278 . 1 1 30 30 VAL N N 15 114.073 0.100 . 1 . . . . . . . . 6090 1 279 . 1 1 31 31 ASN H H 1 7.526 0.010 . 1 . . . . . . . . 6090 1 280 . 1 1 31 31 ASN HA H 1 4.409 0.010 . 1 . . . . . . . . 6090 1 281 . 1 1 31 31 ASN HB2 H 1 2.195 0.010 . 1 . . . . . . . . 6090 1 282 . 1 1 31 31 ASN HB3 H 1 2.195 0.010 . 1 . . . . . . . . 6090 1 283 . 1 1 31 31 ASN C C 13 177.208 0.100 . 1 . . . . . . . . 6090 1 284 . 1 1 31 31 ASN CA C 13 52.477 0.100 . 1 . . . . . . . . 6090 1 285 . 1 1 31 31 ASN CB C 13 39.453 0.100 . 1 . . . . . . . . 6090 1 286 . 1 1 31 31 ASN N N 15 113.002 0.100 . 1 . . . . . . . . 6090 1 287 . 1 1 32 32 GLY H H 1 7.485 0.010 . 1 . . . . . . . . 6090 1 288 . 1 1 32 32 GLY HA2 H 1 3.784 0.010 . 1 . . . . . . . . 6090 1 289 . 1 1 32 32 GLY HA3 H 1 3.784 0.010 . 1 . . . . . . . . 6090 1 290 . 1 1 32 32 GLY C C 13 174.348 0.100 . 1 . . . . . . . . 6090 1 291 . 1 1 32 32 GLY CA C 13 47.038 0.100 . 1 . . . . . . . . 6090 1 292 . 1 1 32 32 GLY N N 15 105.956 0.100 . 1 . . . . . . . . 6090 1 293 . 1 1 33 33 HIS H H 1 8.153 0.010 . 1 . . . . . . . . 6090 1 294 . 1 1 33 33 HIS HA H 1 4.736 0.010 . 1 . . . . . . . . 6090 1 295 . 1 1 33 33 HIS HB2 H 1 2.663 0.010 . 1 . . . . . . . . 6090 1 296 . 1 1 33 33 HIS HB3 H 1 2.040 0.010 . 1 . . . . . . . . 6090 1 297 . 1 1 33 33 HIS C C 13 174.805 0.100 . 1 . . . . . . . . 6090 1 298 . 1 1 33 33 HIS CA C 13 52.766 0.100 . 1 . . . . . . . . 6090 1 299 . 1 1 33 33 HIS CB C 13 29.045 0.100 . 1 . . . . . . . . 6090 1 300 . 1 1 33 33 HIS N N 15 117.558 0.100 . 1 . . . . . . . . 6090 1 301 . 1 1 34 34 SER H H 1 7.840 0.010 . 1 . . . . . . . . 6090 1 302 . 1 1 34 34 SER C C 13 177.552 0.100 . 1 . . . . . . . . 6090 1 303 . 1 1 34 34 SER CA C 13 59.435 0.100 . 1 . . . . . . . . 6090 1 304 . 1 1 34 34 SER CB C 13 63.741 0.100 . 1 . . . . . . . . 6090 1 305 . 1 1 34 34 SER N N 15 111.848 0.100 . 1 . . . . . . . . 6090 1 306 . 1 1 35 35 MET H H 1 8.193 0.010 . 1 . . . . . . . . 6090 1 307 . 1 1 35 35 MET HA H 1 4.632 0.010 . 1 . . . . . . . . 6090 1 308 . 1 1 35 35 MET C C 13 177.866 0.100 . 1 . . . . . . . . 6090 1 309 . 1 1 35 35 MET CA C 13 56.660 0.100 . 1 . . . . . . . . 6090 1 310 . 1 1 35 35 MET N N 15 124.521 0.100 . 1 . . . . . . . . 6090 1 311 . 1 1 36 36 THR H H 1 8.071 0.010 . 1 . . . . . . . . 6090 1 312 . 1 1 36 36 THR HA H 1 4.379 0.010 . 1 . . . . . . . . 6090 1 313 . 1 1 36 36 THR HB H 1 4.001 0.010 . 1 . . . . . . . . 6090 1 314 . 1 1 36 36 THR HG21 H 1 0.849 0.010 . 1 . . . . . . . . 6090 1 315 . 1 1 36 36 THR HG22 H 1 0.849 0.010 . 1 . . . . . . . . 6090 1 316 . 1 1 36 36 THR HG23 H 1 0.849 0.010 . 1 . . . . . . . . 6090 1 317 . 1 1 36 36 THR C C 13 175.521 0.100 . 1 . . . . . . . . 6090 1 318 . 1 1 36 36 THR CA C 13 62.728 0.100 . 1 . . . . . . . . 6090 1 319 . 1 1 36 36 THR CB C 13 70.494 0.100 . 1 . . . . . . . . 6090 1 320 . 1 1 36 36 THR N N 15 107.958 0.100 . 1 . . . . . . . . 6090 1 321 . 1 1 37 37 ASN H H 1 8.300 0.010 . 1 . . . . . . . . 6090 1 322 . 1 1 37 37 ASN HA H 1 4.409 0.010 . 1 . . . . . . . . 6090 1 323 . 1 1 37 37 ASN C C 13 174.920 0.100 . 1 . . . . . . . . 6090 1 324 . 1 1 37 37 ASN CA C 13 54.961 0.100 . 1 . . . . . . . . 6090 1 325 . 1 1 37 37 ASN CB C 13 39.682 0.100 . 1 . . . . . . . . 6090 1 326 . 1 1 37 37 ASN N N 15 121.850 0.100 . 1 . . . . . . . . 6090 1 327 . 1 1 38 38 VAL H H 1 8.244 0.010 . 1 . . . . . . . . 6090 1 328 . 1 1 38 38 VAL HA H 1 4.096 0.010 . 1 . . . . . . . . 6090 1 329 . 1 1 38 38 VAL HB H 1 1.867 0.010 . 1 . . . . . . . . 6090 1 330 . 1 1 38 38 VAL HG11 H 1 0.754 0.010 . 1 . . . . . . . . 6090 1 331 . 1 1 38 38 VAL HG12 H 1 0.754 0.010 . 1 . . . . . . . . 6090 1 332 . 1 1 38 38 VAL HG13 H 1 0.754 0.010 . 1 . . . . . . . . 6090 1 333 . 1 1 38 38 VAL HG21 H 1 0.482 0.010 . 1 . . . . . . . . 6090 1 334 . 1 1 38 38 VAL HG22 H 1 0.482 0.010 . 1 . . . . . . . . 6090 1 335 . 1 1 38 38 VAL HG23 H 1 0.482 0.010 . 1 . . . . . . . . 6090 1 336 . 1 1 38 38 VAL C C 13 173.890 0.100 . 1 . . . . . . . . 6090 1 337 . 1 1 38 38 VAL CA C 13 59.773 0.100 . 1 . . . . . . . . 6090 1 338 . 1 1 38 38 VAL CB C 13 32.590 0.100 . 1 . . . . . . . . 6090 1 339 . 1 1 38 38 VAL CG1 C 13 21.389 0.100 . 1 . . . . . . . . 6090 1 340 . 1 1 38 38 VAL CG2 C 13 21.240 0.100 . 1 . . . . . . . . 6090 1 341 . 1 1 38 38 VAL N N 15 124.629 0.100 . 1 . . . . . . . . 6090 1 342 . 1 1 39 39 PRO C C 13 175.549 0.100 . 1 . . . . . . . . 6090 1 343 . 1 1 39 39 PRO CA C 13 63.150 0.100 . 1 . . . . . . . . 6090 1 344 . 1 1 39 39 PRO CB C 13 32.506 0.100 . 1 . . . . . . . . 6090 1 345 . 1 1 40 40 ASP H H 1 8.102 0.010 . 1 . . . . . . . . 6090 1 346 . 1 1 40 40 ASP HA H 1 4.141 0.010 . 1 . . . . . . . . 6090 1 347 . 1 1 40 40 ASP HB2 H 1 2.440 0.010 . 1 . . . . . . . . 6090 1 348 . 1 1 40 40 ASP HB3 H 1 2.440 0.010 . 1 . . . . . . . . 6090 1 349 . 1 1 40 40 ASP C C 13 177.609 0.100 . 1 . . . . . . . . 6090 1 350 . 1 1 40 40 ASP CA C 13 56.818 0.100 . 1 . . . . . . . . 6090 1 351 . 1 1 40 40 ASP CB C 13 40.948 0.100 . 1 . . . . . . . . 6090 1 352 . 1 1 40 40 ASP N N 15 121.256 0.100 . 1 . . . . . . . . 6090 1 353 . 1 1 41 41 GLY H H 1 8.511 0.010 . 1 . . . . . . . . 6090 1 354 . 1 1 41 41 GLY HA2 H 1 4.126 0.010 . 1 . . . . . . . . 6090 1 355 . 1 1 41 41 GLY HA3 H 1 3.461 0.010 . 1 . . . . . . . . 6090 1 356 . 1 1 41 41 GLY C C 13 175.206 0.100 . 1 . . . . . . . . 6090 1 357 . 1 1 41 41 GLY CA C 13 45.506 0.100 . 1 . . . . . . . . 6090 1 358 . 1 1 41 41 GLY N N 15 112.593 0.100 . 1 . . . . . . . . 6090 1 359 . 1 1 42 42 MET H H 1 7.770 0.010 . 1 . . . . . . . . 6090 1 360 . 1 1 42 42 MET HA H 1 4.498 0.010 . 1 . . . . . . . . 6090 1 361 . 1 1 42 42 MET C C 13 174.748 0.100 . 1 . . . . . . . . 6090 1 362 . 1 1 42 42 MET CA C 13 56.987 0.100 . 1 . . . . . . . . 6090 1 363 . 1 1 42 42 MET CB C 13 31.915 0.100 . 1 . . . . . . . . 6090 1 364 . 1 1 42 42 MET N N 15 118.107 0.100 . 1 . . . . . . . . 6090 1 365 . 1 1 43 43 GLU H H 1 8.173 0.010 . 1 . . . . . . . . 6090 1 366 . 1 1 43 43 GLU HA H 1 4.334 0.010 . 1 . . . . . . . . 6090 1 367 . 1 1 43 43 GLU C C 13 173.318 0.100 . 1 . . . . . . . . 6090 1 368 . 1 1 43 43 GLU CA C 13 55.130 0.100 . 1 . . . . . . . . 6090 1 369 . 1 1 43 43 GLU CB C 13 34.110 0.100 . 1 . . . . . . . . 6090 1 370 . 1 1 43 43 GLU N N 15 118.666 0.100 . 1 . . . . . . . . 6090 1 371 . 1 1 44 44 ILE H H 1 7.493 0.010 . 1 . . . . . . . . 6090 1 372 . 1 1 44 44 ILE HA H 1 5.257 0.010 . 1 . . . . . . . . 6090 1 373 . 1 1 44 44 ILE HB H 1 1.315 0.010 . 1 . . . . . . . . 6090 1 374 . 1 1 44 44 ILE HG12 H 1 1.380 0.010 . 1 . . . . . . . . 6090 1 375 . 1 1 44 44 ILE HG13 H 1 0.656 0.010 . 1 . . . . . . . . 6090 1 376 . 1 1 44 44 ILE HG21 H 1 0.531 0.010 . 1 . . . . . . . . 6090 1 377 . 1 1 44 44 ILE HG22 H 1 0.531 0.010 . 1 . . . . . . . . 6090 1 378 . 1 1 44 44 ILE HG23 H 1 0.531 0.010 . 1 . . . . . . . . 6090 1 379 . 1 1 44 44 ILE HD11 H 1 0.698 0.010 . 1 . . . . . . . . 6090 1 380 . 1 1 44 44 ILE HD12 H 1 0.698 0.010 . 1 . . . . . . . . 6090 1 381 . 1 1 44 44 ILE HD13 H 1 0.698 0.010 . 1 . . . . . . . . 6090 1 382 . 1 1 44 44 ILE C C 13 176.093 0.100 . 1 . . . . . . . . 6090 1 383 . 1 1 44 44 ILE CA C 13 60.195 0.100 . 1 . . . . . . . . 6090 1 384 . 1 1 44 44 ILE CB C 13 41.792 0.100 . 1 . . . . . . . . 6090 1 385 . 1 1 44 44 ILE CG1 C 13 28.480 0.100 . 1 . . . . . . . . 6090 1 386 . 1 1 44 44 ILE CG2 C 13 19.220 0.100 . 1 . . . . . . . . 6090 1 387 . 1 1 44 44 ILE CD1 C 13 14.889 0.100 . 1 . . . . . . . . 6090 1 388 . 1 1 44 44 ILE N N 15 117.582 0.100 . 1 . . . . . . . . 6090 1 389 . 1 1 45 45 ALA H H 1 9.500 0.010 . 1 . . . . . . . . 6090 1 390 . 1 1 45 45 ALA HA H 1 4.885 0.010 . 1 . . . . . . . . 6090 1 391 . 1 1 45 45 ALA HB1 H 1 1.105 0.010 . 1 . . . . . . . . 6090 1 392 . 1 1 45 45 ALA HB2 H 1 1.105 0.010 . 1 . . . . . . . . 6090 1 393 . 1 1 45 45 ALA HB3 H 1 1.105 0.010 . 1 . . . . . . . . 6090 1 394 . 1 1 45 45 ALA C C 13 175.435 0.100 . 1 . . . . . . . . 6090 1 395 . 1 1 45 45 ALA CA C 13 50.572 0.100 . 1 . . . . . . . . 6090 1 396 . 1 1 45 45 ALA CB C 13 23.558 0.100 . 1 . . . . . . . . 6090 1 397 . 1 1 45 45 ALA N N 15 128.325 0.100 . 1 . . . . . . . . 6090 1 398 . 1 1 46 46 ILE H H 1 7.343 0.010 . 1 . . . . . . . . 6090 1 399 . 1 1 46 46 ILE HA H 1 4.944 0.010 . 1 . . . . . . . . 6090 1 400 . 1 1 46 46 ILE HB H 1 1.719 0.010 . 1 . . . . . . . . 6090 1 401 . 1 1 46 46 ILE HG21 H 1 0.809 0.010 . 1 . . . . . . . . 6090 1 402 . 1 1 46 46 ILE HG22 H 1 0.809 0.010 . 1 . . . . . . . . 6090 1 403 . 1 1 46 46 ILE HG23 H 1 0.809 0.010 . 1 . . . . . . . . 6090 1 404 . 1 1 46 46 ILE HD11 H 1 0.634 0.010 . 1 . . . . . . . . 6090 1 405 . 1 1 46 46 ILE HD12 H 1 0.634 0.010 . 1 . . . . . . . . 6090 1 406 . 1 1 46 46 ILE HD13 H 1 0.634 0.010 . 1 . . . . . . . . 6090 1 407 . 1 1 46 46 ILE C C 13 175.664 0.100 . 1 . . . . . . . . 6090 1 408 . 1 1 46 46 ILE CA C 13 60.364 0.100 . 1 . . . . . . . . 6090 1 409 . 1 1 46 46 ILE CB C 13 40.695 0.100 . 1 . . . . . . . . 6090 1 410 . 1 1 46 46 ILE CG2 C 13 19.372 0.100 . 1 . . . . . . . . 6090 1 411 . 1 1 46 46 ILE CD1 C 13 17.504 0.100 . 1 . . . . . . . . 6090 1 412 . 1 1 46 46 ILE N N 15 118.924 0.100 . 1 . . . . . . . . 6090 1 413 . 1 1 47 47 PHE H H 1 7.864 0.010 . 1 . . . . . . . . 6090 1 414 . 1 1 47 47 PHE HA H 1 5.078 0.010 . 1 . . . . . . . . 6090 1 415 . 1 1 47 47 PHE HB2 H 1 3.112 0.010 . 1 . . . . . . . . 6090 1 416 . 1 1 47 47 PHE HB3 H 1 2.280 0.010 . 1 . . . . . . . . 6090 1 417 . 1 1 47 47 PHE C C 13 173.518 0.100 . 1 . . . . . . . . 6090 1 418 . 1 1 47 47 PHE CA C 13 56.059 0.100 . 1 . . . . . . . . 6090 1 419 . 1 1 47 47 PHE CB C 13 46.097 0.100 . 1 . . . . . . . . 6090 1 420 . 1 1 47 47 PHE N N 15 123.232 0.100 . 1 . . . . . . . . 6090 1 421 . 1 1 48 48 ALA H H 1 9.426 0.010 . 1 . . . . . . . . 6090 1 422 . 1 1 48 48 ALA HA H 1 5.123 0.010 . 1 . . . . . . . . 6090 1 423 . 1 1 48 48 ALA HB1 H 1 1.613 0.010 . 1 . . . . . . . . 6090 1 424 . 1 1 48 48 ALA HB2 H 1 1.613 0.010 . 1 . . . . . . . . 6090 1 425 . 1 1 48 48 ALA HB3 H 1 1.613 0.010 . 1 . . . . . . . . 6090 1 426 . 1 1 48 48 ALA C C 13 176.350 0.100 . 1 . . . . . . . . 6090 1 427 . 1 1 48 48 ALA CA C 13 52.598 0.100 . 1 . . . . . . . . 6090 1 428 . 1 1 48 48 ALA CB C 13 23.389 0.100 . 1 . . . . . . . . 6090 1 429 . 1 1 48 48 ALA N N 15 125.244 0.100 . 1 . . . . . . . . 6090 1 430 . 1 1 49 49 MET H H 1 9.356 0.010 . 1 . . . . . . . . 6090 1 431 . 1 1 49 49 MET HA H 1 3.873 0.010 . 1 . . . . . . . . 6090 1 432 . 1 1 49 49 MET HE1 H 1 1.593 0.010 . 1 . . . . . . . . 6090 1 433 . 1 1 49 49 MET HE2 H 1 1.593 0.010 . 1 . . . . . . . . 6090 1 434 . 1 1 49 49 MET HE3 H 1 1.593 0.010 . 1 . . . . . . . . 6090 1 435 . 1 1 49 49 MET C C 13 172.946 0.100 . 1 . . . . . . . . 6090 1 436 . 1 1 49 49 MET CA C 13 55.046 0.100 . 1 . . . . . . . . 6090 1 437 . 1 1 49 49 MET CE C 13 16.425 0.100 . 1 . . . . . . . . 6090 1 438 . 1 1 49 49 MET N N 15 121.804 0.100 . 1 . . . . . . . . 6090 1 439 . 1 1 50 50 GLY H H 1 9.387 0.010 . 1 . . . . . . . . 6090 1 440 . 1 1 50 50 GLY C C 13 173.604 0.100 . 1 . . . . . . . . 6090 1 441 . 1 1 50 50 GLY CA C 13 43.227 0.100 . 1 . . . . . . . . 6090 1 442 . 1 1 50 50 GLY N N 15 109.083 0.100 . 1 . . . . . . . . 6090 1 443 . 1 1 51 51 CYS H H 1 9.140 0.010 . 1 . . . . . . . . 6090 1 444 . 1 1 51 51 CYS C C 13 179.697 0.100 . 1 . . . . . . . . 6090 1 445 . 1 1 51 51 CYS CA C 13 59.206 0.100 . 1 . . . . . . . . 6090 1 446 . 1 1 51 51 CYS N N 15 121.530 0.100 . 1 . . . . . . . . 6090 1 447 . 1 1 53 53 TRP H H 1 7.809 0.010 . 1 . . . . . . . . 6090 1 448 . 1 1 53 53 TRP HA H 1 3.977 0.010 . 1 . . . . . . . . 6090 1 449 . 1 1 53 53 TRP C C 13 181.156 0.100 . 1 . . . . . . . . 6090 1 450 . 1 1 53 53 TRP CA C 13 58.230 0.100 . 1 . . . . . . . . 6090 1 451 . 1 1 53 53 TRP CB C 13 29.168 0.100 . 1 . . . . . . . . 6090 1 452 . 1 1 53 53 TRP N N 15 123.767 0.100 . 1 . . . . . . . . 6090 1 453 . 1 1 54 54 GLY H H 1 8.368 0.010 . 1 . . . . . . . . 6090 1 454 . 1 1 54 54 GLY HA2 H 1 3.705 0.010 . 1 . . . . . . . . 6090 1 455 . 1 1 54 54 GLY HA3 H 1 3.705 0.010 . 1 . . . . . . . . 6090 1 456 . 1 1 54 54 GLY C C 13 176.264 0.100 . 1 . . . . . . . . 6090 1 457 . 1 1 54 54 GLY CA C 13 47.619 0.100 . 1 . . . . . . . . 6090 1 458 . 1 1 54 54 GLY N N 15 106.403 0.100 . 1 . . . . . . . . 6090 1 459 . 1 1 55 55 VAL H H 1 6.911 0.010 . 1 . . . . . . . . 6090 1 460 . 1 1 55 55 VAL HA H 1 3.353 0.010 . 1 . . . . . . . . 6090 1 461 . 1 1 55 55 VAL HB H 1 1.985 0.010 . 1 . . . . . . . . 6090 1 462 . 1 1 55 55 VAL HG11 H 1 1.199 0.010 . 1 . . . . . . . . 6090 1 463 . 1 1 55 55 VAL HG12 H 1 1.199 0.010 . 1 . . . . . . . . 6090 1 464 . 1 1 55 55 VAL HG13 H 1 1.199 0.010 . 1 . . . . . . . . 6090 1 465 . 1 1 55 55 VAL HG21 H 1 0.837 0.010 . 1 . . . . . . . . 6090 1 466 . 1 1 55 55 VAL HG22 H 1 0.837 0.010 . 1 . . . . . . . . 6090 1 467 . 1 1 55 55 VAL HG23 H 1 0.837 0.010 . 1 . . . . . . . . 6090 1 468 . 1 1 55 55 VAL C C 13 177.409 0.100 . 1 . . . . . . . . 6090 1 469 . 1 1 55 55 VAL CA C 13 66.273 0.100 . 1 . . . . . . . . 6090 1 470 . 1 1 55 55 VAL CB C 13 32.980 0.100 . 1 . . . . . . . . 6090 1 471 . 1 1 55 55 VAL CG1 C 13 22.958 0.100 . 1 . . . . . . . . 6090 1 472 . 1 1 55 55 VAL CG2 C 13 24.303 0.100 . 1 . . . . . . . . 6090 1 473 . 1 1 55 55 VAL N N 15 121.263 0.100 . 1 . . . . . . . . 6090 1 474 . 1 1 56 56 GLU H H 1 8.808 0.010 . 1 . . . . . . . . 6090 1 475 . 1 1 56 56 GLU C C 13 178.152 0.100 . 1 . . . . . . . . 6090 1 476 . 1 1 56 56 GLU CA C 13 61.870 0.100 . 1 . . . . . . . . 6090 1 477 . 1 1 56 56 GLU CB C 13 28.853 0.100 . 1 . . . . . . . . 6090 1 478 . 1 1 56 56 GLU N N 15 119.821 0.100 . 1 . . . . . . . . 6090 1 479 . 1 1 57 57 ARG H H 1 6.349 0.010 . 1 . . . . . . . . 6090 1 480 . 1 1 57 57 ARG C C 13 176.436 0.100 . 1 . . . . . . . . 6090 1 481 . 1 1 57 57 ARG CA C 13 57.494 0.100 . 1 . . . . . . . . 6090 1 482 . 1 1 57 57 ARG CB C 13 31.240 0.100 . 1 . . . . . . . . 6090 1 483 . 1 1 57 57 ARG N N 15 115.728 0.100 . 1 . . . . . . . . 6090 1 484 . 1 1 58 58 LEU H H 1 6.766 0.010 . 1 . . . . . . . . 6090 1 485 . 1 1 58 58 LEU HA H 1 3.427 0.010 . 1 . . . . . . . . 6090 1 486 . 1 1 58 58 LEU HB2 H 1 1.476 0.010 . 1 . . . . . . . . 6090 1 487 . 1 1 58 58 LEU HB3 H 1 1.200 0.010 . 1 . . . . . . . . 6090 1 488 . 1 1 58 58 LEU HG H 1 0.778 0.010 . 1 . . . . . . . . 6090 1 489 . 1 1 58 58 LEU HD11 H 1 0.436 0.010 . 1 . . . . . . . . 6090 1 490 . 1 1 58 58 LEU HD12 H 1 0.436 0.010 . 1 . . . . . . . . 6090 1 491 . 1 1 58 58 LEU HD13 H 1 0.436 0.010 . 1 . . . . . . . . 6090 1 492 . 1 1 58 58 LEU HD21 H 1 0.259 0.010 . 1 . . . . . . . . 6090 1 493 . 1 1 58 58 LEU HD22 H 1 0.259 0.010 . 1 . . . . . . . . 6090 1 494 . 1 1 58 58 LEU HD23 H 1 0.259 0.010 . 1 . . . . . . . . 6090 1 495 . 1 1 58 58 LEU C C 13 178.925 0.100 . 1 . . . . . . . . 6090 1 496 . 1 1 58 58 LEU CA C 13 57.578 0.100 . 1 . . . . . . . . 6090 1 497 . 1 1 58 58 LEU CB C 13 42.552 0.100 . 1 . . . . . . . . 6090 1 498 . 1 1 58 58 LEU CG C 13 26.213 0.100 . 1 . . . . . . . . 6090 1 499 . 1 1 58 58 LEU CD1 C 13 24.150 0.100 . 1 . . . . . . . . 6090 1 500 . 1 1 58 58 LEU CD2 C 13 26.213 0.100 . 1 . . . . . . . . 6090 1 501 . 1 1 58 58 LEU N N 15 117.330 0.100 . 1 . . . . . . . . 6090 1 502 . 1 1 59 59 PHE H H 1 6.967 0.010 . 1 . . . . . . . . 6090 1 503 . 1 1 59 59 PHE HA H 1 4.349 0.010 . 1 . . . . . . . . 6090 1 504 . 1 1 59 59 PHE HB2 H 1 2.875 0.010 . 1 . . . . . . . . 6090 1 505 . 1 1 59 59 PHE HB3 H 1 2.875 0.010 . 1 . . . . . . . . 6090 1 506 . 1 1 59 59 PHE C C 13 179.440 0.100 . 1 . . . . . . . . 6090 1 507 . 1 1 59 59 PHE CA C 13 62.306 0.100 . 1 . . . . . . . . 6090 1 508 . 1 1 59 59 PHE CB C 13 41.708 0.100 . 1 . . . . . . . . 6090 1 509 . 1 1 59 59 PHE N N 15 110.219 0.100 . 1 . . . . . . . . 6090 1 510 . 1 1 60 60 TRP H H 1 8.473 0.010 . 1 . . . . . . . . 6090 1 511 . 1 1 60 60 TRP HA H 1 4.602 0.010 . 1 . . . . . . . . 6090 1 512 . 1 1 60 60 TRP HB2 H 1 3.752 0.010 . 1 . . . . . . . . 6090 1 513 . 1 1 60 60 TRP HB3 H 1 3.402 0.010 . 1 . . . . . . . . 6090 1 514 . 1 1 60 60 TRP C C 13 178.238 0.100 . 1 . . . . . . . . 6090 1 515 . 1 1 60 60 TRP CA C 13 60.702 0.100 . 1 . . . . . . . . 6090 1 516 . 1 1 60 60 TRP CB C 13 25.162 0.100 . 1 . . . . . . . . 6090 1 517 . 1 1 60 60 TRP N N 15 116.441 0.100 . 1 . . . . . . . . 6090 1 518 . 1 1 61 61 GLN H H 1 6.821 0.010 . 1 . . . . . . . . 6090 1 519 . 1 1 61 61 GLN HA H 1 4.364 0.010 . 1 . . . . . . . . 6090 1 520 . 1 1 61 61 GLN HB2 H 1 2.171 0.010 . 1 . . . . . . . . 6090 1 521 . 1 1 61 61 GLN HB3 H 1 1.775 0.010 . 1 . . . . . . . . 6090 1 522 . 1 1 61 61 GLN HG2 H 1 2.419 0.010 . 1 . . . . . . . . 6090 1 523 . 1 1 61 61 GLN HG3 H 1 2.165 0.010 . 1 . . . . . . . . 6090 1 524 . 1 1 61 61 GLN C C 13 176.608 0.100 . 1 . . . . . . . . 6090 1 525 . 1 1 61 61 GLN CA C 13 56.650 0.100 . 1 . . . . . . . . 6090 1 526 . 1 1 61 61 GLN CB C 13 31.071 0.100 . 1 . . . . . . . . 6090 1 527 . 1 1 61 61 GLN CG C 13 35.950 0.100 . 1 . . . . . . . . 6090 1 528 . 1 1 61 61 GLN N N 15 117.935 0.100 . 1 . . . . . . . . 6090 1 529 . 1 1 62 62 LEU H H 1 7.369 0.010 . 1 . . . . . . . . 6090 1 530 . 1 1 62 62 LEU HA H 1 4.483 0.010 . 1 . . . . . . . . 6090 1 531 . 1 1 62 62 LEU HB2 H 1 1.190 0.010 . 1 . . . . . . . . 6090 1 532 . 1 1 62 62 LEU HB3 H 1 1.190 0.010 . 1 . . . . . . . . 6090 1 533 . 1 1 62 62 LEU HD11 H 1 0.696 0.010 . 1 . . . . . . . . 6090 1 534 . 1 1 62 62 LEU HD12 H 1 0.696 0.010 . 1 . . . . . . . . 6090 1 535 . 1 1 62 62 LEU HD13 H 1 0.696 0.010 . 1 . . . . . . . . 6090 1 536 . 1 1 62 62 LEU C C 13 175.549 0.100 . 1 . . . . . . . . 6090 1 537 . 1 1 62 62 LEU CA C 13 53.526 0.100 . 1 . . . . . . . . 6090 1 538 . 1 1 62 62 LEU CB C 13 41.539 0.100 . 1 . . . . . . . . 6090 1 539 . 1 1 62 62 LEU CD1 C 13 23.143 0.100 . 1 . . . . . . . . 6090 1 540 . 1 1 62 62 LEU N N 15 122.324 0.100 . 1 . . . . . . . . 6090 1 541 . 1 1 63 63 PRO HA H 1 4.336 0.010 . 1 . . . . . . . . 6090 1 542 . 1 1 63 63 PRO C C 13 176.722 0.100 . 1 . . . . . . . . 6090 1 543 . 1 1 63 63 PRO CA C 13 63.910 0.100 . 1 . . . . . . . . 6090 1 544 . 1 1 63 63 PRO CB C 13 31.577 0.100 . 1 . . . . . . . . 6090 1 545 . 1 1 64 64 GLY H H 1 8.567 0.010 . 1 . . . . . . . . 6090 1 546 . 1 1 64 64 GLY HA2 H 1 4.349 0.010 . 1 . . . . . . . . 6090 1 547 . 1 1 64 64 GLY HA3 H 1 3.546 0.010 . 1 . . . . . . . . 6090 1 548 . 1 1 64 64 GLY C C 13 175.692 0.100 . 1 . . . . . . . . 6090 1 549 . 1 1 64 64 GLY CA C 13 46.435 0.100 . 1 . . . . . . . . 6090 1 550 . 1 1 64 64 GLY N N 15 109.285 0.100 . 1 . . . . . . . . 6090 1 551 . 1 1 65 65 VAL H H 1 7.661 0.010 . 1 . . . . . . . . 6090 1 552 . 1 1 65 65 VAL HA H 1 4.126 0.010 . 1 . . . . . . . . 6090 1 553 . 1 1 65 65 VAL HB H 1 2.401 0.010 . 1 . . . . . . . . 6090 1 554 . 1 1 65 65 VAL HG11 H 1 1.053 0.010 . 1 . . . . . . . . 6090 1 555 . 1 1 65 65 VAL HG12 H 1 1.053 0.010 . 1 . . . . . . . . 6090 1 556 . 1 1 65 65 VAL HG13 H 1 1.053 0.010 . 1 . . . . . . . . 6090 1 557 . 1 1 65 65 VAL HG21 H 1 0.879 0.010 . 1 . . . . . . . . 6090 1 558 . 1 1 65 65 VAL HG22 H 1 0.879 0.010 . 1 . . . . . . . . 6090 1 559 . 1 1 65 65 VAL HG23 H 1 0.879 0.010 . 1 . . . . . . . . 6090 1 560 . 1 1 65 65 VAL C C 13 175.921 0.100 . 1 . . . . . . . . 6090 1 561 . 1 1 65 65 VAL CA C 13 64.754 0.100 . 1 . . . . . . . . 6090 1 562 . 1 1 65 65 VAL CB C 13 31.492 0.100 . 1 . . . . . . . . 6090 1 563 . 1 1 65 65 VAL CG1 C 13 23.705 0.100 . 1 . . . . . . . . 6090 1 564 . 1 1 65 65 VAL CG2 C 13 23.033 0.100 . 1 . . . . . . . . 6090 1 565 . 1 1 65 65 VAL N N 15 122.893 0.100 . 1 . . . . . . . . 6090 1 566 . 1 1 66 66 TYR H H 1 9.599 0.010 . 1 . . . . . . . . 6090 1 567 . 1 1 66 66 TYR HA H 1 4.320 0.010 . 1 . . . . . . . . 6090 1 568 . 1 1 66 66 TYR HB2 H 1 3.124 0.010 . 1 . . . . . . . . 6090 1 569 . 1 1 66 66 TYR HB3 H 1 2.538 0.010 . 1 . . . . . . . . 6090 1 570 . 1 1 66 66 TYR C C 13 176.951 0.100 . 1 . . . . . . . . 6090 1 571 . 1 1 66 66 TYR CA C 13 60.533 0.100 . 1 . . . . . . . . 6090 1 572 . 1 1 66 66 TYR CB C 13 41.286 0.100 . 1 . . . . . . . . 6090 1 573 . 1 1 66 66 TYR N N 15 132.918 0.100 . 1 . . . . . . . . 6090 1 574 . 1 1 67 67 SER H H 1 8.215 0.010 . 1 . . . . . . . . 6090 1 575 . 1 1 67 67 SER HA H 1 3.992 0.010 . 1 . . . . . . . . 6090 1 576 . 1 1 67 67 SER HB2 H 1 3.740 0.010 . 1 . . . . . . . . 6090 1 577 . 1 1 67 67 SER HB3 H 1 3.740 0.010 . 1 . . . . . . . . 6090 1 578 . 1 1 67 67 SER C C 13 171.630 0.100 . 1 . . . . . . . . 6090 1 579 . 1 1 67 67 SER CA C 13 58.169 0.100 . 1 . . . . . . . . 6090 1 580 . 1 1 67 67 SER CB C 13 65.345 0.100 . 1 . . . . . . . . 6090 1 581 . 1 1 67 67 SER N N 15 111.589 0.100 . 1 . . . . . . . . 6090 1 582 . 1 1 68 68 THR H H 1 7.002 0.010 . 1 . . . . . . . . 6090 1 583 . 1 1 68 68 THR HA H 1 5.599 0.010 . 1 . . . . . . . . 6090 1 584 . 1 1 68 68 THR HB H 1 4.467 0.010 . 1 . . . . . . . . 6090 1 585 . 1 1 68 68 THR HG21 H 1 1.338 0.010 . 1 . . . . . . . . 6090 1 586 . 1 1 68 68 THR HG22 H 1 1.338 0.010 . 1 . . . . . . . . 6090 1 587 . 1 1 68 68 THR HG23 H 1 1.338 0.010 . 1 . . . . . . . . 6090 1 588 . 1 1 68 68 THR C C 13 172.803 0.100 . 1 . . . . . . . . 6090 1 589 . 1 1 68 68 THR CA C 13 60.870 0.100 . 1 . . . . . . . . 6090 1 590 . 1 1 68 68 THR CB C 13 73.195 0.100 . 1 . . . . . . . . 6090 1 591 . 1 1 68 68 THR CG2 C 13 23.780 0.100 . 1 . . . . . . . . 6090 1 592 . 1 1 68 68 THR N N 15 110.131 0.100 . 1 . . . . . . . . 6090 1 593 . 1 1 69 69 ALA H H 1 8.001 0.010 . 1 . . . . . . . . 6090 1 594 . 1 1 69 69 ALA HA H 1 4.811 0.010 . 1 . . . . . . . . 6090 1 595 . 1 1 69 69 ALA HB1 H 1 1.356 0.010 . 1 . . . . . . . . 6090 1 596 . 1 1 69 69 ALA HB2 H 1 1.356 0.010 . 1 . . . . . . . . 6090 1 597 . 1 1 69 69 ALA HB3 H 1 1.356 0.010 . 1 . . . . . . . . 6090 1 598 . 1 1 69 69 ALA C C 13 176.465 0.100 . 1 . . . . . . . . 6090 1 599 . 1 1 69 69 ALA CA C 13 52.175 0.100 . 1 . . . . . . . . 6090 1 600 . 1 1 69 69 ALA CB C 13 23.980 0.100 . 1 . . . . . . . . 6090 1 601 . 1 1 69 69 ALA N N 15 116.866 0.100 . 1 . . . . . . . . 6090 1 602 . 1 1 70 70 ALA H H 1 9.363 0.010 . 1 . . . . . . . . 6090 1 603 . 1 1 70 70 ALA HA H 1 4.751 0.010 . 1 . . . . . . . . 6090 1 604 . 1 1 70 70 ALA HB1 H 1 0.305 0.010 . 1 . . . . . . . . 6090 1 605 . 1 1 70 70 ALA HB2 H 1 0.305 0.010 . 1 . . . . . . . . 6090 1 606 . 1 1 70 70 ALA HB3 H 1 0.305 0.010 . 1 . . . . . . . . 6090 1 607 . 1 1 70 70 ALA C C 13 178.610 0.100 . 1 . . . . . . . . 6090 1 608 . 1 1 70 70 ALA CA C 13 51.162 0.100 . 1 . . . . . . . . 6090 1 609 . 1 1 70 70 ALA CB C 13 17.986 0.100 . 1 . . . . . . . . 6090 1 610 . 1 1 70 70 ALA N N 15 126.369 0.100 . 1 . . . . . . . . 6090 1 611 . 1 1 71 71 GLY H H 1 8.876 0.010 . 1 . . . . . . . . 6090 1 612 . 1 1 71 71 GLY HA2 H 1 3.460 0.010 . 1 . . . . . . . . 6090 1 613 . 1 1 71 71 GLY HA3 H 1 3.130 0.010 . 1 . . . . . . . . 6090 1 614 . 1 1 71 71 GLY C C 13 169.942 0.100 . 1 . . . . . . . . 6090 1 615 . 1 1 71 71 GLY CA C 13 47.701 0.100 . 1 . . . . . . . . 6090 1 616 . 1 1 71 71 GLY N N 15 112.280 0.100 . 1 . . . . . . . . 6090 1 617 . 1 1 72 72 TYR H H 1 8.741 0.010 . 1 . . . . . . . . 6090 1 618 . 1 1 72 72 TYR HA H 1 5.525 0.010 . 1 . . . . . . . . 6090 1 619 . 1 1 72 72 TYR C C 13 175.149 0.100 . 1 . . . . . . . . 6090 1 620 . 1 1 72 72 TYR CA C 13 53.442 0.100 . 1 . . . . . . . . 6090 1 621 . 1 1 72 72 TYR CB C 13 41.539 0.100 . 1 . . . . . . . . 6090 1 622 . 1 1 72 72 TYR N N 15 120.268 0.100 . 1 . . . . . . . . 6090 1 623 . 1 1 73 73 THR H H 1 8.546 0.010 . 1 . . . . . . . . 6090 1 624 . 1 1 73 73 THR HA H 1 4.587 0.010 . 1 . . . . . . . . 6090 1 625 . 1 1 73 73 THR HB H 1 3.794 0.010 . 1 . . . . . . . . 6090 1 626 . 1 1 73 73 THR HG21 H 1 0.447 0.010 . 1 . . . . . . . . 6090 1 627 . 1 1 73 73 THR HG22 H 1 0.447 0.010 . 1 . . . . . . . . 6090 1 628 . 1 1 73 73 THR HG23 H 1 0.447 0.010 . 1 . . . . . . . . 6090 1 629 . 1 1 73 73 THR C C 13 172.860 0.100 . 1 . . . . . . . . 6090 1 630 . 1 1 73 73 THR CA C 13 62.474 0.100 . 1 . . . . . . . . 6090 1 631 . 1 1 73 73 THR CB C 13 69.143 0.100 . 1 . . . . . . . . 6090 1 632 . 1 1 73 73 THR CG2 C 13 19.390 0.100 . 1 . . . . . . . . 6090 1 633 . 1 1 73 73 THR N N 15 116.203 0.100 . 1 . . . . . . . . 6090 1 634 . 1 1 74 74 GLY H H 1 7.458 0.010 . 1 . . . . . . . . 6090 1 635 . 1 1 74 74 GLY HA2 H 1 4.320 0.010 . 1 . . . . . . . . 6090 1 636 . 1 1 74 74 GLY HA3 H 1 3.204 0.010 . 1 . . . . . . . . 6090 1 637 . 1 1 74 74 GLY C C 13 174.348 0.100 . 1 . . . . . . . . 6090 1 638 . 1 1 74 74 GLY CA C 13 44.662 0.100 . 1 . . . . . . . . 6090 1 639 . 1 1 74 74 GLY N N 15 108.911 0.100 . 1 . . . . . . . . 6090 1 640 . 1 1 75 75 GLY H H 1 8.902 0.010 . 1 . . . . . . . . 6090 1 641 . 1 1 75 75 GLY HA2 H 1 3.263 0.010 . 1 . . . . . . . . 6090 1 642 . 1 1 75 75 GLY HA3 H 1 3.263 0.010 . 1 . . . . . . . . 6090 1 643 . 1 1 75 75 GLY C C 13 174.147 0.100 . 1 . . . . . . . . 6090 1 644 . 1 1 75 75 GLY CA C 13 41.961 0.100 . 1 . . . . . . . . 6090 1 645 . 1 1 75 75 GLY N N 15 111.942 0.100 . 1 . . . . . . . . 6090 1 646 . 1 1 76 76 TYR H H 1 7.590 0.010 . 1 . . . . . . . . 6090 1 647 . 1 1 76 76 TYR HA H 1 4.647 0.010 . 1 . . . . . . . . 6090 1 648 . 1 1 76 76 TYR C C 13 176.608 0.100 . 1 . . . . . . . . 6090 1 649 . 1 1 76 76 TYR CA C 13 58.760 0.100 . 1 . . . . . . . . 6090 1 650 . 1 1 76 76 TYR CB C 13 41.370 0.100 . 1 . . . . . . . . 6090 1 651 . 1 1 76 76 TYR N N 15 118.411 0.100 . 1 . . . . . . . . 6090 1 652 . 1 1 77 77 THR H H 1 6.532 0.010 . 1 . . . . . . . . 6090 1 653 . 1 1 77 77 THR HA H 1 4.141 0.010 . 1 . . . . . . . . 6090 1 654 . 1 1 77 77 THR HB H 1 3.302 0.010 . 1 . . . . . . . . 6090 1 655 . 1 1 77 77 THR HG21 H 1 0.790 0.010 . 1 . . . . . . . . 6090 1 656 . 1 1 77 77 THR HG22 H 1 0.790 0.010 . 1 . . . . . . . . 6090 1 657 . 1 1 77 77 THR HG23 H 1 0.790 0.010 . 1 . . . . . . . . 6090 1 658 . 1 1 77 77 THR C C 13 173.032 0.100 . 1 . . . . . . . . 6090 1 659 . 1 1 77 77 THR CA C 13 62.559 0.100 . 1 . . . . . . . . 6090 1 660 . 1 1 77 77 THR CB C 13 72.858 0.100 . 1 . . . . . . . . 6090 1 661 . 1 1 77 77 THR CG2 C 13 21.090 0.100 . 1 . . . . . . . . 6090 1 662 . 1 1 77 77 THR N N 15 116.674 0.100 . 1 . . . . . . . . 6090 1 663 . 1 1 80 80 PRO CA C 13 63.125 0.100 . 1 . . . . . . . . 6090 1 664 . 1 1 80 80 PRO CB C 13 33.803 0.100 . 1 . . . . . . . . 6090 1 665 . 1 1 81 81 THR H H 1 8.167 0.010 . 1 . . . . . . . . 6090 1 666 . 1 1 81 81 THR HA H 1 4.647 0.010 . 1 . . . . . . . . 6090 1 667 . 1 1 81 81 THR C C 13 175.206 0.100 . 1 . . . . . . . . 6090 1 668 . 1 1 81 81 THR CA C 13 59.036 0.100 . 1 . . . . . . . . 6090 1 669 . 1 1 81 81 THR CB C 13 72.161 0.100 . 1 . . . . . . . . 6090 1 670 . 1 1 81 81 THR N N 15 106.932 0.100 . 1 . . . . . . . . 6090 1 671 . 1 1 82 82 TYR H H 1 11.548 0.010 . 1 . . . . . . . . 6090 1 672 . 1 1 82 82 TYR C C 13 180.241 0.100 . 1 . . . . . . . . 6090 1 673 . 1 1 82 82 TYR CA C 13 63.470 0.100 . 1 . . . . . . . . 6090 1 674 . 1 1 82 82 TYR CB C 13 38.525 0.100 . 1 . . . . . . . . 6090 1 675 . 1 1 82 82 TYR N N 15 125.693 0.100 . 1 . . . . . . . . 6090 1 676 . 1 1 83 83 ARG H H 1 8.312 0.010 . 1 . . . . . . . . 6090 1 677 . 1 1 83 83 ARG HA H 1 3.724 0.010 . 1 . . . . . . . . 6090 1 678 . 1 1 83 83 ARG C C 13 180.295 0.100 . 1 . . . . . . . . 6090 1 679 . 1 1 83 83 ARG CA C 13 59.703 0.100 . 1 . . . . . . . . 6090 1 680 . 1 1 83 83 ARG N N 15 117.421 0.100 . 1 . . . . . . . . 6090 1 681 . 1 1 84 84 GLU H H 1 7.411 0.010 . 1 . . . . . . . . 6090 1 682 . 1 1 84 84 GLU HA H 1 3.739 0.010 . 1 . . . . . . . . 6090 1 683 . 1 1 84 84 GLU C C 13 180.952 0.100 . 1 . . . . . . . . 6090 1 684 . 1 1 84 84 GLU CA C 13 59.074 0.100 . 1 . . . . . . . . 6090 1 685 . 1 1 84 84 GLU CB C 13 30.115 0.100 . 1 . . . . . . . . 6090 1 686 . 1 1 84 84 GLU N N 15 118.667 0.100 . 1 . . . . . . . . 6090 1 687 . 1 1 85 85 VAL H H 1 8.608 0.010 . 1 . . . . . . . . 6090 1 688 . 1 1 85 85 VAL HA H 1 3.260 0.010 . 1 . . . . . . . . 6090 1 689 . 1 1 85 85 VAL HB H 1 1.362 0.010 . 1 . . . . . . . . 6090 1 690 . 1 1 85 85 VAL HG11 H 1 0.390 0.010 . 1 . . . . . . . . 6090 1 691 . 1 1 85 85 VAL HG12 H 1 0.390 0.010 . 1 . . . . . . . . 6090 1 692 . 1 1 85 85 VAL HG13 H 1 0.390 0.010 . 1 . . . . . . . . 6090 1 693 . 1 1 85 85 VAL HG21 H 1 0.004 0.010 . 1 . . . . . . . . 6090 1 694 . 1 1 85 85 VAL HG22 H 1 0.004 0.010 . 1 . . . . . . . . 6090 1 695 . 1 1 85 85 VAL HG23 H 1 0.004 0.010 . 1 . . . . . . . . 6090 1 696 . 1 1 85 85 VAL C C 13 180.870 0.100 . 1 . . . . . . . . 6090 1 697 . 1 1 85 85 VAL CA C 13 66.571 0.100 . 1 . . . . . . . . 6090 1 698 . 1 1 85 85 VAL CB C 13 31.300 0.100 . 1 . . . . . . . . 6090 1 699 . 1 1 85 85 VAL CG1 C 13 20.343 0.100 . 1 . . . . . . . . 6090 1 700 . 1 1 85 85 VAL CG2 C 13 21.539 0.100 . 1 . . . . . . . . 6090 1 701 . 1 1 85 85 VAL N N 15 123.454 0.100 . 1 . . . . . . . . 6090 1 702 . 1 1 86 86 CYS H H 1 8.449 0.010 . 1 . . . . . . . . 6090 1 703 . 1 1 86 86 CYS HA H 1 4.082 0.010 . 1 . . . . . . . . 6090 1 704 . 1 1 86 86 CYS CA C 13 61.581 0.100 . 1 . . . . . . . . 6090 1 705 . 1 1 86 86 CYS CB C 13 28.103 0.100 . 1 . . . . . . . . 6090 1 706 . 1 1 86 86 CYS N N 15 117.579 0.100 . 1 . . . . . . . . 6090 1 707 . 1 1 87 87 SER H H 1 7.278 0.010 . 1 . . . . . . . . 6090 1 708 . 1 1 87 87 SER HA H 1 4.201 0.010 . 1 . . . . . . . . 6090 1 709 . 1 1 87 87 SER HB2 H 1 4.019 0.010 . 1 . . . . . . . . 6090 1 710 . 1 1 87 87 SER HB3 H 1 4.019 0.010 . 1 . . . . . . . . 6090 1 711 . 1 1 87 87 SER C C 13 175.950 0.100 . 1 . . . . . . . . 6090 1 712 . 1 1 87 87 SER CA C 13 61.030 0.100 . 1 . . . . . . . . 6090 1 713 . 1 1 87 87 SER CB C 13 65.621 0.100 . 1 . . . . . . . . 6090 1 714 . 1 1 87 87 SER N N 15 114.713 0.100 . 1 . . . . . . . . 6090 1 715 . 1 1 88 88 GLY H H 1 7.339 0.010 . 1 . . . . . . . . 6090 1 716 . 1 1 88 88 GLY HA2 H 1 4.441 0.010 . 1 . . . . . . . . 6090 1 717 . 1 1 88 88 GLY HA3 H 1 3.469 0.010 . 1 . . . . . . . . 6090 1 718 . 1 1 88 88 GLY C C 13 176.093 0.100 . 1 . . . . . . . . 6090 1 719 . 1 1 88 88 GLY CA C 13 46.737 0.100 . 1 . . . . . . . . 6090 1 720 . 1 1 88 88 GLY N N 15 108.684 0.100 . 1 . . . . . . . . 6090 1 721 . 1 1 89 89 ASP H H 1 8.134 0.010 . 1 . . . . . . . . 6090 1 722 . 1 1 89 89 ASP HA H 1 4.825 0.010 . 1 . . . . . . . . 6090 1 723 . 1 1 89 89 ASP HB2 H 1 3.048 0.010 . 1 . . . . . . . . 6090 1 724 . 1 1 89 89 ASP HB3 H 1 2.425 0.010 . 1 . . . . . . . . 6090 1 725 . 1 1 89 89 ASP C C 13 176.236 0.100 . 1 . . . . . . . . 6090 1 726 . 1 1 89 89 ASP CA C 13 56.860 0.100 . 1 . . . . . . . . 6090 1 727 . 1 1 89 89 ASP CB C 13 40.109 0.100 . 1 . . . . . . . . 6090 1 728 . 1 1 89 89 ASP N N 15 118.357 0.100 . 1 . . . . . . . . 6090 1 729 . 1 1 90 90 THR H H 1 8.191 0.010 . 1 . . . . . . . . 6090 1 730 . 1 1 90 90 THR HA H 1 5.302 0.010 . 1 . . . . . . . . 6090 1 731 . 1 1 90 90 THR HB H 1 4.046 0.010 . 1 . . . . . . . . 6090 1 732 . 1 1 90 90 THR HG21 H 1 0.939 0.010 . 1 . . . . . . . . 6090 1 733 . 1 1 90 90 THR HG22 H 1 0.939 0.010 . 1 . . . . . . . . 6090 1 734 . 1 1 90 90 THR HG23 H 1 0.939 0.010 . 1 . . . . . . . . 6090 1 735 . 1 1 90 90 THR C C 13 176.407 0.100 . 1 . . . . . . . . 6090 1 736 . 1 1 90 90 THR CA C 13 62.305 0.100 . 1 . . . . . . . . 6090 1 737 . 1 1 90 90 THR CB C 13 71.885 0.100 . 1 . . . . . . . . 6090 1 738 . 1 1 90 90 THR N N 15 106.015 0.100 . 1 . . . . . . . . 6090 1 739 . 1 1 91 91 GLY H H 1 6.682 0.010 . 1 . . . . . . . . 6090 1 740 . 1 1 91 91 GLY HA2 H 1 4.171 0.010 . 1 . . . . . . . . 6090 1 741 . 1 1 91 91 GLY HA3 H 1 3.710 0.010 . 1 . . . . . . . . 6090 1 742 . 1 1 91 91 GLY C C 13 174.090 0.100 . 1 . . . . . . . . 6090 1 743 . 1 1 91 91 GLY CA C 13 46.607 0.100 . 1 . . . . . . . . 6090 1 744 . 1 1 91 91 GLY N N 15 109.396 0.100 . 1 . . . . . . . . 6090 1 745 . 1 1 92 92 HIS H H 1 8.009 0.010 . 1 . . . . . . . . 6090 1 746 . 1 1 92 92 HIS HA H 1 4.007 0.010 . 1 . . . . . . . . 6090 1 747 . 1 1 92 92 HIS C C 13 175.832 0.100 . 1 . . . . . . . . 6090 1 748 . 1 1 92 92 HIS CA C 13 57.409 0.100 . 1 . . . . . . . . 6090 1 749 . 1 1 92 92 HIS CB C 13 33.350 0.100 . 1 . . . . . . . . 6090 1 750 . 1 1 92 92 HIS N N 15 120.908 0.100 . 1 . . . . . . . . 6090 1 751 . 1 1 93 93 ALA H H 1 9.569 0.010 . 1 . . . . . . . . 6090 1 752 . 1 1 93 93 ALA HA H 1 4.483 0.010 . 1 . . . . . . . . 6090 1 753 . 1 1 93 93 ALA HB1 H 1 1.215 0.010 . 1 . . . . . . . . 6090 1 754 . 1 1 93 93 ALA HB2 H 1 1.215 0.010 . 1 . . . . . . . . 6090 1 755 . 1 1 93 93 ALA HB3 H 1 1.215 0.010 . 1 . . . . . . . . 6090 1 756 . 1 1 93 93 ALA C C 13 178.982 0.100 . 1 . . . . . . . . 6090 1 757 . 1 1 93 93 ALA CA C 13 50.994 0.100 . 1 . . . . . . . . 6090 1 758 . 1 1 93 93 ALA CB C 13 20.603 0.100 . 1 . . . . . . . . 6090 1 759 . 1 1 93 93 ALA N N 15 122.523 0.100 . 1 . . . . . . . . 6090 1 760 . 1 1 94 94 GLU H H 1 9.113 0.010 . 1 . . . . . . . . 6090 1 761 . 1 1 94 94 GLU C C 13 177.294 0.100 . 1 . . . . . . . . 6090 1 762 . 1 1 94 94 GLU CA C 13 59.013 0.100 . 1 . . . . . . . . 6090 1 763 . 1 1 94 94 GLU N N 15 119.945 0.100 . 1 . . . . . . . . 6090 1 764 . 1 1 95 95 ALA H H 1 9.566 0.010 . 1 . . . . . . . . 6090 1 765 . 1 1 95 95 ALA HA H 1 5.406 0.010 . 1 . . . . . . . . 6090 1 766 . 1 1 95 95 ALA HB1 H 1 1.231 0.010 . 1 . . . . . . . . 6090 1 767 . 1 1 95 95 ALA HB2 H 1 1.231 0.010 . 1 . . . . . . . . 6090 1 768 . 1 1 95 95 ALA HB3 H 1 1.231 0.010 . 1 . . . . . . . . 6090 1 769 . 1 1 95 95 ALA C C 13 175.091 0.100 . 1 . . . . . . . . 6090 1 770 . 1 1 95 95 ALA CA C 13 51.416 0.100 . 1 . . . . . . . . 6090 1 771 . 1 1 95 95 ALA CB C 13 26.006 0.100 . 1 . . . . . . . . 6090 1 772 . 1 1 95 95 ALA N N 15 129.724 0.100 . 1 . . . . . . . . 6090 1 773 . 1 1 96 96 VAL H H 1 8.920 0.010 . 1 . . . . . . . . 6090 1 774 . 1 1 96 96 VAL HA H 1 5.346 0.010 . 1 . . . . . . . . 6090 1 775 . 1 1 96 96 VAL HB H 1 1.812 0.010 . 1 . . . . . . . . 6090 1 776 . 1 1 96 96 VAL HG11 H 1 0.984 0.010 . 1 . . . . . . . . 6090 1 777 . 1 1 96 96 VAL HG12 H 1 0.984 0.010 . 1 . . . . . . . . 6090 1 778 . 1 1 96 96 VAL HG13 H 1 0.984 0.010 . 1 . . . . . . . . 6090 1 779 . 1 1 96 96 VAL HG21 H 1 0.984 0.010 . 1 . . . . . . . . 6090 1 780 . 1 1 96 96 VAL HG22 H 1 0.984 0.010 . 1 . . . . . . . . 6090 1 781 . 1 1 96 96 VAL HG23 H 1 0.984 0.010 . 1 . . . . . . . . 6090 1 782 . 1 1 96 96 VAL C C 13 173.490 0.100 . 1 . . . . . . . . 6090 1 783 . 1 1 96 96 VAL CA C 13 60.001 0.100 . 1 . . . . . . . . 6090 1 784 . 1 1 96 96 VAL CB C 13 36.484 0.100 . 1 . . . . . . . . 6090 1 785 . 1 1 96 96 VAL CG1 C 13 22.777 0.100 . 1 . . . . . . . . 6090 1 786 . 1 1 96 96 VAL CG2 C 13 22.777 0.100 . 1 . . . . . . . . 6090 1 787 . 1 1 96 96 VAL N N 15 114.374 0.100 . 1 . . . . . . . . 6090 1 788 . 1 1 97 97 ARG H H 1 8.366 0.010 . 1 . . . . . . . . 6090 1 789 . 1 1 97 97 ARG HA H 1 4.245 0.010 . 1 . . . . . . . . 6090 1 790 . 1 1 97 97 ARG C C 13 175.606 0.100 . 1 . . . . . . . . 6090 1 791 . 1 1 97 97 ARG CA C 13 54.455 0.100 . 1 . . . . . . . . 6090 1 792 . 1 1 97 97 ARG N N 15 125.710 0.100 . 1 . . . . . . . . 6090 1 793 . 1 1 98 98 ILE H H 1 9.447 0.010 . 1 . . . . . . . . 6090 1 794 . 1 1 98 98 ILE HA H 1 4.573 0.010 . 1 . . . . . . . . 6090 1 795 . 1 1 98 98 ILE HB H 1 1.720 0.010 . 1 . . . . . . . . 6090 1 796 . 1 1 98 98 ILE HG12 H 1 1.074 0.010 . 1 . . . . . . . . 6090 1 797 . 1 1 98 98 ILE HG13 H 1 0.601 0.010 . 1 . . . . . . . . 6090 1 798 . 1 1 98 98 ILE HG21 H 1 0.921 0.010 . 1 . . . . . . . . 6090 1 799 . 1 1 98 98 ILE HG22 H 1 0.921 0.010 . 1 . . . . . . . . 6090 1 800 . 1 1 98 98 ILE HG23 H 1 0.921 0.010 . 1 . . . . . . . . 6090 1 801 . 1 1 98 98 ILE HD11 H 1 -0.250 0.010 . 1 . . . . . . . . 6090 1 802 . 1 1 98 98 ILE HD12 H 1 -0.250 0.010 . 1 . . . . . . . . 6090 1 803 . 1 1 98 98 ILE HD13 H 1 -0.250 0.010 . 1 . . . . . . . . 6090 1 804 . 1 1 98 98 ILE C C 13 175.120 0.100 . 1 . . . . . . . . 6090 1 805 . 1 1 98 98 ILE CA C 13 60.702 0.100 . 1 . . . . . . . . 6090 1 806 . 1 1 98 98 ILE CB C 13 41.539 0.100 . 1 . . . . . . . . 6090 1 807 . 1 1 98 98 ILE CG1 C 13 29.383 0.100 . 1 . . . . . . . . 6090 1 808 . 1 1 98 98 ILE CG2 C 13 20.941 0.100 . 1 . . . . . . . . 6090 1 809 . 1 1 98 98 ILE CD1 C 13 15.630 0.100 . 1 . . . . . . . . 6090 1 810 . 1 1 98 98 ILE N N 15 130.129 0.100 . 1 . . . . . . . . 6090 1 811 . 1 1 99 99 VAL H H 1 8.515 0.010 . 1 . . . . . . . . 6090 1 812 . 1 1 99 99 VAL HA H 1 5.123 0.010 . 1 . . . . . . . . 6090 1 813 . 1 1 99 99 VAL HB H 1 2.336 0.010 . 1 . . . . . . . . 6090 1 814 . 1 1 99 99 VAL HG11 H 1 0.931 0.010 . 1 . . . . . . . . 6090 1 815 . 1 1 99 99 VAL HG12 H 1 0.931 0.010 . 1 . . . . . . . . 6090 1 816 . 1 1 99 99 VAL HG13 H 1 0.931 0.010 . 1 . . . . . . . . 6090 1 817 . 1 1 99 99 VAL HG21 H 1 0.836 0.010 . 1 . . . . . . . . 6090 1 818 . 1 1 99 99 VAL HG22 H 1 0.836 0.010 . 1 . . . . . . . . 6090 1 819 . 1 1 99 99 VAL HG23 H 1 0.836 0.010 . 1 . . . . . . . . 6090 1 820 . 1 1 99 99 VAL C C 13 176.665 0.100 . 1 . . . . . . . . 6090 1 821 . 1 1 99 99 VAL CA C 13 61.461 0.100 . 1 . . . . . . . . 6090 1 822 . 1 1 99 99 VAL CB C 13 32.675 0.100 . 1 . . . . . . . . 6090 1 823 . 1 1 99 99 VAL CG1 C 13 24.082 0.100 . 1 . . . . . . . . 6090 1 824 . 1 1 99 99 VAL CG2 C 13 22.578 0.100 . 1 . . . . . . . . 6090 1 825 . 1 1 99 99 VAL N N 15 127.556 0.100 . 1 . . . . . . . . 6090 1 826 . 1 1 100 100 TYR H H 1 9.388 0.010 . 1 . . . . . . . . 6090 1 827 . 1 1 100 100 TYR HA H 1 5.554 0.010 . 1 . . . . . . . . 6090 1 828 . 1 1 100 100 TYR HB2 H 1 2.746 0.010 . 1 . . . . . . . . 6090 1 829 . 1 1 100 100 TYR HB3 H 1 2.621 0.010 . 1 . . . . . . . . 6090 1 830 . 1 1 100 100 TYR C C 13 171.687 0.100 . 1 . . . . . . . . 6090 1 831 . 1 1 100 100 TYR CA C 13 55.552 0.100 . 1 . . . . . . . . 6090 1 832 . 1 1 100 100 TYR CB C 13 42.299 0.100 . 1 . . . . . . . . 6090 1 833 . 1 1 100 100 TYR N N 15 125.950 0.100 . 1 . . . . . . . . 6090 1 834 . 1 1 101 101 ASP H H 1 8.431 0.010 . 1 . . . . . . . . 6090 1 835 . 1 1 101 101 ASP HA H 1 5.004 0.010 . 1 . . . . . . . . 6090 1 836 . 1 1 101 101 ASP HB2 H 1 3.125 0.010 . 1 . . . . . . . . 6090 1 837 . 1 1 101 101 ASP HB3 H 1 2.529 0.010 . 1 . . . . . . . . 6090 1 838 . 1 1 101 101 ASP CA C 13 50.267 0.100 . 1 . . . . . . . . 6090 1 839 . 1 1 101 101 ASP CB C 13 42.480 0.100 . 1 . . . . . . . . 6090 1 840 . 1 1 101 101 ASP N N 15 120.296 0.100 . 1 . . . . . . . . 6090 1 841 . 1 1 102 102 PRO C C 13 178.381 0.100 . 1 . . . . . . . . 6090 1 842 . 1 1 102 102 PRO CA C 13 63.830 0.100 . 1 . . . . . . . . 6090 1 843 . 1 1 102 102 PRO CB C 13 32.746 0.100 . 1 . . . . . . . . 6090 1 844 . 1 1 103 103 SER H H 1 8.393 0.010 . 1 . . . . . . . . 6090 1 845 . 1 1 103 103 SER HA H 1 4.349 0.010 . 1 . . . . . . . . 6090 1 846 . 1 1 103 103 SER C C 13 174.577 0.100 . 1 . . . . . . . . 6090 1 847 . 1 1 103 103 SER CA C 13 60.857 0.100 . 1 . . . . . . . . 6090 1 848 . 1 1 103 103 SER CB C 13 63.739 0.100 . 1 . . . . . . . . 6090 1 849 . 1 1 103 103 SER N N 15 115.679 0.100 . 1 . . . . . . . . 6090 1 850 . 1 1 104 104 VAL H H 1 8.167 0.010 . 1 . . . . . . . . 6090 1 851 . 1 1 104 104 VAL HA H 1 4.022 0.010 . 1 . . . . . . . . 6090 1 852 . 1 1 104 104 VAL HB H 1 1.996 0.010 . 1 . . . . . . . . 6090 1 853 . 1 1 104 104 VAL C C 13 175.349 0.100 . 1 . . . . . . . . 6090 1 854 . 1 1 104 104 VAL CA C 13 64.440 0.100 . 1 . . . . . . . . 6090 1 855 . 1 1 104 104 VAL CB C 13 35.004 0.100 . 1 . . . . . . . . 6090 1 856 . 1 1 104 104 VAL CG1 C 13 21.900 0.100 . 1 . . . . . . . . 6090 1 857 . 1 1 104 104 VAL CG2 C 13 21.900 0.100 . 1 . . . . . . . . 6090 1 858 . 1 1 104 104 VAL N N 15 123.386 0.100 . 1 . . . . . . . . 6090 1 859 . 1 1 105 105 ILE H H 1 8.673 0.010 . 1 . . . . . . . . 6090 1 860 . 1 1 105 105 ILE HA H 1 4.647 0.010 . 1 . . . . . . . . 6090 1 861 . 1 1 105 105 ILE C C 13 171.373 0.100 . 1 . . . . . . . . 6090 1 862 . 1 1 105 105 ILE CA C 13 59.534 0.100 . 1 . . . . . . . . 6090 1 863 . 1 1 105 105 ILE CB C 13 42.091 0.100 . 1 . . . . . . . . 6090 1 864 . 1 1 105 105 ILE N N 15 122.150 0.100 . 1 . . . . . . . . 6090 1 865 . 1 1 106 106 SER H H 1 8.302 0.010 . 1 . . . . . . . . 6090 1 866 . 1 1 106 106 SER HA H 1 4.885 0.010 . 1 . . . . . . . . 6090 1 867 . 1 1 106 106 SER HB2 H 1 4.438 0.010 . 1 . . . . . . . . 6090 1 868 . 1 1 106 106 SER HB3 H 1 3.993 0.010 . 1 . . . . . . . . 6090 1 869 . 1 1 106 106 SER C C 13 176.379 0.100 . 1 . . . . . . . . 6090 1 870 . 1 1 106 106 SER CA C 13 56.481 0.100 . 1 . . . . . . . . 6090 1 871 . 1 1 106 106 SER CB C 13 67.286 0.100 . 1 . . . . . . . . 6090 1 872 . 1 1 106 106 SER N N 15 119.195 0.100 . 1 . . . . . . . . 6090 1 873 . 1 1 107 107 TYR H H 1 9.349 0.010 . 1 . . . . . . . . 6090 1 874 . 1 1 107 107 TYR HA H 1 3.963 0.010 . 1 . . . . . . . . 6090 1 875 . 1 1 107 107 TYR HB2 H 1 3.450 0.010 . 1 . . . . . . . . 6090 1 876 . 1 1 107 107 TYR HB3 H 1 2.794 0.010 . 1 . . . . . . . . 6090 1 877 . 1 1 107 107 TYR C C 13 178.038 0.100 . 1 . . . . . . . . 6090 1 878 . 1 1 107 107 TYR CA C 13 62.981 0.100 . 1 . . . . . . . . 6090 1 879 . 1 1 107 107 TYR CB C 13 38.246 0.100 . 1 . . . . . . . . 6090 1 880 . 1 1 107 107 TYR N N 15 122.164 0.100 . 1 . . . . . . . . 6090 1 881 . 1 1 108 108 GLU H H 1 8.430 0.010 . 1 . . . . . . . . 6090 1 882 . 1 1 108 108 GLU HA H 1 3.873 0.010 . 1 . . . . . . . . 6090 1 883 . 1 1 108 108 GLU C C 13 179.983 0.100 . 1 . . . . . . . . 6090 1 884 . 1 1 108 108 GLU CA C 13 60.945 0.100 . 1 . . . . . . . . 6090 1 885 . 1 1 108 108 GLU CB C 13 29.253 0.100 . 1 . . . . . . . . 6090 1 886 . 1 1 108 108 GLU N N 15 116.370 0.100 . 1 . . . . . . . . 6090 1 887 . 1 1 109 109 GLN H H 1 7.849 0.010 . 1 . . . . . . . . 6090 1 888 . 1 1 109 109 GLN HA H 1 4.037 0.010 . 1 . . . . . . . . 6090 1 889 . 1 1 109 109 GLN C C 13 180.440 0.100 . 1 . . . . . . . . 6090 1 890 . 1 1 109 109 GLN CA C 13 59.440 0.100 . 1 . . . . . . . . 6090 1 891 . 1 1 109 109 GLN N N 15 120.236 0.100 . 1 . . . . . . . . 6090 1 892 . 1 1 110 110 LEU H H 1 7.788 0.010 . 1 . . . . . . . . 6090 1 893 . 1 1 110 110 LEU HA H 1 3.866 0.010 . 1 . . . . . . . . 6090 1 894 . 1 1 110 110 LEU HB2 H 1 1.904 0.010 . 1 . . . . . . . . 6090 1 895 . 1 1 110 110 LEU HB3 H 1 1.126 0.010 . 1 . . . . . . . . 6090 1 896 . 1 1 110 110 LEU HG H 1 1.406 0.010 . 1 . . . . . . . . 6090 1 897 . 1 1 110 110 LEU HD11 H 1 -0.140 0.010 . 1 . . . . . . . . 6090 1 898 . 1 1 110 110 LEU HD12 H 1 -0.140 0.010 . 1 . . . . . . . . 6090 1 899 . 1 1 110 110 LEU HD13 H 1 -0.140 0.010 . 1 . . . . . . . . 6090 1 900 . 1 1 110 110 LEU HD21 H 1 0.640 0.010 . 1 . . . . . . . . 6090 1 901 . 1 1 110 110 LEU HD22 H 1 0.640 0.010 . 1 . . . . . . . . 6090 1 902 . 1 1 110 110 LEU HD23 H 1 0.640 0.010 . 1 . . . . . . . . 6090 1 903 . 1 1 110 110 LEU C C 13 179.182 0.100 . 1 . . . . . . . . 6090 1 904 . 1 1 110 110 LEU CA C 13 58.790 0.100 . 1 . . . . . . . . 6090 1 905 . 1 1 110 110 LEU CB C 13 41.320 0.100 . 1 . . . . . . . . 6090 1 906 . 1 1 110 110 LEU CG C 13 26.864 0.100 . 1 . . . . . . . . 6090 1 907 . 1 1 110 110 LEU CD1 C 13 25.736 0.100 . 1 . . . . . . . . 6090 1 908 . 1 1 110 110 LEU CD2 C 13 24.382 0.100 . 1 . . . . . . . . 6090 1 909 . 1 1 110 110 LEU N N 15 121.653 0.100 . 1 . . . . . . . . 6090 1 910 . 1 1 111 111 LEU H H 1 8.323 0.010 . 1 . . . . . . . . 6090 1 911 . 1 1 111 111 LEU HA H 1 3.597 0.010 . 1 . . . . . . . . 6090 1 912 . 1 1 111 111 LEU C C 13 178.674 0.100 . 1 . . . . . . . . 6090 1 913 . 1 1 111 111 LEU CA C 13 57.349 0.100 . 1 . . . . . . . . 6090 1 914 . 1 1 111 111 LEU CB C 13 42.046 0.100 . 1 . . . . . . . . 6090 1 915 . 1 1 111 111 LEU N N 15 118.578 0.100 . 1 . . . . . . . . 6090 1 916 . 1 1 112 112 GLN H H 1 7.549 0.010 . 1 . . . . . . . . 6090 1 917 . 1 1 112 112 GLN HA H 1 3.888 0.010 . 1 . . . . . . . . 6090 1 918 . 1 1 112 112 GLN C C 13 177.294 0.100 . 1 . . . . . . . . 6090 1 919 . 1 1 112 112 GLN CA C 13 60.756 0.100 . 1 . . . . . . . . 6090 1 920 . 1 1 112 112 GLN CB C 13 27.908 0.100 . 1 . . . . . . . . 6090 1 921 . 1 1 112 112 GLN N N 15 118.629 0.100 . 1 . . . . . . . . 6090 1 922 . 1 1 113 113 VAL H H 1 7.072 0.010 . 1 . . . . . . . . 6090 1 923 . 1 1 113 113 VAL HA H 1 3.263 0.010 . 1 . . . . . . . . 6090 1 924 . 1 1 113 113 VAL HB H 1 2.061 0.010 . 1 . . . . . . . . 6090 1 925 . 1 1 113 113 VAL HG11 H 1 0.184 0.010 . 1 . . . . . . . . 6090 1 926 . 1 1 113 113 VAL HG12 H 1 0.184 0.010 . 1 . . . . . . . . 6090 1 927 . 1 1 113 113 VAL HG13 H 1 0.184 0.010 . 1 . . . . . . . . 6090 1 928 . 1 1 113 113 VAL HG21 H 1 0.851 0.010 . 1 . . . . . . . . 6090 1 929 . 1 1 113 113 VAL HG22 H 1 0.851 0.010 . 1 . . . . . . . . 6090 1 930 . 1 1 113 113 VAL HG23 H 1 0.851 0.010 . 1 . . . . . . . . 6090 1 931 . 1 1 113 113 VAL C C 13 179.154 0.100 . 1 . . . . . . . . 6090 1 932 . 1 1 113 113 VAL CA C 13 66.524 0.100 . 1 . . . . . . . . 6090 1 933 . 1 1 113 113 VAL CB C 13 31.174 0.100 . 1 . . . . . . . . 6090 1 934 . 1 1 113 113 VAL CG1 C 13 22.659 0.100 . 1 . . . . . . . . 6090 1 935 . 1 1 113 113 VAL CG2 C 13 22.734 0.100 . 1 . . . . . . . . 6090 1 936 . 1 1 113 113 VAL N N 15 117.892 0.100 . 1 . . . . . . . . 6090 1 937 . 1 1 114 114 PHE H H 1 7.844 0.010 . 1 . . . . . . . . 6090 1 938 . 1 1 114 114 PHE HA H 1 3.977 0.010 . 1 . . . . . . . . 6090 1 939 . 1 1 114 114 PHE C C 13 177.437 0.100 . 1 . . . . . . . . 6090 1 940 . 1 1 114 114 PHE CA C 13 61.122 0.100 . 1 . . . . . . . . 6090 1 941 . 1 1 114 114 PHE CB C 13 38.956 0.100 . 1 . . . . . . . . 6090 1 942 . 1 1 114 114 PHE N N 15 120.512 0.100 . 1 . . . . . . . . 6090 1 943 . 1 1 115 115 TRP H H 1 8.488 0.010 . 1 . . . . . . . . 6090 1 944 . 1 1 115 115 TRP HA H 1 3.620 0.010 . 1 . . . . . . . . 6090 1 945 . 1 1 115 115 TRP C C 13 177.037 0.100 . 1 . . . . . . . . 6090 1 946 . 1 1 115 115 TRP CA C 13 60.015 0.100 . 1 . . . . . . . . 6090 1 947 . 1 1 115 115 TRP CB C 13 29.822 0.100 . 1 . . . . . . . . 6090 1 948 . 1 1 115 115 TRP N N 15 118.813 0.100 . 1 . . . . . . . . 6090 1 949 . 1 1 116 116 GLU H H 1 7.570 0.010 . 1 . . . . . . . . 6090 1 950 . 1 1 116 116 GLU HA H 1 4.305 0.010 . 1 . . . . . . . . 6090 1 951 . 1 1 116 116 GLU C C 13 178.867 0.100 . 1 . . . . . . . . 6090 1 952 . 1 1 116 116 GLU CA C 13 57.930 0.100 . 1 . . . . . . . . 6090 1 953 . 1 1 116 116 GLU CB C 13 30.368 0.100 . 1 . . . . . . . . 6090 1 954 . 1 1 116 116 GLU N N 15 108.183 0.100 . 1 . . . . . . . . 6090 1 955 . 1 1 117 117 ASN H H 1 6.955 0.010 . 1 . . . . . . . . 6090 1 956 . 1 1 117 117 ASN HA H 1 4.811 0.010 . 1 . . . . . . . . 6090 1 957 . 1 1 117 117 ASN HB2 H 1 2.626 0.010 . 1 . . . . . . . . 6090 1 958 . 1 1 117 117 ASN HB3 H 1 2.223 0.010 . 1 . . . . . . . . 6090 1 959 . 1 1 117 117 ASN C C 13 173.289 0.100 . 1 . . . . . . . . 6090 1 960 . 1 1 117 117 ASN CA C 13 54.233 0.100 . 1 . . . . . . . . 6090 1 961 . 1 1 117 117 ASN CB C 13 42.005 0.100 . 1 . . . . . . . . 6090 1 962 . 1 1 117 117 ASN N N 15 112.972 0.100 . 1 . . . . . . . . 6090 1 963 . 1 1 118 118 HIS H H 1 7.473 0.010 . 1 . . . . . . . . 6090 1 964 . 1 1 118 118 HIS HA H 1 4.617 0.010 . 1 . . . . . . . . 6090 1 965 . 1 1 118 118 HIS C C 13 172.088 0.100 . 1 . . . . . . . . 6090 1 966 . 1 1 118 118 HIS CA C 13 55.343 0.100 . 1 . . . . . . . . 6090 1 967 . 1 1 118 118 HIS CB C 13 30.977 0.100 . 1 . . . . . . . . 6090 1 968 . 1 1 118 118 HIS N N 15 113.217 0.100 . 1 . . . . . . . . 6090 1 969 . 1 1 119 119 ASP H H 1 9.001 0.010 . 1 . . . . . . . . 6090 1 970 . 1 1 119 119 ASP C C 13 171.960 0.100 . 1 . . . . . . . . 6090 1 971 . 1 1 119 119 ASP CA C 13 50.743 0.100 . 1 . . . . . . . . 6090 1 972 . 1 1 119 119 ASP CB C 13 42.262 0.100 . 1 . . . . . . . . 6090 1 973 . 1 1 119 119 ASP N N 15 119.828 0.100 . 1 . . . . . . . . 6090 1 974 . 1 1 120 120 PRO C C 13 175.006 0.100 . 1 . . . . . . . . 6090 1 975 . 1 1 120 120 PRO CA C 13 64.327 0.100 . 1 . . . . . . . . 6090 1 976 . 1 1 120 120 PRO CB C 13 33.421 0.100 . 1 . . . . . . . . 6090 1 977 . 1 1 121 121 ALA H H 1 8.357 0.010 . 1 . . . . . . . . 6090 1 978 . 1 1 121 121 ALA HA H 1 5.123 0.010 . 1 . . . . . . . . 6090 1 979 . 1 1 121 121 ALA HB1 H 1 1.129 0.010 . 1 . . . . . . . . 6090 1 980 . 1 1 121 121 ALA HB2 H 1 1.129 0.010 . 1 . . . . . . . . 6090 1 981 . 1 1 121 121 ALA HB3 H 1 1.129 0.010 . 1 . . . . . . . . 6090 1 982 . 1 1 121 121 ALA C C 13 177.723 0.100 . 1 . . . . . . . . 6090 1 983 . 1 1 121 121 ALA CA C 13 51.909 0.100 . 1 . . . . . . . . 6090 1 984 . 1 1 121 121 ALA CB C 13 21.203 0.100 . 1 . . . . . . . . 6090 1 985 . 1 1 121 121 ALA N N 15 124.372 0.100 . 1 . . . . . . . . 6090 1 986 . 1 1 122 122 GLN H H 1 8.516 0.010 . 1 . . . . . . . . 6090 1 987 . 1 1 122 122 GLN HA H 1 4.290 0.010 . 1 . . . . . . . . 6090 1 988 . 1 1 122 122 GLN C C 13 177.266 0.100 . 1 . . . . . . . . 6090 1 989 . 1 1 122 122 GLN CA C 13 57.042 0.100 . 1 . . . . . . . . 6090 1 990 . 1 1 122 122 GLN CB C 13 30.187 0.100 . 1 . . . . . . . . 6090 1 991 . 1 1 122 122 GLN N N 15 118.125 0.100 . 1 . . . . . . . . 6090 1 992 . 1 1 123 123 GLY H H 1 8.347 0.010 . 1 . . . . . . . . 6090 1 993 . 1 1 123 123 GLY HA2 H 1 4.111 0.010 . 1 . . . . . . . . 6090 1 994 . 1 1 123 123 GLY HA3 H 1 4.111 0.010 . 1 . . . . . . . . 6090 1 995 . 1 1 123 123 GLY C C 13 176.922 0.100 . 1 . . . . . . . . 6090 1 996 . 1 1 123 123 GLY CA C 13 46.309 0.100 . 1 . . . . . . . . 6090 1 997 . 1 1 123 123 GLY N N 15 109.937 0.100 . 1 . . . . . . . . 6090 1 998 . 1 1 124 124 MET HE1 H 1 2.066 0.010 . 1 . . . . . . . . 6090 1 999 . 1 1 124 124 MET HE2 H 1 2.066 0.010 . 1 . . . . . . . . 6090 1 1000 . 1 1 124 124 MET HE3 H 1 2.066 0.010 . 1 . . . . . . . . 6090 1 1001 . 1 1 124 124 MET C C 13 175.842 0.100 . 1 . . . . . . . . 6090 1 1002 . 1 1 124 124 MET CA C 13 52.580 0.100 . 1 . . . . . . . . 6090 1 1003 . 1 1 124 124 MET CE C 13 19.550 0.100 . 1 . . . . . . . . 6090 1 1004 . 1 1 125 125 ARG H H 1 8.058 0.010 . 1 . . . . . . . . 6090 1 1005 . 1 1 125 125 ARG HA H 1 4.632 0.010 . 1 . . . . . . . . 6090 1 1006 . 1 1 125 125 ARG C C 13 174.187 0.100 . 1 . . . . . . . . 6090 1 1007 . 1 1 125 125 ARG CA C 13 56.206 0.100 . 1 . . . . . . . . 6090 1 1008 . 1 1 125 125 ARG CB C 13 32.343 0.100 . 1 . . . . . . . . 6090 1 1009 . 1 1 125 125 ARG N N 15 120.262 0.100 . 1 . . . . . . . . 6090 1 1010 . 1 1 126 126 GLN H H 1 8.617 0.010 . 1 . . . . . . . . 6090 1 1011 . 1 1 126 126 GLN HA H 1 4.721 0.010 . 1 . . . . . . . . 6090 1 1012 . 1 1 126 126 GLN C C 13 176.413 0.100 . 1 . . . . . . . . 6090 1 1013 . 1 1 126 126 GLN CA C 13 55.950 0.100 . 1 . . . . . . . . 6090 1 1014 . 1 1 126 126 GLN CB C 13 30.043 0.100 . 1 . . . . . . . . 6090 1 1015 . 1 1 126 126 GLN N N 15 121.098 0.100 . 1 . . . . . . . . 6090 1 1016 . 1 1 127 127 GLY H H 1 10.091 0.010 . 1 . . . . . . . . 6090 1 1017 . 1 1 127 127 GLY HA2 H 1 3.913 0.010 . 1 . . . . . . . . 6090 1 1018 . 1 1 127 127 GLY HA3 H 1 3.616 0.010 . 1 . . . . . . . . 6090 1 1019 . 1 1 127 127 GLY C C 13 175.757 0.100 . 1 . . . . . . . . 6090 1 1020 . 1 1 127 127 GLY CA C 13 47.293 0.100 . 1 . . . . . . . . 6090 1 1021 . 1 1 127 127 GLY N N 15 119.822 0.100 . 1 . . . . . . . . 6090 1 1022 . 1 1 128 128 ASN H H 1 8.928 0.010 . 1 . . . . . . . . 6090 1 1023 . 1 1 128 128 ASN HA H 1 4.602 0.010 . 1 . . . . . . . . 6090 1 1024 . 1 1 128 128 ASN HB2 H 1 2.879 0.010 . 1 . . . . . . . . 6090 1 1025 . 1 1 128 128 ASN HB3 H 1 2.573 0.010 . 1 . . . . . . . . 6090 1 1026 . 1 1 128 128 ASN C C 13 174.529 0.100 . 1 . . . . . . . . 6090 1 1027 . 1 1 128 128 ASN CA C 13 53.977 0.100 . 1 . . . . . . . . 6090 1 1028 . 1 1 128 128 ASN CB C 13 39.315 0.100 . 1 . . . . . . . . 6090 1 1029 . 1 1 128 128 ASN N N 15 124.971 0.100 . 1 . . . . . . . . 6090 1 1030 . 1 1 129 129 ASP H H 1 7.870 0.010 . 1 . . . . . . . . 6090 1 1031 . 1 1 129 129 ASP HA H 1 4.409 0.010 . 1 . . . . . . . . 6090 1 1032 . 1 1 129 129 ASP C C 13 173.758 0.100 . 1 . . . . . . . . 6090 1 1033 . 1 1 129 129 ASP CA C 13 54.912 0.100 . 1 . . . . . . . . 6090 1 1034 . 1 1 129 129 ASP CB C 13 39.459 0.100 . 1 . . . . . . . . 6090 1 1035 . 1 1 129 129 ASP N N 15 121.706 0.100 . 1 . . . . . . . . 6090 1 1036 . 1 1 130 130 HIS H H 1 8.721 0.010 . 1 . . . . . . . . 6090 1 1037 . 1 1 130 130 HIS HA H 1 4.453 0.010 . 1 . . . . . . . . 6090 1 1038 . 1 1 130 130 HIS HB2 H 1 2.993 0.010 . 1 . . . . . . . . 6090 1 1039 . 1 1 130 130 HIS HB3 H 1 2.993 0.010 . 1 . . . . . . . . 6090 1 1040 . 1 1 130 130 HIS C C 13 175.157 0.100 . 1 . . . . . . . . 6090 1 1041 . 1 1 130 130 HIS CA C 13 56.478 0.100 . 1 . . . . . . . . 6090 1 1042 . 1 1 130 130 HIS CB C 13 32.629 0.100 . 1 . . . . . . . . 6090 1 1043 . 1 1 130 130 HIS N N 15 123.809 0.100 . 1 . . . . . . . . 6090 1 1044 . 1 1 131 131 GLY H H 1 8.281 0.010 . 1 . . . . . . . . 6090 1 1045 . 1 1 131 131 GLY HA2 H 1 4.692 0.010 . 1 . . . . . . . . 6090 1 1046 . 1 1 131 131 GLY HA3 H 1 3.877 0.010 . 1 . . . . . . . . 6090 1 1047 . 1 1 131 131 GLY C C 13 175.120 0.100 . 1 . . . . . . . . 6090 1 1048 . 1 1 131 131 GLY CA C 13 45.239 0.100 . 1 . . . . . . . . 6090 1 1049 . 1 1 131 131 GLY N N 15 111.886 0.100 . 1 . . . . . . . . 6090 1 1050 . 1 1 132 132 THR H H 1 8.657 0.010 . 1 . . . . . . . . 6090 1 1051 . 1 1 132 132 THR HA H 1 4.201 0.010 . 1 . . . . . . . . 6090 1 1052 . 1 1 132 132 THR HB H 1 4.164 0.010 . 1 . . . . . . . . 6090 1 1053 . 1 1 132 132 THR HG21 H 1 1.392 0.010 . 1 . . . . . . . . 6090 1 1054 . 1 1 132 132 THR HG22 H 1 1.392 0.010 . 1 . . . . . . . . 6090 1 1055 . 1 1 132 132 THR HG23 H 1 1.392 0.010 . 1 . . . . . . . . 6090 1 1056 . 1 1 132 132 THR CA C 13 64.662 0.100 . 1 . . . . . . . . 6090 1 1057 . 1 1 132 132 THR CB C 13 70.148 0.100 . 1 . . . . . . . . 6090 1 1058 . 1 1 132 132 THR CG2 C 13 22.050 0.100 . 1 . . . . . . . . 6090 1 1059 . 1 1 132 132 THR N N 15 112.171 0.100 . 1 . . . . . . . . 6090 1 1060 . 1 1 133 133 GLN H H 1 10.119 0.010 . 1 . . . . . . . . 6090 1 1061 . 1 1 133 133 GLN C C 13 175.785 0.100 . 1 . . . . . . . . 6090 1 1062 . 1 1 133 133 GLN CA C 13 56.664 0.100 . 1 . . . . . . . . 6090 1 1063 . 1 1 133 133 GLN CB C 13 27.340 0.100 . 1 . . . . . . . . 6090 1 1064 . 1 1 133 133 GLN N N 15 123.951 0.100 . 1 . . . . . . . . 6090 1 1065 . 1 1 134 134 TYR H H 1 7.236 0.010 . 1 . . . . . . . . 6090 1 1066 . 1 1 134 134 TYR HA H 1 5.019 0.010 . 1 . . . . . . . . 6090 1 1067 . 1 1 134 134 TYR C C 13 174.872 0.100 . 1 . . . . . . . . 6090 1 1068 . 1 1 134 134 TYR CA C 13 56.803 0.100 . 1 . . . . . . . . 6090 1 1069 . 1 1 134 134 TYR CB C 13 38.668 0.100 . 1 . . . . . . . . 6090 1 1070 . 1 1 134 134 TYR N N 15 119.799 0.100 . 1 . . . . . . . . 6090 1 1071 . 1 1 135 135 ARG HA H 1 5.183 0.010 . 1 . . . . . . . . 6090 1 1072 . 1 1 136 136 SER CA C 13 57.355 0.100 . 1 . . . . . . . . 6090 1 1073 . 1 1 136 136 SER CB C 13 61.380 0.100 . 1 . . . . . . . . 6090 1 1074 . 1 1 137 137 ALA H H 1 10.249 0.010 . 1 . . . . . . . . 6090 1 1075 . 1 1 137 137 ALA HA H 1 5.183 0.010 . 1 . . . . . . . . 6090 1 1076 . 1 1 137 137 ALA HB1 H 1 1.011 0.010 . 1 . . . . . . . . 6090 1 1077 . 1 1 137 137 ALA HB2 H 1 1.011 0.010 . 1 . . . . . . . . 6090 1 1078 . 1 1 137 137 ALA HB3 H 1 1.011 0.010 . 1 . . . . . . . . 6090 1 1079 . 1 1 137 137 ALA C C 13 174.376 0.100 . 1 . . . . . . . . 6090 1 1080 . 1 1 137 137 ALA CA C 13 53.526 0.100 . 1 . . . . . . . . 6090 1 1081 . 1 1 137 137 ALA CB C 13 24.064 0.100 . 1 . . . . . . . . 6090 1 1082 . 1 1 137 137 ALA N N 15 133.578 0.100 . 1 . . . . . . . . 6090 1 1083 . 1 1 138 138 ILE H H 1 8.295 0.010 . 1 . . . . . . . . 6090 1 1084 . 1 1 138 138 ILE HA H 1 3.650 0.010 . 1 . . . . . . . . 6090 1 1085 . 1 1 138 138 ILE HB H 1 1.174 0.010 . 1 . . . . . . . . 6090 1 1086 . 1 1 138 138 ILE HG21 H 1 0.649 0.010 . 1 . . . . . . . . 6090 1 1087 . 1 1 138 138 ILE HG22 H 1 0.649 0.010 . 1 . . . . . . . . 6090 1 1088 . 1 1 138 138 ILE HG23 H 1 0.649 0.010 . 1 . . . . . . . . 6090 1 1089 . 1 1 138 138 ILE HD11 H 1 0.304 0.010 . 1 . . . . . . . . 6090 1 1090 . 1 1 138 138 ILE HD12 H 1 0.304 0.010 . 1 . . . . . . . . 6090 1 1091 . 1 1 138 138 ILE HD13 H 1 0.304 0.010 . 1 . . . . . . . . 6090 1 1092 . 1 1 138 138 ILE C C 13 174.262 0.100 . 1 . . . . . . . . 6090 1 1093 . 1 1 138 138 ILE CA C 13 62.026 0.100 . 1 . . . . . . . . 6090 1 1094 . 1 1 138 138 ILE CB C 13 42.013 0.100 . 1 . . . . . . . . 6090 1 1095 . 1 1 138 138 ILE CG1 C 13 27.691 0.100 . 1 . . . . . . . . 6090 1 1096 . 1 1 138 138 ILE CG2 C 13 18.810 0.100 . 1 . . . . . . . . 6090 1 1097 . 1 1 138 138 ILE CD1 C 13 14.230 0.100 . 1 . . . . . . . . 6090 1 1098 . 1 1 138 138 ILE N N 15 118.850 0.100 . 1 . . . . . . . . 6090 1 1099 . 1 1 139 139 TYR H H 1 6.435 0.010 . 1 . . . . . . . . 6090 1 1100 . 1 1 139 139 TYR HA H 1 6.032 0.010 . 1 . . . . . . . . 6090 1 1101 . 1 1 139 139 TYR HB2 H 1 2.885 0.010 . 1 . . . . . . . . 6090 1 1102 . 1 1 139 139 TYR HB3 H 1 2.557 0.010 . 1 . . . . . . . . 6090 1 1103 . 1 1 139 139 TYR C C 13 174.262 0.100 . 1 . . . . . . . . 6090 1 1104 . 1 1 139 139 TYR CA C 13 53.833 0.100 . 1 . . . . . . . . 6090 1 1105 . 1 1 139 139 TYR CB C 13 39.315 0.100 . 1 . . . . . . . . 6090 1 1106 . 1 1 139 139 TYR N N 15 123.356 0.100 . 1 . . . . . . . . 6090 1 1107 . 1 1 140 140 PRO CA C 13 63.817 0.100 . 1 . . . . . . . . 6090 1 1108 . 1 1 140 140 PRO CB C 13 34.304 0.100 . 1 . . . . . . . . 6090 1 1109 . 1 1 141 141 LEU H H 1 8.665 0.010 . 1 . . . . . . . . 6090 1 1110 . 1 1 141 141 LEU HA H 1 4.424 0.010 . 1 . . . . . . . . 6090 1 1111 . 1 1 141 141 LEU C C 13 177.437 0.100 . 1 . . . . . . . . 6090 1 1112 . 1 1 141 141 LEU CA C 13 55.952 0.100 . 1 . . . . . . . . 6090 1 1113 . 1 1 141 141 LEU CB C 13 45.439 0.100 . 1 . . . . . . . . 6090 1 1114 . 1 1 141 141 LEU N N 15 123.056 0.100 . 1 . . . . . . . . 6090 1 1115 . 1 1 142 142 THR H H 1 7.014 0.010 . 1 . . . . . . . . 6090 1 1116 . 1 1 142 142 THR HA H 1 4.930 0.010 . 1 . . . . . . . . 6090 1 1117 . 1 1 142 142 THR HB H 1 4.651 0.010 . 1 . . . . . . . . 6090 1 1118 . 1 1 142 142 THR HG21 H 1 1.079 0.010 . 1 . . . . . . . . 6090 1 1119 . 1 1 142 142 THR HG22 H 1 1.079 0.010 . 1 . . . . . . . . 6090 1 1120 . 1 1 142 142 THR HG23 H 1 1.079 0.010 . 1 . . . . . . . . 6090 1 1121 . 1 1 142 142 THR C C 13 173.804 0.100 . 1 . . . . . . . . 6090 1 1122 . 1 1 142 142 THR CA C 13 57.976 0.100 . 1 . . . . . . . . 6090 1 1123 . 1 1 142 142 THR CB C 13 70.825 0.100 . 1 . . . . . . . . 6090 1 1124 . 1 1 142 142 THR N N 15 107.727 0.100 . 1 . . . . . . . . 6090 1 1125 . 1 1 143 143 PRO C C 13 179.811 0.100 . 1 . . . . . . . . 6090 1 1126 . 1 1 143 143 PRO CA C 13 64.907 0.100 . 1 . . . . . . . . 6090 1 1127 . 1 1 143 143 PRO CB C 13 32.279 0.100 . 1 . . . . . . . . 6090 1 1128 . 1 1 144 144 GLU H H 1 8.680 0.010 . 1 . . . . . . . . 6090 1 1129 . 1 1 144 144 GLU HA H 1 4.052 0.010 . 1 . . . . . . . . 6090 1 1130 . 1 1 144 144 GLU HB2 H 1 2.092 0.010 . 1 . . . . . . . . 6090 1 1131 . 1 1 144 144 GLU HB3 H 1 1.903 0.010 . 1 . . . . . . . . 6090 1 1132 . 1 1 144 144 GLU HG2 H 1 2.472 0.010 . 1 . . . . . . . . 6090 1 1133 . 1 1 144 144 GLU HG3 H 1 2.208 0.010 . 1 . . . . . . . . 6090 1 1134 . 1 1 144 144 GLU C C 13 181.385 0.100 . 1 . . . . . . . . 6090 1 1135 . 1 1 144 144 GLU CA C 13 61.325 0.100 . 1 . . . . . . . . 6090 1 1136 . 1 1 144 144 GLU CB C 13 28.853 0.100 . 1 . . . . . . . . 6090 1 1137 . 1 1 144 144 GLU CG C 13 37.975 0.100 . 1 . . . . . . . . 6090 1 1138 . 1 1 144 144 GLU N N 15 118.985 0.100 . 1 . . . . . . . . 6090 1 1139 . 1 1 145 145 GLN H H 1 7.914 0.010 . 1 . . . . . . . . 6090 1 1140 . 1 1 145 145 GLN HA H 1 3.814 0.010 . 1 . . . . . . . . 6090 1 1141 . 1 1 145 145 GLN C C 13 178.383 0.100 . 1 . . . . . . . . 6090 1 1142 . 1 1 145 145 GLN CA C 13 59.368 0.100 . 1 . . . . . . . . 6090 1 1143 . 1 1 145 145 GLN N N 15 120.608 0.100 . 1 . . . . . . . . 6090 1 1144 . 1 1 146 146 ASP H H 1 8.095 0.010 . 1 . . . . . . . . 6090 1 1145 . 1 1 146 146 ASP HA H 1 4.082 0.010 . 1 . . . . . . . . 6090 1 1146 . 1 1 146 146 ASP HB2 H 1 2.807 0.010 . 1 . . . . . . . . 6090 1 1147 . 1 1 146 146 ASP HB3 H 1 2.524 0.010 . 1 . . . . . . . . 6090 1 1148 . 1 1 146 146 ASP C C 13 177.752 0.100 . 1 . . . . . . . . 6090 1 1149 . 1 1 146 146 ASP CA C 13 59.036 0.100 . 1 . . . . . . . . 6090 1 1150 . 1 1 146 146 ASP CB C 13 43.412 0.100 . 1 . . . . . . . . 6090 1 1151 . 1 1 146 146 ASP N N 15 120.553 0.100 . 1 . . . . . . . . 6090 1 1152 . 1 1 147 147 ALA H H 1 8.135 0.010 . 1 . . . . . . . . 6090 1 1153 . 1 1 147 147 ALA HA H 1 4.022 0.010 . 1 . . . . . . . . 6090 1 1154 . 1 1 147 147 ALA HB1 H 1 1.498 0.010 . 1 . . . . . . . . 6090 1 1155 . 1 1 147 147 ALA HB2 H 1 1.498 0.010 . 1 . . . . . . . . 6090 1 1156 . 1 1 147 147 ALA HB3 H 1 1.498 0.010 . 1 . . . . . . . . 6090 1 1157 . 1 1 147 147 ALA C C 13 181.871 0.100 . 1 . . . . . . . . 6090 1 1158 . 1 1 147 147 ALA CA C 13 55.824 0.100 . 1 . . . . . . . . 6090 1 1159 . 1 1 147 147 ALA CB C 13 18.412 0.100 . 1 . . . . . . . . 6090 1 1160 . 1 1 147 147 ALA N N 15 119.382 0.100 . 1 . . . . . . . . 6090 1 1161 . 1 1 148 148 ALA H H 1 7.677 0.010 . 1 . . . . . . . . 6090 1 1162 . 1 1 148 148 ALA HA H 1 4.334 0.010 . 1 . . . . . . . . 6090 1 1163 . 1 1 148 148 ALA HB1 H 1 1.723 0.010 . 1 . . . . . . . . 6090 1 1164 . 1 1 148 148 ALA HB2 H 1 1.723 0.010 . 1 . . . . . . . . 6090 1 1165 . 1 1 148 148 ALA HB3 H 1 1.723 0.010 . 1 . . . . . . . . 6090 1 1166 . 1 1 148 148 ALA C C 13 181.880 0.100 . 1 . . . . . . . . 6090 1 1167 . 1 1 148 148 ALA CA C 13 55.523 0.100 . 1 . . . . . . . . 6090 1 1168 . 1 1 148 148 ALA CB C 13 19.190 0.100 . 1 . . . . . . . . 6090 1 1169 . 1 1 148 148 ALA N N 15 120.553 0.100 . 1 . . . . . . . . 6090 1 1170 . 1 1 149 149 ALA H H 1 9.517 0.010 . 1 . . . . . . . . 6090 1 1171 . 1 1 149 149 ALA HA H 1 4.260 0.010 . 1 . . . . . . . . 6090 1 1172 . 1 1 149 149 ALA HB1 H 1 1.717 0.010 . 1 . . . . . . . . 6090 1 1173 . 1 1 149 149 ALA HB2 H 1 1.717 0.010 . 1 . . . . . . . . 6090 1 1174 . 1 1 149 149 ALA HB3 H 1 1.717 0.010 . 1 . . . . . . . . 6090 1 1175 . 1 1 149 149 ALA C C 13 181.757 0.100 . 1 . . . . . . . . 6090 1 1176 . 1 1 149 149 ALA CA C 13 55.974 0.100 . 1 . . . . . . . . 6090 1 1177 . 1 1 149 149 ALA CB C 13 19.252 0.100 . 1 . . . . . . . . 6090 1 1178 . 1 1 149 149 ALA N N 15 123.694 0.100 . 1 . . . . . . . . 6090 1 1179 . 1 1 150 150 ARG H H 1 8.601 0.010 . 1 . . . . . . . . 6090 1 1180 . 1 1 150 150 ARG HA H 1 3.858 0.010 . 1 . . . . . . . . 6090 1 1181 . 1 1 150 150 ARG C C 13 179.754 0.100 . 1 . . . . . . . . 6090 1 1182 . 1 1 150 150 ARG CA C 13 61.091 0.100 . 1 . . . . . . . . 6090 1 1183 . 1 1 150 150 ARG CB C 13 29.865 0.100 . 1 . . . . . . . . 6090 1 1184 . 1 1 150 150 ARG N N 15 119.249 0.100 . 1 . . . . . . . . 6090 1 1185 . 1 1 151 151 ALA H H 1 7.997 0.010 . 1 . . . . . . . . 6090 1 1186 . 1 1 151 151 ALA HA H 1 4.245 0.010 . 1 . . . . . . . . 6090 1 1187 . 1 1 151 151 ALA HB1 H 1 1.536 0.010 . 1 . . . . . . . . 6090 1 1188 . 1 1 151 151 ALA HB2 H 1 1.536 0.010 . 1 . . . . . . . . 6090 1 1189 . 1 1 151 151 ALA HB3 H 1 1.536 0.010 . 1 . . . . . . . . 6090 1 1190 . 1 1 151 151 ALA C C 13 181.270 0.100 . 1 . . . . . . . . 6090 1 1191 . 1 1 151 151 ALA CA C 13 55.630 0.100 . 1 . . . . . . . . 6090 1 1192 . 1 1 151 151 ALA CB C 13 18.400 0.100 . 1 . . . . . . . . 6090 1 1193 . 1 1 151 151 ALA N N 15 121.786 0.100 . 1 . . . . . . . . 6090 1 1194 . 1 1 152 152 SER H H 1 8.384 0.010 . 1 . . . . . . . . 6090 1 1195 . 1 1 152 152 SER HA H 1 3.918 0.010 . 1 . . . . . . . . 6090 1 1196 . 1 1 152 152 SER CA C 13 62.430 0.100 . 1 . . . . . . . . 6090 1 1197 . 1 1 152 152 SER N N 15 114.568 0.100 . 1 . . . . . . . . 6090 1 1198 . 1 1 153 153 LEU H H 1 7.669 0.010 . 1 . . . . . . . . 6090 1 1199 . 1 1 153 153 LEU HA H 1 3.561 0.010 . 1 . . . . . . . . 6090 1 1200 . 1 1 153 153 LEU HB2 H 1 1.978 0.010 . 1 . . . . . . . . 6090 1 1201 . 1 1 153 153 LEU HB3 H 1 1.978 0.010 . 1 . . . . . . . . 6090 1 1202 . 1 1 153 153 LEU HG H 1 1.870 0.010 . 1 . . . . . . . . 6090 1 1203 . 1 1 153 153 LEU HD11 H 1 1.143 0.010 . 1 . . . . . . . . 6090 1 1204 . 1 1 153 153 LEU HD12 H 1 1.143 0.010 . 1 . . . . . . . . 6090 1 1205 . 1 1 153 153 LEU HD13 H 1 1.143 0.010 . 1 . . . . . . . . 6090 1 1206 . 1 1 153 153 LEU HD21 H 1 0.916 0.010 . 1 . . . . . . . . 6090 1 1207 . 1 1 153 153 LEU HD22 H 1 0.916 0.010 . 1 . . . . . . . . 6090 1 1208 . 1 1 153 153 LEU HD23 H 1 0.916 0.010 . 1 . . . . . . . . 6090 1 1209 . 1 1 153 153 LEU C C 13 178.867 0.100 . 1 . . . . . . . . 6090 1 1210 . 1 1 153 153 LEU CA C 13 60.242 0.100 . 1 . . . . . . . . 6090 1 1211 . 1 1 153 153 LEU CB C 13 42.674 0.100 . 1 . . . . . . . . 6090 1 1212 . 1 1 153 153 LEU CG C 13 29.010 0.100 . 1 . . . . . . . . 6090 1 1213 . 1 1 153 153 LEU CD1 C 13 28.337 0.100 . 1 . . . . . . . . 6090 1 1214 . 1 1 153 153 LEU CD2 C 13 24.751 0.100 . 1 . . . . . . . . 6090 1 1215 . 1 1 153 153 LEU N N 15 126.288 0.100 . 1 . . . . . . . . 6090 1 1216 . 1 1 154 154 GLU H H 1 7.100 0.010 . 1 . . . . . . . . 6090 1 1217 . 1 1 154 154 GLU HA H 1 3.918 0.010 . 1 . . . . . . . . 6090 1 1218 . 1 1 154 154 GLU HB2 H 1 2.093 0.010 . 1 . . . . . . . . 6090 1 1219 . 1 1 154 154 GLU HB3 H 1 2.093 0.010 . 1 . . . . . . . . 6090 1 1220 . 1 1 154 154 GLU HG2 H 1 2.410 0.010 . 1 . . . . . . . . 6090 1 1221 . 1 1 154 154 GLU HG3 H 1 2.500 0.010 . 1 . . . . . . . . 6090 1 1222 . 1 1 154 154 GLU C C 13 180.841 0.100 . 1 . . . . . . . . 6090 1 1223 . 1 1 154 154 GLU CA C 13 60.087 0.100 . 1 . . . . . . . . 6090 1 1224 . 1 1 154 154 GLU CB C 13 29.453 0.100 . 1 . . . . . . . . 6090 1 1225 . 1 1 154 154 GLU CG C 13 36.630 0.100 . 1 . . . . . . . . 6090 1 1226 . 1 1 154 154 GLU N N 15 117.574 0.100 . 1 . . . . . . . . 6090 1 1227 . 1 1 155 155 ARG H H 1 7.715 0.010 . 1 . . . . . . . . 6090 1 1228 . 1 1 155 155 ARG HA H 1 4.067 0.010 . 1 . . . . . . . . 6090 1 1229 . 1 1 155 155 ARG C C 13 179.382 0.100 . 1 . . . . . . . . 6090 1 1230 . 1 1 155 155 ARG CA C 13 60.230 0.100 . 1 . . . . . . . . 6090 1 1231 . 1 1 155 155 ARG CB C 13 31.121 0.100 . 1 . . . . . . . . 6090 1 1232 . 1 1 155 155 ARG N N 15 117.730 0.100 . 1 . . . . . . . . 6090 1 1233 . 1 1 156 156 PHE H H 1 8.555 0.010 . 1 . . . . . . . . 6090 1 1234 . 1 1 156 156 PHE HA H 1 3.769 0.010 . 1 . . . . . . . . 6090 1 1235 . 1 1 156 156 PHE HB2 H 1 2.000 0.010 . 1 . . . . . . . . 6090 1 1236 . 1 1 156 156 PHE HB3 H 1 1.780 0.010 . 1 . . . . . . . . 6090 1 1237 . 1 1 156 156 PHE C C 13 177.609 0.100 . 1 . . . . . . . . 6090 1 1238 . 1 1 156 156 PHE CA C 13 63.321 0.100 . 1 . . . . . . . . 6090 1 1239 . 1 1 156 156 PHE CB C 13 37.604 0.100 . 1 . . . . . . . . 6090 1 1240 . 1 1 156 156 PHE N N 15 123.079 0.100 . 1 . . . . . . . . 6090 1 1241 . 1 1 157 157 GLN H H 1 8.562 0.010 . 1 . . . . . . . . 6090 1 1242 . 1 1 157 157 GLN HA H 1 4.141 0.010 . 1 . . . . . . . . 6090 1 1243 . 1 1 157 157 GLN C C 13 179.297 0.100 . 1 . . . . . . . . 6090 1 1244 . 1 1 157 157 GLN CA C 13 58.755 0.100 . 1 . . . . . . . . 6090 1 1245 . 1 1 157 157 GLN CB C 13 29.681 0.100 . 1 . . . . . . . . 6090 1 1246 . 1 1 157 157 GLN N N 15 118.235 0.100 . 1 . . . . . . . . 6090 1 1247 . 1 1 158 158 ALA H H 1 7.325 0.010 . 1 . . . . . . . . 6090 1 1248 . 1 1 158 158 ALA HA H 1 4.067 0.010 . 1 . . . . . . . . 6090 1 1249 . 1 1 158 158 ALA C C 13 180.956 0.100 . 1 . . . . . . . . 6090 1 1250 . 1 1 158 158 ALA CA C 13 55.175 0.100 . 1 . . . . . . . . 6090 1 1251 . 1 1 158 158 ALA CB C 13 18.256 0.100 . 1 . . . . . . . . 6090 1 1252 . 1 1 158 158 ALA N N 15 120.305 0.100 . 1 . . . . . . . . 6090 1 1253 . 1 1 159 159 ALA H H 1 7.802 0.010 . 1 . . . . . . . . 6090 1 1254 . 1 1 159 159 ALA HA H 1 3.963 0.010 . 1 . . . . . . . . 6090 1 1255 . 1 1 159 159 ALA C C 13 181.270 0.100 . 1 . . . . . . . . 6090 1 1256 . 1 1 159 159 ALA CA C 13 55.387 0.100 . 1 . . . . . . . . 6090 1 1257 . 1 1 159 159 ALA CB C 13 18.256 0.100 . 1 . . . . . . . . 6090 1 1258 . 1 1 159 159 ALA N N 15 124.242 0.100 . 1 . . . . . . . . 6090 1 1259 . 1 1 160 160 MET H H 1 8.267 0.010 . 1 . . . . . . . . 6090 1 1260 . 1 1 160 160 MET HA H 1 3.576 0.010 . 1 . . . . . . . . 6090 1 1261 . 1 1 160 160 MET HE1 H 1 1.741 0.010 . 1 . . . . . . . . 6090 1 1262 . 1 1 160 160 MET HE2 H 1 1.741 0.010 . 1 . . . . . . . . 6090 1 1263 . 1 1 160 160 MET HE3 H 1 1.741 0.010 . 1 . . . . . . . . 6090 1 1264 . 1 1 160 160 MET C C 13 178.706 0.100 . 1 . . . . . . . . 6090 1 1265 . 1 1 160 160 MET CA C 13 61.072 0.100 . 1 . . . . . . . . 6090 1 1266 . 1 1 160 160 MET CB C 13 33.206 0.100 . 1 . . . . . . . . 6090 1 1267 . 1 1 160 160 MET CE C 13 16.268 0.100 . 1 . . . . . . . . 6090 1 1268 . 1 1 160 160 MET N N 15 120.449 0.100 . 1 . . . . . . . . 6090 1 1269 . 1 1 161 161 LEU H H 1 7.453 0.010 . 1 . . . . . . . . 6090 1 1270 . 1 1 161 161 LEU HA H 1 3.882 0.010 . 1 . . . . . . . . 6090 1 1271 . 1 1 161 161 LEU HD11 H 1 0.849 0.010 . 1 . . . . . . . . 6090 1 1272 . 1 1 161 161 LEU HD12 H 1 0.849 0.010 . 1 . . . . . . . . 6090 1 1273 . 1 1 161 161 LEU HD13 H 1 0.849 0.010 . 1 . . . . . . . . 6090 1 1274 . 1 1 161 161 LEU HD21 H 1 0.849 0.010 . 1 . . . . . . . . 6090 1 1275 . 1 1 161 161 LEU HD22 H 1 0.849 0.010 . 1 . . . . . . . . 6090 1 1276 . 1 1 161 161 LEU HD23 H 1 0.849 0.010 . 1 . . . . . . . . 6090 1 1277 . 1 1 161 161 LEU CA C 13 58.721 0.100 . 1 . . . . . . . . 6090 1 1278 . 1 1 161 161 LEU CB C 13 41.830 0.100 . 1 . . . . . . . . 6090 1 1279 . 1 1 161 161 LEU CD1 C 13 24.733 0.100 . 1 . . . . . . . . 6090 1 1280 . 1 1 161 161 LEU CD2 C 13 24.733 0.100 . 1 . . . . . . . . 6090 1 1281 . 1 1 162 162 ALA H H 1 7.901 0.010 . 1 . . . . . . . . 6090 1 1282 . 1 1 162 162 ALA HA H 1 4.126 0.010 . 1 . . . . . . . . 6090 1 1283 . 1 1 162 162 ALA C C 13 178.295 0.100 . 1 . . . . . . . . 6090 1 1284 . 1 1 162 162 ALA CA C 13 54.813 0.100 . 1 . . . . . . . . 6090 1 1285 . 1 1 162 162 ALA CB C 13 18.184 0.100 . 1 . . . . . . . . 6090 1 1286 . 1 1 162 162 ALA N N 15 122.161 0.100 . 1 . . . . . . . . 6090 1 1287 . 1 1 163 163 ALA H H 1 7.363 0.010 . 1 . . . . . . . . 6090 1 1288 . 1 1 163 163 ALA HA H 1 4.409 0.010 . 1 . . . . . . . . 6090 1 1289 . 1 1 163 163 ALA HB1 H 1 1.325 0.010 . 1 . . . . . . . . 6090 1 1290 . 1 1 163 163 ALA HB2 H 1 1.325 0.010 . 1 . . . . . . . . 6090 1 1291 . 1 1 163 163 ALA HB3 H 1 1.325 0.010 . 1 . . . . . . . . 6090 1 1292 . 1 1 163 163 ALA C C 13 176.751 0.100 . 1 . . . . . . . . 6090 1 1293 . 1 1 163 163 ALA CA C 13 51.935 0.100 . 1 . . . . . . . . 6090 1 1294 . 1 1 163 163 ALA CB C 13 18.879 0.100 . 1 . . . . . . . . 6090 1 1295 . 1 1 163 163 ALA N N 15 121.576 0.100 . 1 . . . . . . . . 6090 1 1296 . 1 1 164 164 ASP H H 1 7.848 0.010 . 1 . . . . . . . . 6090 1 1297 . 1 1 164 164 ASP HA H 1 4.171 0.010 . 1 . . . . . . . . 6090 1 1298 . 1 1 164 164 ASP HB2 H 1 2.993 0.010 . 1 . . . . . . . . 6090 1 1299 . 1 1 164 164 ASP HB3 H 1 2.663 0.010 . 1 . . . . . . . . 6090 1 1300 . 1 1 164 164 ASP C C 13 174.348 0.100 . 1 . . . . . . . . 6090 1 1301 . 1 1 164 164 ASP CA C 13 56.368 0.100 . 1 . . . . . . . . 6090 1 1302 . 1 1 164 164 ASP CB C 13 39.335 0.100 . 1 . . . . . . . . 6090 1 1303 . 1 1 164 164 ASP N N 15 114.654 0.100 . 1 . . . . . . . . 6090 1 1304 . 1 1 165 165 ASP H H 1 8.032 0.010 . 1 . . . . . . . . 6090 1 1305 . 1 1 165 165 ASP HA H 1 4.602 0.010 . 1 . . . . . . . . 6090 1 1306 . 1 1 165 165 ASP CA C 13 53.348 0.100 . 1 . . . . . . . . 6090 1 1307 . 1 1 165 165 ASP CB C 13 41.759 0.100 . 1 . . . . . . . . 6090 1 1308 . 1 1 165 165 ASP N N 15 119.884 0.100 . 1 . . . . . . . . 6090 1 1309 . 1 1 166 166 ASP H H 1 7.915 0.010 . 1 . . . . . . . . 6090 1 1310 . 1 1 166 166 ASP HA H 1 4.409 0.010 . 1 . . . . . . . . 6090 1 1311 . 1 1 166 166 ASP HB2 H 1 2.736 0.010 . 1 . . . . . . . . 6090 1 1312 . 1 1 166 166 ASP HB3 H 1 2.425 0.010 . 1 . . . . . . . . 6090 1 1313 . 1 1 166 166 ASP C C 13 177.466 0.100 . 1 . . . . . . . . 6090 1 1314 . 1 1 166 166 ASP CA C 13 53.606 0.100 . 1 . . . . . . . . 6090 1 1315 . 1 1 166 166 ASP CB C 13 40.609 0.100 . 1 . . . . . . . . 6090 1 1316 . 1 1 166 166 ASP N N 15 122.008 0.100 . 1 . . . . . . . . 6090 1 1317 . 1 1 167 167 ARG H H 1 7.610 0.010 . 1 . . . . . . . . 6090 1 1318 . 1 1 167 167 ARG HA H 1 4.156 0.010 . 1 . . . . . . . . 6090 1 1319 . 1 1 167 167 ARG C C 13 176.779 0.100 . 1 . . . . . . . . 6090 1 1320 . 1 1 167 167 ARG CA C 13 56.884 0.100 . 1 . . . . . . . . 6090 1 1321 . 1 1 167 167 ARG CB C 13 32.648 0.100 . 1 . . . . . . . . 6090 1 1322 . 1 1 167 167 ARG N N 15 119.949 0.100 . 1 . . . . . . . . 6090 1 1323 . 1 1 168 168 HIS H H 1 8.390 0.010 . 1 . . . . . . . . 6090 1 1324 . 1 1 168 168 HIS HA H 1 4.677 0.010 . 1 . . . . . . . . 6090 1 1325 . 1 1 168 168 HIS HB2 H 1 3.029 0.010 . 1 . . . . . . . . 6090 1 1326 . 1 1 168 168 HIS HB3 H 1 3.029 0.010 . 1 . . . . . . . . 6090 1 1327 . 1 1 168 168 HIS C C 13 175.664 0.100 . 1 . . . . . . . . 6090 1 1328 . 1 1 168 168 HIS CA C 13 55.331 0.100 . 1 . . . . . . . . 6090 1 1329 . 1 1 168 168 HIS CB C 13 30.259 0.100 . 1 . . . . . . . . 6090 1 1330 . 1 1 168 168 HIS N N 15 119.231 0.100 . 1 . . . . . . . . 6090 1 1331 . 1 1 169 169 ILE H H 1 8.770 0.010 . 1 . . . . . . . . 6090 1 1332 . 1 1 169 169 ILE HA H 1 3.722 0.010 . 1 . . . . . . . . 6090 1 1333 . 1 1 169 169 ILE HB H 1 1.680 0.010 . 1 . . . . . . . . 6090 1 1334 . 1 1 169 169 ILE C C 13 177.952 0.100 . 1 . . . . . . . . 6090 1 1335 . 1 1 169 169 ILE CA C 13 64.840 0.100 . 1 . . . . . . . . 6090 1 1336 . 1 1 169 169 ILE CB C 13 40.265 0.100 . 1 . . . . . . . . 6090 1 1337 . 1 1 169 169 ILE N N 15 126.232 0.100 . 1 . . . . . . . . 6090 1 1338 . 1 1 170 170 THR H H 1 9.915 0.010 . 1 . . . . . . . . 6090 1 1339 . 1 1 170 170 THR HA H 1 3.750 0.010 . 1 . . . . . . . . 6090 1 1340 . 1 1 170 170 THR CA C 13 62.777 0.100 . 1 . . . . . . . . 6090 1 1341 . 1 1 170 170 THR N N 15 118.746 0.100 . 1 . . . . . . . . 6090 1 1342 . 1 1 171 171 THR H H 1 7.766 0.010 . 1 . . . . . . . . 6090 1 1343 . 1 1 171 171 THR HA H 1 4.275 0.010 . 1 . . . . . . . . 6090 1 1344 . 1 1 171 171 THR CA C 13 65.696 0.100 . 1 . . . . . . . . 6090 1 1345 . 1 1 171 171 THR CB C 13 71.011 0.100 . 1 . . . . . . . . 6090 1 1346 . 1 1 171 171 THR N N 15 122.927 0.100 . 1 . . . . . . . . 6090 1 1347 . 1 1 172 172 GLU H H 1 8.312 0.010 . 1 . . . . . . . . 6090 1 1348 . 1 1 172 172 GLU HA H 1 4.290 0.010 . 1 . . . . . . . . 6090 1 1349 . 1 1 172 172 GLU C C 13 174.662 0.100 . 1 . . . . . . . . 6090 1 1350 . 1 1 172 172 GLU CA C 13 55.329 0.100 . 1 . . . . . . . . 6090 1 1351 . 1 1 172 172 GLU CB C 13 31.344 0.100 . 1 . . . . . . . . 6090 1 1352 . 1 1 172 172 GLU N N 15 130.033 0.100 . 1 . . . . . . . . 6090 1 1353 . 1 1 173 173 ILE H H 1 8.134 0.010 . 1 . . . . . . . . 6090 1 1354 . 1 1 173 173 ILE HA H 1 4.959 0.010 . 1 . . . . . . . . 6090 1 1355 . 1 1 173 173 ILE HB H 1 1.650 0.010 . 1 . . . . . . . . 6090 1 1356 . 1 1 173 173 ILE HD11 H 1 0.840 0.010 . 1 . . . . . . . . 6090 1 1357 . 1 1 173 173 ILE HD12 H 1 0.840 0.010 . 1 . . . . . . . . 6090 1 1358 . 1 1 173 173 ILE HD13 H 1 0.840 0.010 . 1 . . . . . . . . 6090 1 1359 . 1 1 173 173 ILE C C 13 175.778 0.100 . 1 . . . . . . . . 6090 1 1360 . 1 1 173 173 ILE CA C 13 61.558 0.100 . 1 . . . . . . . . 6090 1 1361 . 1 1 173 173 ILE CB C 13 38.596 0.100 . 1 . . . . . . . . 6090 1 1362 . 1 1 173 173 ILE CD1 C 13 15.027 0.100 . 1 . . . . . . . . 6090 1 1363 . 1 1 173 173 ILE N N 15 124.619 0.100 . 1 . . . . . . . . 6090 1 1364 . 1 1 174 174 ALA H H 1 7.909 0.010 . 1 . . . . . . . . 6090 1 1365 . 1 1 174 174 ALA HA H 1 4.662 0.010 . 1 . . . . . . . . 6090 1 1366 . 1 1 174 174 ALA HB1 H 1 1.343 0.010 . 1 . . . . . . . . 6090 1 1367 . 1 1 174 174 ALA HB2 H 1 1.343 0.010 . 1 . . . . . . . . 6090 1 1368 . 1 1 174 174 ALA HB3 H 1 1.343 0.010 . 1 . . . . . . . . 6090 1 1369 . 1 1 174 174 ALA C C 13 175.435 0.100 . 1 . . . . . . . . 6090 1 1370 . 1 1 174 174 ALA CA C 13 51.046 0.100 . 1 . . . . . . . . 6090 1 1371 . 1 1 174 174 ALA CB C 13 22.934 0.100 . 1 . . . . . . . . 6090 1 1372 . 1 1 174 174 ALA N N 15 129.709 0.100 . 1 . . . . . . . . 6090 1 1373 . 1 1 175 175 ASN H H 1 8.228 0.010 . 1 . . . . . . . . 6090 1 1374 . 1 1 175 175 ASN HA H 1 4.364 0.010 . 1 . . . . . . . . 6090 1 1375 . 1 1 175 175 ASN HB2 H 1 2.755 0.010 . 1 . . . . . . . . 6090 1 1376 . 1 1 175 175 ASN HB3 H 1 2.535 0.010 . 1 . . . . . . . . 6090 1 1377 . 1 1 175 175 ASN C C 13 177.123 0.100 . 1 . . . . . . . . 6090 1 1378 . 1 1 175 175 ASN CA C 13 54.472 0.100 . 1 . . . . . . . . 6090 1 1379 . 1 1 175 175 ASN CB C 13 38.586 0.100 . 1 . . . . . . . . 6090 1 1380 . 1 1 175 175 ASN N N 15 117.786 0.100 . 1 . . . . . . . . 6090 1 1381 . 1 1 176 176 ALA H H 1 7.703 0.010 . 1 . . . . . . . . 6090 1 1382 . 1 1 176 176 ALA HA H 1 4.052 0.010 . 1 . . . . . . . . 6090 1 1383 . 1 1 176 176 ALA HB1 H 1 1.207 0.010 . 1 . . . . . . . . 6090 1 1384 . 1 1 176 176 ALA HB2 H 1 1.207 0.010 . 1 . . . . . . . . 6090 1 1385 . 1 1 176 176 ALA HB3 H 1 1.207 0.010 . 1 . . . . . . . . 6090 1 1386 . 1 1 176 176 ALA C C 13 178.181 0.100 . 1 . . . . . . . . 6090 1 1387 . 1 1 176 176 ALA CA C 13 54.316 0.100 . 1 . . . . . . . . 6090 1 1388 . 1 1 176 176 ALA CB C 13 19.352 0.100 . 1 . . . . . . . . 6090 1 1389 . 1 1 176 176 ALA N N 15 123.896 0.100 . 1 . . . . . . . . 6090 1 1390 . 1 1 177 177 THR H H 1 8.715 0.010 . 1 . . . . . . . . 6090 1 1391 . 1 1 177 177 THR HA H 1 4.468 0.010 . 1 . . . . . . . . 6090 1 1392 . 1 1 177 177 THR HB H 1 4.578 0.010 . 1 . . . . . . . . 6090 1 1393 . 1 1 177 177 THR HG21 H 1 1.134 0.010 . 1 . . . . . . . . 6090 1 1394 . 1 1 177 177 THR HG22 H 1 1.134 0.010 . 1 . . . . . . . . 6090 1 1395 . 1 1 177 177 THR HG23 H 1 1.134 0.010 . 1 . . . . . . . . 6090 1 1396 . 1 1 177 177 THR C C 13 172.174 0.100 . 1 . . . . . . . . 6090 1 1397 . 1 1 177 177 THR CA C 13 60.468 0.100 . 1 . . . . . . . . 6090 1 1398 . 1 1 177 177 THR CB C 13 68.411 0.100 . 1 . . . . . . . . 6090 1 1399 . 1 1 177 177 THR CG2 C 13 22.700 0.100 . 1 . . . . . . . . 6090 1 1400 . 1 1 177 177 THR N N 15 117.587 0.100 . 1 . . . . . . . . 6090 1 1401 . 1 1 178 178 PRO CA C 13 65.685 0.100 . 1 . . . . . . . . 6090 1 1402 . 1 1 178 178 PRO CB C 13 31.500 0.100 . 1 . . . . . . . . 6090 1 1403 . 1 1 179 179 PHE H H 1 8.561 0.010 . 1 . . . . . . . . 6090 1 1404 . 1 1 179 179 PHE HA H 1 4.007 0.010 . 1 . . . . . . . . 6090 1 1405 . 1 1 179 179 PHE C C 13 173.633 0.100 . 1 . . . . . . . . 6090 1 1406 . 1 1 179 179 PHE CA C 13 57.587 0.100 . 1 . . . . . . . . 6090 1 1407 . 1 1 179 179 PHE CB C 13 40.066 0.100 . 1 . . . . . . . . 6090 1 1408 . 1 1 179 179 PHE N N 15 126.691 0.100 . 1 . . . . . . . . 6090 1 1409 . 1 1 180 180 TYR H H 1 7.903 0.010 . 1 . . . . . . . . 6090 1 1410 . 1 1 180 180 TYR HA H 1 4.751 0.010 . 1 . . . . . . . . 6090 1 1411 . 1 1 180 180 TYR C C 13 174.348 0.100 . 1 . . . . . . . . 6090 1 1412 . 1 1 180 180 TYR CA C 13 56.481 0.100 . 1 . . . . . . . . 6090 1 1413 . 1 1 180 180 TYR CB C 13 39.287 0.100 . 1 . . . . . . . . 6090 1 1414 . 1 1 180 180 TYR N N 15 128.601 0.100 . 1 . . . . . . . . 6090 1 1415 . 1 1 181 181 TYR H H 1 9.388 0.010 . 1 . . . . . . . . 6090 1 1416 . 1 1 181 181 TYR C C 13 175.807 0.100 . 1 . . . . . . . . 6090 1 1417 . 1 1 181 181 TYR CA C 13 60.702 0.100 . 1 . . . . . . . . 6090 1 1418 . 1 1 181 181 TYR CB C 13 39.091 0.100 . 1 . . . . . . . . 6090 1 1419 . 1 1 181 181 TYR N N 15 124.315 0.100 . 1 . . . . . . . . 6090 1 1420 . 1 1 182 182 ALA H H 1 7.779 0.010 . 1 . . . . . . . . 6090 1 1421 . 1 1 182 182 ALA HA H 1 3.888 0.010 . 1 . . . . . . . . 6090 1 1422 . 1 1 182 182 ALA C C 13 176.379 0.100 . 1 . . . . . . . . 6090 1 1423 . 1 1 182 182 ALA CA C 13 51.173 0.100 . 1 . . . . . . . . 6090 1 1424 . 1 1 182 182 ALA CB C 13 20.594 0.100 . 1 . . . . . . . . 6090 1 1425 . 1 1 182 182 ALA N N 15 121.686 0.100 . 1 . . . . . . . . 6090 1 1426 . 1 1 183 183 GLU H H 1 11.381 0.010 . 1 . . . . . . . . 6090 1 1427 . 1 1 183 183 GLU C C 13 178.324 0.100 . 1 . . . . . . . . 6090 1 1428 . 1 1 183 183 GLU CA C 13 58.626 0.100 . 1 . . . . . . . . 6090 1 1429 . 1 1 183 183 GLU CB C 13 31.043 0.100 . 1 . . . . . . . . 6090 1 1430 . 1 1 183 183 GLU N N 15 120.883 0.100 . 1 . . . . . . . . 6090 1 1431 . 1 1 184 184 ASP H H 1 8.676 0.010 . 1 . . . . . . . . 6090 1 1432 . 1 1 184 184 ASP HA H 1 4.662 0.010 . 1 . . . . . . . . 6090 1 1433 . 1 1 184 184 ASP HB2 H 1 2.753 0.010 . 1 . . . . . . . . 6090 1 1434 . 1 1 184 184 ASP HB3 H 1 2.433 0.010 . 1 . . . . . . . . 6090 1 1435 . 1 1 184 184 ASP C C 13 178.496 0.100 . 1 . . . . . . . . 6090 1 1436 . 1 1 184 184 ASP CA C 13 58.989 0.100 . 1 . . . . . . . . 6090 1 1437 . 1 1 184 184 ASP CB C 13 43.181 0.100 . 1 . . . . . . . . 6090 1 1438 . 1 1 184 184 ASP N N 15 121.978 0.100 . 1 . . . . . . . . 6090 1 1439 . 1 1 185 185 ASP H H 1 8.254 0.010 . 1 . . . . . . . . 6090 1 1440 . 1 1 185 185 ASP HA H 1 4.171 0.010 . 1 . . . . . . . . 6090 1 1441 . 1 1 185 185 ASP HB2 H 1 2.406 0.010 . 1 . . . . . . . . 6090 1 1442 . 1 1 185 185 ASP HB3 H 1 1.985 0.010 . 1 . . . . . . . . 6090 1 1443 . 1 1 185 185 ASP C C 13 177.466 0.100 . 1 . . . . . . . . 6090 1 1444 . 1 1 185 185 ASP CA C 13 56.808 0.100 . 1 . . . . . . . . 6090 1 1445 . 1 1 185 185 ASP CB C 13 40.845 0.100 . 1 . . . . . . . . 6090 1 1446 . 1 1 185 185 ASP N N 15 112.771 0.100 . 1 . . . . . . . . 6090 1 1447 . 1 1 186 186 HIS H H 1 7.729 0.010 . 1 . . . . . . . . 6090 1 1448 . 1 1 186 186 HIS HA H 1 4.632 0.010 . 1 . . . . . . . . 6090 1 1449 . 1 1 186 186 HIS C C 13 176.836 0.100 . 1 . . . . . . . . 6090 1 1450 . 1 1 186 186 HIS CA C 13 58.677 0.100 . 1 . . . . . . . . 6090 1 1451 . 1 1 186 186 HIS CB C 13 33.836 0.100 . 1 . . . . . . . . 6090 1 1452 . 1 1 186 186 HIS N N 15 113.202 0.100 . 1 . . . . . . . . 6090 1 1453 . 1 1 187 187 GLN H H 1 7.488 0.010 . 1 . . . . . . . . 6090 1 1454 . 1 1 187 187 GLN HA H 1 4.349 0.010 . 1 . . . . . . . . 6090 1 1455 . 1 1 187 187 GLN C C 13 176.979 0.100 . 1 . . . . . . . . 6090 1 1456 . 1 1 187 187 GLN CA C 13 55.718 0.100 . 1 . . . . . . . . 6090 1 1457 . 1 1 187 187 GLN CB C 13 41.935 0.100 . 1 . . . . . . . . 6090 1 1458 . 1 1 187 187 GLN N N 15 119.789 0.100 . 1 . . . . . . . . 6090 1 1459 . 1 1 188 188 GLN H H 1 10.640 0.010 . 1 . . . . . . . . 6090 1 1460 . 1 1 188 188 GLN HA H 1 4.110 0.010 . 1 . . . . . . . . 6090 1 1461 . 1 1 188 188 GLN C C 13 177.494 0.100 . 1 . . . . . . . . 6090 1 1462 . 1 1 188 188 GLN CA C 13 58.489 0.100 . 1 . . . . . . . . 6090 1 1463 . 1 1 188 188 GLN CB C 13 26.407 0.100 . 1 . . . . . . . . 6090 1 1464 . 1 1 188 188 GLN N N 15 123.628 0.100 . 1 . . . . . . . . 6090 1 1465 . 1 1 189 189 TYR H H 1 7.614 0.010 . 1 . . . . . . . . 6090 1 1466 . 1 1 189 189 TYR HA H 1 4.111 0.010 . 1 . . . . . . . . 6090 1 1467 . 1 1 189 189 TYR C C 13 178.725 0.100 . 1 . . . . . . . . 6090 1 1468 . 1 1 189 189 TYR CA C 13 63.994 0.100 . 1 . . . . . . . . 6090 1 1469 . 1 1 189 189 TYR N N 15 119.610 0.100 . 1 . . . . . . . . 6090 1 1470 . 1 1 190 190 LEU H H 1 10.262 0.010 . 1 . . . . . . . . 6090 1 1471 . 1 1 190 190 LEU HA H 1 4.156 0.010 . 1 . . . . . . . . 6090 1 1472 . 1 1 190 190 LEU C C 13 178.696 0.100 . 1 . . . . . . . . 6090 1 1473 . 1 1 190 190 LEU CA C 13 56.481 0.100 . 1 . . . . . . . . 6090 1 1474 . 1 1 190 190 LEU CB C 13 42.552 0.100 . 1 . . . . . . . . 6090 1 1475 . 1 1 190 190 LEU N N 15 115.809 0.100 . 1 . . . . . . . . 6090 1 1476 . 1 1 191 191 HIS H H 1 7.695 0.010 . 1 . . . . . . . . 6090 1 1477 . 1 1 191 191 HIS HA H 1 4.424 0.010 . 1 . . . . . . . . 6090 1 1478 . 1 1 191 191 HIS HB2 H 1 2.763 0.010 . 1 . . . . . . . . 6090 1 1479 . 1 1 191 191 HIS HB3 H 1 2.543 0.010 . 1 . . . . . . . . 6090 1 1480 . 1 1 191 191 HIS C C 13 176.756 0.100 . 1 . . . . . . . . 6090 1 1481 . 1 1 191 191 HIS CA C 13 59.447 0.100 . 1 . . . . . . . . 6090 1 1482 . 1 1 191 191 HIS CB C 13 32.990 0.100 . 1 . . . . . . . . 6090 1 1483 . 1 1 191 191 HIS N N 15 118.943 0.100 . 1 . . . . . . . . 6090 1 1484 . 1 1 192 192 LYS H H 1 6.888 0.010 . 1 . . . . . . . . 6090 1 1485 . 1 1 192 192 LYS HA H 1 3.620 0.010 . 1 . . . . . . . . 6090 1 1486 . 1 1 192 192 LYS C C 13 177.013 0.100 . 1 . . . . . . . . 6090 1 1487 . 1 1 192 192 LYS CA C 13 58.679 0.100 . 1 . . . . . . . . 6090 1 1488 . 1 1 192 192 LYS CB C 13 34.140 0.100 . 1 . . . . . . . . 6090 1 1489 . 1 1 192 192 LYS N N 15 117.962 0.100 . 1 . . . . . . . . 6090 1 1490 . 1 1 193 193 ASN H H 1 7.909 0.010 . 1 . . . . . . . . 6090 1 1491 . 1 1 193 193 ASN HA H 1 4.706 0.010 . 1 . . . . . . . . 6090 1 1492 . 1 1 193 193 ASN C C 13 172.417 0.100 . 1 . . . . . . . . 6090 1 1493 . 1 1 193 193 ASN CA C 13 50.704 0.100 . 1 . . . . . . . . 6090 1 1494 . 1 1 193 193 ASN CB C 13 38.740 0.100 . 1 . . . . . . . . 6090 1 1495 . 1 1 193 193 ASN N N 15 114.568 0.100 . 1 . . . . . . . . 6090 1 1496 . 1 1 194 194 PRO HA H 1 4.459 0.010 . 1 . . . . . . . . 6090 1 1497 . 1 1 194 194 PRO HB2 H 1 1.380 0.010 . 1 . . . . . . . . 6090 1 1498 . 1 1 194 194 PRO HB3 H 1 1.990 0.010 . 1 . . . . . . . . 6090 1 1499 . 1 1 194 194 PRO HG2 H 1 1.654 0.010 . 1 . . . . . . . . 6090 1 1500 . 1 1 194 194 PRO HG3 H 1 1.347 0.010 . 1 . . . . . . . . 6090 1 1501 . 1 1 194 194 PRO HD2 H 1 3.299 0.010 . 1 . . . . . . . . 6090 1 1502 . 1 1 194 194 PRO HD3 H 1 3.018 0.010 . 1 . . . . . . . . 6090 1 1503 . 1 1 194 194 PRO C C 13 178.009 0.100 . 1 . . . . . . . . 6090 1 1504 . 1 1 194 194 PRO CA C 13 64.608 0.100 . 1 . . . . . . . . 6090 1 1505 . 1 1 194 194 PRO CB C 13 31.833 0.100 . 1 . . . . . . . . 6090 1 1506 . 1 1 194 194 PRO CG C 13 27.600 0.100 . 1 . . . . . . . . 6090 1 1507 . 1 1 194 194 PRO CD C 13 50.399 0.100 . 1 . . . . . . . . 6090 1 1508 . 1 1 195 195 TYR H H 1 7.816 0.010 . 1 . . . . . . . . 6090 1 1509 . 1 1 195 195 TYR HA H 1 4.617 0.010 . 1 . . . . . . . . 6090 1 1510 . 1 1 195 195 TYR HB2 H 1 3.252 0.010 . 1 . . . . . . . . 6090 1 1511 . 1 1 195 195 TYR HB3 H 1 2.711 0.010 . 1 . . . . . . . . 6090 1 1512 . 1 1 195 195 TYR C C 13 177.180 0.100 . 1 . . . . . . . . 6090 1 1513 . 1 1 195 195 TYR CA C 13 57.072 0.100 . 1 . . . . . . . . 6090 1 1514 . 1 1 195 195 TYR CB C 13 37.591 0.100 . 1 . . . . . . . . 6090 1 1515 . 1 1 195 195 TYR N N 15 117.553 0.100 . 1 . . . . . . . . 6090 1 1516 . 1 1 196 196 GLY H H 1 7.854 0.010 . 1 . . . . . . . . 6090 1 1517 . 1 1 196 196 GLY HA2 H 1 4.096 0.010 . 1 . . . . . . . . 6090 1 1518 . 1 1 196 196 GLY HA3 H 1 3.516 0.010 . 1 . . . . . . . . 6090 1 1519 . 1 1 196 196 GLY C C 13 172.774 0.100 . 1 . . . . . . . . 6090 1 1520 . 1 1 196 196 GLY CA C 13 45.564 0.100 . 1 . . . . . . . . 6090 1 1521 . 1 1 196 196 GLY N N 15 108.203 0.100 . 1 . . . . . . . . 6090 1 1522 . 1 1 197 197 TYR H H 1 8.227 0.010 . 1 . . . . . . . . 6090 1 1523 . 1 1 197 197 TYR HA H 1 4.483 0.010 . 1 . . . . . . . . 6090 1 1524 . 1 1 197 197 TYR C C 13 174.805 0.100 . 1 . . . . . . . . 6090 1 1525 . 1 1 197 197 TYR CA C 13 59.208 0.100 . 1 . . . . . . . . 6090 1 1526 . 1 1 197 197 TYR CB C 13 39.812 0.100 . 1 . . . . . . . . 6090 1 1527 . 1 1 197 197 TYR N N 15 120.769 0.100 . 1 . . . . . . . . 6090 1 1528 . 1 1 198 198 CYS H H 1 8.057 0.010 . 1 . . . . . . . . 6090 1 1529 . 1 1 198 198 CYS HA H 1 4.424 0.010 . 1 . . . . . . . . 6090 1 1530 . 1 1 198 198 CYS HB2 H 1 2.803 0.010 . 1 . . . . . . . . 6090 1 1531 . 1 1 198 198 CYS HB3 H 1 2.717 0.010 . 1 . . . . . . . . 6090 1 1532 . 1 1 198 198 CYS C C 13 174.434 0.100 . 1 . . . . . . . . 6090 1 1533 . 1 1 198 198 CYS CA C 13 58.588 0.100 . 1 . . . . . . . . 6090 1 1534 . 1 1 198 198 CYS CB C 13 28.392 0.100 . 1 . . . . . . . . 6090 1 1535 . 1 1 198 198 CYS N N 15 125.941 0.100 . 1 . . . . . . . . 6090 1 1536 . 1 1 199 199 GLY H H 1 7.800 0.010 . 1 . . . . . . . . 6090 1 1537 . 1 1 199 199 GLY HA2 H 1 4.156 0.010 . 1 . . . . . . . . 6090 1 1538 . 1 1 199 199 GLY HA3 H 1 4.156 0.010 . 1 . . . . . . . . 6090 1 1539 . 1 1 199 199 GLY C C 13 174.577 0.100 . 1 . . . . . . . . 6090 1 1540 . 1 1 199 199 GLY CA C 13 46.287 0.100 . 1 . . . . . . . . 6090 1 1541 . 1 1 199 199 GLY N N 15 112.582 0.100 . 1 . . . . . . . . 6090 1 1542 . 1 1 200 200 ILE H H 1 7.317 0.010 . 1 . . . . . . . . 6090 1 1543 . 1 1 200 200 ILE HA H 1 4.394 0.010 . 1 . . . . . . . . 6090 1 1544 . 1 1 200 200 ILE HB H 1 1.902 0.010 . 1 . . . . . . . . 6090 1 1545 . 1 1 200 200 ILE HG12 H 1 1.320 0.010 . 1 . . . . . . . . 6090 1 1546 . 1 1 200 200 ILE HG13 H 1 1.077 0.010 . 1 . . . . . . . . 6090 1 1547 . 1 1 200 200 ILE HG21 H 1 0.871 0.010 . 1 . . . . . . . . 6090 1 1548 . 1 1 200 200 ILE HG22 H 1 0.871 0.010 . 1 . . . . . . . . 6090 1 1549 . 1 1 200 200 ILE HG23 H 1 0.871 0.010 . 1 . . . . . . . . 6090 1 1550 . 1 1 200 200 ILE HD11 H 1 0.718 0.010 . 1 . . . . . . . . 6090 1 1551 . 1 1 200 200 ILE HD12 H 1 0.718 0.010 . 1 . . . . . . . . 6090 1 1552 . 1 1 200 200 ILE HD13 H 1 0.718 0.010 . 1 . . . . . . . . 6090 1 1553 . 1 1 200 200 ILE C C 13 176.350 0.100 . 1 . . . . . . . . 6090 1 1554 . 1 1 200 200 ILE CA C 13 60.844 0.100 . 1 . . . . . . . . 6090 1 1555 . 1 1 200 200 ILE CB C 13 39.475 0.100 . 1 . . . . . . . . 6090 1 1556 . 1 1 200 200 ILE CG1 C 13 27.616 0.100 . 1 . . . . . . . . 6090 1 1557 . 1 1 200 200 ILE CG2 C 13 18.612 0.100 . 1 . . . . . . . . 6090 1 1558 . 1 1 200 200 ILE CD1 C 13 14.081 0.100 . 1 . . . . . . . . 6090 1 1559 . 1 1 200 200 ILE N N 15 117.828 0.100 . 1 . . . . . . . . 6090 1 1560 . 1 1 201 201 GLY H H 1 7.675 0.010 . 1 . . . . . . . . 6090 1 1561 . 1 1 201 201 GLY HA2 H 1 4.082 0.010 . 1 . . . . . . . . 6090 1 1562 . 1 1 201 201 GLY HA3 H 1 4.082 0.010 . 1 . . . . . . . . 6090 1 1563 . 1 1 201 201 GLY C C 13 174.090 0.100 . 1 . . . . . . . . 6090 1 1564 . 1 1 201 201 GLY CA C 13 45.892 0.100 . 1 . . . . . . . . 6090 1 1565 . 1 1 201 201 GLY N N 15 112.386 0.100 . 1 . . . . . . . . 6090 1 1566 . 1 1 202 202 GLY H H 1 8.371 0.010 . 1 . . . . . . . . 6090 1 1567 . 1 1 202 202 GLY HA2 H 1 3.858 0.010 . 1 . . . . . . . . 6090 1 1568 . 1 1 202 202 GLY HA3 H 1 3.858 0.010 . 1 . . . . . . . . 6090 1 1569 . 1 1 202 202 GLY C C 13 175.521 0.100 . 1 . . . . . . . . 6090 1 1570 . 1 1 202 202 GLY CA C 13 44.500 0.100 . 1 . . . . . . . . 6090 1 1571 . 1 1 202 202 GLY N N 15 109.310 0.100 . 1 . . . . . . . . 6090 1 1572 . 1 1 203 203 ILE HA H 1 4.450 0.010 . 1 . . . . . . . . 6090 1 1573 . 1 1 203 203 ILE HB H 1 2.224 0.010 . 1 . . . . . . . . 6090 1 1574 . 1 1 203 203 ILE HG21 H 1 0.825 0.010 . 1 . . . . . . . . 6090 1 1575 . 1 1 203 203 ILE HG22 H 1 0.825 0.010 . 1 . . . . . . . . 6090 1 1576 . 1 1 203 203 ILE HG23 H 1 0.825 0.010 . 1 . . . . . . . . 6090 1 1577 . 1 1 203 203 ILE HD11 H 1 0.913 0.010 . 1 . . . . . . . . 6090 1 1578 . 1 1 203 203 ILE HD12 H 1 0.913 0.010 . 1 . . . . . . . . 6090 1 1579 . 1 1 203 203 ILE HD13 H 1 0.913 0.010 . 1 . . . . . . . . 6090 1 1580 . 1 1 203 203 ILE C C 13 177.266 0.100 . 1 . . . . . . . . 6090 1 1581 . 1 1 203 203 ILE CA C 13 61.683 0.100 . 1 . . . . . . . . 6090 1 1582 . 1 1 203 203 ILE CB C 13 38.419 0.100 . 1 . . . . . . . . 6090 1 1583 . 1 1 203 203 ILE CG2 C 13 18.128 0.100 . 1 . . . . . . . . 6090 1 1584 . 1 1 203 203 ILE CD1 C 13 14.451 0.100 . 1 . . . . . . . . 6090 1 1585 . 1 1 204 204 GLY H H 1 8.478 0.010 . 1 . . . . . . . . 6090 1 1586 . 1 1 204 204 GLY HA2 H 1 4.111 0.010 . 1 . . . . . . . . 6090 1 1587 . 1 1 204 204 GLY HA3 H 1 3.561 0.010 . 1 . . . . . . . . 6090 1 1588 . 1 1 204 204 GLY C C 13 174.233 0.100 . 1 . . . . . . . . 6090 1 1589 . 1 1 204 204 GLY CA C 13 46.430 0.100 . 1 . . . . . . . . 6090 1 1590 . 1 1 204 204 GLY N N 15 111.838 0.100 . 1 . . . . . . . . 6090 1 1591 . 1 1 205 205 VAL H H 1 7.132 0.010 . 1 . . . . . . . . 6090 1 1592 . 1 1 205 205 VAL HA H 1 4.067 0.010 . 1 . . . . . . . . 6090 1 1593 . 1 1 205 205 VAL HB H 1 1.630 0.010 . 1 . . . . . . . . 6090 1 1594 . 1 1 205 205 VAL HG11 H 1 0.678 0.010 . 1 . . . . . . . . 6090 1 1595 . 1 1 205 205 VAL HG12 H 1 0.678 0.010 . 1 . . . . . . . . 6090 1 1596 . 1 1 205 205 VAL HG13 H 1 0.678 0.010 . 1 . . . . . . . . 6090 1 1597 . 1 1 205 205 VAL HG21 H 1 0.356 0.010 . 1 . . . . . . . . 6090 1 1598 . 1 1 205 205 VAL HG22 H 1 0.356 0.010 . 1 . . . . . . . . 6090 1 1599 . 1 1 205 205 VAL HG23 H 1 0.356 0.010 . 1 . . . . . . . . 6090 1 1600 . 1 1 205 205 VAL C C 13 175.757 0.100 . 1 . . . . . . . . 6090 1 1601 . 1 1 205 205 VAL CA C 13 61.955 0.100 . 1 . . . . . . . . 6090 1 1602 . 1 1 205 205 VAL CB C 13 34.284 0.100 . 1 . . . . . . . . 6090 1 1603 . 1 1 205 205 VAL CG1 C 13 21.719 0.100 . 1 . . . . . . . . 6090 1 1604 . 1 1 205 205 VAL CG2 C 13 22.079 0.100 . 1 . . . . . . . . 6090 1 1605 . 1 1 205 205 VAL N N 15 120.236 0.100 . 1 . . . . . . . . 6090 1 1606 . 1 1 206 206 CYS H H 1 8.358 0.010 . 1 . . . . . . . . 6090 1 1607 . 1 1 206 206 CYS HA H 1 4.617 0.010 . 1 . . . . . . . . 6090 1 1608 . 1 1 206 206 CYS C C 13 174.529 0.100 . 1 . . . . . . . . 6090 1 1609 . 1 1 206 206 CYS CA C 13 58.086 0.100 . 1 . . . . . . . . 6090 1 1610 . 1 1 206 206 CYS N N 15 122.389 0.100 . 1 . . . . . . . . 6090 1 1611 . 1 1 209 209 PRO C C 13 177.037 0.100 . 1 . . . . . . . . 6090 1 1612 . 1 1 209 209 PRO CA C 13 62.923 0.100 . 1 . . . . . . . . 6090 1 1613 . 1 1 209 209 PRO CB C 13 32.807 0.100 . 1 . . . . . . . . 6090 1 1614 . 1 1 210 210 GLU H H 1 8.532 0.010 . 1 . . . . . . . . 6090 1 1615 . 1 1 210 210 GLU HA H 1 3.933 0.010 . 1 . . . . . . . . 6090 1 1616 . 1 1 210 210 GLU HB2 H 1 1.883 0.010 . 1 . . . . . . . . 6090 1 1617 . 1 1 210 210 GLU HB3 H 1 1.883 0.010 . 1 . . . . . . . . 6090 1 1618 . 1 1 210 210 GLU HG2 H 1 2.179 0.010 . 1 . . . . . . . . 6090 1 1619 . 1 1 210 210 GLU HG3 H 1 2.179 0.010 . 1 . . . . . . . . 6090 1 1620 . 1 1 210 210 GLU C C 13 175.492 0.100 . 1 . . . . . . . . 6090 1 1621 . 1 1 210 210 GLU CA C 13 57.509 0.100 . 1 . . . . . . . . 6090 1 1622 . 1 1 210 210 GLU CB C 13 30.644 0.100 . 1 . . . . . . . . 6090 1 1623 . 1 1 210 210 GLU CG C 13 36.060 0.100 . 1 . . . . . . . . 6090 1 1624 . 1 1 210 210 GLU N N 15 120.661 0.100 . 1 . . . . . . . . 6090 1 1625 . 1 1 211 211 ALA H H 1 7.815 0.010 . 1 . . . . . . . . 6090 1 1626 . 1 1 211 211 ALA HA H 1 4.022 0.010 . 1 . . . . . . . . 6090 1 1627 . 1 1 211 211 ALA C C 13 182.815 0.100 . 1 . . . . . . . . 6090 1 1628 . 1 1 211 211 ALA CA C 13 54.161 0.100 . 1 . . . . . . . . 6090 1 1629 . 1 1 211 211 ALA CB C 13 20.910 0.100 . 1 . . . . . . . . 6090 1 1630 . 1 1 211 211 ALA N N 15 130.708 0.100 . 1 . . . . . . . . 6090 1 stop_ save_