data_28102 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28102 _Entry.Title ; Resonance assignments of oxidized BpsDsbA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-22 _Entry.Accession_date 2020-03-22 _Entry.Last_release_date 2020-03-23 _Entry.Original_release_date 2020-03-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Biswaranjan Mohanty . . . . 28102 2 Stefan Nebl . . . . 28102 3 Martin Scanlon . J. . . 28102 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Monash University' . 28102 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28102 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 780 28102 '15N chemical shifts' 180 28102 '1H chemical shifts' 991 28102 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 . . 2021-07-16 . original BMRB . 28102 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 28103 'reduced BpsDsbA' 28102 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28102 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32761504 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR fragment screening reveals a novel small molecule binding site near the catalytic surface of the disulfide-dithiol oxidoreductase enzyme DsbA from Burkholderia pseudomallei ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 74 _Citation.Journal_issue 10-11 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1573-5001 _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 595 _Citation.Page_last 611 _Citation.Year 2020 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Stefan Nebl S. . . . 28102 1 2 Wesam Alwan W. S. . . 28102 1 3 Martin Williams M. L. . . 28102 1 4 Gaurav Sharma G. . . . 28102 1 5 Ashley Taylor A. . . . 28102 1 6 Bradley Doak B. C. . . 28102 1 7 Karyn Wilde K. L. . . 28102 1 8 Roisin McMahon R. M. . . 28102 1 9 Maria Halili M. A. . . 28102 1 10 Jennifer Martin J. L. . . 28102 1 11 Ben Capuano B. . . . 28102 1 12 'R Bryn' Fenwick R. B. . . 28102 1 13 Biswaranjan Mohanty B. . . . 28102 1 14 Martin Scanlon M. J. . . 28102 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID BpsDsbA 28102 1 'Burkholderia pseudomallei' 28102 1 'Disulfide oxidoreductase' 28102 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28102 _Assembly.ID 1 _Assembly.Name 'BpsDsbA monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 21996 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'BpsDsbA monomer' 1 $BpsDsbA A . yes native yes yes . . . 28102 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 46 46 SG . 1 . 1 CYS 49 49 SG . . . . . . . . . . . . 28102 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BpsDsbA _Entity.Sf_category entity _Entity.Sf_framecode BpsDsbA _Entity.Entry_ID 28102 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BpsDsbA _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 ; SNAAGFAQASPSAPVAGKDF EVMKSPQPVSAPAGKVEVIE FFWYGCPHCYEFEPTIEAWV KKQGDKIAFKRVPVAFRDDF VPHSKLFYALAALGVSEKVT PAVFNAIHKEKNYLLTPQAQ ADFLATQGVDKKKFLDAYNS FSVQGQVKQSAELLKNYNID GVPTIVVQGKYKTGPAYTNS LEGTAQVLDFLVKQVQDKKL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 200 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Oxidoreductase enzyme' 28102 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 . 28102 1 2 . ASN . 28102 1 3 . ALA . 28102 1 4 . ALA . 28102 1 5 . GLY . 28102 1 6 . PHE . 28102 1 7 . ALA . 28102 1 8 . GLN . 28102 1 9 . ALA . 28102 1 10 . SER . 28102 1 11 . PRO . 28102 1 12 . SER . 28102 1 13 . ALA . 28102 1 14 . PRO . 28102 1 15 . VAL . 28102 1 16 . ALA . 28102 1 17 . GLY . 28102 1 18 . LYS . 28102 1 19 . ASP . 28102 1 20 . PHE . 28102 1 21 . GLU . 28102 1 22 . VAL . 28102 1 23 . MET . 28102 1 24 . LYS . 28102 1 25 . SER . 28102 1 26 . PRO . 28102 1 27 . GLN . 28102 1 28 . PRO . 28102 1 29 . VAL . 28102 1 30 . SER . 28102 1 31 . ALA . 28102 1 32 . PRO . 28102 1 33 . ALA . 28102 1 34 . GLY . 28102 1 35 . LYS . 28102 1 36 . VAL . 28102 1 37 . GLU . 28102 1 38 . VAL . 28102 1 39 . ILE . 28102 1 40 . GLU . 28102 1 41 . PHE . 28102 1 42 . PHE . 28102 1 43 . TRP . 28102 1 44 . TYR . 28102 1 45 . GLY . 28102 1 46 . CYS . 28102 1 47 . PRO . 28102 1 48 . HIS . 28102 1 49 . CYS . 28102 1 50 . TYR . 28102 1 51 . GLU . 28102 1 52 . PHE . 28102 1 53 . GLU . 28102 1 54 . PRO . 28102 1 55 . THR . 28102 1 56 . ILE . 28102 1 57 . GLU . 28102 1 58 . ALA . 28102 1 59 . TRP . 28102 1 60 . VAL . 28102 1 61 . LYS . 28102 1 62 . LYS . 28102 1 63 . GLN . 28102 1 64 . GLY . 28102 1 65 . ASP . 28102 1 66 . LYS . 28102 1 67 . ILE . 28102 1 68 . ALA . 28102 1 69 . PHE . 28102 1 70 . LYS . 28102 1 71 . ARG . 28102 1 72 . VAL . 28102 1 73 . PRO . 28102 1 74 . VAL . 28102 1 75 . ALA . 28102 1 76 . PHE . 28102 1 77 . ARG . 28102 1 78 . ASP . 28102 1 79 . ASP . 28102 1 80 . PHE . 28102 1 81 . VAL . 28102 1 82 . PRO . 28102 1 83 . HIS . 28102 1 84 . SER . 28102 1 85 . LYS . 28102 1 86 . LEU . 28102 1 87 . PHE . 28102 1 88 . TYR . 28102 1 89 . ALA . 28102 1 90 . LEU . 28102 1 91 . ALA . 28102 1 92 . ALA . 28102 1 93 . LEU . 28102 1 94 . GLY . 28102 1 95 . VAL . 28102 1 96 . SER . 28102 1 97 . GLU . 28102 1 98 . LYS . 28102 1 99 . VAL . 28102 1 100 . THR . 28102 1 101 . PRO . 28102 1 102 . ALA . 28102 1 103 . VAL . 28102 1 104 . PHE . 28102 1 105 . ASN . 28102 1 106 . ALA . 28102 1 107 . ILE . 28102 1 108 . HIS . 28102 1 109 . LYS . 28102 1 110 . GLU . 28102 1 111 . LYS . 28102 1 112 . ASN . 28102 1 113 . TYR . 28102 1 114 . LEU . 28102 1 115 . LEU . 28102 1 116 . THR . 28102 1 117 . PRO . 28102 1 118 . GLN . 28102 1 119 . ALA . 28102 1 120 . GLN . 28102 1 121 . ALA . 28102 1 122 . ASP . 28102 1 123 . PHE . 28102 1 124 . LEU . 28102 1 125 . ALA . 28102 1 126 . THR . 28102 1 127 . GLN . 28102 1 128 . GLY . 28102 1 129 . VAL . 28102 1 130 . ASP . 28102 1 131 . LYS . 28102 1 132 . LYS . 28102 1 133 . LYS . 28102 1 134 . PHE . 28102 1 135 . LEU . 28102 1 136 . ASP . 28102 1 137 . ALA . 28102 1 138 . TYR . 28102 1 139 . ASN . 28102 1 140 . SER . 28102 1 141 . PHE . 28102 1 142 . SER . 28102 1 143 . VAL . 28102 1 144 . GLN . 28102 1 145 . GLY . 28102 1 146 . GLN . 28102 1 147 . VAL . 28102 1 148 . LYS . 28102 1 149 . GLN . 28102 1 150 . SER . 28102 1 151 . ALA . 28102 1 152 . GLU . 28102 1 153 . LEU . 28102 1 154 . LEU . 28102 1 155 . LYS . 28102 1 156 . ASN . 28102 1 157 . TYR . 28102 1 158 . ASN . 28102 1 159 . ILE . 28102 1 160 . ASP . 28102 1 161 . GLY . 28102 1 162 . VAL . 28102 1 163 . PRO . 28102 1 164 . THR . 28102 1 165 . ILE . 28102 1 166 . VAL . 28102 1 167 . VAL . 28102 1 168 . GLN . 28102 1 169 . GLY . 28102 1 170 . LYS . 28102 1 171 . TYR . 28102 1 172 . LYS . 28102 1 173 . THR . 28102 1 174 . GLY . 28102 1 175 . PRO . 28102 1 176 . ALA . 28102 1 177 . TYR . 28102 1 178 . THR . 28102 1 179 . ASN . 28102 1 180 . SER . 28102 1 181 . LEU . 28102 1 182 . GLU . 28102 1 183 . GLY . 28102 1 184 . THR . 28102 1 185 . ALA . 28102 1 186 . GLN . 28102 1 187 . VAL . 28102 1 188 . LEU . 28102 1 189 . ASP . 28102 1 190 . PHE . 28102 1 191 . LEU . 28102 1 192 . VAL . 28102 1 193 . LYS . 28102 1 194 . GLN . 28102 1 195 . VAL . 28102 1 196 . GLN . 28102 1 197 . ASP . 28102 1 198 . LYS . 28102 1 199 . LYS . 28102 1 200 . LEU . 28102 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 28102 1 . ASN 2 2 28102 1 . ALA 3 3 28102 1 . ALA 4 4 28102 1 . GLY 5 5 28102 1 . PHE 6 6 28102 1 . ALA 7 7 28102 1 . GLN 8 8 28102 1 . ALA 9 9 28102 1 . SER 10 10 28102 1 . PRO 11 11 28102 1 . SER 12 12 28102 1 . ALA 13 13 28102 1 . PRO 14 14 28102 1 . VAL 15 15 28102 1 . ALA 16 16 28102 1 . GLY 17 17 28102 1 . LYS 18 18 28102 1 . ASP 19 19 28102 1 . PHE 20 20 28102 1 . GLU 21 21 28102 1 . VAL 22 22 28102 1 . MET 23 23 28102 1 . LYS 24 24 28102 1 . SER 25 25 28102 1 . PRO 26 26 28102 1 . GLN 27 27 28102 1 . PRO 28 28 28102 1 . VAL 29 29 28102 1 . SER 30 30 28102 1 . ALA 31 31 28102 1 . PRO 32 32 28102 1 . ALA 33 33 28102 1 . GLY 34 34 28102 1 . LYS 35 35 28102 1 . VAL 36 36 28102 1 . GLU 37 37 28102 1 . VAL 38 38 28102 1 . ILE 39 39 28102 1 . GLU 40 40 28102 1 . PHE 41 41 28102 1 . PHE 42 42 28102 1 . TRP 43 43 28102 1 . TYR 44 44 28102 1 . GLY 45 45 28102 1 . CYS 46 46 28102 1 . PRO 47 47 28102 1 . HIS 48 48 28102 1 . CYS 49 49 28102 1 . TYR 50 50 28102 1 . GLU 51 51 28102 1 . PHE 52 52 28102 1 . GLU 53 53 28102 1 . PRO 54 54 28102 1 . THR 55 55 28102 1 . ILE 56 56 28102 1 . GLU 57 57 28102 1 . ALA 58 58 28102 1 . TRP 59 59 28102 1 . VAL 60 60 28102 1 . LYS 61 61 28102 1 . LYS 62 62 28102 1 . GLN 63 63 28102 1 . GLY 64 64 28102 1 . ASP 65 65 28102 1 . LYS 66 66 28102 1 . ILE 67 67 28102 1 . ALA 68 68 28102 1 . PHE 69 69 28102 1 . LYS 70 70 28102 1 . ARG 71 71 28102 1 . VAL 72 72 28102 1 . PRO 73 73 28102 1 . VAL 74 74 28102 1 . ALA 75 75 28102 1 . PHE 76 76 28102 1 . ARG 77 77 28102 1 . ASP 78 78 28102 1 . ASP 79 79 28102 1 . PHE 80 80 28102 1 . VAL 81 81 28102 1 . PRO 82 82 28102 1 . HIS 83 83 28102 1 . SER 84 84 28102 1 . LYS 85 85 28102 1 . LEU 86 86 28102 1 . PHE 87 87 28102 1 . TYR 88 88 28102 1 . ALA 89 89 28102 1 . LEU 90 90 28102 1 . ALA 91 91 28102 1 . ALA 92 92 28102 1 . LEU 93 93 28102 1 . GLY 94 94 28102 1 . VAL 95 95 28102 1 . SER 96 96 28102 1 . GLU 97 97 28102 1 . LYS 98 98 28102 1 . VAL 99 99 28102 1 . THR 100 100 28102 1 . PRO 101 101 28102 1 . ALA 102 102 28102 1 . VAL 103 103 28102 1 . PHE 104 104 28102 1 . ASN 105 105 28102 1 . ALA 106 106 28102 1 . ILE 107 107 28102 1 . HIS 108 108 28102 1 . LYS 109 109 28102 1 . GLU 110 110 28102 1 . LYS 111 111 28102 1 . ASN 112 112 28102 1 . TYR 113 113 28102 1 . LEU 114 114 28102 1 . LEU 115 115 28102 1 . THR 116 116 28102 1 . PRO 117 117 28102 1 . GLN 118 118 28102 1 . ALA 119 119 28102 1 . GLN 120 120 28102 1 . ALA 121 121 28102 1 . ASP 122 122 28102 1 . PHE 123 123 28102 1 . LEU 124 124 28102 1 . ALA 125 125 28102 1 . THR 126 126 28102 1 . GLN 127 127 28102 1 . GLY 128 128 28102 1 . VAL 129 129 28102 1 . ASP 130 130 28102 1 . LYS 131 131 28102 1 . LYS 132 132 28102 1 . LYS 133 133 28102 1 . PHE 134 134 28102 1 . LEU 135 135 28102 1 . ASP 136 136 28102 1 . ALA 137 137 28102 1 . TYR 138 138 28102 1 . ASN 139 139 28102 1 . SER 140 140 28102 1 . PHE 141 141 28102 1 . SER 142 142 28102 1 . VAL 143 143 28102 1 . GLN 144 144 28102 1 . GLY 145 145 28102 1 . GLN 146 146 28102 1 . VAL 147 147 28102 1 . LYS 148 148 28102 1 . GLN 149 149 28102 1 . SER 150 150 28102 1 . ALA 151 151 28102 1 . GLU 152 152 28102 1 . LEU 153 153 28102 1 . LEU 154 154 28102 1 . LYS 155 155 28102 1 . ASN 156 156 28102 1 . TYR 157 157 28102 1 . ASN 158 158 28102 1 . ILE 159 159 28102 1 . ASP 160 160 28102 1 . GLY 161 161 28102 1 . VAL 162 162 28102 1 . PRO 163 163 28102 1 . THR 164 164 28102 1 . ILE 165 165 28102 1 . VAL 166 166 28102 1 . VAL 167 167 28102 1 . GLN 168 168 28102 1 . GLY 169 169 28102 1 . LYS 170 170 28102 1 . TYR 171 171 28102 1 . LYS 172 172 28102 1 . THR 173 173 28102 1 . GLY 174 174 28102 1 . PRO 175 175 28102 1 . ALA 176 176 28102 1 . TYR 177 177 28102 1 . THR 178 178 28102 1 . ASN 179 179 28102 1 . SER 180 180 28102 1 . LEU 181 181 28102 1 . GLU 182 182 28102 1 . GLY 183 183 28102 1 . THR 184 184 28102 1 . ALA 185 185 28102 1 . GLN 186 186 28102 1 . VAL 187 187 28102 1 . LEU 188 188 28102 1 . ASP 189 189 28102 1 . PHE 190 190 28102 1 . LEU 191 191 28102 1 . VAL 192 192 28102 1 . LYS 193 193 28102 1 . GLN 194 194 28102 1 . VAL 195 195 28102 1 . GLN 196 196 28102 1 . ASP 197 197 28102 1 . LYS 198 198 28102 1 . LYS 199 199 28102 1 . LEU 200 200 28102 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 28102 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $BpsDsbA . 28450 organism . 'Burkholderia pseudomallei' 'Burkholderia pseudomallei' . . Bacteria . Burkholderia pseudomallei . . . . . . . . . . . . . 28102 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 28102 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $BpsDsbA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET21a . . . 28102 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28102 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM HEPES (pH 6.8), 50 mM NaCl, 0.02 % NaN3, 2 mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BpsDsbA '[U-13C; U-15N]' . . 1 $BpsDsbA . . 0.6 . . mM . . . . 28102 1 2 BpsDsbA 'Fractional deuterated [U-13C; U-15N]' . . 1 $BpsDsbA . . 1 . . mM . . . . 28102 1 3 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 28102 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 28102 1 5 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . 28102 1 6 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 28102 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 28102 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details '50 mM HEPES (pH 6.8), 50 mM NaCl, 0.02 % NaN3, 2 mM EDTA' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 28102 1 pH 6.8 . pH 28102 1 pressure 1 . atm 28102 1 temperature 298 . K 28102 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28102 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version '3.2 (pl7)' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 28102 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 28102 1 'data analysis' . 28102 1 processing . 28102 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 28102 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 28102 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28102 2 'data analysis' . 28102 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28102 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28102 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 28102 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 28102 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28102 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28102 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28102 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28102 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28102 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28102 1 7 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28102 1 8 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28102 1 9 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28102 1 10 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28102 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28102 1 12 '3D CHD2-C-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28102 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 28102 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 28102 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28102 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28102 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28102 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28102 1 2 '2D 1H-13C HSQC' . . . 28102 1 3 '3D CBCA(CO)NH' . . . 28102 1 4 '3D HNCA' . . . 28102 1 5 '3D HNCACB' . . . 28102 1 6 '3D HBHA(CO)NH' . . . 28102 1 7 '3D HNCO' . . . 28102 1 8 '3D HNCACO' . . . 28102 1 9 '3D H(CCO)NH' . . . 28102 1 10 '3D C(CO)NH' . . . 28102 1 11 '3D 1H-13C NOESY aliphatic' . . . 28102 1 12 '3D CHD2-C-TOCSY' . . . 28102 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 ASN HB2 H 1 2.702 0.02 . 2 . . . . . 2 ASN QB . 28102 1 2 . 1 . 1 2 2 ASN HB3 H 1 2.702 0.02 . 2 . . . . . 2 ASN QB . 28102 1 3 . 1 . 1 2 2 ASN C C 13 174.83 0.3 . 1 . . . . . 2 ASN C . 28102 1 4 . 1 . 1 2 2 ASN CA C 13 53.144 0.3 . 1 . . . . . 2 ASN CA . 28102 1 5 . 1 . 1 2 2 ASN CB C 13 39.17 0.3 . 1 . . . . . 2 ASN CB . 28102 1 6 . 1 . 1 3 3 ALA H H 1 8.326 0.02 . 1 . . . . . 3 ALA H . 28102 1 7 . 1 . 1 3 3 ALA HA H 1 4.182 0.02 . 1 . . . . . 3 ALA HA . 28102 1 8 . 1 . 1 3 3 ALA HB1 H 1 1.288 0.02 . 1 . . . . . 3 ALA HB# . 28102 1 9 . 1 . 1 3 3 ALA HB2 H 1 1.288 0.02 . 1 . . . . . 3 ALA HB# . 28102 1 10 . 1 . 1 3 3 ALA HB3 H 1 1.288 0.02 . 1 . . . . . 3 ALA HB# . 28102 1 11 . 1 . 1 3 3 ALA C C 13 177.282 0.3 . 1 . . . . . 3 ALA C . 28102 1 12 . 1 . 1 3 3 ALA CA C 13 53.003 0.3 . 1 . . . . . 3 ALA CA . 28102 1 13 . 1 . 1 3 3 ALA CB C 13 19.162 0.3 . 1 . . . . . 3 ALA CB . 28102 1 14 . 1 . 1 3 3 ALA N N 15 125.022 0.2 . 1 . . . . . 3 ALA N . 28102 1 15 . 1 . 1 4 4 ALA H H 1 8.174 0.02 . 1 . . . . . 4 ALA H . 28102 1 16 . 1 . 1 4 4 ALA HA H 1 4.192 0.02 . 1 . . . . . 4 ALA HA . 28102 1 17 . 1 . 1 4 4 ALA HB1 H 1 1.29 0.02 . 1 . . . . . 4 ALA HB# . 28102 1 18 . 1 . 1 4 4 ALA HB2 H 1 1.29 0.02 . 1 . . . . . 4 ALA HB# . 28102 1 19 . 1 . 1 4 4 ALA HB3 H 1 1.29 0.02 . 1 . . . . . 4 ALA HB# . 28102 1 20 . 1 . 1 4 4 ALA C C 13 178.073 0.3 . 1 . . . . . 4 ALA C . 28102 1 21 . 1 . 1 4 4 ALA CA C 13 53.003 0.3 . 1 . . . . . 4 ALA CA . 28102 1 22 . 1 . 1 4 4 ALA CB C 13 19.312 0.3 . 1 . . . . . 4 ALA CB . 28102 1 23 . 1 . 1 4 4 ALA N N 15 122.963 0.2 . 1 . . . . . 4 ALA N . 28102 1 24 . 1 . 1 5 5 GLY H H 1 8.121 0.02 . 1 . . . . . 5 GLY H . 28102 1 25 . 1 . 1 5 5 GLY HA2 H 1 3.769 0.02 . 2 . . . . . 5 GLY QA . 28102 1 26 . 1 . 1 5 5 GLY HA3 H 1 3.769 0.02 . 2 . . . . . 5 GLY QA . 28102 1 27 . 1 . 1 5 5 GLY C C 13 173.755 0.3 . 1 . . . . . 5 GLY C . 28102 1 28 . 1 . 1 5 5 GLY CA C 13 45.492 0.3 . 1 . . . . . 5 GLY CA . 28102 1 29 . 1 . 1 5 5 GLY N N 15 107.67 0.2 . 1 . . . . . 5 GLY N . 28102 1 30 . 1 . 1 6 6 PHE H H 1 7.918 0.02 . 1 . . . . . 6 PHE H . 28102 1 31 . 1 . 1 6 6 PHE HA H 1 4.495 0.02 . 1 . . . . . 6 PHE HA . 28102 1 32 . 1 . 1 6 6 PHE HB3 H 1 2.984 0.02 . 2 . . . . . 6 PHE HB3 . 28102 1 33 . 1 . 1 6 6 PHE C C 13 175.4 0.3 . 1 . . . . . 6 PHE C . 28102 1 34 . 1 . 1 6 6 PHE CA C 13 58.035 0.3 . 1 . . . . . 6 PHE CA . 28102 1 35 . 1 . 1 6 6 PHE CB C 13 39.692 0.3 . 1 . . . . . 6 PHE CB . 28102 1 36 . 1 . 1 6 6 PHE N N 15 119.982 0.2 . 1 . . . . . 6 PHE N . 28102 1 37 . 1 . 1 7 7 ALA H H 1 8.145 0.02 . 1 . . . . . 7 ALA H . 28102 1 38 . 1 . 1 7 7 ALA HA H 1 4.192 0.02 . 1 . . . . . 7 ALA HA . 28102 1 39 . 1 . 1 7 7 ALA HB1 H 1 1.25 0.02 . 1 . . . . . 7 ALA HB# . 28102 1 40 . 1 . 1 7 7 ALA HB2 H 1 1.25 0.02 . 1 . . . . . 7 ALA HB# . 28102 1 41 . 1 . 1 7 7 ALA HB3 H 1 1.25 0.02 . 1 . . . . . 7 ALA HB# . 28102 1 42 . 1 . 1 7 7 ALA C C 13 177.081 0.3 . 1 . . . . . 7 ALA C . 28102 1 43 . 1 . 1 7 7 ALA CA C 13 52.741 0.3 . 1 . . . . . 7 ALA CA . 28102 1 44 . 1 . 1 7 7 ALA CB C 13 19.432 0.3 . 1 . . . . . 7 ALA CB . 28102 1 45 . 1 . 1 7 7 ALA N N 15 125.537 0.2 . 1 . . . . . 7 ALA N . 28102 1 46 . 1 . 1 8 8 GLN H H 1 8.113 0.02 . 1 . . . . . 8 GLN H . 28102 1 47 . 1 . 1 8 8 GLN HA H 1 4.192 0.02 . 1 . . . . . 8 GLN HA . 28102 1 48 . 1 . 1 8 8 GLN HB2 H 1 1.916 0.02 . 2 . . . . . 8 GLN QB . 28102 1 49 . 1 . 1 8 8 GLN HB3 H 1 1.916 0.02 . 2 . . . . . 8 GLN QB . 28102 1 50 . 1 . 1 8 8 GLN HG2 H 1 2.269 0.02 . 2 . . . . . 8 GLN QG . 28102 1 51 . 1 . 1 8 8 GLN HG3 H 1 2.269 0.02 . 2 . . . . . 8 GLN QG . 28102 1 52 . 1 . 1 8 8 GLN C C 13 175.399 0.3 . 1 . . . . . 8 GLN C . 28102 1 53 . 1 . 1 8 8 GLN CA C 13 55.932 0.3 . 1 . . . . . 8 GLN CA . 28102 1 54 . 1 . 1 8 8 GLN CB C 13 29.567 0.3 . 1 . . . . . 8 GLN CB . 28102 1 55 . 1 . 1 8 8 GLN CG C 13 33.654 0.3 . 1 . . . . . 8 GLN CG . 28102 1 56 . 1 . 1 8 8 GLN N N 15 119.652 0.2 . 1 . . . . . 8 GLN N . 28102 1 57 . 1 . 1 9 9 ALA H H 1 8.255 0.02 . 1 . . . . . 9 ALA H . 28102 1 58 . 1 . 1 9 9 ALA HA H 1 4.233 0.02 . 1 . . . . . 9 ALA HA . 28102 1 59 . 1 . 1 9 9 ALA HB1 H 1 1.294 0.02 . 1 . . . . . 9 ALA HB# . 28102 1 60 . 1 . 1 9 9 ALA HB2 H 1 1.294 0.02 . 1 . . . . . 9 ALA HB# . 28102 1 61 . 1 . 1 9 9 ALA HB3 H 1 1.294 0.02 . 1 . . . . . 9 ALA HB# . 28102 1 62 . 1 . 1 9 9 ALA C C 13 177.318 0.3 . 1 . . . . . 9 ALA C . 28102 1 63 . 1 . 1 9 9 ALA CA C 13 52.747 0.3 . 1 . . . . . 9 ALA CA . 28102 1 64 . 1 . 1 9 9 ALA CB C 13 19.436 0.3 . 1 . . . . . 9 ALA CB . 28102 1 65 . 1 . 1 9 9 ALA N N 15 125.548 0.2 . 1 . . . . . 9 ALA N . 28102 1 66 . 1 . 1 10 10 SER H H 1 8.276 0.02 . 1 . . . . . 10 SER H . 28102 1 67 . 1 . 1 10 10 SER C C 13 172.584 0.3 . 1 . . . . . 10 SER C . 28102 1 68 . 1 . 1 10 10 SER CA C 13 56.74 0.3 . 1 . . . . . 10 SER CA . 28102 1 69 . 1 . 1 10 10 SER CB C 13 63.447 0.3 . 1 . . . . . 10 SER CB . 28102 1 70 . 1 . 1 10 10 SER N N 15 116.713 0.2 . 1 . . . . . 10 SER N . 28102 1 71 . 1 . 1 11 11 PRO HA H 1 4.346 0.02 . 1 . . . . . 11 PRO HA . 28102 1 72 . 1 . 1 11 11 PRO HB2 H 1 2.198 0.02 . 2 . . . . . 11 PRO HB2 . 28102 1 73 . 1 . 1 11 11 PRO HG2 H 1 1.876 0.02 . 2 . . . . . 11 PRO HG2 . 28102 1 74 . 1 . 1 11 11 PRO HD2 H 1 3.623 0.02 . 2 . . . . . 11 PRO HD2 . 28102 1 75 . 1 . 1 11 11 PRO HD3 H 1 3.71 0.02 . 2 . . . . . 11 PRO HD3 . 28102 1 76 . 1 . 1 11 11 PRO C C 13 176.691 0.3 . 1 . . . . . 11 PRO C . 28102 1 77 . 1 . 1 11 11 PRO CA C 13 63.569 0.3 . 1 . . . . . 11 PRO CA . 28102 1 78 . 1 . 1 11 11 PRO CB C 13 32.005 0.3 . 1 . . . . . 11 PRO CB . 28102 1 79 . 1 . 1 11 11 PRO CG C 13 27.059 0.3 . 1 . . . . . 11 PRO CG . 28102 1 80 . 1 . 1 11 11 PRO CD C 13 50.478 0.3 . 1 . . . . . 11 PRO CD . 28102 1 81 . 1 . 1 12 12 SER H H 1 8.22 0.02 . 1 . . . . . 12 SER H . 28102 1 82 . 1 . 1 12 12 SER HA H 1 4.286 0.02 . 1 . . . . . 12 SER HA . 28102 1 83 . 1 . 1 12 12 SER HB3 H 1 3.692 0.02 . 2 . . . . . 12 SER HB3 . 28102 1 84 . 1 . 1 12 12 SER C C 13 173.381 0.3 . 1 . . . . . 12 SER C . 28102 1 85 . 1 . 1 12 12 SER CA C 13 58.531 0.3 . 1 . . . . . 12 SER CA . 28102 1 86 . 1 . 1 12 12 SER CB C 13 63.945 0.3 . 1 . . . . . 12 SER CB . 28102 1 87 . 1 . 1 12 12 SER N N 15 116.286 0.2 . 1 . . . . . 12 SER N . 28102 1 88 . 1 . 1 13 13 ALA H H 1 7.98 0.02 . 1 . . . . . 13 ALA H . 28102 1 89 . 1 . 1 13 13 ALA HB1 H 1 1.082 0.02 . 1 . . . . . 13 ALA HB# . 28102 1 90 . 1 . 1 13 13 ALA HB2 H 1 1.082 0.02 . 1 . . . . . 13 ALA HB# . 28102 1 91 . 1 . 1 13 13 ALA HB3 H 1 1.082 0.02 . 1 . . . . . 13 ALA HB# . 28102 1 92 . 1 . 1 13 13 ALA C C 13 174.541 0.3 . 1 . . . . . 13 ALA C . 28102 1 93 . 1 . 1 13 13 ALA CA C 13 50.713 0.3 . 1 . . . . . 13 ALA CA . 28102 1 94 . 1 . 1 13 13 ALA CB C 13 18.319 0.3 . 1 . . . . . 13 ALA CB . 28102 1 95 . 1 . 1 13 13 ALA N N 15 126.384 0.2 . 1 . . . . . 13 ALA N . 28102 1 96 . 1 . 1 14 14 PRO HA H 1 4.202 0.02 . 1 . . . . . 14 PRO HA . 28102 1 97 . 1 . 1 14 14 PRO HB2 H 1 1.993 0.02 . 2 . . . . . 14 PRO HB2 . 28102 1 98 . 1 . 1 14 14 PRO HB3 H 1 1.385 0.02 . 2 . . . . . 14 PRO HB3 . 28102 1 99 . 1 . 1 14 14 PRO HG2 H 1 1.52 0.02 . 2 . . . . . 14 PRO HG2 . 28102 1 100 . 1 . 1 14 14 PRO HG3 H 1 1.225 0.02 . 2 . . . . . 14 PRO HG3 . 28102 1 101 . 1 . 1 14 14 PRO HD3 H 1 3.234 0.02 . 2 . . . . . 14 PRO HD3 . 28102 1 102 . 1 . 1 14 14 PRO C C 13 174.64 0.3 . 1 . . . . . 14 PRO C . 28102 1 103 . 1 . 1 14 14 PRO CA C 13 62.852 0.3 . 1 . . . . . 14 PRO CA . 28102 1 104 . 1 . 1 14 14 PRO CB C 13 31.955 0.3 . 1 . . . . . 14 PRO CB . 28102 1 105 . 1 . 1 14 14 PRO CG C 13 27.786 0.3 . 1 . . . . . 14 PRO CG . 28102 1 106 . 1 . 1 14 14 PRO CD C 13 49.082 0.3 . 1 . . . . . 14 PRO CD . 28102 1 107 . 1 . 1 15 15 VAL H H 1 9.711 0.02 . 1 . . . . . 15 VAL H . 28102 1 108 . 1 . 1 15 15 VAL HA H 1 3.941 0.02 . 1 . . . . . 15 VAL HA . 28102 1 109 . 1 . 1 15 15 VAL HB H 1 1.8 0.02 . 1 . . . . . 15 VAL HB . 28102 1 110 . 1 . 1 15 15 VAL HG11 H 1 0.893 0.02 . 2 . . . . . 15 VAL QG1 . 28102 1 111 . 1 . 1 15 15 VAL HG12 H 1 0.893 0.02 . 2 . . . . . 15 VAL QG1 . 28102 1 112 . 1 . 1 15 15 VAL HG13 H 1 0.893 0.02 . 2 . . . . . 15 VAL QG1 . 28102 1 113 . 1 . 1 15 15 VAL HG21 H 1 0.797 0.02 . 2 . . . . . 15 VAL QG2 . 28102 1 114 . 1 . 1 15 15 VAL HG22 H 1 0.797 0.02 . 2 . . . . . 15 VAL QG2 . 28102 1 115 . 1 . 1 15 15 VAL HG23 H 1 0.797 0.02 . 2 . . . . . 15 VAL QG2 . 28102 1 116 . 1 . 1 15 15 VAL C C 13 176.242 0.3 . 1 . . . . . 15 VAL C . 28102 1 117 . 1 . 1 15 15 VAL CA C 13 62.033 0.3 . 1 . . . . . 15 VAL CA . 28102 1 118 . 1 . 1 15 15 VAL CB C 13 34.317 0.3 . 1 . . . . . 15 VAL CB . 28102 1 119 . 1 . 1 15 15 VAL CG1 C 13 21.4 0.3 . 2 . . . . . 15 VAL CG1 . 28102 1 120 . 1 . 1 15 15 VAL CG2 C 13 20.933 0.3 . 2 . . . . . 15 VAL CG2 . 28102 1 121 . 1 . 1 15 15 VAL N N 15 122.92 0.2 . 1 . . . . . 15 VAL N . 28102 1 122 . 1 . 1 16 16 ALA H H 1 8.668 0.02 . 1 . . . . . 16 ALA H . 28102 1 123 . 1 . 1 16 16 ALA HA H 1 2.331 0.02 . 1 . . . . . 16 ALA HA . 28102 1 124 . 1 . 1 16 16 ALA HB1 H 1 1.099 0.02 . 1 . . . . . 16 ALA HB# . 28102 1 125 . 1 . 1 16 16 ALA HB2 H 1 1.099 0.02 . 1 . . . . . 16 ALA HB# . 28102 1 126 . 1 . 1 16 16 ALA HB3 H 1 1.099 0.02 . 1 . . . . . 16 ALA HB# . 28102 1 127 . 1 . 1 16 16 ALA C C 13 177.951 0.3 . 1 . . . . . 16 ALA C . 28102 1 128 . 1 . 1 16 16 ALA CA C 13 53.525 0.3 . 1 . . . . . 16 ALA CA . 28102 1 129 . 1 . 1 16 16 ALA CB C 13 18.428 0.3 . 1 . . . . . 16 ALA CB . 28102 1 130 . 1 . 1 16 16 ALA N N 15 133.639 0.2 . 1 . . . . . 16 ALA N . 28102 1 131 . 1 . 1 17 17 GLY H H 1 8.406 0.02 . 1 . . . . . 17 GLY H . 28102 1 132 . 1 . 1 17 17 GLY HA2 H 1 4.233 0.02 . 2 . . . . . 17 GLY HA2 . 28102 1 133 . 1 . 1 17 17 GLY HA3 H 1 3.679 0.02 . 2 . . . . . 17 GLY HA3 . 28102 1 134 . 1 . 1 17 17 GLY C C 13 172.896 0.3 . 1 . . . . . 17 GLY C . 28102 1 135 . 1 . 1 17 17 GLY CA C 13 45.609 0.3 . 1 . . . . . 17 GLY CA . 28102 1 136 . 1 . 1 17 17 GLY N N 15 112.797 0.2 . 1 . . . . . 17 GLY N . 28102 1 137 . 1 . 1 18 18 LYS H H 1 7.604 0.02 . 1 . . . . . 18 LYS H . 28102 1 138 . 1 . 1 18 18 LYS HA H 1 4.474 0.02 . 1 . . . . . 18 LYS HA . 28102 1 139 . 1 . 1 18 18 LYS HB3 H 1 1.554 0.02 . 2 . . . . . 18 LYS HB3 . 28102 1 140 . 1 . 1 18 18 LYS HG2 H 1 1.272 0.02 . 2 . . . . . 18 LYS HG2 . 28102 1 141 . 1 . 1 18 18 LYS C C 13 174.467 0.3 . 1 . . . . . 18 LYS C . 28102 1 142 . 1 . 1 18 18 LYS CA C 13 57.6 0.3 . 1 . . . . . 18 LYS CA . 28102 1 143 . 1 . 1 18 18 LYS CB C 13 34.388 0.3 . 1 . . . . . 18 LYS CB . 28102 1 144 . 1 . 1 18 18 LYS CG C 13 24.384 0.3 . 1 . . . . . 18 LYS CG . 28102 1 145 . 1 . 1 18 18 LYS CD C 13 28.863 0.3 . 1 . . . . . 18 LYS CD . 28102 1 146 . 1 . 1 18 18 LYS N N 15 120.362 0.2 . 1 . . . . . 18 LYS N . 28102 1 147 . 1 . 1 19 19 ASP H H 1 8.291 0.02 . 1 . . . . . 19 ASP H . 28102 1 148 . 1 . 1 19 19 ASP HA H 1 4.332 0.02 . 1 . . . . . 19 ASP HA . 28102 1 149 . 1 . 1 19 19 ASP HB2 H 1 2.288 0.02 . 2 . . . . . 19 ASP HB2 . 28102 1 150 . 1 . 1 19 19 ASP HB3 H 1 2.731 0.02 . 2 . . . . . 19 ASP HB3 . 28102 1 151 . 1 . 1 19 19 ASP C C 13 173.499 0.3 . 1 . . . . . 19 ASP C . 28102 1 152 . 1 . 1 19 19 ASP CA C 13 56.972 0.3 . 1 . . . . . 19 ASP CA . 28102 1 153 . 1 . 1 19 19 ASP CB C 13 43.774 0.3 . 1 . . . . . 19 ASP CB . 28102 1 154 . 1 . 1 19 19 ASP N N 15 115.355 0.2 . 1 . . . . . 19 ASP N . 28102 1 155 . 1 . 1 20 20 PHE H H 1 7.29 0.02 . 1 . . . . . 20 PHE H . 28102 1 156 . 1 . 1 20 20 PHE HA H 1 4.525 0.02 . 1 . . . . . 20 PHE HA . 28102 1 157 . 1 . 1 20 20 PHE HB2 H 1 2.752 0.02 . 2 . . . . . 20 PHE QB . 28102 1 158 . 1 . 1 20 20 PHE HB3 H 1 2.752 0.02 . 2 . . . . . 20 PHE QB . 28102 1 159 . 1 . 1 20 20 PHE C C 13 171.361 0.3 . 1 . . . . . 20 PHE C . 28102 1 160 . 1 . 1 20 20 PHE CA C 13 55.217 0.3 . 1 . . . . . 20 PHE CA . 28102 1 161 . 1 . 1 20 20 PHE CB C 13 40.701 0.3 . 1 . . . . . 20 PHE CB . 28102 1 162 . 1 . 1 20 20 PHE N N 15 109.521 0.2 . 1 . . . . . 20 PHE N . 28102 1 163 . 1 . 1 21 21 GLU H H 1 9.394 0.02 . 1 . . . . . 21 GLU H . 28102 1 164 . 1 . 1 21 21 GLU HA H 1 4.766 0.02 . 1 . . . . . 21 GLU HA . 28102 1 165 . 1 . 1 21 21 GLU HB2 H 1 1.856 0.02 . 2 . . . . . 21 GLU HB2 . 28102 1 166 . 1 . 1 21 21 GLU HG3 H 1 2.219 0.02 . 2 . . . . . 21 GLU HG3 . 28102 1 167 . 1 . 1 21 21 GLU C C 13 175.235 0.3 . 1 . . . . . 21 GLU C . 28102 1 168 . 1 . 1 21 21 GLU CA C 13 54.164 0.3 . 1 . . . . . 21 GLU CA . 28102 1 169 . 1 . 1 21 21 GLU CB C 13 33.908 0.3 . 1 . . . . . 21 GLU CB . 28102 1 170 . 1 . 1 21 21 GLU CG C 13 36.018 0.3 . 1 . . . . . 21 GLU CG . 28102 1 171 . 1 . 1 21 21 GLU N N 15 121.838 0.2 . 1 . . . . . 21 GLU N . 28102 1 172 . 1 . 1 22 22 VAL H H 1 9.304 0.02 . 1 . . . . . 22 VAL H . 28102 1 173 . 1 . 1 22 22 VAL HA H 1 4.381 0.02 . 1 . . . . . 22 VAL HA . 28102 1 174 . 1 . 1 22 22 VAL HB H 1 2.089 0.02 . 1 . . . . . 22 VAL HB . 28102 1 175 . 1 . 1 22 22 VAL HG11 H 1 1.204 0.02 . 2 . . . . . 22 VAL QG1 . 28102 1 176 . 1 . 1 22 22 VAL HG12 H 1 1.204 0.02 . 2 . . . . . 22 VAL QG1 . 28102 1 177 . 1 . 1 22 22 VAL HG13 H 1 1.204 0.02 . 2 . . . . . 22 VAL QG1 . 28102 1 178 . 1 . 1 22 22 VAL HG21 H 1 0.924 0.02 . 2 . . . . . 22 VAL QG2 . 28102 1 179 . 1 . 1 22 22 VAL HG22 H 1 0.924 0.02 . 2 . . . . . 22 VAL QG2 . 28102 1 180 . 1 . 1 22 22 VAL HG23 H 1 0.924 0.02 . 2 . . . . . 22 VAL QG2 . 28102 1 181 . 1 . 1 22 22 VAL C C 13 176.386 0.3 . 1 . . . . . 22 VAL C . 28102 1 182 . 1 . 1 22 22 VAL CA C 13 62.406 0.3 . 1 . . . . . 22 VAL CA . 28102 1 183 . 1 . 1 22 22 VAL CB C 13 31.303 0.3 . 1 . . . . . 22 VAL CB . 28102 1 184 . 1 . 1 22 22 VAL CG1 C 13 21.204 0.3 . 2 . . . . . 22 VAL CG1 . 28102 1 185 . 1 . 1 22 22 VAL CG2 C 13 21.437 0.3 . 2 . . . . . 22 VAL CG2 . 28102 1 186 . 1 . 1 22 22 VAL N N 15 127.429 0.2 . 1 . . . . . 22 VAL N . 28102 1 187 . 1 . 1 23 23 MET H H 1 8.959 0.02 . 1 . . . . . 23 MET H . 28102 1 188 . 1 . 1 23 23 MET HA H 1 3.945 0.02 . 1 . . . . . 23 MET HA . 28102 1 189 . 1 . 1 23 23 MET HG2 H 1 2.088 0.02 . 2 . . . . . 23 MET HG2 . 28102 1 190 . 1 . 1 23 23 MET HG3 H 1 2.496 0.02 . 2 . . . . . 23 MET HG3 . 28102 1 191 . 1 . 1 23 23 MET HE1 H 1 1.913 0.02 . 1 . . . . . 23 MET HE# . 28102 1 192 . 1 . 1 23 23 MET HE2 H 1 1.913 0.02 . 1 . . . . . 23 MET HE# . 28102 1 193 . 1 . 1 23 23 MET HE3 H 1 1.913 0.02 . 1 . . . . . 23 MET HE# . 28102 1 194 . 1 . 1 23 23 MET C C 13 176.094 0.3 . 1 . . . . . 23 MET C . 28102 1 195 . 1 . 1 23 23 MET CA C 13 57.575 0.3 . 1 . . . . . 23 MET CA . 28102 1 196 . 1 . 1 23 23 MET CB C 13 33.365 0.3 . 1 . . . . . 23 MET CB . 28102 1 197 . 1 . 1 23 23 MET CG C 13 31.294 0.3 . 1 . . . . . 23 MET CG . 28102 1 198 . 1 . 1 23 23 MET CE C 13 16.286 0.3 . 1 . . . . . 23 MET CE . 28102 1 199 . 1 . 1 23 23 MET N N 15 128.526 0.2 . 1 . . . . . 23 MET N . 28102 1 200 . 1 . 1 24 24 LYS H H 1 8.442 0.02 . 1 . . . . . 24 LYS H . 28102 1 201 . 1 . 1 24 24 LYS HA H 1 3.989 0.02 . 1 . . . . . 24 LYS HA . 28102 1 202 . 1 . 1 24 24 LYS HB3 H 1 1.762 0.02 . 2 . . . . . 24 LYS HB3 . 28102 1 203 . 1 . 1 24 24 LYS HG2 H 1 1.468 0.02 . 2 . . . . . 24 LYS HG2 . 28102 1 204 . 1 . 1 24 24 LYS HE2 H 1 2.8 0.02 . 1 . . . . . 24 LYS HE2 . 28102 1 205 . 1 . 1 24 24 LYS HE3 H 1 3.22 0.02 . 1 . . . . . 24 LYS HE3 . 28102 1 206 . 1 . 1 24 24 LYS C C 13 176.88 0.3 . 1 . . . . . 24 LYS C . 28102 1 207 . 1 . 1 24 24 LYS CA C 13 58.622 0.3 . 1 . . . . . 24 LYS CA . 28102 1 208 . 1 . 1 24 24 LYS CB C 13 32.263 0.3 . 1 . . . . . 24 LYS CB . 28102 1 209 . 1 . 1 24 24 LYS CG C 13 25.193 0.3 . 1 . . . . . 24 LYS CG . 28102 1 210 . 1 . 1 24 24 LYS CD C 13 28.863 0.3 . 1 . . . . . 24 LYS CD . 28102 1 211 . 1 . 1 24 24 LYS N N 15 122.859 0.2 . 1 . . . . . 24 LYS N . 28102 1 212 . 1 . 1 25 25 SER H H 1 7.843 0.02 . 1 . . . . . 25 SER H . 28102 1 213 . 1 . 1 25 25 SER C C 13 176.128 0.3 . 1 . . . . . 25 SER C . 28102 1 214 . 1 . 1 25 25 SER CA C 13 54.369 0.3 . 1 . . . . . 25 SER CA . 28102 1 215 . 1 . 1 25 25 SER CB C 13 62.902 0.3 . 1 . . . . . 25 SER CB . 28102 1 216 . 1 . 1 25 25 SER N N 15 112.829 0.2 . 1 . . . . . 25 SER N . 28102 1 217 . 1 . 1 26 26 PRO HA H 1 4.415 0.02 . 1 . . . . . 26 PRO HA . 28102 1 218 . 1 . 1 26 26 PRO HB2 H 1 2.146 0.02 . 2 . . . . . 26 PRO HB2 . 28102 1 219 . 1 . 1 26 26 PRO HG2 H 1 1.762 0.02 . 2 . . . . . 26 PRO HG2 . 28102 1 220 . 1 . 1 26 26 PRO C C 13 176.425 0.3 . 1 . . . . . 26 PRO C . 28102 1 221 . 1 . 1 26 26 PRO CA C 13 63.276 0.3 . 1 . . . . . 26 PRO CA . 28102 1 222 . 1 . 1 26 26 PRO CB C 13 32.486 0.3 . 1 . . . . . 26 PRO CB . 28102 1 223 . 1 . 1 26 26 PRO CG C 13 27.184 0.3 . 1 . . . . . 26 PRO CG . 28102 1 224 . 1 . 1 26 26 PRO CD C 13 51.072 0.3 . 1 . . . . . 26 PRO CD . 28102 1 225 . 1 . 1 27 27 GLN H H 1 9.164 0.02 . 1 . . . . . 27 GLN H . 28102 1 226 . 1 . 1 27 27 GLN C C 13 173.019 0.3 . 1 . . . . . 27 GLN C . 28102 1 227 . 1 . 1 27 27 GLN CA C 13 52.293 0.3 . 1 . . . . . 27 GLN CA . 28102 1 228 . 1 . 1 27 27 GLN CB C 13 30.5 0.3 . 1 . . . . . 27 GLN CB . 28102 1 229 . 1 . 1 27 27 GLN N N 15 122.176 0.2 . 1 . . . . . 27 GLN N . 28102 1 230 . 1 . 1 28 28 PRO HA H 1 4.268 0.02 . 1 . . . . . 28 PRO HA . 28102 1 231 . 1 . 1 28 28 PRO HB3 H 1 2.172 0.02 . 2 . . . . . 28 PRO HB3 . 28102 1 232 . 1 . 1 28 28 PRO HG2 H 1 1.721 0.02 . 2 . . . . . 28 PRO HG2 . 28102 1 233 . 1 . 1 28 28 PRO HG3 H 1 1.883 0.02 . 2 . . . . . 28 PRO HG3 . 28102 1 234 . 1 . 1 28 28 PRO C C 13 177.15 0.3 . 1 . . . . . 28 PRO C . 28102 1 235 . 1 . 1 28 28 PRO CA C 13 63.095 0.3 . 1 . . . . . 28 PRO CA . 28102 1 236 . 1 . 1 28 28 PRO CB C 13 31.922 0.3 . 1 . . . . . 28 PRO CB . 28102 1 237 . 1 . 1 28 28 PRO CG C 13 27.433 0.3 . 1 . . . . . 28 PRO CG . 28102 1 238 . 1 . 1 28 28 PRO CD C 13 50.015 0.3 . 1 . . . . . 28 PRO CD . 28102 1 239 . 1 . 1 29 29 VAL H H 1 8.508 0.02 . 1 . . . . . 29 VAL H . 28102 1 240 . 1 . 1 29 29 VAL HA H 1 4.182 0.02 . 1 . . . . . 29 VAL HA . 28102 1 241 . 1 . 1 29 29 VAL HB H 1 1.85 0.02 . 1 . . . . . 29 VAL HB . 28102 1 242 . 1 . 1 29 29 VAL HG11 H 1 0.796 0.02 . 2 . . . . . 29 VAL QG1 . 28102 1 243 . 1 . 1 29 29 VAL HG12 H 1 0.796 0.02 . 2 . . . . . 29 VAL QG1 . 28102 1 244 . 1 . 1 29 29 VAL HG13 H 1 0.796 0.02 . 2 . . . . . 29 VAL QG1 . 28102 1 245 . 1 . 1 29 29 VAL HG21 H 1 0.872 0.02 . 2 . . . . . 29 VAL QG2 . 28102 1 246 . 1 . 1 29 29 VAL HG22 H 1 0.872 0.02 . 2 . . . . . 29 VAL QG2 . 28102 1 247 . 1 . 1 29 29 VAL HG23 H 1 0.872 0.02 . 2 . . . . . 29 VAL QG2 . 28102 1 248 . 1 . 1 29 29 VAL C C 13 176.331 0.3 . 1 . . . . . 29 VAL C . 28102 1 249 . 1 . 1 29 29 VAL CA C 13 61.726 0.3 . 1 . . . . . 29 VAL CA . 28102 1 250 . 1 . 1 29 29 VAL CB C 13 34.037 0.3 . 1 . . . . . 29 VAL CB . 28102 1 251 . 1 . 1 29 29 VAL CG1 C 13 20.533 0.3 . 2 . . . . . 29 VAL CG1 . 28102 1 252 . 1 . 1 29 29 VAL CG2 C 13 21.937 0.3 . 2 . . . . . 29 VAL CG2 . 28102 1 253 . 1 . 1 29 29 VAL N N 15 122.589 0.2 . 1 . . . . . 29 VAL N . 28102 1 254 . 1 . 1 30 30 SER H H 1 8.819 0.02 . 1 . . . . . 30 SER H . 28102 1 255 . 1 . 1 30 30 SER HA H 1 4.555 0.02 . 1 . . . . . 30 SER HA . 28102 1 256 . 1 . 1 30 30 SER HB3 H 1 3.759 0.02 . 2 . . . . . 30 SER HB3 . 28102 1 257 . 1 . 1 30 30 SER C C 13 173.564 0.3 . 1 . . . . . 30 SER C . 28102 1 258 . 1 . 1 30 30 SER CA C 13 58.047 0.3 . 1 . . . . . 30 SER CA . 28102 1 259 . 1 . 1 30 30 SER CB C 13 63.833 0.3 . 1 . . . . . 30 SER CB . 28102 1 260 . 1 . 1 30 30 SER N N 15 121.394 0.2 . 1 . . . . . 30 SER N . 28102 1 261 . 1 . 1 31 31 ALA H H 1 6.932 0.02 . 1 . . . . . 31 ALA H . 28102 1 262 . 1 . 1 31 31 ALA HA H 1 4.49 0.02 . 1 . . . . . 31 ALA HA . 28102 1 263 . 1 . 1 31 31 ALA HB1 H 1 1.186 0.02 . 1 . . . . . 31 ALA HB# . 28102 1 264 . 1 . 1 31 31 ALA HB2 H 1 1.186 0.02 . 1 . . . . . 31 ALA HB# . 28102 1 265 . 1 . 1 31 31 ALA HB3 H 1 1.186 0.02 . 1 . . . . . 31 ALA HB# . 28102 1 266 . 1 . 1 31 31 ALA C C 13 173.84 0.3 . 1 . . . . . 31 ALA C . 28102 1 267 . 1 . 1 31 31 ALA CA C 13 50.545 0.3 . 1 . . . . . 31 ALA CA . 28102 1 268 . 1 . 1 31 31 ALA CB C 13 18.883 0.3 . 1 . . . . . 31 ALA CB . 28102 1 269 . 1 . 1 31 31 ALA N N 15 125.431 0.2 . 1 . . . . . 31 ALA N . 28102 1 270 . 1 . 1 32 32 PRO HA H 1 4.333 0.02 . 1 . . . . . 32 PRO HA . 28102 1 271 . 1 . 1 32 32 PRO HB2 H 1 2.256 0.02 . 2 . . . . . 32 PRO HB2 . 28102 1 272 . 1 . 1 32 32 PRO HB3 H 1 1.699 0.02 . 2 . . . . . 32 PRO HB3 . 28102 1 273 . 1 . 1 32 32 PRO HG2 H 1 1.829 0.02 . 2 . . . . . 32 PRO HG2 . 28102 1 274 . 1 . 1 32 32 PRO HG3 H 1 1.957 0.02 . 2 . . . . . 32 PRO HG3 . 28102 1 275 . 1 . 1 32 32 PRO HD2 H 1 3.195 0.02 . 2 . . . . . 32 PRO HD2 . 28102 1 276 . 1 . 1 32 32 PRO HD3 H 1 3.775 0.02 . 2 . . . . . 32 PRO HD3 . 28102 1 277 . 1 . 1 32 32 PRO C C 13 175.199 0.3 . 1 . . . . . 32 PRO C . 28102 1 278 . 1 . 1 32 32 PRO CA C 13 62.681 0.3 . 1 . . . . . 32 PRO CA . 28102 1 279 . 1 . 1 32 32 PRO CB C 13 32.348 0.3 . 1 . . . . . 32 PRO CB . 28102 1 280 . 1 . 1 32 32 PRO CG C 13 27.246 0.3 . 1 . . . . . 32 PRO CG . 28102 1 281 . 1 . 1 32 32 PRO CD C 13 50.45 0.3 . 1 . . . . . 32 PRO CD . 28102 1 282 . 1 . 1 33 33 ALA H H 1 8.186 0.02 . 1 . . . . . 33 ALA H . 28102 1 283 . 1 . 1 33 33 ALA HA H 1 4.031 0.02 . 1 . . . . . 33 ALA HA . 28102 1 284 . 1 . 1 33 33 ALA HB1 H 1 1.299 0.02 . 1 . . . . . 33 ALA HB# . 28102 1 285 . 1 . 1 33 33 ALA HB2 H 1 1.299 0.02 . 1 . . . . . 33 ALA HB# . 28102 1 286 . 1 . 1 33 33 ALA HB3 H 1 1.299 0.02 . 1 . . . . . 33 ALA HB# . 28102 1 287 . 1 . 1 33 33 ALA C C 13 178.726 0.3 . 1 . . . . . 33 ALA C . 28102 1 288 . 1 . 1 33 33 ALA CA C 13 53.988 0.3 . 1 . . . . . 33 ALA CA . 28102 1 289 . 1 . 1 33 33 ALA CB C 13 18.381 0.3 . 1 . . . . . 33 ALA CB . 28102 1 290 . 1 . 1 33 33 ALA N N 15 121.785 0.2 . 1 . . . . . 33 ALA N . 28102 1 291 . 1 . 1 34 34 GLY H H 1 8.632 0.02 . 1 . . . . . 34 GLY H . 28102 1 292 . 1 . 1 34 34 GLY HA2 H 1 4.152 0.02 . 2 . . . . . 34 GLY HA2 . 28102 1 293 . 1 . 1 34 34 GLY HA3 H 1 3.608 0.02 . 2 . . . . . 34 GLY HA3 . 28102 1 294 . 1 . 1 34 34 GLY C C 13 174.084 0.3 . 1 . . . . . 34 GLY C . 28102 1 295 . 1 . 1 34 34 GLY CA C 13 45.444 0.3 . 1 . . . . . 34 GLY CA . 28102 1 296 . 1 . 1 34 34 GLY N N 15 110.094 0.2 . 1 . . . . . 34 GLY N . 28102 1 297 . 1 . 1 35 35 LYS H H 1 7.833 0.02 . 1 . . . . . 35 LYS H . 28102 1 298 . 1 . 1 35 35 LYS HA H 1 4.444 0.02 . 1 . . . . . 35 LYS HA . 28102 1 299 . 1 . 1 35 35 LYS HB3 H 1 1.614 0.02 . 2 . . . . . 35 LYS HB3 . 28102 1 300 . 1 . 1 35 35 LYS HG3 H 1 1.191 0.02 . 2 . . . . . 35 LYS HG3 . 28102 1 301 . 1 . 1 35 35 LYS C C 13 175.199 0.3 . 1 . . . . . 35 LYS C . 28102 1 302 . 1 . 1 35 35 LYS CA C 13 55.273 0.3 . 1 . . . . . 35 LYS CA . 28102 1 303 . 1 . 1 35 35 LYS CB C 13 35.184 0.3 . 1 . . . . . 35 LYS CB . 28102 1 304 . 1 . 1 35 35 LYS CG C 13 25.504 0.3 . 1 . . . . . 35 LYS CG . 28102 1 305 . 1 . 1 35 35 LYS CD C 13 29.486 0.3 . 1 . . . . . 35 LYS CD . 28102 1 306 . 1 . 1 35 35 LYS N N 15 119.149 0.2 . 1 . . . . . 35 LYS N . 28102 1 307 . 1 . 1 36 36 VAL H H 1 7.927 0.02 . 1 . . . . . 36 VAL H . 28102 1 308 . 1 . 1 36 36 VAL HA H 1 4.266 0.02 . 1 . . . . . 36 VAL HA . 28102 1 309 . 1 . 1 36 36 VAL HB H 1 1.971 0.02 . 1 . . . . . 36 VAL HB . 28102 1 310 . 1 . 1 36 36 VAL HG11 H 1 0.989 0.02 . 2 . . . . . 36 VAL QG1 . 28102 1 311 . 1 . 1 36 36 VAL HG12 H 1 0.989 0.02 . 2 . . . . . 36 VAL QG1 . 28102 1 312 . 1 . 1 36 36 VAL HG13 H 1 0.989 0.02 . 2 . . . . . 36 VAL QG1 . 28102 1 313 . 1 . 1 36 36 VAL HG21 H 1 1.004 0.02 . 2 . . . . . 36 VAL QG2 . 28102 1 314 . 1 . 1 36 36 VAL HG22 H 1 1.004 0.02 . 2 . . . . . 36 VAL QG2 . 28102 1 315 . 1 . 1 36 36 VAL HG23 H 1 1.004 0.02 . 2 . . . . . 36 VAL QG2 . 28102 1 316 . 1 . 1 36 36 VAL C C 13 175.674 0.3 . 1 . . . . . 36 VAL C . 28102 1 317 . 1 . 1 36 36 VAL CA C 13 62.18 0.3 . 1 . . . . . 36 VAL CA . 28102 1 318 . 1 . 1 36 36 VAL CB C 13 32.905 0.3 . 1 . . . . . 36 VAL CB . 28102 1 319 . 1 . 1 36 36 VAL CG1 C 13 22.52 0.3 . 2 . . . . . 36 VAL CG1 . 28102 1 320 . 1 . 1 36 36 VAL CG2 C 13 21.945 0.3 . 2 . . . . . 36 VAL CG2 . 28102 1 321 . 1 . 1 36 36 VAL N N 15 121.585 0.2 . 1 . . . . . 36 VAL N . 28102 1 322 . 1 . 1 37 37 GLU H H 1 9.368 0.02 . 1 . . . . . 37 GLU H . 28102 1 323 . 1 . 1 37 37 GLU HA H 1 4.555 0.02 . 1 . . . . . 37 GLU HA . 28102 1 324 . 1 . 1 37 37 GLU HB3 H 1 1.957 0.02 . 2 . . . . . 37 GLU HB3 . 28102 1 325 . 1 . 1 37 37 GLU HG2 H 1 2.128 0.02 . 2 . . . . . 37 GLU HG2 . 28102 1 326 . 1 . 1 37 37 GLU C C 13 175.125 0.3 . 1 . . . . . 37 GLU C . 28102 1 327 . 1 . 1 37 37 GLU CA C 13 57.329 0.3 . 1 . . . . . 37 GLU CA . 28102 1 328 . 1 . 1 37 37 GLU CB C 13 33.028 0.3 . 1 . . . . . 37 GLU CB . 28102 1 329 . 1 . 1 37 37 GLU CG C 13 38.319 0.3 . 1 . . . . . 37 GLU CG . 28102 1 330 . 1 . 1 37 37 GLU N N 15 130.46 0.2 . 1 . . . . . 37 GLU N . 28102 1 331 . 1 . 1 38 38 VAL H H 1 8.751 0.02 . 1 . . . . . 38 VAL H . 28102 1 332 . 1 . 1 38 38 VAL HA H 1 4.994 0.02 . 1 . . . . . 38 VAL HA . 28102 1 333 . 1 . 1 38 38 VAL HB H 1 2.194 0.02 . 1 . . . . . 38 VAL HB . 28102 1 334 . 1 . 1 38 38 VAL HG11 H 1 1.171 0.02 . 2 . . . . . 38 VAL QG1 . 28102 1 335 . 1 . 1 38 38 VAL HG12 H 1 1.171 0.02 . 2 . . . . . 38 VAL QG1 . 28102 1 336 . 1 . 1 38 38 VAL HG13 H 1 1.171 0.02 . 2 . . . . . 38 VAL QG1 . 28102 1 337 . 1 . 1 38 38 VAL HG21 H 1 1.01 0.02 . 2 . . . . . 38 VAL QG2 . 28102 1 338 . 1 . 1 38 38 VAL HG22 H 1 1.01 0.02 . 2 . . . . . 38 VAL QG2 . 28102 1 339 . 1 . 1 38 38 VAL HG23 H 1 1.01 0.02 . 2 . . . . . 38 VAL QG2 . 28102 1 340 . 1 . 1 38 38 VAL C C 13 173.298 0.3 . 1 . . . . . 38 VAL C . 28102 1 341 . 1 . 1 38 38 VAL CA C 13 62.208 0.3 . 1 . . . . . 38 VAL CA . 28102 1 342 . 1 . 1 38 38 VAL CB C 13 35.61 0.3 . 1 . . . . . 38 VAL CB . 28102 1 343 . 1 . 1 38 38 VAL CG1 C 13 21.647 0.3 . 2 . . . . . 38 VAL CG1 . 28102 1 344 . 1 . 1 38 38 VAL CG2 C 13 22.159 0.3 . 2 . . . . . 38 VAL CG2 . 28102 1 345 . 1 . 1 38 38 VAL N N 15 129.522 0.2 . 1 . . . . . 38 VAL N . 28102 1 346 . 1 . 1 39 39 ILE H H 1 9.016 0.02 . 1 . . . . . 39 ILE H . 28102 1 347 . 1 . 1 39 39 ILE HA H 1 4.746 0.02 . 1 . . . . . 39 ILE HA . 28102 1 348 . 1 . 1 39 39 ILE HB H 1 1.294 0.02 . 1 . . . . . 39 ILE HB . 28102 1 349 . 1 . 1 39 39 ILE HG12 H 1 1.368 0.02 . 2 . . . . . 39 ILE HG12 . 28102 1 350 . 1 . 1 39 39 ILE HG21 H 1 -0.138 0.02 . 1 . . . . . 39 ILE QG2 . 28102 1 351 . 1 . 1 39 39 ILE HG22 H 1 -0.138 0.02 . 1 . . . . . 39 ILE QG2 . 28102 1 352 . 1 . 1 39 39 ILE HG23 H 1 -0.138 0.02 . 1 . . . . . 39 ILE QG2 . 28102 1 353 . 1 . 1 39 39 ILE HD11 H 1 0.537 0.02 . 1 . . . . . 39 ILE QD1 . 28102 1 354 . 1 . 1 39 39 ILE HD12 H 1 0.537 0.02 . 1 . . . . . 39 ILE QD1 . 28102 1 355 . 1 . 1 39 39 ILE HD13 H 1 0.537 0.02 . 1 . . . . . 39 ILE QD1 . 28102 1 356 . 1 . 1 39 39 ILE C C 13 175.619 0.3 . 1 . . . . . 39 ILE C . 28102 1 357 . 1 . 1 39 39 ILE CA C 13 59.304 0.3 . 1 . . . . . 39 ILE CA . 28102 1 358 . 1 . 1 39 39 ILE CB C 13 41.752 0.3 . 1 . . . . . 39 ILE CB . 28102 1 359 . 1 . 1 39 39 ILE CG1 C 13 26.889 0.3 . 1 . . . . . 39 ILE CG1 . 28102 1 360 . 1 . 1 39 39 ILE CG2 C 13 18.501 0.3 . 1 . . . . . 39 ILE CG2 . 28102 1 361 . 1 . 1 39 39 ILE CD1 C 13 13.709 0.3 . 1 . . . . . 39 ILE CD1 . 28102 1 362 . 1 . 1 39 39 ILE N N 15 124.706 0.2 . 1 . . . . . 39 ILE N . 28102 1 363 . 1 . 1 40 40 GLU H H 1 8.645 0.02 . 1 . . . . . 40 GLU H . 28102 1 364 . 1 . 1 40 40 GLU HA H 1 5.089 0.02 . 1 . . . . . 40 GLU HA . 28102 1 365 . 1 . 1 40 40 GLU HB2 H 1 1.723 0.02 . 2 . . . . . 40 GLU HB2 . 28102 1 366 . 1 . 1 40 40 GLU HB3 H 1 1.678 0.02 . 2 . . . . . 40 GLU HB3 . 28102 1 367 . 1 . 1 40 40 GLU HG2 H 1 2.138 0.02 . 2 . . . . . 40 GLU QG . 28102 1 368 . 1 . 1 40 40 GLU HG3 H 1 2.138 0.02 . 2 . . . . . 40 GLU QG . 28102 1 369 . 1 . 1 40 40 GLU C C 13 174.431 0.3 . 1 . . . . . 40 GLU C . 28102 1 370 . 1 . 1 40 40 GLU CA C 13 54.487 0.3 . 1 . . . . . 40 GLU CA . 28102 1 371 . 1 . 1 40 40 GLU CB C 13 30.932 0.3 . 1 . . . . . 40 GLU CB . 28102 1 372 . 1 . 1 40 40 GLU CG C 13 34.023 0.3 . 1 . . . . . 40 GLU CG . 28102 1 373 . 1 . 1 40 40 GLU N N 15 125.302 0.2 . 1 . . . . . 40 GLU N . 28102 1 374 . 1 . 1 41 41 PHE H H 1 9.505 0.02 . 1 . . . . . 41 PHE H . 28102 1 375 . 1 . 1 41 41 PHE HA H 1 5.391 0.02 . 1 . . . . . 41 PHE HA . 28102 1 376 . 1 . 1 41 41 PHE HB2 H 1 2.631 0.02 . 2 . . . . . 41 PHE HB2 . 28102 1 377 . 1 . 1 41 41 PHE HB3 H 1 2.944 0.02 . 2 . . . . . 41 PHE HB3 . 28102 1 378 . 1 . 1 41 41 PHE C C 13 175.692 0.3 . 1 . . . . . 41 PHE C . 28102 1 379 . 1 . 1 41 41 PHE CA C 13 57.71 0.3 . 1 . . . . . 41 PHE CA . 28102 1 380 . 1 . 1 41 41 PHE CB C 13 39.567 0.3 . 1 . . . . . 41 PHE CB . 28102 1 381 . 1 . 1 41 41 PHE N N 15 128.768 0.2 . 1 . . . . . 41 PHE N . 28102 1 382 . 1 . 1 42 42 PHE H H 1 8.797 0.02 . 1 . . . . . 42 PHE H . 28102 1 383 . 1 . 1 42 42 PHE HA H 1 4.98 0.02 . 1 . . . . . 42 PHE HA . 28102 1 384 . 1 . 1 42 42 PHE HB2 H 1 2.687 0.02 . 2 . . . . . 42 PHE HB2 . 28102 1 385 . 1 . 1 42 42 PHE HB3 H 1 3.012 0.02 . 2 . . . . . 42 PHE HB3 . 28102 1 386 . 1 . 1 42 42 PHE C C 13 169.113 0.3 . 1 . . . . . 42 PHE C . 28102 1 387 . 1 . 1 42 42 PHE CA C 13 55.308 0.3 . 1 . . . . . 42 PHE CA . 28102 1 388 . 1 . 1 42 42 PHE CB C 13 43.938 0.3 . 1 . . . . . 42 PHE CB . 28102 1 389 . 1 . 1 42 42 PHE N N 15 123.705 0.2 . 1 . . . . . 42 PHE N . 28102 1 390 . 1 . 1 43 43 TRP H H 1 6.861 0.02 . 1 . . . . . 43 TRP H . 28102 1 391 . 1 . 1 43 43 TRP C C 13 177.076 0.3 . 1 . . . . . 43 TRP C . 28102 1 392 . 1 . 1 43 43 TRP CA C 13 54.092 0.3 . 1 . . . . . 43 TRP CA . 28102 1 393 . 1 . 1 43 43 TRP CB C 13 33.017 0.3 . 1 . . . . . 43 TRP CB . 28102 1 394 . 1 . 1 43 43 TRP N N 15 118.958 0.2 . 1 . . . . . 43 TRP N . 28102 1 395 . 1 . 1 44 44 TYR H H 1 8.583 0.02 . 1 . . . . . 44 TYR H . 28102 1 396 . 1 . 1 44 44 TYR C C 13 180.841 0.3 . 1 . . . . . 44 TYR C . 28102 1 397 . 1 . 1 44 44 TYR N N 15 129.158 0.2 . 1 . . . . . 44 TYR N . 28102 1 398 . 1 . 1 45 45 GLY C C 13 171.235 0.3 . 1 . . . . . 45 GLY C . 28102 1 399 . 1 . 1 45 45 GLY CA C 13 44.44 0.3 . 1 . . . . . 45 GLY CA . 28102 1 400 . 1 . 1 46 46 CYS H H 1 6.999 0.02 . 1 . . . . . 46 CYS H . 28102 1 401 . 1 . 1 46 46 CYS C C 13 173.608 0.3 . 1 . . . . . 46 CYS C . 28102 1 402 . 1 . 1 46 46 CYS CA C 13 52.838 0.3 . 1 . . . . . 46 CYS CA . 28102 1 403 . 1 . 1 46 46 CYS CB C 13 45.365 0.3 . 1 . . . . . 46 CYS CB . 28102 1 404 . 1 . 1 46 46 CYS N N 15 123.07 0.2 . 1 . . . . . 46 CYS N . 28102 1 405 . 1 . 1 48 48 HIS HA H 1 4.584 0.02 . 1 . . . . . 48 HIS HA . 28102 1 406 . 1 . 1 48 48 HIS HB2 H 1 3.174 0.02 . 2 . . . . . 48 HIS HB2 . 28102 1 407 . 1 . 1 48 48 HIS HB3 H 1 2.971 0.02 . 2 . . . . . 48 HIS HB3 . 28102 1 408 . 1 . 1 48 48 HIS C C 13 176.771 0.3 . 1 . . . . . 48 HIS C . 28102 1 409 . 1 . 1 48 48 HIS CA C 13 57.85 0.3 . 1 . . . . . 48 HIS CA . 28102 1 410 . 1 . 1 48 48 HIS CB C 13 30.339 0.3 . 1 . . . . . 48 HIS CB . 28102 1 411 . 1 . 1 49 49 CYS H H 1 8.819 0.02 . 1 . . . . . 49 CYS H . 28102 1 412 . 1 . 1 49 49 CYS HA H 1 4.414 0.02 . 1 . . . . . 49 CYS HA . 28102 1 413 . 1 . 1 49 49 CYS HB3 H 1 3.125 0.02 . 2 . . . . . 49 CYS HB3 . 28102 1 414 . 1 . 1 49 49 CYS C C 13 174.947 0.3 . 1 . . . . . 49 CYS C . 28102 1 415 . 1 . 1 49 49 CYS CA C 13 64.315 0.3 . 1 . . . . . 49 CYS CA . 28102 1 416 . 1 . 1 49 49 CYS CB C 13 34.225 0.3 . 1 . . . . . 49 CYS CB . 28102 1 417 . 1 . 1 49 49 CYS N N 15 117.16 0.2 . 1 . . . . . 49 CYS N . 28102 1 418 . 1 . 1 50 50 TYR H H 1 7.427 0.02 . 1 . . . . . 50 TYR H . 28102 1 419 . 1 . 1 50 50 TYR HA H 1 3.378 0.02 . 1 . . . . . 50 TYR HA . 28102 1 420 . 1 . 1 50 50 TYR HB2 H 1 2.712 0.02 . 2 . . . . . 50 TYR HB2 . 28102 1 421 . 1 . 1 50 50 TYR HB3 H 1 2.269 0.02 . 2 . . . . . 50 TYR HB3 . 28102 1 422 . 1 . 1 50 50 TYR C C 13 177.27 0.3 . 1 . . . . . 50 TYR C . 28102 1 423 . 1 . 1 50 50 TYR CA C 13 58.848 0.3 . 1 . . . . . 50 TYR CA . 28102 1 424 . 1 . 1 50 50 TYR CB C 13 37.341 0.3 . 1 . . . . . 50 TYR CB . 28102 1 425 . 1 . 1 50 50 TYR N N 15 121.073 0.2 . 1 . . . . . 50 TYR N . 28102 1 426 . 1 . 1 51 51 GLU H H 1 7.897 0.02 . 1 . . . . . 51 GLU H . 28102 1 427 . 1 . 1 51 51 GLU HA H 1 3.548 0.02 . 1 . . . . . 51 GLU HA . 28102 1 428 . 1 . 1 51 51 GLU HB2 H 1 1.927 0.02 . 2 . . . . . 51 GLU QB . 28102 1 429 . 1 . 1 51 51 GLU HB3 H 1 1.927 0.02 . 2 . . . . . 51 GLU QB . 28102 1 430 . 1 . 1 51 51 GLU HG2 H 1 2.275 0.02 . 2 . . . . . 51 GLU HG2 . 28102 1 431 . 1 . 1 51 51 GLU HG3 H 1 2.116 0.02 . 2 . . . . . 51 GLU HG3 . 28102 1 432 . 1 . 1 51 51 GLU C C 13 177.478 0.3 . 1 . . . . . 51 GLU C . 28102 1 433 . 1 . 1 51 51 GLU CA C 13 58.792 0.3 . 1 . . . . . 51 GLU CA . 28102 1 434 . 1 . 1 51 51 GLU CB C 13 29.968 0.3 . 1 . . . . . 51 GLU CB . 28102 1 435 . 1 . 1 51 51 GLU CG C 13 36.204 0.3 . 1 . . . . . 51 GLU CG . 28102 1 436 . 1 . 1 51 51 GLU N N 15 117.286 0.2 . 1 . . . . . 51 GLU N . 28102 1 437 . 1 . 1 52 52 PHE H H 1 7.65 0.02 . 1 . . . . . 52 PHE H . 28102 1 438 . 1 . 1 52 52 PHE HA H 1 4.454 0.02 . 1 . . . . . 52 PHE HA . 28102 1 439 . 1 . 1 52 52 PHE HB2 H 1 3.387 0.02 . 2 . . . . . 52 PHE HB2 . 28102 1 440 . 1 . 1 52 52 PHE HB3 H 1 2.944 0.02 . 2 . . . . . 52 PHE HB3 . 28102 1 441 . 1 . 1 52 52 PHE C C 13 175.235 0.3 . 1 . . . . . 52 PHE C . 28102 1 442 . 1 . 1 52 52 PHE CA C 13 57.683 0.3 . 1 . . . . . 52 PHE CA . 28102 1 443 . 1 . 1 52 52 PHE CB C 13 40.6 0.3 . 1 . . . . . 52 PHE CB . 28102 1 444 . 1 . 1 52 52 PHE N N 15 115.733 0.2 . 1 . . . . . 52 PHE N . 28102 1 445 . 1 . 1 53 53 GLU H H 1 7.165 0.02 . 1 . . . . . 53 GLU H . 28102 1 446 . 1 . 1 53 53 GLU C C 13 174.267 0.3 . 1 . . . . . 53 GLU C . 28102 1 447 . 1 . 1 53 53 GLU CA C 13 60.04 0.3 . 1 . . . . . 53 GLU CA . 28102 1 448 . 1 . 1 53 53 GLU CB C 13 26.574 0.3 . 1 . . . . . 53 GLU CB . 28102 1 449 . 1 . 1 53 53 GLU N N 15 118.47 0.2 . 1 . . . . . 53 GLU N . 28102 1 450 . 1 . 1 54 54 PRO HA H 1 4.13 0.02 . 1 . . . . . 54 PRO HA . 28102 1 451 . 1 . 1 54 54 PRO HB2 H 1 2.118 0.02 . 2 . . . . . 54 PRO HB2 . 28102 1 452 . 1 . 1 54 54 PRO HG2 H 1 1.715 0.02 . 2 . . . . . 54 PRO HG2 . 28102 1 453 . 1 . 1 54 54 PRO C C 13 180.038 0.3 . 1 . . . . . 54 PRO C . 28102 1 454 . 1 . 1 54 54 PRO CA C 13 65.631 0.3 . 1 . . . . . 54 PRO CA . 28102 1 455 . 1 . 1 54 54 PRO CB C 13 30.463 0.3 . 1 . . . . . 54 PRO CB . 28102 1 456 . 1 . 1 54 54 PRO CG C 13 28.428 0.3 . 1 . . . . . 54 PRO CG . 28102 1 457 . 1 . 1 54 54 PRO CD C 13 49.33 0.3 . 1 . . . . . 54 PRO CD . 28102 1 458 . 1 . 1 55 55 THR H H 1 6.987 0.02 . 1 . . . . . 55 THR H . 28102 1 459 . 1 . 1 55 55 THR HA H 1 3.729 0.02 . 1 . . . . . 55 THR HA . 28102 1 460 . 1 . 1 55 55 THR HB H 1 3.74 0.02 . 1 . . . . . 55 THR HB . 28102 1 461 . 1 . 1 55 55 THR HG21 H 1 0.918 0.02 . 1 . . . . . 55 THR QG2 . 28102 1 462 . 1 . 1 55 55 THR HG22 H 1 0.918 0.02 . 1 . . . . . 55 THR QG2 . 28102 1 463 . 1 . 1 55 55 THR HG23 H 1 0.918 0.02 . 1 . . . . . 55 THR QG2 . 28102 1 464 . 1 . 1 55 55 THR C C 13 176.514 0.3 . 1 . . . . . 55 THR C . 28102 1 465 . 1 . 1 55 55 THR CA C 13 66.661 0.3 . 1 . . . . . 55 THR CA . 28102 1 466 . 1 . 1 55 55 THR CB C 13 68.238 0.3 . 1 . . . . . 55 THR CB . 28102 1 467 . 1 . 1 55 55 THR CG2 C 13 21.742 0.3 . 1 . . . . . 55 THR CG2 . 28102 1 468 . 1 . 1 55 55 THR N N 15 115.432 0.2 . 1 . . . . . 55 THR N . 28102 1 469 . 1 . 1 56 56 ILE H H 1 7.554 0.02 . 1 . . . . . 56 ILE H . 28102 1 470 . 1 . 1 56 56 ILE HA H 1 3.794 0.02 . 1 . . . . . 56 ILE HA . 28102 1 471 . 1 . 1 56 56 ILE HB H 1 0.821 0.02 . 1 . . . . . 56 ILE HB . 28102 1 472 . 1 . 1 56 56 ILE HG12 H 1 0.952 0.02 . 2 . . . . . 56 ILE HG12 . 28102 1 473 . 1 . 1 56 56 ILE HG13 H 1 1.32 0.02 . 2 . . . . . 56 ILE HG13 . 28102 1 474 . 1 . 1 56 56 ILE HG21 H 1 0.731 0.02 . 1 . . . . . 56 ILE QG2 . 28102 1 475 . 1 . 1 56 56 ILE HG22 H 1 0.731 0.02 . 1 . . . . . 56 ILE QG2 . 28102 1 476 . 1 . 1 56 56 ILE HG23 H 1 0.731 0.02 . 1 . . . . . 56 ILE QG2 . 28102 1 477 . 1 . 1 56 56 ILE HD11 H 1 0.551 0.02 . 1 . . . . . 56 ILE QD1 . 28102 1 478 . 1 . 1 56 56 ILE HD12 H 1 0.551 0.02 . 1 . . . . . 56 ILE QD1 . 28102 1 479 . 1 . 1 56 56 ILE HD13 H 1 0.551 0.02 . 1 . . . . . 56 ILE QD1 . 28102 1 480 . 1 . 1 56 56 ILE C C 13 176.095 0.3 . 1 . . . . . 56 ILE C . 28102 1 481 . 1 . 1 56 56 ILE CA C 13 61.5 0.3 . 1 . . . . . 56 ILE CA . 28102 1 482 . 1 . 1 56 56 ILE CB C 13 36.83 0.3 . 1 . . . . . 56 ILE CB . 28102 1 483 . 1 . 1 56 56 ILE CG1 C 13 29.013 0.3 . 1 . . . . . 56 ILE CG1 . 28102 1 484 . 1 . 1 56 56 ILE CG2 C 13 18.436 0.3 . 1 . . . . . 56 ILE CG2 . 28102 1 485 . 1 . 1 56 56 ILE CD1 C 13 13.373 0.3 . 1 . . . . . 56 ILE CD1 . 28102 1 486 . 1 . 1 56 56 ILE N N 15 122.645 0.2 . 1 . . . . . 56 ILE N . 28102 1 487 . 1 . 1 57 57 GLU H H 1 8.207 0.02 . 1 . . . . . 57 GLU H . 28102 1 488 . 1 . 1 57 57 GLU HA H 1 3.649 0.02 . 1 . . . . . 57 GLU HA . 28102 1 489 . 1 . 1 57 57 GLU HB2 H 1 1.817 0.02 . 2 . . . . . 57 GLU HB2 . 28102 1 490 . 1 . 1 57 57 GLU HB3 H 1 1.888 0.02 . 2 . . . . . 57 GLU HB3 . 28102 1 491 . 1 . 1 57 57 GLU HG2 H 1 2.017 0.02 . 2 . . . . . 57 GLU HG2 . 28102 1 492 . 1 . 1 57 57 GLU HG3 H 1 2.268 0.02 . 2 . . . . . 57 GLU HG3 . 28102 1 493 . 1 . 1 57 57 GLU C C 13 179.128 0.3 . 1 . . . . . 57 GLU C . 28102 1 494 . 1 . 1 57 57 GLU CA C 13 59.88 0.3 . 1 . . . . . 57 GLU CA . 28102 1 495 . 1 . 1 57 57 GLU CB C 13 29.206 0.3 . 1 . . . . . 57 GLU CB . 28102 1 496 . 1 . 1 57 57 GLU CG C 13 35.955 0.3 . 1 . . . . . 57 GLU CG . 28102 1 497 . 1 . 1 57 57 GLU N N 15 122.525 0.2 . 1 . . . . . 57 GLU N . 28102 1 498 . 1 . 1 58 58 ALA H H 1 7.311 0.02 . 1 . . . . . 58 ALA H . 28102 1 499 . 1 . 1 58 58 ALA HA H 1 4.238 0.02 . 1 . . . . . 58 ALA HA . 28102 1 500 . 1 . 1 58 58 ALA HB1 H 1 1.58 0.02 . 1 . . . . . 58 ALA HB# . 28102 1 501 . 1 . 1 58 58 ALA HB2 H 1 1.58 0.02 . 1 . . . . . 58 ALA HB# . 28102 1 502 . 1 . 1 58 58 ALA HB3 H 1 1.58 0.02 . 1 . . . . . 58 ALA HB# . 28102 1 503 . 1 . 1 58 58 ALA C C 13 179.914 0.3 . 1 . . . . . 58 ALA C . 28102 1 504 . 1 . 1 58 58 ALA CA C 13 55.048 0.3 . 1 . . . . . 58 ALA CA . 28102 1 505 . 1 . 1 58 58 ALA CB C 13 18.11 0.3 . 1 . . . . . 58 ALA CB . 28102 1 506 . 1 . 1 58 58 ALA N N 15 119.681 0.2 . 1 . . . . . 58 ALA N . 28102 1 507 . 1 . 1 59 59 TRP H H 1 7.979 0.02 . 1 . . . . . 59 TRP H . 28102 1 508 . 1 . 1 59 59 TRP HA H 1 3.921 0.02 . 1 . . . . . 59 TRP HA . 28102 1 509 . 1 . 1 59 59 TRP HB2 H 1 3.101 0.02 . 2 . . . . . 59 TRP HB2 . 28102 1 510 . 1 . 1 59 59 TRP C C 13 177.446 0.3 . 1 . . . . . 59 TRP C . 28102 1 511 . 1 . 1 59 59 TRP CA C 13 63.375 0.3 . 1 . . . . . 59 TRP CA . 28102 1 512 . 1 . 1 59 59 TRP CB C 13 28.286 0.3 . 1 . . . . . 59 TRP CB . 28102 1 513 . 1 . 1 59 59 TRP N N 15 121.839 0.2 . 1 . . . . . 59 TRP N . 28102 1 514 . 1 . 1 60 60 VAL H H 1 8.691 0.02 . 1 . . . . . 60 VAL H . 28102 1 515 . 1 . 1 60 60 VAL HA H 1 2.821 0.02 . 1 . . . . . 60 VAL HA . 28102 1 516 . 1 . 1 60 60 VAL HB H 1 1.698 0.02 . 1 . . . . . 60 VAL HB . 28102 1 517 . 1 . 1 60 60 VAL HG11 H 1 0.515 0.02 . 2 . . . . . 60 VAL QG1 . 28102 1 518 . 1 . 1 60 60 VAL HG12 H 1 0.515 0.02 . 2 . . . . . 60 VAL QG1 . 28102 1 519 . 1 . 1 60 60 VAL HG13 H 1 0.515 0.02 . 2 . . . . . 60 VAL QG1 . 28102 1 520 . 1 . 1 60 60 VAL HG21 H 1 0.078 0.02 . 2 . . . . . 60 VAL QG2 . 28102 1 521 . 1 . 1 60 60 VAL HG22 H 1 0.078 0.02 . 2 . . . . . 60 VAL QG2 . 28102 1 522 . 1 . 1 60 60 VAL HG23 H 1 0.078 0.02 . 2 . . . . . 60 VAL QG2 . 28102 1 523 . 1 . 1 60 60 VAL C C 13 179.584 0.3 . 1 . . . . . 60 VAL C . 28102 1 524 . 1 . 1 60 60 VAL CA C 13 66.777 0.3 . 1 . . . . . 60 VAL CA . 28102 1 525 . 1 . 1 60 60 VAL CB C 13 31.468 0.3 . 1 . . . . . 60 VAL CB . 28102 1 526 . 1 . 1 60 60 VAL CG1 C 13 20.689 0.3 . 2 . . . . . 60 VAL CG1 . 28102 1 527 . 1 . 1 60 60 VAL CG2 C 13 21.967 0.3 . 2 . . . . . 60 VAL CG2 . 28102 1 528 . 1 . 1 60 60 VAL N N 15 119.474 0.2 . 1 . . . . . 60 VAL N . 28102 1 529 . 1 . 1 61 61 LYS H H 1 7.465 0.02 . 1 . . . . . 61 LYS H . 28102 1 530 . 1 . 1 61 61 LYS HA H 1 3.81 0.02 . 1 . . . . . 61 LYS HA . 28102 1 531 . 1 . 1 61 61 LYS HB2 H 1 1.705 0.02 . 2 . . . . . 61 LYS QB . 28102 1 532 . 1 . 1 61 61 LYS HB3 H 1 1.705 0.02 . 2 . . . . . 61 LYS QB . 28102 1 533 . 1 . 1 61 61 LYS HG2 H 1 1.273 0.02 . 2 . . . . . 61 LYS HG2 . 28102 1 534 . 1 . 1 61 61 LYS HG3 H 1 1.397 0.02 . 2 . . . . . 61 LYS HG3 . 28102 1 535 . 1 . 1 61 61 LYS C C 13 178.835 0.3 . 1 . . . . . 61 LYS C . 28102 1 536 . 1 . 1 61 61 LYS CA C 13 59.404 0.3 . 1 . . . . . 61 LYS CA . 28102 1 537 . 1 . 1 61 61 LYS CB C 13 31.984 0.3 . 1 . . . . . 61 LYS CB . 28102 1 538 . 1 . 1 61 61 LYS CG C 13 25.131 0.3 . 1 . . . . . 61 LYS CG . 28102 1 539 . 1 . 1 61 61 LYS CD C 13 29.112 0.3 . 1 . . . . . 61 LYS CD . 28102 1 540 . 1 . 1 61 61 LYS CE C 13 41.928 0.3 . 1 . . . . . 61 LYS CE . 28102 1 541 . 1 . 1 61 61 LYS N N 15 119.646 0.2 . 1 . . . . . 61 LYS N . 28102 1 542 . 1 . 1 62 62 LYS H H 1 7.491 0.02 . 1 . . . . . 62 LYS H . 28102 1 543 . 1 . 1 62 62 LYS HA H 1 3.79 0.02 . 1 . . . . . 62 LYS HA . 28102 1 544 . 1 . 1 62 62 LYS HB2 H 1 1.655 0.02 . 2 . . . . . 62 LYS QB . 28102 1 545 . 1 . 1 62 62 LYS HB3 H 1 1.655 0.02 . 2 . . . . . 62 LYS QB . 28102 1 546 . 1 . 1 62 62 LYS HG2 H 1 1.064 0.02 . 2 . . . . . 62 LYS HG2 . 28102 1 547 . 1 . 1 62 62 LYS HG3 H 1 1.322 0.02 . 2 . . . . . 62 LYS HG3 . 28102 1 548 . 1 . 1 62 62 LYS C C 13 178.28 0.3 . 1 . . . . . 62 LYS C . 28102 1 549 . 1 . 1 62 62 LYS CA C 13 59.029 0.3 . 1 . . . . . 62 LYS CA . 28102 1 550 . 1 . 1 62 62 LYS CB C 13 31.7 0.3 . 1 . . . . . 62 LYS CB . 28102 1 551 . 1 . 1 62 62 LYS CG C 13 24.695 0.3 . 1 . . . . . 62 LYS CG . 28102 1 552 . 1 . 1 62 62 LYS CD C 13 29.382 0.3 . 1 . . . . . 62 LYS CD . 28102 1 553 . 1 . 1 62 62 LYS CE C 13 41.744 0.3 . 1 . . . . . 62 LYS CE . 28102 1 554 . 1 . 1 62 62 LYS N N 15 119.496 0.2 . 1 . . . . . 62 LYS N . 28102 1 555 . 1 . 1 63 63 GLN H H 1 7.379 0.02 . 1 . . . . . 63 GLN H . 28102 1 556 . 1 . 1 63 63 GLN HA H 1 3.603 0.02 . 1 . . . . . 63 GLN HA . 28102 1 557 . 1 . 1 63 63 GLN HB2 H 1 1 0.02 . 2 . . . . . 63 GLN HB2 . 28102 1 558 . 1 . 1 63 63 GLN HB3 H 1 1.05 0.02 . 2 . . . . . 63 GLN HB3 . 28102 1 559 . 1 . 1 63 63 GLN HG3 H 1 1.705 0.02 . 2 . . . . . 63 GLN HG3 . 28102 1 560 . 1 . 1 63 63 GLN C C 13 178.309 0.3 . 1 . . . . . 63 GLN C . 28102 1 561 . 1 . 1 63 63 GLN CA C 13 56.602 0.3 . 1 . . . . . 63 GLN CA . 28102 1 562 . 1 . 1 63 63 GLN CB C 13 28.175 0.3 . 1 . . . . . 63 GLN CB . 28102 1 563 . 1 . 1 63 63 GLN CG C 13 30.73 0.3 . 1 . . . . . 63 GLN CG . 28102 1 564 . 1 . 1 63 63 GLN N N 15 116.153 0.2 . 1 . . . . . 63 GLN N . 28102 1 565 . 1 . 1 64 64 GLY H H 1 7.327 0.02 . 1 . . . . . 64 GLY H . 28102 1 566 . 1 . 1 64 64 GLY HA2 H 1 3.705 0.02 . 2 . . . . . 64 GLY HA2 . 28102 1 567 . 1 . 1 64 64 GLY C C 13 175.382 0.3 . 1 . . . . . 64 GLY C . 28102 1 568 . 1 . 1 64 64 GLY CA C 13 47.193 0.3 . 1 . . . . . 64 GLY CA . 28102 1 569 . 1 . 1 64 64 GLY N N 15 105.498 0.2 . 1 . . . . . 64 GLY N . 28102 1 570 . 1 . 1 65 65 ASP H H 1 8.576 0.02 . 1 . . . . . 65 ASP H . 28102 1 571 . 1 . 1 65 65 ASP HA H 1 4.495 0.02 . 1 . . . . . 65 ASP HA . 28102 1 572 . 1 . 1 65 65 ASP HB2 H 1 2.673 0.02 . 2 . . . . . 65 ASP HB2 . 28102 1 573 . 1 . 1 65 65 ASP HB3 H 1 2.611 0.02 . 2 . . . . . 65 ASP HB3 . 28102 1 574 . 1 . 1 65 65 ASP C C 13 176.387 0.3 . 1 . . . . . 65 ASP C . 28102 1 575 . 1 . 1 65 65 ASP CA C 13 55.349 0.3 . 1 . . . . . 65 ASP CA . 28102 1 576 . 1 . 1 65 65 ASP CB C 13 40.518 0.3 . 1 . . . . . 65 ASP CB . 28102 1 577 . 1 . 1 65 65 ASP N N 15 124.223 0.2 . 1 . . . . . 65 ASP N . 28102 1 578 . 1 . 1 66 66 LYS H H 1 7.575 0.02 . 1 . . . . . 66 LYS H . 28102 1 579 . 1 . 1 66 66 LYS HA H 1 4.152 0.02 . 1 . . . . . 66 LYS HA . 28102 1 580 . 1 . 1 66 66 LYS HB3 H 1 1.796 0.02 . 2 . . . . . 66 LYS HB3 . 28102 1 581 . 1 . 1 66 66 LYS HG2 H 1 1.514 0.02 . 2 . . . . . 66 LYS HG2 . 28102 1 582 . 1 . 1 66 66 LYS C C 13 177.355 0.3 . 1 . . . . . 66 LYS C . 28102 1 583 . 1 . 1 66 66 LYS CA C 13 57.971 0.3 . 1 . . . . . 66 LYS CA . 28102 1 584 . 1 . 1 66 66 LYS CB C 13 33.113 0.3 . 1 . . . . . 66 LYS CB . 28102 1 585 . 1 . 1 66 66 LYS CG C 13 25.193 0.3 . 1 . . . . . 66 LYS CG . 28102 1 586 . 1 . 1 66 66 LYS CD C 13 28.428 0.3 . 1 . . . . . 66 LYS CD . 28102 1 587 . 1 . 1 66 66 LYS CE C 13 42.114 0.3 . 1 . . . . . 66 LYS CE . 28102 1 588 . 1 . 1 66 66 LYS N N 15 116.228 0.2 . 1 . . . . . 66 LYS N . 28102 1 589 . 1 . 1 67 67 ILE H H 1 7.162 0.02 . 1 . . . . . 67 ILE H . 28102 1 590 . 1 . 1 67 67 ILE HA H 1 5.322 0.02 . 1 . . . . . 67 ILE HA . 28102 1 591 . 1 . 1 67 67 ILE HB H 1 1.878 0.02 . 1 . . . . . 67 ILE HB . 28102 1 592 . 1 . 1 67 67 ILE HG12 H 1 1.96 0.02 . 2 . . . . . 67 ILE HG12 . 28102 1 593 . 1 . 1 67 67 ILE HG13 H 1 1.142 0.02 . 2 . . . . . 67 ILE HG13 . 28102 1 594 . 1 . 1 67 67 ILE HG21 H 1 0.697 0.02 . 1 . . . . . 67 ILE QG2 . 28102 1 595 . 1 . 1 67 67 ILE HG22 H 1 0.697 0.02 . 1 . . . . . 67 ILE QG2 . 28102 1 596 . 1 . 1 67 67 ILE HG23 H 1 0.697 0.02 . 1 . . . . . 67 ILE QG2 . 28102 1 597 . 1 . 1 67 67 ILE HD11 H 1 0.677 0.02 . 1 . . . . . 67 ILE QD1 . 28102 1 598 . 1 . 1 67 67 ILE HD12 H 1 0.677 0.02 . 1 . . . . . 67 ILE QD1 . 28102 1 599 . 1 . 1 67 67 ILE HD13 H 1 0.677 0.02 . 1 . . . . . 67 ILE QD1 . 28102 1 600 . 1 . 1 67 67 ILE C C 13 173.573 0.3 . 1 . . . . . 67 ILE C . 28102 1 601 . 1 . 1 67 67 ILE CA C 13 58.474 0.3 . 1 . . . . . 67 ILE CA . 28102 1 602 . 1 . 1 67 67 ILE CB C 13 42.242 0.3 . 1 . . . . . 67 ILE CB . 28102 1 603 . 1 . 1 67 67 ILE CG1 C 13 24.611 0.3 . 1 . . . . . 67 ILE CG1 . 28102 1 604 . 1 . 1 67 67 ILE CG2 C 13 17.33 0.3 . 1 . . . . . 67 ILE CG2 . 28102 1 605 . 1 . 1 67 67 ILE CD1 C 13 16.817 0.3 . 1 . . . . . 67 ILE CD1 . 28102 1 606 . 1 . 1 67 67 ILE N N 15 107.892 0.2 . 1 . . . . . 67 ILE N . 28102 1 607 . 1 . 1 68 68 ALA H H 1 8.473 0.02 . 1 . . . . . 68 ALA H . 28102 1 608 . 1 . 1 68 68 ALA HA H 1 4.676 0.02 . 1 . . . . . 68 ALA HA . 28102 1 609 . 1 . 1 68 68 ALA HB1 H 1 1.182 0.02 . 1 . . . . . 68 ALA HB# . 28102 1 610 . 1 . 1 68 68 ALA HB2 H 1 1.182 0.02 . 1 . . . . . 68 ALA HB# . 28102 1 611 . 1 . 1 68 68 ALA HB3 H 1 1.182 0.02 . 1 . . . . . 68 ALA HB# . 28102 1 612 . 1 . 1 68 68 ALA C C 13 175.236 0.3 . 1 . . . . . 68 ALA C . 28102 1 613 . 1 . 1 68 68 ALA CA C 13 51.167 0.3 . 1 . . . . . 68 ALA CA . 28102 1 614 . 1 . 1 68 68 ALA CB C 13 20.495 0.3 . 1 . . . . . 68 ALA CB . 28102 1 615 . 1 . 1 68 68 ALA N N 15 125.057 0.2 . 1 . . . . . 68 ALA N . 28102 1 616 . 1 . 1 69 69 PHE H H 1 8.92 0.02 . 1 . . . . . 69 PHE H . 28102 1 617 . 1 . 1 69 69 PHE HA H 1 5.794 0.02 . 1 . . . . . 69 PHE HA . 28102 1 618 . 1 . 1 69 69 PHE HB3 H 1 2.853 0.02 . 2 . . . . . 69 PHE HB3 . 28102 1 619 . 1 . 1 69 69 PHE C C 13 174.65 0.3 . 1 . . . . . 69 PHE C . 28102 1 620 . 1 . 1 69 69 PHE CA C 13 56.994 0.3 . 1 . . . . . 69 PHE CA . 28102 1 621 . 1 . 1 69 69 PHE CB C 13 42.06 0.3 . 1 . . . . . 69 PHE CB . 28102 1 622 . 1 . 1 69 69 PHE N N 15 126.141 0.2 . 1 . . . . . 69 PHE N . 28102 1 623 . 1 . 1 70 70 LYS H H 1 8.038 0.02 . 1 . . . . . 70 LYS H . 28102 1 624 . 1 . 1 70 70 LYS HA H 1 4.223 0.02 . 1 . . . . . 70 LYS HA . 28102 1 625 . 1 . 1 70 70 LYS HB3 H 1 1.548 0.02 . 2 . . . . . 70 LYS HB3 . 28102 1 626 . 1 . 1 70 70 LYS HG2 H 1 1.232 0.02 . 2 . . . . . 70 LYS HG2 . 28102 1 627 . 1 . 1 70 70 LYS HG3 H 1 0.899 0.02 . 2 . . . . . 70 LYS HG3 . 28102 1 628 . 1 . 1 70 70 LYS C C 13 172.147 0.3 . 1 . . . . . 70 LYS C . 28102 1 629 . 1 . 1 70 70 LYS CA C 13 55.136 0.3 . 1 . . . . . 70 LYS CA . 28102 1 630 . 1 . 1 70 70 LYS CB C 13 35.855 0.3 . 1 . . . . . 70 LYS CB . 28102 1 631 . 1 . 1 70 70 LYS CG C 13 24.073 0.3 . 1 . . . . . 70 LYS CG . 28102 1 632 . 1 . 1 70 70 LYS CD C 13 29.548 0.3 . 1 . . . . . 70 LYS CD . 28102 1 633 . 1 . 1 70 70 LYS CE C 13 41.909 0.3 . 1 . . . . . 70 LYS CE . 28102 1 634 . 1 . 1 70 70 LYS N N 15 127.213 0.2 . 1 . . . . . 70 LYS N . 28102 1 635 . 1 . 1 71 71 ARG H H 1 8.08 0.02 . 1 . . . . . 71 ARG H . 28102 1 636 . 1 . 1 71 71 ARG HA H 1 4.867 0.02 . 1 . . . . . 71 ARG HA . 28102 1 637 . 1 . 1 71 71 ARG HB3 H 1 1.312 0.02 . 2 . . . . . 71 ARG HB3 . 28102 1 638 . 1 . 1 71 71 ARG C C 13 174.76 0.3 . 1 . . . . . 71 ARG C . 28102 1 639 . 1 . 1 71 71 ARG CA C 13 54.241 0.3 . 1 . . . . . 71 ARG CA . 28102 1 640 . 1 . 1 71 71 ARG CB C 13 33.396 0.3 . 1 . . . . . 71 ARG CB . 28102 1 641 . 1 . 1 71 71 ARG CG C 13 28.677 0.3 . 1 . . . . . 71 ARG CG . 28102 1 642 . 1 . 1 71 71 ARG CD C 13 43.732 0.3 . 1 . . . . . 71 ARG CD . 28102 1 643 . 1 . 1 71 71 ARG N N 15 119.234 0.2 . 1 . . . . . 71 ARG N . 28102 1 644 . 1 . 1 72 72 VAL H H 1 8.371 0.02 . 1 . . . . . 72 VAL H . 28102 1 645 . 1 . 1 72 72 VAL HG11 H 1 0.777 0.02 . 2 . . . . . 72 VAL QG1 . 28102 1 646 . 1 . 1 72 72 VAL HG12 H 1 0.777 0.02 . 2 . . . . . 72 VAL QG1 . 28102 1 647 . 1 . 1 72 72 VAL HG13 H 1 0.777 0.02 . 2 . . . . . 72 VAL QG1 . 28102 1 648 . 1 . 1 72 72 VAL HG21 H 1 0.105 0.02 . 2 . . . . . 72 VAL QG2 . 28102 1 649 . 1 . 1 72 72 VAL HG22 H 1 0.105 0.02 . 2 . . . . . 72 VAL QG2 . 28102 1 650 . 1 . 1 72 72 VAL HG23 H 1 0.105 0.02 . 2 . . . . . 72 VAL QG2 . 28102 1 651 . 1 . 1 72 72 VAL C C 13 172.329 0.3 . 1 . . . . . 72 VAL C . 28102 1 652 . 1 . 1 72 72 VAL CA C 13 58.48 0.3 . 1 . . . . . 72 VAL CA . 28102 1 653 . 1 . 1 72 72 VAL CB C 13 35.296 0.3 . 1 . . . . . 72 VAL CB . 28102 1 654 . 1 . 1 72 72 VAL CG1 C 13 21.019 0.3 . 2 . . . . . 72 VAL CG1 . 28102 1 655 . 1 . 1 72 72 VAL CG2 C 13 20.682 0.3 . 2 . . . . . 72 VAL CG2 . 28102 1 656 . 1 . 1 72 72 VAL N N 15 120.837 0.2 . 1 . . . . . 72 VAL N . 28102 1 657 . 1 . 1 73 73 PRO HA H 1 4.051 0.02 . 1 . . . . . 73 PRO HA . 28102 1 658 . 1 . 1 73 73 PRO HB2 H 1 1.973 0.02 . 2 . . . . . 73 PRO HB2 . 28102 1 659 . 1 . 1 73 73 PRO CA C 13 61.71 0.3 . 1 . . . . . 73 PRO CA . 28102 1 660 . 1 . 1 73 73 PRO CB C 13 31.216 0.3 . 1 . . . . . 73 PRO CB . 28102 1 661 . 1 . 1 73 73 PRO CG C 13 26.624 0.3 . 1 . . . . . 73 PRO CG . 28102 1 662 . 1 . 1 74 74 VAL H H 1 7.416 0.02 . 1 . . . . . 74 VAL H . 28102 1 663 . 1 . 1 74 74 VAL HA H 1 3.679 0.02 . 1 . . . . . 74 VAL HA . 28102 1 664 . 1 . 1 74 74 VAL HB H 1 1.069 0.02 . 1 . . . . . 74 VAL HB . 28102 1 665 . 1 . 1 74 74 VAL HG11 H 1 -0.283 0.02 . 2 . . . . . 74 VAL QG1 . 28102 1 666 . 1 . 1 74 74 VAL HG12 H 1 -0.283 0.02 . 2 . . . . . 74 VAL QG1 . 28102 1 667 . 1 . 1 74 74 VAL HG13 H 1 -0.283 0.02 . 2 . . . . . 74 VAL QG1 . 28102 1 668 . 1 . 1 74 74 VAL HG21 H 1 0.67 0.02 . 2 . . . . . 74 VAL QG2 . 28102 1 669 . 1 . 1 74 74 VAL HG22 H 1 0.67 0.02 . 2 . . . . . 74 VAL QG2 . 28102 1 670 . 1 . 1 74 74 VAL HG23 H 1 0.67 0.02 . 2 . . . . . 74 VAL QG2 . 28102 1 671 . 1 . 1 74 74 VAL C C 13 175.125 0.3 . 1 . . . . . 74 VAL C . 28102 1 672 . 1 . 1 74 74 VAL CA C 13 61.213 0.3 . 1 . . . . . 74 VAL CA . 28102 1 673 . 1 . 1 74 74 VAL CB C 13 34.804 0.3 . 1 . . . . . 74 VAL CB . 28102 1 674 . 1 . 1 74 74 VAL CG1 C 13 19.979 0.3 . 2 . . . . . 74 VAL CG1 . 28102 1 675 . 1 . 1 74 74 VAL CG2 C 13 22.469 0.3 . 2 . . . . . 74 VAL CG2 . 28102 1 676 . 1 . 1 74 74 VAL N N 15 117.311 0.2 . 1 . . . . . 74 VAL N . 28102 1 677 . 1 . 1 75 75 ALA H H 1 8.64 0.02 . 1 . . . . . 75 ALA H . 28102 1 678 . 1 . 1 75 75 ALA HA H 1 4.313 0.02 . 1 . . . . . 75 ALA HA . 28102 1 679 . 1 . 1 75 75 ALA HB1 H 1 1.005 0.02 . 1 . . . . . 75 ALA HB# . 28102 1 680 . 1 . 1 75 75 ALA HB2 H 1 1.005 0.02 . 1 . . . . . 75 ALA HB# . 28102 1 681 . 1 . 1 75 75 ALA HB3 H 1 1.005 0.02 . 1 . . . . . 75 ALA HB# . 28102 1 682 . 1 . 1 75 75 ALA C C 13 175.733 0.3 . 1 . . . . . 75 ALA C . 28102 1 683 . 1 . 1 75 75 ALA CA C 13 49.364 0.3 . 1 . . . . . 75 ALA CA . 28102 1 684 . 1 . 1 75 75 ALA CB C 13 18.599 0.3 . 1 . . . . . 75 ALA CB . 28102 1 685 . 1 . 1 75 75 ALA N N 15 132.121 0.2 . 1 . . . . . 75 ALA N . 28102 1 686 . 1 . 1 76 76 PHE H H 1 8.757 0.02 . 1 . . . . . 76 PHE H . 28102 1 687 . 1 . 1 76 76 PHE HA H 1 4.195 0.02 . 1 . . . . . 76 PHE HA . 28102 1 688 . 1 . 1 76 76 PHE HB2 H 1 2.4 0.02 . 2 . . . . . 76 PHE HB2 . 28102 1 689 . 1 . 1 76 76 PHE HB3 H 1 3.145 0.02 . 2 . . . . . 76 PHE HB3 . 28102 1 690 . 1 . 1 76 76 PHE C C 13 175.162 0.3 . 1 . . . . . 76 PHE C . 28102 1 691 . 1 . 1 76 76 PHE CA C 13 60.351 0.3 . 1 . . . . . 76 PHE CA . 28102 1 692 . 1 . 1 76 76 PHE CB C 13 39.283 0.3 . 1 . . . . . 76 PHE CB . 28102 1 693 . 1 . 1 76 76 PHE N N 15 121.799 0.2 . 1 . . . . . 76 PHE N . 28102 1 694 . 1 . 1 77 77 ARG H H 1 6.993 0.02 . 1 . . . . . 77 ARG H . 28102 1 695 . 1 . 1 77 77 ARG HA H 1 4.495 0.02 . 1 . . . . . 77 ARG HA . 28102 1 696 . 1 . 1 77 77 ARG HB2 H 1 1.786 0.02 . 2 . . . . . 77 ARG QB . 28102 1 697 . 1 . 1 77 77 ARG HB3 H 1 1.786 0.02 . 2 . . . . . 77 ARG QB . 28102 1 698 . 1 . 1 77 77 ARG HG2 H 1 1.249 0.02 . 2 . . . . . 77 ARG HG2 . 28102 1 699 . 1 . 1 77 77 ARG HG3 H 1 1.444 0.02 . 2 . . . . . 77 ARG HG3 . 28102 1 700 . 1 . 1 77 77 ARG HD2 H 1 2.999 0.02 . 2 . . . . . 77 ARG QD . 28102 1 701 . 1 . 1 77 77 ARG HD3 H 1 2.999 0.02 . 2 . . . . . 77 ARG QD . 28102 1 702 . 1 . 1 77 77 ARG C C 13 176.88 0.3 . 1 . . . . . 77 ARG C . 28102 1 703 . 1 . 1 77 77 ARG CA C 13 54.219 0.3 . 1 . . . . . 77 ARG CA . 28102 1 704 . 1 . 1 77 77 ARG CB C 13 33.863 0.3 . 1 . . . . . 77 ARG CB . 28102 1 705 . 1 . 1 77 77 ARG CG C 13 26.608 0.3 . 1 . . . . . 77 ARG CG . 28102 1 706 . 1 . 1 77 77 ARG CD C 13 43.401 0.3 . 1 . . . . . 77 ARG CD . 28102 1 707 . 1 . 1 77 77 ARG N N 15 111.767 0.2 . 1 . . . . . 77 ARG N . 28102 1 708 . 1 . 1 78 78 ASP H H 1 8.865 0.02 . 1 . . . . . 78 ASP H . 28102 1 709 . 1 . 1 78 78 ASP HA H 1 4.243 0.02 . 1 . . . . . 78 ASP HA . 28102 1 710 . 1 . 1 78 78 ASP HB3 H 1 2.501 0.02 . 2 . . . . . 78 ASP HB3 . 28102 1 711 . 1 . 1 78 78 ASP C C 13 178.159 0.3 . 1 . . . . . 78 ASP C . 28102 1 712 . 1 . 1 78 78 ASP CA C 13 57.766 0.3 . 1 . . . . . 78 ASP CA . 28102 1 713 . 1 . 1 78 78 ASP CB C 13 40.237 0.3 . 1 . . . . . 78 ASP CB . 28102 1 714 . 1 . 1 78 78 ASP N N 15 122.767 0.2 . 1 . . . . . 78 ASP N . 28102 1 715 . 1 . 1 79 79 ASP H H 1 8.427 0.02 . 1 . . . . . 79 ASP H . 28102 1 716 . 1 . 1 79 79 ASP HA H 1 4.015 0.02 . 1 . . . . . 79 ASP HA . 28102 1 717 . 1 . 1 79 79 ASP HB2 H 1 2.133 0.02 . 2 . . . . . 79 ASP HB2 . 28102 1 718 . 1 . 1 79 79 ASP HB3 H 1 1.271 0.02 . 2 . . . . . 79 ASP HB3 . 28102 1 719 . 1 . 1 79 79 ASP C C 13 175.655 0.3 . 1 . . . . . 79 ASP C . 28102 1 720 . 1 . 1 79 79 ASP CA C 13 55.712 0.3 . 1 . . . . . 79 ASP CA . 28102 1 721 . 1 . 1 79 79 ASP CB C 13 39.679 0.3 . 1 . . . . . 79 ASP CB . 28102 1 722 . 1 . 1 79 79 ASP N N 15 115.634 0.2 . 1 . . . . . 79 ASP N . 28102 1 723 . 1 . 1 80 80 PHE H H 1 7.297 0.02 . 1 . . . . . 80 PHE H . 28102 1 724 . 1 . 1 80 80 PHE HA H 1 4.829 0.02 . 1 . . . . . 80 PHE HA . 28102 1 725 . 1 . 1 80 80 PHE HB2 H 1 3.731 0.02 . 2 . . . . . 80 PHE HB2 . 28102 1 726 . 1 . 1 80 80 PHE HB3 H 1 2.38 0.02 . 2 . . . . . 80 PHE HB3 . 28102 1 727 . 1 . 1 80 80 PHE C C 13 176.587 0.3 . 1 . . . . . 80 PHE C . 28102 1 728 . 1 . 1 80 80 PHE CA C 13 55.468 0.3 . 1 . . . . . 80 PHE CA . 28102 1 729 . 1 . 1 80 80 PHE CB C 13 39.112 0.3 . 1 . . . . . 80 PHE CB . 28102 1 730 . 1 . 1 80 80 PHE N N 15 111.735 0.2 . 1 . . . . . 80 PHE N . 28102 1 731 . 1 . 1 81 81 VAL H H 1 7.62 0.02 . 1 . . . . . 81 VAL H . 28102 1 732 . 1 . 1 81 81 VAL HA H 1 3.655 0.02 . 1 . . . . . 81 VAL HA . 28102 1 733 . 1 . 1 81 81 VAL HB H 1 2.279 0.02 . 1 . . . . . 81 VAL HB . 28102 1 734 . 1 . 1 81 81 VAL HG11 H 1 1.061 0.02 . 2 . . . . . 81 VAL QG1 . 28102 1 735 . 1 . 1 81 81 VAL HG12 H 1 1.061 0.02 . 2 . . . . . 81 VAL QG1 . 28102 1 736 . 1 . 1 81 81 VAL HG13 H 1 1.061 0.02 . 2 . . . . . 81 VAL QG1 . 28102 1 737 . 1 . 1 81 81 VAL HG21 H 1 0.937 0.02 . 2 . . . . . 81 VAL QG2 . 28102 1 738 . 1 . 1 81 81 VAL HG22 H 1 0.937 0.02 . 2 . . . . . 81 VAL QG2 . 28102 1 739 . 1 . 1 81 81 VAL HG23 H 1 0.937 0.02 . 2 . . . . . 81 VAL QG2 . 28102 1 740 . 1 . 1 81 81 VAL C C 13 175.655 0.3 . 1 . . . . . 81 VAL C . 28102 1 741 . 1 . 1 81 81 VAL CA C 13 68.915 0.3 . 1 . . . . . 81 VAL CA . 28102 1 742 . 1 . 1 81 81 VAL CB C 13 29.652 0.3 . 1 . . . . . 81 VAL CB . 28102 1 743 . 1 . 1 81 81 VAL CG1 C 13 24.312 0.3 . 2 . . . . . 81 VAL CG1 . 28102 1 744 . 1 . 1 81 81 VAL CG2 C 13 21.737 0.3 . 2 . . . . . 81 VAL CG2 . 28102 1 745 . 1 . 1 81 81 VAL N N 15 124.462 0.2 . 1 . . . . . 81 VAL N . 28102 1 746 . 1 . 1 82 82 PRO HA H 1 4.585 0.02 . 1 . . . . . 82 PRO HA . 28102 1 747 . 1 . 1 82 82 PRO HB2 H 1 2.65 0.02 . 2 . . . . . 82 PRO HB2 . 28102 1 748 . 1 . 1 82 82 PRO C C 13 179.581 0.3 . 1 . . . . . 82 PRO C . 28102 1 749 . 1 . 1 82 82 PRO CA C 13 67.022 0.3 . 1 . . . . . 82 PRO CA . 28102 1 750 . 1 . 1 82 82 PRO CB C 13 32.489 0.3 . 1 . . . . . 82 PRO CB . 28102 1 751 . 1 . 1 82 82 PRO CG C 13 28.366 0.3 . 1 . . . . . 82 PRO CG . 28102 1 752 . 1 . 1 83 83 HIS H H 1 8.18 0.02 . 1 . . . . . 83 HIS H . 28102 1 753 . 1 . 1 83 83 HIS HA H 1 4.918 0.02 . 1 . . . . . 83 HIS HA . 28102 1 754 . 1 . 1 83 83 HIS HB3 H 1 4.226 0.02 . 2 . . . . . 83 HIS HB3 . 28102 1 755 . 1 . 1 83 83 HIS C C 13 178.214 0.3 . 1 . . . . . 83 HIS C . 28102 1 756 . 1 . 1 83 83 HIS CA C 13 58.509 0.3 . 1 . . . . . 83 HIS CA . 28102 1 757 . 1 . 1 83 83 HIS CB C 13 32.35 0.3 . 1 . . . . . 83 HIS CB . 28102 1 758 . 1 . 1 83 83 HIS N N 15 118.067 0.2 . 1 . . . . . 83 HIS N . 28102 1 759 . 1 . 1 84 84 SER H H 1 7.942 0.02 . 1 . . . . . 84 SER H . 28102 1 760 . 1 . 1 84 84 SER HA H 1 4.233 0.02 . 1 . . . . . 84 SER HA . 28102 1 761 . 1 . 1 84 84 SER C C 13 175.631 0.3 . 1 . . . . . 84 SER C . 28102 1 762 . 1 . 1 84 84 SER CA C 13 62.086 0.3 . 1 . . . . . 84 SER CA . 28102 1 763 . 1 . 1 84 84 SER CB C 13 62.684 0.3 . 1 . . . . . 84 SER CB . 28102 1 764 . 1 . 1 84 84 SER N N 15 118.902 0.2 . 1 . . . . . 84 SER N . 28102 1 765 . 1 . 1 85 85 LYS H H 1 8.262 0.02 . 1 . . . . . 85 LYS H . 28102 1 766 . 1 . 1 85 85 LYS HA H 1 3.649 0.02 . 1 . . . . . 85 LYS HA . 28102 1 767 . 1 . 1 85 85 LYS HB2 H 1 1.695 0.02 . 2 . . . . . 85 LYS QB . 28102 1 768 . 1 . 1 85 85 LYS HB3 H 1 1.695 0.02 . 2 . . . . . 85 LYS QB . 28102 1 769 . 1 . 1 85 85 LYS HG2 H 1 0.869 0.02 . 2 . . . . . 85 LYS QG . 28102 1 770 . 1 . 1 85 85 LYS HG3 H 1 0.869 0.02 . 2 . . . . . 85 LYS QG . 28102 1 771 . 1 . 1 85 85 LYS C C 13 177.519 0.3 . 1 . . . . . 85 LYS C . 28102 1 772 . 1 . 1 85 85 LYS CA C 13 61.215 0.3 . 1 . . . . . 85 LYS CA . 28102 1 773 . 1 . 1 85 85 LYS CB C 13 32.815 0.3 . 1 . . . . . 85 LYS CB . 28102 1 774 . 1 . 1 85 85 LYS CD C 13 28.428 0.3 . 1 . . . . . 85 LYS CD . 28102 1 775 . 1 . 1 85 85 LYS CE C 13 42.487 0.3 . 1 . . . . . 85 LYS CE . 28102 1 776 . 1 . 1 85 85 LYS N N 15 121.772 0.2 . 1 . . . . . 85 LYS N . 28102 1 777 . 1 . 1 86 86 LEU H H 1 8.408 0.02 . 1 . . . . . 86 LEU H . 28102 1 778 . 1 . 1 86 86 LEU HA H 1 4.278 0.02 . 1 . . . . . 86 LEU HA . 28102 1 779 . 1 . 1 86 86 LEU HB2 H 1 2.505 0.02 . 2 . . . . . 86 LEU HB2 . 28102 1 780 . 1 . 1 86 86 LEU HB3 H 1 1.403 0.02 . 2 . . . . . 86 LEU HB3 . 28102 1 781 . 1 . 1 86 86 LEU HD11 H 1 0.959 0.02 . 2 . . . . . 86 LEU QD1 . 28102 1 782 . 1 . 1 86 86 LEU HD12 H 1 0.959 0.02 . 2 . . . . . 86 LEU QD1 . 28102 1 783 . 1 . 1 86 86 LEU HD13 H 1 0.959 0.02 . 2 . . . . . 86 LEU QD1 . 28102 1 784 . 1 . 1 86 86 LEU C C 13 177.063 0.3 . 1 . . . . . 86 LEU C . 28102 1 785 . 1 . 1 86 86 LEU CA C 13 59.541 0.3 . 1 . . . . . 86 LEU CA . 28102 1 786 . 1 . 1 86 86 LEU CB C 13 40.237 0.3 . 1 . . . . . 86 LEU CB . 28102 1 787 . 1 . 1 86 86 LEU CD1 C 13 23.51 0.3 . 2 . . . . . 86 LEU CD1 . 28102 1 788 . 1 . 1 86 86 LEU CD2 C 13 26.518 0.3 . 2 . . . . . 86 LEU CD2 . 28102 1 789 . 1 . 1 86 86 LEU N N 15 119.828 0.2 . 1 . . . . . 86 LEU N . 28102 1 790 . 1 . 1 87 87 PHE H H 1 7.619 0.02 . 1 . . . . . 87 PHE H . 28102 1 791 . 1 . 1 87 87 PHE HA H 1 4.343 0.02 . 1 . . . . . 87 PHE HA . 28102 1 792 . 1 . 1 87 87 PHE HB2 H 1 3.175 0.02 . 2 . . . . . 87 PHE HB2 . 28102 1 793 . 1 . 1 87 87 PHE HB3 H 1 3.054 0.02 . 2 . . . . . 87 PHE HB3 . 28102 1 794 . 1 . 1 87 87 PHE C C 13 178.433 0.3 . 1 . . . . . 87 PHE C . 28102 1 795 . 1 . 1 87 87 PHE CA C 13 62.463 0.3 . 1 . . . . . 87 PHE CA . 28102 1 796 . 1 . 1 87 87 PHE CB C 13 38.684 0.3 . 1 . . . . . 87 PHE CB . 28102 1 797 . 1 . 1 87 87 PHE N N 15 116.887 0.2 . 1 . . . . . 87 PHE N . 28102 1 798 . 1 . 1 88 88 TYR H H 1 7.903 0.02 . 1 . . . . . 88 TYR H . 28102 1 799 . 1 . 1 88 88 TYR HA H 1 4.213 0.02 . 1 . . . . . 88 TYR HA . 28102 1 800 . 1 . 1 88 88 TYR HB2 H 1 3.266 0.02 . 2 . . . . . 88 TYR HB2 . 28102 1 801 . 1 . 1 88 88 TYR HB3 H 1 2.692 0.02 . 2 . . . . . 88 TYR HB3 . 28102 1 802 . 1 . 1 88 88 TYR C C 13 178.617 0.3 . 1 . . . . . 88 TYR C . 28102 1 803 . 1 . 1 88 88 TYR CA C 13 63.214 0.3 . 1 . . . . . 88 TYR CA . 28102 1 804 . 1 . 1 88 88 TYR CB C 13 38.747 0.3 . 1 . . . . . 88 TYR CB . 28102 1 805 . 1 . 1 88 88 TYR N N 15 116.77 0.2 . 1 . . . . . 88 TYR N . 28102 1 806 . 1 . 1 89 89 ALA H H 1 9.481 0.02 . 1 . . . . . 89 ALA H . 28102 1 807 . 1 . 1 89 89 ALA HA H 1 3.931 0.02 . 1 . . . . . 89 ALA HA . 28102 1 808 . 1 . 1 89 89 ALA HB1 H 1 1.43 0.02 . 1 . . . . . 89 ALA HB# . 28102 1 809 . 1 . 1 89 89 ALA HB2 H 1 1.43 0.02 . 1 . . . . . 89 ALA HB# . 28102 1 810 . 1 . 1 89 89 ALA HB3 H 1 1.43 0.02 . 1 . . . . . 89 ALA HB# . 28102 1 811 . 1 . 1 89 89 ALA C C 13 179.018 0.3 . 1 . . . . . 89 ALA C . 28102 1 812 . 1 . 1 89 89 ALA CA C 13 55.994 0.3 . 1 . . . . . 89 ALA CA . 28102 1 813 . 1 . 1 89 89 ALA CB C 13 18.395 0.3 . 1 . . . . . 89 ALA CB . 28102 1 814 . 1 . 1 89 89 ALA N N 15 127.463 0.2 . 1 . . . . . 89 ALA N . 28102 1 815 . 1 . 1 90 90 LEU H H 1 8.584 0.02 . 1 . . . . . 90 LEU H . 28102 1 816 . 1 . 1 90 90 LEU HA H 1 3.864 0.02 . 1 . . . . . 90 LEU HA . 28102 1 817 . 1 . 1 90 90 LEU HB2 H 1 1.25 0.02 . 2 . . . . . 90 LEU HB2 . 28102 1 818 . 1 . 1 90 90 LEU HB3 H 1 1.822 0.02 . 2 . . . . . 90 LEU HB3 . 28102 1 819 . 1 . 1 90 90 LEU HD11 H 1 0.651 0.02 . 2 . . . . . 90 LEU QD1 . 28102 1 820 . 1 . 1 90 90 LEU HD12 H 1 0.651 0.02 . 2 . . . . . 90 LEU QD1 . 28102 1 821 . 1 . 1 90 90 LEU HD13 H 1 0.651 0.02 . 2 . . . . . 90 LEU QD1 . 28102 1 822 . 1 . 1 90 90 LEU HD21 H 1 0.692 0.02 . 2 . . . . . 90 LEU QD2 . 28102 1 823 . 1 . 1 90 90 LEU HD22 H 1 0.692 0.02 . 2 . . . . . 90 LEU QD2 . 28102 1 824 . 1 . 1 90 90 LEU HD23 H 1 0.692 0.02 . 2 . . . . . 90 LEU QD2 . 28102 1 825 . 1 . 1 90 90 LEU C C 13 179.567 0.3 . 1 . . . . . 90 LEU C . 28102 1 826 . 1 . 1 90 90 LEU CA C 13 58.187 0.3 . 1 . . . . . 90 LEU CA . 28102 1 827 . 1 . 1 90 90 LEU CB C 13 41.128 0.3 . 1 . . . . . 90 LEU CB . 28102 1 828 . 1 . 1 90 90 LEU CD1 C 13 22.623 0.3 . 2 . . . . . 90 LEU CD1 . 28102 1 829 . 1 . 1 90 90 LEU CD2 C 13 25.471 0.3 . 2 . . . . . 90 LEU CD2 . 28102 1 830 . 1 . 1 90 90 LEU N N 15 115.654 0.2 . 1 . . . . . 90 LEU N . 28102 1 831 . 1 . 1 91 91 ALA H H 1 7.285 0.02 . 1 . . . . . 91 ALA H . 28102 1 832 . 1 . 1 91 91 ALA HA H 1 4.113 0.02 . 1 . . . . . 91 ALA HA . 28102 1 833 . 1 . 1 91 91 ALA HB1 H 1 1.283 0.02 . 1 . . . . . 91 ALA HB# . 28102 1 834 . 1 . 1 91 91 ALA HB2 H 1 1.283 0.02 . 1 . . . . . 91 ALA HB# . 28102 1 835 . 1 . 1 91 91 ALA HB3 H 1 1.283 0.02 . 1 . . . . . 91 ALA HB# . 28102 1 836 . 1 . 1 91 91 ALA C C 13 180.918 0.3 . 1 . . . . . 91 ALA C . 28102 1 837 . 1 . 1 91 91 ALA CA C 13 54.87 0.3 . 1 . . . . . 91 ALA CA . 28102 1 838 . 1 . 1 91 91 ALA CB C 13 17.728 0.3 . 1 . . . . . 91 ALA CB . 28102 1 839 . 1 . 1 91 91 ALA N N 15 120.141 0.2 . 1 . . . . . 91 ALA N . 28102 1 840 . 1 . 1 92 92 ALA H H 1 8.074 0.02 . 1 . . . . . 92 ALA H . 28102 1 841 . 1 . 1 92 92 ALA HA H 1 4.057 0.02 . 1 . . . . . 92 ALA HA . 28102 1 842 . 1 . 1 92 92 ALA HB1 H 1 1.501 0.02 . 1 . . . . . 92 ALA HB# . 28102 1 843 . 1 . 1 92 92 ALA HB2 H 1 1.501 0.02 . 1 . . . . . 92 ALA HB# . 28102 1 844 . 1 . 1 92 92 ALA HB3 H 1 1.501 0.02 . 1 . . . . . 92 ALA HB# . 28102 1 845 . 1 . 1 92 92 ALA C C 13 179.895 0.3 . 1 . . . . . 92 ALA C . 28102 1 846 . 1 . 1 92 92 ALA CA C 13 55.185 0.3 . 1 . . . . . 92 ALA CA . 28102 1 847 . 1 . 1 92 92 ALA CB C 13 17.903 0.3 . 1 . . . . . 92 ALA CB . 28102 1 848 . 1 . 1 92 92 ALA N N 15 123.147 0.2 . 1 . . . . . 92 ALA N . 28102 1 849 . 1 . 1 93 93 LEU H H 1 7.623 0.02 . 1 . . . . . 93 LEU H . 28102 1 850 . 1 . 1 93 93 LEU HA H 1 4.216 0.02 . 1 . . . . . 93 LEU HA . 28102 1 851 . 1 . 1 93 93 LEU HB2 H 1 1.839 0.02 . 2 . . . . . 93 LEU HB2 . 28102 1 852 . 1 . 1 93 93 LEU HB3 H 1 1.674 0.02 . 2 . . . . . 93 LEU HB3 . 28102 1 853 . 1 . 1 93 93 LEU HD11 H 1 0.816 0.02 . 2 . . . . . 93 LEU QD1 . 28102 1 854 . 1 . 1 93 93 LEU HD12 H 1 0.816 0.02 . 2 . . . . . 93 LEU QD1 . 28102 1 855 . 1 . 1 93 93 LEU HD13 H 1 0.816 0.02 . 2 . . . . . 93 LEU QD1 . 28102 1 856 . 1 . 1 93 93 LEU HD21 H 1 0.877 0.02 . 2 . . . . . 93 LEU QD2 . 28102 1 857 . 1 . 1 93 93 LEU HD22 H 1 0.877 0.02 . 2 . . . . . 93 LEU QD2 . 28102 1 858 . 1 . 1 93 93 LEU HD23 H 1 0.877 0.02 . 2 . . . . . 93 LEU QD2 . 28102 1 859 . 1 . 1 93 93 LEU C C 13 177.538 0.3 . 1 . . . . . 93 LEU C . 28102 1 860 . 1 . 1 93 93 LEU CA C 13 55.641 0.3 . 1 . . . . . 93 LEU CA . 28102 1 861 . 1 . 1 93 93 LEU CB C 13 43.63 0.3 . 1 . . . . . 93 LEU CB . 28102 1 862 . 1 . 1 93 93 LEU CD1 C 13 22.99 0.3 . 2 . . . . . 93 LEU CD1 . 28102 1 863 . 1 . 1 93 93 LEU CD2 C 13 25.779 0.3 . 2 . . . . . 93 LEU CD2 . 28102 1 864 . 1 . 1 93 93 LEU N N 15 115.655 0.2 . 1 . . . . . 93 LEU N . 28102 1 865 . 1 . 1 94 94 GLY H H 1 7.798 0.02 . 1 . . . . . 94 GLY H . 28102 1 866 . 1 . 1 94 94 GLY HA2 H 1 4.021 0.02 . 2 . . . . . 94 GLY HA2 . 28102 1 867 . 1 . 1 94 94 GLY HA3 H 1 4.08 0.02 . 2 . . . . . 94 GLY HA3 . 28102 1 868 . 1 . 1 94 94 GLY C C 13 175.875 0.3 . 1 . . . . . 94 GLY C . 28102 1 869 . 1 . 1 94 94 GLY CA C 13 46.62 0.3 . 1 . . . . . 94 GLY CA . 28102 1 870 . 1 . 1 94 94 GLY N N 15 107.661 0.2 . 1 . . . . . 94 GLY N . 28102 1 871 . 1 . 1 95 95 VAL H H 1 7.374 0.02 . 1 . . . . . 95 VAL H . 28102 1 872 . 1 . 1 95 95 VAL HA H 1 4.867 0.02 . 1 . . . . . 95 VAL HA . 28102 1 873 . 1 . 1 95 95 VAL HB H 1 2.511 0.02 . 1 . . . . . 95 VAL HB . 28102 1 874 . 1 . 1 95 95 VAL HG11 H 1 0.811 0.02 . 2 . . . . . 95 VAL QG1 . 28102 1 875 . 1 . 1 95 95 VAL HG12 H 1 0.811 0.02 . 2 . . . . . 95 VAL QG1 . 28102 1 876 . 1 . 1 95 95 VAL HG13 H 1 0.811 0.02 . 2 . . . . . 95 VAL QG1 . 28102 1 877 . 1 . 1 95 95 VAL HG21 H 1 0.746 0.02 . 2 . . . . . 95 VAL QG2 . 28102 1 878 . 1 . 1 95 95 VAL HG22 H 1 0.746 0.02 . 2 . . . . . 95 VAL QG2 . 28102 1 879 . 1 . 1 95 95 VAL HG23 H 1 0.746 0.02 . 2 . . . . . 95 VAL QG2 . 28102 1 880 . 1 . 1 95 95 VAL C C 13 176.114 0.3 . 1 . . . . . 95 VAL C . 28102 1 881 . 1 . 1 95 95 VAL CA C 13 60.428 0.3 . 1 . . . . . 95 VAL CA . 28102 1 882 . 1 . 1 95 95 VAL CB C 13 32.321 0.3 . 1 . . . . . 95 VAL CB . 28102 1 883 . 1 . 1 95 95 VAL CG1 C 13 20.689 0.3 . 2 . . . . . 95 VAL CG1 . 28102 1 884 . 1 . 1 95 95 VAL CG2 C 13 19.631 0.3 . 2 . . . . . 95 VAL CG2 . 28102 1 885 . 1 . 1 95 95 VAL N N 15 107.474 0.2 . 1 . . . . . 95 VAL N . 28102 1 886 . 1 . 1 96 96 SER H H 1 7.796 0.02 . 1 . . . . . 96 SER H . 28102 1 887 . 1 . 1 96 96 SER C C 13 175.114 0.3 . 1 . . . . . 96 SER C . 28102 1 888 . 1 . 1 96 96 SER CA C 13 63.482 0.3 . 1 . . . . . 96 SER CA . 28102 1 889 . 1 . 1 96 96 SER CB C 13 62.222 0.3 . 1 . . . . . 96 SER CB . 28102 1 890 . 1 . 1 96 96 SER N N 15 117.312 0.2 . 1 . . . . . 96 SER N . 28102 1 891 . 1 . 1 97 97 GLU HA H 1 4.011 0.02 . 1 . . . . . 97 GLU HA . 28102 1 892 . 1 . 1 97 97 GLU HB2 H 1 1.898 0.02 . 2 . . . . . 97 GLU HB2 . 28102 1 893 . 1 . 1 97 97 GLU HB3 H 1 1.95 0.02 . 2 . . . . . 97 GLU HB3 . 28102 1 894 . 1 . 1 97 97 GLU C C 13 177.83 0.3 . 1 . . . . . 97 GLU C . 28102 1 895 . 1 . 1 97 97 GLU CA C 13 60.107 0.3 . 1 . . . . . 97 GLU CA . 28102 1 896 . 1 . 1 97 97 GLU CB C 13 28.737 0.3 . 1 . . . . . 97 GLU CB . 28102 1 897 . 1 . 1 97 97 GLU CG C 13 36.57 0.3 . 1 . . . . . 97 GLU CG . 28102 1 898 . 1 . 1 98 98 LYS H H 1 7.536 0.02 . 1 . . . . . 98 LYS H . 28102 1 899 . 1 . 1 98 98 LYS HA H 1 4.102 0.02 . 1 . . . . . 98 LYS HA . 28102 1 900 . 1 . 1 98 98 LYS HB3 H 1 1.806 0.02 . 2 . . . . . 98 LYS HB3 . 28102 1 901 . 1 . 1 98 98 LYS HG3 H 1 1.393 0.02 . 2 . . . . . 98 LYS HG3 . 28102 1 902 . 1 . 1 98 98 LYS C C 13 178.378 0.3 . 1 . . . . . 98 LYS C . 28102 1 903 . 1 . 1 98 98 LYS CA C 13 58.858 0.3 . 1 . . . . . 98 LYS CA . 28102 1 904 . 1 . 1 98 98 LYS CB C 13 33.227 0.3 . 1 . . . . . 98 LYS CB . 28102 1 905 . 1 . 1 98 98 LYS CG C 13 24.882 0.3 . 1 . . . . . 98 LYS CG . 28102 1 906 . 1 . 1 98 98 LYS CD C 13 29.112 0.3 . 1 . . . . . 98 LYS CD . 28102 1 907 . 1 . 1 98 98 LYS N N 15 116.894 0.2 . 1 . . . . . 98 LYS N . 28102 1 908 . 1 . 1 99 99 VAL H H 1 7.671 0.02 . 1 . . . . . 99 VAL H . 28102 1 909 . 1 . 1 99 99 VAL HA H 1 4.377 0.02 . 1 . . . . . 99 VAL HA . 28102 1 910 . 1 . 1 99 99 VAL HB H 1 1.984 0.02 . 1 . . . . . 99 VAL HB . 28102 1 911 . 1 . 1 99 99 VAL HG11 H 1 0.846 0.02 . 2 . . . . . 99 VAL QG1 . 28102 1 912 . 1 . 1 99 99 VAL HG12 H 1 0.846 0.02 . 2 . . . . . 99 VAL QG1 . 28102 1 913 . 1 . 1 99 99 VAL HG13 H 1 0.846 0.02 . 2 . . . . . 99 VAL QG1 . 28102 1 914 . 1 . 1 99 99 VAL HG21 H 1 0.814 0.02 . 2 . . . . . 99 VAL QG2 . 28102 1 915 . 1 . 1 99 99 VAL HG22 H 1 0.814 0.02 . 2 . . . . . 99 VAL QG2 . 28102 1 916 . 1 . 1 99 99 VAL HG23 H 1 0.814 0.02 . 2 . . . . . 99 VAL QG2 . 28102 1 917 . 1 . 1 99 99 VAL C C 13 176.204 0.3 . 1 . . . . . 99 VAL C . 28102 1 918 . 1 . 1 99 99 VAL CA C 13 62.904 0.3 . 1 . . . . . 99 VAL CA . 28102 1 919 . 1 . 1 99 99 VAL CB C 13 33.023 0.3 . 1 . . . . . 99 VAL CB . 28102 1 920 . 1 . 1 99 99 VAL CG1 C 13 22.413 0.3 . 2 . . . . . 99 VAL CG1 . 28102 1 921 . 1 . 1 99 99 VAL CG2 C 13 22.317 0.3 . 2 . . . . . 99 VAL CG2 . 28102 1 922 . 1 . 1 99 99 VAL N N 15 110.655 0.2 . 1 . . . . . 99 VAL N . 28102 1 923 . 1 . 1 100 100 THR H H 1 7.8 0.02 . 1 . . . . . 100 THR H . 28102 1 924 . 1 . 1 100 100 THR HA H 1 3.984 0.02 . 1 . . . . . 100 THR HA . 28102 1 925 . 1 . 1 100 100 THR HB H 1 3.838 0.02 . 1 . . . . . 100 THR HB . 28102 1 926 . 1 . 1 100 100 THR HG21 H 1 1.482 0.02 . 1 . . . . . 100 THR QG2 . 28102 1 927 . 1 . 1 100 100 THR HG22 H 1 1.482 0.02 . 1 . . . . . 100 THR QG2 . 28102 1 928 . 1 . 1 100 100 THR HG23 H 1 1.482 0.02 . 1 . . . . . 100 THR QG2 . 28102 1 929 . 1 . 1 100 100 THR C C 13 178.918 0.3 . 1 . . . . . 100 THR C . 28102 1 930 . 1 . 1 100 100 THR CA C 13 67.285 0.3 . 1 . . . . . 100 THR CA . 28102 1 931 . 1 . 1 100 100 THR CB C 13 71.535 0.3 . 1 . . . . . 100 THR CB . 28102 1 932 . 1 . 1 100 100 THR CG2 C 13 22.661 0.3 . 1 . . . . . 100 THR CG2 . 28102 1 933 . 1 . 1 100 100 THR N N 15 119.065 0.2 . 1 . . . . . 100 THR N . 28102 1 934 . 1 . 1 101 101 PRO HA H 1 4.444 0.02 . 1 . . . . . 101 PRO HA . 28102 1 935 . 1 . 1 101 101 PRO HB3 H 1 1.742 0.02 . 2 . . . . . 101 PRO HB3 . 28102 1 936 . 1 . 1 101 101 PRO HG2 H 1 1.883 0.02 . 2 . . . . . 101 PRO HG2 . 28102 1 937 . 1 . 1 101 101 PRO HD2 H 1 3.518 0.02 . 2 . . . . . 101 PRO HD2 . 28102 1 938 . 1 . 1 101 101 PRO C C 13 178.886 0.3 . 1 . . . . . 101 PRO C . 28102 1 939 . 1 . 1 101 101 PRO CA C 13 67.252 0.3 . 1 . . . . . 101 PRO CA . 28102 1 940 . 1 . 1 101 101 PRO CB C 13 30.602 0.3 . 1 . . . . . 101 PRO CB . 28102 1 941 . 1 . 1 101 101 PRO CG C 13 28.552 0.3 . 1 . . . . . 101 PRO CG . 28102 1 942 . 1 . 1 101 101 PRO CD C 13 49.946 0.3 . 1 . . . . . 101 PRO CD . 28102 1 943 . 1 . 1 102 102 ALA H H 1 7.358 0.02 . 1 . . . . . 102 ALA H . 28102 1 944 . 1 . 1 102 102 ALA HA H 1 3.939 0.02 . 1 . . . . . 102 ALA HA . 28102 1 945 . 1 . 1 102 102 ALA HB1 H 1 1.402 0.02 . 1 . . . . . 102 ALA HB# . 28102 1 946 . 1 . 1 102 102 ALA HB2 H 1 1.402 0.02 . 1 . . . . . 102 ALA HB# . 28102 1 947 . 1 . 1 102 102 ALA HB3 H 1 1.402 0.02 . 1 . . . . . 102 ALA HB# . 28102 1 948 . 1 . 1 102 102 ALA C C 13 180.334 0.3 . 1 . . . . . 102 ALA C . 28102 1 949 . 1 . 1 102 102 ALA CA C 13 55.163 0.3 . 1 . . . . . 102 ALA CA . 28102 1 950 . 1 . 1 102 102 ALA CB C 13 18.232 0.3 . 1 . . . . . 102 ALA CB . 28102 1 951 . 1 . 1 102 102 ALA N N 15 119.807 0.2 . 1 . . . . . 102 ALA N . 28102 1 952 . 1 . 1 103 103 VAL H H 1 7.981 0.02 . 1 . . . . . 103 VAL H . 28102 1 953 . 1 . 1 103 103 VAL HA H 1 3.02 0.02 . 1 . . . . . 103 VAL HA . 28102 1 954 . 1 . 1 103 103 VAL HB H 1 1.93 0.02 . 1 . . . . . 103 VAL HB . 28102 1 955 . 1 . 1 103 103 VAL HG11 H 1 -0.431 0.02 . 2 . . . . . 103 VAL QG1 . 28102 1 956 . 1 . 1 103 103 VAL HG12 H 1 -0.431 0.02 . 2 . . . . . 103 VAL QG1 . 28102 1 957 . 1 . 1 103 103 VAL HG13 H 1 -0.431 0.02 . 2 . . . . . 103 VAL QG1 . 28102 1 958 . 1 . 1 103 103 VAL HG21 H 1 0.662 0.02 . 2 . . . . . 103 VAL QG2 . 28102 1 959 . 1 . 1 103 103 VAL HG22 H 1 0.662 0.02 . 2 . . . . . 103 VAL QG2 . 28102 1 960 . 1 . 1 103 103 VAL HG23 H 1 0.662 0.02 . 2 . . . . . 103 VAL QG2 . 28102 1 961 . 1 . 1 103 103 VAL C C 13 176.99 0.3 . 1 . . . . . 103 VAL C . 28102 1 962 . 1 . 1 103 103 VAL CA C 13 66.832 0.3 . 1 . . . . . 103 VAL CA . 28102 1 963 . 1 . 1 103 103 VAL CB C 13 31.298 0.3 . 1 . . . . . 103 VAL CB . 28102 1 964 . 1 . 1 103 103 VAL CG1 C 13 19.937 0.3 . 2 . . . . . 103 VAL CG1 . 28102 1 965 . 1 . 1 103 103 VAL CG2 C 13 22.394 0.3 . 2 . . . . . 103 VAL CG2 . 28102 1 966 . 1 . 1 103 103 VAL N N 15 121.96 0.2 . 1 . . . . . 103 VAL N . 28102 1 967 . 1 . 1 104 104 PHE H H 1 7.829 0.02 . 1 . . . . . 104 PHE H . 28102 1 968 . 1 . 1 104 104 PHE HA H 1 3.93 0.02 . 1 . . . . . 104 PHE HA . 28102 1 969 . 1 . 1 104 104 PHE HB2 H 1 2.934 0.02 . 2 . . . . . 104 PHE HB2 . 28102 1 970 . 1 . 1 104 104 PHE HB3 H 1 2.752 0.02 . 2 . . . . . 104 PHE HB3 . 28102 1 971 . 1 . 1 104 104 PHE C C 13 178.342 0.3 . 1 . . . . . 104 PHE C . 28102 1 972 . 1 . 1 104 104 PHE CA C 13 63.456 0.3 . 1 . . . . . 104 PHE CA . 28102 1 973 . 1 . 1 104 104 PHE CB C 13 39.625 0.3 . 1 . . . . . 104 PHE CB . 28102 1 974 . 1 . 1 104 104 PHE N N 15 115.234 0.2 . 1 . . . . . 104 PHE N . 28102 1 975 . 1 . 1 105 105 ASN H H 1 8.137 0.02 . 1 . . . . . 105 ASN H . 28102 1 976 . 1 . 1 105 105 ASN HA H 1 4.172 0.02 . 1 . . . . . 105 ASN HA . 28102 1 977 . 1 . 1 105 105 ASN HB2 H 1 2.843 0.02 . 2 . . . . . 105 ASN HB2 . 28102 1 978 . 1 . 1 105 105 ASN HB3 H 1 2.752 0.02 . 2 . . . . . 105 ASN HB3 . 28102 1 979 . 1 . 1 105 105 ASN C C 13 176.989 0.3 . 1 . . . . . 105 ASN C . 28102 1 980 . 1 . 1 105 105 ASN CA C 13 57.727 0.3 . 1 . . . . . 105 ASN CA . 28102 1 981 . 1 . 1 105 105 ASN CB C 13 39.355 0.3 . 1 . . . . . 105 ASN CB . 28102 1 982 . 1 . 1 105 105 ASN N N 15 115.887 0.2 . 1 . . . . . 105 ASN N . 28102 1 983 . 1 . 1 106 106 ALA H H 1 8.167 0.02 . 1 . . . . . 106 ALA H . 28102 1 984 . 1 . 1 106 106 ALA HA H 1 3.79 0.02 . 1 . . . . . 106 ALA HA . 28102 1 985 . 1 . 1 106 106 ALA HB1 H 1 0.811 0.02 . 1 . . . . . 106 ALA HB# . 28102 1 986 . 1 . 1 106 106 ALA HB2 H 1 0.811 0.02 . 1 . . . . . 106 ALA HB# . 28102 1 987 . 1 . 1 106 106 ALA HB3 H 1 0.811 0.02 . 1 . . . . . 106 ALA HB# . 28102 1 988 . 1 . 1 106 106 ALA C C 13 178.433 0.3 . 1 . . . . . 106 ALA C . 28102 1 989 . 1 . 1 106 106 ALA CA C 13 55.385 0.3 . 1 . . . . . 106 ALA CA . 28102 1 990 . 1 . 1 106 106 ALA CB C 13 17.087 0.3 . 1 . . . . . 106 ALA CB . 28102 1 991 . 1 . 1 106 106 ALA N N 15 124.14 0.2 . 1 . . . . . 106 ALA N . 28102 1 992 . 1 . 1 107 107 ILE H H 1 7.052 0.02 . 1 . . . . . 107 ILE H . 28102 1 993 . 1 . 1 107 107 ILE HA H 1 3.165 0.02 . 1 . . . . . 107 ILE HA . 28102 1 994 . 1 . 1 107 107 ILE HB H 1 0.942 0.02 . 1 . . . . . 107 ILE HB . 28102 1 995 . 1 . 1 107 107 ILE HG12 H 1 0.694 0.02 . 2 . . . . . 107 ILE HG12 . 28102 1 996 . 1 . 1 107 107 ILE HG21 H 1 -0.251 0.02 . 1 . . . . . 107 ILE QG2 . 28102 1 997 . 1 . 1 107 107 ILE HG22 H 1 -0.251 0.02 . 1 . . . . . 107 ILE QG2 . 28102 1 998 . 1 . 1 107 107 ILE HG23 H 1 -0.251 0.02 . 1 . . . . . 107 ILE QG2 . 28102 1 999 . 1 . 1 107 107 ILE HD11 H 1 -0.13 0.02 . 1 . . . . . 107 ILE QD1 . 28102 1 1000 . 1 . 1 107 107 ILE HD12 H 1 -0.13 0.02 . 1 . . . . . 107 ILE QD1 . 28102 1 1001 . 1 . 1 107 107 ILE HD13 H 1 -0.13 0.02 . 1 . . . . . 107 ILE QD1 . 28102 1 1002 . 1 . 1 107 107 ILE C C 13 178.086 0.3 . 1 . . . . . 107 ILE C . 28102 1 1003 . 1 . 1 107 107 ILE CA C 13 64.657 0.3 . 1 . . . . . 107 ILE CA . 28102 1 1004 . 1 . 1 107 107 ILE CB C 13 39.753 0.3 . 1 . . . . . 107 ILE CB . 28102 1 1005 . 1 . 1 107 107 ILE CG1 C 13 27.754 0.3 . 1 . . . . . 107 ILE CG1 . 28102 1 1006 . 1 . 1 107 107 ILE CG2 C 13 16.247 0.3 . 1 . . . . . 107 ILE CG2 . 28102 1 1007 . 1 . 1 107 107 ILE CD1 C 13 14.501 0.3 . 1 . . . . . 107 ILE CD1 . 28102 1 1008 . 1 . 1 107 107 ILE N N 15 115.672 0.2 . 1 . . . . . 107 ILE N . 28102 1 1009 . 1 . 1 108 108 HIS H H 1 7.833 0.02 . 1 . . . . . 108 HIS H . 28102 1 1010 . 1 . 1 108 108 HIS HA H 1 3.951 0.02 . 1 . . . . . 108 HIS HA . 28102 1 1011 . 1 . 1 108 108 HIS HB2 H 1 2.676 0.02 . 2 . . . . . 108 HIS HB2 . 28102 1 1012 . 1 . 1 108 108 HIS HB3 H 1 2.239 0.02 . 2 . . . . . 108 HIS HB3 . 28102 1 1013 . 1 . 1 108 108 HIS C C 13 176.861 0.3 . 1 . . . . . 108 HIS C . 28102 1 1014 . 1 . 1 108 108 HIS CA C 13 59.593 0.3 . 1 . . . . . 108 HIS CA . 28102 1 1015 . 1 . 1 108 108 HIS CB C 13 31.847 0.3 . 1 . . . . . 108 HIS CB . 28102 1 1016 . 1 . 1 108 108 HIS N N 15 114.271 0.2 . 1 . . . . . 108 HIS N . 28102 1 1017 . 1 . 1 109 109 LYS H H 1 8.334 0.02 . 1 . . . . . 109 LYS H . 28102 1 1018 . 1 . 1 109 109 LYS HA H 1 4.545 0.02 . 1 . . . . . 109 LYS HA . 28102 1 1019 . 1 . 1 109 109 LYS HB2 H 1 1.947 0.02 . 2 . . . . . 109 LYS HB2 . 28102 1 1020 . 1 . 1 109 109 LYS HB3 H 1 1.806 0.02 . 2 . . . . . 109 LYS HB3 . 28102 1 1021 . 1 . 1 109 109 LYS HG2 H 1 1.242 0.02 . 2 . . . . . 109 LYS HG2 . 28102 1 1022 . 1 . 1 109 109 LYS HG3 H 1 1.493 0.02 . 2 . . . . . 109 LYS HG3 . 28102 1 1023 . 1 . 1 109 109 LYS C C 13 178.031 0.3 . 1 . . . . . 109 LYS C . 28102 1 1024 . 1 . 1 109 109 LYS CA C 13 57.272 0.3 . 1 . . . . . 109 LYS CA . 28102 1 1025 . 1 . 1 109 109 LYS CB C 13 32.46 0.3 . 1 . . . . . 109 LYS CB . 28102 1 1026 . 1 . 1 109 109 LYS CG C 13 24.758 0.3 . 1 . . . . . 109 LYS CG . 28102 1 1027 . 1 . 1 109 109 LYS CD C 13 28.428 0.3 . 1 . . . . . 109 LYS CD . 28102 1 1028 . 1 . 1 109 109 LYS CE C 13 42.052 0.3 . 1 . . . . . 109 LYS CE . 28102 1 1029 . 1 . 1 109 109 LYS N N 15 117.4 0.2 . 1 . . . . . 109 LYS N . 28102 1 1030 . 1 . 1 110 110 GLU H H 1 7.158 0.02 . 1 . . . . . 110 GLU H . 28102 1 1031 . 1 . 1 110 110 GLU HA H 1 4.263 0.02 . 1 . . . . . 110 GLU HA . 28102 1 1032 . 1 . 1 110 110 GLU HB3 H 1 2.078 0.02 . 2 . . . . . 110 GLU HB3 . 28102 1 1033 . 1 . 1 110 110 GLU C C 13 175.93 0.3 . 1 . . . . . 110 GLU C . 28102 1 1034 . 1 . 1 110 110 GLU CA C 13 56.714 0.3 . 1 . . . . . 110 GLU CA . 28102 1 1035 . 1 . 1 110 110 GLU CB C 13 28.858 0.3 . 1 . . . . . 110 GLU CB . 28102 1 1036 . 1 . 1 110 110 GLU CG C 13 35.955 0.3 . 1 . . . . . 110 GLU CG . 28102 1 1037 . 1 . 1 110 110 GLU N N 15 115.293 0.2 . 1 . . . . . 110 GLU N . 28102 1 1038 . 1 . 1 111 111 LYS H H 1 6.868 0.02 . 1 . . . . . 111 LYS H . 28102 1 1039 . 1 . 1 111 111 LYS HA H 1 3.51 0.02 . 1 . . . . . 111 LYS HA . 28102 1 1040 . 1 . 1 111 111 LYS HB2 H 1 1.665 0.02 . 2 . . . . . 111 LYS HB2 . 28102 1 1041 . 1 . 1 111 111 LYS HB3 H 1 1.876 0.02 . 2 . . . . . 111 LYS HB3 . 28102 1 1042 . 1 . 1 111 111 LYS HG3 H 1 1.141 0.02 . 2 . . . . . 111 LYS HG3 . 28102 1 1043 . 1 . 1 111 111 LYS HD2 H 1 1.483 0.02 . 2 . . . . . 111 LYS HD2 . 28102 1 1044 . 1 . 1 111 111 LYS C C 13 173.875 0.3 . 1 . . . . . 111 LYS C . 28102 1 1045 . 1 . 1 111 111 LYS CA C 13 56.993 0.3 . 1 . . . . . 111 LYS CA . 28102 1 1046 . 1 . 1 111 111 LYS CB C 13 28.175 0.3 . 1 . . . . . 111 LYS CB . 28102 1 1047 . 1 . 1 111 111 LYS CG C 13 24.695 0.3 . 1 . . . . . 111 LYS CG . 28102 1 1048 . 1 . 1 111 111 LYS N N 15 113.483 0.2 . 1 . . . . . 111 LYS N . 28102 1 1049 . 1 . 1 112 112 ASN H H 1 7.973 0.02 . 1 . . . . . 112 ASN H . 28102 1 1050 . 1 . 1 112 112 ASN HA H 1 4.464 0.02 . 1 . . . . . 112 ASN HA . 28102 1 1051 . 1 . 1 112 112 ASN HB2 H 1 2.279 0.02 . 2 . . . . . 112 ASN HB2 . 28102 1 1052 . 1 . 1 112 112 ASN HB3 H 1 2.47 0.02 . 2 . . . . . 112 ASN HB3 . 28102 1 1053 . 1 . 1 112 112 ASN C C 13 174.06 0.3 . 1 . . . . . 112 ASN C . 28102 1 1054 . 1 . 1 112 112 ASN CA C 13 51.108 0.3 . 1 . . . . . 112 ASN CA . 28102 1 1055 . 1 . 1 112 112 ASN CB C 13 37.725 0.3 . 1 . . . . . 112 ASN CB . 28102 1 1056 . 1 . 1 112 112 ASN N N 15 117.652 0.2 . 1 . . . . . 112 ASN N . 28102 1 1057 . 1 . 1 113 113 TYR H H 1 7.783 0.02 . 1 . . . . . 113 TYR H . 28102 1 1058 . 1 . 1 113 113 TYR HA H 1 3.991 0.02 . 1 . . . . . 113 TYR HA . 28102 1 1059 . 1 . 1 113 113 TYR HB2 H 1 3.226 0.02 . 2 . . . . . 113 TYR HB2 . 28102 1 1060 . 1 . 1 113 113 TYR HB3 H 1 2.803 0.02 . 2 . . . . . 113 TYR HB3 . 28102 1 1061 . 1 . 1 113 113 TYR C C 13 175.125 0.3 . 1 . . . . . 113 TYR C . 28102 1 1062 . 1 . 1 113 113 TYR CA C 13 59.944 0.3 . 1 . . . . . 113 TYR CA . 28102 1 1063 . 1 . 1 113 113 TYR CB C 13 37.199 0.3 . 1 . . . . . 113 TYR CB . 28102 1 1064 . 1 . 1 113 113 TYR N N 15 117.045 0.2 . 1 . . . . . 113 TYR N . 28102 1 1065 . 1 . 1 114 114 LEU H H 1 7.837 0.02 . 1 . . . . . 114 LEU H . 28102 1 1066 . 1 . 1 114 114 LEU HA H 1 3.466 0.02 . 1 . . . . . 114 LEU HA . 28102 1 1067 . 1 . 1 114 114 LEU HB3 H 1 1.765 0.02 . 2 . . . . . 114 LEU HB3 . 28102 1 1068 . 1 . 1 114 114 LEU HG H 1 1.232 0.02 . 1 . . . . . 114 LEU HG . 28102 1 1069 . 1 . 1 114 114 LEU HD11 H 1 0.127 0.02 . 2 . . . . . 114 LEU QD1 . 28102 1 1070 . 1 . 1 114 114 LEU HD12 H 1 0.127 0.02 . 2 . . . . . 114 LEU QD1 . 28102 1 1071 . 1 . 1 114 114 LEU HD13 H 1 0.127 0.02 . 2 . . . . . 114 LEU QD1 . 28102 1 1072 . 1 . 1 114 114 LEU HD21 H 1 0.297 0.02 . 2 . . . . . 114 LEU QD2 . 28102 1 1073 . 1 . 1 114 114 LEU HD22 H 1 0.297 0.02 . 2 . . . . . 114 LEU QD2 . 28102 1 1074 . 1 . 1 114 114 LEU HD23 H 1 0.297 0.02 . 2 . . . . . 114 LEU QD2 . 28102 1 1075 . 1 . 1 114 114 LEU C C 13 176.168 0.3 . 1 . . . . . 114 LEU C . 28102 1 1076 . 1 . 1 114 114 LEU CA C 13 55.522 0.3 . 1 . . . . . 114 LEU CA . 28102 1 1077 . 1 . 1 114 114 LEU CB C 13 39.299 0.3 . 1 . . . . . 114 LEU CB . 28102 1 1078 . 1 . 1 114 114 LEU CG C 13 24.814 0.3 . 1 . . . . . 114 LEU CG . 28102 1 1079 . 1 . 1 114 114 LEU CD1 C 13 27.023 0.3 . 2 . . . . . 114 LEU CD1 . 28102 1 1080 . 1 . 1 114 114 LEU CD2 C 13 23.159 0.3 . 2 . . . . . 114 LEU CD2 . 28102 1 1081 . 1 . 1 114 114 LEU N N 15 112.59 0.2 . 1 . . . . . 114 LEU N . 28102 1 1082 . 1 . 1 115 115 LEU H H 1 8.6 0.02 . 1 . . . . . 115 LEU H . 28102 1 1083 . 1 . 1 115 115 LEU HA H 1 4.182 0.02 . 1 . . . . . 115 LEU HA . 28102 1 1084 . 1 . 1 115 115 LEU HB2 H 1 1.619 0.02 . 2 . . . . . 115 LEU HB2 . 28102 1 1085 . 1 . 1 115 115 LEU HB3 H 1 1.749 0.02 . 2 . . . . . 115 LEU HB3 . 28102 1 1086 . 1 . 1 115 115 LEU HD11 H 1 0.901 0.02 . 2 . . . . . 115 LEU QD1 . 28102 1 1087 . 1 . 1 115 115 LEU HD12 H 1 0.901 0.02 . 2 . . . . . 115 LEU QD1 . 28102 1 1088 . 1 . 1 115 115 LEU HD13 H 1 0.901 0.02 . 2 . . . . . 115 LEU QD1 . 28102 1 1089 . 1 . 1 115 115 LEU HD21 H 1 0.771 0.02 . 2 . . . . . 115 LEU QD2 . 28102 1 1090 . 1 . 1 115 115 LEU HD22 H 1 0.771 0.02 . 2 . . . . . 115 LEU QD2 . 28102 1 1091 . 1 . 1 115 115 LEU HD23 H 1 0.771 0.02 . 2 . . . . . 115 LEU QD2 . 28102 1 1092 . 1 . 1 115 115 LEU C C 13 176.332 0.3 . 1 . . . . . 115 LEU C . 28102 1 1093 . 1 . 1 115 115 LEU CA C 13 56.376 0.3 . 1 . . . . . 115 LEU CA . 28102 1 1094 . 1 . 1 115 115 LEU CB C 13 43.158 0.3 . 1 . . . . . 115 LEU CB . 28102 1 1095 . 1 . 1 115 115 LEU CG C 13 26.815 0.3 . 1 . . . . . 115 LEU CG . 28102 1 1096 . 1 . 1 115 115 LEU CD1 C 13 25.137 0.3 . 2 . . . . . 115 LEU CD1 . 28102 1 1097 . 1 . 1 115 115 LEU CD2 C 13 22.272 0.3 . 2 . . . . . 115 LEU CD2 . 28102 1 1098 . 1 . 1 115 115 LEU N N 15 115.676 0.2 . 1 . . . . . 115 LEU N . 28102 1 1099 . 1 . 1 116 116 THR H H 1 7.061 0.02 . 1 . . . . . 116 THR H . 28102 1 1100 . 1 . 1 116 116 THR HA H 1 4.923 0.02 . 1 . . . . . 116 THR HA . 28102 1 1101 . 1 . 1 116 116 THR HB H 1 4.582 0.02 . 1 . . . . . 116 THR HB . 28102 1 1102 . 1 . 1 116 116 THR HG21 H 1 1.167 0.02 . 1 . . . . . 116 THR QG2 . 28102 1 1103 . 1 . 1 116 116 THR HG22 H 1 1.167 0.02 . 1 . . . . . 116 THR QG2 . 28102 1 1104 . 1 . 1 116 116 THR HG23 H 1 1.167 0.02 . 1 . . . . . 116 THR QG2 . 28102 1 1105 . 1 . 1 116 116 THR C C 13 172.64 0.3 . 1 . . . . . 116 THR C . 28102 1 1106 . 1 . 1 116 116 THR CA C 13 57.215 0.3 . 1 . . . . . 116 THR CA . 28102 1 1107 . 1 . 1 116 116 THR CB C 13 70.524 0.3 . 1 . . . . . 116 THR CB . 28102 1 1108 . 1 . 1 116 116 THR CG2 C 13 21.83 0.3 . 1 . . . . . 116 THR CG2 . 28102 1 1109 . 1 . 1 116 116 THR N N 15 104.345 0.2 . 1 . . . . . 116 THR N . 28102 1 1110 . 1 . 1 117 117 PRO HA H 1 3.707 0.02 . 1 . . . . . 117 PRO HA . 28102 1 1111 . 1 . 1 117 117 PRO HB3 H 1 1.322 0.02 . 2 . . . . . 117 PRO HB3 . 28102 1 1112 . 1 . 1 117 117 PRO HG2 H 1 1.974 0.02 . 2 . . . . . 117 PRO QG . 28102 1 1113 . 1 . 1 117 117 PRO HG3 H 1 1.974 0.02 . 2 . . . . . 117 PRO QG . 28102 1 1114 . 1 . 1 117 117 PRO HD2 H 1 2.623 0.02 . 2 . . . . . 117 PRO HD2 . 28102 1 1115 . 1 . 1 117 117 PRO HD3 H 1 3.596 0.02 . 2 . . . . . 117 PRO HD3 . 28102 1 1116 . 1 . 1 117 117 PRO C C 13 177.184 0.3 . 1 . . . . . 117 PRO C . 28102 1 1117 . 1 . 1 117 117 PRO CA C 13 64.663 0.3 . 1 . . . . . 117 PRO CA . 28102 1 1118 . 1 . 1 117 117 PRO CB C 13 28.971 0.3 . 1 . . . . . 117 PRO CB . 28102 1 1119 . 1 . 1 117 117 PRO CG C 13 27.382 0.3 . 1 . . . . . 117 PRO CG . 28102 1 1120 . 1 . 1 117 117 PRO CD C 13 48.676 0.3 . 1 . . . . . 117 PRO CD . 28102 1 1121 . 1 . 1 118 118 GLN H H 1 7.905 0.02 . 1 . . . . . 118 GLN H . 28102 1 1122 . 1 . 1 118 118 GLN HA H 1 3.839 0.02 . 1 . . . . . 118 GLN HA . 28102 1 1123 . 1 . 1 118 118 GLN HB2 H 1 1.957 0.02 . 2 . . . . . 118 GLN HB2 . 28102 1 1124 . 1 . 1 118 118 GLN HG3 H 1 2.329 0.02 . 2 . . . . . 118 GLN HG3 . 28102 1 1125 . 1 . 1 118 118 GLN C C 13 177.313 0.3 . 1 . . . . . 118 GLN C . 28102 1 1126 . 1 . 1 118 118 GLN CA C 13 59.767 0.3 . 1 . . . . . 118 GLN CA . 28102 1 1127 . 1 . 1 118 118 GLN CB C 13 27.726 0.3 . 1 . . . . . 118 GLN CB . 28102 1 1128 . 1 . 1 118 118 GLN CG C 13 33.716 0.3 . 1 . . . . . 118 GLN CG . 28102 1 1129 . 1 . 1 118 118 GLN N N 15 116.094 0.2 . 1 . . . . . 118 GLN N . 28102 1 1130 . 1 . 1 119 119 ALA H H 1 7.675 0.02 . 1 . . . . . 119 ALA H . 28102 1 1131 . 1 . 1 119 119 ALA HA H 1 4.122 0.02 . 1 . . . . . 119 ALA HA . 28102 1 1132 . 1 . 1 119 119 ALA HB1 H 1 1.461 0.02 . 1 . . . . . 119 ALA HB# . 28102 1 1133 . 1 . 1 119 119 ALA HB2 H 1 1.461 0.02 . 1 . . . . . 119 ALA HB# . 28102 1 1134 . 1 . 1 119 119 ALA HB3 H 1 1.461 0.02 . 1 . . . . . 119 ALA HB# . 28102 1 1135 . 1 . 1 119 119 ALA C C 13 182.033 0.3 . 1 . . . . . 119 ALA C . 28102 1 1136 . 1 . 1 119 119 ALA CA C 13 55.229 0.3 . 1 . . . . . 119 ALA CA . 28102 1 1137 . 1 . 1 119 119 ALA CB C 13 18.967 0.3 . 1 . . . . . 119 ALA CB . 28102 1 1138 . 1 . 1 119 119 ALA N N 15 121.148 0.2 . 1 . . . . . 119 ALA N . 28102 1 1139 . 1 . 1 120 120 GLN H H 1 8.083 0.02 . 1 . . . . . 120 GLN H . 28102 1 1140 . 1 . 1 120 120 GLN HA H 1 3.679 0.02 . 1 . . . . . 120 GLN HA . 28102 1 1141 . 1 . 1 120 120 GLN HB2 H 1 2.017 0.02 . 2 . . . . . 120 GLN HB2 . 28102 1 1142 . 1 . 1 120 120 GLN HB3 H 1 2.158 0.02 . 2 . . . . . 120 GLN HB3 . 28102 1 1143 . 1 . 1 120 120 GLN HG2 H 1 2.47 0.02 . 2 . . . . . 120 GLN HG2 . 28102 1 1144 . 1 . 1 120 120 GLN HG3 H 1 1.725 0.02 . 2 . . . . . 120 GLN HG3 . 28102 1 1145 . 1 . 1 120 120 GLN C C 13 176.807 0.3 . 1 . . . . . 120 GLN C . 28102 1 1146 . 1 . 1 120 120 GLN CA C 13 59.898 0.3 . 1 . . . . . 120 GLN CA . 28102 1 1147 . 1 . 1 120 120 GLN CB C 13 28.218 0.3 . 1 . . . . . 120 GLN CB . 28102 1 1148 . 1 . 1 120 120 GLN CG C 13 34.649 0.3 . 1 . . . . . 120 GLN CG . 28102 1 1149 . 1 . 1 120 120 GLN N N 15 117.712 0.2 . 1 . . . . . 120 GLN N . 28102 1 1150 . 1 . 1 121 121 ALA H H 1 8.801 0.02 . 1 . . . . . 121 ALA H . 28102 1 1151 . 1 . 1 121 121 ALA HA H 1 3.537 0.02 . 1 . . . . . 121 ALA HA . 28102 1 1152 . 1 . 1 121 121 ALA HB1 H 1 1.501 0.02 . 1 . . . . . 121 ALA HB# . 28102 1 1153 . 1 . 1 121 121 ALA HB2 H 1 1.501 0.02 . 1 . . . . . 121 ALA HB# . 28102 1 1154 . 1 . 1 121 121 ALA HB3 H 1 1.501 0.02 . 1 . . . . . 121 ALA HB# . 28102 1 1155 . 1 . 1 121 121 ALA C C 13 179.584 0.3 . 1 . . . . . 121 ALA C . 28102 1 1156 . 1 . 1 121 121 ALA CA C 13 55.338 0.3 . 1 . . . . . 121 ALA CA . 28102 1 1157 . 1 . 1 121 121 ALA CB C 13 18.021 0.3 . 1 . . . . . 121 ALA CB . 28102 1 1158 . 1 . 1 121 121 ALA N N 15 121.922 0.2 . 1 . . . . . 121 ALA N . 28102 1 1159 . 1 . 1 122 122 ASP H H 1 8.219 0.02 . 1 . . . . . 122 ASP H . 28102 1 1160 . 1 . 1 122 122 ASP HA H 1 4.202 0.02 . 1 . . . . . 122 ASP HA . 28102 1 1161 . 1 . 1 122 122 ASP HB2 H 1 2.561 0.02 . 2 . . . . . 122 ASP HB2 . 28102 1 1162 . 1 . 1 122 122 ASP C C 13 178.835 0.3 . 1 . . . . . 122 ASP C . 28102 1 1163 . 1 . 1 122 122 ASP CA C 13 57.946 0.3 . 1 . . . . . 122 ASP CA . 28102 1 1164 . 1 . 1 122 122 ASP CB C 13 39.868 0.3 . 1 . . . . . 122 ASP CB . 28102 1 1165 . 1 . 1 122 122 ASP N N 15 118.016 0.2 . 1 . . . . . 122 ASP N . 28102 1 1166 . 1 . 1 123 123 PHE H H 1 7.711 0.02 . 1 . . . . . 123 PHE H . 28102 1 1167 . 1 . 1 123 123 PHE HA H 1 4.283 0.02 . 1 . . . . . 123 PHE HA . 28102 1 1168 . 1 . 1 123 123 PHE HB2 H 1 2.722 0.02 . 2 . . . . . 123 PHE HB2 . 28102 1 1169 . 1 . 1 123 123 PHE HB3 H 1 3.115 0.02 . 2 . . . . . 123 PHE HB3 . 28102 1 1170 . 1 . 1 123 123 PHE C C 13 178.927 0.3 . 1 . . . . . 123 PHE C . 28102 1 1171 . 1 . 1 123 123 PHE CA C 13 61.063 0.3 . 1 . . . . . 123 PHE CA . 28102 1 1172 . 1 . 1 123 123 PHE CB C 13 39.653 0.3 . 1 . . . . . 123 PHE CB . 28102 1 1173 . 1 . 1 123 123 PHE N N 15 119.786 0.2 . 1 . . . . . 123 PHE N . 28102 1 1174 . 1 . 1 124 124 LEU H H 1 9.103 0.02 . 1 . . . . . 124 LEU H . 28102 1 1175 . 1 . 1 124 124 LEU HA H 1 3.14 0.02 . 1 . . . . . 124 LEU HA . 28102 1 1176 . 1 . 1 124 124 LEU HB2 H 1 0.698 0.02 . 2 . . . . . 124 LEU HB2 . 28102 1 1177 . 1 . 1 124 124 LEU HB3 H 1 1.443 0.02 . 2 . . . . . 124 LEU HB3 . 28102 1 1178 . 1 . 1 124 124 LEU HD11 H 1 0.412 0.02 . 2 . . . . . 124 LEU QD1 . 28102 1 1179 . 1 . 1 124 124 LEU HD12 H 1 0.412 0.02 . 2 . . . . . 124 LEU QD1 . 28102 1 1180 . 1 . 1 124 124 LEU HD13 H 1 0.412 0.02 . 2 . . . . . 124 LEU QD1 . 28102 1 1181 . 1 . 1 124 124 LEU HD21 H 1 -0.235 0.02 . 2 . . . . . 124 LEU QD2 . 28102 1 1182 . 1 . 1 124 124 LEU HD22 H 1 -0.235 0.02 . 2 . . . . . 124 LEU QD2 . 28102 1 1183 . 1 . 1 124 124 LEU HD23 H 1 -0.235 0.02 . 2 . . . . . 124 LEU QD2 . 28102 1 1184 . 1 . 1 124 124 LEU C C 13 179.383 0.3 . 1 . . . . . 124 LEU C . 28102 1 1185 . 1 . 1 124 124 LEU CA C 13 57.569 0.3 . 1 . . . . . 124 LEU CA . 28102 1 1186 . 1 . 1 124 124 LEU CB C 13 39.171 0.3 . 1 . . . . . 124 LEU CB . 28102 1 1187 . 1 . 1 124 124 LEU CG C 13 26.873 0.3 . 1 . . . . . 124 LEU CG . 28102 1 1188 . 1 . 1 124 124 LEU CD1 C 13 23.228 0.3 . 2 . . . . . 124 LEU CD1 . 28102 1 1189 . 1 . 1 124 124 LEU CD2 C 13 25.988 0.3 . 2 . . . . . 124 LEU CD2 . 28102 1 1190 . 1 . 1 124 124 LEU N N 15 123.069 0.2 . 1 . . . . . 124 LEU N . 28102 1 1191 . 1 . 1 125 125 ALA H H 1 7.971 0.02 . 1 . . . . . 125 ALA H . 28102 1 1192 . 1 . 1 125 125 ALA HA H 1 4.585 0.02 . 1 . . . . . 125 ALA HA . 28102 1 1193 . 1 . 1 125 125 ALA HB1 H 1 1.453 0.02 . 1 . . . . . 125 ALA HB# . 28102 1 1194 . 1 . 1 125 125 ALA HB2 H 1 1.453 0.02 . 1 . . . . . 125 ALA HB# . 28102 1 1195 . 1 . 1 125 125 ALA HB3 H 1 1.453 0.02 . 1 . . . . . 125 ALA HB# . 28102 1 1196 . 1 . 1 125 125 ALA C C 13 181.668 0.3 . 1 . . . . . 125 ALA C . 28102 1 1197 . 1 . 1 125 125 ALA CA C 13 55.159 0.3 . 1 . . . . . 125 ALA CA . 28102 1 1198 . 1 . 1 125 125 ALA CB C 13 18.152 0.3 . 1 . . . . . 125 ALA CB . 28102 1 1199 . 1 . 1 125 125 ALA N N 15 123.727 0.2 . 1 . . . . . 125 ALA N . 28102 1 1200 . 1 . 1 126 126 THR H H 1 7.355 0.02 . 1 . . . . . 126 THR H . 28102 1 1201 . 1 . 1 126 126 THR HA H 1 4.212 0.02 . 1 . . . . . 126 THR HA . 28102 1 1202 . 1 . 1 126 126 THR HB H 1 4.233 0.02 . 1 . . . . . 126 THR HB . 28102 1 1203 . 1 . 1 126 126 THR HG21 H 1 1.302 0.02 . 1 . . . . . 126 THR QG2 . 28102 1 1204 . 1 . 1 126 126 THR HG22 H 1 1.302 0.02 . 1 . . . . . 126 THR QG2 . 28102 1 1205 . 1 . 1 126 126 THR HG23 H 1 1.302 0.02 . 1 . . . . . 126 THR QG2 . 28102 1 1206 . 1 . 1 126 126 THR C C 13 174.669 0.3 . 1 . . . . . 126 THR C . 28102 1 1207 . 1 . 1 126 126 THR CA C 13 64.352 0.3 . 1 . . . . . 126 THR CA . 28102 1 1208 . 1 . 1 126 126 THR CB C 13 69.945 0.3 . 1 . . . . . 126 THR CB . 28102 1 1209 . 1 . 1 126 126 THR CG2 C 13 21.37 0.3 . 1 . . . . . 126 THR CG2 . 28102 1 1210 . 1 . 1 126 126 THR N N 15 109.769 0.2 . 1 . . . . . 126 THR N . 28102 1 1211 . 1 . 1 127 127 GLN H H 1 7.155 0.02 . 1 . . . . . 127 GLN H . 28102 1 1212 . 1 . 1 127 127 GLN HA H 1 4.182 0.02 . 1 . . . . . 127 GLN HA . 28102 1 1213 . 1 . 1 127 127 GLN HB2 H 1 1.547 0.02 . 2 . . . . . 127 GLN HB2 . 28102 1 1214 . 1 . 1 127 127 GLN HG3 H 1 2.349 0.02 . 2 . . . . . 127 GLN HG3 . 28102 1 1215 . 1 . 1 127 127 GLN C C 13 175.528 0.3 . 1 . . . . . 127 GLN C . 28102 1 1216 . 1 . 1 127 127 GLN CA C 13 53.24 0.3 . 1 . . . . . 127 GLN CA . 28102 1 1217 . 1 . 1 127 127 GLN CB C 13 28.604 0.3 . 1 . . . . . 127 GLN CB . 28102 1 1218 . 1 . 1 127 127 GLN CG C 13 32.783 0.3 . 1 . . . . . 127 GLN CG . 28102 1 1219 . 1 . 1 127 127 GLN N N 15 117.754 0.2 . 1 . . . . . 127 GLN N . 28102 1 1220 . 1 . 1 128 128 GLY H H 1 7.386 0.02 . 1 . . . . . 128 GLY H . 28102 1 1221 . 1 . 1 128 128 GLY HA2 H 1 3.598 0.02 . 2 . . . . . 128 GLY HA2 . 28102 1 1222 . 1 . 1 128 128 GLY HA3 H 1 4.011 0.02 . 2 . . . . . 128 GLY HA3 . 28102 1 1223 . 1 . 1 128 128 GLY C C 13 173.919 0.3 . 1 . . . . . 128 GLY C . 28102 1 1224 . 1 . 1 128 128 GLY CA C 13 45.89 0.3 . 1 . . . . . 128 GLY CA . 28102 1 1225 . 1 . 1 128 128 GLY N N 15 105.715 0.2 . 1 . . . . . 128 GLY N . 28102 1 1226 . 1 . 1 129 129 VAL H H 1 7.386 0.02 . 1 . . . . . 129 VAL H . 28102 1 1227 . 1 . 1 129 129 VAL HA H 1 3.87 0.02 . 1 . . . . . 129 VAL HA . 28102 1 1228 . 1 . 1 129 129 VAL HB H 1 1.482 0.02 . 1 . . . . . 129 VAL HB . 28102 1 1229 . 1 . 1 129 129 VAL HG11 H 1 0.627 0.02 . 2 . . . . . 129 VAL QG1 . 28102 1 1230 . 1 . 1 129 129 VAL HG12 H 1 0.627 0.02 . 2 . . . . . 129 VAL QG1 . 28102 1 1231 . 1 . 1 129 129 VAL HG13 H 1 0.627 0.02 . 2 . . . . . 129 VAL QG1 . 28102 1 1232 . 1 . 1 129 129 VAL HG21 H 1 0.776 0.02 . 2 . . . . . 129 VAL QG2 . 28102 1 1233 . 1 . 1 129 129 VAL HG22 H 1 0.776 0.02 . 2 . . . . . 129 VAL QG2 . 28102 1 1234 . 1 . 1 129 129 VAL HG23 H 1 0.776 0.02 . 2 . . . . . 129 VAL QG2 . 28102 1 1235 . 1 . 1 129 129 VAL C C 13 174.851 0.3 . 1 . . . . . 129 VAL C . 28102 1 1236 . 1 . 1 129 129 VAL CA C 13 61.773 0.3 . 1 . . . . . 129 VAL CA . 28102 1 1237 . 1 . 1 129 129 VAL CB C 13 32.064 0.3 . 1 . . . . . 129 VAL CB . 28102 1 1238 . 1 . 1 129 129 VAL CG1 C 13 21.499 0.3 . 2 . . . . . 129 VAL CG1 . 28102 1 1239 . 1 . 1 129 129 VAL CG2 C 13 21.422 0.3 . 2 . . . . . 129 VAL CG2 . 28102 1 1240 . 1 . 1 129 129 VAL N N 15 122.023 0.2 . 1 . . . . . 129 VAL N . 28102 1 1241 . 1 . 1 130 130 ASP H H 1 8.454 0.02 . 1 . . . . . 130 ASP H . 28102 1 1242 . 1 . 1 130 130 ASP HA H 1 4.323 0.02 . 1 . . . . . 130 ASP HA . 28102 1 1243 . 1 . 1 130 130 ASP HB2 H 1 2.601 0.02 . 2 . . . . . 130 ASP HB2 . 28102 1 1244 . 1 . 1 130 130 ASP C C 13 175.966 0.3 . 1 . . . . . 130 ASP C . 28102 1 1245 . 1 . 1 130 130 ASP CA C 13 55.311 0.3 . 1 . . . . . 130 ASP CA . 28102 1 1246 . 1 . 1 130 130 ASP CB C 13 43.145 0.3 . 1 . . . . . 130 ASP CB . 28102 1 1247 . 1 . 1 130 130 ASP N N 15 128.559 0.2 . 1 . . . . . 130 ASP N . 28102 1 1248 . 1 . 1 131 131 LYS H H 1 8.341 0.02 . 1 . . . . . 131 LYS H . 28102 1 1249 . 1 . 1 131 131 LYS HA H 1 4.152 0.02 . 1 . . . . . 131 LYS HA . 28102 1 1250 . 1 . 1 131 131 LYS HB2 H 1 1.695 0.02 . 2 . . . . . 131 LYS HB2 . 28102 1 1251 . 1 . 1 131 131 LYS HB3 H 1 1.403 0.02 . 2 . . . . . 131 LYS HB3 . 28102 1 1252 . 1 . 1 131 131 LYS C C 13 177.684 0.3 . 1 . . . . . 131 LYS C . 28102 1 1253 . 1 . 1 131 131 LYS CA C 13 60.766 0.3 . 1 . . . . . 131 LYS CA . 28102 1 1254 . 1 . 1 131 131 LYS CB C 13 33.174 0.3 . 1 . . . . . 131 LYS CB . 28102 1 1255 . 1 . 1 131 131 LYS CG C 13 25.504 0.3 . 1 . . . . . 131 LYS CG . 28102 1 1256 . 1 . 1 131 131 LYS CD C 13 29.734 0.3 . 1 . . . . . 131 LYS CD . 28102 1 1257 . 1 . 1 131 131 LYS CE C 13 41.928 0.3 . 1 . . . . . 131 LYS CE . 28102 1 1258 . 1 . 1 131 131 LYS N N 15 126.589 0.2 . 1 . . . . . 131 LYS N . 28102 1 1259 . 1 . 1 132 132 LYS H H 1 7.803 0.02 . 1 . . . . . 132 LYS H . 28102 1 1260 . 1 . 1 132 132 LYS HA H 1 3.961 0.02 . 1 . . . . . 132 LYS HA . 28102 1 1261 . 1 . 1 132 132 LYS HB3 H 1 1.836 0.02 . 2 . . . . . 132 LYS HB3 . 28102 1 1262 . 1 . 1 132 132 LYS HG2 H 1 1.332 0.02 . 2 . . . . . 132 LYS HG2 . 28102 1 1263 . 1 . 1 132 132 LYS C C 13 178.927 0.3 . 1 . . . . . 132 LYS C . 28102 1 1264 . 1 . 1 132 132 LYS CA C 13 59.755 0.3 . 1 . . . . . 132 LYS CA . 28102 1 1265 . 1 . 1 132 132 LYS CB C 13 31.808 0.3 . 1 . . . . . 132 LYS CB . 28102 1 1266 . 1 . 1 132 132 LYS CG C 13 25.069 0.3 . 1 . . . . . 132 LYS CG . 28102 1 1267 . 1 . 1 132 132 LYS CD C 13 28.801 0.3 . 1 . . . . . 132 LYS CD . 28102 1 1268 . 1 . 1 132 132 LYS CE C 13 42.239 0.3 . 1 . . . . . 132 LYS CE . 28102 1 1269 . 1 . 1 132 132 LYS N N 15 118.551 0.2 . 1 . . . . . 132 LYS N . 28102 1 1270 . 1 . 1 133 133 LYS H H 1 8.126 0.02 . 1 . . . . . 133 LYS H . 28102 1 1271 . 1 . 1 133 133 LYS HA H 1 3.998 0.02 . 1 . . . . . 133 LYS HA . 28102 1 1272 . 1 . 1 133 133 LYS HB3 H 1 1.786 0.02 . 2 . . . . . 133 LYS HB3 . 28102 1 1273 . 1 . 1 133 133 LYS HG2 H 1 1.453 0.02 . 2 . . . . . 133 LYS HG2 . 28102 1 1274 . 1 . 1 133 133 LYS C C 13 180.315 0.3 . 1 . . . . . 133 LYS C . 28102 1 1275 . 1 . 1 133 133 LYS CA C 13 59.557 0.3 . 1 . . . . . 133 LYS CA . 28102 1 1276 . 1 . 1 133 133 LYS CB C 13 32.347 0.3 . 1 . . . . . 133 LYS CB . 28102 1 1277 . 1 . 1 133 133 LYS CG C 13 25.566 0.3 . 1 . . . . . 133 LYS CG . 28102 1 1278 . 1 . 1 133 133 LYS CD C 13 29.112 0.3 . 1 . . . . . 133 LYS CD . 28102 1 1279 . 1 . 1 133 133 LYS CE C 13 41.974 0.3 . 1 . . . . . 133 LYS CE . 28102 1 1280 . 1 . 1 133 133 LYS N N 15 118.761 0.2 . 1 . . . . . 133 LYS N . 28102 1 1281 . 1 . 1 134 134 PHE H H 1 8.465 0.02 . 1 . . . . . 134 PHE H . 28102 1 1282 . 1 . 1 134 134 PHE HA H 1 4.072 0.02 . 1 . . . . . 134 PHE HA . 28102 1 1283 . 1 . 1 134 134 PHE HB2 H 1 2.833 0.02 . 2 . . . . . 134 PHE HB2 . 28102 1 1284 . 1 . 1 134 134 PHE HB3 H 1 3.014 0.02 . 2 . . . . . 134 PHE HB3 . 28102 1 1285 . 1 . 1 134 134 PHE C C 13 175.948 0.3 . 1 . . . . . 134 PHE C . 28102 1 1286 . 1 . 1 134 134 PHE CA C 13 62.576 0.3 . 1 . . . . . 134 PHE CA . 28102 1 1287 . 1 . 1 134 134 PHE CB C 13 38.613 0.3 . 1 . . . . . 134 PHE CB . 28102 1 1288 . 1 . 1 134 134 PHE N N 15 118.988 0.2 . 1 . . . . . 134 PHE N . 28102 1 1289 . 1 . 1 135 135 LEU H H 1 8.618 0.02 . 1 . . . . . 135 LEU H . 28102 1 1290 . 1 . 1 135 135 LEU HA H 1 3.518 0.02 . 1 . . . . . 135 LEU HA . 28102 1 1291 . 1 . 1 135 135 LEU HB2 H 1 1.251 0.02 . 2 . . . . . 135 LEU HB2 . 28102 1 1292 . 1 . 1 135 135 LEU HB3 H 1 1.806 0.02 . 2 . . . . . 135 LEU HB3 . 28102 1 1293 . 1 . 1 135 135 LEU HD11 H 1 0.733 0.02 . 2 . . . . . 135 LEU QD1 . 28102 1 1294 . 1 . 1 135 135 LEU HD12 H 1 0.733 0.02 . 2 . . . . . 135 LEU QD1 . 28102 1 1295 . 1 . 1 135 135 LEU HD13 H 1 0.733 0.02 . 2 . . . . . 135 LEU QD1 . 28102 1 1296 . 1 . 1 135 135 LEU HD21 H 1 0.579 0.02 . 2 . . . . . 135 LEU QD2 . 28102 1 1297 . 1 . 1 135 135 LEU HD22 H 1 0.579 0.02 . 2 . . . . . 135 LEU QD2 . 28102 1 1298 . 1 . 1 135 135 LEU HD23 H 1 0.579 0.02 . 2 . . . . . 135 LEU QD2 . 28102 1 1299 . 1 . 1 135 135 LEU C C 13 179.255 0.3 . 1 . . . . . 135 LEU C . 28102 1 1300 . 1 . 1 135 135 LEU CA C 13 58.467 0.3 . 1 . . . . . 135 LEU CA . 28102 1 1301 . 1 . 1 135 135 LEU CB C 13 40.809 0.3 . 1 . . . . . 135 LEU CB . 28102 1 1302 . 1 . 1 135 135 LEU CG C 13 27.246 0.3 . 1 . . . . . 135 LEU CG . 28102 1 1303 . 1 . 1 135 135 LEU CD1 C 13 25.28 0.3 . 2 . . . . . 135 LEU CD1 . 28102 1 1304 . 1 . 1 135 135 LEU CD2 C 13 22.618 0.3 . 2 . . . . . 135 LEU CD2 . 28102 1 1305 . 1 . 1 135 135 LEU N N 15 121.643 0.2 . 1 . . . . . 135 LEU N . 28102 1 1306 . 1 . 1 136 136 ASP H H 1 8.31 0.02 . 1 . . . . . 136 ASP H . 28102 1 1307 . 1 . 1 136 136 ASP HA H 1 4.263 0.02 . 1 . . . . . 136 ASP HA . 28102 1 1308 . 1 . 1 136 136 ASP HB2 H 1 2.47 0.02 . 2 . . . . . 136 ASP HB2 . 28102 1 1309 . 1 . 1 136 136 ASP HB3 H 1 2.682 0.02 . 2 . . . . . 136 ASP HB3 . 28102 1 1310 . 1 . 1 136 136 ASP C C 13 178.817 0.3 . 1 . . . . . 136 ASP C . 28102 1 1311 . 1 . 1 136 136 ASP CA C 13 57.347 0.3 . 1 . . . . . 136 ASP CA . 28102 1 1312 . 1 . 1 136 136 ASP CB C 13 40.113 0.3 . 1 . . . . . 136 ASP CB . 28102 1 1313 . 1 . 1 136 136 ASP N N 15 118.828 0.2 . 1 . . . . . 136 ASP N . 28102 1 1314 . 1 . 1 137 137 ALA H H 1 7.49 0.02 . 1 . . . . . 137 ALA H . 28102 1 1315 . 1 . 1 137 137 ALA HA H 1 4.041 0.02 . 1 . . . . . 137 ALA HA . 28102 1 1316 . 1 . 1 137 137 ALA HB1 H 1 1.387 0.02 . 1 . . . . . 137 ALA HB# . 28102 1 1317 . 1 . 1 137 137 ALA HB2 H 1 1.387 0.02 . 1 . . . . . 137 ALA HB# . 28102 1 1318 . 1 . 1 137 137 ALA HB3 H 1 1.387 0.02 . 1 . . . . . 137 ALA HB# . 28102 1 1319 . 1 . 1 137 137 ALA C C 13 180.59 0.3 . 1 . . . . . 137 ALA C . 28102 1 1320 . 1 . 1 137 137 ALA CA C 13 55.695 0.3 . 1 . . . . . 137 ALA CA . 28102 1 1321 . 1 . 1 137 137 ALA CB C 13 17.899 0.3 . 1 . . . . . 137 ALA CB . 28102 1 1322 . 1 . 1 137 137 ALA N N 15 121.859 0.2 . 1 . . . . . 137 ALA N . 28102 1 1323 . 1 . 1 138 138 TYR H H 1 9.034 0.02 . 1 . . . . . 138 TYR H . 28102 1 1324 . 1 . 1 138 138 TYR HA H 1 3.296 0.02 . 1 . . . . . 138 TYR HA . 28102 1 1325 . 1 . 1 138 138 TYR HB2 H 1 2.712 0.02 . 2 . . . . . 138 TYR HB2 . 28102 1 1326 . 1 . 1 138 138 TYR HB3 H 1 1.957 0.02 . 2 . . . . . 138 TYR HB3 . 28102 1 1327 . 1 . 1 138 138 TYR C C 13 175.034 0.3 . 1 . . . . . 138 TYR C . 28102 1 1328 . 1 . 1 138 138 TYR CA C 13 63.069 0.3 . 1 . . . . . 138 TYR CA . 28102 1 1329 . 1 . 1 138 138 TYR CB C 13 38.649 0.3 . 1 . . . . . 138 TYR CB . 28102 1 1330 . 1 . 1 138 138 TYR N N 15 122.171 0.2 . 1 . . . . . 138 TYR N . 28102 1 1331 . 1 . 1 139 139 ASN H H 1 7.514 0.02 . 1 . . . . . 139 ASN H . 28102 1 1332 . 1 . 1 139 139 ASN HA H 1 4.646 0.02 . 1 . . . . . 139 ASN HA . 28102 1 1333 . 1 . 1 139 139 ASN HB2 H 1 2.631 0.02 . 2 . . . . . 139 ASN HB2 . 28102 1 1334 . 1 . 1 139 139 ASN HB3 H 1 2.934 0.02 . 2 . . . . . 139 ASN HB3 . 28102 1 1335 . 1 . 1 139 139 ASN C C 13 175.218 0.3 . 1 . . . . . 139 ASN C . 28102 1 1336 . 1 . 1 139 139 ASN CA C 13 53.833 0.3 . 1 . . . . . 139 ASN CA . 28102 1 1337 . 1 . 1 139 139 ASN CB C 13 40.099 0.3 . 1 . . . . . 139 ASN CB . 28102 1 1338 . 1 . 1 139 139 ASN N N 15 110.374 0.2 . 1 . . . . . 139 ASN N . 28102 1 1339 . 1 . 1 140 140 SER H H 1 7.635 0.02 . 1 . . . . . 140 SER H . 28102 1 1340 . 1 . 1 140 140 SER C C 13 175.394 0.3 . 1 . . . . . 140 SER C . 28102 1 1341 . 1 . 1 140 140 SER CA C 13 59.596 0.3 . 1 . . . . . 140 SER CA . 28102 1 1342 . 1 . 1 140 140 SER CB C 13 65.171 0.3 . 1 . . . . . 140 SER CB . 28102 1 1343 . 1 . 1 140 140 SER N N 15 117.209 0.2 . 1 . . . . . 140 SER N . 28102 1 1344 . 1 . 1 141 141 PHE H H 1 8.95 0.02 . 1 . . . . . 141 PHE H . 28102 1 1345 . 1 . 1 141 141 PHE C C 13 179.073 0.3 . 1 . . . . . 141 PHE C . 28102 1 1346 . 1 . 1 141 141 PHE CA C 13 61.248 0.3 . 1 . . . . . 141 PHE CA . 28102 1 1347 . 1 . 1 141 141 PHE CB C 13 38.624 0.3 . 1 . . . . . 141 PHE CB . 28102 1 1348 . 1 . 1 141 141 PHE N N 15 124.103 0.2 . 1 . . . . . 141 PHE N . 28102 1 1349 . 1 . 1 142 142 SER HA H 1 3.781 0.02 . 1 . . . . . 142 SER HA . 28102 1 1350 . 1 . 1 142 142 SER HB2 H 1 3.78 0.02 . 2 . . . . . 142 SER HB2 . 28102 1 1351 . 1 . 1 142 142 SER C C 13 177.588 0.3 . 1 . . . . . 142 SER C . 28102 1 1352 . 1 . 1 142 142 SER CA C 13 61.632 0.3 . 1 . . . . . 142 SER CA . 28102 1 1353 . 1 . 1 142 142 SER CB C 13 62.11 0.3 . 1 . . . . . 142 SER CB . 28102 1 1354 . 1 . 1 143 143 VAL H H 1 7.295 0.02 . 1 . . . . . 143 VAL H . 28102 1 1355 . 1 . 1 143 143 VAL HA H 1 3.565 0.02 . 1 . . . . . 143 VAL HA . 28102 1 1356 . 1 . 1 143 143 VAL HB H 1 1.972 0.02 . 1 . . . . . 143 VAL HB . 28102 1 1357 . 1 . 1 143 143 VAL HG11 H 1 0.709 0.02 . 2 . . . . . 143 VAL QG1 . 28102 1 1358 . 1 . 1 143 143 VAL HG12 H 1 0.709 0.02 . 2 . . . . . 143 VAL QG1 . 28102 1 1359 . 1 . 1 143 143 VAL HG13 H 1 0.709 0.02 . 2 . . . . . 143 VAL QG1 . 28102 1 1360 . 1 . 1 143 143 VAL HG21 H 1 0.812 0.02 . 2 . . . . . 143 VAL QG2 . 28102 1 1361 . 1 . 1 143 143 VAL HG22 H 1 0.812 0.02 . 2 . . . . . 143 VAL QG2 . 28102 1 1362 . 1 . 1 143 143 VAL HG23 H 1 0.812 0.02 . 2 . . . . . 143 VAL QG2 . 28102 1 1363 . 1 . 1 143 143 VAL C C 13 177.237 0.3 . 1 . . . . . 143 VAL C . 28102 1 1364 . 1 . 1 143 143 VAL CA C 13 67.166 0.3 . 1 . . . . . 143 VAL CA . 28102 1 1365 . 1 . 1 143 143 VAL CB C 13 31.298 0.3 . 1 . . . . . 143 VAL CB . 28102 1 1366 . 1 . 1 143 143 VAL CG1 C 13 23.991 0.3 . 2 . . . . . 143 VAL CG1 . 28102 1 1367 . 1 . 1 143 143 VAL CG2 C 13 21.394 0.3 . 2 . . . . . 143 VAL CG2 . 28102 1 1368 . 1 . 1 143 143 VAL N N 15 123.425 0.2 . 1 . . . . . 143 VAL N . 28102 1 1369 . 1 . 1 144 144 GLN H H 1 7.751 0.02 . 1 . . . . . 144 GLN H . 28102 1 1370 . 1 . 1 144 144 GLN HA H 1 3.689 0.02 . 1 . . . . . 144 GLN HA . 28102 1 1371 . 1 . 1 144 144 GLN HB3 H 1 2.047 0.02 . 2 . . . . . 144 GLN HB3 . 28102 1 1372 . 1 . 1 144 144 GLN HG3 H 1 2.269 0.02 . 2 . . . . . 144 GLN HG3 . 28102 1 1373 . 1 . 1 144 144 GLN C C 13 179.256 0.3 . 1 . . . . . 144 GLN C . 28102 1 1374 . 1 . 1 144 144 GLN CA C 13 59.614 0.3 . 1 . . . . . 144 GLN CA . 28102 1 1375 . 1 . 1 144 144 GLN CB C 13 27.692 0.3 . 1 . . . . . 144 GLN CB . 28102 1 1376 . 1 . 1 144 144 GLN CG C 13 33.529 0.3 . 1 . . . . . 144 GLN CG . 28102 1 1377 . 1 . 1 144 144 GLN N N 15 119.361 0.2 . 1 . . . . . 144 GLN N . 28102 1 1378 . 1 . 1 145 145 GLY H H 1 8.116 0.02 . 1 . . . . . 145 GLY H . 28102 1 1379 . 1 . 1 145 145 GLY HA2 H 1 3.689 0.02 . 2 . . . . . 145 GLY HA2 . 28102 1 1380 . 1 . 1 145 145 GLY C C 13 176.825 0.3 . 1 . . . . . 145 GLY C . 28102 1 1381 . 1 . 1 145 145 GLY CA C 13 47.273 0.3 . 1 . . . . . 145 GLY CA . 28102 1 1382 . 1 . 1 145 145 GLY N N 15 106.622 0.2 . 1 . . . . . 145 GLY N . 28102 1 1383 . 1 . 1 146 146 GLN H H 1 7.66 0.02 . 1 . . . . . 146 GLN H . 28102 1 1384 . 1 . 1 146 146 GLN HA H 1 3.759 0.02 . 1 . . . . . 146 GLN HA . 28102 1 1385 . 1 . 1 146 146 GLN HB2 H 1 1.373 0.02 . 2 . . . . . 146 GLN HB2 . 28102 1 1386 . 1 . 1 146 146 GLN HB3 H 1 1.906 0.02 . 2 . . . . . 146 GLN HB3 . 28102 1 1387 . 1 . 1 146 146 GLN HG3 H 1 2.208 0.02 . 2 . . . . . 146 GLN HG3 . 28102 1 1388 . 1 . 1 146 146 GLN C C 13 178.945 0.3 . 1 . . . . . 146 GLN C . 28102 1 1389 . 1 . 1 146 146 GLN CA C 13 59.155 0.3 . 1 . . . . . 146 GLN CA . 28102 1 1390 . 1 . 1 146 146 GLN CB C 13 27.079 0.3 . 1 . . . . . 146 GLN CB . 28102 1 1391 . 1 . 1 146 146 GLN CG C 13 34.836 0.3 . 1 . . . . . 146 GLN CG . 28102 1 1392 . 1 . 1 146 146 GLN N N 15 122.978 0.2 . 1 . . . . . 146 GLN N . 28102 1 1393 . 1 . 1 147 147 VAL H H 1 8.25 0.02 . 1 . . . . . 147 VAL H . 28102 1 1394 . 1 . 1 147 147 VAL HA H 1 3.618 0.02 . 1 . . . . . 147 VAL HA . 28102 1 1395 . 1 . 1 147 147 VAL HB H 1 2.138 0.02 . 1 . . . . . 147 VAL HB . 28102 1 1396 . 1 . 1 147 147 VAL HG11 H 1 0.905 0.02 . 2 . . . . . 147 VAL QG1 . 28102 1 1397 . 1 . 1 147 147 VAL HG12 H 1 0.905 0.02 . 2 . . . . . 147 VAL QG1 . 28102 1 1398 . 1 . 1 147 147 VAL HG13 H 1 0.905 0.02 . 2 . . . . . 147 VAL QG1 . 28102 1 1399 . 1 . 1 147 147 VAL HG21 H 1 0.957 0.02 . 2 . . . . . 147 VAL QG2 . 28102 1 1400 . 1 . 1 147 147 VAL HG22 H 1 0.957 0.02 . 2 . . . . . 147 VAL QG2 . 28102 1 1401 . 1 . 1 147 147 VAL HG23 H 1 0.957 0.02 . 2 . . . . . 147 VAL QG2 . 28102 1 1402 . 1 . 1 147 147 VAL C C 13 179.589 0.3 . 1 . . . . . 147 VAL C . 28102 1 1403 . 1 . 1 147 147 VAL CA C 13 66.876 0.3 . 1 . . . . . 147 VAL CA . 28102 1 1404 . 1 . 1 147 147 VAL CB C 13 30.974 0.3 . 1 . . . . . 147 VAL CB . 28102 1 1405 . 1 . 1 147 147 VAL CG1 C 13 21.772 0.3 . 2 . . . . . 147 VAL CG1 . 28102 1 1406 . 1 . 1 147 147 VAL CG2 C 13 25.006 0.3 . 2 . . . . . 147 VAL CG2 . 28102 1 1407 . 1 . 1 147 147 VAL N N 15 121.195 0.2 . 1 . . . . . 147 VAL N . 28102 1 1408 . 1 . 1 148 148 LYS H H 1 7.995 0.02 . 1 . . . . . 148 LYS H . 28102 1 1409 . 1 . 1 148 148 LYS HA H 1 4.062 0.02 . 1 . . . . . 148 LYS HA . 28102 1 1410 . 1 . 1 148 148 LYS HB3 H 1 1.876 0.02 . 2 . . . . . 148 LYS HB3 . 28102 1 1411 . 1 . 1 148 148 LYS HG2 H 1 1.493 0.02 . 2 . . . . . 148 LYS HG2 . 28102 1 1412 . 1 . 1 148 148 LYS HG3 H 1 1.342 0.02 . 2 . . . . . 148 LYS HG3 . 28102 1 1413 . 1 . 1 148 148 LYS C C 13 179.365 0.3 . 1 . . . . . 148 LYS C . 28102 1 1414 . 1 . 1 148 148 LYS CA C 13 60.327 0.3 . 1 . . . . . 148 LYS CA . 28102 1 1415 . 1 . 1 148 148 LYS CB C 13 31.701 0.3 . 1 . . . . . 148 LYS CB . 28102 1 1416 . 1 . 1 148 148 LYS CG C 13 25.006 0.3 . 1 . . . . . 148 LYS CG . 28102 1 1417 . 1 . 1 148 148 LYS CD C 13 29.112 0.3 . 1 . . . . . 148 LYS CD . 28102 1 1418 . 1 . 1 148 148 LYS CE C 13 42.052 0.3 . 1 . . . . . 148 LYS CE . 28102 1 1419 . 1 . 1 148 148 LYS N N 15 123.259 0.2 . 1 . . . . . 148 LYS N . 28102 1 1420 . 1 . 1 149 149 GLN H H 1 8.023 0.02 . 1 . . . . . 149 GLN H . 28102 1 1421 . 1 . 1 149 149 GLN HA H 1 4.142 0.02 . 1 . . . . . 149 GLN HA . 28102 1 1422 . 1 . 1 149 149 GLN HB2 H 1 2.057 0.02 . 2 . . . . . 149 GLN HB2 . 28102 1 1423 . 1 . 1 149 149 GLN HG3 H 1 2.319 0.02 . 2 . . . . . 149 GLN HG3 . 28102 1 1424 . 1 . 1 149 149 GLN C C 13 178.762 0.3 . 1 . . . . . 149 GLN C . 28102 1 1425 . 1 . 1 149 149 GLN CA C 13 59.051 0.3 . 1 . . . . . 149 GLN CA . 28102 1 1426 . 1 . 1 149 149 GLN CB C 13 28.035 0.3 . 1 . . . . . 149 GLN CB . 28102 1 1427 . 1 . 1 149 149 GLN CG C 13 33.778 0.3 . 1 . . . . . 149 GLN CG . 28102 1 1428 . 1 . 1 149 149 GLN N N 15 118.895 0.2 . 1 . . . . . 149 GLN N . 28102 1 1429 . 1 . 1 150 150 SER H H 1 8.609 0.02 . 1 . . . . . 150 SER H . 28102 1 1430 . 1 . 1 150 150 SER HA H 1 4.062 0.02 . 1 . . . . . 150 SER HA . 28102 1 1431 . 1 . 1 150 150 SER C C 13 176.837 0.3 . 1 . . . . . 150 SER C . 28102 1 1432 . 1 . 1 150 150 SER CA C 13 63.049 0.3 . 1 . . . . . 150 SER CA . 28102 1 1433 . 1 . 1 150 150 SER CB C 13 62.528 0.3 . 1 . . . . . 150 SER CB . 28102 1 1434 . 1 . 1 150 150 SER N N 15 117.188 0.2 . 1 . . . . . 150 SER N . 28102 1 1435 . 1 . 1 151 151 ALA H H 1 7.633 0.02 . 1 . . . . . 151 ALA H . 28102 1 1436 . 1 . 1 151 151 ALA HA H 1 4.131 0.02 . 1 . . . . . 151 ALA HA . 28102 1 1437 . 1 . 1 151 151 ALA HB1 H 1 1.585 0.02 . 1 . . . . . 151 ALA HB# . 28102 1 1438 . 1 . 1 151 151 ALA HB2 H 1 1.585 0.02 . 1 . . . . . 151 ALA HB# . 28102 1 1439 . 1 . 1 151 151 ALA HB3 H 1 1.585 0.02 . 1 . . . . . 151 ALA HB# . 28102 1 1440 . 1 . 1 151 151 ALA C C 13 180.206 0.3 . 1 . . . . . 151 ALA C . 28102 1 1441 . 1 . 1 151 151 ALA CA C 13 55.68 0.3 . 1 . . . . . 151 ALA CA . 28102 1 1442 . 1 . 1 151 151 ALA CB C 13 18.286 0.3 . 1 . . . . . 151 ALA CB . 28102 1 1443 . 1 . 1 151 151 ALA N N 15 128.306 0.2 . 1 . . . . . 151 ALA N . 28102 1 1444 . 1 . 1 152 152 GLU H H 1 7.534 0.02 . 1 . . . . . 152 GLU H . 28102 1 1445 . 1 . 1 152 152 GLU HA H 1 4.062 0.02 . 1 . . . . . 152 GLU HA . 28102 1 1446 . 1 . 1 152 152 GLU HB3 H 1 2.138 0.02 . 2 . . . . . 152 GLU HB3 . 28102 1 1447 . 1 . 1 152 152 GLU HG3 H 1 2.36 0.02 . 2 . . . . . 152 GLU HG3 . 28102 1 1448 . 1 . 1 152 152 GLU C C 13 178.927 0.3 . 1 . . . . . 152 GLU C . 28102 1 1449 . 1 . 1 152 152 GLU CA C 13 59.332 0.3 . 1 . . . . . 152 GLU CA . 28102 1 1450 . 1 . 1 152 152 GLU CB C 13 29.021 0.3 . 1 . . . . . 152 GLU CB . 28102 1 1451 . 1 . 1 152 152 GLU CG C 13 35.831 0.3 . 1 . . . . . 152 GLU CG . 28102 1 1452 . 1 . 1 152 152 GLU N N 15 120.246 0.2 . 1 . . . . . 152 GLU N . 28102 1 1453 . 1 . 1 153 153 LEU H H 1 8.375 0.02 . 1 . . . . . 153 LEU H . 28102 1 1454 . 1 . 1 153 153 LEU HA H 1 4.182 0.02 . 1 . . . . . 153 LEU HA . 28102 1 1455 . 1 . 1 153 153 LEU HB2 H 1 2.138 0.02 . 2 . . . . . 153 LEU HB2 . 28102 1 1456 . 1 . 1 153 153 LEU HD11 H 1 1.015 0.02 . 2 . . . . . 153 LEU QD1 . 28102 1 1457 . 1 . 1 153 153 LEU HD12 H 1 1.015 0.02 . 2 . . . . . 153 LEU QD1 . 28102 1 1458 . 1 . 1 153 153 LEU HD13 H 1 1.015 0.02 . 2 . . . . . 153 LEU QD1 . 28102 1 1459 . 1 . 1 153 153 LEU HD21 H 1 0.846 0.02 . 2 . . . . . 153 LEU QD2 . 28102 1 1460 . 1 . 1 153 153 LEU HD22 H 1 0.846 0.02 . 2 . . . . . 153 LEU QD2 . 28102 1 1461 . 1 . 1 153 153 LEU HD23 H 1 0.846 0.02 . 2 . . . . . 153 LEU QD2 . 28102 1 1462 . 1 . 1 153 153 LEU C C 13 178.561 0.3 . 1 . . . . . 153 LEU C . 28102 1 1463 . 1 . 1 153 153 LEU CA C 13 58.963 0.3 . 1 . . . . . 153 LEU CA . 28102 1 1464 . 1 . 1 153 153 LEU CB C 13 41.376 0.3 . 1 . . . . . 153 LEU CB . 28102 1 1465 . 1 . 1 153 153 LEU CD1 C 13 23.214 0.3 . 2 . . . . . 153 LEU CD1 . 28102 1 1466 . 1 . 1 153 153 LEU CD2 C 13 25.81 0.3 . 2 . . . . . 153 LEU CD2 . 28102 1 1467 . 1 . 1 153 153 LEU N N 15 118.382 0.2 . 1 . . . . . 153 LEU N . 28102 1 1468 . 1 . 1 154 154 LEU H H 1 7.449 0.02 . 1 . . . . . 154 LEU H . 28102 1 1469 . 1 . 1 154 154 LEU HA H 1 3.471 0.02 . 1 . . . . . 154 LEU HA . 28102 1 1470 . 1 . 1 154 154 LEU HB2 H 1 1.786 0.02 . 2 . . . . . 154 LEU QB . 28102 1 1471 . 1 . 1 154 154 LEU HB3 H 1 1.786 0.02 . 2 . . . . . 154 LEU QB . 28102 1 1472 . 1 . 1 154 154 LEU HD11 H 1 0.773 0.02 . 2 . . . . . 154 LEU QD1 . 28102 1 1473 . 1 . 1 154 154 LEU HD12 H 1 0.773 0.02 . 2 . . . . . 154 LEU QD1 . 28102 1 1474 . 1 . 1 154 154 LEU HD13 H 1 0.773 0.02 . 2 . . . . . 154 LEU QD1 . 28102 1 1475 . 1 . 1 154 154 LEU HD21 H 1 0.666 0.02 . 2 . . . . . 154 LEU QD2 . 28102 1 1476 . 1 . 1 154 154 LEU HD22 H 1 0.666 0.02 . 2 . . . . . 154 LEU QD2 . 28102 1 1477 . 1 . 1 154 154 LEU HD23 H 1 0.666 0.02 . 2 . . . . . 154 LEU QD2 . 28102 1 1478 . 1 . 1 154 154 LEU C C 13 178.561 0.3 . 1 . . . . . 154 LEU C . 28102 1 1479 . 1 . 1 154 154 LEU CA C 13 59.211 0.3 . 1 . . . . . 154 LEU CA . 28102 1 1480 . 1 . 1 154 154 LEU CB C 13 41.594 0.3 . 1 . . . . . 154 LEU CB . 28102 1 1481 . 1 . 1 154 154 LEU CG C 13 26.662 0.3 . 1 . . . . . 154 LEU CG . 28102 1 1482 . 1 . 1 154 154 LEU CD1 C 13 25.38 0.3 . 2 . . . . . 154 LEU CD1 . 28102 1 1483 . 1 . 1 154 154 LEU CD2 C 13 27.017 0.3 . 2 . . . . . 154 LEU CD2 . 28102 1 1484 . 1 . 1 154 154 LEU N N 15 119.102 0.2 . 1 . . . . . 154 LEU N . 28102 1 1485 . 1 . 1 155 155 LYS H H 1 6.911 0.02 . 1 . . . . . 155 LYS H . 28102 1 1486 . 1 . 1 155 155 LYS HA H 1 4.082 0.02 . 1 . . . . . 155 LYS HA . 28102 1 1487 . 1 . 1 155 155 LYS HB3 H 1 1.896 0.02 . 2 . . . . . 155 LYS HB3 . 28102 1 1488 . 1 . 1 155 155 LYS HG2 H 1 1.443 0.02 . 2 . . . . . 155 LYS HG2 . 28102 1 1489 . 1 . 1 155 155 LYS C C 13 180.243 0.3 . 1 . . . . . 155 LYS C . 28102 1 1490 . 1 . 1 155 155 LYS CA C 13 58.826 0.3 . 1 . . . . . 155 LYS CA . 28102 1 1491 . 1 . 1 155 155 LYS CB C 13 32.005 0.3 . 1 . . . . . 155 LYS CB . 28102 1 1492 . 1 . 1 155 155 LYS CG C 13 24.571 0.3 . 1 . . . . . 155 LYS CG . 28102 1 1493 . 1 . 1 155 155 LYS CD C 13 29.05 0.3 . 1 . . . . . 155 LYS CD . 28102 1 1494 . 1 . 1 155 155 LYS N N 15 115.84 0.2 . 1 . . . . . 155 LYS N . 28102 1 1495 . 1 . 1 156 156 ASN H H 1 8.613 0.02 . 1 . . . . . 156 ASN H . 28102 1 1496 . 1 . 1 156 156 ASN HA H 1 4.223 0.02 . 1 . . . . . 156 ASN HA . 28102 1 1497 . 1 . 1 156 156 ASN HB2 H 1 2.631 0.02 . 2 . . . . . 156 ASN HB2 . 28102 1 1498 . 1 . 1 156 156 ASN C C 13 176.496 0.3 . 1 . . . . . 156 ASN C . 28102 1 1499 . 1 . 1 156 156 ASN CA C 13 56.094 0.3 . 1 . . . . . 156 ASN CA . 28102 1 1500 . 1 . 1 156 156 ASN CB C 13 37.604 0.3 . 1 . . . . . 156 ASN CB . 28102 1 1501 . 1 . 1 156 156 ASN N N 15 120.008 0.2 . 1 . . . . . 156 ASN N . 28102 1 1502 . 1 . 1 157 157 TYR H H 1 8.135 0.02 . 1 . . . . . 157 TYR H . 28102 1 1503 . 1 . 1 157 157 TYR HA H 1 4.112 0.02 . 1 . . . . . 157 TYR HA . 28102 1 1504 . 1 . 1 157 157 TYR HB2 H 1 2.44 0.02 . 2 . . . . . 157 TYR HB2 . 28102 1 1505 . 1 . 1 157 157 TYR HB3 H 1 2.783 0.02 . 2 . . . . . 157 TYR HB3 . 28102 1 1506 . 1 . 1 157 157 TYR C C 13 173.188 0.3 . 1 . . . . . 157 TYR C . 28102 1 1507 . 1 . 1 157 157 TYR CA C 13 59.001 0.3 . 1 . . . . . 157 TYR CA . 28102 1 1508 . 1 . 1 157 157 TYR CB C 13 37.258 0.3 . 1 . . . . . 157 TYR CB . 28102 1 1509 . 1 . 1 157 157 TYR N N 15 113.877 0.2 . 1 . . . . . 157 TYR N . 28102 1 1510 . 1 . 1 158 158 ASN H H 1 7.697 0.02 . 1 . . . . . 158 ASN H . 28102 1 1511 . 1 . 1 158 158 ASN C C 13 173.373 0.3 . 1 . . . . . 158 ASN C . 28102 1 1512 . 1 . 1 158 158 ASN CA C 13 54.356 0.3 . 1 . . . . . 158 ASN CA . 28102 1 1513 . 1 . 1 158 158 ASN CB C 13 37.387 0.3 . 1 . . . . . 158 ASN CB . 28102 1 1514 . 1 . 1 158 158 ASN N N 15 118.932 0.2 . 1 . . . . . 158 ASN N . 28102 1 1515 . 1 . 1 159 159 ILE HG21 H 1 0.618 0.02 . 1 . . . . . 159 ILE QG2 . 28102 1 1516 . 1 . 1 159 159 ILE HG22 H 1 0.618 0.02 . 1 . . . . . 159 ILE QG2 . 28102 1 1517 . 1 . 1 159 159 ILE HG23 H 1 0.618 0.02 . 1 . . . . . 159 ILE QG2 . 28102 1 1518 . 1 . 1 159 159 ILE HD11 H 1 -0.026 0.02 . 1 . . . . . 159 ILE QD1 . 28102 1 1519 . 1 . 1 159 159 ILE HD12 H 1 -0.026 0.02 . 1 . . . . . 159 ILE QD1 . 28102 1 1520 . 1 . 1 159 159 ILE HD13 H 1 -0.026 0.02 . 1 . . . . . 159 ILE QD1 . 28102 1 1521 . 1 . 1 159 159 ILE C C 13 175.45 0.3 . 1 . . . . . 159 ILE C . 28102 1 1522 . 1 . 1 159 159 ILE CA C 13 58.949 0.3 . 1 . . . . . 159 ILE CA . 28102 1 1523 . 1 . 1 159 159 ILE CB C 13 34.755 0.3 . 1 . . . . . 159 ILE CB . 28102 1 1524 . 1 . 1 159 159 ILE CG1 C 13 24.663 0.3 . 1 . . . . . 159 ILE CG1 . 28102 1 1525 . 1 . 1 159 159 ILE CG2 C 13 17.319 0.3 . 1 . . . . . 159 ILE CG2 . 28102 1 1526 . 1 . 1 159 159 ILE CD1 C 13 9.626 0.3 . 1 . . . . . 159 ILE CD1 . 28102 1 1527 . 1 . 1 160 160 ASP H H 1 8.418 0.02 . 1 . . . . . 160 ASP H . 28102 1 1528 . 1 . 1 160 160 ASP HA H 1 4.605 0.02 . 1 . . . . . 160 ASP HA . 28102 1 1529 . 1 . 1 160 160 ASP HB2 H 1 2.38 0.02 . 2 . . . . . 160 ASP HB2 . 28102 1 1530 . 1 . 1 160 160 ASP HB3 H 1 2.662 0.02 . 2 . . . . . 160 ASP HB3 . 28102 1 1531 . 1 . 1 160 160 ASP C C 13 175.376 0.3 . 1 . . . . . 160 ASP C . 28102 1 1532 . 1 . 1 160 160 ASP CA C 13 53.501 0.3 . 1 . . . . . 160 ASP CA . 28102 1 1533 . 1 . 1 160 160 ASP CB C 13 41.755 0.3 . 1 . . . . . 160 ASP CB . 28102 1 1534 . 1 . 1 160 160 ASP N N 15 125.656 0.2 . 1 . . . . . 160 ASP N . 28102 1 1535 . 1 . 1 161 161 GLY H H 1 7.533 0.02 . 1 . . . . . 161 GLY H . 28102 1 1536 . 1 . 1 161 161 GLY HA2 H 1 4.282 0.02 . 2 . . . . . 161 GLY HA2 . 28102 1 1537 . 1 . 1 161 161 GLY HA3 H 1 3.9 0.02 . 2 . . . . . 161 GLY HA3 . 28102 1 1538 . 1 . 1 161 161 GLY C C 13 172.32 0.3 . 1 . . . . . 161 GLY C . 28102 1 1539 . 1 . 1 161 161 GLY CA C 13 45.461 0.3 . 1 . . . . . 161 GLY CA . 28102 1 1540 . 1 . 1 161 161 GLY N N 15 106.517 0.2 . 1 . . . . . 161 GLY N . 28102 1 1541 . 1 . 1 162 162 VAL H H 1 8.876 0.02 . 1 . . . . . 162 VAL H . 28102 1 1542 . 1 . 1 162 162 VAL HA H 1 4.434 0.02 . 1 . . . . . 162 VAL HA . 28102 1 1543 . 1 . 1 162 162 VAL HG11 H 1 1.321 0.02 . 2 . . . . . 162 VAL QG1 . 28102 1 1544 . 1 . 1 162 162 VAL HG12 H 1 1.321 0.02 . 2 . . . . . 162 VAL QG1 . 28102 1 1545 . 1 . 1 162 162 VAL HG13 H 1 1.321 0.02 . 2 . . . . . 162 VAL QG1 . 28102 1 1546 . 1 . 1 162 162 VAL HG21 H 1 0.76 0.02 . 2 . . . . . 162 VAL QG2 . 28102 1 1547 . 1 . 1 162 162 VAL HG22 H 1 0.76 0.02 . 2 . . . . . 162 VAL QG2 . 28102 1 1548 . 1 . 1 162 162 VAL HG23 H 1 0.76 0.02 . 2 . . . . . 162 VAL QG2 . 28102 1 1549 . 1 . 1 162 162 VAL C C 13 172.32 0.3 . 1 . . . . . 162 VAL C . 28102 1 1550 . 1 . 1 162 162 VAL CA C 13 58.029 0.3 . 1 . . . . . 162 VAL CA . 28102 1 1551 . 1 . 1 162 162 VAL CB C 13 36.018 0.3 . 1 . . . . . 162 VAL CB . 28102 1 1552 . 1 . 1 162 162 VAL CG1 C 13 19.053 0.3 . 2 . . . . . 162 VAL CG1 . 28102 1 1553 . 1 . 1 162 162 VAL CG2 C 13 24.114 0.3 . 2 . . . . . 162 VAL CG2 . 28102 1 1554 . 1 . 1 162 162 VAL N N 15 112.445 0.2 . 1 . . . . . 162 VAL N . 28102 1 1555 . 1 . 1 163 163 PRO HA H 1 5.381 0.02 . 1 . . . . . 163 PRO HA . 28102 1 1556 . 1 . 1 163 163 PRO HB2 H 1 2.192 0.02 . 2 . . . . . 163 PRO HB2 . 28102 1 1557 . 1 . 1 163 163 PRO HB3 H 1 2.601 0.02 . 2 . . . . . 163 PRO HB3 . 28102 1 1558 . 1 . 1 163 163 PRO HG2 H 1 1.927 0.02 . 2 . . . . . 163 PRO HG2 . 28102 1 1559 . 1 . 1 163 163 PRO HG3 H 1 2.192 0.02 . 2 . . . . . 163 PRO HG3 . 28102 1 1560 . 1 . 1 163 163 PRO C C 13 176.623 0.3 . 1 . . . . . 163 PRO C . 28102 1 1561 . 1 . 1 163 163 PRO CA C 13 63.084 0.3 . 1 . . . . . 163 PRO CA . 28102 1 1562 . 1 . 1 163 163 PRO CB C 13 33.908 0.3 . 1 . . . . . 163 PRO CB . 28102 1 1563 . 1 . 1 164 164 THR H H 1 8.631 0.02 . 1 . . . . . 164 THR H . 28102 1 1564 . 1 . 1 164 164 THR HA H 1 4.941 0.02 . 1 . . . . . 164 THR HA . 28102 1 1565 . 1 . 1 164 164 THR HB H 1 3.956 0.02 . 1 . . . . . 164 THR HB . 28102 1 1566 . 1 . 1 164 164 THR HG21 H 1 1.329 0.02 . 1 . . . . . 164 THR QG2 . 28102 1 1567 . 1 . 1 164 164 THR HG22 H 1 1.329 0.02 . 1 . . . . . 164 THR QG2 . 28102 1 1568 . 1 . 1 164 164 THR HG23 H 1 1.329 0.02 . 1 . . . . . 164 THR QG2 . 28102 1 1569 . 1 . 1 164 164 THR C C 13 171.927 0.3 . 1 . . . . . 164 THR C . 28102 1 1570 . 1 . 1 164 164 THR CA C 13 63.26 0.3 . 1 . . . . . 164 THR CA . 28102 1 1571 . 1 . 1 164 164 THR CB C 13 72.574 0.3 . 1 . . . . . 164 THR CB . 28102 1 1572 . 1 . 1 164 164 THR CG2 C 13 22.75 0.3 . 1 . . . . . 164 THR CG2 . 28102 1 1573 . 1 . 1 164 164 THR N N 15 119.291 0.2 . 1 . . . . . 164 THR N . 28102 1 1574 . 1 . 1 165 165 ILE H H 1 9.385 0.02 . 1 . . . . . 165 ILE H . 28102 1 1575 . 1 . 1 165 165 ILE HA H 1 5.546 0.02 . 1 . . . . . 165 ILE HA . 28102 1 1576 . 1 . 1 165 165 ILE HB H 1 1.537 0.02 . 1 . . . . . 165 ILE HB . 28102 1 1577 . 1 . 1 165 165 ILE HG12 H 1 1.311 0.02 . 2 . . . . . 165 ILE HG12 . 28102 1 1578 . 1 . 1 165 165 ILE HG21 H 1 0.719 0.02 . 1 . . . . . 165 ILE QG2 . 28102 1 1579 . 1 . 1 165 165 ILE HG22 H 1 0.719 0.02 . 1 . . . . . 165 ILE QG2 . 28102 1 1580 . 1 . 1 165 165 ILE HG23 H 1 0.719 0.02 . 1 . . . . . 165 ILE QG2 . 28102 1 1581 . 1 . 1 165 165 ILE HD11 H 1 0.882 0.02 . 1 . . . . . 165 ILE QD1 . 28102 1 1582 . 1 . 1 165 165 ILE HD12 H 1 0.882 0.02 . 1 . . . . . 165 ILE QD1 . 28102 1 1583 . 1 . 1 165 165 ILE HD13 H 1 0.882 0.02 . 1 . . . . . 165 ILE QD1 . 28102 1 1584 . 1 . 1 165 165 ILE C C 13 174.047 0.3 . 1 . . . . . 165 ILE C . 28102 1 1585 . 1 . 1 165 165 ILE CA C 13 59.197 0.3 . 1 . . . . . 165 ILE CA . 28102 1 1586 . 1 . 1 165 165 ILE CB C 13 38.987 0.3 . 1 . . . . . 165 ILE CB . 28102 1 1587 . 1 . 1 165 165 ILE CG1 C 13 28.979 0.3 . 1 . . . . . 165 ILE CG1 . 28102 1 1588 . 1 . 1 165 165 ILE CG2 C 13 21.382 0.3 . 1 . . . . . 165 ILE CG2 . 28102 1 1589 . 1 . 1 165 165 ILE CD1 C 13 14.244 0.3 . 1 . . . . . 165 ILE CD1 . 28102 1 1590 . 1 . 1 165 165 ILE N N 15 128.482 0.2 . 1 . . . . . 165 ILE N . 28102 1 1591 . 1 . 1 166 166 VAL H H 1 9.521 0.02 . 1 . . . . . 166 VAL H . 28102 1 1592 . 1 . 1 166 166 VAL HA H 1 5.169 0.02 . 1 . . . . . 166 VAL HA . 28102 1 1593 . 1 . 1 166 166 VAL HB H 1 1.937 0.02 . 1 . . . . . 166 VAL HB . 28102 1 1594 . 1 . 1 166 166 VAL HG11 H 1 0.996 0.02 . 2 . . . . . 166 VAL QG1 . 28102 1 1595 . 1 . 1 166 166 VAL HG12 H 1 0.996 0.02 . 2 . . . . . 166 VAL QG1 . 28102 1 1596 . 1 . 1 166 166 VAL HG13 H 1 0.996 0.02 . 2 . . . . . 166 VAL QG1 . 28102 1 1597 . 1 . 1 166 166 VAL HG21 H 1 1.021 0.02 . 2 . . . . . 166 VAL QG2 . 28102 1 1598 . 1 . 1 166 166 VAL HG22 H 1 1.021 0.02 . 2 . . . . . 166 VAL QG2 . 28102 1 1599 . 1 . 1 166 166 VAL HG23 H 1 1.021 0.02 . 2 . . . . . 166 VAL QG2 . 28102 1 1600 . 1 . 1 166 166 VAL C C 13 175.692 0.3 . 1 . . . . . 166 VAL C . 28102 1 1601 . 1 . 1 166 166 VAL CA C 13 60.991 0.3 . 1 . . . . . 166 VAL CA . 28102 1 1602 . 1 . 1 166 166 VAL CB C 13 33.766 0.3 . 1 . . . . . 166 VAL CB . 28102 1 1603 . 1 . 1 166 166 VAL CG1 C 13 21.458 0.3 . 2 . . . . . 166 VAL CG1 . 28102 1 1604 . 1 . 1 166 166 VAL CG2 C 13 21.583 0.3 . 2 . . . . . 166 VAL CG2 . 28102 1 1605 . 1 . 1 166 166 VAL N N 15 126.136 0.2 . 1 . . . . . 166 VAL N . 28102 1 1606 . 1 . 1 167 167 VAL H H 1 9.797 0.02 . 1 . . . . . 167 VAL H . 28102 1 1607 . 1 . 1 167 167 VAL HA H 1 4.899 0.02 . 1 . . . . . 167 VAL HA . 28102 1 1608 . 1 . 1 167 167 VAL HB H 1 2.047 0.02 . 1 . . . . . 167 VAL HB . 28102 1 1609 . 1 . 1 167 167 VAL HG11 H 1 0.901 0.02 . 2 . . . . . 167 VAL QG1 . 28102 1 1610 . 1 . 1 167 167 VAL HG12 H 1 0.901 0.02 . 2 . . . . . 167 VAL QG1 . 28102 1 1611 . 1 . 1 167 167 VAL HG13 H 1 0.901 0.02 . 2 . . . . . 167 VAL QG1 . 28102 1 1612 . 1 . 1 167 167 VAL HG21 H 1 0.819 0.02 . 2 . . . . . 167 VAL QG2 . 28102 1 1613 . 1 . 1 167 167 VAL HG22 H 1 0.819 0.02 . 2 . . . . . 167 VAL QG2 . 28102 1 1614 . 1 . 1 167 167 VAL HG23 H 1 0.819 0.02 . 2 . . . . . 167 VAL QG2 . 28102 1 1615 . 1 . 1 167 167 VAL C C 13 175.217 0.3 . 1 . . . . . 167 VAL C . 28102 1 1616 . 1 . 1 167 167 VAL CA C 13 61.8 0.3 . 1 . . . . . 167 VAL CA . 28102 1 1617 . 1 . 1 167 167 VAL CB C 13 34.291 0.3 . 1 . . . . . 167 VAL CB . 28102 1 1618 . 1 . 1 167 167 VAL CG1 C 13 21.464 0.3 . 2 . . . . . 167 VAL CG1 . 28102 1 1619 . 1 . 1 167 167 VAL CG2 C 13 22.132 0.3 . 2 . . . . . 167 VAL CG2 . 28102 1 1620 . 1 . 1 167 167 VAL N N 15 128.606 0.2 . 1 . . . . . 167 VAL N . 28102 1 1621 . 1 . 1 168 168 GLN H H 1 10.071 0.02 . 1 . . . . . 168 GLN H . 28102 1 1622 . 1 . 1 168 168 GLN HA H 1 4.364 0.02 . 1 . . . . . 168 GLN HA . 28102 1 1623 . 1 . 1 168 168 GLN HB2 H 1 1.836 0.02 . 2 . . . . . 168 GLN HB2 . 28102 1 1624 . 1 . 1 168 168 GLN HG2 H 1 2.551 0.02 . 2 . . . . . 168 GLN HG2 . 28102 1 1625 . 1 . 1 168 168 GLN HG3 H 1 2.752 0.02 . 2 . . . . . 168 GLN HG3 . 28102 1 1626 . 1 . 1 168 168 GLN C C 13 175.162 0.3 . 1 . . . . . 168 GLN C . 28102 1 1627 . 1 . 1 168 168 GLN CA C 13 55.838 0.3 . 1 . . . . . 168 GLN CA . 28102 1 1628 . 1 . 1 168 168 GLN CB C 13 30.219 0.3 . 1 . . . . . 168 GLN CB . 28102 1 1629 . 1 . 1 168 168 GLN CG C 13 33.032 0.3 . 1 . . . . . 168 GLN CG . 28102 1 1630 . 1 . 1 168 168 GLN N N 15 133.291 0.2 . 1 . . . . . 168 GLN N . 28102 1 1631 . 1 . 1 169 169 GLY H H 1 9.739 0.02 . 1 . . . . . 169 GLY H . 28102 1 1632 . 1 . 1 169 169 GLY HA2 H 1 4.122 0.02 . 2 . . . . . 169 GLY HA2 . 28102 1 1633 . 1 . 1 169 169 GLY HA3 H 1 3.649 0.02 . 2 . . . . . 169 GLY HA3 . 28102 1 1634 . 1 . 1 169 169 GLY C C 13 172.805 0.3 . 1 . . . . . 169 GLY C . 28102 1 1635 . 1 . 1 169 169 GLY CA C 13 47.708 0.3 . 1 . . . . . 169 GLY CA . 28102 1 1636 . 1 . 1 169 169 GLY N N 15 107.178 0.2 . 1 . . . . . 169 GLY N . 28102 1 1637 . 1 . 1 170 170 LYS H H 1 7.401 0.02 . 1 . . . . . 170 LYS H . 28102 1 1638 . 1 . 1 170 170 LYS HA H 1 4.575 0.02 . 1 . . . . . 170 LYS HA . 28102 1 1639 . 1 . 1 170 170 LYS HB3 H 1 1.161 0.02 . 2 . . . . . 170 LYS HB3 . 28102 1 1640 . 1 . 1 170 170 LYS HG2 H 1 0.648 0.02 . 2 . . . . . 170 LYS HG2 . 28102 1 1641 . 1 . 1 170 170 LYS C C 13 173.792 0.3 . 1 . . . . . 170 LYS C . 28102 1 1642 . 1 . 1 170 170 LYS CA C 13 58.081 0.3 . 1 . . . . . 170 LYS CA . 28102 1 1643 . 1 . 1 170 170 LYS CB C 13 37.39 0.3 . 1 . . . . . 170 LYS CB . 28102 1 1644 . 1 . 1 170 170 LYS CG C 13 25.317 0.3 . 1 . . . . . 170 LYS CG . 28102 1 1645 . 1 . 1 170 170 LYS CD C 13 29.983 0.3 . 1 . . . . . 170 LYS CD . 28102 1 1646 . 1 . 1 170 170 LYS N N 15 115.009 0.2 . 1 . . . . . 170 LYS N . 28102 1 1647 . 1 . 1 171 171 TYR H H 1 7.792 0.02 . 1 . . . . . 171 TYR H . 28102 1 1648 . 1 . 1 171 171 TYR HA H 1 5.763 0.02 . 1 . . . . . 171 TYR HA . 28102 1 1649 . 1 . 1 171 171 TYR HB2 H 1 2.672 0.02 . 2 . . . . . 171 TYR HB2 . 28102 1 1650 . 1 . 1 171 171 TYR C C 13 174.851 0.3 . 1 . . . . . 171 TYR C . 28102 1 1651 . 1 . 1 171 171 TYR CA C 13 56.005 0.3 . 1 . . . . . 171 TYR CA . 28102 1 1652 . 1 . 1 171 171 TYR CB C 13 42.073 0.3 . 1 . . . . . 171 TYR CB . 28102 1 1653 . 1 . 1 171 171 TYR N N 15 118.043 0.2 . 1 . . . . . 171 TYR N . 28102 1 1654 . 1 . 1 172 172 LYS H H 1 9.278 0.02 . 1 . . . . . 172 LYS H . 28102 1 1655 . 1 . 1 172 172 LYS HA H 1 5.595 0.02 . 1 . . . . . 172 LYS HA . 28102 1 1656 . 1 . 1 172 172 LYS HB2 H 1 1.594 0.02 . 2 . . . . . 172 LYS HB2 . 28102 1 1657 . 1 . 1 172 172 LYS HB3 H 1 1.342 0.02 . 2 . . . . . 172 LYS HB3 . 28102 1 1658 . 1 . 1 172 172 LYS C C 13 175.404 0.3 . 1 . . . . . 172 LYS C . 28102 1 1659 . 1 . 1 172 172 LYS CA C 13 54.811 0.3 . 1 . . . . . 172 LYS CA . 28102 1 1660 . 1 . 1 172 172 LYS CB C 13 36.574 0.3 . 1 . . . . . 172 LYS CB . 28102 1 1661 . 1 . 1 172 172 LYS CG C 13 25.753 0.3 . 1 . . . . . 172 LYS CG . 28102 1 1662 . 1 . 1 172 172 LYS CD C 13 30.108 0.3 . 1 . . . . . 172 LYS CD . 28102 1 1663 . 1 . 1 172 172 LYS CE C 13 41.616 0.3 . 1 . . . . . 172 LYS CE . 28102 1 1664 . 1 . 1 172 172 LYS N N 15 121.815 0.2 . 1 . . . . . 172 LYS N . 28102 1 1665 . 1 . 1 173 173 THR H H 1 9.073 0.02 . 1 . . . . . 173 THR H . 28102 1 1666 . 1 . 1 173 173 THR HA H 1 4.012 0.02 . 1 . . . . . 173 THR HA . 28102 1 1667 . 1 . 1 173 173 THR HB H 1 3.901 0.02 . 1 . . . . . 173 THR HB . 28102 1 1668 . 1 . 1 173 173 THR HG21 H 1 0.795 0.02 . 1 . . . . . 173 THR QG2 . 28102 1 1669 . 1 . 1 173 173 THR HG22 H 1 0.795 0.02 . 1 . . . . . 173 THR QG2 . 28102 1 1670 . 1 . 1 173 173 THR HG23 H 1 0.795 0.02 . 1 . . . . . 173 THR QG2 . 28102 1 1671 . 1 . 1 173 173 THR C C 13 171.708 0.3 . 1 . . . . . 173 THR C . 28102 1 1672 . 1 . 1 173 173 THR CA C 13 61.592 0.3 . 1 . . . . . 173 THR CA . 28102 1 1673 . 1 . 1 173 173 THR CB C 13 69.028 0.3 . 1 . . . . . 173 THR CB . 28102 1 1674 . 1 . 1 173 173 THR CG2 C 13 18.688 0.3 . 1 . . . . . 173 THR CG2 . 28102 1 1675 . 1 . 1 173 173 THR N N 15 115.189 0.2 . 1 . . . . . 173 THR N . 28102 1 1676 . 1 . 1 174 174 GLY H H 1 8.512 0.02 . 1 . . . . . 174 GLY H . 28102 1 1677 . 1 . 1 174 174 GLY C C 13 171.525 0.3 . 1 . . . . . 174 GLY C . 28102 1 1678 . 1 . 1 174 174 GLY CA C 13 44.852 0.3 . 1 . . . . . 174 GLY CA . 28102 1 1679 . 1 . 1 174 174 GLY N N 15 108.33 0.2 . 1 . . . . . 174 GLY N . 28102 1 1680 . 1 . 1 175 175 PRO HA H 1 4.371 0.02 . 1 . . . . . 175 PRO HA . 28102 1 1681 . 1 . 1 175 175 PRO HB2 H 1 1.755 0.02 . 2 . . . . . 175 PRO HB2 . 28102 1 1682 . 1 . 1 175 175 PRO C C 13 177.301 0.3 . 1 . . . . . 175 PRO C . 28102 1 1683 . 1 . 1 175 175 PRO CA C 13 64.952 0.3 . 1 . . . . . 175 PRO CA . 28102 1 1684 . 1 . 1 175 175 PRO CB C 13 30.787 0.3 . 1 . . . . . 175 PRO CB . 28102 1 1685 . 1 . 1 175 175 PRO CG C 13 27.37 0.3 . 1 . . . . . 175 PRO CG . 28102 1 1686 . 1 . 1 175 175 PRO CD C 13 48.584 0.3 . 1 . . . . . 175 PRO CD . 28102 1 1687 . 1 . 1 176 176 ALA H H 1 8.551 0.02 . 1 . . . . . 176 ALA H . 28102 1 1688 . 1 . 1 176 176 ALA HA H 1 3.988 0.02 . 1 . . . . . 176 ALA HA . 28102 1 1689 . 1 . 1 176 176 ALA HB1 H 1 1.008 0.02 . 1 . . . . . 176 ALA HB# . 28102 1 1690 . 1 . 1 176 176 ALA HB2 H 1 1.008 0.02 . 1 . . . . . 176 ALA HB# . 28102 1 1691 . 1 . 1 176 176 ALA HB3 H 1 1.008 0.02 . 1 . . . . . 176 ALA HB# . 28102 1 1692 . 1 . 1 176 176 ALA C C 13 178.379 0.3 . 1 . . . . . 176 ALA C . 28102 1 1693 . 1 . 1 176 176 ALA CA C 13 54.786 0.3 . 1 . . . . . 176 ALA CA . 28102 1 1694 . 1 . 1 176 176 ALA CB C 13 18.378 0.3 . 1 . . . . . 176 ALA CB . 28102 1 1695 . 1 . 1 176 176 ALA N N 15 120.587 0.2 . 1 . . . . . 176 ALA N . 28102 1 1696 . 1 . 1 177 177 TYR H H 1 7.807 0.02 . 1 . . . . . 177 TYR H . 28102 1 1697 . 1 . 1 177 177 TYR HA H 1 4.201 0.02 . 1 . . . . . 177 TYR HA . 28102 1 1698 . 1 . 1 177 177 TYR HB2 H 1 3.105 0.02 . 2 . . . . . 177 TYR HB2 . 28102 1 1699 . 1 . 1 177 177 TYR HB3 H 1 3.336 0.02 . 2 . . . . . 177 TYR HB3 . 28102 1 1700 . 1 . 1 177 177 TYR C C 13 176.514 0.3 . 1 . . . . . 177 TYR C . 28102 1 1701 . 1 . 1 177 177 TYR CA C 13 60.198 0.3 . 1 . . . . . 177 TYR CA . 28102 1 1702 . 1 . 1 177 177 TYR CB C 13 38.731 0.3 . 1 . . . . . 177 TYR CB . 28102 1 1703 . 1 . 1 177 177 TYR N N 15 113.95 0.2 . 1 . . . . . 177 TYR N . 28102 1 1704 . 1 . 1 178 178 THR H H 1 7.467 0.02 . 1 . . . . . 178 THR H . 28102 1 1705 . 1 . 1 178 178 THR HA H 1 4.245 0.02 . 1 . . . . . 178 THR HA . 28102 1 1706 . 1 . 1 178 178 THR HB H 1 4.288 0.02 . 1 . . . . . 178 THR HB . 28102 1 1707 . 1 . 1 178 178 THR HG21 H 1 1.26 0.02 . 1 . . . . . 178 THR QG2 . 28102 1 1708 . 1 . 1 178 178 THR HG22 H 1 1.26 0.02 . 1 . . . . . 178 THR QG2 . 28102 1 1709 . 1 . 1 178 178 THR HG23 H 1 1.26 0.02 . 1 . . . . . 178 THR QG2 . 28102 1 1710 . 1 . 1 178 178 THR C C 13 175.711 0.3 . 1 . . . . . 178 THR C . 28102 1 1711 . 1 . 1 178 178 THR CA C 13 62.294 0.3 . 1 . . . . . 178 THR CA . 28102 1 1712 . 1 . 1 178 178 THR CB C 13 71.198 0.3 . 1 . . . . . 178 THR CB . 28102 1 1713 . 1 . 1 178 178 THR CG2 C 13 22.868 0.3 . 1 . . . . . 178 THR CG2 . 28102 1 1714 . 1 . 1 178 178 THR N N 15 104.823 0.2 . 1 . . . . . 178 THR N . 28102 1 1715 . 1 . 1 179 179 ASN H H 1 8.495 0.02 . 1 . . . . . 179 ASN H . 28102 1 1716 . 1 . 1 179 179 ASN HA H 1 4.384 0.02 . 1 . . . . . 179 ASN HA . 28102 1 1717 . 1 . 1 179 179 ASN HB2 H 1 2.853 0.02 . 2 . . . . . 179 ASN HB2 . 28102 1 1718 . 1 . 1 179 179 ASN HB3 H 1 2.964 0.02 . 2 . . . . . 179 ASN HB3 . 28102 1 1719 . 1 . 1 179 179 ASN C C 13 174.376 0.3 . 1 . . . . . 179 ASN C . 28102 1 1720 . 1 . 1 179 179 ASN CA C 13 55.684 0.3 . 1 . . . . . 179 ASN CA . 28102 1 1721 . 1 . 1 179 179 ASN CB C 13 38.347 0.3 . 1 . . . . . 179 ASN CB . 28102 1 1722 . 1 . 1 179 179 ASN N N 15 117.708 0.2 . 1 . . . . . 179 ASN N . 28102 1 1723 . 1 . 1 180 180 SER H H 1 7.771 0.02 . 1 . . . . . 180 SER H . 28102 1 1724 . 1 . 1 180 180 SER C C 13 175.112 0.3 . 1 . . . . . 180 SER C . 28102 1 1725 . 1 . 1 180 180 SER CA C 13 57.563 0.3 . 1 . . . . . 180 SER CA . 28102 1 1726 . 1 . 1 180 180 SER CB C 13 65.521 0.3 . 1 . . . . . 180 SER CB . 28102 1 1727 . 1 . 1 180 180 SER N N 15 109.793 0.2 . 1 . . . . . 180 SER N . 28102 1 1728 . 1 . 1 181 181 LEU H H 1 9.014 0.02 . 1 . . . . . 181 LEU H . 28102 1 1729 . 1 . 1 181 181 LEU HA H 1 4.024 0.02 . 1 . . . . . 181 LEU HA . 28102 1 1730 . 1 . 1 181 181 LEU HB2 H 1 1.614 0.02 . 2 . . . . . 181 LEU HB2 . 28102 1 1731 . 1 . 1 181 181 LEU HB3 H 1 1.901 0.02 . 2 . . . . . 181 LEU HB3 . 28102 1 1732 . 1 . 1 181 181 LEU HD11 H 1 0.604 0.02 . 2 . . . . . 181 LEU QD1 . 28102 1 1733 . 1 . 1 181 181 LEU HD12 H 1 0.604 0.02 . 2 . . . . . 181 LEU QD1 . 28102 1 1734 . 1 . 1 181 181 LEU HD13 H 1 0.604 0.02 . 2 . . . . . 181 LEU QD1 . 28102 1 1735 . 1 . 1 181 181 LEU HD21 H 1 0.859 0.02 . 2 . . . . . 181 LEU QD2 . 28102 1 1736 . 1 . 1 181 181 LEU HD22 H 1 0.859 0.02 . 2 . . . . . 181 LEU QD2 . 28102 1 1737 . 1 . 1 181 181 LEU HD23 H 1 0.859 0.02 . 2 . . . . . 181 LEU QD2 . 28102 1 1738 . 1 . 1 181 181 LEU C C 13 178.543 0.3 . 1 . . . . . 181 LEU C . 28102 1 1739 . 1 . 1 181 181 LEU CA C 13 58.65 0.3 . 1 . . . . . 181 LEU CA . 28102 1 1740 . 1 . 1 181 181 LEU CB C 13 40.163 0.3 . 1 . . . . . 181 LEU CB . 28102 1 1741 . 1 . 1 181 181 LEU CG C 13 26.932 0.3 . 1 . . . . . 181 LEU CG . 28102 1 1742 . 1 . 1 181 181 LEU CD1 C 13 22.331 0.3 . 2 . . . . . 181 LEU CD1 . 28102 1 1743 . 1 . 1 181 181 LEU CD2 C 13 25.627 0.3 . 2 . . . . . 181 LEU CD2 . 28102 1 1744 . 1 . 1 181 181 LEU N N 15 128.282 0.2 . 1 . . . . . 181 LEU N . 28102 1 1745 . 1 . 1 182 182 GLU H H 1 9.044 0.02 . 1 . . . . . 182 GLU H . 28102 1 1746 . 1 . 1 182 182 GLU HA H 1 4.001 0.02 . 1 . . . . . 182 GLU HA . 28102 1 1747 . 1 . 1 182 182 GLU HB3 H 1 1.937 0.02 . 2 . . . . . 182 GLU HB3 . 28102 1 1748 . 1 . 1 182 182 GLU HG3 H 1 2.229 0.02 . 2 . . . . . 182 GLU HG3 . 28102 1 1749 . 1 . 1 182 182 GLU C C 13 179.84 0.3 . 1 . . . . . 182 GLU C . 28102 1 1750 . 1 . 1 182 182 GLU CA C 13 60.035 0.3 . 1 . . . . . 182 GLU CA . 28102 1 1751 . 1 . 1 182 182 GLU CB C 13 28.744 0.3 . 1 . . . . . 182 GLU CB . 28102 1 1752 . 1 . 1 182 182 GLU CG C 13 36.142 0.3 . 1 . . . . . 182 GLU CG . 28102 1 1753 . 1 . 1 182 182 GLU N N 15 120.803 0.2 . 1 . . . . . 182 GLU N . 28102 1 1754 . 1 . 1 183 183 GLY H H 1 8.605 0.02 . 1 . . . . . 183 GLY H . 28102 1 1755 . 1 . 1 183 183 GLY HA2 H 1 3.729 0.02 . 2 . . . . . 183 GLY HA2 . 28102 1 1756 . 1 . 1 183 183 GLY HA3 H 1 3.89 0.02 . 2 . . . . . 183 GLY HA3 . 28102 1 1757 . 1 . 1 183 183 GLY C C 13 176.295 0.3 . 1 . . . . . 183 GLY C . 28102 1 1758 . 1 . 1 183 183 GLY CA C 13 47.013 0.3 . 1 . . . . . 183 GLY CA . 28102 1 1759 . 1 . 1 183 183 GLY N N 15 107.192 0.2 . 1 . . . . . 183 GLY N . 28102 1 1760 . 1 . 1 184 184 THR H H 1 7.458 0.02 . 1 . . . . . 184 THR H . 28102 1 1761 . 1 . 1 184 184 THR HA H 1 3.717 0.02 . 1 . . . . . 184 THR HA . 28102 1 1762 . 1 . 1 184 184 THR HB H 1 3.729 0.02 . 1 . . . . . 184 THR HB . 28102 1 1763 . 1 . 1 184 184 THR HG21 H 1 0.874 0.02 . 1 . . . . . 184 THR QG2 . 28102 1 1764 . 1 . 1 184 184 THR HG22 H 1 0.874 0.02 . 1 . . . . . 184 THR QG2 . 28102 1 1765 . 1 . 1 184 184 THR HG23 H 1 0.874 0.02 . 1 . . . . . 184 THR QG2 . 28102 1 1766 . 1 . 1 184 184 THR C C 13 175.143 0.3 . 1 . . . . . 184 THR C . 28102 1 1767 . 1 . 1 184 184 THR CA C 13 68.213 0.3 . 1 . . . . . 184 THR CA . 28102 1 1768 . 1 . 1 184 184 THR CB C 13 67.355 0.3 . 1 . . . . . 184 THR CB . 28102 1 1769 . 1 . 1 184 184 THR CG2 C 13 22.224 0.3 . 1 . . . . . 184 THR CG2 . 28102 1 1770 . 1 . 1 184 184 THR N N 15 117.735 0.2 . 1 . . . . . 184 THR N . 28102 1 1771 . 1 . 1 185 185 ALA H H 1 7.36 0.02 . 1 . . . . . 185 ALA H . 28102 1 1772 . 1 . 1 185 185 ALA HA H 1 3.398 0.02 . 1 . . . . . 185 ALA HA . 28102 1 1773 . 1 . 1 185 185 ALA HB1 H 1 1.376 0.02 . 1 . . . . . 185 ALA HB# . 28102 1 1774 . 1 . 1 185 185 ALA HB2 H 1 1.376 0.02 . 1 . . . . . 185 ALA HB# . 28102 1 1775 . 1 . 1 185 185 ALA HB3 H 1 1.376 0.02 . 1 . . . . . 185 ALA HB# . 28102 1 1776 . 1 . 1 185 185 ALA C C 13 177.995 0.3 . 1 . . . . . 185 ALA C . 28102 1 1777 . 1 . 1 185 185 ALA CA C 13 56.04 0.3 . 1 . . . . . 185 ALA CA . 28102 1 1778 . 1 . 1 185 185 ALA CB C 13 17.571 0.3 . 1 . . . . . 185 ALA CB . 28102 1 1779 . 1 . 1 185 185 ALA N N 15 123.088 0.2 . 1 . . . . . 185 ALA N . 28102 1 1780 . 1 . 1 186 186 GLN H H 1 7.559 0.02 . 1 . . . . . 186 GLN H . 28102 1 1781 . 1 . 1 186 186 GLN HA H 1 4.092 0.02 . 1 . . . . . 186 GLN HA . 28102 1 1782 . 1 . 1 186 186 GLN HB3 H 1 2.088 0.02 . 2 . . . . . 186 GLN HB3 . 28102 1 1783 . 1 . 1 186 186 GLN HG3 H 1 2.43 0.02 . 2 . . . . . 186 GLN HG3 . 28102 1 1784 . 1 . 1 186 186 GLN C C 13 179.749 0.3 . 1 . . . . . 186 GLN C . 28102 1 1785 . 1 . 1 186 186 GLN CA C 13 59.353 0.3 . 1 . . . . . 186 GLN CA . 28102 1 1786 . 1 . 1 186 186 GLN CB C 13 28.183 0.3 . 1 . . . . . 186 GLN CB . 28102 1 1787 . 1 . 1 186 186 GLN CG C 13 33.965 0.3 . 1 . . . . . 186 GLN CG . 28102 1 1788 . 1 . 1 186 186 GLN N N 15 115.84 0.2 . 1 . . . . . 186 GLN N . 28102 1 1789 . 1 . 1 187 187 VAL H H 1 7.871 0.02 . 1 . . . . . 187 VAL H . 28102 1 1790 . 1 . 1 187 187 VAL HA H 1 3.447 0.02 . 1 . . . . . 187 VAL HA . 28102 1 1791 . 1 . 1 187 187 VAL HB H 1 2.151 0.02 . 1 . . . . . 187 VAL HB . 28102 1 1792 . 1 . 1 187 187 VAL HG11 H 1 0.797 0.02 . 2 . . . . . 187 VAL QG1 . 28102 1 1793 . 1 . 1 187 187 VAL HG12 H 1 0.797 0.02 . 2 . . . . . 187 VAL QG1 . 28102 1 1794 . 1 . 1 187 187 VAL HG13 H 1 0.797 0.02 . 2 . . . . . 187 VAL QG1 . 28102 1 1795 . 1 . 1 187 187 VAL HG21 H 1 1.011 0.02 . 2 . . . . . 187 VAL QG2 . 28102 1 1796 . 1 . 1 187 187 VAL HG22 H 1 1.011 0.02 . 2 . . . . . 187 VAL QG2 . 28102 1 1797 . 1 . 1 187 187 VAL HG23 H 1 1.011 0.02 . 2 . . . . . 187 VAL QG2 . 28102 1 1798 . 1 . 1 187 187 VAL C C 13 177.483 0.3 . 1 . . . . . 187 VAL C . 28102 1 1799 . 1 . 1 187 187 VAL CA C 13 67.172 0.3 . 1 . . . . . 187 VAL CA . 28102 1 1800 . 1 . 1 187 187 VAL CB C 13 31.211 0.3 . 1 . . . . . 187 VAL CB . 28102 1 1801 . 1 . 1 187 187 VAL CG1 C 13 22.068 0.3 . 2 . . . . . 187 VAL CG1 . 28102 1 1802 . 1 . 1 187 187 VAL CG2 C 13 24.011 0.3 . 2 . . . . . 187 VAL CG2 . 28102 1 1803 . 1 . 1 187 187 VAL N N 15 121.665 0.2 . 1 . . . . . 187 VAL N . 28102 1 1804 . 1 . 1 188 188 LEU H H 1 8.086 0.02 . 1 . . . . . 188 LEU H . 28102 1 1805 . 1 . 1 188 188 LEU HA H 1 3.608 0.02 . 1 . . . . . 188 LEU HA . 28102 1 1806 . 1 . 1 188 188 LEU HB2 H 1 0.799 0.02 . 2 . . . . . 188 LEU HB2 . 28102 1 1807 . 1 . 1 188 188 LEU HB3 H 1 1.02 0.02 . 2 . . . . . 188 LEU HB3 . 28102 1 1808 . 1 . 1 188 188 LEU HD11 H 1 -0.264 0.02 . 2 . . . . . 188 LEU QD1 . 28102 1 1809 . 1 . 1 188 188 LEU HD12 H 1 -0.264 0.02 . 2 . . . . . 188 LEU QD1 . 28102 1 1810 . 1 . 1 188 188 LEU HD13 H 1 -0.264 0.02 . 2 . . . . . 188 LEU QD1 . 28102 1 1811 . 1 . 1 188 188 LEU HD21 H 1 0.077 0.02 . 2 . . . . . 188 LEU QD2 . 28102 1 1812 . 1 . 1 188 188 LEU HD22 H 1 0.077 0.02 . 2 . . . . . 188 LEU QD2 . 28102 1 1813 . 1 . 1 188 188 LEU HD23 H 1 0.077 0.02 . 2 . . . . . 188 LEU QD2 . 28102 1 1814 . 1 . 1 188 188 LEU C C 13 178.105 0.3 . 1 . . . . . 188 LEU C . 28102 1 1815 . 1 . 1 188 188 LEU CA C 13 58.82 0.3 . 1 . . . . . 188 LEU CA . 28102 1 1816 . 1 . 1 188 188 LEU CB C 13 39.262 0.3 . 1 . . . . . 188 LEU CB . 28102 1 1817 . 1 . 1 188 188 LEU CG C 13 25.315 0.3 . 1 . . . . . 188 LEU CG . 28102 1 1818 . 1 . 1 188 188 LEU CD1 C 13 23.69 0.3 . 2 . . . . . 188 LEU CD1 . 28102 1 1819 . 1 . 1 188 188 LEU CD2 C 13 23.3 0.3 . 2 . . . . . 188 LEU CD2 . 28102 1 1820 . 1 . 1 188 188 LEU N N 15 120.208 0.2 . 1 . . . . . 188 LEU N . 28102 1 1821 . 1 . 1 189 189 ASP H H 1 8.136 0.02 . 1 . . . . . 189 ASP H . 28102 1 1822 . 1 . 1 189 189 ASP HA H 1 4.454 0.02 . 1 . . . . . 189 ASP HA . 28102 1 1823 . 1 . 1 189 189 ASP HB2 H 1 2.903 0.02 . 2 . . . . . 189 ASP HB2 . 28102 1 1824 . 1 . 1 189 189 ASP HB3 H 1 2.642 0.02 . 2 . . . . . 189 ASP HB3 . 28102 1 1825 . 1 . 1 189 189 ASP C C 13 178.798 0.3 . 1 . . . . . 189 ASP C . 28102 1 1826 . 1 . 1 189 189 ASP CA C 13 58.359 0.3 . 1 . . . . . 189 ASP CA . 28102 1 1827 . 1 . 1 189 189 ASP CB C 13 41.122 0.3 . 1 . . . . . 189 ASP CB . 28102 1 1828 . 1 . 1 189 189 ASP N N 15 117.783 0.2 . 1 . . . . . 189 ASP N . 28102 1 1829 . 1 . 1 190 190 PHE H H 1 7.45 0.02 . 1 . . . . . 190 PHE H . 28102 1 1830 . 1 . 1 190 190 PHE HA H 1 4.213 0.02 . 1 . . . . . 190 PHE HA . 28102 1 1831 . 1 . 1 190 190 PHE HB2 H 1 3.155 0.02 . 2 . . . . . 190 PHE HB2 . 28102 1 1832 . 1 . 1 190 190 PHE C C 13 176.185 0.3 . 1 . . . . . 190 PHE C . 28102 1 1833 . 1 . 1 190 190 PHE CA C 13 61.414 0.3 . 1 . . . . . 190 PHE CA . 28102 1 1834 . 1 . 1 190 190 PHE CB C 13 39.156 0.3 . 1 . . . . . 190 PHE CB . 28102 1 1835 . 1 . 1 190 190 PHE N N 15 120.04 0.2 . 1 . . . . . 190 PHE N . 28102 1 1836 . 1 . 1 191 191 LEU H H 1 8.718 0.02 . 1 . . . . . 191 LEU H . 28102 1 1837 . 1 . 1 191 191 LEU HA H 1 3.199 0.02 . 1 . . . . . 191 LEU HA . 28102 1 1838 . 1 . 1 191 191 LEU HB2 H 1 1.753 0.02 . 2 . . . . . 191 LEU HB2 . 28102 1 1839 . 1 . 1 191 191 LEU HB3 H 1 0.739 0.02 . 2 . . . . . 191 LEU HB3 . 28102 1 1840 . 1 . 1 191 191 LEU HD11 H 1 -0.742 0.02 . 2 . . . . . 191 LEU QD1 . 28102 1 1841 . 1 . 1 191 191 LEU HD12 H 1 -0.742 0.02 . 2 . . . . . 191 LEU QD1 . 28102 1 1842 . 1 . 1 191 191 LEU HD13 H 1 -0.742 0.02 . 2 . . . . . 191 LEU QD1 . 28102 1 1843 . 1 . 1 191 191 LEU HD21 H 1 0.29 0.02 . 2 . . . . . 191 LEU QD2 . 28102 1 1844 . 1 . 1 191 191 LEU HD22 H 1 0.29 0.02 . 2 . . . . . 191 LEU QD2 . 28102 1 1845 . 1 . 1 191 191 LEU HD23 H 1 0.29 0.02 . 2 . . . . . 191 LEU QD2 . 28102 1 1846 . 1 . 1 191 191 LEU C C 13 178.214 0.3 . 1 . . . . . 191 LEU C . 28102 1 1847 . 1 . 1 191 191 LEU CA C 13 58.233 0.3 . 1 . . . . . 191 LEU CA . 28102 1 1848 . 1 . 1 191 191 LEU CB C 13 42.65 0.3 . 1 . . . . . 191 LEU CB . 28102 1 1849 . 1 . 1 191 191 LEU CG C 13 25.965 0.3 . 1 . . . . . 191 LEU CG . 28102 1 1850 . 1 . 1 191 191 LEU CD1 C 13 20.32 0.3 . 2 . . . . . 191 LEU CD1 . 28102 1 1851 . 1 . 1 191 191 LEU CD2 C 13 25.662 0.3 . 2 . . . . . 191 LEU CD2 . 28102 1 1852 . 1 . 1 191 191 LEU N N 15 119.292 0.2 . 1 . . . . . 191 LEU N . 28102 1 1853 . 1 . 1 192 192 VAL H H 1 8.269 0.02 . 1 . . . . . 192 VAL H . 28102 1 1854 . 1 . 1 192 192 VAL HA H 1 3.358 0.02 . 1 . . . . . 192 VAL HA . 28102 1 1855 . 1 . 1 192 192 VAL HB H 1 2.138 0.02 . 1 . . . . . 192 VAL HB . 28102 1 1856 . 1 . 1 192 192 VAL HG11 H 1 0.763 0.02 . 2 . . . . . 192 VAL QG1 . 28102 1 1857 . 1 . 1 192 192 VAL HG12 H 1 0.763 0.02 . 2 . . . . . 192 VAL QG1 . 28102 1 1858 . 1 . 1 192 192 VAL HG13 H 1 0.763 0.02 . 2 . . . . . 192 VAL QG1 . 28102 1 1859 . 1 . 1 192 192 VAL HG21 H 1 1.136 0.02 . 2 . . . . . 192 VAL QG2 . 28102 1 1860 . 1 . 1 192 192 VAL HG22 H 1 1.136 0.02 . 2 . . . . . 192 VAL QG2 . 28102 1 1861 . 1 . 1 192 192 VAL HG23 H 1 1.136 0.02 . 2 . . . . . 192 VAL QG2 . 28102 1 1862 . 1 . 1 192 192 VAL C C 13 177.209 0.3 . 1 . . . . . 192 VAL C . 28102 1 1863 . 1 . 1 192 192 VAL CA C 13 67.768 0.3 . 1 . . . . . 192 VAL CA . 28102 1 1864 . 1 . 1 192 192 VAL CB C 13 31.801 0.3 . 1 . . . . . 192 VAL CB . 28102 1 1865 . 1 . 1 192 192 VAL CG1 C 13 20.968 0.3 . 2 . . . . . 192 VAL CG1 . 28102 1 1866 . 1 . 1 192 192 VAL CG2 C 13 23.824 0.3 . 2 . . . . . 192 VAL CG2 . 28102 1 1867 . 1 . 1 192 192 VAL N N 15 115.84 0.2 . 1 . . . . . 192 VAL N . 28102 1 1868 . 1 . 1 193 193 LYS H H 1 7.413 0.02 . 1 . . . . . 193 LYS H . 28102 1 1869 . 1 . 1 193 193 LYS HA H 1 4.016 0.02 . 1 . . . . . 193 LYS HA . 28102 1 1870 . 1 . 1 193 193 LYS HB3 H 1 1.735 0.02 . 2 . . . . . 193 LYS HB3 . 28102 1 1871 . 1 . 1 193 193 LYS HG2 H 1 1.292 0.02 . 2 . . . . . 193 LYS HG2 . 28102 1 1872 . 1 . 1 193 193 LYS C C 13 178.268 0.3 . 1 . . . . . 193 LYS C . 28102 1 1873 . 1 . 1 193 193 LYS CA C 13 59.174 0.3 . 1 . . . . . 193 LYS CA . 28102 1 1874 . 1 . 1 193 193 LYS CB C 13 32.035 0.3 . 1 . . . . . 193 LYS CB . 28102 1 1875 . 1 . 1 193 193 LYS CG C 13 24.758 0.3 . 1 . . . . . 193 LYS CG . 28102 1 1876 . 1 . 1 193 193 LYS CD C 13 28.801 0.3 . 1 . . . . . 193 LYS CD . 28102 1 1877 . 1 . 1 193 193 LYS N N 15 119.373 0.2 . 1 . . . . . 193 LYS N . 28102 1 1878 . 1 . 1 194 194 GLN H H 1 8.169 0.02 . 1 . . . . . 194 GLN H . 28102 1 1879 . 1 . 1 194 194 GLN HA H 1 3.685 0.02 . 1 . . . . . 194 GLN HA . 28102 1 1880 . 1 . 1 194 194 GLN HG3 H 1 1.463 0.02 . 2 . . . . . 194 GLN HG3 . 28102 1 1881 . 1 . 1 194 194 GLN C C 13 179.233 0.3 . 1 . . . . . 194 GLN C . 28102 1 1882 . 1 . 1 194 194 GLN CA C 13 58.566 0.3 . 1 . . . . . 194 GLN CA . 28102 1 1883 . 1 . 1 194 194 GLN CB C 13 28.517 0.3 . 1 . . . . . 194 GLN CB . 28102 1 1884 . 1 . 1 194 194 GLN CG C 13 32.969 0.3 . 1 . . . . . 194 GLN CG . 28102 1 1885 . 1 . 1 194 194 GLN N N 15 115.654 0.2 . 1 . . . . . 194 GLN N . 28102 1 1886 . 1 . 1 195 195 VAL H H 1 8.034 0.02 . 1 . . . . . 195 VAL H . 28102 1 1887 . 1 . 1 195 195 VAL HA H 1 3.903 0.02 . 1 . . . . . 195 VAL HA . 28102 1 1888 . 1 . 1 195 195 VAL HB H 1 2.027 0.02 . 1 . . . . . 195 VAL HB . 28102 1 1889 . 1 . 1 195 195 VAL HG11 H 1 0.892 0.02 . 2 . . . . . 195 VAL QG1 . 28102 1 1890 . 1 . 1 195 195 VAL HG12 H 1 0.892 0.02 . 2 . . . . . 195 VAL QG1 . 28102 1 1891 . 1 . 1 195 195 VAL HG13 H 1 0.892 0.02 . 2 . . . . . 195 VAL QG1 . 28102 1 1892 . 1 . 1 195 195 VAL C C 13 180.955 0.3 . 1 . . . . . 195 VAL C . 28102 1 1893 . 1 . 1 195 195 VAL CA C 13 65.873 0.3 . 1 . . . . . 195 VAL CA . 28102 1 1894 . 1 . 1 195 195 VAL CB C 13 31.403 0.3 . 1 . . . . . 195 VAL CB . 28102 1 1895 . 1 . 1 195 195 VAL CG1 C 13 22.833 0.3 . 2 . . . . . 195 VAL CG1 . 28102 1 1896 . 1 . 1 195 195 VAL N N 15 120.404 0.2 . 1 . . . . . 195 VAL N . 28102 1 1897 . 1 . 1 196 196 GLN H H 1 8.428 0.02 . 1 . . . . . 196 GLN H . 28102 1 1898 . 1 . 1 196 196 GLN HA H 1 3.854 0.02 . 1 . . . . . 196 GLN HA . 28102 1 1899 . 1 . 1 196 196 GLN HB2 H 1 1.876 0.02 . 2 . . . . . 196 GLN HB2 . 28102 1 1900 . 1 . 1 196 196 GLN HG2 H 1 2.45 0.02 . 2 . . . . . 196 GLN HG2 . 28102 1 1901 . 1 . 1 196 196 GLN HG3 H 1 2.299 0.02 . 2 . . . . . 196 GLN HG3 . 28102 1 1902 . 1 . 1 196 196 GLN C C 13 177.921 0.3 . 1 . . . . . 196 GLN C . 28102 1 1903 . 1 . 1 196 196 GLN CA C 13 59.608 0.3 . 1 . . . . . 196 GLN CA . 28102 1 1904 . 1 . 1 196 196 GLN CB C 13 28.295 0.3 . 1 . . . . . 196 GLN CB . 28102 1 1905 . 1 . 1 196 196 GLN CG C 13 34.151 0.3 . 1 . . . . . 196 GLN CG . 28102 1 1906 . 1 . 1 196 196 GLN N N 15 122.627 0.2 . 1 . . . . . 196 GLN N . 28102 1 1907 . 1 . 1 197 197 ASP H H 1 8.006 0.02 . 1 . . . . . 197 ASP H . 28102 1 1908 . 1 . 1 197 197 ASP HA H 1 4.525 0.02 . 1 . . . . . 197 ASP HA . 28102 1 1909 . 1 . 1 197 197 ASP HB2 H 1 2.45 0.02 . 2 . . . . . 197 ASP HB2 . 28102 1 1910 . 1 . 1 197 197 ASP HB3 H 1 2.692 0.02 . 2 . . . . . 197 ASP HB3 . 28102 1 1911 . 1 . 1 197 197 ASP C C 13 174.998 0.3 . 1 . . . . . 197 ASP C . 28102 1 1912 . 1 . 1 197 197 ASP CA C 13 54.981 0.3 . 1 . . . . . 197 ASP CA . 28102 1 1913 . 1 . 1 197 197 ASP CB C 13 40.727 0.3 . 1 . . . . . 197 ASP CB . 28102 1 1914 . 1 . 1 197 197 ASP N N 15 117.078 0.2 . 1 . . . . . 197 ASP N . 28102 1 1915 . 1 . 1 198 198 LYS H H 1 7.867 0.02 . 1 . . . . . 198 LYS H . 28102 1 1916 . 1 . 1 198 198 LYS HA H 1 4.041 0.02 . 1 . . . . . 198 LYS HA . 28102 1 1917 . 1 . 1 198 198 LYS HB3 H 1 2.007 0.02 . 2 . . . . . 198 LYS HB3 . 28102 1 1918 . 1 . 1 198 198 LYS HG3 H 1 1.302 0.02 . 2 . . . . . 198 LYS HG3 . 28102 1 1919 . 1 . 1 198 198 LYS HD2 H 1 1.645 0.02 . 2 . . . . . 198 LYS HD2 . 28102 1 1920 . 1 . 1 198 198 LYS C C 13 175.93 0.3 . 1 . . . . . 198 LYS C . 28102 1 1921 . 1 . 1 198 198 LYS CA C 13 57.92 0.3 . 1 . . . . . 198 LYS CA . 28102 1 1922 . 1 . 1 198 198 LYS CB C 13 28.744 0.3 . 1 . . . . . 198 LYS CB . 28102 1 1923 . 1 . 1 198 198 LYS CG C 13 25.193 0.3 . 1 . . . . . 198 LYS CG . 28102 1 1924 . 1 . 1 198 198 LYS CE C 13 42.327 0.3 . 1 . . . . . 198 LYS CE . 28102 1 1925 . 1 . 1 198 198 LYS N N 15 115.019 0.2 . 1 . . . . . 198 LYS N . 28102 1 1926 . 1 . 1 199 199 LYS H H 1 8.354 0.02 . 1 . . . . . 199 LYS H . 28102 1 1927 . 1 . 1 199 199 LYS HA H 1 4.213 0.02 . 1 . . . . . 199 LYS HA . 28102 1 1928 . 1 . 1 199 199 LYS HB3 H 1 1.806 0.02 . 2 . . . . . 199 LYS HB3 . 28102 1 1929 . 1 . 1 199 199 LYS HG2 H 1 1.332 0.02 . 2 . . . . . 199 LYS HG2 . 28102 1 1930 . 1 . 1 199 199 LYS HD2 H 1 1.497 0.02 . 2 . . . . . 199 LYS HD2 . 28102 1 1931 . 1 . 1 199 199 LYS C C 13 176.167 0.3 . 1 . . . . . 199 LYS C . 28102 1 1932 . 1 . 1 199 199 LYS CA C 13 56.739 0.3 . 1 . . . . . 199 LYS CA . 28102 1 1933 . 1 . 1 199 199 LYS CB C 13 33.662 0.3 . 1 . . . . . 199 LYS CB . 28102 1 1934 . 1 . 1 199 199 LYS CG C 13 24.981 0.3 . 1 . . . . . 199 LYS CG . 28102 1 1935 . 1 . 1 199 199 LYS CD C 13 28.603 0.3 . 1 . . . . . 199 LYS CD . 28102 1 1936 . 1 . 1 199 199 LYS CE C 13 42.202 0.3 . 1 . . . . . 199 LYS CE . 28102 1 1937 . 1 . 1 199 199 LYS N N 15 118.152 0.2 . 1 . . . . . 199 LYS N . 28102 1 1938 . 1 . 1 200 200 LEU H H 1 7.168 0.02 . 1 . . . . . 200 LEU H . 28102 1 1939 . 1 . 1 200 200 LEU HD11 H 1 0.115 0.02 . 2 . . . . . 200 LEU QD1 . 28102 1 1940 . 1 . 1 200 200 LEU HD12 H 1 0.115 0.02 . 2 . . . . . 200 LEU QD1 . 28102 1 1941 . 1 . 1 200 200 LEU HD13 H 1 0.115 0.02 . 2 . . . . . 200 LEU QD1 . 28102 1 1942 . 1 . 1 200 200 LEU HD21 H 1 0.821 0.02 . 2 . . . . . 200 LEU QD2 . 28102 1 1943 . 1 . 1 200 200 LEU HD22 H 1 0.821 0.02 . 2 . . . . . 200 LEU QD2 . 28102 1 1944 . 1 . 1 200 200 LEU HD23 H 1 0.821 0.02 . 2 . . . . . 200 LEU QD2 . 28102 1 1945 . 1 . 1 200 200 LEU C C 13 180.352 0.3 . 1 . . . . . 200 LEU C . 28102 1 1946 . 1 . 1 200 200 LEU CA C 13 55.286 0.3 . 1 . . . . . 200 LEU CA . 28102 1 1947 . 1 . 1 200 200 LEU CB C 13 44.25 0.3 . 1 . . . . . 200 LEU CB . 28102 1 1948 . 1 . 1 200 200 LEU CG C 13 27.1 0.3 . 1 . . . . . 200 LEU CG . 28102 1 1949 . 1 . 1 200 200 LEU CD1 C 13 25.413 0.3 . 2 . . . . . 200 LEU CD1 . 28102 1 1950 . 1 . 1 200 200 LEU CD2 C 13 21.846 0.3 . 2 . . . . . 200 LEU CD2 . 28102 1 1951 . 1 . 1 200 200 LEU N N 15 126.407 0.2 . 1 . . . . . 200 LEU N . 28102 1 stop_ save_