data_34347 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34347 _Entry.Title ; Assessment of a large enzyme-drug complex by proton-detected solid-state NMR without deuteration ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-01-07 _Entry.Accession_date 2019-01-07 _Entry.Last_release_date 2019-09-25 _Entry.Original_release_date 2019-09-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype STATE _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLID-STATE NMR' 'SOLID-STATE NMR' 34347 stop_ 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 S. Vasa S. K. . . 34347 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HYDROLASE . 34347 'hCAII Solid state NMR Acetazolamide' . 34347 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34347 spectral_peak_list 1 34347 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 934 34347 '15N chemical shifts' 237 34347 '1H chemical shifts' 1280 34347 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 . . 2019-12-06 . original BMRB . 34347 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6QEB . 34347 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34347 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1002/anie.201811714 _Citation.PubMed_ID 30688395 _Citation.Full_citation . _Citation.Title ; Assessment of a Large Enzyme-Drug Complex by Proton-Detected Solid-State NMR Spectroscopy without Deuteration. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full . _Citation.Journal_volume 58 _Citation.Journal_issue 17 _Citation.Journal_ASTM ACIEAY _Citation.Journal_ISSN 1521-3773 _Citation.Journal_CSD 0179 _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 5758 _Citation.Page_last 5762 _Citation.Year 2019 _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 S. Vasa S. K. . . 34347 1 2 H. Singh H. . . . 34347 1 3 K. Grohe K. . . . 34347 1 4 R. Linser R. . . . 34347 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34347 _Assembly.ID 1 _Assembly.Name PROTEIN _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 entity_1 1 $entity_1 A A yes . . . . . . 34347 1 2 entity_2 2 $entity_ZN B A no . . . . . . 34347 1 3 entity_3 3 $entity_AZM C A no . . . . . . 34347 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34347 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSHHWGYGKHNGPEHWHKDF PIAKGERQSPVDIDTHTAKY DPSLKPLSVSYDQATSLRIL NNGHAFNVEFDDSQDKAVLK GGPLDGTYRLIQFHFHWGSL DGQGSEHTVDKKKYAAELHL VHWNTKYGDFGKAVQQPDGL AVLGIFLKVGSAKPGLQKVV DVLDSIKTKGKSADFTNFDP RGLLPESLDYWTYPGSLTTP PLLECVTWIVLKEPISVSSE QVLKFRKLNFNGEGEPEELM VDNWRPAQPLKNRQIKASFK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 260 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 4.2.1.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 29289.062 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CA-II na 34347 1 CAC na 34347 1 'Carbonate dehydratase II' na 34347 1 'Carbonic anhydrase C' na 34347 1 'Carbonic anhydrase II' na 34347 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34347 1 2 . SER . 34347 1 3 . HIS . 34347 1 4 . HIS . 34347 1 5 . TRP . 34347 1 6 . GLY . 34347 1 7 . TYR . 34347 1 8 . GLY . 34347 1 9 . LYS . 34347 1 10 . HIS . 34347 1 11 . ASN . 34347 1 12 . GLY . 34347 1 13 . PRO . 34347 1 14 . GLU . 34347 1 15 . HIS . 34347 1 16 . TRP . 34347 1 17 . HIS . 34347 1 18 . LYS . 34347 1 19 . ASP . 34347 1 20 . PHE . 34347 1 21 . PRO . 34347 1 22 . ILE . 34347 1 23 . ALA . 34347 1 24 . LYS . 34347 1 25 . GLY . 34347 1 26 . GLU . 34347 1 27 . ARG . 34347 1 28 . GLN . 34347 1 29 . SER . 34347 1 30 . PRO . 34347 1 31 . VAL . 34347 1 32 . ASP . 34347 1 33 . ILE . 34347 1 34 . ASP . 34347 1 35 . THR . 34347 1 36 . HIS . 34347 1 37 . THR . 34347 1 38 . ALA . 34347 1 39 . LYS . 34347 1 40 . TYR . 34347 1 41 . ASP . 34347 1 42 . PRO . 34347 1 43 . SER . 34347 1 44 . LEU . 34347 1 45 . LYS . 34347 1 46 . PRO . 34347 1 47 . LEU . 34347 1 48 . SER . 34347 1 49 . VAL . 34347 1 50 . SER . 34347 1 51 . TYR . 34347 1 52 . ASP . 34347 1 53 . GLN . 34347 1 54 . ALA . 34347 1 55 . THR . 34347 1 56 . SER . 34347 1 57 . LEU . 34347 1 58 . ARG . 34347 1 59 . ILE . 34347 1 60 . LEU . 34347 1 61 . ASN . 34347 1 62 . ASN . 34347 1 63 . GLY . 34347 1 64 . HIS . 34347 1 65 . ALA . 34347 1 66 . PHE . 34347 1 67 . ASN . 34347 1 68 . VAL . 34347 1 69 . GLU . 34347 1 70 . PHE . 34347 1 71 . ASP . 34347 1 72 . ASP . 34347 1 73 . SER . 34347 1 74 . GLN . 34347 1 75 . ASP . 34347 1 76 . LYS . 34347 1 77 . ALA . 34347 1 78 . VAL . 34347 1 79 . LEU . 34347 1 80 . LYS . 34347 1 81 . GLY . 34347 1 82 . GLY . 34347 1 83 . PRO . 34347 1 84 . LEU . 34347 1 85 . ASP . 34347 1 86 . GLY . 34347 1 87 . THR . 34347 1 88 . TYR . 34347 1 89 . ARG . 34347 1 90 . LEU . 34347 1 91 . ILE . 34347 1 92 . GLN . 34347 1 93 . PHE . 34347 1 94 . HIS . 34347 1 95 . PHE . 34347 1 96 . HIS . 34347 1 97 . TRP . 34347 1 98 . GLY . 34347 1 99 . SER . 34347 1 100 . LEU . 34347 1 101 . ASP . 34347 1 102 . GLY . 34347 1 103 . GLN . 34347 1 104 . GLY . 34347 1 105 . SER . 34347 1 106 . GLU . 34347 1 107 . HIS . 34347 1 108 . THR . 34347 1 109 . VAL . 34347 1 110 . ASP . 34347 1 111 . LYS . 34347 1 112 . LYS . 34347 1 113 . LYS . 34347 1 114 . TYR . 34347 1 115 . ALA . 34347 1 116 . ALA . 34347 1 117 . GLU . 34347 1 118 . LEU . 34347 1 119 . HIS . 34347 1 120 . LEU . 34347 1 121 . VAL . 34347 1 122 . HIS . 34347 1 123 . TRP . 34347 1 124 . ASN . 34347 1 125 . THR . 34347 1 126 . LYS . 34347 1 127 . TYR . 34347 1 128 . GLY . 34347 1 129 . ASP . 34347 1 130 . PHE . 34347 1 131 . GLY . 34347 1 132 . LYS . 34347 1 133 . ALA . 34347 1 134 . VAL . 34347 1 135 . GLN . 34347 1 136 . GLN . 34347 1 137 . PRO . 34347 1 138 . ASP . 34347 1 139 . GLY . 34347 1 140 . LEU . 34347 1 141 . ALA . 34347 1 142 . VAL . 34347 1 143 . LEU . 34347 1 144 . GLY . 34347 1 145 . ILE . 34347 1 146 . PHE . 34347 1 147 . LEU . 34347 1 148 . LYS . 34347 1 149 . VAL . 34347 1 150 . GLY . 34347 1 151 . SER . 34347 1 152 . ALA . 34347 1 153 . LYS . 34347 1 154 . PRO . 34347 1 155 . GLY . 34347 1 156 . LEU . 34347 1 157 . GLN . 34347 1 158 . LYS . 34347 1 159 . VAL . 34347 1 160 . VAL . 34347 1 161 . ASP . 34347 1 162 . VAL . 34347 1 163 . LEU . 34347 1 164 . ASP . 34347 1 165 . SER . 34347 1 166 . ILE . 34347 1 167 . LYS . 34347 1 168 . THR . 34347 1 169 . LYS . 34347 1 170 . GLY . 34347 1 171 . LYS . 34347 1 172 . SER . 34347 1 173 . ALA . 34347 1 174 . ASP . 34347 1 175 . PHE . 34347 1 176 . THR . 34347 1 177 . ASN . 34347 1 178 . PHE . 34347 1 179 . ASP . 34347 1 180 . PRO . 34347 1 181 . ARG . 34347 1 182 . GLY . 34347 1 183 . LEU . 34347 1 184 . LEU . 34347 1 185 . PRO . 34347 1 186 . GLU . 34347 1 187 . SER . 34347 1 188 . LEU . 34347 1 189 . ASP . 34347 1 190 . TYR . 34347 1 191 . TRP . 34347 1 192 . THR . 34347 1 193 . TYR . 34347 1 194 . PRO . 34347 1 195 . GLY . 34347 1 196 . SER . 34347 1 197 . LEU . 34347 1 198 . THR . 34347 1 199 . THR . 34347 1 200 . PRO . 34347 1 201 . PRO . 34347 1 202 . LEU . 34347 1 203 . LEU . 34347 1 204 . GLU . 34347 1 205 . CYS . 34347 1 206 . VAL . 34347 1 207 . THR . 34347 1 208 . TRP . 34347 1 209 . ILE . 34347 1 210 . VAL . 34347 1 211 . LEU . 34347 1 212 . LYS . 34347 1 213 . GLU . 34347 1 214 . PRO . 34347 1 215 . ILE . 34347 1 216 . SER . 34347 1 217 . VAL . 34347 1 218 . SER . 34347 1 219 . SER . 34347 1 220 . GLU . 34347 1 221 . GLN . 34347 1 222 . VAL . 34347 1 223 . LEU . 34347 1 224 . LYS . 34347 1 225 . PHE . 34347 1 226 . ARG . 34347 1 227 . LYS . 34347 1 228 . LEU . 34347 1 229 . ASN . 34347 1 230 . PHE . 34347 1 231 . ASN . 34347 1 232 . GLY . 34347 1 233 . GLU . 34347 1 234 . GLY . 34347 1 235 . GLU . 34347 1 236 . PRO . 34347 1 237 . GLU . 34347 1 238 . GLU . 34347 1 239 . LEU . 34347 1 240 . MET . 34347 1 241 . VAL . 34347 1 242 . ASP . 34347 1 243 . ASN . 34347 1 244 . TRP . 34347 1 245 . ARG . 34347 1 246 . PRO . 34347 1 247 . ALA . 34347 1 248 . GLN . 34347 1 249 . PRO . 34347 1 250 . LEU . 34347 1 251 . LYS . 34347 1 252 . ASN . 34347 1 253 . ARG . 34347 1 254 . GLN . 34347 1 255 . ILE . 34347 1 256 . LYS . 34347 1 257 . ALA . 34347 1 258 . SER . 34347 1 259 . PHE . 34347 1 260 . LYS . 34347 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34347 1 . SER 2 2 34347 1 . HIS 3 3 34347 1 . HIS 4 4 34347 1 . TRP 5 5 34347 1 . GLY 6 6 34347 1 . TYR 7 7 34347 1 . GLY 8 8 34347 1 . LYS 9 9 34347 1 . HIS 10 10 34347 1 . ASN 11 11 34347 1 . GLY 12 12 34347 1 . PRO 13 13 34347 1 . GLU 14 14 34347 1 . HIS 15 15 34347 1 . TRP 16 16 34347 1 . HIS 17 17 34347 1 . LYS 18 18 34347 1 . ASP 19 19 34347 1 . PHE 20 20 34347 1 . PRO 21 21 34347 1 . ILE 22 22 34347 1 . ALA 23 23 34347 1 . LYS 24 24 34347 1 . GLY 25 25 34347 1 . GLU 26 26 34347 1 . ARG 27 27 34347 1 . GLN 28 28 34347 1 . SER 29 29 34347 1 . PRO 30 30 34347 1 . VAL 31 31 34347 1 . ASP 32 32 34347 1 . ILE 33 33 34347 1 . ASP 34 34 34347 1 . THR 35 35 34347 1 . HIS 36 36 34347 1 . THR 37 37 34347 1 . ALA 38 38 34347 1 . LYS 39 39 34347 1 . TYR 40 40 34347 1 . ASP 41 41 34347 1 . PRO 42 42 34347 1 . SER 43 43 34347 1 . LEU 44 44 34347 1 . LYS 45 45 34347 1 . PRO 46 46 34347 1 . LEU 47 47 34347 1 . SER 48 48 34347 1 . VAL 49 49 34347 1 . SER 50 50 34347 1 . TYR 51 51 34347 1 . ASP 52 52 34347 1 . GLN 53 53 34347 1 . ALA 54 54 34347 1 . THR 55 55 34347 1 . SER 56 56 34347 1 . LEU 57 57 34347 1 . ARG 58 58 34347 1 . ILE 59 59 34347 1 . LEU 60 60 34347 1 . ASN 61 61 34347 1 . ASN 62 62 34347 1 . GLY 63 63 34347 1 . HIS 64 64 34347 1 . ALA 65 65 34347 1 . PHE 66 66 34347 1 . ASN 67 67 34347 1 . VAL 68 68 34347 1 . GLU 69 69 34347 1 . PHE 70 70 34347 1 . ASP 71 71 34347 1 . ASP 72 72 34347 1 . SER 73 73 34347 1 . GLN 74 74 34347 1 . ASP 75 75 34347 1 . LYS 76 76 34347 1 . ALA 77 77 34347 1 . VAL 78 78 34347 1 . LEU 79 79 34347 1 . LYS 80 80 34347 1 . GLY 81 81 34347 1 . GLY 82 82 34347 1 . PRO 83 83 34347 1 . LEU 84 84 34347 1 . ASP 85 85 34347 1 . GLY 86 86 34347 1 . THR 87 87 34347 1 . TYR 88 88 34347 1 . ARG 89 89 34347 1 . LEU 90 90 34347 1 . ILE 91 91 34347 1 . GLN 92 92 34347 1 . PHE 93 93 34347 1 . HIS 94 94 34347 1 . PHE 95 95 34347 1 . HIS 96 96 34347 1 . TRP 97 97 34347 1 . GLY 98 98 34347 1 . SER 99 99 34347 1 . LEU 100 100 34347 1 . ASP 101 101 34347 1 . GLY 102 102 34347 1 . GLN 103 103 34347 1 . GLY 104 104 34347 1 . SER 105 105 34347 1 . GLU 106 106 34347 1 . HIS 107 107 34347 1 . THR 108 108 34347 1 . VAL 109 109 34347 1 . ASP 110 110 34347 1 . LYS 111 111 34347 1 . LYS 112 112 34347 1 . LYS 113 113 34347 1 . TYR 114 114 34347 1 . ALA 115 115 34347 1 . ALA 116 116 34347 1 . GLU 117 117 34347 1 . LEU 118 118 34347 1 . HIS 119 119 34347 1 . LEU 120 120 34347 1 . VAL 121 121 34347 1 . HIS 122 122 34347 1 . TRP 123 123 34347 1 . ASN 124 124 34347 1 . THR 125 125 34347 1 . LYS 126 126 34347 1 . TYR 127 127 34347 1 . GLY 128 128 34347 1 . ASP 129 129 34347 1 . PHE 130 130 34347 1 . GLY 131 131 34347 1 . LYS 132 132 34347 1 . ALA 133 133 34347 1 . VAL 134 134 34347 1 . GLN 135 135 34347 1 . GLN 136 136 34347 1 . PRO 137 137 34347 1 . ASP 138 138 34347 1 . GLY 139 139 34347 1 . LEU 140 140 34347 1 . ALA 141 141 34347 1 . VAL 142 142 34347 1 . LEU 143 143 34347 1 . GLY 144 144 34347 1 . ILE 145 145 34347 1 . PHE 146 146 34347 1 . LEU 147 147 34347 1 . LYS 148 148 34347 1 . VAL 149 149 34347 1 . GLY 150 150 34347 1 . SER 151 151 34347 1 . ALA 152 152 34347 1 . LYS 153 153 34347 1 . PRO 154 154 34347 1 . GLY 155 155 34347 1 . LEU 156 156 34347 1 . GLN 157 157 34347 1 . LYS 158 158 34347 1 . VAL 159 159 34347 1 . VAL 160 160 34347 1 . ASP 161 161 34347 1 . VAL 162 162 34347 1 . LEU 163 163 34347 1 . ASP 164 164 34347 1 . SER 165 165 34347 1 . ILE 166 166 34347 1 . LYS 167 167 34347 1 . THR 168 168 34347 1 . LYS 169 169 34347 1 . GLY 170 170 34347 1 . LYS 171 171 34347 1 . SER 172 172 34347 1 . ALA 173 173 34347 1 . ASP 174 174 34347 1 . PHE 175 175 34347 1 . THR 176 176 34347 1 . ASN 177 177 34347 1 . PHE 178 178 34347 1 . ASP 179 179 34347 1 . PRO 180 180 34347 1 . ARG 181 181 34347 1 . GLY 182 182 34347 1 . LEU 183 183 34347 1 . LEU 184 184 34347 1 . PRO 185 185 34347 1 . GLU 186 186 34347 1 . SER 187 187 34347 1 . LEU 188 188 34347 1 . ASP 189 189 34347 1 . TYR 190 190 34347 1 . TRP 191 191 34347 1 . THR 192 192 34347 1 . TYR 193 193 34347 1 . PRO 194 194 34347 1 . GLY 195 195 34347 1 . SER 196 196 34347 1 . LEU 197 197 34347 1 . THR 198 198 34347 1 . THR 199 199 34347 1 . PRO 200 200 34347 1 . PRO 201 201 34347 1 . LEU 202 202 34347 1 . LEU 203 203 34347 1 . GLU 204 204 34347 1 . CYS 205 205 34347 1 . VAL 206 206 34347 1 . THR 207 207 34347 1 . TRP 208 208 34347 1 . ILE 209 209 34347 1 . VAL 210 210 34347 1 . LEU 211 211 34347 1 . LYS 212 212 34347 1 . GLU 213 213 34347 1 . PRO 214 214 34347 1 . ILE 215 215 34347 1 . SER 216 216 34347 1 . VAL 217 217 34347 1 . SER 218 218 34347 1 . SER 219 219 34347 1 . GLU 220 220 34347 1 . GLN 221 221 34347 1 . VAL 222 222 34347 1 . LEU 223 223 34347 1 . LYS 224 224 34347 1 . PHE 225 225 34347 1 . ARG 226 226 34347 1 . LYS 227 227 34347 1 . LEU 228 228 34347 1 . ASN 229 229 34347 1 . PHE 230 230 34347 1 . ASN 231 231 34347 1 . GLY 232 232 34347 1 . GLU 233 233 34347 1 . GLY 234 234 34347 1 . GLU 235 235 34347 1 . PRO 236 236 34347 1 . GLU 237 237 34347 1 . GLU 238 238 34347 1 . LEU 239 239 34347 1 . MET 240 240 34347 1 . VAL 241 241 34347 1 . ASP 242 242 34347 1 . ASN 243 243 34347 1 . TRP 244 244 34347 1 . ARG 245 245 34347 1 . PRO 246 246 34347 1 . ALA 247 247 34347 1 . GLN 248 248 34347 1 . PRO 249 249 34347 1 . LEU 250 250 34347 1 . LYS 251 251 34347 1 . ASN 252 252 34347 1 . ARG 253 253 34347 1 . GLN 254 254 34347 1 . ILE 255 255 34347 1 . LYS 256 256 34347 1 . ALA 257 257 34347 1 . SER 258 258 34347 1 . PHE 259 259 34347 1 . LYS 260 260 34347 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 34347 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 34347 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 34347 2 ZN 'Three letter code' 34347 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 34347 2 stop_ save_ save_entity_AZM _Entity.Sf_category entity _Entity.Sf_framecode entity_AZM _Entity.Entry_ID 34347 _Entity.ID 3 _Entity.BMRB_code AZM _Entity.Name entity_AZM _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID AZM _Entity.Nonpolymer_comp_label $chem_comp_AZM _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 222.245 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE BMRB 34347 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE BMRB 34347 3 AZM 'Three letter code' 34347 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 AZM $chem_comp_AZM 34347 3 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 34347 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . CA2 . 34347 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 34347 _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 $entity_1 . 'recombinant technology' 'Escherichia coli K-12' . . 83333 . . . . . . . . . . . . 34347 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_AZM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AZM _Chem_comp.Entry_ID 34347 _Chem_comp.ID AZM _Chem_comp.Provenance PDB _Chem_comp.Name 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code AZM _Chem_comp.PDB_code AZM _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code AZM _Chem_comp.Number_atoms_all 19 _Chem_comp.Number_atoms_nh 13 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C4 H6 N4 O3 S2' _Chem_comp.Formula_weight 222.245 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1AZM _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BZKPWHYZMXOIDC-UHFFFAOYSA-N InChIKey InChI 1.03 34347 AZM CC(=O)Nc1nnc(s1)S(=O)(=O)N SMILES 'OpenEye OEToolkits' 1.5.0 34347 AZM CC(=O)Nc1nnc(s1)S(=O)(=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34347 AZM CC(=O)Nc1sc(nn1)[S](N)(=O)=O SMILES CACTVS 3.341 34347 AZM CC(=O)Nc1sc(nn1)[S](N)(=O)=O SMILES_CANONICAL CACTVS 3.341 34347 AZM InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) InChI InChI 1.03 34347 AZM O=S(=O)(c1nnc(s1)NC(=O)C)N SMILES ACDLabs 10.04 34347 AZM stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide 'SYSTEMATIC NAME' ACDLabs 10.04 34347 AZM N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)ethanamide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34347 AZM stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 yes no . . . . 34.763 . 17.193 . -17.938 . 0.032 -0.000 -1.065 1 . 34347 AZM C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 34.437 . 16.448 . -20.145 . -0.339 -0.000 1.540 2 . 34347 AZM C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . 32.939 . 14.771 . -20.994 . 0.211 -0.000 3.847 3 . 34347 AZM C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 32.451 . 14.002 . -22.139 . -0.205 -0.000 5.295 4 . 34347 AZM N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 36.491 . 17.630 . -15.961 . 1.576 -0.000 -3.347 5 . 34347 AZM N2 N2 N2 N2 . N . . N 0 . . . 1 yes no . . . . 35.066 . 17.627 . -20.043 . 0.873 0.005 1.013 6 . 34347 AZM N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . 35.188 . 18.071 . -18.767 . 1.056 -0.000 -0.235 7 . 34347 AZM N4 N4 N4 N4 . N . . N 0 . . . 1 no no . . . . 33.759 . 15.835 . -21.214 . -0.724 -0.000 2.877 8 . 34347 AZM O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . 34.672 . 16.010 . -15.723 . -0.527 -1.262 -3.204 9 . 34347 AZM O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 34.171 . 18.417 . -15.693 . -0.527 1.262 -3.205 10 . 34347 AZM O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . 32.582 . 14.429 . -19.863 . 1.388 -0.001 3.555 11 . 34347 AZM S1 S1 S1 S1 . S . . N 0 . . . 1 no no . . . . 34.954 . 17.373 . -16.193 . 0.004 -0.000 -2.827 12 . 34347 AZM S2 S2 S2 S2 . S . . N 0 . . . 1 yes no . . . . 34.048 . 15.811 . -18.609 . -1.320 0.000 0.104 13 . 34347 AZM H41 H41 H41 1H4 . H . . N 0 . . . 1 no no . . . . 31.779 . 13.130 . -21.958 . 0.681 -0.001 5.929 14 . 34347 AZM H42 H42 H42 2H4 . H . . N 0 . . . 1 no no . . . . 31.951 . 14.698 . -22.852 . -0.799 0.889 5.502 15 . 34347 AZM H43 H43 H43 3H4 . H . . N 0 . . . 1 no no . . . . 33.325 . 13.662 . -22.742 . -0.800 -0.890 5.502 16 . 34347 AZM HN11 HN11 HN11 1HN1 . H . . N 0 . . . 0 no no . . . . 36.601 . 17.734 . -14.952 . 1.772 -0.001 -4.297 17 . 34347 AZM HN12 HN12 HN12 2HN1 . H . . N 0 . . . 0 no no . . . . 36.860 . 18.415 . -16.496 . 2.300 -0.001 -2.702 18 . 34347 AZM HN4 HN4 HN4 HN4 . H . . N 0 . . . 1 no no . . . . 33.864 . 16.170 . -22.171 . -1.665 0.000 3.110 19 . 34347 AZM stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 N3 yes N 1 . 34347 AZM 2 . SING C1 S1 no N 2 . 34347 AZM 3 . SING C1 S2 yes N 3 . 34347 AZM 4 . DOUB C2 N2 yes N 4 . 34347 AZM 5 . SING C2 N4 no N 5 . 34347 AZM 6 . SING C2 S2 yes N 6 . 34347 AZM 7 . SING C3 C4 no N 7 . 34347 AZM 8 . SING C3 N4 no N 8 . 34347 AZM 9 . DOUB C3 O3 no N 9 . 34347 AZM 10 . SING C4 H41 no N 10 . 34347 AZM 11 . SING C4 H42 no N 11 . 34347 AZM 12 . SING C4 H43 no N 12 . 34347 AZM 13 . SING N1 S1 no N 13 . 34347 AZM 14 . SING N1 HN11 no N 14 . 34347 AZM 15 . SING N1 HN12 no N 15 . 34347 AZM 16 . SING N2 N3 yes N 16 . 34347 AZM 17 . SING N4 HN4 no N 17 . 34347 AZM 18 . DOUB O1 S1 no N 18 . 34347 AZM 19 . DOUB O2 S1 no N 19 . 34347 AZM stop_ save_ save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 34347 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 34347 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 34347 ZN [Zn++] SMILES CACTVS 3.341 34347 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 34347 ZN [Zn+2] SMILES ACDLabs 10.04 34347 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 34347 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 34347 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 34347 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 34347 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 34347 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34347 _Sample.ID 1 _Sample.Name . _Sample.Type 'polycrystalline powder' _Sample.Sub_type . _Sample.Details '1 mM [U-99% 13C; U-99% 15N] hCAII, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 hCAII '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 34347 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 34347 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34347 1 pH 7.5 . pH 34347 1 pressure 1 . atm 34347 1 temperature 288 . K 34347 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34347 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34347 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34347 1 . 'structure calculation' 34347 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34347 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34347 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34347 2 . 'peak picking' 34347 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34347 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 34347 _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 NMR_spectrometer_1 Bruker 'AVANCE III' . 800 . . . 34347 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 34347 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34347 1 2 '3D 1H-15N RFDR' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34347 1 3 '3D 1H-13C RFDR' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34347 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34347 _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 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 34347 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34347 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HCCH-TOCSY' . . . 34347 1 2 '3D 1H-15N RFDR' . . . 34347 1 3 '3D 1H-13C RFDR' . . . 34347 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 4 4 HIS CA C 13 57.567 0.000 . . . . . . A 4 HIS CA . 34347 1 2 . 1 1 4 4 HIS CB C 13 38.826 0.000 . . . . . . A 4 HIS CB . 34347 1 3 . 1 1 5 5 TRP H H 1 7.433 0.029 . . . . . . A 5 TRP H . 34347 1 4 . 1 1 5 5 TRP HA H 1 4.522 0.061 . . . . . . A 5 TRP HA . 34347 1 5 . 1 1 5 5 TRP C C 13 177.671 0.218 . . . . . . A 5 TRP C . 34347 1 6 . 1 1 5 5 TRP CA C 13 53.052 0.191 . . . . . . A 5 TRP CA . 34347 1 7 . 1 1 5 5 TRP CB C 13 30.884 0.082 . . . . . . A 5 TRP CB . 34347 1 8 . 1 1 5 5 TRP N N 15 120.684 0.126 . . . . . . A 5 TRP N . 34347 1 9 . 1 1 6 6 GLY H H 1 8.173 0.076 . . . . . . A 6 GLY H . 34347 1 10 . 1 1 6 6 GLY HA2 H 1 3.240 0.000 . . . . . . A 6 GLY HA2 . 34347 1 11 . 1 1 6 6 GLY HA3 H 1 3.544 0.126 . . . . . . A 6 GLY HA3 . 34347 1 12 . 1 1 6 6 GLY C C 13 171.192 0.000 . . . . . . A 6 GLY C . 34347 1 13 . 1 1 6 6 GLY CA C 13 45.581 0.224 . . . . . . A 6 GLY CA . 34347 1 14 . 1 1 6 6 GLY N N 15 110.120 0.107 . . . . . . A 6 GLY N . 34347 1 15 . 1 1 7 7 TYR H H 1 8.522 0.080 . . . . . . A 7 TYR H . 34347 1 16 . 1 1 7 7 TYR HA H 1 4.767 0.056 . . . . . . A 7 TYR HA . 34347 1 17 . 1 1 7 7 TYR HB2 H 1 3.314 0.000 . . . . . . A 7 TYR HB2 . 34347 1 18 . 1 1 7 7 TYR HB3 H 1 2.282 0.020 . . . . . . A 7 TYR HB3 . 34347 1 19 . 1 1 7 7 TYR C C 13 174.765 0.000 . . . . . . A 7 TYR C . 34347 1 20 . 1 1 7 7 TYR CA C 13 57.805 0.336 . . . . . . A 7 TYR CA . 34347 1 21 . 1 1 7 7 TYR CB C 13 38.969 0.130 . . . . . . A 7 TYR CB . 34347 1 22 . 1 1 7 7 TYR N N 15 119.534 0.088 . . . . . . A 7 TYR N . 34347 1 23 . 1 1 8 8 GLY H H 1 8.318 0.026 . . . . . . A 8 GLY H . 34347 1 24 . 1 1 8 8 GLY HA2 H 1 3.480 0.000 . . . . . . A 8 GLY HA2 . 34347 1 25 . 1 1 8 8 GLY HA3 H 1 3.884 0.000 . . . . . . A 8 GLY HA3 . 34347 1 26 . 1 1 8 8 GLY C C 13 174.478 0.000 . . . . . . A 8 GLY C . 34347 1 27 . 1 1 8 8 GLY CA C 13 43.959 0.197 . . . . . . A 8 GLY CA . 34347 1 28 . 1 1 8 8 GLY N N 15 110.747 0.161 . . . . . . A 8 GLY N . 34347 1 29 . 1 1 9 9 LYS H H 1 8.814 0.049 . . . . . . A 9 LYS H . 34347 1 30 . 1 1 9 9 LYS HA H 1 4.325 0.073 . . . . . . A 9 LYS HA . 34347 1 31 . 1 1 9 9 LYS HB2 H 1 1.852 0.000 . . . . . . A 9 LYS HB2 . 34347 1 32 . 1 1 9 9 LYS HB3 H 1 1.852 0.000 . . . . . . A 9 LYS HB3 . 34347 1 33 . 1 1 9 9 LYS HG2 H 1 1.317 0.000 . . . . . . A 9 LYS HG2 . 34347 1 34 . 1 1 9 9 LYS HG3 H 1 1.317 0.000 . . . . . . A 9 LYS HG3 . 34347 1 35 . 1 1 9 9 LYS HD2 H 1 1.566 0.000 . . . . . . A 9 LYS HD2 . 34347 1 36 . 1 1 9 9 LYS HD3 H 1 1.566 0.000 . . . . . . A 9 LYS HD3 . 34347 1 37 . 1 1 9 9 LYS HE2 H 1 2.909 0.000 . . . . . . A 9 LYS HE2 . 34347 1 38 . 1 1 9 9 LYS HE3 H 1 2.909 0.000 . . . . . . A 9 LYS HE3 . 34347 1 39 . 1 1 9 9 LYS HZ1 H 1 6.921 0.000 . . . . . . A 9 LYS HZ1 . 34347 1 40 . 1 1 9 9 LYS HZ2 H 1 6.921 0.000 . . . . . . A 9 LYS HZ2 . 34347 1 41 . 1 1 9 9 LYS HZ3 H 1 6.921 0.000 . . . . . . A 9 LYS HZ3 . 34347 1 42 . 1 1 9 9 LYS C C 13 177.776 0.000 . . . . . . A 9 LYS C . 34347 1 43 . 1 1 9 9 LYS CA C 13 58.234 0.338 . . . . . . A 9 LYS CA . 34347 1 44 . 1 1 9 9 LYS CB C 13 31.816 0.000 . . . . . . A 9 LYS CB . 34347 1 45 . 1 1 9 9 LYS N N 15 119.588 0.179 . . . . . . A 9 LYS N . 34347 1 46 . 1 1 11 11 ASN C C 13 176.507 0.000 . . . . . . A 11 ASN C . 34347 1 47 . 1 1 11 11 ASN CA C 13 51.400 0.000 . . . . . . A 11 ASN CA . 34347 1 48 . 1 1 11 11 ASN CB C 13 38.014 0.000 . . . . . . A 11 ASN CB . 34347 1 49 . 1 1 12 12 GLY H H 1 7.362 0.006 . . . . . . A 12 GLY H . 34347 1 50 . 1 1 12 12 GLY HA2 H 1 3.872 0.000 . . . . . . A 12 GLY HA2 . 34347 1 51 . 1 1 12 12 GLY HA3 H 1 3.785 0.000 . . . . . . A 12 GLY HA3 . 34347 1 52 . 1 1 12 12 GLY C C 13 173.272 0.000 . . . . . . A 12 GLY C . 34347 1 53 . 1 1 12 12 GLY CA C 13 45.351 0.069 . . . . . . A 12 GLY CA . 34347 1 54 . 1 1 12 12 GLY N N 15 108.638 0.066 . . . . . . A 12 GLY N . 34347 1 55 . 1 1 13 13 PRO CA C 13 63.600 0.000 . . . . . . A 13 PRO CA . 34347 1 56 . 1 1 14 14 GLU H H 1 8.793 0.000 . . . . . . A 14 GLU H . 34347 1 57 . 1 1 14 14 GLU CA C 13 56.674 0.116 . . . . . . A 14 GLU CA . 34347 1 58 . 1 1 14 14 GLU N N 15 120.831 0.026 . . . . . . A 14 GLU N . 34347 1 59 . 1 1 15 15 HIS H H 1 9.056 0.027 . . . . . . A 15 HIS H . 34347 1 60 . 1 1 15 15 HIS HA H 1 4.670 0.134 . . . . . . A 15 HIS HA . 34347 1 61 . 1 1 15 15 HIS HB2 H 1 3.038 0.000 . . . . . . A 15 HIS HB2 . 34347 1 62 . 1 1 15 15 HIS HB3 H 1 2.909 0.000 . . . . . . A 15 HIS HB3 . 34347 1 63 . 1 1 15 15 HIS CA C 13 56.580 0.315 . . . . . . A 15 HIS CA . 34347 1 64 . 1 1 15 15 HIS CB C 13 39.360 0.099 . . . . . . A 15 HIS CB . 34347 1 65 . 1 1 15 15 HIS N N 15 115.094 0.068 . . . . . . A 15 HIS N . 34347 1 66 . 1 1 16 16 TRP H H 1 7.479 0.047 . . . . . . A 16 TRP H . 34347 1 67 . 1 1 16 16 TRP HA H 1 4.657 0.000 . . . . . . A 16 TRP HA . 34347 1 68 . 1 1 16 16 TRP HB2 H 1 3.038 0.000 . . . . . . A 16 TRP HB2 . 34347 1 69 . 1 1 16 16 TRP HB3 H 1 3.038 0.000 . . . . . . A 16 TRP HB3 . 34347 1 70 . 1 1 16 16 TRP C C 13 177.109 0.000 . . . . . . A 16 TRP C . 34347 1 71 . 1 1 16 16 TRP CA C 13 57.917 0.060 . . . . . . A 16 TRP CA . 34347 1 72 . 1 1 16 16 TRP CB C 13 28.600 0.000 . . . . . . A 16 TRP CB . 34347 1 73 . 1 1 16 16 TRP N N 15 121.323 0.045 . . . . . . A 16 TRP N . 34347 1 74 . 1 1 17 17 HIS H H 1 9.084 0.024 . . . . . . A 17 HIS H . 34347 1 75 . 1 1 17 17 HIS HA H 1 4.474 0.016 . . . . . . A 17 HIS HA . 34347 1 76 . 1 1 17 17 HIS HB2 H 1 3.038 0.000 . . . . . . A 17 HIS HB2 . 34347 1 77 . 1 1 17 17 HIS HB3 H 1 3.038 0.000 . . . . . . A 17 HIS HB3 . 34347 1 78 . 1 1 17 17 HIS CA C 13 56.671 0.086 . . . . . . A 17 HIS CA . 34347 1 79 . 1 1 17 17 HIS CB C 13 29.587 0.260 . . . . . . A 17 HIS CB . 34347 1 80 . 1 1 17 17 HIS N N 15 115.084 0.039 . . . . . . A 17 HIS N . 34347 1 81 . 1 1 18 18 LYS H H 1 7.237 0.032 . . . . . . A 18 LYS H . 34347 1 82 . 1 1 18 18 LYS HA H 1 4.466 0.017 . . . . . . A 18 LYS HA . 34347 1 83 . 1 1 18 18 LYS HB2 H 1 2.026 0.000 . . . . . . A 18 LYS HB2 . 34347 1 84 . 1 1 18 18 LYS HB3 H 1 1.934 0.000 . . . . . . A 18 LYS HB3 . 34347 1 85 . 1 1 18 18 LYS HG2 H 1 1.639 0.000 . . . . . . A 18 LYS HG2 . 34347 1 86 . 1 1 18 18 LYS HG3 H 1 1.639 0.000 . . . . . . A 18 LYS HG3 . 34347 1 87 . 1 1 18 18 LYS C C 13 176.676 0.247 . . . . . . A 18 LYS C . 34347 1 88 . 1 1 18 18 LYS CA C 13 53.129 0.468 . . . . . . A 18 LYS CA . 34347 1 89 . 1 1 18 18 LYS CB C 13 30.809 0.296 . . . . . . A 18 LYS CB . 34347 1 90 . 1 1 18 18 LYS CG C 13 24.311 0.187 . . . . . . A 18 LYS CG . 34347 1 91 . 1 1 18 18 LYS CD C 13 27.988 0.158 . . . . . . A 18 LYS CD . 34347 1 92 . 1 1 18 18 LYS CE C 13 43.588 0.000 . . . . . . A 18 LYS CE . 34347 1 93 . 1 1 18 18 LYS N N 15 119.414 0.000 . . . . . . A 18 LYS N . 34347 1 94 . 1 1 19 19 ASP H H 1 7.182 0.026 . . . . . . A 19 ASP H . 34347 1 95 . 1 1 19 19 ASP HA H 1 4.515 0.069 . . . . . . A 19 ASP HA . 34347 1 96 . 1 1 19 19 ASP HB2 H 1 2.099 0.000 . . . . . . A 19 ASP HB2 . 34347 1 97 . 1 1 19 19 ASP HB3 H 1 1.972 0.035 . . . . . . A 19 ASP HB3 . 34347 1 98 . 1 1 19 19 ASP C C 13 175.549 0.058 . . . . . . A 19 ASP C . 34347 1 99 . 1 1 19 19 ASP CA C 13 54.526 0.205 . . . . . . A 19 ASP CA . 34347 1 100 . 1 1 19 19 ASP CB C 13 37.891 0.257 . . . . . . A 19 ASP CB . 34347 1 101 . 1 1 19 19 ASP N N 15 114.889 0.090 . . . . . . A 19 ASP N . 34347 1 102 . 1 1 20 20 PHE H H 1 7.978 0.019 . . . . . . A 20 PHE H . 34347 1 103 . 1 1 20 20 PHE HA H 1 4.766 0.203 . . . . . . A 20 PHE HA . 34347 1 104 . 1 1 20 20 PHE HB2 H 1 2.872 0.000 . . . . . . A 20 PHE HB2 . 34347 1 105 . 1 1 20 20 PHE HB3 H 1 2.872 0.000 . . . . . . A 20 PHE HB3 . 34347 1 106 . 1 1 20 20 PHE C C 13 174.404 0.000 . . . . . . A 20 PHE C . 34347 1 107 . 1 1 20 20 PHE CA C 13 50.944 0.246 . . . . . . A 20 PHE CA . 34347 1 108 . 1 1 20 20 PHE CB C 13 38.899 0.000 . . . . . . A 20 PHE CB . 34347 1 109 . 1 1 20 20 PHE N N 15 116.560 0.093 . . . . . . A 20 PHE N . 34347 1 110 . 1 1 21 21 PRO C C 13 178.255 0.000 . . . . . . A 21 PRO C . 34347 1 111 . 1 1 21 21 PRO CA C 13 64.894 0.087 . . . . . . A 21 PRO CA . 34347 1 112 . 1 1 21 21 PRO CB C 13 30.900 0.000 . . . . . . A 21 PRO CB . 34347 1 113 . 1 1 21 21 PRO CG C 13 26.700 0.000 . . . . . . A 21 PRO CG . 34347 1 114 . 1 1 21 21 PRO CD C 13 49.800 0.000 . . . . . . A 21 PRO CD . 34347 1 115 . 1 1 22 22 ILE H H 1 8.080 0.050 . . . . . . A 22 ILE H . 34347 1 116 . 1 1 22 22 ILE HA H 1 4.021 0.011 . . . . . . A 22 ILE HA . 34347 1 117 . 1 1 22 22 ILE HB H 1 1.823 0.000 . . . . . . A 22 ILE HB . 34347 1 118 . 1 1 22 22 ILE HG21 H 1 0.922 0.000 . . . . . . A 22 ILE HG21 . 34347 1 119 . 1 1 22 22 ILE HG22 H 1 0.922 0.000 . . . . . . A 22 ILE HG22 . 34347 1 120 . 1 1 22 22 ILE HG23 H 1 0.922 0.000 . . . . . . A 22 ILE HG23 . 34347 1 121 . 1 1 22 22 ILE HD11 H 1 0.863 0.030 . . . . . . A 22 ILE HD11 . 34347 1 122 . 1 1 22 22 ILE HD12 H 1 0.863 0.030 . . . . . . A 22 ILE HD12 . 34347 1 123 . 1 1 22 22 ILE HD13 H 1 0.863 0.030 . . . . . . A 22 ILE HD13 . 34347 1 124 . 1 1 22 22 ILE C C 13 174.075 0.121 . . . . . . A 22 ILE C . 34347 1 125 . 1 1 22 22 ILE CA C 13 61.107 0.097 . . . . . . A 22 ILE CA . 34347 1 126 . 1 1 22 22 ILE CB C 13 38.021 0.096 . . . . . . A 22 ILE CB . 34347 1 127 . 1 1 22 22 ILE CG1 C 13 28.542 0.154 . . . . . . A 22 ILE CG1 . 34347 1 128 . 1 1 22 22 ILE CG2 C 13 18.278 0.058 . . . . . . A 22 ILE CG2 . 34347 1 129 . 1 1 22 22 ILE CD1 C 13 13.969 0.156 . . . . . . A 22 ILE CD1 . 34347 1 130 . 1 1 22 22 ILE N N 15 120.906 0.167 . . . . . . A 22 ILE N . 34347 1 131 . 1 1 23 23 ALA H H 1 8.780 0.013 . . . . . . A 23 ALA H . 34347 1 132 . 1 1 23 23 ALA HA H 1 4.182 0.008 . . . . . . A 23 ALA HA . 34347 1 133 . 1 1 23 23 ALA HB1 H 1 1.366 0.003 . . . . . . A 23 ALA HB1 . 34347 1 134 . 1 1 23 23 ALA HB2 H 1 1.366 0.003 . . . . . . A 23 ALA HB2 . 34347 1 135 . 1 1 23 23 ALA HB3 H 1 1.366 0.003 . . . . . . A 23 ALA HB3 . 34347 1 136 . 1 1 23 23 ALA C C 13 179.392 0.073 . . . . . . A 23 ALA C . 34347 1 137 . 1 1 23 23 ALA CA C 13 53.087 0.069 . . . . . . A 23 ALA CA . 34347 1 138 . 1 1 23 23 ALA CB C 13 18.472 0.143 . . . . . . A 23 ALA CB . 34347 1 139 . 1 1 23 23 ALA N N 15 122.916 0.045 . . . . . . A 23 ALA N . 34347 1 140 . 1 1 24 24 LYS H H 1 7.181 0.014 . . . . . . A 24 LYS H . 34347 1 141 . 1 1 24 24 LYS HA H 1 4.439 0.000 . . . . . . A 24 LYS HA . 34347 1 142 . 1 1 24 24 LYS HB2 H 1 2.081 0.000 . . . . . . A 24 LYS HB2 . 34347 1 143 . 1 1 24 24 LYS HB3 H 1 2.081 0.000 . . . . . . A 24 LYS HB3 . 34347 1 144 . 1 1 24 24 LYS HG2 H 1 1.382 0.000 . . . . . . A 24 LYS HG2 . 34347 1 145 . 1 1 24 24 LYS HG3 H 1 1.382 0.000 . . . . . . A 24 LYS HG3 . 34347 1 146 . 1 1 24 24 LYS HD2 H 1 1.731 0.000 . . . . . . A 24 LYS HD2 . 34347 1 147 . 1 1 24 24 LYS HD3 H 1 1.731 0.000 . . . . . . A 24 LYS HD3 . 34347 1 148 . 1 1 24 24 LYS HE2 H 1 3.056 0.000 . . . . . . A 24 LYS HE2 . 34347 1 149 . 1 1 24 24 LYS HE3 H 1 3.056 0.000 . . . . . . A 24 LYS HE3 . 34347 1 150 . 1 1 24 24 LYS C C 13 175.892 0.216 . . . . . . A 24 LYS C . 34347 1 151 . 1 1 24 24 LYS CA C 13 54.482 0.015 . . . . . . A 24 LYS CA . 34347 1 152 . 1 1 24 24 LYS CB C 13 30.500 0.000 . . . . . . A 24 LYS CB . 34347 1 153 . 1 1 24 24 LYS CG C 13 24.500 0.000 . . . . . . A 24 LYS CG . 34347 1 154 . 1 1 24 24 LYS CD C 13 27.714 0.000 . . . . . . A 24 LYS CD . 34347 1 155 . 1 1 24 24 LYS CE C 13 43.389 0.000 . . . . . . A 24 LYS CE . 34347 1 156 . 1 1 24 24 LYS N N 15 114.527 0.040 . . . . . . A 24 LYS N . 34347 1 157 . 1 1 25 25 GLY H H 1 8.318 0.024 . . . . . . A 25 GLY H . 34347 1 158 . 1 1 25 25 GLY HA2 H 1 4.197 0.000 . . . . . . A 25 GLY HA2 . 34347 1 159 . 1 1 25 25 GLY HA3 H 1 4.132 0.046 . . . . . . A 25 GLY HA3 . 34347 1 160 . 1 1 25 25 GLY C C 13 173.850 0.000 . . . . . . A 25 GLY C . 34347 1 161 . 1 1 25 25 GLY CA C 13 44.356 0.173 . . . . . . A 25 GLY CA . 34347 1 162 . 1 1 25 25 GLY N N 15 108.579 0.207 . . . . . . A 25 GLY N . 34347 1 163 . 1 1 26 26 GLU H H 1 9.158 0.024 . . . . . . A 26 GLU H . 34347 1 164 . 1 1 26 26 GLU HA H 1 4.273 0.068 . . . . . . A 26 GLU HA . 34347 1 165 . 1 1 26 26 GLU HB2 H 1 1.952 0.000 . . . . . . A 26 GLU HB2 . 34347 1 166 . 1 1 26 26 GLU HB3 H 1 1.952 0.000 . . . . . . A 26 GLU HB3 . 34347 1 167 . 1 1 26 26 GLU HG2 H 1 2.339 0.000 . . . . . . A 26 GLU HG2 . 34347 1 168 . 1 1 26 26 GLU HG3 H 1 2.339 0.000 . . . . . . A 26 GLU HG3 . 34347 1 169 . 1 1 26 26 GLU C C 13 175.727 0.004 . . . . . . A 26 GLU C . 34347 1 170 . 1 1 26 26 GLU CA C 13 56.208 0.196 . . . . . . A 26 GLU CA . 34347 1 171 . 1 1 26 26 GLU CB C 13 29.865 0.111 . . . . . . A 26 GLU CB . 34347 1 172 . 1 1 26 26 GLU CG C 13 35.736 0.112 . . . . . . A 26 GLU CG . 34347 1 173 . 1 1 26 26 GLU N N 15 117.149 0.141 . . . . . . A 26 GLU N . 34347 1 174 . 1 1 27 27 ARG H H 1 8.707 0.042 . . . . . . A 27 ARG H . 34347 1 175 . 1 1 27 27 ARG HA H 1 4.146 0.000 . . . . . . A 27 ARG HA . 34347 1 176 . 1 1 27 27 ARG HB2 H 1 2.283 0.000 . . . . . . A 27 ARG HB2 . 34347 1 177 . 1 1 27 27 ARG HB3 H 1 2.283 0.000 . . . . . . A 27 ARG HB3 . 34347 1 178 . 1 1 27 27 ARG HG2 H 1 1.787 0.000 . . . . . . A 27 ARG HG2 . 34347 1 179 . 1 1 27 27 ARG HG3 H 1 1.787 0.000 . . . . . . A 27 ARG HG3 . 34347 1 180 . 1 1 27 27 ARG C C 13 175.346 0.003 . . . . . . A 27 ARG C . 34347 1 181 . 1 1 27 27 ARG CA C 13 52.814 0.169 . . . . . . A 27 ARG CA . 34347 1 182 . 1 1 27 27 ARG CB C 13 30.651 0.237 . . . . . . A 27 ARG CB . 34347 1 183 . 1 1 27 27 ARG CG C 13 25.766 0.002 . . . . . . A 27 ARG CG . 34347 1 184 . 1 1 27 27 ARG CD C 13 41.440 0.000 . . . . . . A 27 ARG CD . 34347 1 185 . 1 1 27 27 ARG CZ C 13 60.100 0.000 . . . . . . A 27 ARG CZ . 34347 1 186 . 1 1 27 27 ARG N N 15 120.989 0.118 . . . . . . A 27 ARG N . 34347 1 187 . 1 1 28 28 GLN H H 1 7.756 0.031 . . . . . . A 28 GLN H . 34347 1 188 . 1 1 28 28 GLN HA H 1 4.404 0.081 . . . . . . A 28 GLN HA . 34347 1 189 . 1 1 28 28 GLN HB2 H 1 2.247 0.000 . . . . . . A 28 GLN HB2 . 34347 1 190 . 1 1 28 28 GLN HB3 H 1 1.731 0.000 . . . . . . A 28 GLN HB3 . 34347 1 191 . 1 1 28 28 GLN C C 13 177.643 0.017 . . . . . . A 28 GLN C . 34347 1 192 . 1 1 28 28 GLN CA C 13 54.684 0.214 . . . . . . A 28 GLN CA . 34347 1 193 . 1 1 28 28 GLN CB C 13 31.039 0.117 . . . . . . A 28 GLN CB . 34347 1 194 . 1 1 28 28 GLN CG C 13 34.408 0.000 . . . . . . A 28 GLN CG . 34347 1 195 . 1 1 28 28 GLN N N 15 115.869 0.186 . . . . . . A 28 GLN N . 34347 1 196 . 1 1 29 29 SER H H 1 8.022 0.028 . . . . . . A 29 SER H . 34347 1 197 . 1 1 29 29 SER HA H 1 4.639 0.000 . . . . . . A 29 SER HA . 34347 1 198 . 1 1 29 29 SER HB2 H 1 4.133 0.029 . . . . . . A 29 SER HB2 . 34347 1 199 . 1 1 29 29 SER HB3 H 1 4.133 0.029 . . . . . . A 29 SER HB3 . 34347 1 200 . 1 1 29 29 SER C C 13 170.241 0.000 . . . . . . A 29 SER C . 34347 1 201 . 1 1 29 29 SER CA C 13 56.900 0.001 . . . . . . A 29 SER CA . 34347 1 202 . 1 1 29 29 SER CB C 13 63.531 0.029 . . . . . . A 29 SER CB . 34347 1 203 . 1 1 29 29 SER N N 15 117.354 0.141 . . . . . . A 29 SER N . 34347 1 204 . 1 1 30 30 PRO C C 13 172.581 0.000 . . . . . . A 30 PRO C . 34347 1 205 . 1 1 30 30 PRO CA C 13 63.175 0.000 . . . . . . A 30 PRO CA . 34347 1 206 . 1 1 30 30 PRO CB C 13 32.600 0.000 . . . . . . A 30 PRO CB . 34347 1 207 . 1 1 30 30 PRO CG C 13 25.100 0.000 . . . . . . A 30 PRO CG . 34347 1 208 . 1 1 31 31 VAL H H 1 6.253 0.031 . . . . . . A 31 VAL H . 34347 1 209 . 1 1 31 31 VAL HA H 1 4.522 0.016 . . . . . . A 31 VAL HA . 34347 1 210 . 1 1 31 31 VAL HB H 1 1.952 0.000 . . . . . . A 31 VAL HB . 34347 1 211 . 1 1 31 31 VAL HG21 H 1 -0.090 0.000 . . . . . . A 31 VAL HG21 . 34347 1 212 . 1 1 31 31 VAL HG22 H 1 -0.090 0.000 . . . . . . A 31 VAL HG22 . 34347 1 213 . 1 1 31 31 VAL HG23 H 1 -0.090 0.000 . . . . . . A 31 VAL HG23 . 34347 1 214 . 1 1 31 31 VAL C C 13 173.621 0.121 . . . . . . A 31 VAL C . 34347 1 215 . 1 1 31 31 VAL CA C 13 58.550 0.211 . . . . . . A 31 VAL CA . 34347 1 216 . 1 1 31 31 VAL CB C 13 34.800 0.000 . . . . . . A 31 VAL CB . 34347 1 217 . 1 1 31 31 VAL CG1 C 13 20.400 0.000 . . . . . . A 31 VAL CG1 . 34347 1 218 . 1 1 31 31 VAL CG2 C 13 15.700 0.000 . . . . . . A 31 VAL CG2 . 34347 1 219 . 1 1 31 31 VAL N N 15 106.460 0.249 . . . . . . A 31 VAL N . 34347 1 220 . 1 1 32 32 ASP H H 1 8.306 0.041 . . . . . . A 32 ASP H . 34347 1 221 . 1 1 32 32 ASP HA H 1 4.718 0.003 . . . . . . A 32 ASP HA . 34347 1 222 . 1 1 32 32 ASP HB2 H 1 2.927 0.000 . . . . . . A 32 ASP HB2 . 34347 1 223 . 1 1 32 32 ASP HB3 H 1 2.799 0.000 . . . . . . A 32 ASP HB3 . 34347 1 224 . 1 1 32 32 ASP C C 13 174.419 0.037 . . . . . . A 32 ASP C . 34347 1 225 . 1 1 32 32 ASP CA C 13 52.631 0.117 . . . . . . A 32 ASP CA . 34347 1 226 . 1 1 32 32 ASP CB C 13 41.568 0.176 . . . . . . A 32 ASP CB . 34347 1 227 . 1 1 32 32 ASP N N 15 117.953 0.253 . . . . . . A 32 ASP N . 34347 1 228 . 1 1 33 33 ILE H H 1 8.719 0.034 . . . . . . A 33 ILE H . 34347 1 229 . 1 1 33 33 ILE HA H 1 3.921 0.088 . . . . . . A 33 ILE HA . 34347 1 230 . 1 1 33 33 ILE HB H 1 2.136 0.000 . . . . . . A 33 ILE HB . 34347 1 231 . 1 1 33 33 ILE HD11 H 1 0.609 0.000 . . . . . . A 33 ILE HD11 . 34347 1 232 . 1 1 33 33 ILE HD12 H 1 0.609 0.000 . . . . . . A 33 ILE HD12 . 34347 1 233 . 1 1 33 33 ILE HD13 H 1 0.609 0.000 . . . . . . A 33 ILE HD13 . 34347 1 234 . 1 1 33 33 ILE C C 13 172.977 0.008 . . . . . . A 33 ILE C . 34347 1 235 . 1 1 33 33 ILE CA C 13 60.538 0.335 . . . . . . A 33 ILE CA . 34347 1 236 . 1 1 33 33 ILE CB C 13 36.465 0.000 . . . . . . A 33 ILE CB . 34347 1 237 . 1 1 33 33 ILE CG1 C 13 26.300 0.000 . . . . . . A 33 ILE CG1 . 34347 1 238 . 1 1 33 33 ILE CG2 C 13 13.812 0.000 . . . . . . A 33 ILE CG2 . 34347 1 239 . 1 1 33 33 ILE CD1 C 13 11.622 0.000 . . . . . . A 33 ILE CD1 . 34347 1 240 . 1 1 33 33 ILE N N 15 127.586 0.306 . . . . . . A 33 ILE N . 34347 1 241 . 1 1 34 34 ASP H H 1 7.495 0.032 . . . . . . A 34 ASP H . 34347 1 242 . 1 1 34 34 ASP HA H 1 4.817 0.317 . . . . . . A 34 ASP HA . 34347 1 243 . 1 1 34 34 ASP HB2 H 1 2.375 0.000 . . . . . . A 34 ASP HB2 . 34347 1 244 . 1 1 34 34 ASP HB3 H 1 2.375 0.000 . . . . . . A 34 ASP HB3 . 34347 1 245 . 1 1 34 34 ASP C C 13 177.918 0.016 . . . . . . A 34 ASP C . 34347 1 246 . 1 1 34 34 ASP CA C 13 51.717 0.199 . . . . . . A 34 ASP CA . 34347 1 247 . 1 1 34 34 ASP CB C 13 40.780 0.172 . . . . . . A 34 ASP CB . 34347 1 248 . 1 1 34 34 ASP N N 15 127.797 0.185 . . . . . . A 34 ASP N . 34347 1 249 . 1 1 35 35 THR H H 1 10.069 0.048 . . . . . . A 35 THR H . 34347 1 250 . 1 1 35 35 THR HA H 1 3.647 0.134 . . . . . . A 35 THR HA . 34347 1 251 . 1 1 35 35 THR HB H 1 4.558 0.013 . . . . . . A 35 THR HB . 34347 1 252 . 1 1 35 35 THR HG21 H 1 1.259 0.000 . . . . . . A 35 THR HG1 . 34347 1 253 . 1 1 35 35 THR HG22 H 1 1.259 0.000 . . . . . . A 35 THR HG1 . 34347 1 254 . 1 1 35 35 THR HG23 H 1 1.259 0.000 . . . . . . A 35 THR HG1 . 34347 1 255 . 1 1 35 35 THR C C 13 177.119 0.058 . . . . . . A 35 THR C . 34347 1 256 . 1 1 35 35 THR CA C 13 64.964 0.326 . . . . . . A 35 THR CA . 34347 1 257 . 1 1 35 35 THR CB C 13 68.166 0.224 . . . . . . A 35 THR CB . 34347 1 258 . 1 1 35 35 THR CG2 C 13 21.170 0.000 . . . . . . A 35 THR CG2 . 34347 1 259 . 1 1 35 35 THR N N 15 121.710 0.318 . . . . . . A 35 THR N . 34347 1 260 . 1 1 36 36 HIS H H 1 8.278 0.034 . . . . . . A 36 HIS H . 34347 1 261 . 1 1 36 36 HIS HA H 1 4.878 0.000 . . . . . . A 36 HIS HA . 34347 1 262 . 1 1 36 36 HIS HB2 H 1 3.296 0.000 . . . . . . A 36 HIS HB2 . 34347 1 263 . 1 1 36 36 HIS HB3 H 1 3.204 0.000 . . . . . . A 36 HIS HB3 . 34347 1 264 . 1 1 36 36 HIS CA C 13 58.253 0.284 . . . . . . A 36 HIS CA . 34347 1 265 . 1 1 36 36 HIS CB C 13 29.778 0.000 . . . . . . A 36 HIS CB . 34347 1 266 . 1 1 36 36 HIS N N 15 119.777 0.173 . . . . . . A 36 HIS N . 34347 1 267 . 1 1 37 37 THR H H 1 7.555 0.025 . . . . . . A 37 THR H . 34347 1 268 . 1 1 37 37 THR HA H 1 4.326 0.113 . . . . . . A 37 THR HA . 34347 1 269 . 1 1 37 37 THR HB H 1 4.329 0.026 . . . . . . A 37 THR HB . 34347 1 270 . 1 1 37 37 THR HG21 H 1 1.045 0.068 . . . . . . A 37 THR HG21 . 34347 1 271 . 1 1 37 37 THR HG22 H 1 1.045 0.068 . . . . . . A 37 THR HG22 . 34347 1 272 . 1 1 37 37 THR HG23 H 1 1.045 0.068 . . . . . . A 37 THR HG23 . 34347 1 273 . 1 1 37 37 THR C C 13 173.943 0.054 . . . . . . A 37 THR C . 34347 1 274 . 1 1 37 37 THR CA C 13 61.507 0.207 . . . . . . A 37 THR CA . 34347 1 275 . 1 1 37 37 THR CB C 13 68.978 0.261 . . . . . . A 37 THR CB . 34347 1 276 . 1 1 37 37 THR CG2 C 13 22.321 0.970 . . . . . . A 37 THR CG2 . 34347 1 277 . 1 1 37 37 THR N N 15 108.028 0.210 . . . . . . A 37 THR N . 34347 1 278 . 1 1 38 38 ALA H H 1 6.982 0.020 . . . . . . A 38 ALA H . 34347 1 279 . 1 1 38 38 ALA HA H 1 4.362 0.025 . . . . . . A 38 ALA HA . 34347 1 280 . 1 1 38 38 ALA HB1 H 1 1.179 0.000 . . . . . . A 38 ALA HB1 . 34347 1 281 . 1 1 38 38 ALA HB2 H 1 1.179 0.000 . . . . . . A 38 ALA HB2 . 34347 1 282 . 1 1 38 38 ALA HB3 H 1 1.179 0.000 . . . . . . A 38 ALA HB3 . 34347 1 283 . 1 1 38 38 ALA C C 13 175.527 0.088 . . . . . . A 38 ALA C . 34347 1 284 . 1 1 38 38 ALA CA C 13 51.794 0.086 . . . . . . A 38 ALA CA . 34347 1 285 . 1 1 38 38 ALA CB C 13 17.442 0.018 . . . . . . A 38 ALA CB . 34347 1 286 . 1 1 38 38 ALA N N 15 124.399 0.141 . . . . . . A 38 ALA N . 34347 1 287 . 1 1 39 39 LYS H H 1 8.303 0.026 . . . . . . A 39 LYS H . 34347 1 288 . 1 1 39 39 LYS HA H 1 5.189 0.238 . . . . . . A 39 LYS HA . 34347 1 289 . 1 1 39 39 LYS HB2 H 1 1.860 0.000 . . . . . . A 39 LYS HB2 . 34347 1 290 . 1 1 39 39 LYS HB3 H 1 1.860 0.000 . . . . . . A 39 LYS HB3 . 34347 1 291 . 1 1 39 39 LYS HG2 H 1 1.179 0.000 . . . . . . A 39 LYS HG2 . 34347 1 292 . 1 1 39 39 LYS HG3 H 1 1.179 0.000 . . . . . . A 39 LYS HG3 . 34347 1 293 . 1 1 39 39 LYS HD2 H 1 1.731 0.000 . . . . . . A 39 LYS HD2 . 34347 1 294 . 1 1 39 39 LYS HD3 H 1 1.731 0.000 . . . . . . A 39 LYS HD3 . 34347 1 295 . 1 1 39 39 LYS HE2 H 1 2.486 0.000 . . . . . . A 39 LYS HE2 . 34347 1 296 . 1 1 39 39 LYS HE3 H 1 2.486 0.000 . . . . . . A 39 LYS HE3 . 34347 1 297 . 1 1 39 39 LYS C C 13 176.267 0.075 . . . . . . A 39 LYS C . 34347 1 298 . 1 1 39 39 LYS CA C 13 54.664 0.369 . . . . . . A 39 LYS CA . 34347 1 299 . 1 1 39 39 LYS CB C 13 33.973 0.041 . . . . . . A 39 LYS CB . 34347 1 300 . 1 1 39 39 LYS CG C 13 23.512 0.118 . . . . . . A 39 LYS CG . 34347 1 301 . 1 1 39 39 LYS CD C 13 28.223 0.000 . . . . . . A 39 LYS CD . 34347 1 302 . 1 1 39 39 LYS CE C 13 42.226 0.093 . . . . . . A 39 LYS CE . 34347 1 303 . 1 1 39 39 LYS N N 15 122.097 0.187 . . . . . . A 39 LYS N . 34347 1 304 . 1 1 40 40 TYR H H 1 8.999 0.060 . . . . . . A 40 TYR H . 34347 1 305 . 1 1 40 40 TYR HA H 1 4.668 0.001 . . . . . . A 40 TYR HA . 34347 1 306 . 1 1 40 40 TYR HB2 H 1 3.001 0.000 . . . . . . A 40 TYR HB2 . 34347 1 307 . 1 1 40 40 TYR HB3 H 1 2.541 0.000 . . . . . . A 40 TYR HB3 . 34347 1 308 . 1 1 40 40 TYR C C 13 174.633 0.006 . . . . . . A 40 TYR C . 34347 1 309 . 1 1 40 40 TYR CA C 13 56.674 0.095 . . . . . . A 40 TYR CA . 34347 1 310 . 1 1 40 40 TYR CB C 13 36.731 0.194 . . . . . . A 40 TYR CB . 34347 1 311 . 1 1 40 40 TYR N N 15 128.745 0.275 . . . . . . A 40 TYR N . 34347 1 312 . 1 1 41 41 ASP H H 1 7.648 0.021 . . . . . . A 41 ASP H . 34347 1 313 . 1 1 41 41 ASP HA H 1 4.803 0.140 . . . . . . A 41 ASP HA . 34347 1 314 . 1 1 41 41 ASP HB2 H 1 2.670 0.000 . . . . . . A 41 ASP HB2 . 34347 1 315 . 1 1 41 41 ASP HB3 H 1 2.283 0.000 . . . . . . A 41 ASP HB3 . 34347 1 316 . 1 1 41 41 ASP C C 13 174.174 0.000 . . . . . . A 41 ASP C . 34347 1 317 . 1 1 41 41 ASP CA C 13 48.352 0.244 . . . . . . A 41 ASP CA . 34347 1 318 . 1 1 41 41 ASP CB C 13 41.892 0.228 . . . . . . A 41 ASP CB . 34347 1 319 . 1 1 41 41 ASP N N 15 128.855 0.161 . . . . . . A 41 ASP N . 34347 1 320 . 1 1 42 42 PRO C C 13 176.434 0.000 . . . . . . A 42 PRO C . 34347 1 321 . 1 1 42 42 PRO CA C 13 62.423 0.063 . . . . . . A 42 PRO CA . 34347 1 322 . 1 1 42 42 PRO CB C 13 32.849 0.000 . . . . . . A 42 PRO CB . 34347 1 323 . 1 1 42 42 PRO CG C 13 25.500 0.000 . . . . . . A 42 PRO CG . 34347 1 324 . 1 1 42 42 PRO CD C 13 50.500 0.000 . . . . . . A 42 PRO CD . 34347 1 325 . 1 1 43 43 SER H H 1 8.332 0.025 . . . . . . A 43 SER H . 34347 1 326 . 1 1 43 43 SER HA H 1 4.519 0.322 . . . . . . A 43 SER HA . 34347 1 327 . 1 1 43 43 SER HB2 H 1 4.142 0.000 . . . . . . A 43 SER HB2 . 34347 1 328 . 1 1 43 43 SER HB3 H 1 3.811 0.000 . . . . . . A 43 SER HB3 . 34347 1 329 . 1 1 43 43 SER C C 13 175.328 0.034 . . . . . . A 43 SER C . 34347 1 330 . 1 1 43 43 SER CA C 13 58.685 0.182 . . . . . . A 43 SER CA . 34347 1 331 . 1 1 43 43 SER CB C 13 63.219 0.049 . . . . . . A 43 SER CB . 34347 1 332 . 1 1 43 43 SER N N 15 114.234 0.121 . . . . . . A 43 SER N . 34347 1 333 . 1 1 44 44 LEU H H 1 6.981 0.023 . . . . . . A 44 LEU H . 34347 1 334 . 1 1 44 44 LEU HA H 1 4.008 0.035 . . . . . . A 44 LEU HA . 34347 1 335 . 1 1 44 44 LEU HB2 H 1 1.621 0.000 . . . . . . A 44 LEU HB2 . 34347 1 336 . 1 1 44 44 LEU HB3 H 1 1.621 0.000 . . . . . . A 44 LEU HB3 . 34347 1 337 . 1 1 44 44 LEU HG H 1 1.511 0.000 . . . . . . A 44 LEU HG . 34347 1 338 . 1 1 44 44 LEU HD21 H 1 0.830 0.000 . . . . . . A 44 LEU HD21 . 34347 1 339 . 1 1 44 44 LEU HD22 H 1 0.830 0.000 . . . . . . A 44 LEU HD22 . 34347 1 340 . 1 1 44 44 LEU HD23 H 1 0.830 0.000 . . . . . . A 44 LEU HD23 . 34347 1 341 . 1 1 44 44 LEU C C 13 176.692 0.000 . . . . . . A 44 LEU C . 34347 1 342 . 1 1 44 44 LEU CA C 13 54.482 0.083 . . . . . . A 44 LEU CA . 34347 1 343 . 1 1 44 44 LEU CB C 13 39.552 0.090 . . . . . . A 44 LEU CB . 34347 1 344 . 1 1 44 44 LEU CG C 13 25.477 0.085 . . . . . . A 44 LEU CG . 34347 1 345 . 1 1 44 44 LEU CD1 C 13 24.495 0.000 . . . . . . A 44 LEU CD1 . 34347 1 346 . 1 1 44 44 LEU CD2 C 13 21.335 0.146 . . . . . . A 44 LEU CD2 . 34347 1 347 . 1 1 44 44 LEU N N 15 122.723 0.256 . . . . . . A 44 LEU N . 34347 1 348 . 1 1 45 45 LYS H H 1 7.454 0.032 . . . . . . A 45 LYS H . 34347 1 349 . 1 1 45 45 LYS HA H 1 4.601 0.060 . . . . . . A 45 LYS HA . 34347 1 350 . 1 1 45 45 LYS HB2 H 1 1.805 0.000 . . . . . . A 45 LYS HB2 . 34347 1 351 . 1 1 45 45 LYS HB3 H 1 1.805 0.000 . . . . . . A 45 LYS HB3 . 34347 1 352 . 1 1 45 45 LYS HG2 H 1 1.474 0.000 . . . . . . A 45 LYS HG2 . 34347 1 353 . 1 1 45 45 LYS HG3 H 1 1.474 0.000 . . . . . . A 45 LYS HG3 . 34347 1 354 . 1 1 45 45 LYS HD2 H 1 1.639 0.000 . . . . . . A 45 LYS HD2 . 34347 1 355 . 1 1 45 45 LYS HD3 H 1 1.639 0.000 . . . . . . A 45 LYS HD3 . 34347 1 356 . 1 1 45 45 LYS HE2 H 1 3.075 0.000 . . . . . . A 45 LYS HE2 . 34347 1 357 . 1 1 45 45 LYS HE3 H 1 3.075 0.000 . . . . . . A 45 LYS HE3 . 34347 1 358 . 1 1 45 45 LYS C C 13 174.434 0.000 . . . . . . A 45 LYS C . 34347 1 359 . 1 1 45 45 LYS CA C 13 53.637 0.155 . . . . . . A 45 LYS CA . 34347 1 360 . 1 1 45 45 LYS CB C 13 30.794 0.019 . . . . . . A 45 LYS CB . 34347 1 361 . 1 1 45 45 LYS CG C 13 24.376 0.089 . . . . . . A 45 LYS CG . 34347 1 362 . 1 1 45 45 LYS CD C 13 27.942 0.118 . . . . . . A 45 LYS CD . 34347 1 363 . 1 1 45 45 LYS CE C 13 39.546 0.216 . . . . . . A 45 LYS CE . 34347 1 364 . 1 1 45 45 LYS N N 15 122.912 0.144 . . . . . . A 45 LYS N . 34347 1 365 . 1 1 46 46 PRO C C 13 177.970 0.000 . . . . . . A 46 PRO C . 34347 1 366 . 1 1 46 46 PRO CA C 13 62.694 0.087 . . . . . . A 46 PRO CA . 34347 1 367 . 1 1 46 46 PRO CB C 13 31.000 0.000 . . . . . . A 46 PRO CB . 34347 1 368 . 1 1 46 46 PRO CG C 13 27.400 0.000 . . . . . . A 46 PRO CG . 34347 1 369 . 1 1 46 46 PRO CD C 13 49.800 0.000 . . . . . . A 46 PRO CD . 34347 1 370 . 1 1 47 47 LEU H H 1 8.836 0.043 . . . . . . A 47 LEU H . 34347 1 371 . 1 1 47 47 LEU HA H 1 4.100 0.095 . . . . . . A 47 LEU HA . 34347 1 372 . 1 1 47 47 LEU HB2 H 1 1.989 0.000 . . . . . . A 47 LEU HB2 . 34347 1 373 . 1 1 47 47 LEU HB3 H 1 1.989 0.000 . . . . . . A 47 LEU HB3 . 34347 1 374 . 1 1 47 47 LEU HG H 1 1.419 0.000 . . . . . . A 47 LEU HG . 34347 1 375 . 1 1 47 47 LEU HD21 H 1 0.774 0.000 . . . . . . A 47 LEU HD21 . 34347 1 376 . 1 1 47 47 LEU HD22 H 1 0.774 0.000 . . . . . . A 47 LEU HD22 . 34347 1 377 . 1 1 47 47 LEU HD23 H 1 0.774 0.000 . . . . . . A 47 LEU HD23 . 34347 1 378 . 1 1 47 47 LEU C C 13 175.600 0.000 . . . . . . A 47 LEU C . 34347 1 379 . 1 1 47 47 LEU CA C 13 54.769 0.208 . . . . . . A 47 LEU CA . 34347 1 380 . 1 1 47 47 LEU CB C 13 42.617 0.071 . . . . . . A 47 LEU CB . 34347 1 381 . 1 1 47 47 LEU CG C 13 25.386 0.046 . . . . . . A 47 LEU CG . 34347 1 382 . 1 1 47 47 LEU CD1 C 13 23.913 0.032 . . . . . . A 47 LEU CD1 . 34347 1 383 . 1 1 47 47 LEU CD2 C 13 19.702 0.093 . . . . . . A 47 LEU CD2 . 34347 1 384 . 1 1 47 47 LEU N N 15 124.798 0.245 . . . . . . A 47 LEU N . 34347 1 385 . 1 1 48 48 SER H H 1 8.385 0.027 . . . . . . A 48 SER H . 34347 1 386 . 1 1 48 48 SER HA H 1 4.536 0.050 . . . . . . A 48 SER HA . 34347 1 387 . 1 1 48 48 SER HB2 H 1 3.498 0.000 . . . . . . A 48 SER HB2 . 34347 1 388 . 1 1 48 48 SER HB3 H 1 3.567 0.000 . . . . . . A 48 SER HB3 . 34347 1 389 . 1 1 48 48 SER C C 13 172.247 0.101 . . . . . . A 48 SER C . 34347 1 390 . 1 1 48 48 SER CA C 13 55.815 0.279 . . . . . . A 48 SER CA . 34347 1 391 . 1 1 48 48 SER CB C 13 62.603 0.142 . . . . . . A 48 SER CB . 34347 1 392 . 1 1 48 48 SER N N 15 118.620 0.104 . . . . . . A 48 SER N . 34347 1 393 . 1 1 49 49 VAL H H 1 8.558 0.043 . . . . . . A 49 VAL H . 34347 1 394 . 1 1 49 49 VAL HA H 1 3.966 0.042 . . . . . . A 49 VAL HA . 34347 1 395 . 1 1 49 49 VAL HB H 1 1.529 0.000 . . . . . . A 49 VAL HB . 34347 1 396 . 1 1 49 49 VAL HG21 H 1 0.388 0.000 . . . . . . A 49 VAL HG21 . 34347 1 397 . 1 1 49 49 VAL HG22 H 1 0.388 0.000 . . . . . . A 49 VAL HG22 . 34347 1 398 . 1 1 49 49 VAL HG23 H 1 0.388 0.000 . . . . . . A 49 VAL HG23 . 34347 1 399 . 1 1 49 49 VAL C C 13 175.400 0.000 . . . . . . A 49 VAL C . 34347 1 400 . 1 1 49 49 VAL CA C 13 62.957 0.338 . . . . . . A 49 VAL CA . 34347 1 401 . 1 1 49 49 VAL CB C 13 38.826 0.000 . . . . . . A 49 VAL CB . 34347 1 402 . 1 1 49 49 VAL CG1 C 13 19.000 0.000 . . . . . . A 49 VAL CG1 . 34347 1 403 . 1 1 49 49 VAL CG2 C 13 19.000 0.000 . . . . . . A 49 VAL CG2 . 34347 1 404 . 1 1 49 49 VAL N N 15 125.725 0.137 . . . . . . A 49 VAL N . 34347 1 405 . 1 1 50 50 SER H H 1 8.436 0.020 . . . . . . A 50 SER H . 34347 1 406 . 1 1 50 50 SER HA H 1 5.283 0.000 . . . . . . A 50 SER HA . 34347 1 407 . 1 1 50 50 SER HB2 H 1 3.884 0.000 . . . . . . A 50 SER HB2 . 34347 1 408 . 1 1 50 50 SER HB3 H 1 3.884 0.000 . . . . . . A 50 SER HB3 . 34347 1 409 . 1 1 50 50 SER C C 13 173.993 0.000 . . . . . . A 50 SER C . 34347 1 410 . 1 1 50 50 SER CA C 13 57.470 0.310 . . . . . . A 50 SER CA . 34347 1 411 . 1 1 50 50 SER CB C 13 62.584 0.000 . . . . . . A 50 SER CB . 34347 1 412 . 1 1 50 50 SER N N 15 121.978 0.037 . . . . . . A 50 SER N . 34347 1 413 . 1 1 51 51 TYR H H 1 8.863 0.163 . . . . . . A 51 TYR H . 34347 1 414 . 1 1 51 51 TYR HA H 1 5.917 0.207 . . . . . . A 51 TYR HA . 34347 1 415 . 1 1 51 51 TYR HB2 H 1 3.130 0.000 . . . . . . A 51 TYR HB2 . 34347 1 416 . 1 1 51 51 TYR HB3 H 1 2.688 0.000 . . . . . . A 51 TYR HB3 . 34347 1 417 . 1 1 51 51 TYR C C 13 176.046 0.000 . . . . . . A 51 TYR C . 34347 1 418 . 1 1 51 51 TYR CA C 13 52.829 0.539 . . . . . . A 51 TYR CA . 34347 1 419 . 1 1 51 51 TYR CB C 13 40.315 0.946 . . . . . . A 51 TYR CB . 34347 1 420 . 1 1 51 51 TYR N N 15 123.628 0.055 . . . . . . A 51 TYR N . 34347 1 421 . 1 1 52 52 ASP H H 1 8.763 0.081 . . . . . . A 52 ASP H . 34347 1 422 . 1 1 52 52 ASP HA H 1 4.267 0.051 . . . . . . A 52 ASP HA . 34347 1 423 . 1 1 52 52 ASP HB2 H 1 2.739 0.000 . . . . . . A 52 ASP HB2 . 34347 1 424 . 1 1 52 52 ASP HB3 H 1 2.283 0.000 . . . . . . A 52 ASP HB3 . 34347 1 425 . 1 1 52 52 ASP C C 13 175.826 0.286 . . . . . . A 52 ASP C . 34347 1 426 . 1 1 52 52 ASP CA C 13 55.784 0.195 . . . . . . A 52 ASP CA . 34347 1 427 . 1 1 52 52 ASP CB C 13 41.672 0.139 . . . . . . A 52 ASP CB . 34347 1 428 . 1 1 52 52 ASP N N 15 121.190 0.037 . . . . . . A 52 ASP N . 34347 1 429 . 1 1 53 53 GLN H H 1 8.735 0.054 . . . . . . A 53 GLN H . 34347 1 430 . 1 1 53 53 GLN HA H 1 4.554 0.024 . . . . . . A 53 GLN HA . 34347 1 431 . 1 1 53 53 GLN HB2 H 1 2.688 0.000 . . . . . . A 53 GLN HB2 . 34347 1 432 . 1 1 53 53 GLN HB3 H 1 2.688 0.000 . . . . . . A 53 GLN HB3 . 34347 1 433 . 1 1 53 53 GLN HG2 H 1 2.594 0.000 . . . . . . A 53 GLN HG2 . 34347 1 434 . 1 1 53 53 GLN HG3 H 1 2.594 0.000 . . . . . . A 53 GLN HG3 . 34347 1 435 . 1 1 53 53 GLN C C 13 174.961 0.000 . . . . . . A 53 GLN C . 34347 1 436 . 1 1 53 53 GLN CA C 13 53.533 0.152 . . . . . . A 53 GLN CA . 34347 1 437 . 1 1 53 53 GLN CB C 13 30.857 0.000 . . . . . . A 53 GLN CB . 34347 1 438 . 1 1 53 53 GLN CG C 13 34.000 0.000 . . . . . . A 53 GLN CG . 34347 1 439 . 1 1 53 53 GLN N N 15 114.986 0.100 . . . . . . A 53 GLN N . 34347 1 440 . 1 1 54 54 ALA H H 1 7.232 0.018 . . . . . . A 54 ALA H . 34347 1 441 . 1 1 54 54 ALA HA H 1 4.088 0.283 . . . . . . A 54 ALA HA . 34347 1 442 . 1 1 54 54 ALA HB1 H 1 1.345 0.000 . . . . . . A 54 ALA HB1 . 34347 1 443 . 1 1 54 54 ALA HB2 H 1 1.345 0.000 . . . . . . A 54 ALA HB2 . 34347 1 444 . 1 1 54 54 ALA HB3 H 1 1.345 0.000 . . . . . . A 54 ALA HB3 . 34347 1 445 . 1 1 54 54 ALA C C 13 177.822 0.033 . . . . . . A 54 ALA C . 34347 1 446 . 1 1 54 54 ALA CA C 13 52.825 0.119 . . . . . . A 54 ALA CA . 34347 1 447 . 1 1 54 54 ALA CB C 13 18.703 0.006 . . . . . . A 54 ALA CB . 34347 1 448 . 1 1 54 54 ALA N N 15 119.042 0.196 . . . . . . A 54 ALA N . 34347 1 449 . 1 1 55 55 THR H H 1 9.252 0.023 . . . . . . A 55 THR H . 34347 1 450 . 1 1 55 55 THR HA H 1 4.838 0.024 . . . . . . A 55 THR HA . 34347 1 451 . 1 1 55 55 THR HB H 1 4.013 0.000 . . . . . . A 55 THR HB . 34347 1 452 . 1 1 55 55 THR HG21 H 1 1.335 0.014 . . . . . . A 55 THR HG21 . 34347 1 453 . 1 1 55 55 THR HG22 H 1 1.335 0.014 . . . . . . A 55 THR HG22 . 34347 1 454 . 1 1 55 55 THR HG23 H 1 1.335 0.014 . . . . . . A 55 THR HG23 . 34347 1 455 . 1 1 55 55 THR C C 13 173.101 0.027 . . . . . . A 55 THR C . 34347 1 456 . 1 1 55 55 THR CA C 13 60.269 0.221 . . . . . . A 55 THR CA . 34347 1 457 . 1 1 55 55 THR CB C 13 71.211 0.047 . . . . . . A 55 THR CB . 34347 1 458 . 1 1 55 55 THR CG2 C 13 20.490 0.198 . . . . . . A 55 THR CG2 . 34347 1 459 . 1 1 55 55 THR N N 15 120.211 0.127 . . . . . . A 55 THR N . 34347 1 460 . 1 1 56 56 SER H H 1 9.685 0.033 . . . . . . A 56 SER H . 34347 1 461 . 1 1 56 56 SER HA H 1 4.381 0.025 . . . . . . A 56 SER HA . 34347 1 462 . 1 1 56 56 SER HB2 H 1 3.568 0.001 . . . . . . A 56 SER HB2 . 34347 1 463 . 1 1 56 56 SER HB3 H 1 3.498 0.000 . . . . . . A 56 SER HB3 . 34347 1 464 . 1 1 56 56 SER C C 13 173.765 0.184 . . . . . . A 56 SER C . 34347 1 465 . 1 1 56 56 SER CA C 13 58.267 0.180 . . . . . . A 56 SER CA . 34347 1 466 . 1 1 56 56 SER CB C 13 63.012 0.120 . . . . . . A 56 SER CB . 34347 1 467 . 1 1 56 56 SER N N 15 126.414 0.203 . . . . . . A 56 SER N . 34347 1 468 . 1 1 57 57 LEU H H 1 8.842 0.027 . . . . . . A 57 LEU H . 34347 1 469 . 1 1 57 57 LEU HA H 1 4.657 0.032 . . . . . . A 57 LEU HA . 34347 1 470 . 1 1 57 57 LEU HB2 H 1 2.759 0.000 . . . . . . A 57 LEU HB2 . 34347 1 471 . 1 1 57 57 LEU HB3 H 1 2.759 0.000 . . . . . . A 57 LEU HB3 . 34347 1 472 . 1 1 57 57 LEU HG H 1 1.417 0.069 . . . . . . A 57 LEU HG . 34347 1 473 . 1 1 57 57 LEU HD21 H 1 0.903 0.000 . . . . . . A 57 LEU HD21 . 34347 1 474 . 1 1 57 57 LEU HD22 H 1 0.903 0.000 . . . . . . A 57 LEU HD22 . 34347 1 475 . 1 1 57 57 LEU HD23 H 1 0.903 0.000 . . . . . . A 57 LEU HD23 . 34347 1 476 . 1 1 57 57 LEU C C 13 176.438 0.000 . . . . . . A 57 LEU C . 34347 1 477 . 1 1 57 57 LEU CA C 13 55.024 0.314 . . . . . . A 57 LEU CA . 34347 1 478 . 1 1 57 57 LEU CB C 13 44.700 0.100 . . . . . . A 57 LEU CB . 34347 1 479 . 1 1 57 57 LEU CG C 13 25.973 0.199 . . . . . . A 57 LEU CG . 34347 1 480 . 1 1 57 57 LEU CD1 C 13 25.015 0.056 . . . . . . A 57 LEU CD1 . 34347 1 481 . 1 1 57 57 LEU CD2 C 13 21.679 0.130 . . . . . . A 57 LEU CD2 . 34347 1 482 . 1 1 57 57 LEU N N 15 116.917 0.093 . . . . . . A 57 LEU N . 34347 1 483 . 1 1 58 58 ARG H H 1 7.250 0.000 . . . . . . A 58 ARG H . 34347 1 484 . 1 1 58 58 ARG CA C 13 54.919 0.000 . . . . . . A 58 ARG CA . 34347 1 485 . 1 1 58 58 ARG N N 15 116.902 0.000 . . . . . . A 58 ARG N . 34347 1 486 . 1 1 59 59 ILE H H 1 9.191 0.047 . . . . . . A 59 ILE H . 34347 1 487 . 1 1 59 59 ILE HA H 1 4.646 0.000 . . . . . . A 59 ILE HA . 34347 1 488 . 1 1 59 59 ILE CA C 13 58.413 0.062 . . . . . . A 59 ILE CA . 34347 1 489 . 1 1 59 59 ILE N N 15 123.606 0.069 . . . . . . A 59 ILE N . 34347 1 490 . 1 1 60 60 LEU H H 1 8.878 0.034 . . . . . . A 60 LEU H . 34347 1 491 . 1 1 60 60 LEU HA H 1 4.523 0.048 . . . . . . A 60 LEU HA . 34347 1 492 . 1 1 60 60 LEU HB2 H 1 2.118 0.000 . . . . . . A 60 LEU HB2 . 34347 1 493 . 1 1 60 60 LEU HB3 H 1 2.118 0.000 . . . . . . A 60 LEU HB3 . 34347 1 494 . 1 1 60 60 LEU HG H 1 1.345 0.000 . . . . . . A 60 LEU HG . 34347 1 495 . 1 1 60 60 LEU HD11 H 1 0.811 0.000 . . . . . . A 60 LEU HD11 . 34347 1 496 . 1 1 60 60 LEU HD12 H 1 0.811 0.000 . . . . . . A 60 LEU HD12 . 34347 1 497 . 1 1 60 60 LEU HD13 H 1 0.811 0.000 . . . . . . A 60 LEU HD13 . 34347 1 498 . 1 1 60 60 LEU C C 13 176.023 0.000 . . . . . . A 60 LEU C . 34347 1 499 . 1 1 60 60 LEU CA C 13 52.715 0.375 . . . . . . A 60 LEU CA . 34347 1 500 . 1 1 60 60 LEU CB C 13 40.256 0.121 . . . . . . A 60 LEU CB . 34347 1 501 . 1 1 60 60 LEU CG C 13 25.700 0.000 . . . . . . A 60 LEU CG . 34347 1 502 . 1 1 60 60 LEU CD1 C 13 24.749 0.000 . . . . . . A 60 LEU CD1 . 34347 1 503 . 1 1 60 60 LEU N N 15 123.616 0.023 . . . . . . A 60 LEU N . 34347 1 504 . 1 1 61 61 ASN H H 1 8.463 0.030 . . . . . . A 61 ASN H . 34347 1 505 . 1 1 61 61 ASN HA H 1 4.768 0.000 . . . . . . A 61 ASN HA . 34347 1 506 . 1 1 61 61 ASN HB2 H 1 3.019 0.000 . . . . . . A 61 ASN HB2 . 34347 1 507 . 1 1 61 61 ASN HB3 H 1 2.412 0.000 . . . . . . A 61 ASN HB3 . 34347 1 508 . 1 1 61 61 ASN C C 13 176.271 0.227 . . . . . . A 61 ASN C . 34347 1 509 . 1 1 61 61 ASN CA C 13 57.456 0.261 . . . . . . A 61 ASN CA . 34347 1 510 . 1 1 61 61 ASN CB C 13 37.793 0.000 . . . . . . A 61 ASN CB . 34347 1 511 . 1 1 61 61 ASN N N 15 122.086 0.031 . . . . . . A 61 ASN N . 34347 1 512 . 1 1 62 62 ASN H H 1 7.929 0.037 . . . . . . A 62 ASN H . 34347 1 513 . 1 1 62 62 ASN HA H 1 4.990 0.071 . . . . . . A 62 ASN HA . 34347 1 514 . 1 1 62 62 ASN HB2 H 1 3.281 0.059 . . . . . . A 62 ASN HB2 . 34347 1 515 . 1 1 62 62 ASN HB3 H 1 3.283 0.061 . . . . . . A 62 ASN HB3 . 34347 1 516 . 1 1 62 62 ASN C C 13 176.688 0.214 . . . . . . A 62 ASN C . 34347 1 517 . 1 1 62 62 ASN CA C 13 50.991 0.274 . . . . . . A 62 ASN CA . 34347 1 518 . 1 1 62 62 ASN CB C 13 38.093 0.186 . . . . . . A 62 ASN CB . 34347 1 519 . 1 1 62 62 ASN N N 15 122.748 0.175 . . . . . . A 62 ASN N . 34347 1 520 . 1 1 63 63 GLY H H 1 9.659 0.041 . . . . . . A 63 GLY H . 34347 1 521 . 1 1 63 63 GLY HA2 H 1 3.369 0.000 . . . . . . A 63 GLY HA2 . 34347 1 522 . 1 1 63 63 GLY HA3 H 1 3.833 0.074 . . . . . . A 63 GLY HA3 . 34347 1 523 . 1 1 63 63 GLY C C 13 172.587 0.000 . . . . . . A 63 GLY C . 34347 1 524 . 1 1 63 63 GLY CA C 13 44.587 0.255 . . . . . . A 63 GLY CA . 34347 1 525 . 1 1 63 63 GLY N N 15 108.552 0.447 . . . . . . A 63 GLY N . 34347 1 526 . 1 1 64 64 HIS H H 1 8.336 0.059 . . . . . . A 64 HIS H . 34347 1 527 . 1 1 64 64 HIS HA H 1 5.117 0.000 . . . . . . A 64 HIS HA . 34347 1 528 . 1 1 64 64 HIS HB2 H 1 3.680 0.000 . . . . . . A 64 HIS HB2 . 34347 1 529 . 1 1 64 64 HIS HB3 H 1 3.680 0.000 . . . . . . A 64 HIS HB3 . 34347 1 530 . 1 1 64 64 HIS CA C 13 57.958 0.282 . . . . . . A 64 HIS CA . 34347 1 531 . 1 1 64 64 HIS CB C 13 30.706 0.249 . . . . . . A 64 HIS CB . 34347 1 532 . 1 1 64 64 HIS N N 15 116.291 0.258 . . . . . . A 64 HIS N . 34347 1 533 . 1 1 65 65 ALA H H 1 8.639 0.045 . . . . . . A 65 ALA H . 34347 1 534 . 1 1 65 65 ALA HA H 1 4.442 0.302 . . . . . . A 65 ALA HA . 34347 1 535 . 1 1 65 65 ALA HB1 H 1 1.492 0.000 . . . . . . A 65 ALA HB1 . 34347 1 536 . 1 1 65 65 ALA HB2 H 1 1.492 0.000 . . . . . . A 65 ALA HB2 . 34347 1 537 . 1 1 65 65 ALA HB3 H 1 1.492 0.000 . . . . . . A 65 ALA HB3 . 34347 1 538 . 1 1 65 65 ALA C C 13 175.939 0.000 . . . . . . A 65 ALA C . 34347 1 539 . 1 1 65 65 ALA CA C 13 49.573 1.405 . . . . . . A 65 ALA CA . 34347 1 540 . 1 1 65 65 ALA CB C 13 19.129 0.034 . . . . . . A 65 ALA CB . 34347 1 541 . 1 1 65 65 ALA N N 15 123.494 0.125 . . . . . . A 65 ALA N . 34347 1 542 . 1 1 66 66 PHE H H 1 7.250 0.000 . . . . . . A 66 PHE H . 34347 1 543 . 1 1 66 66 PHE HA H 1 4.841 0.000 . . . . . . A 66 PHE HA . 34347 1 544 . 1 1 66 66 PHE HB2 H 1 2.504 0.000 . . . . . . A 66 PHE HB2 . 34347 1 545 . 1 1 66 66 PHE HB3 H 1 2.504 0.000 . . . . . . A 66 PHE HB3 . 34347 1 546 . 1 1 66 66 PHE C C 13 173.902 0.000 . . . . . . A 66 PHE C . 34347 1 547 . 1 1 66 66 PHE CA C 13 54.700 0.002 . . . . . . A 66 PHE CA . 34347 1 548 . 1 1 66 66 PHE CB C 13 41.400 0.000 . . . . . . A 66 PHE CB . 34347 1 549 . 1 1 66 66 PHE N N 15 111.920 0.000 . . . . . . A 66 PHE N . 34347 1 550 . 1 1 67 67 ASN H H 1 9.085 0.051 . . . . . . A 67 ASN H . 34347 1 551 . 1 1 67 67 ASN HA H 1 4.749 0.019 . . . . . . A 67 ASN HA . 34347 1 552 . 1 1 67 67 ASN HB2 H 1 2.670 0.000 . . . . . . A 67 ASN HB2 . 34347 1 553 . 1 1 67 67 ASN HB3 H 1 2.670 0.000 . . . . . . A 67 ASN HB3 . 34347 1 554 . 1 1 67 67 ASN C C 13 174.873 0.073 . . . . . . A 67 ASN C . 34347 1 555 . 1 1 67 67 ASN CA C 13 49.969 0.256 . . . . . . A 67 ASN CA . 34347 1 556 . 1 1 67 67 ASN CB C 13 40.080 0.000 . . . . . . A 67 ASN CB . 34347 1 557 . 1 1 67 67 ASN N N 15 120.557 0.682 . . . . . . A 67 ASN N . 34347 1 558 . 1 1 68 68 VAL H H 1 8.821 0.069 . . . . . . A 68 VAL H . 34347 1 559 . 1 1 68 68 VAL HA H 1 4.592 0.220 . . . . . . A 68 VAL HA . 34347 1 560 . 1 1 68 68 VAL HB H 1 1.933 0.031 . . . . . . A 68 VAL HB . 34347 1 561 . 1 1 68 68 VAL HG21 H 1 0.646 0.000 . . . . . . A 68 VAL HG21 . 34347 1 562 . 1 1 68 68 VAL HG22 H 1 0.646 0.000 . . . . . . A 68 VAL HG22 . 34347 1 563 . 1 1 68 68 VAL HG23 H 1 0.646 0.000 . . . . . . A 68 VAL HG23 . 34347 1 564 . 1 1 68 68 VAL C C 13 175.000 0.000 . . . . . . A 68 VAL C . 34347 1 565 . 1 1 68 68 VAL CA C 13 60.747 0.664 . . . . . . A 68 VAL CA . 34347 1 566 . 1 1 68 68 VAL CB C 13 32.716 0.096 . . . . . . A 68 VAL CB . 34347 1 567 . 1 1 68 68 VAL CG1 C 13 20.977 0.163 . . . . . . A 68 VAL CG1 . 34347 1 568 . 1 1 68 68 VAL CG2 C 13 21.327 0.212 . . . . . . A 68 VAL CG2 . 34347 1 569 . 1 1 68 68 VAL N N 15 122.053 0.286 . . . . . . A 68 VAL N . 34347 1 570 . 1 1 69 69 GLU H H 1 8.590 0.089 . . . . . . A 69 GLU H . 34347 1 571 . 1 1 69 69 GLU HA H 1 4.512 0.003 . . . . . . A 69 GLU HA . 34347 1 572 . 1 1 69 69 GLU HB2 H 1 2.063 0.000 . . . . . . A 69 GLU HB2 . 34347 1 573 . 1 1 69 69 GLU HB3 H 1 1.787 0.000 . . . . . . A 69 GLU HB3 . 34347 1 574 . 1 1 69 69 GLU C C 13 176.608 0.224 . . . . . . A 69 GLU C . 34347 1 575 . 1 1 69 69 GLU CA C 13 54.935 0.127 . . . . . . A 69 GLU CA . 34347 1 576 . 1 1 69 69 GLU CB C 13 31.791 0.027 . . . . . . A 69 GLU CB . 34347 1 577 . 1 1 69 69 GLU CG C 13 36.600 0.000 . . . . . . A 69 GLU CG . 34347 1 578 . 1 1 69 69 GLU N N 15 122.714 0.194 . . . . . . A 69 GLU N . 34347 1 579 . 1 1 70 70 PHE H H 1 8.522 0.032 . . . . . . A 70 PHE H . 34347 1 580 . 1 1 70 70 PHE HA H 1 4.841 0.000 . . . . . . A 70 PHE HA . 34347 1 581 . 1 1 70 70 PHE HB2 H 1 3.085 0.035 . . . . . . A 70 PHE HB2 . 34347 1 582 . 1 1 70 70 PHE HB3 H 1 2.898 0.000 . . . . . . A 70 PHE HB3 . 34347 1 583 . 1 1 70 70 PHE C C 13 174.371 0.000 . . . . . . A 70 PHE C . 34347 1 584 . 1 1 70 70 PHE CA C 13 56.287 0.054 . . . . . . A 70 PHE CA . 34347 1 585 . 1 1 70 70 PHE CB C 13 41.319 0.115 . . . . . . A 70 PHE CB . 34347 1 586 . 1 1 70 70 PHE N N 15 118.013 0.060 . . . . . . A 70 PHE N . 34347 1 587 . 1 1 71 71 ASP H H 1 8.449 0.000 . . . . . . A 71 ASP H . 34347 1 588 . 1 1 71 71 ASP CA C 13 56.048 0.000 . . . . . . A 71 ASP CA . 34347 1 589 . 1 1 71 71 ASP N N 15 117.674 0.000 . . . . . . A 71 ASP N . 34347 1 590 . 1 1 72 72 ASP H H 1 9.014 0.000 . . . . . . A 72 ASP H . 34347 1 591 . 1 1 72 72 ASP CA C 13 52.716 0.000 . . . . . . A 72 ASP CA . 34347 1 592 . 1 1 72 72 ASP N N 15 133.781 0.000 . . . . . . A 72 ASP N . 34347 1 593 . 1 1 73 73 SER H H 1 8.829 0.038 . . . . . . A 73 SER H . 34347 1 594 . 1 1 73 73 SER HA H 1 4.160 0.000 . . . . . . A 73 SER HA . 34347 1 595 . 1 1 73 73 SER HB2 H 1 4.032 0.000 . . . . . . A 73 SER HB2 . 34347 1 596 . 1 1 73 73 SER HB3 H 1 4.105 0.000 . . . . . . A 73 SER HB3 . 34347 1 597 . 1 1 73 73 SER C C 13 172.634 0.000 . . . . . . A 73 SER C . 34347 1 598 . 1 1 73 73 SER CA C 13 59.975 0.584 . . . . . . A 73 SER CA . 34347 1 599 . 1 1 73 73 SER CB C 13 63.365 0.069 . . . . . . A 73 SER CB . 34347 1 600 . 1 1 73 73 SER N N 15 116.186 0.199 . . . . . . A 73 SER N . 34347 1 601 . 1 1 74 74 GLN H H 1 7.658 0.026 . . . . . . A 74 GLN H . 34347 1 602 . 1 1 74 74 GLN HA H 1 4.621 0.073 . . . . . . A 74 GLN HA . 34347 1 603 . 1 1 74 74 GLN HB2 H 1 2.228 0.000 . . . . . . A 74 GLN HB2 . 34347 1 604 . 1 1 74 74 GLN HB3 H 1 2.228 0.000 . . . . . . A 74 GLN HB3 . 34347 1 605 . 1 1 74 74 GLN HG2 H 1 2.228 0.000 . . . . . . A 74 GLN HG2 . 34347 1 606 . 1 1 74 74 GLN HG3 H 1 2.228 0.000 . . . . . . A 74 GLN HG3 . 34347 1 607 . 1 1 74 74 GLN C C 13 173.670 0.046 . . . . . . A 74 GLN C . 34347 1 608 . 1 1 74 74 GLN CA C 13 52.876 0.550 . . . . . . A 74 GLN CA . 34347 1 609 . 1 1 74 74 GLN CB C 13 32.640 0.565 . . . . . . A 74 GLN CB . 34347 1 610 . 1 1 74 74 GLN N N 15 117.610 0.246 . . . . . . A 74 GLN N . 34347 1 611 . 1 1 75 75 ASP H H 1 8.082 0.054 . . . . . . A 75 ASP H . 34347 1 612 . 1 1 75 75 ASP HA H 1 4.651 0.373 . . . . . . A 75 ASP HA . 34347 1 613 . 1 1 75 75 ASP HB2 H 1 3.774 0.000 . . . . . . A 75 ASP HB2 . 34347 1 614 . 1 1 75 75 ASP HB3 H 1 3.774 0.000 . . . . . . A 75 ASP HB3 . 34347 1 615 . 1 1 75 75 ASP C C 13 176.699 0.077 . . . . . . A 75 ASP C . 34347 1 616 . 1 1 75 75 ASP CA C 13 52.798 0.050 . . . . . . A 75 ASP CA . 34347 1 617 . 1 1 75 75 ASP CB C 13 38.014 0.000 . . . . . . A 75 ASP CB . 34347 1 618 . 1 1 75 75 ASP N N 15 120.436 0.242 . . . . . . A 75 ASP N . 34347 1 619 . 1 1 76 76 LYS H H 1 7.756 0.052 . . . . . . A 76 LYS H . 34347 1 620 . 1 1 76 76 LYS HA H 1 3.489 0.000 . . . . . . A 76 LYS HA . 34347 1 621 . 1 1 76 76 LYS HB2 H 1 1.768 0.000 . . . . . . A 76 LYS HB2 . 34347 1 622 . 1 1 76 76 LYS HB3 H 1 1.768 0.000 . . . . . . A 76 LYS HB3 . 34347 1 623 . 1 1 76 76 LYS HG2 H 1 0.664 0.000 . . . . . . A 76 LYS HG2 . 34347 1 624 . 1 1 76 76 LYS HG3 H 1 0.664 0.000 . . . . . . A 76 LYS HG3 . 34347 1 625 . 1 1 76 76 LYS HD2 H 1 1.320 0.014 . . . . . . A 76 LYS HD2 . 34347 1 626 . 1 1 76 76 LYS HD3 H 1 1.327 0.000 . . . . . . A 76 LYS HD3 . 34347 1 627 . 1 1 76 76 LYS HE2 H 1 2.541 0.000 . . . . . . A 76 LYS HE2 . 34347 1 628 . 1 1 76 76 LYS HE3 H 1 2.541 0.000 . . . . . . A 76 LYS HE3 . 34347 1 629 . 1 1 76 76 LYS C C 13 170.603 0.000 . . . . . . A 76 LYS C . 34347 1 630 . 1 1 76 76 LYS CA C 13 56.869 0.209 . . . . . . A 76 LYS CA . 34347 1 631 . 1 1 76 76 LYS CB C 13 32.842 0.157 . . . . . . A 76 LYS CB . 34347 1 632 . 1 1 76 76 LYS CG C 13 25.260 0.101 . . . . . . A 76 LYS CG . 34347 1 633 . 1 1 76 76 LYS CD C 13 28.444 0.207 . . . . . . A 76 LYS CD . 34347 1 634 . 1 1 76 76 LYS CE C 13 41.517 0.216 . . . . . . A 76 LYS CE . 34347 1 635 . 1 1 76 76 LYS N N 15 124.065 0.002 . . . . . . A 76 LYS N . 34347 1 636 . 1 1 77 77 ALA H H 1 8.599 0.006 . . . . . . A 77 ALA H . 34347 1 637 . 1 1 77 77 ALA HA H 1 5.050 0.017 . . . . . . A 77 ALA HA . 34347 1 638 . 1 1 77 77 ALA HB1 H 1 1.179 0.000 . . . . . . A 77 ALA HB1 . 34347 1 639 . 1 1 77 77 ALA HB2 H 1 1.179 0.000 . . . . . . A 77 ALA HB2 . 34347 1 640 . 1 1 77 77 ALA HB3 H 1 1.179 0.000 . . . . . . A 77 ALA HB3 . 34347 1 641 . 1 1 77 77 ALA C C 13 174.800 0.000 . . . . . . A 77 ALA C . 34347 1 642 . 1 1 77 77 ALA CA C 13 48.766 0.119 . . . . . . A 77 ALA CA . 34347 1 643 . 1 1 77 77 ALA CB C 13 18.904 0.000 . . . . . . A 77 ALA CB . 34347 1 644 . 1 1 77 77 ALA N N 15 123.311 0.039 . . . . . . A 77 ALA N . 34347 1 645 . 1 1 78 78 VAL H H 1 8.775 0.045 . . . . . . A 78 VAL H . 34347 1 646 . 1 1 78 78 VAL HA H 1 4.756 0.013 . . . . . . A 78 VAL HA . 34347 1 647 . 1 1 78 78 VAL HB H 1 1.952 0.000 . . . . . . A 78 VAL HB . 34347 1 648 . 1 1 78 78 VAL HG21 H 1 0.756 0.000 . . . . . . A 78 VAL HG21 . 34347 1 649 . 1 1 78 78 VAL HG22 H 1 0.756 0.000 . . . . . . A 78 VAL HG22 . 34347 1 650 . 1 1 78 78 VAL HG23 H 1 0.756 0.000 . . . . . . A 78 VAL HG23 . 34347 1 651 . 1 1 78 78 VAL C C 13 171.664 0.000 . . . . . . A 78 VAL C . 34347 1 652 . 1 1 78 78 VAL CA C 13 58.060 0.129 . . . . . . A 78 VAL CA . 34347 1 653 . 1 1 78 78 VAL CB C 13 35.914 0.285 . . . . . . A 78 VAL CB . 34347 1 654 . 1 1 78 78 VAL CG1 C 13 20.876 0.225 . . . . . . A 78 VAL CG1 . 34347 1 655 . 1 1 78 78 VAL CG2 C 13 17.744 0.125 . . . . . . A 78 VAL CG2 . 34347 1 656 . 1 1 78 78 VAL N N 15 115.315 0.143 . . . . . . A 78 VAL N . 34347 1 657 . 1 1 79 79 LEU H H 1 9.052 0.034 . . . . . . A 79 LEU H . 34347 1 658 . 1 1 79 79 LEU HA H 1 4.851 0.019 . . . . . . A 79 LEU HA . 34347 1 659 . 1 1 79 79 LEU HB2 H 1 1.915 0.000 . . . . . . A 79 LEU HB2 . 34347 1 660 . 1 1 79 79 LEU HB3 H 1 1.915 0.000 . . . . . . A 79 LEU HB3 . 34347 1 661 . 1 1 79 79 LEU HG H 1 1.290 0.000 . . . . . . A 79 LEU HG . 34347 1 662 . 1 1 79 79 LEU HD11 H 1 0.498 0.000 . . . . . . A 79 LEU HD11 . 34347 1 663 . 1 1 79 79 LEU HD12 H 1 0.498 0.000 . . . . . . A 79 LEU HD12 . 34347 1 664 . 1 1 79 79 LEU HD13 H 1 0.498 0.000 . . . . . . A 79 LEU HD13 . 34347 1 665 . 1 1 79 79 LEU HD21 H 1 0.498 0.000 . . . . . . A 79 LEU HD21 . 34347 1 666 . 1 1 79 79 LEU HD22 H 1 0.498 0.000 . . . . . . A 79 LEU HD22 . 34347 1 667 . 1 1 79 79 LEU HD23 H 1 0.498 0.000 . . . . . . A 79 LEU HD23 . 34347 1 668 . 1 1 79 79 LEU C C 13 174.241 0.024 . . . . . . A 79 LEU C . 34347 1 669 . 1 1 79 79 LEU CA C 13 52.397 0.174 . . . . . . A 79 LEU CA . 34347 1 670 . 1 1 79 79 LEU CB C 13 45.370 0.136 . . . . . . A 79 LEU CB . 34347 1 671 . 1 1 79 79 LEU CD1 C 13 25.102 0.000 . . . . . . A 79 LEU CD1 . 34347 1 672 . 1 1 79 79 LEU CD2 C 13 25.102 0.000 . . . . . . A 79 LEU CD2 . 34347 1 673 . 1 1 79 79 LEU N N 15 124.404 0.233 . . . . . . A 79 LEU N . 34347 1 674 . 1 1 80 80 LYS H H 1 8.522 0.020 . . . . . . A 80 LYS H . 34347 1 675 . 1 1 80 80 LYS HA H 1 4.374 0.067 . . . . . . A 80 LYS HA . 34347 1 676 . 1 1 80 80 LYS HB2 H 1 1.934 0.000 . . . . . . A 80 LYS HB2 . 34347 1 677 . 1 1 80 80 LYS HB3 H 1 1.658 0.000 . . . . . . A 80 LYS HB3 . 34347 1 678 . 1 1 80 80 LYS HG2 H 1 1.234 0.000 . . . . . . A 80 LYS HG2 . 34347 1 679 . 1 1 80 80 LYS HG3 H 1 1.234 0.000 . . . . . . A 80 LYS HG3 . 34347 1 680 . 1 1 80 80 LYS HD2 H 1 1.658 0.000 . . . . . . A 80 LYS HD2 . 34347 1 681 . 1 1 80 80 LYS HD3 H 1 1.658 0.000 . . . . . . A 80 LYS HD3 . 34347 1 682 . 1 1 80 80 LYS HE2 H 1 3.038 0.000 . . . . . . A 80 LYS HE2 . 34347 1 683 . 1 1 80 80 LYS HE3 H 1 3.038 0.000 . . . . . . A 80 LYS HE3 . 34347 1 684 . 1 1 80 80 LYS C C 13 174.583 0.000 . . . . . . A 80 LYS C . 34347 1 685 . 1 1 80 80 LYS CA C 13 53.920 0.226 . . . . . . A 80 LYS CA . 34347 1 686 . 1 1 80 80 LYS CB C 13 36.329 0.079 . . . . . . A 80 LYS CB . 34347 1 687 . 1 1 80 80 LYS CG C 13 23.754 0.155 . . . . . . A 80 LYS CG . 34347 1 688 . 1 1 80 80 LYS CD C 13 28.646 0.217 . . . . . . A 80 LYS CD . 34347 1 689 . 1 1 80 80 LYS CE C 13 43.943 0.157 . . . . . . A 80 LYS CE . 34347 1 690 . 1 1 80 80 LYS N N 15 121.155 0.274 . . . . . . A 80 LYS N . 34347 1 691 . 1 1 81 81 GLY H H 1 8.960 0.031 . . . . . . A 81 GLY H . 34347 1 692 . 1 1 81 81 GLY HA2 H 1 4.639 0.000 . . . . . . A 81 GLY HA2 . 34347 1 693 . 1 1 81 81 GLY HA3 H 1 4.359 0.280 . . . . . . A 81 GLY HA3 . 34347 1 694 . 1 1 81 81 GLY C C 13 173.761 0.000 . . . . . . A 81 GLY C . 34347 1 695 . 1 1 81 81 GLY CA C 13 43.724 0.192 . . . . . . A 81 GLY CA . 34347 1 696 . 1 1 81 81 GLY N N 15 105.933 0.129 . . . . . . A 81 GLY N . 34347 1 697 . 1 1 82 82 GLY H H 1 7.007 0.041 . . . . . . A 82 GLY H . 34347 1 698 . 1 1 82 82 GLY HA2 H 1 3.572 0.000 . . . . . . A 82 GLY HA2 . 34347 1 699 . 1 1 82 82 GLY HA3 H 1 4.110 0.000 . . . . . . A 82 GLY HA3 . 34347 1 700 . 1 1 82 82 GLY C C 13 171.526 0.000 . . . . . . A 82 GLY C . 34347 1 701 . 1 1 82 82 GLY CA C 13 44.014 0.140 . . . . . . A 82 GLY CA . 34347 1 702 . 1 1 82 82 GLY N N 15 108.280 0.274 . . . . . . A 82 GLY N . 34347 1 703 . 1 1 83 83 PRO C C 13 174.827 0.000 . . . . . . A 83 PRO C . 34347 1 704 . 1 1 83 83 PRO CA C 13 62.181 0.097 . . . . . . A 83 PRO CA . 34347 1 705 . 1 1 83 83 PRO CB C 13 31.700 0.000 . . . . . . A 83 PRO CB . 34347 1 706 . 1 1 83 83 PRO CG C 13 24.800 0.000 . . . . . . A 83 PRO CG . 34347 1 707 . 1 1 83 83 PRO CD C 13 48.800 0.000 . . . . . . A 83 PRO CD . 34347 1 708 . 1 1 84 84 LEU H H 1 7.776 0.026 . . . . . . A 84 LEU H . 34347 1 709 . 1 1 84 84 LEU HA H 1 4.171 0.021 . . . . . . A 84 LEU HA . 34347 1 710 . 1 1 84 84 LEU HB2 H 1 1.989 0.000 . . . . . . A 84 LEU HB2 . 34347 1 711 . 1 1 84 84 LEU HB3 H 1 1.989 0.000 . . . . . . A 84 LEU HB3 . 34347 1 712 . 1 1 84 84 LEU HG H 1 1.161 0.000 . . . . . . A 84 LEU HG . 34347 1 713 . 1 1 84 84 LEU HD21 H 1 -0.035 0.000 . . . . . . A 84 LEU HD21 . 34347 1 714 . 1 1 84 84 LEU HD22 H 1 -0.035 0.000 . . . . . . A 84 LEU HD22 . 34347 1 715 . 1 1 84 84 LEU HD23 H 1 -0.035 0.000 . . . . . . A 84 LEU HD23 . 34347 1 716 . 1 1 84 84 LEU C C 13 176.379 0.000 . . . . . . A 84 LEU C . 34347 1 717 . 1 1 84 84 LEU CA C 13 54.067 0.218 . . . . . . A 84 LEU CA . 34347 1 718 . 1 1 84 84 LEU CB C 13 40.244 0.130 . . . . . . A 84 LEU CB . 34347 1 719 . 1 1 84 84 LEU CG C 13 25.953 0.149 . . . . . . A 84 LEU CG . 34347 1 720 . 1 1 84 84 LEU CD1 C 13 22.574 0.078 . . . . . . A 84 LEU CD1 . 34347 1 721 . 1 1 84 84 LEU CD2 C 13 19.610 0.276 . . . . . . A 84 LEU CD2 . 34347 1 722 . 1 1 84 84 LEU N N 15 120.000 0.140 . . . . . . A 84 LEU N . 34347 1 723 . 1 1 85 85 ASP H H 1 8.983 0.051 . . . . . . A 85 ASP H . 34347 1 724 . 1 1 85 85 ASP HA H 1 5.085 0.124 . . . . . . A 85 ASP HA . 34347 1 725 . 1 1 85 85 ASP HB2 H 1 2.762 0.000 . . . . . . A 85 ASP HB2 . 34347 1 726 . 1 1 85 85 ASP HB3 H 1 2.762 0.000 . . . . . . A 85 ASP HB3 . 34347 1 727 . 1 1 85 85 ASP C C 13 175.377 0.000 . . . . . . A 85 ASP C . 34347 1 728 . 1 1 85 85 ASP CA C 13 52.478 0.199 . . . . . . A 85 ASP CA . 34347 1 729 . 1 1 85 85 ASP CB C 13 41.295 0.008 . . . . . . A 85 ASP CB . 34347 1 730 . 1 1 85 85 ASP N N 15 123.725 0.046 . . . . . . A 85 ASP N . 34347 1 731 . 1 1 86 86 GLY H H 1 8.000 0.053 . . . . . . A 86 GLY H . 34347 1 732 . 1 1 86 86 GLY HA2 H 1 3.790 0.000 . . . . . . A 86 GLY HA2 . 34347 1 733 . 1 1 86 86 GLY HA3 H 1 4.053 0.057 . . . . . . A 86 GLY HA3 . 34347 1 734 . 1 1 86 86 GLY C C 13 172.807 0.006 . . . . . . A 86 GLY C . 34347 1 735 . 1 1 86 86 GLY CA C 13 44.030 0.166 . . . . . . A 86 GLY CA . 34347 1 736 . 1 1 86 86 GLY N N 15 108.945 0.151 . . . . . . A 86 GLY N . 34347 1 737 . 1 1 87 87 THR H H 1 8.490 0.038 . . . . . . A 87 THR H . 34347 1 738 . 1 1 87 87 THR HA H 1 4.328 0.001 . . . . . . A 87 THR HA . 34347 1 739 . 1 1 87 87 THR HB H 1 3.791 0.002 . . . . . . A 87 THR HB . 34347 1 740 . 1 1 87 87 THR HG21 H 1 0.912 0.019 . . . . . . A 87 THR HG21 . 34347 1 741 . 1 1 87 87 THR HG22 H 1 0.912 0.019 . . . . . . A 87 THR HG22 . 34347 1 742 . 1 1 87 87 THR HG23 H 1 0.912 0.019 . . . . . . A 87 THR HG23 . 34347 1 743 . 1 1 87 87 THR C C 13 172.646 0.037 . . . . . . A 87 THR C . 34347 1 744 . 1 1 87 87 THR CA C 13 62.440 0.120 . . . . . . A 87 THR CA . 34347 1 745 . 1 1 87 87 THR CB C 13 69.788 0.107 . . . . . . A 87 THR CB . 34347 1 746 . 1 1 87 87 THR CG2 C 13 21.042 0.163 . . . . . . A 87 THR CG2 . 34347 1 747 . 1 1 87 87 THR N N 15 116.356 0.159 . . . . . . A 87 THR N . 34347 1 748 . 1 1 88 88 TYR H H 1 8.493 0.019 . . . . . . A 88 TYR H . 34347 1 749 . 1 1 88 88 TYR HA H 1 4.457 0.003 . . . . . . A 88 TYR HA . 34347 1 750 . 1 1 88 88 TYR HB2 H 1 2.909 0.000 . . . . . . A 88 TYR HB2 . 34347 1 751 . 1 1 88 88 TYR HB3 H 1 2.486 0.000 . . . . . . A 88 TYR HB3 . 34347 1 752 . 1 1 88 88 TYR C C 13 174.685 0.000 . . . . . . A 88 TYR C . 34347 1 753 . 1 1 88 88 TYR CA C 13 54.773 0.181 . . . . . . A 88 TYR CA . 34347 1 754 . 1 1 88 88 TYR CB C 13 38.900 0.000 . . . . . . A 88 TYR CB . 34347 1 755 . 1 1 88 88 TYR N N 15 125.836 0.102 . . . . . . A 88 TYR N . 34347 1 756 . 1 1 89 89 ARG H H 1 8.461 0.024 . . . . . . A 89 ARG H . 34347 1 757 . 1 1 89 89 ARG HA H 1 4.773 0.018 . . . . . . A 89 ARG HA . 34347 1 758 . 1 1 89 89 ARG HB2 H 1 1.437 0.000 . . . . . . A 89 ARG HB2 . 34347 1 759 . 1 1 89 89 ARG HB3 H 1 1.437 0.000 . . . . . . A 89 ARG HB3 . 34347 1 760 . 1 1 89 89 ARG HG2 H 1 1.106 0.000 . . . . . . A 89 ARG HG2 . 34347 1 761 . 1 1 89 89 ARG HG3 H 1 1.106 0.000 . . . . . . A 89 ARG HG3 . 34347 1 762 . 1 1 89 89 ARG HD2 H 1 2.707 0.000 . . . . . . A 89 ARG HD2 . 34347 1 763 . 1 1 89 89 ARG HD3 H 1 3.259 0.000 . . . . . . A 89 ARG HD3 . 34347 1 764 . 1 1 89 89 ARG C C 13 176.168 0.268 . . . . . . A 89 ARG C . 34347 1 765 . 1 1 89 89 ARG CA C 13 57.677 0.315 . . . . . . A 89 ARG CA . 34347 1 766 . 1 1 89 89 ARG CB C 13 30.468 0.000 . . . . . . A 89 ARG CB . 34347 1 767 . 1 1 89 89 ARG CG C 13 26.300 0.000 . . . . . . A 89 ARG CG . 34347 1 768 . 1 1 89 89 ARG CD C 13 44.200 0.000 . . . . . . A 89 ARG CD . 34347 1 769 . 1 1 89 89 ARG CZ C 13 159.000 0.000 . . . . . . A 89 ARG CZ . 34347 1 770 . 1 1 89 89 ARG N N 15 121.803 0.129 . . . . . . A 89 ARG N . 34347 1 771 . 1 1 90 90 LEU H H 1 8.633 0.044 . . . . . . A 90 LEU H . 34347 1 772 . 1 1 90 90 LEU HA H 1 4.283 0.420 . . . . . . A 90 LEU HA . 34347 1 773 . 1 1 90 90 LEU HB2 H 1 1.492 0.000 . . . . . . A 90 LEU HB2 . 34347 1 774 . 1 1 90 90 LEU HB3 H 1 1.492 0.000 . . . . . . A 90 LEU HB3 . 34347 1 775 . 1 1 90 90 LEU HG H 1 0.958 0.000 . . . . . . A 90 LEU HG . 34347 1 776 . 1 1 90 90 LEU HD11 H 1 0.453 0.000 . . . . . . A 90 LEU HD11 . 34347 1 777 . 1 1 90 90 LEU HD12 H 1 0.453 0.000 . . . . . . A 90 LEU HD12 . 34347 1 778 . 1 1 90 90 LEU HD13 H 1 0.453 0.000 . . . . . . A 90 LEU HD13 . 34347 1 779 . 1 1 90 90 LEU HD21 H 1 0.453 0.000 . . . . . . A 90 LEU HD21 . 34347 1 780 . 1 1 90 90 LEU HD22 H 1 0.453 0.000 . . . . . . A 90 LEU HD22 . 34347 1 781 . 1 1 90 90 LEU HD23 H 1 0.453 0.000 . . . . . . A 90 LEU HD23 . 34347 1 782 . 1 1 90 90 LEU C C 13 174.949 0.000 . . . . . . A 90 LEU C . 34347 1 783 . 1 1 90 90 LEU CA C 13 48.997 0.344 . . . . . . A 90 LEU CA . 34347 1 784 . 1 1 90 90 LEU CB C 13 38.826 0.000 . . . . . . A 90 LEU CB . 34347 1 785 . 1 1 90 90 LEU CG C 13 26.834 0.116 . . . . . . A 90 LEU CG . 34347 1 786 . 1 1 90 90 LEU N N 15 123.595 0.034 . . . . . . A 90 LEU N . 34347 1 787 . 1 1 91 91 ILE H H 1 8.758 0.019 . . . . . . A 91 ILE H . 34347 1 788 . 1 1 91 91 ILE HA H 1 4.473 0.149 . . . . . . A 91 ILE HA . 34347 1 789 . 1 1 91 91 ILE HB H 1 1.842 0.000 . . . . . . A 91 ILE HB . 34347 1 790 . 1 1 91 91 ILE HG12 H 1 1.382 0.000 . . . . . . A 91 ILE HG12 . 34347 1 791 . 1 1 91 91 ILE HG13 H 1 1.382 0.000 . . . . . . A 91 ILE HG13 . 34347 1 792 . 1 1 91 91 ILE HG21 H 1 0.958 0.000 . . . . . . A 91 ILE HG21 . 34347 1 793 . 1 1 91 91 ILE HG22 H 1 0.958 0.000 . . . . . . A 91 ILE HG22 . 34347 1 794 . 1 1 91 91 ILE HG23 H 1 0.958 0.000 . . . . . . A 91 ILE HG23 . 34347 1 795 . 1 1 91 91 ILE HD11 H 1 0.351 0.000 . . . . . . A 91 ILE HD11 . 34347 1 796 . 1 1 91 91 ILE HD12 H 1 0.351 0.000 . . . . . . A 91 ILE HD12 . 34347 1 797 . 1 1 91 91 ILE HD13 H 1 0.351 0.000 . . . . . . A 91 ILE HD13 . 34347 1 798 . 1 1 91 91 ILE C C 13 173.019 0.019 . . . . . . A 91 ILE C . 34347 1 799 . 1 1 91 91 ILE CA C 13 53.204 0.198 . . . . . . A 91 ILE CA . 34347 1 800 . 1 1 91 91 ILE CB C 13 31.171 0.111 . . . . . . A 91 ILE CB . 34347 1 801 . 1 1 91 91 ILE CG1 C 13 28.373 0.086 . . . . . . A 91 ILE CG1 . 34347 1 802 . 1 1 91 91 ILE CD1 C 13 12.900 0.000 . . . . . . A 91 ILE CD1 . 34347 1 803 . 1 1 91 91 ILE N N 15 123.102 0.063 . . . . . . A 91 ILE N . 34347 1 804 . 1 1 92 92 GLN H H 1 7.138 0.006 . . . . . . A 92 GLN H . 34347 1 805 . 1 1 92 92 GLN HA H 1 5.264 0.037 . . . . . . A 92 GLN HA . 34347 1 806 . 1 1 92 92 GLN HB2 H 1 2.007 0.000 . . . . . . A 92 GLN HB2 . 34347 1 807 . 1 1 92 92 GLN HB3 H 1 2.007 0.000 . . . . . . A 92 GLN HB3 . 34347 1 808 . 1 1 92 92 GLN HG2 H 1 2.265 0.000 . . . . . . A 92 GLN HG2 . 34347 1 809 . 1 1 92 92 GLN HG3 H 1 2.265 0.000 . . . . . . A 92 GLN HG3 . 34347 1 810 . 1 1 92 92 GLN C C 13 177.868 0.000 . . . . . . A 92 GLN C . 34347 1 811 . 1 1 92 92 GLN CA C 13 54.909 0.444 . . . . . . A 92 GLN CA . 34347 1 812 . 1 1 92 92 GLN CB C 13 30.414 0.000 . . . . . . A 92 GLN CB . 34347 1 813 . 1 1 92 92 GLN CG C 13 30.200 0.000 . . . . . . A 92 GLN CG . 34347 1 814 . 1 1 92 92 GLN N N 15 114.262 0.243 . . . . . . A 92 GLN N . 34347 1 815 . 1 1 93 93 PHE H H 1 8.643 0.019 . . . . . . A 93 PHE H . 34347 1 816 . 1 1 93 93 PHE HA H 1 4.676 0.000 . . . . . . A 93 PHE HA . 34347 1 817 . 1 1 93 93 PHE HB2 H 1 2.357 0.000 . . . . . . A 93 PHE HB2 . 34347 1 818 . 1 1 93 93 PHE HB3 H 1 1.971 0.000 . . . . . . A 93 PHE HB3 . 34347 1 819 . 1 1 93 93 PHE C C 13 174.693 0.000 . . . . . . A 93 PHE C . 34347 1 820 . 1 1 93 93 PHE CA C 13 55.520 0.097 . . . . . . A 93 PHE CA . 34347 1 821 . 1 1 93 93 PHE CB C 13 44.000 0.000 . . . . . . A 93 PHE CB . 34347 1 822 . 1 1 93 93 PHE N N 15 113.035 0.267 . . . . . . A 93 PHE N . 34347 1 823 . 1 1 94 94 HIS H H 1 8.223 0.036 . . . . . . A 94 HIS H . 34347 1 824 . 1 1 94 94 HIS HA H 1 4.787 0.152 . . . . . . A 94 HIS HA . 34347 1 825 . 1 1 94 94 HIS HB2 H 1 3.314 0.000 . . . . . . A 94 HIS HB2 . 34347 1 826 . 1 1 94 94 HIS HB3 H 1 3.314 0.000 . . . . . . A 94 HIS HB3 . 34347 1 827 . 1 1 94 94 HIS CA C 13 50.796 0.230 . . . . . . A 94 HIS CA . 34347 1 828 . 1 1 94 94 HIS CB C 13 30.872 0.000 . . . . . . A 94 HIS CB . 34347 1 829 . 1 1 94 94 HIS N N 15 111.928 0.110 . . . . . . A 94 HIS N . 34347 1 830 . 1 1 95 95 PHE H H 1 9.115 0.027 . . . . . . A 95 PHE H . 34347 1 831 . 1 1 95 95 PHE HA H 1 5.015 0.272 . . . . . . A 95 PHE HA . 34347 1 832 . 1 1 95 95 PHE HB2 H 1 3.829 0.000 . . . . . . A 95 PHE HB2 . 34347 1 833 . 1 1 95 95 PHE HB3 H 1 2.909 0.000 . . . . . . A 95 PHE HB3 . 34347 1 834 . 1 1 95 95 PHE C C 13 174.178 0.000 . . . . . . A 95 PHE C . 34347 1 835 . 1 1 95 95 PHE CA C 13 56.187 0.196 . . . . . . A 95 PHE CA . 34347 1 836 . 1 1 95 95 PHE CB C 13 43.253 0.000 . . . . . . A 95 PHE CB . 34347 1 837 . 1 1 95 95 PHE N N 15 117.201 0.174 . . . . . . A 95 PHE N . 34347 1 838 . 1 1 96 96 HIS H H 1 8.736 0.023 . . . . . . A 96 HIS H . 34347 1 839 . 1 1 96 96 HIS HA H 1 4.075 0.233 . . . . . . A 96 HIS HA . 34347 1 840 . 1 1 96 96 HIS HB2 H 1 2.946 0.000 . . . . . . A 96 HIS HB2 . 34347 1 841 . 1 1 96 96 HIS HB3 H 1 2.946 0.000 . . . . . . A 96 HIS HB3 . 34347 1 842 . 1 1 96 96 HIS CA C 13 53.635 0.158 . . . . . . A 96 HIS CA . 34347 1 843 . 1 1 96 96 HIS CB C 13 30.700 0.000 . . . . . . A 96 HIS CB . 34347 1 844 . 1 1 96 96 HIS N N 15 115.069 0.016 . . . . . . A 96 HIS N . 34347 1 845 . 1 1 97 97 TRP H H 1 9.633 0.026 . . . . . . A 97 TRP H . 34347 1 846 . 1 1 97 97 TRP HA H 1 5.173 0.000 . . . . . . A 97 TRP HA . 34347 1 847 . 1 1 97 97 TRP HB2 H 1 2.872 0.000 . . . . . . A 97 TRP HB2 . 34347 1 848 . 1 1 97 97 TRP HB3 H 1 2.872 0.000 . . . . . . A 97 TRP HB3 . 34347 1 849 . 1 1 97 97 TRP C C 13 175.240 0.209 . . . . . . A 97 TRP C . 34347 1 850 . 1 1 97 97 TRP CA C 13 58.269 0.336 . . . . . . A 97 TRP CA . 34347 1 851 . 1 1 97 97 TRP CB C 13 30.800 0.000 . . . . . . A 97 TRP CB . 34347 1 852 . 1 1 97 97 TRP N N 15 119.393 0.162 . . . . . . A 97 TRP N . 34347 1 853 . 1 1 98 98 GLY H H 1 7.988 0.050 . . . . . . A 98 GLY H . 34347 1 854 . 1 1 98 98 GLY HA2 H 1 4.392 0.244 . . . . . . A 98 GLY HA2 . 34347 1 855 . 1 1 98 98 GLY HA3 H 1 4.565 0.000 . . . . . . A 98 GLY HA3 . 34347 1 856 . 1 1 98 98 GLY C C 13 174.771 0.000 . . . . . . A 98 GLY C . 34347 1 857 . 1 1 98 98 GLY CA C 13 43.915 0.089 . . . . . . A 98 GLY CA . 34347 1 858 . 1 1 98 98 GLY N N 15 108.258 0.053 . . . . . . A 98 GLY N . 34347 1 859 . 1 1 99 99 SER H H 1 8.309 0.027 . . . . . . A 99 SER H . 34347 1 860 . 1 1 99 99 SER HA H 1 4.172 0.068 . . . . . . A 99 SER HA . 34347 1 861 . 1 1 99 99 SER HB2 H 1 3.314 0.000 . . . . . . A 99 SER HB2 . 34347 1 862 . 1 1 99 99 SER HB3 H 1 3.314 0.000 . . . . . . A 99 SER HB3 . 34347 1 863 . 1 1 99 99 SER C C 13 173.089 0.184 . . . . . . A 99 SER C . 34347 1 864 . 1 1 99 99 SER CA C 13 57.991 0.169 . . . . . . A 99 SER CA . 34347 1 865 . 1 1 99 99 SER CB C 13 62.300 0.000 . . . . . . A 99 SER CB . 34347 1 866 . 1 1 99 99 SER N N 15 110.975 0.315 . . . . . . A 99 SER N . 34347 1 867 . 1 1 100 100 LEU H H 1 7.190 0.035 . . . . . . A 100 LEU H . 34347 1 868 . 1 1 100 100 LEU HA H 1 4.563 0.067 . . . . . . A 100 LEU HA . 34347 1 869 . 1 1 100 100 LEU HB2 H 1 2.155 0.000 . . . . . . A 100 LEU HB2 . 34347 1 870 . 1 1 100 100 LEU HB3 H 1 2.155 0.000 . . . . . . A 100 LEU HB3 . 34347 1 871 . 1 1 100 100 LEU HG H 1 1.529 0.000 . . . . . . A 100 LEU HG . 34347 1 872 . 1 1 100 100 LEU HD21 H 1 0.903 0.000 . . . . . . A 100 LEU HD21 . 34347 1 873 . 1 1 100 100 LEU HD22 H 1 0.903 0.000 . . . . . . A 100 LEU HD22 . 34347 1 874 . 1 1 100 100 LEU HD23 H 1 0.903 0.000 . . . . . . A 100 LEU HD23 . 34347 1 875 . 1 1 100 100 LEU C C 13 177.799 0.000 . . . . . . A 100 LEU C . 34347 1 876 . 1 1 100 100 LEU CA C 13 52.941 0.184 . . . . . . A 100 LEU CA . 34347 1 877 . 1 1 100 100 LEU CB C 13 46.204 0.000 . . . . . . A 100 LEU CB . 34347 1 878 . 1 1 100 100 LEU CG C 13 25.800 0.000 . . . . . . A 100 LEU CG . 34347 1 879 . 1 1 100 100 LEU CD1 C 13 24.500 0.000 . . . . . . A 100 LEU CD1 . 34347 1 880 . 1 1 100 100 LEU CD2 C 13 22.800 0.000 . . . . . . A 100 LEU CD2 . 34347 1 881 . 1 1 100 100 LEU N N 15 119.418 0.004 . . . . . . A 100 LEU N . 34347 1 882 . 1 1 101 101 ASP H H 1 9.012 0.029 . . . . . . A 101 ASP H . 34347 1 883 . 1 1 101 101 ASP HA H 1 5.560 0.000 . . . . . . A 101 ASP HA . 34347 1 884 . 1 1 101 101 ASP CA C 13 57.174 0.090 . . . . . . A 101 ASP CA . 34347 1 885 . 1 1 101 101 ASP N N 15 122.673 0.112 . . . . . . A 101 ASP N . 34347 1 886 . 1 1 102 102 GLY H H 1 7.213 0.066 . . . . . . A 102 GLY H . 34347 1 887 . 1 1 102 102 GLY HA2 H 1 3.627 0.000 . . . . . . A 102 GLY HA2 . 34347 1 888 . 1 1 102 102 GLY HA3 H 1 3.976 0.000 . . . . . . A 102 GLY HA3 . 34347 1 889 . 1 1 102 102 GLY C C 13 171.524 0.000 . . . . . . A 102 GLY C . 34347 1 890 . 1 1 102 102 GLY CA C 13 45.361 0.219 . . . . . . A 102 GLY CA . 34347 1 891 . 1 1 102 102 GLY N N 15 103.202 0.211 . . . . . . A 102 GLY N . 34347 1 892 . 1 1 103 103 GLN H H 1 7.795 0.028 . . . . . . A 103 GLN H . 34347 1 893 . 1 1 103 103 GLN HA H 1 4.236 0.033 . . . . . . A 103 GLN HA . 34347 1 894 . 1 1 103 103 GLN HB2 H 1 1.419 0.000 . . . . . . A 103 GLN HB2 . 34347 1 895 . 1 1 103 103 GLN HB3 H 1 1.419 0.000 . . . . . . A 103 GLN HB3 . 34347 1 896 . 1 1 103 103 GLN HG2 H 1 2.191 0.000 . . . . . . A 103 GLN HG2 . 34347 1 897 . 1 1 103 103 GLN HG3 H 1 2.191 0.000 . . . . . . A 103 GLN HG3 . 34347 1 898 . 1 1 103 103 GLN C C 13 171.098 0.004 . . . . . . A 103 GLN C . 34347 1 899 . 1 1 103 103 GLN CA C 13 52.755 0.049 . . . . . . A 103 GLN CA . 34347 1 900 . 1 1 103 103 GLN CB C 13 30.200 0.000 . . . . . . A 103 GLN CB . 34347 1 901 . 1 1 103 103 GLN CG C 13 31.400 0.000 . . . . . . A 103 GLN CG . 34347 1 902 . 1 1 103 103 GLN N N 15 113.036 0.293 . . . . . . A 103 GLN N . 34347 1 903 . 1 1 104 104 GLY H H 1 8.261 0.044 . . . . . . A 104 GLY H . 34347 1 904 . 1 1 104 104 GLY HA2 H 1 4.229 0.000 . . . . . . A 104 GLY HA2 . 34347 1 905 . 1 1 104 104 GLY HA3 H 1 4.229 0.000 . . . . . . A 104 GLY HA3 . 34347 1 906 . 1 1 104 104 GLY C C 13 170.935 0.020 . . . . . . A 104 GLY C . 34347 1 907 . 1 1 104 104 GLY CA C 13 45.812 0.201 . . . . . . A 104 GLY CA . 34347 1 908 . 1 1 104 104 GLY N N 15 105.992 0.099 . . . . . . A 104 GLY N . 34347 1 909 . 1 1 105 105 SER H H 1 7.419 0.020 . . . . . . A 105 SER H . 34347 1 910 . 1 1 105 105 SER HA H 1 4.214 0.009 . . . . . . A 105 SER HA . 34347 1 911 . 1 1 105 105 SER HB2 H 1 3.869 0.000 . . . . . . A 105 SER HB2 . 34347 1 912 . 1 1 105 105 SER HB3 H 1 3.869 0.000 . . . . . . A 105 SER HB3 . 34347 1 913 . 1 1 105 105 SER C C 13 172.342 0.000 . . . . . . A 105 SER C . 34347 1 914 . 1 1 105 105 SER CA C 13 57.657 0.147 . . . . . . A 105 SER CA . 34347 1 915 . 1 1 105 105 SER CB C 13 62.800 0.000 . . . . . . A 105 SER CB . 34347 1 916 . 1 1 105 105 SER N N 15 107.582 0.191 . . . . . . A 105 SER N . 34347 1 917 . 1 1 106 106 GLU H H 1 8.454 0.029 . . . . . . A 106 GLU H . 34347 1 918 . 1 1 106 106 GLU HA H 1 4.370 0.000 . . . . . . A 106 GLU HA . 34347 1 919 . 1 1 106 106 GLU HB2 H 1 2.118 0.000 . . . . . . A 106 GLU HB2 . 34347 1 920 . 1 1 106 106 GLU HB3 H 1 2.118 0.000 . . . . . . A 106 GLU HB3 . 34347 1 921 . 1 1 106 106 GLU HG2 H 1 2.670 0.000 . . . . . . A 106 GLU HG2 . 34347 1 922 . 1 1 106 106 GLU HG3 H 1 2.670 0.000 . . . . . . A 106 GLU HG3 . 34347 1 923 . 1 1 106 106 GLU C C 13 177.479 0.214 . . . . . . A 106 GLU C . 34347 1 924 . 1 1 106 106 GLU CA C 13 58.095 0.147 . . . . . . A 106 GLU CA . 34347 1 925 . 1 1 106 106 GLU CB C 13 29.800 0.000 . . . . . . A 106 GLU CB . 34347 1 926 . 1 1 106 106 GLU CG C 13 35.086 0.000 . . . . . . A 106 GLU CG . 34347 1 927 . 1 1 106 106 GLU N N 15 119.377 0.045 . . . . . . A 106 GLU N . 34347 1 928 . 1 1 107 107 HIS H H 1 10.789 0.062 . . . . . . A 107 HIS H . 34347 1 929 . 1 1 107 107 HIS HA H 1 4.377 0.079 . . . . . . A 107 HIS HA . 34347 1 930 . 1 1 107 107 HIS HB2 H 1 3.314 0.000 . . . . . . A 107 HIS HB2 . 34347 1 931 . 1 1 107 107 HIS HB3 H 1 3.314 0.000 . . . . . . A 107 HIS HB3 . 34347 1 932 . 1 1 107 107 HIS CA C 13 59.868 0.311 . . . . . . A 107 HIS CA . 34347 1 933 . 1 1 107 107 HIS CB C 13 28.187 0.034 . . . . . . A 107 HIS CB . 34347 1 934 . 1 1 107 107 HIS N N 15 117.938 0.252 . . . . . . A 107 HIS N . 34347 1 935 . 1 1 108 108 THR H H 1 7.369 0.033 . . . . . . A 108 THR H . 34347 1 936 . 1 1 108 108 THR HA H 1 4.674 0.015 . . . . . . A 108 THR HA . 34347 1 937 . 1 1 108 108 THR HB H 1 3.599 0.124 . . . . . . A 108 THR HB . 34347 1 938 . 1 1 108 108 THR HG21 H 1 1.511 0.000 . . . . . . A 108 THR HG21 . 34347 1 939 . 1 1 108 108 THR HG22 H 1 1.511 0.000 . . . . . . A 108 THR HG22 . 34347 1 940 . 1 1 108 108 THR HG23 H 1 1.511 0.000 . . . . . . A 108 THR HG23 . 34347 1 941 . 1 1 108 108 THR C C 13 173.351 0.000 . . . . . . A 108 THR C . 34347 1 942 . 1 1 108 108 THR CA C 13 58.599 0.141 . . . . . . A 108 THR CA . 34347 1 943 . 1 1 108 108 THR CB C 13 71.202 0.019 . . . . . . A 108 THR CB . 34347 1 944 . 1 1 108 108 THR CG2 C 13 29.337 14.647 . . . . . . A 108 THR CG2 . 34347 1 945 . 1 1 108 108 THR N N 15 108.961 0.179 . . . . . . A 108 THR N . 34347 1 946 . 1 1 109 109 VAL H H 1 7.681 0.024 . . . . . . A 109 VAL H . 34347 1 947 . 1 1 109 109 VAL HA H 1 4.451 0.000 . . . . . . A 109 VAL HA . 34347 1 948 . 1 1 109 109 VAL HB H 1 1.805 0.000 . . . . . . A 109 VAL HB . 34347 1 949 . 1 1 109 109 VAL HG21 H 1 0.793 0.000 . . . . . . A 109 VAL HG21 . 34347 1 950 . 1 1 109 109 VAL HG22 H 1 0.793 0.000 . . . . . . A 109 VAL HG22 . 34347 1 951 . 1 1 109 109 VAL HG23 H 1 0.793 0.000 . . . . . . A 109 VAL HG23 . 34347 1 952 . 1 1 109 109 VAL C C 13 176.704 0.012 . . . . . . A 109 VAL C . 34347 1 953 . 1 1 109 109 VAL CA C 13 60.513 0.195 . . . . . . A 109 VAL CA . 34347 1 954 . 1 1 109 109 VAL CB C 13 32.891 0.029 . . . . . . A 109 VAL CB . 34347 1 955 . 1 1 109 109 VAL CG1 C 13 20.946 0.075 . . . . . . A 109 VAL CG1 . 34347 1 956 . 1 1 109 109 VAL CG2 C 13 20.947 0.065 . . . . . . A 109 VAL CG2 . 34347 1 957 . 1 1 109 109 VAL N N 15 118.333 0.116 . . . . . . A 109 VAL N . 34347 1 958 . 1 1 110 110 ASP H H 1 9.718 0.018 . . . . . . A 110 ASP H . 34347 1 959 . 1 1 110 110 ASP HA H 1 4.662 0.000 . . . . . . A 110 ASP HA . 34347 1 960 . 1 1 110 110 ASP HB2 H 1 2.817 0.000 . . . . . . A 110 ASP HB2 . 34347 1 961 . 1 1 110 110 ASP HB3 H 1 2.817 0.000 . . . . . . A 110 ASP HB3 . 34347 1 962 . 1 1 110 110 ASP C C 13 176.596 0.036 . . . . . . A 110 ASP C . 34347 1 963 . 1 1 110 110 ASP CA C 13 55.769 0.097 . . . . . . A 110 ASP CA . 34347 1 964 . 1 1 110 110 ASP CB C 13 38.380 0.157 . . . . . . A 110 ASP CB . 34347 1 965 . 1 1 110 110 ASP N N 15 132.220 0.195 . . . . . . A 110 ASP N . 34347 1 966 . 1 1 111 111 LYS H H 1 9.843 0.027 . . . . . . A 111 LYS H . 34347 1 967 . 1 1 111 111 LYS HA H 1 3.171 0.010 . . . . . . A 111 LYS HA . 34347 1 968 . 1 1 111 111 LYS HB2 H 1 2.283 0.000 . . . . . . A 111 LYS HB2 . 34347 1 969 . 1 1 111 111 LYS HB3 H 1 2.283 0.000 . . . . . . A 111 LYS HB3 . 34347 1 970 . 1 1 111 111 LYS HG2 H 1 1.179 0.000 . . . . . . A 111 LYS HG2 . 34347 1 971 . 1 1 111 111 LYS HG3 H 1 1.179 0.000 . . . . . . A 111 LYS HG3 . 34347 1 972 . 1 1 111 111 LYS HE2 H 1 2.799 0.000 . . . . . . A 111 LYS HE2 . 34347 1 973 . 1 1 111 111 LYS HE3 H 1 2.799 0.000 . . . . . . A 111 LYS HE3 . 34347 1 974 . 1 1 111 111 LYS C C 13 175.467 0.136 . . . . . . A 111 LYS C . 34347 1 975 . 1 1 111 111 LYS CA C 13 57.109 0.229 . . . . . . A 111 LYS CA . 34347 1 976 . 1 1 111 111 LYS CB C 13 28.853 0.182 . . . . . . A 111 LYS CB . 34347 1 977 . 1 1 111 111 LYS CG C 13 24.414 0.135 . . . . . . A 111 LYS CG . 34347 1 978 . 1 1 111 111 LYS CD C 13 27.464 0.124 . . . . . . A 111 LYS CD . 34347 1 979 . 1 1 111 111 LYS CE C 13 41.652 0.090 . . . . . . A 111 LYS CE . 34347 1 980 . 1 1 111 111 LYS N N 15 109.902 0.208 . . . . . . A 111 LYS N . 34347 1 981 . 1 1 112 112 LYS H H 1 8.295 0.026 . . . . . . A 112 LYS H . 34347 1 982 . 1 1 112 112 LYS HA H 1 3.976 0.000 . . . . . . A 112 LYS HA . 34347 1 983 . 1 1 112 112 LYS HB2 H 1 1.695 0.000 . . . . . . A 112 LYS HB2 . 34347 1 984 . 1 1 112 112 LYS HB3 H 1 1.695 0.000 . . . . . . A 112 LYS HB3 . 34347 1 985 . 1 1 112 112 LYS HG2 H 1 0.793 0.000 . . . . . . A 112 LYS HG2 . 34347 1 986 . 1 1 112 112 LYS HG3 H 1 0.793 0.000 . . . . . . A 112 LYS HG3 . 34347 1 987 . 1 1 112 112 LYS HD2 H 1 1.382 0.000 . . . . . . A 112 LYS HD2 . 34347 1 988 . 1 1 112 112 LYS HD3 H 1 1.382 0.000 . . . . . . A 112 LYS HD3 . 34347 1 989 . 1 1 112 112 LYS HE2 H 1 3.443 0.000 . . . . . . A 112 LYS HE2 . 34347 1 990 . 1 1 112 112 LYS HE3 H 1 3.443 0.000 . . . . . . A 112 LYS HE3 . 34347 1 991 . 1 1 112 112 LYS C C 13 176.010 0.000 . . . . . . A 112 LYS C . 34347 1 992 . 1 1 112 112 LYS CA C 13 56.160 0.443 . . . . . . A 112 LYS CA . 34347 1 993 . 1 1 112 112 LYS CB C 13 31.890 0.000 . . . . . . A 112 LYS CB . 34347 1 994 . 1 1 112 112 LYS CG C 13 23.647 0.000 . . . . . . A 112 LYS CG . 34347 1 995 . 1 1 112 112 LYS CD C 13 28.731 0.000 . . . . . . A 112 LYS CD . 34347 1 996 . 1 1 112 112 LYS CE C 13 40.762 0.000 . . . . . . A 112 LYS CE . 34347 1 997 . 1 1 112 112 LYS N N 15 125.258 0.080 . . . . . . A 112 LYS N . 34347 1 998 . 1 1 113 113 LYS H H 1 7.958 0.045 . . . . . . A 113 LYS H . 34347 1 999 . 1 1 113 113 LYS HA H 1 4.086 0.009 . . . . . . A 113 LYS HA . 34347 1 1000 . 1 1 113 113 LYS HB2 H 1 1.400 0.000 . . . . . . A 113 LYS HB2 . 34347 1 1001 . 1 1 113 113 LYS HB3 H 1 1.400 0.000 . . . . . . A 113 LYS HB3 . 34347 1 1002 . 1 1 113 113 LYS HG2 H 1 0.498 0.000 . . . . . . A 113 LYS HG2 . 34347 1 1003 . 1 1 113 113 LYS HG3 H 1 0.498 0.000 . . . . . . A 113 LYS HG3 . 34347 1 1004 . 1 1 113 113 LYS HD2 H 1 0.885 0.000 . . . . . . A 113 LYS HD2 . 34347 1 1005 . 1 1 113 113 LYS HD3 H 1 0.885 0.000 . . . . . . A 113 LYS HD3 . 34347 1 1006 . 1 1 113 113 LYS HE2 H 1 3.259 0.000 . . . . . . A 113 LYS HE2 . 34347 1 1007 . 1 1 113 113 LYS HE3 H 1 3.259 0.000 . . . . . . A 113 LYS HE3 . 34347 1 1008 . 1 1 113 113 LYS C C 13 175.629 0.000 . . . . . . A 113 LYS C . 34347 1 1009 . 1 1 113 113 LYS CA C 13 54.201 0.099 . . . . . . A 113 LYS CA . 34347 1 1010 . 1 1 113 113 LYS CB C 13 34.620 0.000 . . . . . . A 113 LYS CB . 34347 1 1011 . 1 1 113 113 LYS CG C 13 25.200 0.000 . . . . . . A 113 LYS CG . 34347 1 1012 . 1 1 113 113 LYS CD C 13 28.500 0.000 . . . . . . A 113 LYS CD . 34347 1 1013 . 1 1 113 113 LYS N N 15 123.355 0.178 . . . . . . A 113 LYS N . 34347 1 1014 . 1 1 114 114 TYR H H 1 8.165 0.065 . . . . . . A 114 TYR H . 34347 1 1015 . 1 1 114 114 TYR HA H 1 4.563 0.039 . . . . . . A 114 TYR HA . 34347 1 1016 . 1 1 114 114 TYR HB2 H 1 3.150 0.000 . . . . . . A 114 TYR HB2 . 34347 1 1017 . 1 1 114 114 TYR HB3 H 1 2.670 0.000 . . . . . . A 114 TYR HB3 . 34347 1 1018 . 1 1 114 114 TYR C C 13 173.225 0.066 . . . . . . A 114 TYR C . 34347 1 1019 . 1 1 114 114 TYR CA C 13 57.400 0.203 . . . . . . A 114 TYR CA . 34347 1 1020 . 1 1 114 114 TYR CB C 13 38.856 0.097 . . . . . . A 114 TYR CB . 34347 1 1021 . 1 1 114 114 TYR N N 15 120.667 0.118 . . . . . . A 114 TYR N . 34347 1 1022 . 1 1 115 115 ALA H H 1 7.433 0.025 . . . . . . A 115 ALA H . 34347 1 1023 . 1 1 115 115 ALA HA H 1 3.868 0.424 . . . . . . A 115 ALA HA . 34347 1 1024 . 1 1 115 115 ALA HB1 H 1 1.588 0.088 . . . . . . A 115 ALA HB1 . 34347 1 1025 . 1 1 115 115 ALA HB2 H 1 1.588 0.088 . . . . . . A 115 ALA HB2 . 34347 1 1026 . 1 1 115 115 ALA HB3 H 1 1.588 0.088 . . . . . . A 115 ALA HB3 . 34347 1 1027 . 1 1 115 115 ALA C C 13 177.955 0.115 . . . . . . A 115 ALA C . 34347 1 1028 . 1 1 115 115 ALA CA C 13 53.003 0.192 . . . . . . A 115 ALA CA . 34347 1 1029 . 1 1 115 115 ALA CB C 13 18.590 0.122 . . . . . . A 115 ALA CB . 34347 1 1030 . 1 1 115 115 ALA N N 15 120.243 0.187 . . . . . . A 115 ALA N . 34347 1 1031 . 1 1 116 116 ALA H H 1 8.229 0.022 . . . . . . A 116 ALA H . 34347 1 1032 . 1 1 116 116 ALA HA H 1 4.744 0.257 . . . . . . A 116 ALA HA . 34347 1 1033 . 1 1 116 116 ALA HB1 H 1 1.860 0.000 . . . . . . A 116 ALA HB1 . 34347 1 1034 . 1 1 116 116 ALA HB2 H 1 1.860 0.000 . . . . . . A 116 ALA HB2 . 34347 1 1035 . 1 1 116 116 ALA HB3 H 1 1.860 0.000 . . . . . . A 116 ALA HB3 . 34347 1 1036 . 1 1 116 116 ALA C C 13 175.286 0.000 . . . . . . A 116 ALA C . 34347 1 1037 . 1 1 116 116 ALA CA C 13 50.659 0.119 . . . . . . A 116 ALA CA . 34347 1 1038 . 1 1 116 116 ALA CB C 13 21.649 0.121 . . . . . . A 116 ALA CB . 34347 1 1039 . 1 1 116 116 ALA N N 15 112.194 0.051 . . . . . . A 116 ALA N . 34347 1 1040 . 1 1 117 117 GLU H H 1 9.400 0.046 . . . . . . A 117 GLU H . 34347 1 1041 . 1 1 117 117 GLU HA H 1 4.013 0.000 . . . . . . A 117 GLU HA . 34347 1 1042 . 1 1 117 117 GLU HB2 H 1 2.320 0.000 . . . . . . A 117 GLU HB2 . 34347 1 1043 . 1 1 117 117 GLU HB3 H 1 2.320 0.000 . . . . . . A 117 GLU HB3 . 34347 1 1044 . 1 1 117 117 GLU C C 13 172.949 0.000 . . . . . . A 117 GLU C . 34347 1 1045 . 1 1 117 117 GLU CA C 13 55.429 0.138 . . . . . . A 117 GLU CA . 34347 1 1046 . 1 1 117 117 GLU CB C 13 35.300 0.000 . . . . . . A 117 GLU CB . 34347 1 1047 . 1 1 117 117 GLU CG C 13 35.300 0.000 . . . . . . A 117 GLU CG . 34347 1 1048 . 1 1 117 117 GLU N N 15 120.719 0.170 . . . . . . A 117 GLU N . 34347 1 1049 . 1 1 118 118 LEU H H 1 9.921 0.038 . . . . . . A 118 LEU H . 34347 1 1050 . 1 1 118 118 LEU HA H 1 4.303 0.035 . . . . . . A 118 LEU HA . 34347 1 1051 . 1 1 118 118 LEU HB2 H 1 3.369 0.000 . . . . . . A 118 LEU HB2 . 34347 1 1052 . 1 1 118 118 LEU HB3 H 1 3.369 0.000 . . . . . . A 118 LEU HB3 . 34347 1 1053 . 1 1 118 118 LEU HG H 1 1.179 0.000 . . . . . . A 118 LEU HG . 34347 1 1054 . 1 1 118 118 LEU HD21 H 1 0.793 0.000 . . . . . . A 118 LEU HD21 . 34347 1 1055 . 1 1 118 118 LEU HD22 H 1 0.793 0.000 . . . . . . A 118 LEU HD22 . 34347 1 1056 . 1 1 118 118 LEU HD23 H 1 0.793 0.000 . . . . . . A 118 LEU HD23 . 34347 1 1057 . 1 1 118 118 LEU C C 13 170.442 0.000 . . . . . . A 118 LEU C . 34347 1 1058 . 1 1 118 118 LEU CA C 13 52.252 0.231 . . . . . . A 118 LEU CA . 34347 1 1059 . 1 1 118 118 LEU CB C 13 42.246 0.110 . . . . . . A 118 LEU CB . 34347 1 1060 . 1 1 118 118 LEU CG C 13 26.101 0.003 . . . . . . A 118 LEU CG . 34347 1 1061 . 1 1 118 118 LEU CD1 C 13 27.600 0.000 . . . . . . A 118 LEU CD1 . 34347 1 1062 . 1 1 118 118 LEU CD2 C 13 20.800 0.000 . . . . . . A 118 LEU CD2 . 34347 1 1063 . 1 1 118 118 LEU N N 15 130.105 0.312 . . . . . . A 118 LEU N . 34347 1 1064 . 1 1 119 119 HIS H H 1 8.654 0.023 . . . . . . A 119 HIS H . 34347 1 1065 . 1 1 119 119 HIS HA H 1 5.154 0.000 . . . . . . A 119 HIS HA . 34347 1 1066 . 1 1 119 119 HIS HB2 H 1 2.339 0.000 . . . . . . A 119 HIS HB2 . 34347 1 1067 . 1 1 119 119 HIS HB3 H 1 1.989 0.000 . . . . . . A 119 HIS HB3 . 34347 1 1068 . 1 1 119 119 HIS CA C 13 53.264 0.294 . . . . . . A 119 HIS CA . 34347 1 1069 . 1 1 119 119 HIS CB C 13 31.373 0.000 . . . . . . A 119 HIS CB . 34347 1 1070 . 1 1 119 119 HIS N N 15 123.206 0.000 . . . . . . A 119 HIS N . 34347 1 1071 . 1 1 120 120 LEU H H 1 9.106 0.019 . . . . . . A 120 LEU H . 34347 1 1072 . 1 1 120 120 LEU HA H 1 3.934 0.005 . . . . . . A 120 LEU HA . 34347 1 1073 . 1 1 120 120 LEU CA C 13 63.285 0.058 . . . . . . A 120 LEU CA . 34347 1 1074 . 1 1 120 120 LEU N N 15 126.051 0.127 . . . . . . A 120 LEU N . 34347 1 1075 . 1 1 121 121 VAL H H 1 9.060 0.044 . . . . . . A 121 VAL H . 34347 1 1076 . 1 1 121 121 VAL HA H 1 4.590 0.003 . . . . . . A 121 VAL HA . 34347 1 1077 . 1 1 121 121 VAL HB H 1 2.173 0.000 . . . . . . A 121 VAL HB . 34347 1 1078 . 1 1 121 121 VAL HG21 H 1 1.069 0.000 . . . . . . A 121 VAL HG21 . 34347 1 1079 . 1 1 121 121 VAL HG22 H 1 1.069 0.000 . . . . . . A 121 VAL HG22 . 34347 1 1080 . 1 1 121 121 VAL HG23 H 1 1.069 0.000 . . . . . . A 121 VAL HG23 . 34347 1 1081 . 1 1 121 121 VAL C C 13 175.044 0.177 . . . . . . A 121 VAL C . 34347 1 1082 . 1 1 121 121 VAL CA C 13 60.247 0.247 . . . . . . A 121 VAL CA . 34347 1 1083 . 1 1 121 121 VAL CB C 13 31.152 0.000 . . . . . . A 121 VAL CB . 34347 1 1084 . 1 1 121 121 VAL CG1 C 13 19.800 0.000 . . . . . . A 121 VAL CG1 . 34347 1 1085 . 1 1 121 121 VAL CG2 C 13 18.648 0.000 . . . . . . A 121 VAL CG2 . 34347 1 1086 . 1 1 121 121 VAL N N 15 127.501 0.297 . . . . . . A 121 VAL N . 34347 1 1087 . 1 1 122 122 HIS H H 1 8.547 0.118 . . . . . . A 122 HIS H . 34347 1 1088 . 1 1 122 122 HIS HA H 1 4.698 0.084 . . . . . . A 122 HIS HA . 34347 1 1089 . 1 1 122 122 HIS HB2 H 1 2.964 0.000 . . . . . . A 122 HIS HB2 . 34347 1 1090 . 1 1 122 122 HIS HB3 H 1 2.964 0.000 . . . . . . A 122 HIS HB3 . 34347 1 1091 . 1 1 122 122 HIS CA C 13 53.192 0.283 . . . . . . A 122 HIS CA . 34347 1 1092 . 1 1 122 122 HIS CB C 13 30.765 0.048 . . . . . . A 122 HIS CB . 34347 1 1093 . 1 1 122 122 HIS N N 15 123.603 0.107 . . . . . . A 122 HIS N . 34347 1 1094 . 1 1 123 123 TRP H H 1 9.516 0.135 . . . . . . A 123 TRP H . 34347 1 1095 . 1 1 123 123 TRP HA H 1 5.191 0.000 . . . . . . A 123 TRP HA . 34347 1 1096 . 1 1 123 123 TRP HB2 H 1 3.314 0.000 . . . . . . A 123 TRP HB2 . 34347 1 1097 . 1 1 123 123 TRP HB3 H 1 3.019 0.000 . . . . . . A 123 TRP HB3 . 34347 1 1098 . 1 1 123 123 TRP C C 13 175.700 0.000 . . . . . . A 123 TRP C . 34347 1 1099 . 1 1 123 123 TRP CA C 13 58.010 0.113 . . . . . . A 123 TRP CA . 34347 1 1100 . 1 1 123 123 TRP CB C 13 27.389 0.000 . . . . . . A 123 TRP CB . 34347 1 1101 . 1 1 123 123 TRP N N 15 119.077 0.026 . . . . . . A 123 TRP N . 34347 1 1102 . 1 1 124 124 ASN H H 1 8.699 0.072 . . . . . . A 124 ASN H . 34347 1 1103 . 1 1 124 124 ASN HA H 1 4.113 0.219 . . . . . . A 124 ASN HA . 34347 1 1104 . 1 1 124 124 ASN HB2 H 1 2.486 0.000 . . . . . . A 124 ASN HB2 . 34347 1 1105 . 1 1 124 124 ASN HB3 H 1 2.486 0.000 . . . . . . A 124 ASN HB3 . 34347 1 1106 . 1 1 124 124 ASN C C 13 175.723 0.000 . . . . . . A 124 ASN C . 34347 1 1107 . 1 1 124 124 ASN CA C 13 53.733 0.281 . . . . . . A 124 ASN CA . 34347 1 1108 . 1 1 124 124 ASN CB C 13 39.047 0.000 . . . . . . A 124 ASN CB . 34347 1 1109 . 1 1 124 124 ASN N N 15 119.124 0.104 . . . . . . A 124 ASN N . 34347 1 1110 . 1 1 125 125 THR H H 1 8.265 0.035 . . . . . . A 125 THR H . 34347 1 1111 . 1 1 125 125 THR HA H 1 4.163 0.036 . . . . . . A 125 THR HA . 34347 1 1112 . 1 1 125 125 THR HB H 1 3.293 0.000 . . . . . . A 125 THR HB . 34347 1 1113 . 1 1 125 125 THR HG21 H 1 0.740 0.000 . . . . . . A 125 THR HG21 . 34347 1 1114 . 1 1 125 125 THR HG22 H 1 0.740 0.000 . . . . . . A 125 THR HG22 . 34347 1 1115 . 1 1 125 125 THR HG23 H 1 0.740 0.000 . . . . . . A 125 THR HG23 . 34347 1 1116 . 1 1 125 125 THR C C 13 177.036 0.030 . . . . . . A 125 THR C . 34347 1 1117 . 1 1 125 125 THR CA C 13 63.792 0.342 . . . . . . A 125 THR CA . 34347 1 1118 . 1 1 125 125 THR CB C 13 68.449 0.048 . . . . . . A 125 THR CB . 34347 1 1119 . 1 1 125 125 THR CG2 C 13 20.682 0.000 . . . . . . A 125 THR CG2 . 34347 1 1120 . 1 1 125 125 THR N N 15 117.393 0.093 . . . . . . A 125 THR N . 34347 1 1121 . 1 1 126 126 LYS H H 1 7.903 0.030 . . . . . . A 126 LYS H . 34347 1 1122 . 1 1 126 126 LYS HA H 1 3.872 0.016 . . . . . . A 126 LYS HA . 34347 1 1123 . 1 1 126 126 LYS HB2 H 1 1.759 0.000 . . . . . . A 126 LYS HB2 . 34347 1 1124 . 1 1 126 126 LYS HB3 H 1 1.759 0.000 . . . . . . A 126 LYS HB3 . 34347 1 1125 . 1 1 126 126 LYS HG2 H 1 0.912 0.000 . . . . . . A 126 LYS HG2 . 34347 1 1126 . 1 1 126 126 LYS HG3 H 1 0.912 0.000 . . . . . . A 126 LYS HG3 . 34347 1 1127 . 1 1 126 126 LYS HD2 H 1 1.382 0.000 . . . . . . A 126 LYS HD2 . 34347 1 1128 . 1 1 126 126 LYS HD3 H 1 1.382 0.000 . . . . . . A 126 LYS HD3 . 34347 1 1129 . 1 1 126 126 LYS HE2 H 1 2.651 0.000 . . . . . . A 126 LYS HE2 . 34347 1 1130 . 1 1 126 126 LYS HE3 H 1 2.651 0.000 . . . . . . A 126 LYS HE3 . 34347 1 1131 . 1 1 126 126 LYS C C 13 177.123 0.000 . . . . . . A 126 LYS C . 34347 1 1132 . 1 1 126 126 LYS CA C 13 57.860 0.170 . . . . . . A 126 LYS CA . 34347 1 1133 . 1 1 126 126 LYS CB C 13 31.303 0.012 . . . . . . A 126 LYS CB . 34347 1 1134 . 1 1 126 126 LYS CG C 13 22.547 0.166 . . . . . . A 126 LYS CG . 34347 1 1135 . 1 1 126 126 LYS CD C 13 28.733 0.115 . . . . . . A 126 LYS CD . 34347 1 1136 . 1 1 126 126 LYS N N 15 123.115 0.137 . . . . . . A 126 LYS N . 34347 1 1137 . 1 1 127 127 TYR H H 1 7.576 0.020 . . . . . . A 127 TYR H . 34347 1 1138 . 1 1 127 127 TYR HA H 1 4.744 0.000 . . . . . . A 127 TYR HA . 34347 1 1139 . 1 1 127 127 TYR HB2 H 1 3.240 0.000 . . . . . . A 127 TYR HB2 . 34347 1 1140 . 1 1 127 127 TYR HB3 H 1 2.670 0.000 . . . . . . A 127 TYR HB3 . 34347 1 1141 . 1 1 127 127 TYR C C 13 177.268 0.000 . . . . . . A 127 TYR C . 34347 1 1142 . 1 1 127 127 TYR CA C 13 56.567 0.108 . . . . . . A 127 TYR CA . 34347 1 1143 . 1 1 127 127 TYR CB C 13 37.350 0.088 . . . . . . A 127 TYR CB . 34347 1 1144 . 1 1 127 127 TYR N N 15 114.427 0.201 . . . . . . A 127 TYR N . 34347 1 1145 . 1 1 128 128 GLY H H 1 9.008 0.045 . . . . . . A 128 GLY H . 34347 1 1146 . 1 1 128 128 GLY HA2 H 1 3.926 0.170 . . . . . . A 128 GLY HA2 . 34347 1 1147 . 1 1 128 128 GLY HA3 H 1 4.436 0.000 . . . . . . A 128 GLY HA3 . 34347 1 1148 . 1 1 128 128 GLY C C 13 173.163 0.000 . . . . . . A 128 GLY C . 34347 1 1149 . 1 1 128 128 GLY CA C 13 45.469 0.315 . . . . . . A 128 GLY CA . 34347 1 1150 . 1 1 128 128 GLY N N 15 103.769 0.155 . . . . . . A 128 GLY N . 34347 1 1151 . 1 1 129 129 ASP H H 1 7.409 0.062 . . . . . . A 129 ASP H . 34347 1 1152 . 1 1 129 129 ASP HA H 1 4.240 0.398 . . . . . . A 129 ASP HA . 34347 1 1153 . 1 1 129 129 ASP HB2 H 1 2.535 0.080 . . . . . . A 129 ASP HB2 . 34347 1 1154 . 1 1 129 129 ASP HB3 H 1 2.537 0.078 . . . . . . A 129 ASP HB3 . 34347 1 1155 . 1 1 129 129 ASP C C 13 173.730 0.000 . . . . . . A 129 ASP C . 34347 1 1156 . 1 1 129 129 ASP CA C 13 53.052 0.256 . . . . . . A 129 ASP CA . 34347 1 1157 . 1 1 129 129 ASP CB C 13 43.442 0.099 . . . . . . A 129 ASP CB . 34347 1 1158 . 1 1 129 129 ASP N N 15 115.708 0.318 . . . . . . A 129 ASP N . 34347 1 1159 . 1 1 130 130 PHE H H 1 7.423 0.018 . . . . . . A 130 PHE H . 34347 1 1160 . 1 1 130 130 PHE HA H 1 4.652 0.000 . . . . . . A 130 PHE HA . 34347 1 1161 . 1 1 130 130 PHE HB2 H 1 2.523 0.000 . . . . . . A 130 PHE HB2 . 34347 1 1162 . 1 1 130 130 PHE HB3 H 1 2.523 0.000 . . . . . . A 130 PHE HB3 . 34347 1 1163 . 1 1 130 130 PHE C C 13 175.262 0.000 . . . . . . A 130 PHE C . 34347 1 1164 . 1 1 130 130 PHE CA C 13 61.464 0.404 . . . . . . A 130 PHE CA . 34347 1 1165 . 1 1 130 130 PHE CB C 13 39.000 0.000 . . . . . . A 130 PHE CB . 34347 1 1166 . 1 1 130 130 PHE N N 15 119.849 0.239 . . . . . . A 130 PHE N . 34347 1 1167 . 1 1 131 131 GLY H H 1 8.221 0.036 . . . . . . A 131 GLY H . 34347 1 1168 . 1 1 131 131 GLY HA2 H 1 3.325 0.324 . . . . . . A 131 GLY HA2 . 34347 1 1169 . 1 1 131 131 GLY HA3 H 1 3.590 0.000 . . . . . . A 131 GLY HA3 . 34347 1 1170 . 1 1 131 131 GLY C C 13 176.863 0.091 . . . . . . A 131 GLY C . 34347 1 1171 . 1 1 131 131 GLY CA C 13 45.857 0.171 . . . . . . A 131 GLY CA . 34347 1 1172 . 1 1 131 131 GLY N N 15 104.228 0.178 . . . . . . A 131 GLY N . 34347 1 1173 . 1 1 132 132 LYS H H 1 7.775 0.022 . . . . . . A 132 LYS H . 34347 1 1174 . 1 1 132 132 LYS HA H 1 4.114 0.021 . . . . . . A 132 LYS HA . 34347 1 1175 . 1 1 132 132 LYS HB2 H 1 2.017 0.000 . . . . . . A 132 LYS HB2 . 34347 1 1176 . 1 1 132 132 LYS HB3 H 1 2.017 0.000 . . . . . . A 132 LYS HB3 . 34347 1 1177 . 1 1 132 132 LYS HG2 H 1 1.372 0.000 . . . . . . A 132 LYS HG2 . 34347 1 1178 . 1 1 132 132 LYS HG3 H 1 1.372 0.000 . . . . . . A 132 LYS HG3 . 34347 1 1179 . 1 1 132 132 LYS HD2 H 1 1.805 0.000 . . . . . . A 132 LYS HD2 . 34347 1 1180 . 1 1 132 132 LYS HD3 H 1 1.805 0.000 . . . . . . A 132 LYS HD3 . 34347 1 1181 . 1 1 132 132 LYS HE2 H 1 3.159 0.000 . . . . . . A 132 LYS HE2 . 34347 1 1182 . 1 1 132 132 LYS HE3 H 1 3.159 0.000 . . . . . . A 132 LYS HE3 . 34347 1 1183 . 1 1 132 132 LYS C C 13 179.965 0.006 . . . . . . A 132 LYS C . 34347 1 1184 . 1 1 132 132 LYS CA C 13 55.378 0.285 . . . . . . A 132 LYS CA . 34347 1 1185 . 1 1 132 132 LYS CB C 13 31.193 0.129 . . . . . . A 132 LYS CB . 34347 1 1186 . 1 1 132 132 LYS CG C 13 24.850 0.362 . . . . . . A 132 LYS CG . 34347 1 1187 . 1 1 132 132 LYS CD C 13 27.719 0.107 . . . . . . A 132 LYS CD . 34347 1 1188 . 1 1 132 132 LYS CE C 13 41.409 0.054 . . . . . . A 132 LYS CE . 34347 1 1189 . 1 1 132 132 LYS N N 15 119.144 0.257 . . . . . . A 132 LYS N . 34347 1 1190 . 1 1 133 133 ALA H H 1 7.925 0.015 . . . . . . A 133 ALA H . 34347 1 1191 . 1 1 133 133 ALA HA H 1 3.601 0.167 . . . . . . A 133 ALA HA . 34347 1 1192 . 1 1 133 133 ALA HB1 H 1 1.564 0.126 . . . . . . A 133 ALA HB1 . 34347 1 1193 . 1 1 133 133 ALA HB2 H 1 1.564 0.126 . . . . . . A 133 ALA HB2 . 34347 1 1194 . 1 1 133 133 ALA HB3 H 1 1.564 0.126 . . . . . . A 133 ALA HB3 . 34347 1 1195 . 1 1 133 133 ALA C C 13 179.249 0.063 . . . . . . A 133 ALA C . 34347 1 1196 . 1 1 133 133 ALA CA C 13 55.046 0.116 . . . . . . A 133 ALA CA . 34347 1 1197 . 1 1 133 133 ALA CB C 13 17.852 0.059 . . . . . . A 133 ALA CB . 34347 1 1198 . 1 1 133 133 ALA N N 15 124.306 0.197 . . . . . . A 133 ALA N . 34347 1 1199 . 1 1 134 134 VAL H H 1 7.389 0.021 . . . . . . A 134 VAL H . 34347 1 1200 . 1 1 134 134 VAL HA H 1 3.910 0.095 . . . . . . A 134 VAL HA . 34347 1 1201 . 1 1 134 134 VAL HB H 1 1.823 0.000 . . . . . . A 134 VAL HB . 34347 1 1202 . 1 1 134 134 VAL HG21 H 1 0.167 0.000 . . . . . . A 134 VAL HG21 . 34347 1 1203 . 1 1 134 134 VAL HG22 H 1 0.167 0.000 . . . . . . A 134 VAL HG22 . 34347 1 1204 . 1 1 134 134 VAL HG23 H 1 0.167 0.000 . . . . . . A 134 VAL HG23 . 34347 1 1205 . 1 1 134 134 VAL C C 13 174.568 0.020 . . . . . . A 134 VAL C . 34347 1 1206 . 1 1 134 134 VAL CA C 13 62.375 0.357 . . . . . . A 134 VAL CA . 34347 1 1207 . 1 1 134 134 VAL CB C 13 29.900 0.000 . . . . . . A 134 VAL CB . 34347 1 1208 . 1 1 134 134 VAL CG1 C 13 19.700 0.000 . . . . . . A 134 VAL CG1 . 34347 1 1209 . 1 1 134 134 VAL CG2 C 13 18.600 0.000 . . . . . . A 134 VAL CG2 . 34347 1 1210 . 1 1 134 134 VAL N N 15 106.903 0.195 . . . . . . A 134 VAL N . 34347 1 1211 . 1 1 135 135 GLN H H 1 6.677 0.020 . . . . . . A 135 GLN H . 34347 1 1212 . 1 1 135 135 GLN HA H 1 4.168 0.007 . . . . . . A 135 GLN HA . 34347 1 1213 . 1 1 135 135 GLN HB2 H 1 2.007 0.000 . . . . . . A 135 GLN HB2 . 34347 1 1214 . 1 1 135 135 GLN HB3 H 1 2.007 0.000 . . . . . . A 135 GLN HB3 . 34347 1 1215 . 1 1 135 135 GLN HG2 H 1 2.319 0.000 . . . . . . A 135 GLN HG2 . 34347 1 1216 . 1 1 135 135 GLN HG3 H 1 2.319 0.000 . . . . . . A 135 GLN HG3 . 34347 1 1217 . 1 1 135 135 GLN C C 13 174.567 0.025 . . . . . . A 135 GLN C . 34347 1 1218 . 1 1 135 135 GLN CA C 13 54.278 0.168 . . . . . . A 135 GLN CA . 34347 1 1219 . 1 1 135 135 GLN CB C 13 28.061 0.174 . . . . . . A 135 GLN CB . 34347 1 1220 . 1 1 135 135 GLN CG C 13 33.259 0.157 . . . . . . A 135 GLN CG . 34347 1 1221 . 1 1 135 135 GLN N N 15 114.308 0.154 . . . . . . A 135 GLN N . 34347 1 1222 . 1 1 136 136 GLN H H 1 7.472 0.020 . . . . . . A 136 GLN H . 34347 1 1223 . 1 1 136 136 GLN HA H 1 4.737 0.014 . . . . . . A 136 GLN HA . 34347 1 1224 . 1 1 136 136 GLN HB2 H 1 2.007 0.000 . . . . . . A 136 GLN HB2 . 34347 1 1225 . 1 1 136 136 GLN HB3 H 1 1.897 0.000 . . . . . . A 136 GLN HB3 . 34347 1 1226 . 1 1 136 136 GLN HG2 H 1 2.301 0.000 . . . . . . A 136 GLN HG2 . 34347 1 1227 . 1 1 136 136 GLN HG3 H 1 2.301 0.000 . . . . . . A 136 GLN HG3 . 34347 1 1228 . 1 1 136 136 GLN C C 13 175.412 0.000 . . . . . . A 136 GLN C . 34347 1 1229 . 1 1 136 136 GLN CA C 13 51.191 0.262 . . . . . . A 136 GLN CA . 34347 1 1230 . 1 1 136 136 GLN CB C 13 27.962 0.191 . . . . . . A 136 GLN CB . 34347 1 1231 . 1 1 136 136 GLN CG C 13 28.731 0.000 . . . . . . A 136 GLN CG . 34347 1 1232 . 1 1 136 136 GLN N N 15 117.717 0.187 . . . . . . A 136 GLN N . 34347 1 1233 . 1 1 137 137 PRO CA C 13 64.300 0.000 . . . . . . A 137 PRO CA . 34347 1 1234 . 1 1 137 137 PRO CB C 13 31.200 0.000 . . . . . . A 137 PRO CB . 34347 1 1235 . 1 1 137 137 PRO CG C 13 27.200 0.000 . . . . . . A 137 PRO CG . 34347 1 1236 . 1 1 137 137 PRO CD C 13 49.800 0.000 . . . . . . A 137 PRO CD . 34347 1 1237 . 1 1 138 138 ASP H H 1 7.581 0.000 . . . . . . A 138 ASP H . 34347 1 1238 . 1 1 138 138 ASP HA H 1 5.007 0.000 . . . . . . A 138 ASP HA . 34347 1 1239 . 1 1 138 138 ASP HB2 H 1 3.019 0.000 . . . . . . A 138 ASP HB2 . 34347 1 1240 . 1 1 138 138 ASP HB3 H 1 2.449 0.000 . . . . . . A 138 ASP HB3 . 34347 1 1241 . 1 1 138 138 ASP C C 13 177.279 0.000 . . . . . . A 138 ASP C . 34347 1 1242 . 1 1 138 138 ASP CA C 13 50.723 0.053 . . . . . . A 138 ASP CA . 34347 1 1243 . 1 1 138 138 ASP CB C 13 37.350 0.000 . . . . . . A 138 ASP CB . 34347 1 1244 . 1 1 138 138 ASP N N 15 114.827 0.000 . . . . . . A 138 ASP N . 34347 1 1245 . 1 1 139 139 GLY H H 1 7.680 0.026 . . . . . . A 139 GLY H . 34347 1 1246 . 1 1 139 139 GLY HA3 H 1 4.946 0.000 . . . . . . A 139 GLY HA3 . 34347 1 1247 . 1 1 139 139 GLY C C 13 173.831 0.000 . . . . . . A 139 GLY C . 34347 1 1248 . 1 1 139 139 GLY CA C 13 48.257 0.148 . . . . . . A 139 GLY CA . 34347 1 1249 . 1 1 139 139 GLY N N 15 106.522 0.204 . . . . . . A 139 GLY N . 34347 1 1250 . 1 1 140 140 LEU H H 1 8.885 0.032 . . . . . . A 140 LEU H . 34347 1 1251 . 1 1 140 140 LEU HA H 1 5.677 0.000 . . . . . . A 140 LEU HA . 34347 1 1252 . 1 1 140 140 LEU HB2 H 1 1.768 0.000 . . . . . . A 140 LEU HB2 . 34347 1 1253 . 1 1 140 140 LEU HB3 H 1 1.768 0.000 . . . . . . A 140 LEU HB3 . 34347 1 1254 . 1 1 140 140 LEU HG H 1 1.364 0.000 . . . . . . A 140 LEU HG . 34347 1 1255 . 1 1 140 140 LEU HD21 H 1 0.811 0.000 . . . . . . A 140 LEU HD21 . 34347 1 1256 . 1 1 140 140 LEU HD22 H 1 0.811 0.000 . . . . . . A 140 LEU HD22 . 34347 1 1257 . 1 1 140 140 LEU HD23 H 1 0.811 0.000 . . . . . . A 140 LEU HD23 . 34347 1 1258 . 1 1 140 140 LEU C C 13 176.622 0.000 . . . . . . A 140 LEU C . 34347 1 1259 . 1 1 140 140 LEU CA C 13 52.490 0.224 . . . . . . A 140 LEU CA . 34347 1 1260 . 1 1 140 140 LEU CB C 13 46.573 0.000 . . . . . . A 140 LEU CB . 34347 1 1261 . 1 1 140 140 LEU CG C 13 27.400 0.000 . . . . . . A 140 LEU CG . 34347 1 1262 . 1 1 140 140 LEU CD1 C 13 24.000 0.000 . . . . . . A 140 LEU CD1 . 34347 1 1263 . 1 1 140 140 LEU CD2 C 13 24.000 0.000 . . . . . . A 140 LEU CD2 . 34347 1 1264 . 1 1 140 140 LEU N N 15 116.711 0.105 . . . . . . A 140 LEU N . 34347 1 1265 . 1 1 141 141 ALA H H 1 8.578 0.004 . . . . . . A 141 ALA H . 34347 1 1266 . 1 1 141 141 ALA HA H 1 4.817 0.000 . . . . . . A 141 ALA HA . 34347 1 1267 . 1 1 141 141 ALA HB1 H 1 1.241 0.000 . . . . . . A 141 ALA HB1 . 34347 1 1268 . 1 1 141 141 ALA HB2 H 1 1.241 0.000 . . . . . . A 141 ALA HB2 . 34347 1 1269 . 1 1 141 141 ALA HB3 H 1 1.241 0.000 . . . . . . A 141 ALA HB3 . 34347 1 1270 . 1 1 141 141 ALA CA C 13 50.338 0.027 . . . . . . A 141 ALA CA . 34347 1 1271 . 1 1 141 141 ALA CB C 13 21.477 0.014 . . . . . . A 141 ALA CB . 34347 1 1272 . 1 1 141 141 ALA N N 15 125.508 0.058 . . . . . . A 141 ALA N . 34347 1 1273 . 1 1 142 142 VAL H H 1 6.964 0.034 . . . . . . A 142 VAL H . 34347 1 1274 . 1 1 142 142 VAL HA H 1 4.724 0.051 . . . . . . A 142 VAL HA . 34347 1 1275 . 1 1 142 142 VAL CA C 13 59.387 0.208 . . . . . . A 142 VAL CA . 34347 1 1276 . 1 1 142 142 VAL N N 15 124.542 0.218 . . . . . . A 142 VAL N . 34347 1 1277 . 1 1 143 143 LEU H H 1 8.529 0.000 . . . . . . A 143 LEU H . 34347 1 1278 . 1 1 143 143 LEU CA C 13 53.268 0.000 . . . . . . A 143 LEU CA . 34347 1 1279 . 1 1 143 143 LEU N N 15 130.272 0.000 . . . . . . A 143 LEU N . 34347 1 1280 . 1 1 144 144 GLY H H 1 9.948 0.026 . . . . . . A 144 GLY H . 34347 1 1281 . 1 1 144 144 GLY CA C 13 43.373 0.093 . . . . . . A 144 GLY CA . 34347 1 1282 . 1 1 144 144 GLY N N 15 113.708 0.066 . . . . . . A 144 GLY N . 34347 1 1283 . 1 1 145 145 ILE H H 1 9.194 0.000 . . . . . . A 145 ILE H . 34347 1 1284 . 1 1 145 145 ILE CA C 13 59.020 0.000 . . . . . . A 145 ILE CA . 34347 1 1285 . 1 1 145 145 ILE N N 15 126.398 0.000 . . . . . . A 145 ILE N . 34347 1 1286 . 1 1 146 146 PHE H H 1 9.649 0.020 . . . . . . A 146 PHE H . 34347 1 1287 . 1 1 146 146 PHE HA H 1 5.154 0.000 . . . . . . A 146 PHE HA . 34347 1 1288 . 1 1 146 146 PHE HB2 H 1 2.081 0.000 . . . . . . A 146 PHE HB2 . 34347 1 1289 . 1 1 146 146 PHE HB3 H 1 2.081 0.000 . . . . . . A 146 PHE HB3 . 34347 1 1290 . 1 1 146 146 PHE C C 13 173.763 0.000 . . . . . . A 146 PHE C . 34347 1 1291 . 1 1 146 146 PHE CA C 13 60.466 0.040 . . . . . . A 146 PHE CA . 34347 1 1292 . 1 1 146 146 PHE CB C 13 32.866 0.000 . . . . . . A 146 PHE CB . 34347 1 1293 . 1 1 146 146 PHE N N 15 127.967 0.129 . . . . . . A 146 PHE N . 34347 1 1294 . 1 1 147 147 LEU H H 1 8.438 0.052 . . . . . . A 147 LEU H . 34347 1 1295 . 1 1 147 147 LEU HA H 1 4.289 0.000 . . . . . . A 147 LEU HA . 34347 1 1296 . 1 1 147 147 LEU HB2 H 1 1.970 0.000 . . . . . . A 147 LEU HB2 . 34347 1 1297 . 1 1 147 147 LEU HB3 H 1 1.970 0.000 . . . . . . A 147 LEU HB3 . 34347 1 1298 . 1 1 147 147 LEU HG H 1 1.603 0.000 . . . . . . A 147 LEU HG . 34347 1 1299 . 1 1 147 147 LEU HD21 H 1 0.923 0.000 . . . . . . A 147 LEU HD21 . 34347 1 1300 . 1 1 147 147 LEU HD22 H 1 0.923 0.000 . . . . . . A 147 LEU HD22 . 34347 1 1301 . 1 1 147 147 LEU HD23 H 1 0.923 0.000 . . . . . . A 147 LEU HD23 . 34347 1 1302 . 1 1 147 147 LEU C C 13 174.820 0.089 . . . . . . A 147 LEU C . 34347 1 1303 . 1 1 147 147 LEU CA C 13 59.820 0.223 . . . . . . A 147 LEU CA . 34347 1 1304 . 1 1 147 147 LEU CB C 13 29.656 0.000 . . . . . . A 147 LEU CB . 34347 1 1305 . 1 1 147 147 LEU CG C 13 29.700 0.000 . . . . . . A 147 LEU CG . 34347 1 1306 . 1 1 147 147 LEU CD1 C 13 26.700 0.000 . . . . . . A 147 LEU CD1 . 34347 1 1307 . 1 1 147 147 LEU CD2 C 13 23.400 0.000 . . . . . . A 147 LEU CD2 . 34347 1 1308 . 1 1 147 147 LEU N N 15 119.603 0.085 . . . . . . A 147 LEU N . 34347 1 1309 . 1 1 148 148 LYS H H 1 9.036 0.037 . . . . . . A 148 LYS H . 34347 1 1310 . 1 1 148 148 LYS HA H 1 4.794 0.173 . . . . . . A 148 LYS HA . 34347 1 1311 . 1 1 148 148 LYS HB2 H 1 1.860 0.000 . . . . . . A 148 LYS HB2 . 34347 1 1312 . 1 1 148 148 LYS HB3 H 1 1.860 0.000 . . . . . . A 148 LYS HB3 . 34347 1 1313 . 1 1 148 148 LYS HG2 H 1 1.236 0.000 . . . . . . A 148 LYS HG2 . 34347 1 1314 . 1 1 148 148 LYS HG3 H 1 1.236 0.000 . . . . . . A 148 LYS HG3 . 34347 1 1315 . 1 1 148 148 LYS HD2 H 1 1.529 0.000 . . . . . . A 148 LYS HD2 . 34347 1 1316 . 1 1 148 148 LYS HD3 H 1 1.529 0.000 . . . . . . A 148 LYS HD3 . 34347 1 1317 . 1 1 148 148 LYS C C 13 174.175 0.032 . . . . . . A 148 LYS C . 34347 1 1318 . 1 1 148 148 LYS CA C 13 51.031 0.671 . . . . . . A 148 LYS CA . 34347 1 1319 . 1 1 148 148 LYS CB C 13 36.022 0.000 . . . . . . A 148 LYS CB . 34347 1 1320 . 1 1 148 148 LYS CG C 13 23.200 0.000 . . . . . . A 148 LYS CG . 34347 1 1321 . 1 1 148 148 LYS CD C 13 29.100 0.000 . . . . . . A 148 LYS CD . 34347 1 1322 . 1 1 148 148 LYS CE C 13 41.500 0.000 . . . . . . A 148 LYS CE . 34347 1 1323 . 1 1 148 148 LYS N N 15 119.086 0.228 . . . . . . A 148 LYS N . 34347 1 1324 . 1 1 149 149 VAL H H 1 8.561 0.049 . . . . . . A 149 VAL H . 34347 1 1325 . 1 1 149 149 VAL HA H 1 4.667 0.014 . . . . . . A 149 VAL HA . 34347 1 1326 . 1 1 149 149 VAL HB H 1 1.933 0.000 . . . . . . A 149 VAL HB . 34347 1 1327 . 1 1 149 149 VAL HG21 H 1 0.388 0.000 . . . . . . A 149 VAL HG21 . 34347 1 1328 . 1 1 149 149 VAL HG22 H 1 0.388 0.000 . . . . . . A 149 VAL HG22 . 34347 1 1329 . 1 1 149 149 VAL HG23 H 1 0.388 0.000 . . . . . . A 149 VAL HG23 . 34347 1 1330 . 1 1 149 149 VAL C C 13 177.305 0.278 . . . . . . A 149 VAL C . 34347 1 1331 . 1 1 149 149 VAL CA C 13 62.107 0.054 . . . . . . A 149 VAL CA . 34347 1 1332 . 1 1 149 149 VAL CB C 13 30.500 0.000 . . . . . . A 149 VAL CB . 34347 1 1333 . 1 1 149 149 VAL CG1 C 13 20.400 0.000 . . . . . . A 149 VAL CG1 . 34347 1 1334 . 1 1 149 149 VAL CG2 C 13 20.400 0.000 . . . . . . A 149 VAL CG2 . 34347 1 1335 . 1 1 149 149 VAL N N 15 121.842 0.186 . . . . . . A 149 VAL N . 34347 1 1336 . 1 1 150 150 GLY H H 1 9.321 0.038 . . . . . . A 150 GLY H . 34347 1 1337 . 1 1 150 150 GLY HA2 H 1 3.844 0.000 . . . . . . A 150 GLY HA2 . 34347 1 1338 . 1 1 150 150 GLY HA3 H 1 3.876 0.046 . . . . . . A 150 GLY HA3 . 34347 1 1339 . 1 1 150 150 GLY C C 13 172.619 0.194 . . . . . . A 150 GLY C . 34347 1 1340 . 1 1 150 150 GLY CA C 13 46.796 0.195 . . . . . . A 150 GLY CA . 34347 1 1341 . 1 1 150 150 GLY N N 15 118.294 0.112 . . . . . . A 150 GLY N . 34347 1 1342 . 1 1 151 151 SER H H 1 8.666 0.086 . . . . . . A 151 SER H . 34347 1 1343 . 1 1 151 151 SER HA H 1 4.317 0.014 . . . . . . A 151 SER HA . 34347 1 1344 . 1 1 151 151 SER HB2 H 1 3.829 0.000 . . . . . . A 151 SER HB2 . 34347 1 1345 . 1 1 151 151 SER HB3 H 1 3.829 0.000 . . . . . . A 151 SER HB3 . 34347 1 1346 . 1 1 151 151 SER C C 13 172.358 0.000 . . . . . . A 151 SER C . 34347 1 1347 . 1 1 151 151 SER CA C 13 58.092 0.136 . . . . . . A 151 SER CA . 34347 1 1348 . 1 1 151 151 SER CB C 13 63.543 0.000 . . . . . . A 151 SER CB . 34347 1 1349 . 1 1 151 151 SER N N 15 126.783 0.214 . . . . . . A 151 SER N . 34347 1 1350 . 1 1 152 152 ALA H H 1 8.360 0.030 . . . . . . A 152 ALA H . 34347 1 1351 . 1 1 152 152 ALA HA H 1 4.029 0.035 . . . . . . A 152 ALA HA . 34347 1 1352 . 1 1 152 152 ALA HB1 H 1 1.236 0.000 . . . . . . A 152 ALA HB1 . 34347 1 1353 . 1 1 152 152 ALA HB2 H 1 1.236 0.000 . . . . . . A 152 ALA HB2 . 34347 1 1354 . 1 1 152 152 ALA HB3 H 1 1.236 0.000 . . . . . . A 152 ALA HB3 . 34347 1 1355 . 1 1 152 152 ALA C C 13 177.300 0.000 . . . . . . A 152 ALA C . 34347 1 1356 . 1 1 152 152 ALA CA C 13 51.728 0.116 . . . . . . A 152 ALA CA . 34347 1 1357 . 1 1 152 152 ALA CB C 13 18.978 0.000 . . . . . . A 152 ALA CB . 34347 1 1358 . 1 1 152 152 ALA N N 15 119.532 0.238 . . . . . . A 152 ALA N . 34347 1 1359 . 1 1 153 153 LYS H H 1 8.587 0.023 . . . . . . A 153 LYS H . 34347 1 1360 . 1 1 153 153 LYS HA H 1 4.630 0.117 . . . . . . A 153 LYS HA . 34347 1 1361 . 1 1 153 153 LYS HB2 H 1 2.099 0.000 . . . . . . A 153 LYS HB2 . 34347 1 1362 . 1 1 153 153 LYS HB3 H 1 2.099 0.000 . . . . . . A 153 LYS HB3 . 34347 1 1363 . 1 1 153 153 LYS HG2 H 1 1.345 0.000 . . . . . . A 153 LYS HG2 . 34347 1 1364 . 1 1 153 153 LYS HG3 H 1 1.345 0.000 . . . . . . A 153 LYS HG3 . 34347 1 1365 . 1 1 153 153 LYS HD2 H 1 1.644 0.000 . . . . . . A 153 LYS HD2 . 34347 1 1366 . 1 1 153 153 LYS HD3 H 1 1.644 0.000 . . . . . . A 153 LYS HD3 . 34347 1 1367 . 1 1 153 153 LYS HE2 H 1 2.962 0.000 . . . . . . A 153 LYS HE2 . 34347 1 1368 . 1 1 153 153 LYS HE3 H 1 2.962 0.000 . . . . . . A 153 LYS HE3 . 34347 1 1369 . 1 1 153 153 LYS C C 13 175.201 0.000 . . . . . . A 153 LYS C . 34347 1 1370 . 1 1 153 153 LYS CA C 13 51.443 0.084 . . . . . . A 153 LYS CA . 34347 1 1371 . 1 1 153 153 LYS CB C 13 31.800 0.000 . . . . . . A 153 LYS CB . 34347 1 1372 . 1 1 153 153 LYS CG C 13 23.600 0.000 . . . . . . A 153 LYS CG . 34347 1 1373 . 1 1 153 153 LYS CD C 13 58.400 0.000 . . . . . . A 153 LYS CD . 34347 1 1374 . 1 1 153 153 LYS N N 15 122.501 0.122 . . . . . . A 153 LYS N . 34347 1 1375 . 1 1 155 155 GLY H H 1 8.514 0.044 . . . . . . A 155 GLY H . 34347 1 1376 . 1 1 155 155 GLY C C 13 171.572 0.000 . . . . . . A 155 GLY C . 34347 1 1377 . 1 1 155 155 GLY CA C 13 45.298 0.186 . . . . . . A 155 GLY CA . 34347 1 1378 . 1 1 155 155 GLY N N 15 104.640 0.221 . . . . . . A 155 GLY N . 34347 1 1379 . 1 1 156 156 LEU H H 1 7.300 0.040 . . . . . . A 156 LEU H . 34347 1 1380 . 1 1 156 156 LEU HA H 1 4.591 0.000 . . . . . . A 156 LEU HA . 34347 1 1381 . 1 1 156 156 LEU HB2 H 1 1.952 0.000 . . . . . . A 156 LEU HB2 . 34347 1 1382 . 1 1 156 156 LEU HB3 H 1 1.952 0.000 . . . . . . A 156 LEU HB3 . 34347 1 1383 . 1 1 156 156 LEU HG H 1 1.290 0.000 . . . . . . A 156 LEU HG . 34347 1 1384 . 1 1 156 156 LEU HD21 H 1 0.848 0.000 . . . . . . A 156 LEU HD21 . 34347 1 1385 . 1 1 156 156 LEU HD22 H 1 0.848 0.000 . . . . . . A 156 LEU HD22 . 34347 1 1386 . 1 1 156 156 LEU HD23 H 1 0.848 0.000 . . . . . . A 156 LEU HD23 . 34347 1 1387 . 1 1 156 156 LEU C C 13 177.753 0.000 . . . . . . A 156 LEU C . 34347 1 1388 . 1 1 156 156 LEU CA C 13 53.239 0.240 . . . . . . A 156 LEU CA . 34347 1 1389 . 1 1 156 156 LEU CB C 13 37.350 0.000 . . . . . . A 156 LEU CB . 34347 1 1390 . 1 1 156 156 LEU CG C 13 26.400 0.000 . . . . . . A 156 LEU CG . 34347 1 1391 . 1 1 156 156 LEU CD1 C 13 24.800 0.000 . . . . . . A 156 LEU CD1 . 34347 1 1392 . 1 1 156 156 LEU CD2 C 13 23.300 0.000 . . . . . . A 156 LEU CD2 . 34347 1 1393 . 1 1 156 156 LEU N N 15 116.349 0.067 . . . . . . A 156 LEU N . 34347 1 1394 . 1 1 157 157 GLN H H 1 7.818 0.030 . . . . . . A 157 GLN H . 34347 1 1395 . 1 1 157 157 GLN HA H 1 3.738 0.005 . . . . . . A 157 GLN HA . 34347 1 1396 . 1 1 157 157 GLN HB2 H 1 1.996 0.000 . . . . . . A 157 GLN HB2 . 34347 1 1397 . 1 1 157 157 GLN HB3 H 1 1.996 0.000 . . . . . . A 157 GLN HB3 . 34347 1 1398 . 1 1 157 157 GLN C C 13 176.457 0.052 . . . . . . A 157 GLN C . 34347 1 1399 . 1 1 157 157 GLN CA C 13 58.641 0.239 . . . . . . A 157 GLN CA . 34347 1 1400 . 1 1 157 157 GLN CB C 13 26.504 0.000 . . . . . . A 157 GLN CB . 34347 1 1401 . 1 1 157 157 GLN CG C 13 32.300 0.000 . . . . . . A 157 GLN CG . 34347 1 1402 . 1 1 157 157 GLN N N 15 121.997 0.037 . . . . . . A 157 GLN N . 34347 1 1403 . 1 1 158 158 LYS H H 1 8.717 0.020 . . . . . . A 158 LYS H . 34347 1 1404 . 1 1 158 158 LYS HA H 1 4.326 0.170 . . . . . . A 158 LYS HA . 34347 1 1405 . 1 1 158 158 LYS HB2 H 1 2.191 0.000 . . . . . . A 158 LYS HB2 . 34347 1 1406 . 1 1 158 158 LYS HB3 H 1 2.191 0.000 . . . . . . A 158 LYS HB3 . 34347 1 1407 . 1 1 158 158 LYS HG2 H 1 1.676 0.000 . . . . . . A 158 LYS HG2 . 34347 1 1408 . 1 1 158 158 LYS HG3 H 1 1.676 0.000 . . . . . . A 158 LYS HG3 . 34347 1 1409 . 1 1 158 158 LYS HD2 H 1 1.419 0.000 . . . . . . A 158 LYS HD2 . 34347 1 1410 . 1 1 158 158 LYS HD3 H 1 1.419 0.000 . . . . . . A 158 LYS HD3 . 34347 1 1411 . 1 1 158 158 LYS HE2 H 1 2.925 0.000 . . . . . . A 158 LYS HE2 . 34347 1 1412 . 1 1 158 158 LYS HE3 H 1 2.925 0.000 . . . . . . A 158 LYS HE3 . 34347 1 1413 . 1 1 158 158 LYS C C 13 179.496 0.000 . . . . . . A 158 LYS C . 34347 1 1414 . 1 1 158 158 LYS CA C 13 57.978 0.018 . . . . . . A 158 LYS CA . 34347 1 1415 . 1 1 158 158 LYS CB C 13 32.700 0.000 . . . . . . A 158 LYS CB . 34347 1 1416 . 1 1 158 158 LYS CG C 13 24.900 0.000 . . . . . . A 158 LYS CG . 34347 1 1417 . 1 1 158 158 LYS CD C 13 28.300 0.000 . . . . . . A 158 LYS CD . 34347 1 1418 . 1 1 158 158 LYS CE C 13 41.400 0.000 . . . . . . A 158 LYS CE . 34347 1 1419 . 1 1 158 158 LYS N N 15 115.622 0.000 . . . . . . A 158 LYS N . 34347 1 1420 . 1 1 159 159 VAL H H 1 7.183 0.012 . . . . . . A 159 VAL H . 34347 1 1421 . 1 1 159 159 VAL HA H 1 3.230 0.200 . . . . . . A 159 VAL HA . 34347 1 1422 . 1 1 159 159 VAL HB H 1 2.339 0.000 . . . . . . A 159 VAL HB . 34347 1 1423 . 1 1 159 159 VAL HG21 H 1 0.848 0.000 . . . . . . A 159 VAL HG21 . 34347 1 1424 . 1 1 159 159 VAL HG22 H 1 0.848 0.000 . . . . . . A 159 VAL HG22 . 34347 1 1425 . 1 1 159 159 VAL HG23 H 1 0.848 0.000 . . . . . . A 159 VAL HG23 . 34347 1 1426 . 1 1 159 159 VAL C C 13 175.919 0.083 . . . . . . A 159 VAL C . 34347 1 1427 . 1 1 159 159 VAL CA C 13 63.950 0.131 . . . . . . A 159 VAL CA . 34347 1 1428 . 1 1 159 159 VAL CB C 13 31.100 0.000 . . . . . . A 159 VAL CB . 34347 1 1429 . 1 1 159 159 VAL CG1 C 13 21.700 0.000 . . . . . . A 159 VAL CG1 . 34347 1 1430 . 1 1 159 159 VAL CG2 C 13 21.700 0.000 . . . . . . A 159 VAL CG2 . 34347 1 1431 . 1 1 159 159 VAL N N 15 114.139 0.138 . . . . . . A 159 VAL N . 34347 1 1432 . 1 1 160 160 VAL H H 1 7.238 0.041 . . . . . . A 160 VAL H . 34347 1 1433 . 1 1 160 160 VAL HA H 1 3.609 0.368 . . . . . . A 160 VAL HA . 34347 1 1434 . 1 1 160 160 VAL HB H 1 2.007 0.000 . . . . . . A 160 VAL HB . 34347 1 1435 . 1 1 160 160 VAL HG21 H 1 0.866 0.000 . . . . . . A 160 VAL HG21 . 34347 1 1436 . 1 1 160 160 VAL HG22 H 1 0.866 0.000 . . . . . . A 160 VAL HG22 . 34347 1 1437 . 1 1 160 160 VAL HG23 H 1 0.866 0.000 . . . . . . A 160 VAL HG23 . 34347 1 1438 . 1 1 160 160 VAL C C 13 177.297 0.036 . . . . . . A 160 VAL C . 34347 1 1439 . 1 1 160 160 VAL CA C 13 64.095 0.214 . . . . . . A 160 VAL CA . 34347 1 1440 . 1 1 160 160 VAL CB C 13 30.488 0.000 . . . . . . A 160 VAL CB . 34347 1 1441 . 1 1 160 160 VAL CG1 C 13 21.400 0.000 . . . . . . A 160 VAL CG1 . 34347 1 1442 . 1 1 160 160 VAL CG2 C 13 21.400 0.000 . . . . . . A 160 VAL CG2 . 34347 1 1443 . 1 1 160 160 VAL N N 15 114.137 0.055 . . . . . . A 160 VAL N . 34347 1 1444 . 1 1 161 161 ASP H H 1 8.261 0.099 . . . . . . A 161 ASP H . 34347 1 1445 . 1 1 161 161 ASP HA H 1 4.359 0.039 . . . . . . A 161 ASP HA . 34347 1 1446 . 1 1 161 161 ASP HB2 H 1 2.670 0.000 . . . . . . A 161 ASP HB2 . 34347 1 1447 . 1 1 161 161 ASP HB3 H 1 2.670 0.000 . . . . . . A 161 ASP HB3 . 34347 1 1448 . 1 1 161 161 ASP C C 13 176.867 0.037 . . . . . . A 161 ASP C . 34347 1 1449 . 1 1 161 161 ASP CA C 13 56.457 0.256 . . . . . . A 161 ASP CA . 34347 1 1450 . 1 1 161 161 ASP CB C 13 40.818 0.000 . . . . . . A 161 ASP CB . 34347 1 1451 . 1 1 161 161 ASP N N 15 117.120 0.186 . . . . . . A 161 ASP N . 34347 1 1452 . 1 1 162 162 VAL H H 1 7.085 0.077 . . . . . . A 162 VAL H . 34347 1 1453 . 1 1 162 162 VAL HA H 1 3.294 0.000 . . . . . . A 162 VAL HA . 34347 1 1454 . 1 1 162 162 VAL HB H 1 2.055 0.000 . . . . . . A 162 VAL HB . 34347 1 1455 . 1 1 162 162 VAL HG21 H 1 0.905 0.000 . . . . . . A 162 VAL HG21 . 34347 1 1456 . 1 1 162 162 VAL HG22 H 1 0.905 0.000 . . . . . . A 162 VAL HG22 . 34347 1 1457 . 1 1 162 162 VAL HG23 H 1 0.905 0.000 . . . . . . A 162 VAL HG23 . 34347 1 1458 . 1 1 162 162 VAL C C 13 176.880 0.000 . . . . . . A 162 VAL C . 34347 1 1459 . 1 1 162 162 VAL CA C 13 64.090 0.201 . . . . . . A 162 VAL CA . 34347 1 1460 . 1 1 162 162 VAL CB C 13 30.709 0.000 . . . . . . A 162 VAL CB . 34347 1 1461 . 1 1 162 162 VAL CG1 C 13 20.400 0.000 . . . . . . A 162 VAL CG1 . 34347 1 1462 . 1 1 162 162 VAL CG2 C 13 20.400 0.000 . . . . . . A 162 VAL CG2 . 34347 1 1463 . 1 1 162 162 VAL N N 15 113.661 0.077 . . . . . . A 162 VAL N . 34347 1 1464 . 1 1 163 163 LEU H H 1 7.009 0.026 . . . . . . A 163 LEU H . 34347 1 1465 . 1 1 163 163 LEU HA H 1 3.432 0.111 . . . . . . A 163 LEU HA . 34347 1 1466 . 1 1 163 163 LEU HB2 H 1 1.823 0.000 . . . . . . A 163 LEU HB2 . 34347 1 1467 . 1 1 163 163 LEU HB3 H 1 1.823 0.000 . . . . . . A 163 LEU HB3 . 34347 1 1468 . 1 1 163 163 LEU HG H 1 1.621 0.000 . . . . . . A 163 LEU HG . 34347 1 1469 . 1 1 163 163 LEU HD21 H 1 -0.532 0.000 . . . . . . A 163 LEU HD21 . 34347 1 1470 . 1 1 163 163 LEU HD22 H 1 -0.532 0.000 . . . . . . A 163 LEU HD22 . 34347 1 1471 . 1 1 163 163 LEU HD23 H 1 -0.532 0.000 . . . . . . A 163 LEU HD23 . 34347 1 1472 . 1 1 163 163 LEU C C 13 178.283 0.000 . . . . . . A 163 LEU C . 34347 1 1473 . 1 1 163 163 LEU CA C 13 56.853 0.321 . . . . . . A 163 LEU CA . 34347 1 1474 . 1 1 163 163 LEU CB C 13 39.100 0.000 . . . . . . A 163 LEU CB . 34347 1 1475 . 1 1 163 163 LEU CG C 13 24.107 0.026 . . . . . . A 163 LEU CG . 34347 1 1476 . 1 1 163 163 LEU CD1 C 13 19.500 0.000 . . . . . . A 163 LEU CD1 . 34347 1 1477 . 1 1 163 163 LEU CD2 C 13 19.500 0.000 . . . . . . A 163 LEU CD2 . 34347 1 1478 . 1 1 163 163 LEU N N 15 120.434 0.116 . . . . . . A 163 LEU N . 34347 1 1479 . 1 1 164 164 ASP H H 1 7.936 0.021 . . . . . . A 164 ASP H . 34347 1 1480 . 1 1 164 164 ASP HA H 1 4.591 0.232 . . . . . . A 164 ASP HA . 34347 1 1481 . 1 1 164 164 ASP HB2 H 1 2.503 0.000 . . . . . . A 164 ASP HB2 . 34347 1 1482 . 1 1 164 164 ASP HB3 H 1 2.503 0.000 . . . . . . A 164 ASP HB3 . 34347 1 1483 . 1 1 164 164 ASP C C 13 177.653 0.000 . . . . . . A 164 ASP C . 34347 1 1484 . 1 1 164 164 ASP CA C 13 56.088 0.229 . . . . . . A 164 ASP CA . 34347 1 1485 . 1 1 164 164 ASP CB C 13 40.080 0.000 . . . . . . A 164 ASP CB . 34347 1 1486 . 1 1 164 164 ASP N N 15 115.548 0.153 . . . . . . A 164 ASP N . 34347 1 1487 . 1 1 165 165 SER H H 1 8.040 0.023 . . . . . . A 165 SER H . 34347 1 1488 . 1 1 165 165 SER HA H 1 4.451 0.000 . . . . . . A 165 SER HA . 34347 1 1489 . 1 1 165 165 SER HB2 H 1 3.917 0.000 . . . . . . A 165 SER HB2 . 34347 1 1490 . 1 1 165 165 SER HB3 H 1 3.917 0.000 . . . . . . A 165 SER HB3 . 34347 1 1491 . 1 1 165 165 SER C C 13 174.333 0.067 . . . . . . A 165 SER C . 34347 1 1492 . 1 1 165 165 SER CA C 13 59.441 0.242 . . . . . . A 165 SER CA . 34347 1 1493 . 1 1 165 165 SER CB C 13 63.839 0.000 . . . . . . A 165 SER CB . 34347 1 1494 . 1 1 165 165 SER N N 15 113.257 0.155 . . . . . . A 165 SER N . 34347 1 1495 . 1 1 166 166 ILE H H 1 7.372 0.029 . . . . . . A 166 ILE H . 34347 1 1496 . 1 1 166 166 ILE HA H 1 4.712 0.000 . . . . . . A 166 ILE HA . 34347 1 1497 . 1 1 166 166 ILE HB H 1 1.842 0.000 . . . . . . A 166 ILE HB . 34347 1 1498 . 1 1 166 166 ILE HG21 H 1 1.474 0.000 . . . . . . A 166 ILE HG21 . 34347 1 1499 . 1 1 166 166 ILE HG22 H 1 1.474 0.000 . . . . . . A 166 ILE HG22 . 34347 1 1500 . 1 1 166 166 ILE HG23 H 1 1.474 0.000 . . . . . . A 166 ILE HG23 . 34347 1 1501 . 1 1 166 166 ILE HD11 H 1 0.443 0.000 . . . . . . A 166 ILE HD11 . 34347 1 1502 . 1 1 166 166 ILE HD12 H 1 0.443 0.000 . . . . . . A 166 ILE HD12 . 34347 1 1503 . 1 1 166 166 ILE HD13 H 1 0.443 0.000 . . . . . . A 166 ILE HD13 . 34347 1 1504 . 1 1 166 166 ILE C C 13 174.570 0.086 . . . . . . A 166 ILE C . 34347 1 1505 . 1 1 166 166 ILE CA C 13 59.487 0.165 . . . . . . A 166 ILE CA . 34347 1 1506 . 1 1 166 166 ILE CB C 13 37.300 0.000 . . . . . . A 166 ILE CB . 34347 1 1507 . 1 1 166 166 ILE CG2 C 13 17.600 0.000 . . . . . . A 166 ILE CG2 . 34347 1 1508 . 1 1 166 166 ILE CD1 C 13 15.700 0.000 . . . . . . A 166 ILE CD1 . 34347 1 1509 . 1 1 166 166 ILE N N 15 115.857 0.378 . . . . . . A 166 ILE N . 34347 1 1510 . 1 1 167 167 LYS H H 1 7.460 0.085 . . . . . . A 167 LYS H . 34347 1 1511 . 1 1 167 167 LYS HA H 1 3.828 0.015 . . . . . . A 167 LYS HA . 34347 1 1512 . 1 1 167 167 LYS HB2 H 1 1.805 0.000 . . . . . . A 167 LYS HB2 . 34347 1 1513 . 1 1 167 167 LYS HB3 H 1 1.805 0.000 . . . . . . A 167 LYS HB3 . 34347 1 1514 . 1 1 167 167 LYS HG2 H 1 1.364 0.000 . . . . . . A 167 LYS HG2 . 34347 1 1515 . 1 1 167 167 LYS HG3 H 1 1.364 0.000 . . . . . . A 167 LYS HG3 . 34347 1 1516 . 1 1 167 167 LYS HD2 H 1 1.493 0.000 . . . . . . A 167 LYS HD2 . 34347 1 1517 . 1 1 167 167 LYS HD3 H 1 1.493 0.000 . . . . . . A 167 LYS HD3 . 34347 1 1518 . 1 1 167 167 LYS HE2 H 1 3.017 0.000 . . . . . . A 167 LYS HE2 . 34347 1 1519 . 1 1 167 167 LYS HE3 H 1 3.017 0.000 . . . . . . A 167 LYS HE3 . 34347 1 1520 . 1 1 167 167 LYS C C 13 175.500 0.000 . . . . . . A 167 LYS C . 34347 1 1521 . 1 1 167 167 LYS CA C 13 60.160 0.255 . . . . . . A 167 LYS CA . 34347 1 1522 . 1 1 167 167 LYS CB C 13 32.900 0.000 . . . . . . A 167 LYS CB . 34347 1 1523 . 1 1 167 167 LYS CG C 13 24.100 0.000 . . . . . . A 167 LYS CG . 34347 1 1524 . 1 1 167 167 LYS CD C 13 28.600 0.000 . . . . . . A 167 LYS CD . 34347 1 1525 . 1 1 167 167 LYS CE C 13 41.400 0.000 . . . . . . A 167 LYS CE . 34347 1 1526 . 1 1 167 167 LYS N N 15 117.111 0.151 . . . . . . A 167 LYS N . 34347 1 1527 . 1 1 168 168 THR H H 1 6.608 0.033 . . . . . . A 168 THR H . 34347 1 1528 . 1 1 168 168 THR HA H 1 4.599 0.068 . . . . . . A 168 THR HA . 34347 1 1529 . 1 1 168 168 THR HB H 1 3.921 0.000 . . . . . . A 168 THR HB . 34347 1 1530 . 1 1 168 168 THR HG21 H 1 0.995 0.000 . . . . . . A 168 THR HG21 . 34347 1 1531 . 1 1 168 168 THR HG22 H 1 0.995 0.000 . . . . . . A 168 THR HG22 . 34347 1 1532 . 1 1 168 168 THR HG23 H 1 0.995 0.000 . . . . . . A 168 THR HG23 . 34347 1 1533 . 1 1 168 168 THR C C 13 173.807 0.000 . . . . . . A 168 THR C . 34347 1 1534 . 1 1 168 168 THR CA C 13 58.020 0.381 . . . . . . A 168 THR CA . 34347 1 1535 . 1 1 168 168 THR CB C 13 71.291 0.000 . . . . . . A 168 THR CB . 34347 1 1536 . 1 1 168 168 THR CG2 C 13 21.800 0.000 . . . . . . A 168 THR CG2 . 34347 1 1537 . 1 1 168 168 THR N N 15 118.879 19.336 . . . . . . A 168 THR N . 34347 1 1538 . 1 1 169 169 LYS H H 1 7.444 0.036 . . . . . . A 169 LYS H . 34347 1 1539 . 1 1 169 169 LYS HA H 1 4.552 0.019 . . . . . . A 169 LYS HA . 34347 1 1540 . 1 1 169 169 LYS HB2 H 1 1.908 0.000 . . . . . . A 169 LYS HB2 . 34347 1 1541 . 1 1 169 169 LYS HB3 H 1 1.805 0.000 . . . . . . A 169 LYS HB3 . 34347 1 1542 . 1 1 169 169 LYS HG2 H 1 1.052 0.000 . . . . . . A 169 LYS HG2 . 34347 1 1543 . 1 1 169 169 LYS HG3 H 1 1.052 0.000 . . . . . . A 169 LYS HG3 . 34347 1 1544 . 1 1 169 169 LYS HD2 H 1 1.658 0.000 . . . . . . A 169 LYS HD2 . 34347 1 1545 . 1 1 169 169 LYS HD3 H 1 1.658 0.000 . . . . . . A 169 LYS HD3 . 34347 1 1546 . 1 1 169 169 LYS HE2 H 1 3.274 0.000 . . . . . . A 169 LYS HE2 . 34347 1 1547 . 1 1 169 169 LYS HE3 H 1 3.274 0.000 . . . . . . A 169 LYS HE3 . 34347 1 1548 . 1 1 169 169 LYS C C 13 177.673 0.210 . . . . . . A 169 LYS C . 34347 1 1549 . 1 1 169 169 LYS CA C 13 57.445 0.214 . . . . . . A 169 LYS CA . 34347 1 1550 . 1 1 169 169 LYS CB C 13 31.100 0.000 . . . . . . A 169 LYS CB . 34347 1 1551 . 1 1 169 169 LYS CG C 13 23.100 0.000 . . . . . . A 169 LYS CG . 34347 1 1552 . 1 1 169 169 LYS CD C 13 28.500 0.000 . . . . . . A 169 LYS CD . 34347 1 1553 . 1 1 169 169 LYS CE C 13 40.900 0.000 . . . . . . A 169 LYS CE . 34347 1 1554 . 1 1 169 169 LYS N N 15 120.305 0.154 . . . . . . A 169 LYS N . 34347 1 1555 . 1 1 170 170 GLY H H 1 9.157 0.048 . . . . . . A 170 GLY H . 34347 1 1556 . 1 1 170 170 GLY HA2 H 1 3.443 0.000 . . . . . . A 170 GLY HA2 . 34347 1 1557 . 1 1 170 170 GLY HA3 H 1 4.528 0.000 . . . . . . A 170 GLY HA3 . 34347 1 1558 . 1 1 170 170 GLY C C 13 175.389 0.215 . . . . . . A 170 GLY C . 34347 1 1559 . 1 1 170 170 GLY CA C 13 44.336 0.226 . . . . . . A 170 GLY CA . 34347 1 1560 . 1 1 170 170 GLY N N 15 117.191 0.159 . . . . . . A 170 GLY N . 34347 1 1561 . 1 1 171 171 LYS H H 1 7.870 0.029 . . . . . . A 171 LYS H . 34347 1 1562 . 1 1 171 171 LYS HA H 1 4.445 0.051 . . . . . . A 171 LYS HA . 34347 1 1563 . 1 1 171 171 LYS HB2 H 1 1.970 0.000 . . . . . . A 171 LYS HB2 . 34347 1 1564 . 1 1 171 171 LYS HB3 H 1 1.970 0.000 . . . . . . A 171 LYS HB3 . 34347 1 1565 . 1 1 171 171 LYS HG2 H 1 1.401 0.000 . . . . . . A 171 LYS HG2 . 34347 1 1566 . 1 1 171 171 LYS HG3 H 1 1.401 0.000 . . . . . . A 171 LYS HG3 . 34347 1 1567 . 1 1 171 171 LYS HD2 H 1 1.603 0.000 . . . . . . A 171 LYS HD2 . 34347 1 1568 . 1 1 171 171 LYS HD3 H 1 1.603 0.000 . . . . . . A 171 LYS HD3 . 34347 1 1569 . 1 1 171 171 LYS HE2 H 1 3.035 0.000 . . . . . . A 171 LYS HE2 . 34347 1 1570 . 1 1 171 171 LYS HE3 H 1 3.035 0.000 . . . . . . A 171 LYS HE3 . 34347 1 1571 . 1 1 171 171 LYS C C 13 176.669 0.000 . . . . . . A 171 LYS C . 34347 1 1572 . 1 1 171 171 LYS CA C 13 55.528 0.161 . . . . . . A 171 LYS CA . 34347 1 1573 . 1 1 171 171 LYS CB C 13 32.829 0.000 . . . . . . A 171 LYS CB . 34347 1 1574 . 1 1 171 171 LYS CG C 13 24.900 0.000 . . . . . . A 171 LYS CG . 34347 1 1575 . 1 1 171 171 LYS CD C 13 27.700 0.000 . . . . . . A 171 LYS CD . 34347 1 1576 . 1 1 171 171 LYS CE C 13 41.700 0.000 . . . . . . A 171 LYS CE . 34347 1 1577 . 1 1 171 171 LYS N N 15 120.268 0.318 . . . . . . A 171 LYS N . 34347 1 1578 . 1 1 172 172 SER H H 1 8.583 0.044 . . . . . . A 172 SER H . 34347 1 1579 . 1 1 172 172 SER HA H 1 4.510 0.000 . . . . . . A 172 SER HA . 34347 1 1580 . 1 1 172 172 SER HB2 H 1 3.664 0.000 . . . . . . A 172 SER HB2 . 34347 1 1581 . 1 1 172 172 SER HB3 H 1 3.664 0.000 . . . . . . A 172 SER HB3 . 34347 1 1582 . 1 1 172 172 SER C C 13 173.125 0.000 . . . . . . A 172 SER C . 34347 1 1583 . 1 1 172 172 SER CA C 13 55.671 0.314 . . . . . . A 172 SER CA . 34347 1 1584 . 1 1 172 172 SER CB C 13 67.528 0.000 . . . . . . A 172 SER CB . 34347 1 1585 . 1 1 172 172 SER N N 15 113.959 0.136 . . . . . . A 172 SER N . 34347 1 1586 . 1 1 173 173 ALA H H 1 8.894 0.050 . . . . . . A 173 ALA H . 34347 1 1587 . 1 1 173 173 ALA HA H 1 5.150 0.139 . . . . . . A 173 ALA HA . 34347 1 1588 . 1 1 173 173 ALA HB1 H 1 1.254 0.000 . . . . . . A 173 ALA HB1 . 34347 1 1589 . 1 1 173 173 ALA HB2 H 1 1.254 0.000 . . . . . . A 173 ALA HB2 . 34347 1 1590 . 1 1 173 173 ALA HB3 H 1 1.254 0.000 . . . . . . A 173 ALA HB3 . 34347 1 1591 . 1 1 173 173 ALA C C 13 175.924 0.132 . . . . . . A 173 ALA C . 34347 1 1592 . 1 1 173 173 ALA CA C 13 50.417 0.313 . . . . . . A 173 ALA CA . 34347 1 1593 . 1 1 173 173 ALA CB C 13 21.100 0.000 . . . . . . A 173 ALA CB . 34347 1 1594 . 1 1 173 173 ALA N N 15 121.802 0.268 . . . . . . A 173 ALA N . 34347 1 1595 . 1 1 174 174 ASP H H 1 8.778 0.067 . . . . . . A 174 ASP H . 34347 1 1596 . 1 1 174 174 ASP HA H 1 4.938 0.232 . . . . . . A 174 ASP HA . 34347 1 1597 . 1 1 174 174 ASP HB2 H 1 2.596 0.000 . . . . . . A 174 ASP HB2 . 34347 1 1598 . 1 1 174 174 ASP HB3 H 1 2.596 0.000 . . . . . . A 174 ASP HB3 . 34347 1 1599 . 1 1 174 174 ASP C C 13 175.216 0.041 . . . . . . A 174 ASP C . 34347 1 1600 . 1 1 174 174 ASP CA C 13 55.833 0.239 . . . . . . A 174 ASP CA . 34347 1 1601 . 1 1 174 174 ASP CB C 13 41.629 0.000 . . . . . . A 174 ASP CB . 34347 1 1602 . 1 1 174 174 ASP N N 15 121.095 0.189 . . . . . . A 174 ASP N . 34347 1 1603 . 1 1 175 175 PHE H H 1 7.967 0.028 . . . . . . A 175 PHE H . 34347 1 1604 . 1 1 175 175 PHE HA H 1 4.566 0.079 . . . . . . A 175 PHE HA . 34347 1 1605 . 1 1 175 175 PHE HB2 H 1 2.596 0.000 . . . . . . A 175 PHE HB2 . 34347 1 1606 . 1 1 175 175 PHE HB3 H 1 2.596 0.000 . . . . . . A 175 PHE HB3 . 34347 1 1607 . 1 1 175 175 PHE C C 13 173.394 0.000 . . . . . . A 175 PHE C . 34347 1 1608 . 1 1 175 175 PHE CA C 13 57.393 0.159 . . . . . . A 175 PHE CA . 34347 1 1609 . 1 1 175 175 PHE CB C 13 38.973 0.000 . . . . . . A 175 PHE CB . 34347 1 1610 . 1 1 175 175 PHE N N 15 125.632 0.240 . . . . . . A 175 PHE N . 34347 1 1611 . 1 1 176 176 THR H H 1 7.973 0.071 . . . . . . A 176 THR H . 34347 1 1612 . 1 1 176 176 THR HA H 1 4.748 0.000 . . . . . . A 176 THR HA . 34347 1 1613 . 1 1 176 176 THR HB H 1 4.252 0.000 . . . . . . A 176 THR HB . 34347 1 1614 . 1 1 176 176 THR HG21 H 1 1.180 0.000 . . . . . . A 176 THR HG21 . 34347 1 1615 . 1 1 176 176 THR HG22 H 1 1.180 0.000 . . . . . . A 176 THR HG22 . 34347 1 1616 . 1 1 176 176 THR HG23 H 1 1.180 0.000 . . . . . . A 176 THR HG23 . 34347 1 1617 . 1 1 176 176 THR C C 13 174.293 0.048 . . . . . . A 176 THR C . 34347 1 1618 . 1 1 176 176 THR CA C 13 59.445 0.179 . . . . . . A 176 THR CA . 34347 1 1619 . 1 1 176 176 THR CB C 13 71.734 0.000 . . . . . . A 176 THR CB . 34347 1 1620 . 1 1 176 176 THR CG2 C 13 21.200 0.000 . . . . . . A 176 THR CG2 . 34347 1 1621 . 1 1 176 176 THR N N 15 113.030 0.088 . . . . . . A 176 THR N . 34347 1 1622 . 1 1 177 177 ASN H H 1 10.116 0.042 . . . . . . A 177 ASN H . 34347 1 1623 . 1 1 177 177 ASN HA H 1 4.311 0.000 . . . . . . A 177 ASN HA . 34347 1 1624 . 1 1 177 177 ASN HB2 H 1 2.854 0.000 . . . . . . A 177 ASN HB2 . 34347 1 1625 . 1 1 177 177 ASN HB3 H 1 2.854 0.000 . . . . . . A 177 ASN HB3 . 34347 1 1626 . 1 1 177 177 ASN C C 13 173.594 0.000 . . . . . . A 177 ASN C . 34347 1 1627 . 1 1 177 177 ASN CA C 13 54.902 0.323 . . . . . . A 177 ASN CA . 34347 1 1628 . 1 1 177 177 ASN CB C 13 37.350 0.000 . . . . . . A 177 ASN CB . 34347 1 1629 . 1 1 177 177 ASN N N 15 113.463 0.139 . . . . . . A 177 ASN N . 34347 1 1630 . 1 1 178 178 PHE H H 1 8.334 0.042 . . . . . . A 178 PHE H . 34347 1 1631 . 1 1 178 178 PHE HA H 1 4.513 0.045 . . . . . . A 178 PHE HA . 34347 1 1632 . 1 1 178 178 PHE HB2 H 1 2.707 0.000 . . . . . . A 178 PHE HB2 . 34347 1 1633 . 1 1 178 178 PHE HB3 H 1 2.707 0.000 . . . . . . A 178 PHE HB3 . 34347 1 1634 . 1 1 178 178 PHE C C 13 174.039 0.207 . . . . . . A 178 PHE C . 34347 1 1635 . 1 1 178 178 PHE CA C 13 57.751 0.174 . . . . . . A 178 PHE CA . 34347 1 1636 . 1 1 178 178 PHE CB C 13 40.300 0.000 . . . . . . A 178 PHE CB . 34347 1 1637 . 1 1 178 178 PHE N N 15 118.727 0.095 . . . . . . A 178 PHE N . 34347 1 1638 . 1 1 179 179 ASP H H 1 8.157 0.079 . . . . . . A 179 ASP H . 34347 1 1639 . 1 1 179 179 ASP HA H 1 4.937 0.014 . . . . . . A 179 ASP HA . 34347 1 1640 . 1 1 179 179 ASP HB2 H 1 2.651 0.000 . . . . . . A 179 ASP HB2 . 34347 1 1641 . 1 1 179 179 ASP HB3 H 1 2.651 0.000 . . . . . . A 179 ASP HB3 . 34347 1 1642 . 1 1 179 179 ASP C C 13 175.257 0.000 . . . . . . A 179 ASP C . 34347 1 1643 . 1 1 179 179 ASP CA C 13 48.997 0.312 . . . . . . A 179 ASP CA . 34347 1 1644 . 1 1 179 179 ASP CB C 13 41.777 0.000 . . . . . . A 179 ASP CB . 34347 1 1645 . 1 1 179 179 ASP N N 15 128.832 0.170 . . . . . . A 179 ASP N . 34347 1 1646 . 1 1 180 180 PRO C C 13 175.216 0.000 . . . . . . A 180 PRO C . 34347 1 1647 . 1 1 180 180 PRO CA C 13 63.286 0.256 . . . . . . A 180 PRO CA . 34347 1 1648 . 1 1 180 180 PRO CB C 13 30.400 0.000 . . . . . . A 180 PRO CB . 34347 1 1649 . 1 1 180 180 PRO CG C 13 25.900 0.000 . . . . . . A 180 PRO CG . 34347 1 1650 . 1 1 180 180 PRO CD C 13 49.800 0.000 . . . . . . A 180 PRO CD . 34347 1 1651 . 1 1 181 181 ARG H H 1 8.409 0.075 . . . . . . A 181 ARG H . 34347 1 1652 . 1 1 181 181 ARG HA H 1 4.250 0.000 . . . . . . A 181 ARG HA . 34347 1 1653 . 1 1 181 181 ARG HB2 H 1 1.897 0.000 . . . . . . A 181 ARG HB2 . 34347 1 1654 . 1 1 181 181 ARG HB3 H 1 1.897 0.000 . . . . . . A 181 ARG HB3 . 34347 1 1655 . 1 1 181 181 ARG HG2 H 1 1.547 0.000 . . . . . . A 181 ARG HG2 . 34347 1 1656 . 1 1 181 181 ARG HG3 H 1 1.547 0.000 . . . . . . A 181 ARG HG3 . 34347 1 1657 . 1 1 181 181 ARG HD2 H 1 3.332 0.000 . . . . . . A 181 ARG HD2 . 34347 1 1658 . 1 1 181 181 ARG HD3 H 1 3.332 0.000 . . . . . . A 181 ARG HD3 . 34347 1 1659 . 1 1 181 181 ARG C C 13 172.192 0.067 . . . . . . A 181 ARG C . 34347 1 1660 . 1 1 181 181 ARG CA C 13 59.193 0.332 . . . . . . A 181 ARG CA . 34347 1 1661 . 1 1 181 181 ARG CB C 13 28.791 0.000 . . . . . . A 181 ARG CB . 34347 1 1662 . 1 1 181 181 ARG CG C 13 27.400 0.000 . . . . . . A 181 ARG CG . 34347 1 1663 . 1 1 181 181 ARG CD C 13 42.800 0.000 . . . . . . A 181 ARG CD . 34347 1 1664 . 1 1 181 181 ARG CZ C 13 160.100 0.000 . . . . . . A 181 ARG CZ . 34347 1 1665 . 1 1 181 181 ARG N N 15 117.937 0.120 . . . . . . A 181 ARG N . 34347 1 1666 . 1 1 182 182 GLY H H 1 7.068 0.018 . . . . . . A 182 GLY H . 34347 1 1667 . 1 1 182 182 GLY HA2 H 1 3.792 0.000 . . . . . . A 182 GLY HA2 . 34347 1 1668 . 1 1 182 182 GLY HA3 H 1 4.046 0.000 . . . . . . A 182 GLY HA3 . 34347 1 1669 . 1 1 182 182 GLY C C 13 173.216 0.000 . . . . . . A 182 GLY C . 34347 1 1670 . 1 1 182 182 GLY CA C 13 45.475 0.107 . . . . . . A 182 GLY CA . 34347 1 1671 . 1 1 182 182 GLY N N 15 103.042 0.102 . . . . . . A 182 GLY N . 34347 1 1672 . 1 1 183 183 LEU H H 1 7.145 0.028 . . . . . . A 183 LEU H . 34347 1 1673 . 1 1 183 183 LEU HA H 1 4.379 0.095 . . . . . . A 183 LEU HA . 34347 1 1674 . 1 1 183 183 LEU HB2 H 1 1.614 0.000 . . . . . . A 183 LEU HB2 . 34347 1 1675 . 1 1 183 183 LEU HB3 H 1 1.614 0.000 . . . . . . A 183 LEU HB3 . 34347 1 1676 . 1 1 183 183 LEU HG H 1 1.437 0.000 . . . . . . A 183 LEU HG . 34347 1 1677 . 1 1 183 183 LEU HD21 H 1 0.756 0.000 . . . . . . A 183 LEU HD21 . 34347 1 1678 . 1 1 183 183 LEU HD22 H 1 0.756 0.000 . . . . . . A 183 LEU HD22 . 34347 1 1679 . 1 1 183 183 LEU HD23 H 1 0.756 0.000 . . . . . . A 183 LEU HD23 . 34347 1 1680 . 1 1 183 183 LEU C C 13 172.964 0.000 . . . . . . A 183 LEU C . 34347 1 1681 . 1 1 183 183 LEU CA C 13 53.227 0.119 . . . . . . A 183 LEU CA . 34347 1 1682 . 1 1 183 183 LEU CB C 13 41.000 0.000 . . . . . . A 183 LEU CB . 34347 1 1683 . 1 1 183 183 LEU CG C 13 25.900 0.000 . . . . . . A 183 LEU CG . 34347 1 1684 . 1 1 183 183 LEU CD1 C 13 24.700 0.000 . . . . . . A 183 LEU CD1 . 34347 1 1685 . 1 1 183 183 LEU CD2 C 13 21.700 0.000 . . . . . . A 183 LEU CD2 . 34347 1 1686 . 1 1 183 183 LEU N N 15 116.528 0.116 . . . . . . A 183 LEU N . 34347 1 1687 . 1 1 184 184 LEU H H 1 6.394 0.048 . . . . . . A 184 LEU H . 34347 1 1688 . 1 1 184 184 LEU HA H 1 4.537 0.006 . . . . . . A 184 LEU HA . 34347 1 1689 . 1 1 184 184 LEU HB2 H 1 1.768 0.000 . . . . . . A 184 LEU HB2 . 34347 1 1690 . 1 1 184 184 LEU HB3 H 1 1.768 0.000 . . . . . . A 184 LEU HB3 . 34347 1 1691 . 1 1 184 184 LEU HG H 1 1.455 0.000 . . . . . . A 184 LEU HG . 34347 1 1692 . 1 1 184 184 LEU HD11 H 1 0.811 0.000 . . . . . . A 184 LEU HD11 . 34347 1 1693 . 1 1 184 184 LEU HD12 H 1 0.811 0.000 . . . . . . A 184 LEU HD12 . 34347 1 1694 . 1 1 184 184 LEU HD13 H 1 0.811 0.000 . . . . . . A 184 LEU HD13 . 34347 1 1695 . 1 1 184 184 LEU HD21 H 1 0.811 0.000 . . . . . . A 184 LEU HD21 . 34347 1 1696 . 1 1 184 184 LEU HD22 H 1 0.811 0.000 . . . . . . A 184 LEU HD22 . 34347 1 1697 . 1 1 184 184 LEU HD23 H 1 0.811 0.000 . . . . . . A 184 LEU HD23 . 34347 1 1698 . 1 1 184 184 LEU C C 13 176.023 0.000 . . . . . . A 184 LEU C . 34347 1 1699 . 1 1 184 184 LEU CA C 13 52.079 0.407 . . . . . . A 184 LEU CA . 34347 1 1700 . 1 1 184 184 LEU CB C 13 40.600 0.000 . . . . . . A 184 LEU CB . 34347 1 1701 . 1 1 184 184 LEU CG C 13 26.300 0.000 . . . . . . A 184 LEU CG . 34347 1 1702 . 1 1 184 184 LEU N N 15 111.612 0.166 . . . . . . A 184 LEU N . 34347 1 1703 . 1 1 185 185 PRO CA C 13 61.965 0.000 . . . . . . A 185 PRO CA . 34347 1 1704 . 1 1 186 186 GLU H H 1 8.228 0.000 . . . . . . A 186 GLU H . 34347 1 1705 . 1 1 186 186 GLU CA C 13 58.387 0.000 . . . . . . A 186 GLU CA . 34347 1 1706 . 1 1 186 186 GLU N N 15 118.534 0.000 . . . . . . A 186 GLU N . 34347 1 1707 . 1 1 187 187 SER H H 1 7.655 0.030 . . . . . . A 187 SER H . 34347 1 1708 . 1 1 187 187 SER HA H 1 4.571 0.083 . . . . . . A 187 SER HA . 34347 1 1709 . 1 1 187 187 SER HB2 H 1 3.792 0.000 . . . . . . A 187 SER HB2 . 34347 1 1710 . 1 1 187 187 SER HB3 H 1 3.792 0.000 . . . . . . A 187 SER HB3 . 34347 1 1711 . 1 1 187 187 SER C C 13 176.258 0.160 . . . . . . A 187 SER C . 34347 1 1712 . 1 1 187 187 SER CA C 13 55.803 0.209 . . . . . . A 187 SER CA . 34347 1 1713 . 1 1 187 187 SER CB C 13 64.208 0.000 . . . . . . A 187 SER CB . 34347 1 1714 . 1 1 187 187 SER N N 15 108.111 0.111 . . . . . . A 187 SER N . 34347 1 1715 . 1 1 188 188 LEU H H 1 8.877 0.025 . . . . . . A 188 LEU H . 34347 1 1716 . 1 1 188 188 LEU HA H 1 4.550 0.067 . . . . . . A 188 LEU HA . 34347 1 1717 . 1 1 188 188 LEU HB2 H 1 1.660 0.000 . . . . . . A 188 LEU HB2 . 34347 1 1718 . 1 1 188 188 LEU HB3 H 1 1.660 0.000 . . . . . . A 188 LEU HB3 . 34347 1 1719 . 1 1 188 188 LEU HG H 1 1.474 0.000 . . . . . . A 188 LEU HG . 34347 1 1720 . 1 1 188 188 LEU HD21 H 1 0.795 0.000 . . . . . . A 188 LEU HD21 . 34347 1 1721 . 1 1 188 188 LEU HD22 H 1 0.795 0.000 . . . . . . A 188 LEU HD22 . 34347 1 1722 . 1 1 188 188 LEU HD23 H 1 0.795 0.000 . . . . . . A 188 LEU HD23 . 34347 1 1723 . 1 1 188 188 LEU C C 13 176.092 0.000 . . . . . . A 188 LEU C . 34347 1 1724 . 1 1 188 188 LEU CA C 13 52.930 0.227 . . . . . . A 188 LEU CA . 34347 1 1725 . 1 1 188 188 LEU CB C 13 40.228 0.000 . . . . . . A 188 LEU CB . 34347 1 1726 . 1 1 188 188 LEU CG C 13 26.000 0.000 . . . . . . A 188 LEU CG . 34347 1 1727 . 1 1 188 188 LEU CD1 C 13 24.700 0.000 . . . . . . A 188 LEU CD1 . 34347 1 1728 . 1 1 188 188 LEU CD2 C 13 21.900 0.000 . . . . . . A 188 LEU CD2 . 34347 1 1729 . 1 1 188 188 LEU N N 15 123.657 0.000 . . . . . . A 188 LEU N . 34347 1 1730 . 1 1 189 189 ASP H H 1 7.702 0.043 . . . . . . A 189 ASP H . 34347 1 1731 . 1 1 189 189 ASP HA H 1 4.200 0.042 . . . . . . A 189 ASP HA . 34347 1 1732 . 1 1 189 189 ASP HB2 H 1 1.934 0.000 . . . . . . A 189 ASP HB2 . 34347 1 1733 . 1 1 189 189 ASP HB3 H 1 1.934 0.000 . . . . . . A 189 ASP HB3 . 34347 1 1734 . 1 1 189 189 ASP C C 13 176.515 0.015 . . . . . . A 189 ASP C . 34347 1 1735 . 1 1 189 189 ASP CA C 13 55.439 0.234 . . . . . . A 189 ASP CA . 34347 1 1736 . 1 1 189 189 ASP CB C 13 39.700 0.000 . . . . . . A 189 ASP CB . 34347 1 1737 . 1 1 189 189 ASP N N 15 121.989 0.094 . . . . . . A 189 ASP N . 34347 1 1738 . 1 1 190 190 TYR H H 1 8.538 0.014 . . . . . . A 190 TYR H . 34347 1 1739 . 1 1 190 190 TYR HA H 1 4.609 0.086 . . . . . . A 190 TYR HA . 34347 1 1740 . 1 1 190 190 TYR HB2 H 1 3.332 0.000 . . . . . . A 190 TYR HB2 . 34347 1 1741 . 1 1 190 190 TYR HB3 H 1 2.909 0.000 . . . . . . A 190 TYR HB3 . 34347 1 1742 . 1 1 190 190 TYR C C 13 172.443 0.054 . . . . . . A 190 TYR C . 34347 1 1743 . 1 1 190 190 TYR CA C 13 56.419 0.296 . . . . . . A 190 TYR CA . 34347 1 1744 . 1 1 190 190 TYR CB C 13 42.515 0.000 . . . . . . A 190 TYR CB . 34347 1 1745 . 1 1 190 190 TYR N N 15 118.099 0.040 . . . . . . A 190 TYR N . 34347 1 1746 . 1 1 191 191 TRP H H 1 9.385 0.094 . . . . . . A 191 TRP H . 34347 1 1747 . 1 1 191 191 TRP HA H 1 4.990 0.340 . . . . . . A 191 TRP HA . 34347 1 1748 . 1 1 191 191 TRP HB2 H 1 3.017 0.000 . . . . . . A 191 TRP HB2 . 34347 1 1749 . 1 1 191 191 TRP HB3 H 1 3.017 0.000 . . . . . . A 191 TRP HB3 . 34347 1 1750 . 1 1 191 191 TRP C C 13 176.679 0.172 . . . . . . A 191 TRP C . 34347 1 1751 . 1 1 191 191 TRP CA C 13 57.130 0.079 . . . . . . A 191 TRP CA . 34347 1 1752 . 1 1 191 191 TRP CB C 13 30.709 0.000 . . . . . . A 191 TRP CB . 34347 1 1753 . 1 1 191 191 TRP N N 15 116.486 0.092 . . . . . . A 191 TRP N . 34347 1 1754 . 1 1 192 192 THR H H 1 9.707 0.019 . . . . . . A 192 THR H . 34347 1 1755 . 1 1 192 192 THR HA H 1 4.321 0.000 . . . . . . A 192 THR HA . 34347 1 1756 . 1 1 192 192 THR HB H 1 4.211 0.000 . . . . . . A 192 THR HB . 34347 1 1757 . 1 1 192 192 THR HG21 H 1 1.309 0.000 . . . . . . A 192 THR HG21 . 34347 1 1758 . 1 1 192 192 THR HG22 H 1 1.309 0.000 . . . . . . A 192 THR HG22 . 34347 1 1759 . 1 1 192 192 THR HG23 H 1 1.309 0.000 . . . . . . A 192 THR HG23 . 34347 1 1760 . 1 1 192 192 THR C C 13 170.470 0.000 . . . . . . A 192 THR C . 34347 1 1761 . 1 1 192 192 THR CA C 13 57.831 0.193 . . . . . . A 192 THR CA . 34347 1 1762 . 1 1 192 192 THR CB C 13 70.300 0.000 . . . . . . A 192 THR CB . 34347 1 1763 . 1 1 192 192 THR CG2 C 13 18.300 0.000 . . . . . . A 192 THR CG2 . 34347 1 1764 . 1 1 192 192 THR N N 15 114.705 0.156 . . . . . . A 192 THR N . 34347 1 1765 . 1 1 193 193 TYR H H 1 7.973 0.027 . . . . . . A 193 TYR H . 34347 1 1766 . 1 1 193 193 TYR HA H 1 4.191 0.031 . . . . . . A 193 TYR HA . 34347 1 1767 . 1 1 193 193 TYR HB2 H 1 3.719 0.000 . . . . . . A 193 TYR HB2 . 34347 1 1768 . 1 1 193 193 TYR HB3 H 1 3.719 0.000 . . . . . . A 193 TYR HB3 . 34347 1 1769 . 1 1 193 193 TYR C C 13 170.848 0.000 . . . . . . A 193 TYR C . 34347 1 1770 . 1 1 193 193 TYR CA C 13 55.313 0.079 . . . . . . A 193 TYR CA . 34347 1 1771 . 1 1 193 193 TYR CB C 13 38.200 0.000 . . . . . . A 193 TYR CB . 34347 1 1772 . 1 1 193 193 TYR N N 15 124.809 0.172 . . . . . . A 193 TYR N . 34347 1 1773 . 1 1 194 194 PRO C C 13 176.328 0.000 . . . . . . A 194 PRO C . 34347 1 1774 . 1 1 194 194 PRO CA C 13 45.761 0.000 . . . . . . A 194 PRO CA . 34347 1 1775 . 1 1 194 194 PRO CB C 13 30.119 0.000 . . . . . . A 194 PRO CB . 34347 1 1776 . 1 1 194 194 PRO CG C 13 27.000 0.000 . . . . . . A 194 PRO CG . 34347 1 1777 . 1 1 194 194 PRO CD C 13 50.000 0.000 . . . . . . A 194 PRO CD . 34347 1 1778 . 1 1 195 195 GLY H H 1 9.376 0.027 . . . . . . A 195 GLY H . 34347 1 1779 . 1 1 195 195 GLY C C 13 173.816 0.000 . . . . . . A 195 GLY C . 34347 1 1780 . 1 1 195 195 GLY CA C 13 45.480 0.286 . . . . . . A 195 GLY CA . 34347 1 1781 . 1 1 195 195 GLY N N 15 110.337 0.062 . . . . . . A 195 GLY N . 34347 1 1782 . 1 1 196 196 SER H H 1 8.768 0.026 . . . . . . A 196 SER H . 34347 1 1783 . 1 1 196 196 SER HA H 1 4.762 0.000 . . . . . . A 196 SER HA . 34347 1 1784 . 1 1 196 196 SER HB2 H 1 3.553 0.000 . . . . . . A 196 SER HB2 . 34347 1 1785 . 1 1 196 196 SER HB3 H 1 3.539 0.020 . . . . . . A 196 SER HB3 . 34347 1 1786 . 1 1 196 196 SER C C 13 175.303 0.110 . . . . . . A 196 SER C . 34347 1 1787 . 1 1 196 196 SER CA C 13 57.146 0.372 . . . . . . A 196 SER CA . 34347 1 1788 . 1 1 196 196 SER CB C 13 70.200 0.300 . . . . . . A 196 SER CB . 34347 1 1789 . 1 1 196 196 SER N N 15 121.060 0.132 . . . . . . A 196 SER N . 34347 1 1790 . 1 1 197 197 LEU H H 1 7.921 0.000 . . . . . . A 197 LEU H . 34347 1 1791 . 1 1 197 197 LEU HA H 1 4.420 0.000 . . . . . . A 197 LEU HA . 34347 1 1792 . 1 1 197 197 LEU HB2 H 1 1.934 0.000 . . . . . . A 197 LEU HB2 . 34347 1 1793 . 1 1 197 197 LEU HB3 H 1 1.934 0.000 . . . . . . A 197 LEU HB3 . 34347 1 1794 . 1 1 197 197 LEU HG H 1 1.648 0.000 . . . . . . A 197 LEU HG . 34347 1 1795 . 1 1 197 197 LEU HD11 H 1 0.887 0.000 . . . . . . A 197 LEU HD11 . 34347 1 1796 . 1 1 197 197 LEU HD12 H 1 0.887 0.000 . . . . . . A 197 LEU HD12 . 34347 1 1797 . 1 1 197 197 LEU HD13 H 1 0.887 0.000 . . . . . . A 197 LEU HD13 . 34347 1 1798 . 1 1 197 197 LEU HD21 H 1 0.887 0.000 . . . . . . A 197 LEU HD21 . 34347 1 1799 . 1 1 197 197 LEU HD22 H 1 0.887 0.000 . . . . . . A 197 LEU HD22 . 34347 1 1800 . 1 1 197 197 LEU HD23 H 1 0.887 0.000 . . . . . . A 197 LEU HD23 . 34347 1 1801 . 1 1 197 197 LEU C C 13 179.298 0.000 . . . . . . A 197 LEU C . 34347 1 1802 . 1 1 197 197 LEU CA C 13 55.206 0.001 . . . . . . A 197 LEU CA . 34347 1 1803 . 1 1 197 197 LEU CB C 13 42.441 0.000 . . . . . . A 197 LEU CB . 34347 1 1804 . 1 1 197 197 LEU CG C 13 33.200 0.000 . . . . . . A 197 LEU CG . 34347 1 1805 . 1 1 197 197 LEU N N 15 117.852 0.000 . . . . . . A 197 LEU N . 34347 1 1806 . 1 1 198 198 THR H H 1 8.698 0.000 . . . . . . A 198 THR H . 34347 1 1807 . 1 1 198 198 THR HA H 1 4.363 0.000 . . . . . . A 198 THR HA . 34347 1 1808 . 1 1 198 198 THR HG1 H 1 5.897 0.000 . . . . . . A 198 THR HG1 . 34347 1 1809 . 1 1 198 198 THR HG21 H 1 0.903 0.000 . . . . . . A 198 THR HG21 . 34347 1 1810 . 1 1 198 198 THR HG22 H 1 0.903 0.000 . . . . . . A 198 THR HG22 . 34347 1 1811 . 1 1 198 198 THR HG23 H 1 0.903 0.000 . . . . . . A 198 THR HG23 . 34347 1 1812 . 1 1 198 198 THR C C 13 173.349 0.000 . . . . . . A 198 THR C . 34347 1 1813 . 1 1 198 198 THR CA C 13 62.068 0.006 . . . . . . A 198 THR CA . 34347 1 1814 . 1 1 198 198 THR CB C 13 67.176 0.341 . . . . . . A 198 THR CB . 34347 1 1815 . 1 1 198 198 THR N N 15 111.231 0.195 . . . . . . A 198 THR N . 34347 1 1816 . 1 1 199 199 THR H H 1 7.080 0.104 . . . . . . A 199 THR H . 34347 1 1817 . 1 1 199 199 THR HA H 1 4.510 0.136 . . . . . . A 199 THR HA . 34347 1 1818 . 1 1 199 199 THR HB H 1 3.915 0.000 . . . . . . A 199 THR HB . 34347 1 1819 . 1 1 199 199 THR HG21 H 1 1.401 0.000 . . . . . . A 199 THR HG21 . 34347 1 1820 . 1 1 199 199 THR HG22 H 1 1.401 0.000 . . . . . . A 199 THR HG22 . 34347 1 1821 . 1 1 199 199 THR HG23 H 1 1.401 0.000 . . . . . . A 199 THR HG23 . 34347 1 1822 . 1 1 199 199 THR C C 13 173.694 0.000 . . . . . . A 199 THR C . 34347 1 1823 . 1 1 199 199 THR CA C 13 56.295 0.143 . . . . . . A 199 THR CA . 34347 1 1824 . 1 1 199 199 THR CB C 13 68.626 0.000 . . . . . . A 199 THR CB . 34347 1 1825 . 1 1 199 199 THR CG2 C 13 21.275 0.000 . . . . . . A 199 THR CG2 . 34347 1 1826 . 1 1 199 199 THR N N 15 108.352 0.284 . . . . . . A 199 THR N . 34347 1 1827 . 1 1 201 201 PRO C C 13 174.847 0.000 . . . . . . A 201 PRO C . 34347 1 1828 . 1 1 201 201 PRO CA C 13 63.726 0.060 . . . . . . A 201 PRO CA . 34347 1 1829 . 1 1 201 201 PRO CB C 13 32.900 0.000 . . . . . . A 201 PRO CB . 34347 1 1830 . 1 1 201 201 PRO CG C 13 24.400 0.000 . . . . . . A 201 PRO CG . 34347 1 1831 . 1 1 201 201 PRO CD C 13 49.300 0.000 . . . . . . A 201 PRO CD . 34347 1 1832 . 1 1 202 202 LEU H H 1 9.113 0.028 . . . . . . A 202 LEU H . 34347 1 1833 . 1 1 202 202 LEU HA H 1 3.619 0.019 . . . . . . A 202 LEU HA . 34347 1 1834 . 1 1 202 202 LEU HB2 H 1 1.750 0.000 . . . . . . A 202 LEU HB2 . 34347 1 1835 . 1 1 202 202 LEU HB3 H 1 1.750 0.000 . . . . . . A 202 LEU HB3 . 34347 1 1836 . 1 1 202 202 LEU HG H 1 1.621 0.000 . . . . . . A 202 LEU HG . 34347 1 1837 . 1 1 202 202 LEU HD21 H 1 0.850 0.000 . . . . . . A 202 LEU HD21 . 34347 1 1838 . 1 1 202 202 LEU HD22 H 1 0.850 0.000 . . . . . . A 202 LEU HD22 . 34347 1 1839 . 1 1 202 202 LEU HD23 H 1 0.850 0.000 . . . . . . A 202 LEU HD23 . 34347 1 1840 . 1 1 202 202 LEU C C 13 173.255 0.000 . . . . . . A 202 LEU C . 34347 1 1841 . 1 1 202 202 LEU CA C 13 56.791 0.341 . . . . . . A 202 LEU CA . 34347 1 1842 . 1 1 202 202 LEU CB C 13 36.022 0.000 . . . . . . A 202 LEU CB . 34347 1 1843 . 1 1 202 202 LEU CG C 13 25.342 0.000 . . . . . . A 202 LEU CG . 34347 1 1844 . 1 1 202 202 LEU CD2 C 13 20.428 0.000 . . . . . . A 202 LEU CD2 . 34347 1 1845 . 1 1 202 202 LEU N N 15 120.071 0.085 . . . . . . A 202 LEU N . 34347 1 1846 . 1 1 203 203 LEU H H 1 5.911 0.034 . . . . . . A 203 LEU H . 34347 1 1847 . 1 1 203 203 LEU HA H 1 3.898 0.000 . . . . . . A 203 LEU HA . 34347 1 1848 . 1 1 203 203 LEU HB2 H 1 1.695 0.000 . . . . . . A 203 LEU HB2 . 34347 1 1849 . 1 1 203 203 LEU HB3 H 1 1.695 0.000 . . . . . . A 203 LEU HB3 . 34347 1 1850 . 1 1 203 203 LEU HG H 1 1.603 0.000 . . . . . . A 203 LEU HG . 34347 1 1851 . 1 1 203 203 LEU HD21 H 1 0.831 0.000 . . . . . . A 203 LEU HD21 . 34347 1 1852 . 1 1 203 203 LEU HD22 H 1 0.831 0.000 . . . . . . A 203 LEU HD22 . 34347 1 1853 . 1 1 203 203 LEU HD23 H 1 0.831 0.000 . . . . . . A 203 LEU HD23 . 34347 1 1854 . 1 1 203 203 LEU C C 13 178.145 0.000 . . . . . . A 203 LEU C . 34347 1 1855 . 1 1 203 203 LEU CA C 13 54.967 0.299 . . . . . . A 203 LEU CA . 34347 1 1856 . 1 1 203 203 LEU CB C 13 41.187 0.000 . . . . . . A 203 LEU CB . 34347 1 1857 . 1 1 203 203 LEU CG C 13 26.500 0.000 . . . . . . A 203 LEU CG . 34347 1 1858 . 1 1 203 203 LEU CD1 C 13 24.200 0.000 . . . . . . A 203 LEU CD1 . 34347 1 1859 . 1 1 203 203 LEU CD2 C 13 21.000 0.000 . . . . . . A 203 LEU CD2 . 34347 1 1860 . 1 1 203 203 LEU N N 15 111.056 0.207 . . . . . . A 203 LEU N . 34347 1 1861 . 1 1 204 204 GLU H H 1 8.767 0.019 . . . . . . A 204 GLU H . 34347 1 1862 . 1 1 204 204 GLU HA H 1 4.001 0.014 . . . . . . A 204 GLU HA . 34347 1 1863 . 1 1 204 204 GLU HB2 H 1 1.952 0.000 . . . . . . A 204 GLU HB2 . 34347 1 1864 . 1 1 204 204 GLU HB3 H 1 1.952 0.000 . . . . . . A 204 GLU HB3 . 34347 1 1865 . 1 1 204 204 GLU HG2 H 1 2.044 0.000 . . . . . . A 204 GLU HG2 . 34347 1 1866 . 1 1 204 204 GLU HG3 H 1 2.044 0.000 . . . . . . A 204 GLU HG3 . 34347 1 1867 . 1 1 204 204 GLU C C 13 175.450 0.000 . . . . . . A 204 GLU C . 34347 1 1868 . 1 1 204 204 GLU CA C 13 55.217 0.254 . . . . . . A 204 GLU CA . 34347 1 1869 . 1 1 204 204 GLU CB C 13 26.000 0.000 . . . . . . A 204 GLU CB . 34347 1 1870 . 1 1 204 204 GLU CG C 13 37.289 0.000 . . . . . . A 204 GLU CG . 34347 1 1871 . 1 1 204 204 GLU N N 15 124.546 0.067 . . . . . . A 204 GLU N . 34347 1 1872 . 1 1 205 205 CYS H H 1 7.621 0.026 . . . . . . A 205 CYS H . 34347 1 1873 . 1 1 205 205 CYS HA H 1 4.264 0.034 . . . . . . A 205 CYS HA . 34347 1 1874 . 1 1 205 205 CYS HB2 H 1 3.237 0.000 . . . . . . A 205 CYS HB2 . 34347 1 1875 . 1 1 205 205 CYS HB3 H 1 3.237 0.000 . . . . . . A 205 CYS HB3 . 34347 1 1876 . 1 1 205 205 CYS C C 13 173.165 0.124 . . . . . . A 205 CYS C . 34347 1 1877 . 1 1 205 205 CYS CA C 13 55.004 0.147 . . . . . . A 205 CYS CA . 34347 1 1878 . 1 1 205 205 CYS CB C 13 31.595 0.000 . . . . . . A 205 CYS CB . 34347 1 1879 . 1 1 205 205 CYS N N 15 113.401 0.243 . . . . . . A 205 CYS N . 34347 1 1880 . 1 1 206 206 VAL H H 1 7.218 0.031 . . . . . . A 206 VAL H . 34347 1 1881 . 1 1 206 206 VAL HA H 1 4.019 0.025 . . . . . . A 206 VAL HA . 34347 1 1882 . 1 1 206 206 VAL HB H 1 1.952 0.000 . . . . . . A 206 VAL HB . 34347 1 1883 . 1 1 206 206 VAL HG21 H 1 0.758 0.000 . . . . . . A 206 VAL HG21 . 34347 1 1884 . 1 1 206 206 VAL HG22 H 1 0.758 0.000 . . . . . . A 206 VAL HG22 . 34347 1 1885 . 1 1 206 206 VAL HG23 H 1 0.758 0.000 . . . . . . A 206 VAL HG23 . 34347 1 1886 . 1 1 206 206 VAL C C 13 175.707 0.000 . . . . . . A 206 VAL C . 34347 1 1887 . 1 1 206 206 VAL CA C 13 61.445 0.115 . . . . . . A 206 VAL CA . 34347 1 1888 . 1 1 206 206 VAL CB C 13 35.100 0.000 . . . . . . A 206 VAL CB . 34347 1 1889 . 1 1 206 206 VAL CG1 C 13 22.500 0.000 . . . . . . A 206 VAL CG1 . 34347 1 1890 . 1 1 206 206 VAL CG2 C 13 19.600 0.000 . . . . . . A 206 VAL CG2 . 34347 1 1891 . 1 1 206 206 VAL N N 15 119.534 0.171 . . . . . . A 206 VAL N . 34347 1 1892 . 1 1 207 207 THR H H 1 8.418 0.002 . . . . . . A 207 THR H . 34347 1 1893 . 1 1 207 207 THR HA H 1 5.048 0.000 . . . . . . A 207 THR HA . 34347 1 1894 . 1 1 207 207 THR HB H 1 3.715 0.000 . . . . . . A 207 THR HB . 34347 1 1895 . 1 1 207 207 THR HG21 H 1 1.327 0.000 . . . . . . A 207 THR HG21 . 34347 1 1896 . 1 1 207 207 THR HG22 H 1 1.327 0.000 . . . . . . A 207 THR HG22 . 34347 1 1897 . 1 1 207 207 THR HG23 H 1 1.327 0.000 . . . . . . A 207 THR HG23 . 34347 1 1898 . 1 1 207 207 THR C C 13 175.516 0.000 . . . . . . A 207 THR C . 34347 1 1899 . 1 1 207 207 THR CA C 13 62.800 0.119 . . . . . . A 207 THR CA . 34347 1 1900 . 1 1 207 207 THR CB C 13 67.700 0.000 . . . . . . A 207 THR CB . 34347 1 1901 . 1 1 207 207 THR CG2 C 13 20.600 0.000 . . . . . . A 207 THR CG2 . 34347 1 1902 . 1 1 207 207 THR N N 15 124.494 0.045 . . . . . . A 207 THR N . 34347 1 1903 . 1 1 208 208 TRP H H 1 8.252 0.018 . . . . . . A 208 TRP H . 34347 1 1904 . 1 1 208 208 TRP HA H 1 3.932 0.000 . . . . . . A 208 TRP HA . 34347 1 1905 . 1 1 208 208 TRP HB2 H 1 2.449 0.000 . . . . . . A 208 TRP HB2 . 34347 1 1906 . 1 1 208 208 TRP HB3 H 1 2.449 0.000 . . . . . . A 208 TRP HB3 . 34347 1 1907 . 1 1 208 208 TRP C C 13 176.577 0.000 . . . . . . A 208 TRP C . 34347 1 1908 . 1 1 208 208 TRP CA C 13 58.328 0.172 . . . . . . A 208 TRP CA . 34347 1 1909 . 1 1 208 208 TRP CB C 13 30.500 0.000 . . . . . . A 208 TRP CB . 34347 1 1910 . 1 1 208 208 TRP N N 15 129.103 0.071 . . . . . . A 208 TRP N . 34347 1 1911 . 1 1 209 209 ILE H H 1 8.503 0.028 . . . . . . A 209 ILE H . 34347 1 1912 . 1 1 209 209 ILE HA H 1 4.734 0.142 . . . . . . A 209 ILE HA . 34347 1 1913 . 1 1 209 209 ILE HB H 1 1.805 0.000 . . . . . . A 209 ILE HB . 34347 1 1914 . 1 1 209 209 ILE HG12 H 1 1.142 0.000 . . . . . . A 209 ILE HG12 . 34347 1 1915 . 1 1 209 209 ILE HG13 H 1 1.142 0.000 . . . . . . A 209 ILE HG13 . 34347 1 1916 . 1 1 209 209 ILE HG21 H 1 0.811 0.000 . . . . . . A 209 ILE HG21 . 34347 1 1917 . 1 1 209 209 ILE HG22 H 1 0.811 0.000 . . . . . . A 209 ILE HG22 . 34347 1 1918 . 1 1 209 209 ILE HG23 H 1 0.811 0.000 . . . . . . A 209 ILE HG23 . 34347 1 1919 . 1 1 209 209 ILE HD11 H 1 0.351 0.000 . . . . . . A 209 ILE HD11 . 34347 1 1920 . 1 1 209 209 ILE HD12 H 1 0.351 0.000 . . . . . . A 209 ILE HD12 . 34347 1 1921 . 1 1 209 209 ILE HD13 H 1 0.351 0.000 . . . . . . A 209 ILE HD13 . 34347 1 1922 . 1 1 209 209 ILE C C 13 172.700 0.183 . . . . . . A 209 ILE C . 34347 1 1923 . 1 1 209 209 ILE CA C 13 54.957 0.242 . . . . . . A 209 ILE CA . 34347 1 1924 . 1 1 209 209 ILE CB C 13 38.700 0.000 . . . . . . A 209 ILE CB . 34347 1 1925 . 1 1 209 209 ILE CG1 C 13 26.100 0.000 . . . . . . A 209 ILE CG1 . 34347 1 1926 . 1 1 209 209 ILE CG2 C 13 17.700 0.000 . . . . . . A 209 ILE CG2 . 34347 1 1927 . 1 1 209 209 ILE CD1 C 13 13.400 0.000 . . . . . . A 209 ILE CD1 . 34347 1 1928 . 1 1 209 209 ILE N N 15 125.621 0.086 . . . . . . A 209 ILE N . 34347 1 1929 . 1 1 210 210 VAL H H 1 8.678 0.046 . . . . . . A 210 VAL H . 34347 1 1930 . 1 1 210 210 VAL HA H 1 4.101 0.000 . . . . . . A 210 VAL HA . 34347 1 1931 . 1 1 210 210 VAL HB H 1 2.154 0.000 . . . . . . A 210 VAL HB . 34347 1 1932 . 1 1 210 210 VAL HG11 H 1 0.682 0.000 . . . . . . A 210 VAL HG11 . 34347 1 1933 . 1 1 210 210 VAL HG12 H 1 0.682 0.000 . . . . . . A 210 VAL HG12 . 34347 1 1934 . 1 1 210 210 VAL HG13 H 1 0.682 0.000 . . . . . . A 210 VAL HG13 . 34347 1 1935 . 1 1 210 210 VAL HG21 H 1 0.682 0.000 . . . . . . A 210 VAL HG21 . 34347 1 1936 . 1 1 210 210 VAL HG22 H 1 0.682 0.000 . . . . . . A 210 VAL HG22 . 34347 1 1937 . 1 1 210 210 VAL HG23 H 1 0.682 0.000 . . . . . . A 210 VAL HG23 . 34347 1 1938 . 1 1 210 210 VAL C C 13 175.832 0.203 . . . . . . A 210 VAL C . 34347 1 1939 . 1 1 210 210 VAL CA C 13 54.427 0.534 . . . . . . A 210 VAL CA . 34347 1 1940 . 1 1 210 210 VAL CB C 13 30.931 0.000 . . . . . . A 210 VAL CB . 34347 1 1941 . 1 1 210 210 VAL N N 15 123.853 0.027 . . . . . . A 210 VAL N . 34347 1 1942 . 1 1 211 211 LEU H H 1 8.836 0.043 . . . . . . A 211 LEU H . 34347 1 1943 . 1 1 211 211 LEU HA H 1 4.182 0.158 . . . . . . A 211 LEU HA . 34347 1 1944 . 1 1 211 211 LEU HB2 H 1 2.007 0.000 . . . . . . A 211 LEU HB2 . 34347 1 1945 . 1 1 211 211 LEU HB3 H 1 2.007 0.000 . . . . . . A 211 LEU HB3 . 34347 1 1946 . 1 1 211 211 LEU HG H 1 0.793 0.000 . . . . . . A 211 LEU HG . 34347 1 1947 . 1 1 211 211 LEU HD21 H 1 0.462 0.000 . . . . . . A 211 LEU HD21 . 34347 1 1948 . 1 1 211 211 LEU HD22 H 1 0.462 0.000 . . . . . . A 211 LEU HD22 . 34347 1 1949 . 1 1 211 211 LEU HD23 H 1 0.462 0.000 . . . . . . A 211 LEU HD23 . 34347 1 1950 . 1 1 211 211 LEU C C 13 175.601 0.039 . . . . . . A 211 LEU C . 34347 1 1951 . 1 1 211 211 LEU CA C 13 56.856 0.251 . . . . . . A 211 LEU CA . 34347 1 1952 . 1 1 211 211 LEU CB C 13 38.806 0.000 . . . . . . A 211 LEU CB . 34347 1 1953 . 1 1 211 211 LEU CG C 13 26.400 0.000 . . . . . . A 211 LEU CG . 34347 1 1954 . 1 1 211 211 LEU CD1 C 13 22.600 0.000 . . . . . . A 211 LEU CD1 . 34347 1 1955 . 1 1 211 211 LEU CD2 C 13 22.600 0.000 . . . . . . A 211 LEU CD2 . 34347 1 1956 . 1 1 211 211 LEU N N 15 125.706 0.021 . . . . . . A 211 LEU N . 34347 1 1957 . 1 1 212 212 LYS H H 1 7.456 0.050 . . . . . . A 212 LYS H . 34347 1 1958 . 1 1 212 212 LYS HA H 1 4.751 0.000 . . . . . . A 212 LYS HA . 34347 1 1959 . 1 1 212 212 LYS HB2 H 1 1.933 0.000 . . . . . . A 212 LYS HB2 . 34347 1 1960 . 1 1 212 212 LYS HB3 H 1 1.933 0.000 . . . . . . A 212 LYS HB3 . 34347 1 1961 . 1 1 212 212 LYS HG2 H 1 0.719 0.000 . . . . . . A 212 LYS HG2 . 34347 1 1962 . 1 1 212 212 LYS HG3 H 1 0.719 0.000 . . . . . . A 212 LYS HG3 . 34347 1 1963 . 1 1 212 212 LYS HE2 H 1 3.061 0.000 . . . . . . A 212 LYS HE2 . 34347 1 1964 . 1 1 212 212 LYS HE3 H 1 3.061 0.000 . . . . . . A 212 LYS HE3 . 34347 1 1965 . 1 1 212 212 LYS C C 13 177.893 0.000 . . . . . . A 212 LYS C . 34347 1 1966 . 1 1 212 212 LYS CA C 13 57.800 0.118 . . . . . . A 212 LYS CA . 34347 1 1967 . 1 1 212 212 LYS CB C 13 31.004 0.000 . . . . . . A 212 LYS CB . 34347 1 1968 . 1 1 212 212 LYS CG C 13 22.500 0.000 . . . . . . A 212 LYS CG . 34347 1 1969 . 1 1 212 212 LYS CD C 13 27.900 0.000 . . . . . . A 212 LYS CD . 34347 1 1970 . 1 1 212 212 LYS CE C 13 40.800 0.000 . . . . . . A 212 LYS CE . 34347 1 1971 . 1 1 212 212 LYS N N 15 120.863 0.074 . . . . . . A 212 LYS N . 34347 1 1972 . 1 1 213 213 GLU H H 1 8.949 0.000 . . . . . . A 213 GLU H . 34347 1 1973 . 1 1 213 213 GLU CA C 13 53.295 0.000 . . . . . . A 213 GLU CA . 34347 1 1974 . 1 1 213 213 GLU N N 15 123.650 0.000 . . . . . . A 213 GLU N . 34347 1 1975 . 1 1 214 214 PRO CA C 13 61.635 0.000 . . . . . . A 214 PRO CA . 34347 1 1976 . 1 1 215 215 ILE H H 1 9.003 0.000 . . . . . . A 215 ILE H . 34347 1 1977 . 1 1 215 215 ILE CA C 13 59.846 0.000 . . . . . . A 215 ILE CA . 34347 1 1978 . 1 1 215 215 ILE N N 15 115.608 0.000 . . . . . . A 215 ILE N . 34347 1 1979 . 1 1 216 216 SER H H 1 8.160 0.000 . . . . . . A 216 SER H . 34347 1 1980 . 1 1 216 216 SER CA C 13 56.736 0.000 . . . . . . A 216 SER CA . 34347 1 1981 . 1 1 216 216 SER N N 15 118.890 0.000 . . . . . . A 216 SER N . 34347 1 1982 . 1 1 217 217 VAL H H 1 8.597 0.000 . . . . . . A 217 VAL H . 34347 1 1983 . 1 1 217 217 VAL CA C 13 58.607 0.000 . . . . . . A 217 VAL CA . 34347 1 1984 . 1 1 217 217 VAL N N 15 117.921 0.000 . . . . . . A 217 VAL N . 34347 1 1985 . 1 1 218 218 SER H H 1 8.404 0.031 . . . . . . A 218 SER H . 34347 1 1986 . 1 1 218 218 SER HA H 1 4.882 0.018 . . . . . . A 218 SER HA . 34347 1 1987 . 1 1 218 218 SER HB2 H 1 3.935 0.000 . . . . . . A 218 SER HB2 . 34347 1 1988 . 1 1 218 218 SER HB3 H 1 3.935 0.000 . . . . . . A 218 SER HB3 . 34347 1 1989 . 1 1 218 218 SER C C 13 176.754 0.063 . . . . . . A 218 SER C . 34347 1 1990 . 1 1 218 218 SER CA C 13 55.795 0.187 . . . . . . A 218 SER CA . 34347 1 1991 . 1 1 218 218 SER CB C 13 65.609 0.000 . . . . . . A 218 SER CB . 34347 1 1992 . 1 1 218 218 SER N N 15 114.542 0.177 . . . . . . A 218 SER N . 34347 1 1993 . 1 1 219 219 SER H H 1 9.290 0.023 . . . . . . A 219 SER H . 34347 1 1994 . 1 1 219 219 SER HA H 1 4.468 0.000 . . . . . . A 219 SER HA . 34347 1 1995 . 1 1 219 219 SER HB2 H 1 3.844 0.000 . . . . . . A 219 SER HB2 . 34347 1 1996 . 1 1 219 219 SER HB3 H 1 3.844 0.000 . . . . . . A 219 SER HB3 . 34347 1 1997 . 1 1 219 219 SER C C 13 177.010 0.000 . . . . . . A 219 SER C . 34347 1 1998 . 1 1 219 219 SER CA C 13 61.252 0.395 . . . . . . A 219 SER CA . 34347 1 1999 . 1 1 219 219 SER CB C 13 65.100 0.000 . . . . . . A 219 SER CB . 34347 1 2000 . 1 1 219 219 SER N N 15 116.609 0.178 . . . . . . A 219 SER N . 34347 1 2001 . 1 1 220 220 GLU H H 1 8.243 0.012 . . . . . . A 220 GLU H . 34347 1 2002 . 1 1 220 220 GLU HA H 1 4.694 0.000 . . . . . . A 220 GLU HA . 34347 1 2003 . 1 1 220 220 GLU HB2 H 1 1.915 0.000 . . . . . . A 220 GLU HB2 . 34347 1 2004 . 1 1 220 220 GLU HB3 H 1 1.915 0.000 . . . . . . A 220 GLU HB3 . 34347 1 2005 . 1 1 220 220 GLU HG2 H 1 2.025 0.000 . . . . . . A 220 GLU HG2 . 34347 1 2006 . 1 1 220 220 GLU HG3 H 1 2.025 0.000 . . . . . . A 220 GLU HG3 . 34347 1 2007 . 1 1 220 220 GLU C C 13 174.539 0.000 . . . . . . A 220 GLU C . 34347 1 2008 . 1 1 220 220 GLU CA C 13 58.895 0.001 . . . . . . A 220 GLU CA . 34347 1 2009 . 1 1 220 220 GLU CB C 13 34.694 0.000 . . . . . . A 220 GLU CB . 34347 1 2010 . 1 1 220 220 GLU CG C 13 36.400 0.000 . . . . . . A 220 GLU CG . 34347 1 2011 . 1 1 220 220 GLU N N 15 118.009 0.000 . . . . . . A 220 GLU N . 34347 1 2012 . 1 1 221 221 GLN H H 1 7.535 0.088 . . . . . . A 221 GLN H . 34347 1 2013 . 1 1 221 221 GLN HA H 1 3.833 0.015 . . . . . . A 221 GLN HA . 34347 1 2014 . 1 1 221 221 GLN HB2 H 1 2.172 0.000 . . . . . . A 221 GLN HB2 . 34347 1 2015 . 1 1 221 221 GLN HB3 H 1 2.172 0.000 . . . . . . A 221 GLN HB3 . 34347 1 2016 . 1 1 221 221 GLN HG2 H 1 2.264 0.000 . . . . . . A 221 GLN HG2 . 34347 1 2017 . 1 1 221 221 GLN HG3 H 1 2.264 0.000 . . . . . . A 221 GLN HG3 . 34347 1 2018 . 1 1 221 221 GLN C C 13 175.637 0.222 . . . . . . A 221 GLN C . 34347 1 2019 . 1 1 221 221 GLN CA C 13 60.154 0.232 . . . . . . A 221 GLN CA . 34347 1 2020 . 1 1 221 221 GLN CB C 13 27.700 0.000 . . . . . . A 221 GLN CB . 34347 1 2021 . 1 1 221 221 GLN CG C 13 35.200 0.000 . . . . . . A 221 GLN CG . 34347 1 2022 . 1 1 221 221 GLN N N 15 117.195 0.209 . . . . . . A 221 GLN N . 34347 1 2023 . 1 1 222 222 VAL H H 1 7.186 0.020 . . . . . . A 222 VAL H . 34347 1 2024 . 1 1 222 222 VAL HA H 1 4.779 0.030 . . . . . . A 222 VAL HA . 34347 1 2025 . 1 1 222 222 VAL HB H 1 2.172 0.000 . . . . . . A 222 VAL HB . 34347 1 2026 . 1 1 222 222 VAL HG21 H 1 0.740 0.000 . . . . . . A 222 VAL HG21 . 34347 1 2027 . 1 1 222 222 VAL HG22 H 1 0.740 0.000 . . . . . . A 222 VAL HG22 . 34347 1 2028 . 1 1 222 222 VAL HG23 H 1 0.740 0.000 . . . . . . A 222 VAL HG23 . 34347 1 2029 . 1 1 222 222 VAL C C 13 177.396 0.042 . . . . . . A 222 VAL C . 34347 1 2030 . 1 1 222 222 VAL CA C 13 54.450 0.105 . . . . . . A 222 VAL CA . 34347 1 2031 . 1 1 222 222 VAL CB C 13 30.500 0.000 . . . . . . A 222 VAL CB . 34347 1 2032 . 1 1 222 222 VAL CG1 C 13 20.900 0.000 . . . . . . A 222 VAL CG1 . 34347 1 2033 . 1 1 222 222 VAL CG2 C 13 19.700 0.000 . . . . . . A 222 VAL CG2 . 34347 1 2034 . 1 1 222 222 VAL N N 15 114.246 0.216 . . . . . . A 222 VAL N . 34347 1 2035 . 1 1 223 223 LEU H H 1 8.215 0.068 . . . . . . A 223 LEU H . 34347 1 2036 . 1 1 223 223 LEU HA H 1 4.854 0.134 . . . . . . A 223 LEU HA . 34347 1 2037 . 1 1 223 223 LEU HB2 H 1 1.639 0.000 . . . . . . A 223 LEU HB2 . 34347 1 2038 . 1 1 223 223 LEU HB3 H 1 1.639 0.000 . . . . . . A 223 LEU HB3 . 34347 1 2039 . 1 1 223 223 LEU HG H 1 1.179 0.000 . . . . . . A 223 LEU HG . 34347 1 2040 . 1 1 223 223 LEU HD21 H 1 0.813 0.000 . . . . . . A 223 LEU HD21 . 34347 1 2041 . 1 1 223 223 LEU HD22 H 1 0.813 0.000 . . . . . . A 223 LEU HD22 . 34347 1 2042 . 1 1 223 223 LEU HD23 H 1 0.813 0.000 . . . . . . A 223 LEU HD23 . 34347 1 2043 . 1 1 223 223 LEU C C 13 179.393 0.000 . . . . . . A 223 LEU C . 34347 1 2044 . 1 1 223 223 LEU CA C 13 57.481 0.134 . . . . . . A 223 LEU CA . 34347 1 2045 . 1 1 223 223 LEU CB C 13 40.700 0.000 . . . . . . A 223 LEU CB . 34347 1 2046 . 1 1 223 223 LEU CG C 13 26.100 0.000 . . . . . . A 223 LEU CG . 34347 1 2047 . 1 1 223 223 LEU CD1 C 13 23.700 0.000 . . . . . . A 223 LEU CD1 . 34347 1 2048 . 1 1 223 223 LEU CD2 C 13 23.700 0.000 . . . . . . A 223 LEU CD2 . 34347 1 2049 . 1 1 223 223 LEU N N 15 121.018 0.071 . . . . . . A 223 LEU N . 34347 1 2050 . 1 1 224 224 LYS H H 1 6.855 0.020 . . . . . . A 224 LYS H . 34347 1 2051 . 1 1 224 224 LYS HA H 1 4.218 0.000 . . . . . . A 224 LYS HA . 34347 1 2052 . 1 1 224 224 LYS HB2 H 1 1.547 0.000 . . . . . . A 224 LYS HB2 . 34347 1 2053 . 1 1 224 224 LYS HB3 H 1 1.547 0.000 . . . . . . A 224 LYS HB3 . 34347 1 2054 . 1 1 224 224 LYS HG2 H 1 1.915 0.000 . . . . . . A 224 LYS HG2 . 34347 1 2055 . 1 1 224 224 LYS HG3 H 1 1.915 0.000 . . . . . . A 224 LYS HG3 . 34347 1 2056 . 1 1 224 224 LYS HD2 H 1 0.793 0.000 . . . . . . A 224 LYS HD2 . 34347 1 2057 . 1 1 224 224 LYS HD3 H 1 0.793 0.000 . . . . . . A 224 LYS HD3 . 34347 1 2058 . 1 1 224 224 LYS HE2 H 1 2.888 0.000 . . . . . . A 224 LYS HE2 . 34347 1 2059 . 1 1 224 224 LYS HE3 H 1 2.888 0.000 . . . . . . A 224 LYS HE3 . 34347 1 2060 . 1 1 224 224 LYS C C 13 179.170 0.031 . . . . . . A 224 LYS C . 34347 1 2061 . 1 1 224 224 LYS CA C 13 58.444 0.222 . . . . . . A 224 LYS CA . 34347 1 2062 . 1 1 224 224 LYS CB C 13 30.709 0.000 . . . . . . A 224 LYS CB . 34347 1 2063 . 1 1 224 224 LYS CG C 13 24.100 0.000 . . . . . . A 224 LYS CG . 34347 1 2064 . 1 1 224 224 LYS CD C 13 27.300 0.000 . . . . . . A 224 LYS CD . 34347 1 2065 . 1 1 224 224 LYS CE C 13 41.300 0.000 . . . . . . A 224 LYS CE . 34347 1 2066 . 1 1 224 224 LYS N N 15 115.053 0.280 . . . . . . A 224 LYS N . 34347 1 2067 . 1 1 225 225 PHE H H 1 7.124 0.019 . . . . . . A 225 PHE H . 34347 1 2068 . 1 1 225 225 PHE HA H 1 3.762 0.000 . . . . . . A 225 PHE HA . 34347 1 2069 . 1 1 225 225 PHE HB2 H 1 2.707 0.000 . . . . . . A 225 PHE HB2 . 34347 1 2070 . 1 1 225 225 PHE HB3 H 1 2.707 0.000 . . . . . . A 225 PHE HB3 . 34347 1 2071 . 1 1 225 225 PHE C C 13 175.600 0.000 . . . . . . A 225 PHE C . 34347 1 2072 . 1 1 225 225 PHE CA C 13 58.875 0.278 . . . . . . A 225 PHE CA . 34347 1 2073 . 1 1 225 225 PHE CB C 13 33.439 0.000 . . . . . . A 225 PHE CB . 34347 1 2074 . 1 1 225 225 PHE N N 15 118.858 0.551 . . . . . . A 225 PHE N . 34347 1 2075 . 1 1 226 226 ARG H H 1 6.628 0.031 . . . . . . A 226 ARG H . 34347 1 2076 . 1 1 226 226 ARG HA H 1 4.325 0.056 . . . . . . A 226 ARG HA . 34347 1 2077 . 1 1 226 226 ARG HB2 H 1 1.933 0.000 . . . . . . A 226 ARG HB2 . 34347 1 2078 . 1 1 226 226 ARG HB3 H 1 1.933 0.000 . . . . . . A 226 ARG HB3 . 34347 1 2079 . 1 1 226 226 ARG HG2 H 1 0.903 0.000 . . . . . . A 226 ARG HG2 . 34347 1 2080 . 1 1 226 226 ARG HG3 H 1 0.903 0.000 . . . . . . A 226 ARG HG3 . 34347 1 2081 . 1 1 226 226 ARG HD2 H 1 3.182 0.000 . . . . . . A 226 ARG HD2 . 34347 1 2082 . 1 1 226 226 ARG HD3 H 1 3.182 0.000 . . . . . . A 226 ARG HD3 . 34347 1 2083 . 1 1 226 226 ARG HE H 1 7.010 0.000 . . . . . . A 226 ARG HE . 34347 1 2084 . 1 1 226 226 ARG C C 13 174.585 0.015 . . . . . . A 226 ARG C . 34347 1 2085 . 1 1 226 226 ARG CA C 13 56.582 0.357 . . . . . . A 226 ARG CA . 34347 1 2086 . 1 1 226 226 ARG CB C 13 29.000 0.000 . . . . . . A 226 ARG CB . 34347 1 2087 . 1 1 226 226 ARG CG C 13 29.200 0.000 . . . . . . A 226 ARG CG . 34347 1 2088 . 1 1 226 226 ARG CD C 13 44.400 0.000 . . . . . . A 226 ARG CD . 34347 1 2089 . 1 1 226 226 ARG CZ C 13 158.900 0.000 . . . . . . A 226 ARG CZ . 34347 1 2090 . 1 1 226 226 ARG N N 15 108.987 0.255 . . . . . . A 226 ARG N . 34347 1 2091 . 1 1 227 227 LYS H H 1 6.782 0.020 . . . . . . A 227 LYS H . 34347 1 2092 . 1 1 227 227 LYS HA H 1 4.350 0.075 . . . . . . A 227 LYS HA . 34347 1 2093 . 1 1 227 227 LYS HB2 H 1 1.805 0.000 . . . . . . A 227 LYS HB2 . 34347 1 2094 . 1 1 227 227 LYS HB3 H 1 1.805 0.000 . . . . . . A 227 LYS HB3 . 34347 1 2095 . 1 1 227 227 LYS HG2 H 1 0.958 0.000 . . . . . . A 227 LYS HG2 . 34347 1 2096 . 1 1 227 227 LYS HG3 H 1 0.719 0.000 . . . . . . A 227 LYS HG3 . 34347 1 2097 . 1 1 227 227 LYS HD2 H 1 1.566 0.000 . . . . . . A 227 LYS HD2 . 34347 1 2098 . 1 1 227 227 LYS HD3 H 1 1.566 0.000 . . . . . . A 227 LYS HD3 . 34347 1 2099 . 1 1 227 227 LYS HE2 H 1 3.201 0.000 . . . . . . A 227 LYS HE2 . 34347 1 2100 . 1 1 227 227 LYS HE3 H 1 3.201 0.000 . . . . . . A 227 LYS HE3 . 34347 1 2101 . 1 1 227 227 LYS C C 13 177.847 0.000 . . . . . . A 227 LYS C . 34347 1 2102 . 1 1 227 227 LYS CA C 13 54.972 0.181 . . . . . . A 227 LYS CA . 34347 1 2103 . 1 1 227 227 LYS CB C 13 31.900 0.000 . . . . . . A 227 LYS CB . 34347 1 2104 . 1 1 227 227 LYS CG C 13 23.900 0.000 . . . . . . A 227 LYS CG . 34347 1 2105 . 1 1 227 227 LYS CD C 13 27.900 0.000 . . . . . . A 227 LYS CD . 34347 1 2106 . 1 1 227 227 LYS CE C 13 41.400 0.000 . . . . . . A 227 LYS CE . 34347 1 2107 . 1 1 227 227 LYS N N 15 113.587 0.105 . . . . . . A 227 LYS N . 34347 1 2108 . 1 1 228 228 LEU H H 1 7.142 0.025 . . . . . . A 228 LEU H . 34347 1 2109 . 1 1 228 228 LEU HA H 1 4.160 0.029 . . . . . . A 228 LEU HA . 34347 1 2110 . 1 1 228 228 LEU HB2 H 1 1.787 0.000 . . . . . . A 228 LEU HB2 . 34347 1 2111 . 1 1 228 228 LEU HB3 H 1 1.787 0.000 . . . . . . A 228 LEU HB3 . 34347 1 2112 . 1 1 228 228 LEU HG H 1 1.621 0.000 . . . . . . A 228 LEU HG . 34347 1 2113 . 1 1 228 228 LEU HD21 H 1 0.905 0.000 . . . . . . A 228 LEU HD21 . 34347 1 2114 . 1 1 228 228 LEU HD22 H 1 0.905 0.000 . . . . . . A 228 LEU HD22 . 34347 1 2115 . 1 1 228 228 LEU HD23 H 1 0.905 0.000 . . . . . . A 228 LEU HD23 . 34347 1 2116 . 1 1 228 228 LEU C C 13 175.746 0.000 . . . . . . A 228 LEU C . 34347 1 2117 . 1 1 228 228 LEU CA C 13 55.132 0.070 . . . . . . A 228 LEU CA . 34347 1 2118 . 1 1 228 228 LEU CB C 13 43.000 0.000 . . . . . . A 228 LEU CB . 34347 1 2119 . 1 1 228 228 LEU CG C 13 27.900 0.000 . . . . . . A 228 LEU CG . 34347 1 2120 . 1 1 228 228 LEU CD1 C 13 26.300 0.000 . . . . . . A 228 LEU CD1 . 34347 1 2121 . 1 1 228 228 LEU CD2 C 13 24.700 0.000 . . . . . . A 228 LEU CD2 . 34347 1 2122 . 1 1 228 228 LEU N N 15 118.777 0.231 . . . . . . A 228 LEU N . 34347 1 2123 . 1 1 229 229 ASN H H 1 8.882 0.034 . . . . . . A 229 ASN H . 34347 1 2124 . 1 1 229 229 ASN HA H 1 4.351 0.203 . . . . . . A 229 ASN HA . 34347 1 2125 . 1 1 229 229 ASN HB2 H 1 2.870 0.000 . . . . . . A 229 ASN HB2 . 34347 1 2126 . 1 1 229 229 ASN HB3 H 1 2.870 0.000 . . . . . . A 229 ASN HB3 . 34347 1 2127 . 1 1 229 229 ASN C C 13 174.079 0.000 . . . . . . A 229 ASN C . 34347 1 2128 . 1 1 229 229 ASN CA C 13 51.113 0.363 . . . . . . A 229 ASN CA . 34347 1 2129 . 1 1 229 229 ASN CB C 13 41.100 0.000 . . . . . . A 229 ASN CB . 34347 1 2130 . 1 1 229 229 ASN N N 15 118.316 0.135 . . . . . . A 229 ASN N . 34347 1 2131 . 1 1 230 230 PHE H H 1 8.795 0.032 . . . . . . A 230 PHE H . 34347 1 2132 . 1 1 230 230 PHE HA H 1 4.473 0.151 . . . . . . A 230 PHE HA . 34347 1 2133 . 1 1 230 230 PHE HB2 H 1 2.999 0.000 . . . . . . A 230 PHE HB2 . 34347 1 2134 . 1 1 230 230 PHE HB3 H 1 2.999 0.000 . . . . . . A 230 PHE HB3 . 34347 1 2135 . 1 1 230 230 PHE C C 13 176.400 0.000 . . . . . . A 230 PHE C . 34347 1 2136 . 1 1 230 230 PHE CA C 13 59.114 0.277 . . . . . . A 230 PHE CA . 34347 1 2137 . 1 1 230 230 PHE CB C 13 40.339 0.000 . . . . . . A 230 PHE CB . 34347 1 2138 . 1 1 230 230 PHE N N 15 116.778 0.027 . . . . . . A 230 PHE N . 34347 1 2139 . 1 1 231 231 ASN H H 1 8.159 0.011 . . . . . . A 231 ASN H . 34347 1 2140 . 1 1 231 231 ASN HA H 1 4.700 0.000 . . . . . . A 231 ASN HA . 34347 1 2141 . 1 1 231 231 ASN HB2 H 1 2.852 0.000 . . . . . . A 231 ASN HB2 . 34347 1 2142 . 1 1 231 231 ASN HB3 H 1 2.852 0.000 . . . . . . A 231 ASN HB3 . 34347 1 2143 . 1 1 231 231 ASN C C 13 175.500 0.000 . . . . . . A 231 ASN C . 34347 1 2144 . 1 1 231 231 ASN CA C 13 52.269 0.253 . . . . . . A 231 ASN CA . 34347 1 2145 . 1 1 231 231 ASN CB C 13 40.800 0.000 . . . . . . A 231 ASN CB . 34347 1 2146 . 1 1 231 231 ASN N N 15 110.389 0.102 . . . . . . A 231 ASN N . 34347 1 2147 . 1 1 232 232 GLY H H 1 8.715 0.076 . . . . . . A 232 GLY H . 34347 1 2148 . 1 1 232 232 GLY HA2 H 1 3.807 0.000 . . . . . . A 232 GLY HA2 . 34347 1 2149 . 1 1 232 232 GLY C C 13 174.084 0.000 . . . . . . A 232 GLY C . 34347 1 2150 . 1 1 232 232 GLY CA C 13 43.850 0.228 . . . . . . A 232 GLY CA . 34347 1 2151 . 1 1 232 232 GLY N N 15 104.219 0.187 . . . . . . A 232 GLY N . 34347 1 2152 . 1 1 233 233 GLU H H 1 8.401 0.022 . . . . . . A 233 GLU H . 34347 1 2153 . 1 1 233 233 GLU HA H 1 4.061 0.000 . . . . . . A 233 GLU HA . 34347 1 2154 . 1 1 233 233 GLU HB2 H 1 1.915 0.000 . . . . . . A 233 GLU HB2 . 34347 1 2155 . 1 1 233 233 GLU HB3 H 1 1.639 0.000 . . . . . . A 233 GLU HB3 . 34347 1 2156 . 1 1 233 233 GLU HG2 H 1 2.025 0.000 . . . . . . A 233 GLU HG2 . 34347 1 2157 . 1 1 233 233 GLU HG3 H 1 2.025 0.000 . . . . . . A 233 GLU HG3 . 34347 1 2158 . 1 1 233 233 GLU C C 13 176.692 0.000 . . . . . . A 233 GLU C . 34347 1 2159 . 1 1 233 233 GLU CA C 13 57.257 0.252 . . . . . . A 233 GLU CA . 34347 1 2160 . 1 1 233 233 GLU CB C 13 28.717 0.000 . . . . . . A 233 GLU CB . 34347 1 2161 . 1 1 233 233 GLU CG C 13 35.600 0.000 . . . . . . A 233 GLU CG . 34347 1 2162 . 1 1 233 233 GLU N N 15 121.666 0.057 . . . . . . A 233 GLU N . 34347 1 2163 . 1 1 234 234 GLY H H 1 9.123 0.000 . . . . . . A 234 GLY H . 34347 1 2164 . 1 1 234 234 GLY HA2 H 1 3.785 0.000 . . . . . . A 234 GLY HA2 . 34347 1 2165 . 1 1 234 234 GLY HA3 H 1 3.811 0.000 . . . . . . A 234 GLY HA3 . 34347 1 2166 . 1 1 234 234 GLY C C 13 173.600 0.000 . . . . . . A 234 GLY C . 34347 1 2167 . 1 1 234 234 GLY CA C 13 44.900 0.000 . . . . . . A 234 GLY CA . 34347 1 2168 . 1 1 234 234 GLY N N 15 112.674 0.000 . . . . . . A 234 GLY N . 34347 1 2169 . 1 1 235 235 GLU H H 1 7.374 0.000 . . . . . . A 235 GLU H . 34347 1 2170 . 1 1 235 235 GLU HA H 1 4.163 0.000 . . . . . . A 235 GLU HA . 34347 1 2171 . 1 1 235 235 GLU HB2 H 1 1.952 0.000 . . . . . . A 235 GLU HB2 . 34347 1 2172 . 1 1 235 235 GLU HB3 H 1 1.952 0.000 . . . . . . A 235 GLU HB3 . 34347 1 2173 . 1 1 235 235 GLU HG2 H 1 2.099 0.000 . . . . . . A 235 GLU HG2 . 34347 1 2174 . 1 1 235 235 GLU HG3 H 1 2.099 0.000 . . . . . . A 235 GLU HG3 . 34347 1 2175 . 1 1 235 235 GLU C C 13 173.017 0.000 . . . . . . A 235 GLU C . 34347 1 2176 . 1 1 235 235 GLU CA C 13 50.583 0.007 . . . . . . A 235 GLU CA . 34347 1 2177 . 1 1 235 235 GLU CG C 13 35.800 0.000 . . . . . . A 235 GLU CG . 34347 1 2178 . 1 1 235 235 GLU N N 15 119.649 0.000 . . . . . . A 235 GLU N . 34347 1 2179 . 1 1 236 236 PRO CA C 13 62.900 0.000 . . . . . . A 236 PRO CA . 34347 1 2180 . 1 1 236 236 PRO CB C 13 30.900 0.000 . . . . . . A 236 PRO CB . 34347 1 2181 . 1 1 236 236 PRO CG C 13 27.600 0.000 . . . . . . A 236 PRO CG . 34347 1 2182 . 1 1 236 236 PRO CD C 13 49.700 0.000 . . . . . . A 236 PRO CD . 34347 1 2183 . 1 1 237 237 GLU H H 1 8.298 0.022 . . . . . . A 237 GLU H . 34347 1 2184 . 1 1 237 237 GLU HA H 1 4.285 0.120 . . . . . . A 237 GLU HA . 34347 1 2185 . 1 1 237 237 GLU HB2 H 1 1.879 0.000 . . . . . . A 237 GLU HB2 . 34347 1 2186 . 1 1 237 237 GLU HB3 H 1 1.879 0.000 . . . . . . A 237 GLU HB3 . 34347 1 2187 . 1 1 237 237 GLU HG2 H 1 1.989 0.000 . . . . . . A 237 GLU HG2 . 34347 1 2188 . 1 1 237 237 GLU HG3 H 1 1.989 0.000 . . . . . . A 237 GLU HG3 . 34347 1 2189 . 1 1 237 237 GLU C C 13 176.106 0.083 . . . . . . A 237 GLU C . 34347 1 2190 . 1 1 237 237 GLU CA C 13 53.978 0.306 . . . . . . A 237 GLU CA . 34347 1 2191 . 1 1 237 237 GLU CB C 13 34.030 0.000 . . . . . . A 237 GLU CB . 34347 1 2192 . 1 1 237 237 GLU CG C 13 36.200 0.000 . . . . . . A 237 GLU CG . 34347 1 2193 . 1 1 237 237 GLU N N 15 122.415 0.220 . . . . . . A 237 GLU N . 34347 1 2194 . 1 1 238 238 GLU H H 1 8.972 0.059 . . . . . . A 238 GLU H . 34347 1 2195 . 1 1 238 238 GLU HA H 1 4.657 0.020 . . . . . . A 238 GLU HA . 34347 1 2196 . 1 1 238 238 GLU HB2 H 1 1.989 0.000 . . . . . . A 238 GLU HB2 . 34347 1 2197 . 1 1 238 238 GLU HB3 H 1 1.989 0.000 . . . . . . A 238 GLU HB3 . 34347 1 2198 . 1 1 238 238 GLU HG2 H 1 2.283 0.000 . . . . . . A 238 GLU HG2 . 34347 1 2199 . 1 1 238 238 GLU HG3 H 1 2.283 0.000 . . . . . . A 238 GLU HG3 . 34347 1 2200 . 1 1 238 238 GLU C C 13 174.678 0.000 . . . . . . A 238 GLU C . 34347 1 2201 . 1 1 238 238 GLU CA C 13 56.727 0.158 . . . . . . A 238 GLU CA . 34347 1 2202 . 1 1 238 238 GLU CB C 13 36.760 0.000 . . . . . . A 238 GLU CB . 34347 1 2203 . 1 1 238 238 GLU CG C 13 36.200 0.000 . . . . . . A 238 GLU CG . 34347 1 2204 . 1 1 238 238 GLU N N 15 128.790 0.044 . . . . . . A 238 GLU N . 34347 1 2205 . 1 1 239 239 LEU H H 1 8.748 0.015 . . . . . . A 239 LEU H . 34347 1 2206 . 1 1 239 239 LEU HA H 1 5.329 0.000 . . . . . . A 239 LEU HA . 34347 1 2207 . 1 1 239 239 LEU HB2 H 1 1.713 0.000 . . . . . . A 239 LEU HB2 . 34347 1 2208 . 1 1 239 239 LEU HB3 H 1 1.713 0.000 . . . . . . A 239 LEU HB3 . 34347 1 2209 . 1 1 239 239 LEU HG H 1 1.547 0.000 . . . . . . A 239 LEU HG . 34347 1 2210 . 1 1 239 239 LEU HD21 H 1 0.885 0.000 . . . . . . A 239 LEU HD21 . 34347 1 2211 . 1 1 239 239 LEU HD22 H 1 0.885 0.000 . . . . . . A 239 LEU HD22 . 34347 1 2212 . 1 1 239 239 LEU HD23 H 1 0.885 0.000 . . . . . . A 239 LEU HD23 . 34347 1 2213 . 1 1 239 239 LEU C C 13 174.731 0.000 . . . . . . A 239 LEU C . 34347 1 2214 . 1 1 239 239 LEU CA C 13 53.717 0.278 . . . . . . A 239 LEU CA . 34347 1 2215 . 1 1 239 239 LEU CB C 13 41.408 0.000 . . . . . . A 239 LEU CB . 34347 1 2216 . 1 1 239 239 LEU CG C 13 26.300 0.000 . . . . . . A 239 LEU CG . 34347 1 2217 . 1 1 239 239 LEU CD1 C 13 24.300 0.000 . . . . . . A 239 LEU CD1 . 34347 1 2218 . 1 1 239 239 LEU CD2 C 13 22.122 0.000 . . . . . . A 239 LEU CD2 . 34347 1 2219 . 1 1 239 239 LEU N N 15 125.897 0.054 . . . . . . A 239 LEU N . 34347 1 2220 . 1 1 240 240 MET H H 1 8.614 0.010 . . . . . . A 240 MET H . 34347 1 2221 . 1 1 240 240 MET HA H 1 2.114 0.000 . . . . . . A 240 MET HA . 34347 1 2222 . 1 1 240 240 MET HB2 H 1 2.007 0.000 . . . . . . A 240 MET HB2 . 34347 1 2223 . 1 1 240 240 MET HB3 H 1 2.007 0.000 . . . . . . A 240 MET HB3 . 34347 1 2224 . 1 1 240 240 MET HG2 H 1 1.639 0.000 . . . . . . A 240 MET HG2 . 34347 1 2225 . 1 1 240 240 MET HG3 H 1 1.639 0.000 . . . . . . A 240 MET HG3 . 34347 1 2226 . 1 1 240 240 MET C C 13 175.954 0.124 . . . . . . A 240 MET C . 34347 1 2227 . 1 1 240 240 MET CA C 13 53.477 0.195 . . . . . . A 240 MET CA . 34347 1 2228 . 1 1 240 240 MET CB C 13 31.200 0.000 . . . . . . A 240 MET CB . 34347 1 2229 . 1 1 240 240 MET CG C 13 30.400 0.000 . . . . . . A 240 MET CG . 34347 1 2230 . 1 1 240 240 MET N N 15 123.172 0.036 . . . . . . A 240 MET N . 34347 1 2231 . 1 1 241 241 VAL H H 1 6.624 0.021 . . . . . . A 241 VAL H . 34347 1 2232 . 1 1 241 241 VAL HA H 1 3.858 0.015 . . . . . . A 241 VAL HA . 34347 1 2233 . 1 1 241 241 VAL HB H 1 2.118 0.000 . . . . . . A 241 VAL HB . 34347 1 2234 . 1 1 241 241 VAL HG21 H 1 0.866 0.000 . . . . . . A 241 VAL HG21 . 34347 1 2235 . 1 1 241 241 VAL HG22 H 1 0.866 0.000 . . . . . . A 241 VAL HG22 . 34347 1 2236 . 1 1 241 241 VAL HG23 H 1 0.866 0.000 . . . . . . A 241 VAL HG23 . 34347 1 2237 . 1 1 241 241 VAL C C 13 174.257 0.310 . . . . . . A 241 VAL C . 34347 1 2238 . 1 1 241 241 VAL CA C 13 58.317 0.137 . . . . . . A 241 VAL CA . 34347 1 2239 . 1 1 241 241 VAL CB C 13 32.701 0.000 . . . . . . A 241 VAL CB . 34347 1 2240 . 1 1 241 241 VAL CG1 C 13 22.800 0.000 . . . . . . A 241 VAL CG1 . 34347 1 2241 . 1 1 241 241 VAL CG2 C 13 16.700 0.000 . . . . . . A 241 VAL CG2 . 34347 1 2242 . 1 1 241 241 VAL N N 15 114.592 0.211 . . . . . . A 241 VAL N . 34347 1 2243 . 1 1 242 242 ASP H H 1 6.870 0.016 . . . . . . A 242 ASP H . 34347 1 2244 . 1 1 242 242 ASP HA H 1 4.602 0.000 . . . . . . A 242 ASP HA . 34347 1 2245 . 1 1 242 242 ASP HB2 H 1 2.707 0.000 . . . . . . A 242 ASP HB2 . 34347 1 2246 . 1 1 242 242 ASP HB3 H 1 2.707 0.000 . . . . . . A 242 ASP HB3 . 34347 1 2247 . 1 1 242 242 ASP C C 13 174.600 0.000 . . . . . . A 242 ASP C . 34347 1 2248 . 1 1 242 242 ASP CA C 13 55.253 0.359 . . . . . . A 242 ASP CA . 34347 1 2249 . 1 1 242 242 ASP CB C 13 30.783 0.000 . . . . . . A 242 ASP CB . 34347 1 2250 . 1 1 242 242 ASP N N 15 113.548 0.009 . . . . . . A 242 ASP N . 34347 1 2251 . 1 1 243 243 ASN H H 1 8.413 0.020 . . . . . . A 243 ASN H . 34347 1 2252 . 1 1 243 243 ASN HA H 1 4.970 0.000 . . . . . . A 243 ASN HA . 34347 1 2253 . 1 1 243 243 ASN HB2 H 1 3.001 0.000 . . . . . . A 243 ASN HB2 . 34347 1 2254 . 1 1 243 243 ASN HB3 H 1 3.001 0.000 . . . . . . A 243 ASN HB3 . 34347 1 2255 . 1 1 243 243 ASN C C 13 172.834 0.034 . . . . . . A 243 ASN C . 34347 1 2256 . 1 1 243 243 ASN CA C 13 50.027 0.252 . . . . . . A 243 ASN CA . 34347 1 2257 . 1 1 243 243 ASN CB C 13 35.300 0.000 . . . . . . A 243 ASN CB . 34347 1 2258 . 1 1 243 243 ASN N N 15 119.373 0.212 . . . . . . A 243 ASN N . 34347 1 2259 . 1 1 244 244 TRP H H 1 6.428 0.043 . . . . . . A 244 TRP H . 34347 1 2260 . 1 1 244 244 TRP HA H 1 5.130 0.123 . . . . . . A 244 TRP HA . 34347 1 2261 . 1 1 244 244 TRP HB2 H 1 3.112 0.000 . . . . . . A 244 TRP HB2 . 34347 1 2262 . 1 1 244 244 TRP HB3 H 1 3.112 0.000 . . . . . . A 244 TRP HB3 . 34347 1 2263 . 1 1 244 244 TRP C C 13 172.800 0.000 . . . . . . A 244 TRP C . 34347 1 2264 . 1 1 244 244 TRP CA C 13 50.365 0.268 . . . . . . A 244 TRP CA . 34347 1 2265 . 1 1 244 244 TRP CB C 13 32.000 0.000 . . . . . . A 244 TRP CB . 34347 1 2266 . 1 1 244 244 TRP N N 15 114.728 0.643 . . . . . . A 244 TRP N . 34347 1 2267 . 1 1 245 245 ARG H H 1 10.521 0.063 . . . . . . A 245 ARG H . 34347 1 2268 . 1 1 245 245 ARG HA H 1 4.487 0.005 . . . . . . A 245 ARG HA . 34347 1 2269 . 1 1 245 245 ARG HB2 H 1 2.155 0.000 . . . . . . A 245 ARG HB2 . 34347 1 2270 . 1 1 245 245 ARG HB3 H 1 2.155 0.000 . . . . . . A 245 ARG HB3 . 34347 1 2271 . 1 1 245 245 ARG HG2 H 1 1.087 0.000 . . . . . . A 245 ARG HG2 . 34347 1 2272 . 1 1 245 245 ARG HG3 H 1 1.087 0.000 . . . . . . A 245 ARG HG3 . 34347 1 2273 . 1 1 245 245 ARG HD2 H 1 3.553 0.000 . . . . . . A 245 ARG HD2 . 34347 1 2274 . 1 1 245 245 ARG HD3 H 1 3.553 0.000 . . . . . . A 245 ARG HD3 . 34347 1 2275 . 1 1 245 245 ARG C C 13 173.671 0.000 . . . . . . A 245 ARG C . 34347 1 2276 . 1 1 245 245 ARG CA C 13 52.082 0.091 . . . . . . A 245 ARG CA . 34347 1 2277 . 1 1 245 245 ARG CB C 13 31.900 0.000 . . . . . . A 245 ARG CB . 34347 1 2278 . 1 1 245 245 ARG CG C 13 29.878 0.000 . . . . . . A 245 ARG CG . 34347 1 2279 . 1 1 245 245 ARG CD C 13 42.200 0.000 . . . . . . A 245 ARG CD . 34347 1 2280 . 1 1 245 245 ARG CZ C 13 164.300 0.000 . . . . . . A 245 ARG CZ . 34347 1 2281 . 1 1 245 245 ARG N N 15 127.028 0.110 . . . . . . A 245 ARG N . 34347 1 2282 . 1 1 246 246 PRO C C 13 173.241 0.000 . . . . . . A 246 PRO C . 34347 1 2283 . 1 1 246 246 PRO CA C 13 58.452 0.000 . . . . . . A 246 PRO CA . 34347 1 2284 . 1 1 246 246 PRO CB C 13 31.669 0.000 . . . . . . A 246 PRO CB . 34347 1 2285 . 1 1 246 246 PRO CG C 13 27.100 0.000 . . . . . . A 246 PRO CG . 34347 1 2286 . 1 1 246 246 PRO CD C 13 49.900 0.000 . . . . . . A 246 PRO CD . 34347 1 2287 . 1 1 247 247 ALA H H 1 7.316 0.081 . . . . . . A 247 ALA H . 34347 1 2288 . 1 1 247 247 ALA HA H 1 4.075 0.147 . . . . . . A 247 ALA HA . 34347 1 2289 . 1 1 247 247 ALA HB1 H 1 1.437 0.000 . . . . . . A 247 ALA HB1 . 34347 1 2290 . 1 1 247 247 ALA HB2 H 1 1.437 0.000 . . . . . . A 247 ALA HB2 . 34347 1 2291 . 1 1 247 247 ALA HB3 H 1 1.437 0.000 . . . . . . A 247 ALA HB3 . 34347 1 2292 . 1 1 247 247 ALA C C 13 176.702 0.000 . . . . . . A 247 ALA C . 34347 1 2293 . 1 1 247 247 ALA CA C 13 52.893 0.154 . . . . . . A 247 ALA CA . 34347 1 2294 . 1 1 247 247 ALA CB C 13 18.609 0.000 . . . . . . A 247 ALA CB . 34347 1 2295 . 1 1 247 247 ALA N N 15 119.755 0.187 . . . . . . A 247 ALA N . 34347 1 2296 . 1 1 248 248 GLN H H 1 8.645 0.034 . . . . . . A 248 GLN H . 34347 1 2297 . 1 1 248 248 GLN HA H 1 4.286 0.023 . . . . . . A 248 GLN HA . 34347 1 2298 . 1 1 248 248 GLN HB2 H 1 1.989 0.000 . . . . . . A 248 GLN HB2 . 34347 1 2299 . 1 1 248 248 GLN HB3 H 1 1.989 0.000 . . . . . . A 248 GLN HB3 . 34347 1 2300 . 1 1 248 248 GLN HG2 H 1 2.320 0.000 . . . . . . A 248 GLN HG2 . 34347 1 2301 . 1 1 248 248 GLN HG3 H 1 2.320 0.000 . . . . . . A 248 GLN HG3 . 34347 1 2302 . 1 1 248 248 GLN C C 13 175.586 0.000 . . . . . . A 248 GLN C . 34347 1 2303 . 1 1 248 248 GLN CA C 13 51.151 0.159 . . . . . . A 248 GLN CA . 34347 1 2304 . 1 1 248 248 GLN CB C 13 27.800 0.000 . . . . . . A 248 GLN CB . 34347 1 2305 . 1 1 248 248 GLN CG C 13 33.100 0.000 . . . . . . A 248 GLN CG . 34347 1 2306 . 1 1 248 248 GLN N N 15 121.761 0.059 . . . . . . A 248 GLN N . 34347 1 2307 . 1 1 249 249 PRO C C 13 177.130 0.000 . . . . . . A 249 PRO C . 34347 1 2308 . 1 1 249 249 PRO CA C 13 61.035 0.000 . . . . . . A 249 PRO CA . 34347 1 2309 . 1 1 249 249 PRO CB C 13 31.100 0.000 . . . . . . A 249 PRO CB . 34347 1 2310 . 1 1 249 249 PRO CG C 13 27.500 0.000 . . . . . . A 249 PRO CG . 34347 1 2311 . 1 1 249 249 PRO CD C 13 49.700 0.000 . . . . . . A 249 PRO CD . 34347 1 2312 . 1 1 250 250 LEU H H 1 8.793 0.070 . . . . . . A 250 LEU H . 34347 1 2313 . 1 1 250 250 LEU HA H 1 4.222 0.163 . . . . . . A 250 LEU HA . 34347 1 2314 . 1 1 250 250 LEU HB2 H 1 1.731 0.000 . . . . . . A 250 LEU HB2 . 34347 1 2315 . 1 1 250 250 LEU HB3 H 1 1.731 0.000 . . . . . . A 250 LEU HB3 . 34347 1 2316 . 1 1 250 250 LEU HG H 1 1.547 0.000 . . . . . . A 250 LEU HG . 34347 1 2317 . 1 1 250 250 LEU HD21 H 1 0.848 0.000 . . . . . . A 250 LEU HD21 . 34347 1 2318 . 1 1 250 250 LEU HD22 H 1 0.848 0.000 . . . . . . A 250 LEU HD22 . 34347 1 2319 . 1 1 250 250 LEU HD23 H 1 0.848 0.000 . . . . . . A 250 LEU HD23 . 34347 1 2320 . 1 1 250 250 LEU C C 13 178.500 0.000 . . . . . . A 250 LEU C . 34347 1 2321 . 1 1 250 250 LEU CA C 13 56.773 0.168 . . . . . . A 250 LEU CA . 34347 1 2322 . 1 1 250 250 LEU CB C 13 41.500 0.000 . . . . . . A 250 LEU CB . 34347 1 2323 . 1 1 250 250 LEU CG C 13 26.100 0.000 . . . . . . A 250 LEU CG . 34347 1 2324 . 1 1 250 250 LEU CD1 C 13 24.400 0.000 . . . . . . A 250 LEU CD1 . 34347 1 2325 . 1 1 250 250 LEU CD2 C 13 22.300 0.000 . . . . . . A 250 LEU CD2 . 34347 1 2326 . 1 1 250 250 LEU N N 15 125.986 0.064 . . . . . . A 250 LEU N . 34347 1 2327 . 1 1 251 251 LYS H H 1 9.022 0.016 . . . . . . A 251 LYS H . 34347 1 2328 . 1 1 251 251 LYS HA H 1 4.545 0.049 . . . . . . A 251 LYS HA . 34347 1 2329 . 1 1 251 251 LYS HB2 H 1 1.805 0.000 . . . . . . A 251 LYS HB2 . 34347 1 2330 . 1 1 251 251 LYS HB3 H 1 1.805 0.000 . . . . . . A 251 LYS HB3 . 34347 1 2331 . 1 1 251 251 LYS HG2 H 1 1.363 0.000 . . . . . . A 251 LYS HG2 . 34347 1 2332 . 1 1 251 251 LYS HG3 H 1 1.363 0.000 . . . . . . A 251 LYS HG3 . 34347 1 2333 . 1 1 251 251 LYS HD2 H 1 1.676 0.000 . . . . . . A 251 LYS HD2 . 34347 1 2334 . 1 1 251 251 LYS HD3 H 1 1.676 0.000 . . . . . . A 251 LYS HD3 . 34347 1 2335 . 1 1 251 251 LYS HE2 H 1 3.038 0.000 . . . . . . A 251 LYS HE2 . 34347 1 2336 . 1 1 251 251 LYS HE3 H 1 3.038 0.000 . . . . . . A 251 LYS HE3 . 34347 1 2337 . 1 1 251 251 LYS C C 13 174.581 0.000 . . . . . . A 251 LYS C . 34347 1 2338 . 1 1 251 251 LYS CA C 13 56.877 0.352 . . . . . . A 251 LYS CA . 34347 1 2339 . 1 1 251 251 LYS CB C 13 29.730 0.000 . . . . . . A 251 LYS CB . 34347 1 2340 . 1 1 251 251 LYS CG C 13 25.000 0.000 . . . . . . A 251 LYS CG . 34347 1 2341 . 1 1 251 251 LYS CD C 13 28.500 0.000 . . . . . . A 251 LYS CD . 34347 1 2342 . 1 1 251 251 LYS CE C 13 41.600 0.000 . . . . . . A 251 LYS CE . 34347 1 2343 . 1 1 251 251 LYS N N 15 115.209 0.000 . . . . . . A 251 LYS N . 34347 1 2344 . 1 1 252 252 ASN H H 1 6.617 0.030 . . . . . . A 252 ASN H . 34347 1 2345 . 1 1 252 252 ASN HA H 1 3.454 0.000 . . . . . . A 252 ASN HA . 34347 1 2346 . 1 1 252 252 ASN HB2 H 1 2.927 0.000 . . . . . . A 252 ASN HB2 . 34347 1 2347 . 1 1 252 252 ASN HB3 H 1 2.927 0.000 . . . . . . A 252 ASN HB3 . 34347 1 2348 . 1 1 252 252 ASN CA C 13 58.724 0.252 . . . . . . A 252 ASN CA . 34347 1 2349 . 1 1 252 252 ASN CB C 13 31.280 0.000 . . . . . . A 252 ASN CB . 34347 1 2350 . 1 1 252 252 ASN N N 15 118.198 0.234 . . . . . . A 252 ASN N . 34347 1 2351 . 1 1 253 253 ARG H H 1 7.375 0.035 . . . . . . A 253 ARG H . 34347 1 2352 . 1 1 253 253 ARG HA H 1 4.498 0.013 . . . . . . A 253 ARG HA . 34347 1 2353 . 1 1 253 253 ARG HB2 H 1 2.099 0.000 . . . . . . A 253 ARG HB2 . 34347 1 2354 . 1 1 253 253 ARG HB3 H 1 2.099 0.000 . . . . . . A 253 ARG HB3 . 34347 1 2355 . 1 1 253 253 ARG HG2 H 1 1.787 0.000 . . . . . . A 253 ARG HG2 . 34347 1 2356 . 1 1 253 253 ARG HG3 H 1 1.787 0.000 . . . . . . A 253 ARG HG3 . 34347 1 2357 . 1 1 253 253 ARG HD2 H 1 2.872 0.000 . . . . . . A 253 ARG HD2 . 34347 1 2358 . 1 1 253 253 ARG HD3 H 1 2.872 0.000 . . . . . . A 253 ARG HD3 . 34347 1 2359 . 1 1 253 253 ARG C C 13 175.308 0.000 . . . . . . A 253 ARG C . 34347 1 2360 . 1 1 253 253 ARG CA C 13 55.536 0.148 . . . . . . A 253 ARG CA . 34347 1 2361 . 1 1 253 253 ARG CB C 13 33.050 0.000 . . . . . . A 253 ARG CB . 34347 1 2362 . 1 1 253 253 ARG CG C 13 26.400 0.000 . . . . . . A 253 ARG CG . 34347 1 2363 . 1 1 253 253 ARG CD C 13 44.800 0.000 . . . . . . A 253 ARG CD . 34347 1 2364 . 1 1 253 253 ARG CZ C 13 159.500 0.000 . . . . . . A 253 ARG CZ . 34347 1 2365 . 1 1 253 253 ARG N N 15 118.423 0.291 . . . . . . A 253 ARG N . 34347 1 2366 . 1 1 254 254 GLN H H 1 8.512 0.029 . . . . . . A 254 GLN H . 34347 1 2367 . 1 1 254 254 GLN HA H 1 4.517 0.000 . . . . . . A 254 GLN HA . 34347 1 2368 . 1 1 254 254 GLN HB2 H 1 1.989 0.000 . . . . . . A 254 GLN HB2 . 34347 1 2369 . 1 1 254 254 GLN HB3 H 1 1.989 0.000 . . . . . . A 254 GLN HB3 . 34347 1 2370 . 1 1 254 254 GLN HG2 H 1 2.081 0.000 . . . . . . A 254 GLN HG2 . 34347 1 2371 . 1 1 254 254 GLN HG3 H 1 2.081 0.000 . . . . . . A 254 GLN HG3 . 34347 1 2372 . 1 1 254 254 GLN C C 13 174.500 0.000 . . . . . . A 254 GLN C . 34347 1 2373 . 1 1 254 254 GLN CA C 13 54.100 0.203 . . . . . . A 254 GLN CA . 34347 1 2374 . 1 1 254 254 GLN CB C 13 40.818 0.000 . . . . . . A 254 GLN CB . 34347 1 2375 . 1 1 254 254 GLN CG C 13 33.800 0.000 . . . . . . A 254 GLN CG . 34347 1 2376 . 1 1 254 254 GLN N N 15 117.620 0.000 . . . . . . A 254 GLN N . 34347 1 2377 . 1 1 255 255 ILE H H 1 9.008 0.030 . . . . . . A 255 ILE H . 34347 1 2378 . 1 1 255 255 ILE HA H 1 4.570 0.000 . . . . . . A 255 ILE HA . 34347 1 2379 . 1 1 255 255 ILE HB H 1 1.897 0.000 . . . . . . A 255 ILE HB . 34347 1 2380 . 1 1 255 255 ILE HG12 H 1 1.511 0.000 . . . . . . A 255 ILE HG12 . 34347 1 2381 . 1 1 255 255 ILE HG13 H 1 1.511 0.000 . . . . . . A 255 ILE HG13 . 34347 1 2382 . 1 1 255 255 ILE HG21 H 1 1.216 0.000 . . . . . . A 255 ILE HG21 . 34347 1 2383 . 1 1 255 255 ILE HG22 H 1 1.216 0.000 . . . . . . A 255 ILE HG22 . 34347 1 2384 . 1 1 255 255 ILE HG23 H 1 1.216 0.000 . . . . . . A 255 ILE HG23 . 34347 1 2385 . 1 1 255 255 ILE HD11 H 1 0.738 0.000 . . . . . . A 255 ILE HD11 . 34347 1 2386 . 1 1 255 255 ILE HD12 H 1 0.738 0.000 . . . . . . A 255 ILE HD12 . 34347 1 2387 . 1 1 255 255 ILE HD13 H 1 0.738 0.000 . . . . . . A 255 ILE HD13 . 34347 1 2388 . 1 1 255 255 ILE C C 13 174.761 0.000 . . . . . . A 255 ILE C . 34347 1 2389 . 1 1 255 255 ILE CA C 13 60.622 0.056 . . . . . . A 255 ILE CA . 34347 1 2390 . 1 1 255 255 ILE CB C 13 31.964 0.000 . . . . . . A 255 ILE CB . 34347 1 2391 . 1 1 255 255 ILE CG1 C 13 26.400 0.000 . . . . . . A 255 ILE CG1 . 34347 1 2392 . 1 1 255 255 ILE CG2 C 13 17.600 0.000 . . . . . . A 255 ILE CG2 . 34347 1 2393 . 1 1 255 255 ILE CD1 C 13 13.500 0.000 . . . . . . A 255 ILE CD1 . 34347 1 2394 . 1 1 255 255 ILE N N 15 130.696 0.031 . . . . . . A 255 ILE N . 34347 1 2395 . 1 1 256 256 LYS H H 1 8.745 0.019 . . . . . . A 256 LYS H . 34347 1 2396 . 1 1 256 256 LYS HA H 1 4.160 0.000 . . . . . . A 256 LYS HA . 34347 1 2397 . 1 1 256 256 LYS HB2 H 1 1.750 0.000 . . . . . . A 256 LYS HB2 . 34347 1 2398 . 1 1 256 256 LYS HB3 H 1 1.750 0.000 . . . . . . A 256 LYS HB3 . 34347 1 2399 . 1 1 256 256 LYS HG2 H 1 1.419 0.000 . . . . . . A 256 LYS HG2 . 34347 1 2400 . 1 1 256 256 LYS HG3 H 1 1.419 0.000 . . . . . . A 256 LYS HG3 . 34347 1 2401 . 1 1 256 256 LYS HD2 H 1 1.603 0.000 . . . . . . A 256 LYS HD2 . 34347 1 2402 . 1 1 256 256 LYS HD3 H 1 1.603 0.000 . . . . . . A 256 LYS HD3 . 34347 1 2403 . 1 1 256 256 LYS C C 13 174.944 0.044 . . . . . . A 256 LYS C . 34347 1 2404 . 1 1 256 256 LYS CA C 13 53.700 0.280 . . . . . . A 256 LYS CA . 34347 1 2405 . 1 1 256 256 LYS CB C 13 34.694 0.000 . . . . . . A 256 LYS CB . 34347 1 2406 . 1 1 256 256 LYS CG C 13 24.200 0.000 . . . . . . A 256 LYS CG . 34347 1 2407 . 1 1 256 256 LYS CD C 13 28.500 0.000 . . . . . . A 256 LYS CD . 34347 1 2408 . 1 1 256 256 LYS CE C 13 41.600 0.000 . . . . . . A 256 LYS CE . 34347 1 2409 . 1 1 256 256 LYS N N 15 126.075 0.000 . . . . . . A 256 LYS N . 34347 1 2410 . 1 1 257 257 ALA H H 1 8.642 0.005 . . . . . . A 257 ALA H . 34347 1 2411 . 1 1 257 257 ALA HA H 1 4.894 0.229 . . . . . . A 257 ALA HA . 34347 1 2412 . 1 1 257 257 ALA HB1 H 1 0.774 0.000 . . . . . . A 257 ALA HB1 . 34347 1 2413 . 1 1 257 257 ALA HB2 H 1 0.774 0.000 . . . . . . A 257 ALA HB2 . 34347 1 2414 . 1 1 257 257 ALA HB3 H 1 0.774 0.000 . . . . . . A 257 ALA HB3 . 34347 1 2415 . 1 1 257 257 ALA C C 13 176.244 0.078 . . . . . . A 257 ALA C . 34347 1 2416 . 1 1 257 257 ALA CA C 13 48.926 0.077 . . . . . . A 257 ALA CA . 34347 1 2417 . 1 1 257 257 ALA CB C 13 22.042 0.048 . . . . . . A 257 ALA CB . 34347 1 2418 . 1 1 257 257 ALA N N 15 123.271 0.043 . . . . . . A 257 ALA N . 34347 1 2419 . 1 1 258 258 SER H H 1 8.790 0.040 . . . . . . A 258 SER H . 34347 1 2420 . 1 1 258 258 SER HA H 1 3.972 0.130 . . . . . . A 258 SER HA . 34347 1 2421 . 1 1 258 258 SER HB2 H 1 3.664 0.000 . . . . . . A 258 SER HB2 . 34347 1 2422 . 1 1 258 258 SER HB3 H 1 3.664 0.000 . . . . . . A 258 SER HB3 . 34347 1 2423 . 1 1 258 258 SER C C 13 171.876 0.016 . . . . . . A 258 SER C . 34347 1 2424 . 1 1 258 258 SER CA C 13 58.162 0.181 . . . . . . A 258 SER CA . 34347 1 2425 . 1 1 258 258 SER CB C 13 63.151 0.067 . . . . . . A 258 SER CB . 34347 1 2426 . 1 1 258 258 SER N N 15 115.752 0.088 . . . . . . A 258 SER N . 34347 1 2427 . 1 1 259 259 PHE H H 1 6.669 0.022 . . . . . . A 259 PHE H . 34347 1 2428 . 1 1 259 259 PHE HA H 1 4.781 0.032 . . . . . . A 259 PHE HA . 34347 1 2429 . 1 1 259 259 PHE HB2 H 1 2.467 0.000 . . . . . . A 259 PHE HB2 . 34347 1 2430 . 1 1 259 259 PHE HB3 H 1 2.891 0.000 . . . . . . A 259 PHE HB3 . 34347 1 2431 . 1 1 259 259 PHE C C 13 170.626 0.000 . . . . . . A 259 PHE C . 34347 1 2432 . 1 1 259 259 PHE CA C 13 52.854 0.458 . . . . . . A 259 PHE CA . 34347 1 2433 . 1 1 259 259 PHE CB C 13 41.401 0.006 . . . . . . A 259 PHE CB . 34347 1 2434 . 1 1 259 259 PHE N N 15 117.954 0.107 . . . . . . A 259 PHE N . 34347 1 2435 . 1 1 260 260 LYS H H 1 7.789 0.048 . . . . . . A 260 LYS H . 34347 1 2436 . 1 1 260 260 LYS HA H 1 4.035 0.343 . . . . . . A 260 LYS HA . 34347 1 2437 . 1 1 260 260 LYS HB2 H 1 1.950 0.000 . . . . . . A 260 LYS HB2 . 34347 1 2438 . 1 1 260 260 LYS HB3 H 1 1.950 0.000 . . . . . . A 260 LYS HB3 . 34347 1 2439 . 1 1 260 260 LYS HG2 H 1 0.719 0.000 . . . . . . A 260 LYS HG2 . 34347 1 2440 . 1 1 260 260 LYS HG3 H 1 0.719 0.000 . . . . . . A 260 LYS HG3 . 34347 1 2441 . 1 1 260 260 LYS HD2 H 1 1.124 0.000 . . . . . . A 260 LYS HD2 . 34347 1 2442 . 1 1 260 260 LYS HD3 H 1 1.124 0.000 . . . . . . A 260 LYS HD3 . 34347 1 2443 . 1 1 260 260 LYS HE2 H 1 2.909 0.000 . . . . . . A 260 LYS HE2 . 34347 1 2444 . 1 1 260 260 LYS HE3 H 1 2.909 0.000 . . . . . . A 260 LYS HE3 . 34347 1 2445 . 1 1 260 260 LYS C C 13 170.557 0.000 . . . . . . A 260 LYS C . 34347 1 2446 . 1 1 260 260 LYS CA C 13 56.843 0.137 . . . . . . A 260 LYS CA . 34347 1 2447 . 1 1 260 260 LYS CB C 13 32.775 0.000 . . . . . . A 260 LYS CB . 34347 1 2448 . 1 1 260 260 LYS CG C 13 23.300 0.000 . . . . . . A 260 LYS CG . 34347 1 2449 . 1 1 260 260 LYS CD C 13 28.500 0.000 . . . . . . A 260 LYS CD . 34347 1 2450 . 1 1 260 260 LYS CE C 13 41.356 0.000 . . . . . . A 260 LYS CE . 34347 1 2451 . 1 1 260 260 LYS N N 15 124.149 0.125 . . . . . . A 260 LYS N . 34347 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 34347 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D 1H-13C RFDR' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 1 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 # INAME 1 HC # INAME 2 C # INAME 3 H 1 4.151 54.389 10.484 1 T 9.287e+05 0.00e+00 a 0 0 0 0 0 2 4.199 54.248 10.475 1 T 9.055e+05 0.00e+00 a 0 0 0 0 0 3 -0.923 47.187 10.467 1 T 9.181e+05 0.00e+00 a 0 0 0 0 0 4 2.392 23.081 10.477 1 T 1.029e+06 0.00e+00 a 0 0 0 0 0 5 2.368 41.335 10.453 1 T 1.024e+06 0.00e+00 a 0 0 0 0 0 6 1.921 37.130 10.420 1 T 9.894e+05 0.00e+00 a 0 0 0 0 0 7 0.797 27.214 10.421 1 T 1.105e+06 0.00e+00 a 0 0 0 0 0 8 4.537 56.795 10.408 1 T 9.945e+05 0.00e+00 a 0 0 0 0 0 9 2.911 42.228 10.403 1 T 1.352e+06 0.00e+00 a 0 0 0 0 0 10 2.412 41.483 10.391 1 T 1.063e+06 0.00e+00 a 0 0 0 0 0 11 1.157 30.054 10.370 1 T 9.363e+05 0.00e+00 a 0 0 0 0 0 12 0.795 27.258 10.391 1 T 1.104e+06 0.00e+00 a 0 0 0 0 0 13 8.401 70.152 10.359 1 T 9.434e+05 0.00e+00 a 0 0 0 0 0 14 4.569 56.908 10.353 1 T 1.048e+06 0.00e+00 a 0 0 0 0 0 15 1.601 28.997 10.365 1 T 9.776e+05 0.00e+00 a 0 0 0 0 0 16 1.568 31.286 10.233 1 T 9.925e+05 0.00e+00 a 0 0 0 0 0 17 0.652 25.225 10.237 1 T 1.234e+06 0.00e+00 a 0 0 0 0 0 18 4.071 54.760 10.217 1 T 9.963e+05 0.00e+00 a 0 0 0 0 0 19 4.929 51.903 10.216 1 T 9.952e+05 0.00e+00 a 0 0 0 0 0 20 3.498 64.698 10.178 1 T 9.116e+05 0.00e+00 a 0 0 0 0 0 21 1.600 31.361 10.176 1 T 1.010e+06 0.00e+00 a 0 0 0 0 0 22 4.664 57.838 10.148 1 T 1.441e+06 0.00e+00 a 0 0 0 0 0 23 6.733 52.629 10.159 1 T 1.059e+06 0.00e+00 a 0 0 0 0 0 24 3.405 42.091 10.156 1 T 9.716e+05 0.00e+00 a 0 0 0 0 0 25 1.999 32.408 10.127 1 T 1.086e+06 0.00e+00 a 0 0 0 0 0 26 0.722 68.803 10.099 1 T 9.143e+05 0.00e+00 a 0 0 0 0 0 27 5.070 51.364 10.090 1 T 1.203e+06 0.00e+00 a 0 0 0 0 0 28 -0.085 40.017 10.083 1 T 9.079e+05 0.00e+00 a 0 0 0 0 0 29 2.317 40.562 10.062 1 T 9.346e+05 0.00e+00 a 0 0 0 0 0 30 0.698 25.243 10.070 1 T 1.217e+06 0.00e+00 a 0 0 0 0 0 31 4.737 43.794 10.041 1 T 9.744e+05 0.00e+00 a 0 0 0 0 0 32 1.297 22.561 10.024 1 T 1.422e+06 0.00e+00 a 0 0 0 0 0 33 1.844 27.019 10.013 1 T 1.175e+06 0.00e+00 a 0 0 0 0 0 34 5.300 13.849 10.020 1 T 8.447e+05 0.00e+00 a 0 0 0 0 0 35 1.363 18.553 9.985 1 T 9.764e+05 0.00e+00 a 0 0 0 0 0 36 3.922 55.998 9.877 1 T 1.135e+06 0.00e+00 a 0 0 0 0 0 37 4.348 50.639 9.867 1 T 9.365e+05 0.00e+00 a 0 0 0 0 0 38 1.078 20.813 9.861 1 T 1.123e+06 0.00e+00 a 0 0 0 0 0 39 4.702 55.647 9.849 1 T 1.627e+06 0.00e+00 a 0 0 0 0 0 40 1.484 42.463 9.847 1 T 9.549e+05 0.00e+00 a 0 0 0 0 0 41 4.443 60.447 9.803 1 T 1.740e+06 0.00e+00 a 0 0 0 0 0 42 5.230 51.417 9.795 1 T 1.044e+06 0.00e+00 a 0 0 0 0 0 43 1.796 33.358 9.779 1 T 1.211e+06 0.00e+00 a 0 0 0 0 0 44 0.564 15.501 9.791 1 T 1.012e+06 0.00e+00 a 0 0 0 0 0 45 0.961 41.228 9.770 1 T 9.232e+05 0.00e+00 a 0 0 0 0 0 46 1.377 30.284 9.751 1 T 9.111e+05 0.00e+00 a 0 0 0 0 0 47 0.826 26.491 9.764 1 T 1.288e+06 0.00e+00 a 0 0 0 0 0 48 2.054 32.839 9.732 1 T 1.417e+06 0.00e+00 a 0 0 0 0 0 49 3.187 30.660 9.745 1 T 8.813e+05 0.00e+00 a 0 0 0 0 0 50 0.884 28.730 9.736 1 T 9.657e+05 0.00e+00 a 0 0 0 0 0 51 1.406 30.403 9.702 1 T 9.503e+05 0.00e+00 a 0 0 0 0 0 52 1.031 23.869 9.688 1 T 1.001e+06 0.00e+00 a 0 0 0 0 0 53 0.790 15.853 9.684 1 T 9.024e+05 0.00e+00 a 0 0 0 0 0 54 3.435 58.279 9.668 1 T 1.041e+06 0.00e+00 a 0 0 0 0 0 55 5.994 57.351 9.672 1 T 1.067e+06 0.00e+00 a 0 0 0 0 0 56 5.480 54.232 9.669 1 T 1.023e+06 0.00e+00 a 0 0 0 0 0 57 5.283 55.369 9.630 1 T 1.265e+06 0.00e+00 a 0 0 0 0 0 58 0.644 45.709 9.627 1 T 8.752e+05 0.00e+00 a 0 0 0 0 0 59 3.588 43.717 9.644 1 T 1.028e+06 0.00e+00 a 0 0 0 0 0 60 4.260 61.741 9.624 1 T 1.099e+06 0.00e+00 a 0 0 0 0 0 61 1.962 40.514 9.604 1 T 1.298e+06 0.00e+00 a 0 0 0 0 0 62 0.403 22.560 9.621 1 T 1.173e+06 0.00e+00 a 0 0 0 0 0 63 0.542 32.642 9.582 1 T 9.148e+05 0.00e+00 a 0 0 0 0 0 64 0.516 26.432 9.584 1 T 1.053e+06 0.00e+00 a 0 0 0 0 0 65 5.917 54.164 9.553 1 T 1.032e+06 0.00e+00 a 0 0 0 0 0 66 1.650 39.192 9.557 1 T 9.678e+05 0.00e+00 a 0 0 0 0 0 67 6.727 35.894 9.557 1 T 1.019e+06 0.00e+00 a 0 0 0 0 0 68 1.929 17.406 9.559 1 T 9.809e+05 0.00e+00 a 0 0 0 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8.598e+05 0.00e+00 a 0 0 0 0 0 87 2.484 43.757 9.185 1 T 1.080e+06 0.00e+00 a 0 0 0 0 0 88 0.672 30.793 9.203 1 T 1.039e+06 0.00e+00 a 0 0 0 0 0 89 1.983 47.059 9.159 1 T 9.198e+05 0.00e+00 a 0 0 0 0 0 90 1.716 42.243 9.166 1 T 1.291e+06 0.00e+00 a 0 0 0 0 0 91 -0.913 23.159 9.164 1 T 1.106e+06 0.00e+00 a 0 0 0 0 0 92 3.898 67.958 9.137 1 T 9.291e+05 0.00e+00 a 0 0 0 0 0 93 2.734 52.824 9.145 1 T 1.033e+06 0.00e+00 a 0 0 0 0 0 94 1.844 44.317 9.143 1 T 9.281e+05 0.00e+00 a 0 0 0 0 0 95 4.757 44.207 9.142 1 T 8.885e+05 0.00e+00 a 0 0 0 0 0 96 2.229 35.550 9.148 1 T 2.366e+06 0.00e+00 a 0 0 0 0 0 97 -0.883 23.096 9.151 1 T 1.122e+06 0.00e+00 a 0 0 0 0 0 98 1.930 55.064 9.134 1 T 1.183e+06 0.00e+00 a 0 0 0 0 0 99 5.799 54.895 9.111 1 T 1.028e+06 0.00e+00 a 0 0 0 0 0 100 2.312 54.445 9.126 1 T 9.192e+05 0.00e+00 a 0 0 0 0 0 101 1.673 53.888 9.128 1 T 1.069e+06 0.00e+00 a 0 0 0 0 0 102 2.679 52.600 9.121 1 T 1.056e+06 0.00e+00 a 0 0 0 0 0 103 2.616 44.344 9.124 1 T 9.799e+05 0.00e+00 a 0 0 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6.936 38.894 8.977 1 T 1.081e+06 0.00e+00 a 0 0 0 0 0 122 2.622 37.357 8.968 1 T 1.007e+06 0.00e+00 a 0 0 0 0 0 123 0.313 60.142 8.959 1 T 8.869e+05 0.00e+00 a 0 0 0 0 0 124 3.795 56.358 8.949 1 T 2.766e+06 0.00e+00 a 0 0 0 0 0 125 7.226 49.834 8.942 1 T 1.065e+06 0.00e+00 a 0 0 0 0 0 126 0.785 41.350 8.945 1 T 1.032e+06 0.00e+00 a 0 0 0 0 0 127 -0.580 19.941 8.940 1 T 1.061e+06 0.00e+00 a 0 0 0 0 0 128 4.835 52.641 8.929 1 T 4.436e+06 0.00e+00 a 0 0 0 0 0 129 4.814 41.095 8.917 1 T 9.958e+05 0.00e+00 a 0 0 0 0 0 130 -0.145 19.938 8.916 1 T 1.124e+06 0.00e+00 a 0 0 0 0 0 131 4.527 53.652 8.902 1 T 6.144e+06 0.00e+00 a 0 0 0 0 0 132 1.548 44.628 8.912 1 T 1.121e+06 0.00e+00 a 0 0 0 0 0 133 1.292 42.770 8.904 1 T 1.133e+06 0.00e+00 a 0 0 0 0 0 134 2.953 38.392 8.895 1 T 1.034e+06 0.00e+00 a 0 0 0 0 0 135 2.586 37.852 8.897 1 T 1.003e+06 0.00e+00 a 0 0 0 0 0 136 0.971 14.304 8.889 1 T 1.140e+06 0.00e+00 a 0 0 0 0 0 137 2.310 55.776 8.880 1 T 1.130e+06 0.00e+00 a 0 0 0 0 0 138 7.213 49.948 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9.917e+05 0.00e+00 a 0 0 0 0 0 156 1.389 18.974 8.792 1 T 2.596e+06 0.00e+00 a 0 0 0 0 0 157 0.553 13.847 8.813 1 T 1.427e+06 0.00e+00 a 0 0 0 0 0 158 -0.212 13.685 8.793 1 T 9.532e+05 0.00e+00 a 0 0 0 0 0 159 2.074 53.112 8.784 1 T 1.095e+06 0.00e+00 a 0 0 0 0 0 160 5.052 48.755 8.772 1 T 1.561e+06 0.00e+00 a 0 0 0 0 0 161 0.919 38.380 8.764 1 T 9.638e+05 0.00e+00 a 0 0 0 0 0 162 1.952 30.904 8.786 1 T 3.890e+06 0.00e+00 a 0 0 0 0 0 163 0.718 25.137 8.776 1 T 4.013e+06 0.00e+00 a 0 0 0 0 0 164 5.359 11.269 8.785 1 T 1.113e+06 0.00e+00 a 0 0 0 0 0 165 4.591 67.775 8.764 1 T 1.049e+06 0.00e+00 a 0 0 0 0 0 166 1.837 62.381 8.742 1 T 9.739e+05 0.00e+00 a 0 0 0 0 0 167 4.846 60.807 8.760 1 T 1.803e+06 0.00e+00 a 0 0 0 0 0 168 1.825 58.104 8.743 1 T 9.517e+05 0.00e+00 a 0 0 0 0 0 169 3.969 57.891 8.753 1 T 3.669e+06 0.00e+00 a 0 0 0 0 0 170 2.953 53.080 8.745 1 T 9.930e+05 0.00e+00 a 0 0 0 0 0 171 1.475 39.311 8.746 1 T 1.129e+06 0.00e+00 a 0 0 0 0 0 172 1.515 36.485 8.751 1 T 9.988e+05 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1.200e+06 0.00e+00 a 0 0 0 0 0 242 4.110 56.924 8.307 1 T 4.038e+06 0.00e+00 a 0 0 0 0 0 243 3.776 50.564 8.310 1 T 1.201e+06 0.00e+00 a 0 0 0 0 0 244 9.582 47.257 8.320 1 T 9.133e+05 0.00e+00 a 0 0 0 0 0 245 2.994 45.090 8.313 1 T 9.671e+05 0.00e+00 a 0 0 0 0 0 246 2.274 41.634 8.303 1 T 1.770e+06 0.00e+00 a 0 0 0 0 0 247 2.927 29.955 8.308 1 T 1.022e+06 0.00e+00 a 0 0 0 0 0 248 -0.184 19.652 8.296 1 T 1.428e+06 0.00e+00 a 0 0 0 0 0 249 7.211 49.614 8.280 1 T 1.155e+06 0.00e+00 a 0 0 0 0 0 250 7.166 49.510 8.278 1 T 1.177e+06 0.00e+00 a 0 0 0 0 0 251 3.355 45.011 8.285 1 T 1.452e+06 0.00e+00 a 0 0 0 0 0 252 1.822 43.866 8.288 1 T 9.268e+05 0.00e+00 a 0 0 0 0 0 253 2.993 30.095 8.295 1 T 9.996e+05 0.00e+00 a 0 0 0 0 0 254 3.845 51.010 8.252 1 T 1.192e+06 0.00e+00 a 0 0 0 0 0 255 2.602 35.916 8.271 1 T 1.078e+06 0.00e+00 a 0 0 0 0 0 256 3.180 49.815 8.247 1 T 1.280e+06 0.00e+00 a 0 0 0 0 0 257 2.535 43.711 8.198 1 T 8.985e+05 0.00e+00 a 0 0 0 0 0 258 -0.732 16.973 8.203 1 T 1.002e+06 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1.606e+06 0.00e+00 a 0 0 0 0 0 414 6.751 37.142 7.104 1 T 1.088e+06 0.00e+00 a 0 0 0 0 0 415 0.401 31.458 7.100 1 T 9.843e+05 0.00e+00 a 0 0 0 0 0 416 0.745 25.298 7.102 1 T 4.603e+06 0.00e+00 a 0 0 0 0 0 417 3.340 63.773 7.075 1 T 2.601e+06 0.00e+00 a 0 0 0 0 0 418 4.966 51.008 7.070 1 T 2.506e+06 0.00e+00 a 0 0 0 0 0 419 3.081 49.623 7.082 1 T 2.139e+06 0.00e+00 a 0 0 0 0 0 420 6.200 47.141 7.080 1 T 1.196e+06 0.00e+00 a 0 0 0 0 0 421 2.160 39.342 7.068 1 T 2.111e+06 0.00e+00 a 0 0 0 0 0 422 2.456 53.375 7.046 1 T 1.110e+06 0.00e+00 a 0 0 0 0 0 423 5.479 52.699 7.041 1 T 1.073e+06 0.00e+00 a 0 0 0 0 0 424 4.309 45.281 7.039 1 T 1.093e+06 0.00e+00 a 0 0 0 0 0 425 4.181 43.837 7.050 1 T 1.474e+06 0.00e+00 a 0 0 0 0 0 426 2.196 43.455 7.045 1 T 1.484e+06 0.00e+00 a 0 0 0 0 0 427 0.883 41.632 7.048 1 T 1.170e+06 0.00e+00 a 0 0 0 0 0 428 -0.364 31.139 7.039 1 T 1.119e+06 0.00e+00 a 0 0 0 0 0 429 -0.293 12.968 7.047 1 T 1.029e+06 0.00e+00 a 0 0 0 0 0 430 3.471 70.336 7.033 1 T 9.630e+05 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1.001e+06 0.00e+00 a 0 0 0 0 0 1134 6.368 35.632 0.816 1 T 9.878e+05 0.00e+00 a 0 0 0 0 0 1135 3.893 32.522 0.802 1 T 1.084e+06 0.00e+00 a 0 0 0 0 0 1136 3.980 61.178 0.781 1 T 6.884e+06 0.00e+00 a 0 0 0 0 0 1137 3.820 59.887 0.786 1 T 6.345e+06 0.00e+00 a 0 0 0 0 0 1138 9.028 52.340 0.782 1 T 9.161e+05 0.00e+00 a 0 0 0 0 0 1139 7.078 49.812 0.789 1 T 2.969e+06 0.00e+00 a 0 0 0 0 0 1140 8.457 45.755 0.787 1 T 9.552e+05 0.00e+00 a 0 0 0 0 0 1141 3.013 32.189 0.794 1 T 1.851e+06 0.00e+00 a 0 0 0 0 0 1142 3.709 31.359 0.794 1 T 1.029e+06 0.00e+00 a 0 0 0 0 0 1143 3.348 63.784 0.771 1 T 3.860e+06 0.00e+00 a 0 0 0 0 0 1144 4.491 60.503 0.766 1 T 9.256e+06 0.00e+00 a 0 0 0 0 0 1145 6.689 55.805 0.769 1 T 1.033e+06 0.00e+00 a 0 0 0 0 0 1146 1.770 52.616 0.760 1 T 1.870e+06 0.00e+00 a 0 0 0 0 0 1147 1.059 49.423 0.763 1 T 1.146e+06 0.00e+00 a 0 0 0 0 0 1148 1.305 46.675 0.769 1 T 2.382e+06 0.00e+00 a 0 0 0 0 0 1149 -0.196 42.718 0.764 1 T 9.818e+05 0.00e+00 a 0 0 0 0 0 1150 1.597 41.304 0.771 1 T 7.177e+06 0.00e+00 a 0 0 0 0 0 1151 3.067 31.606 0.755 1 T 1.759e+06 0.00e+00 a 0 0 0 0 0 1152 1.489 26.449 0.759 1 T 2.899e+07 0.00e+00 a 0 0 0 0 0 1153 4.081 62.400 0.729 1 T 6.516e+06 0.00e+00 a 0 0 0 0 0 1154 4.656 61.866 0.753 1 T 6.446e+06 0.00e+00 a 0 0 0 0 0 1155 1.848 57.635 0.730 1 T 1.649e+06 0.00e+00 a 0 0 0 0 0 1156 8.794 52.794 0.732 1 T 1.074e+06 0.00e+00 a 0 0 0 0 0 1157 6.111 52.958 0.742 1 T 1.641e+06 0.00e+00 a 0 0 0 0 0 1158 7.239 52.618 0.737 1 T 1.196e+06 0.00e+00 a 0 0 0 0 0 1159 7.151 40.188 0.734 1 T 1.605e+06 0.00e+00 a 0 0 0 0 0 1160 3.276 38.320 0.739 1 T 1.453e+06 0.00e+00 a 0 0 0 0 0 1161 1.893 36.227 0.734 1 T 7.450e+06 0.00e+00 a 0 0 0 0 0 1162 1.270 35.465 0.741 1 T 2.233e+06 0.00e+00 a 0 0 0 0 0 1163 4.474 33.016 0.734 1 T 1.097e+06 0.00e+00 a 0 0 0 0 0 1164 4.429 32.842 0.735 1 T 1.074e+06 0.00e+00 a 0 0 0 0 0 1165 3.001 32.281 0.735 1 T 1.813e+06 0.00e+00 a 0 0 0 0 0 1166 1.477 31.049 0.730 1 T 9.164e+06 0.00e+00 a 0 0 0 0 0 1167 -0.634 19.757 0.734 1 T 3.478e+06 0.00e+00 a 0 0 0 0 0 1168 3.514 70.614 0.709 1 T 2.073e+06 0.00e+00 a 0 0 0 0 0 1169 4.689 58.239 0.711 1 T 6.845e+06 0.00e+00 a 0 0 0 0 0 1170 5.880 57.253 0.727 1 T 2.121e+06 0.00e+00 a 0 0 0 0 0 1171 5.055 48.691 0.706 1 T 2.904e+06 0.00e+00 a 0 0 0 0 0 1172 7.120 42.677 0.714 1 T 1.172e+06 0.00e+00 a 0 0 0 0 0 1173 7.188 40.020 0.714 1 T 1.599e+06 0.00e+00 a 0 0 0 0 0 1174 6.375 35.753 0.721 1 T 9.739e+05 0.00e+00 a 0 0 0 0 0 1175 2.838 63.683 0.687 1 T 2.802e+06 0.00e+00 a 0 0 0 0 0 1176 5.476 56.261 0.687 1 T 3.501e+06 0.00e+00 a 0 0 0 0 0 1177 6.659 49.443 0.681 1 T 1.976e+06 0.00e+00 a 0 0 0 0 0 1178 3.517 45.481 0.691 1 T 1.642e+06 0.00e+00 a 0 0 0 0 0 1179 7.397 43.433 0.692 1 T 1.562e+06 0.00e+00 a 0 0 0 0 0 1180 7.243 37.786 0.696 1 T 9.026e+05 0.00e+00 a 0 0 0 0 0 1181 3.434 32.996 0.686 1 T 9.958e+05 0.00e+00 a 0 0 0 0 0 1182 3.364 68.559 0.668 1 T 1.213e+06 0.00e+00 a 0 0 0 0 0 1183 1.499 60.187 0.677 1 T 1.618e+06 0.00e+00 a 0 0 0 0 0 1184 1.118 57.748 0.677 1 T 8.819e+05 0.00e+00 a 0 0 0 0 0 1185 2.088 54.397 0.672 1 T 1.728e+06 0.00e+00 a 0 0 0 0 0 1186 4.435 36.812 0.672 1 T 9.768e+05 0.00e+00 a 0 0 0 0 0 1187 3.208 31.214 0.674 1 T 1.568e+06 0.00e+00 a 0 0 0 0 0 1188 6.227 47.030 0.654 1 T 1.649e+06 0.00e+00 a 0 0 0 0 0 1189 6.346 48.737 0.629 1 T 1.392e+06 0.00e+00 a 0 0 0 0 0 1190 7.059 42.486 0.615 1 T 1.238e+06 0.00e+00 a 0 0 0 0 0 1191 4.573 33.271 0.613 1 T 1.066e+06 0.00e+00 a 0 0 0 0 0 1192 -0.765 13.712 0.608 1 T 3.428e+06 0.00e+00 a 0 0 0 0 0 1193 3.290 60.366 0.561 1 T 2.943e+06 0.00e+00 a 0 0 0 0 0 1194 6.512 51.775 0.558 1 T 1.692e+06 0.00e+00 a 0 0 0 0 0 1195 6.382 39.578 0.547 1 T 1.024e+06 0.00e+00 a 0 0 0 0 0 1196 -0.203 15.989 0.538 1 T 3.344e+06 0.00e+00 a 0 0 0 0 0 1197 7.036 42.317 0.524 1 T 1.184e+06 0.00e+00 a 0 0 0 0 0 1198 3.443 40.161 0.517 1 T 9.194e+05 0.00e+00 a 0 0 0 0 0 1199 -0.236 13.245 0.514 1 T 2.988e+06 0.00e+00 a 0 0 0 0 0 1200 4.177 69.923 0.502 1 T 1.994e+06 0.00e+00 a 0 0 0 0 0 1201 3.578 67.274 0.489 1 T 2.305e+06 0.00e+00 a 0 0 0 0 0 1202 1.003 61.124 0.458 1 T 1.028e+06 0.00e+00 a 0 0 0 0 0 1203 2.597 57.170 0.474 1 T 1.213e+06 0.00e+00 a 0 0 0 0 0 1204 1.741 56.543 0.481 1 T 1.418e+06 0.00e+00 a 0 0 0 0 0 1205 7.675 56.298 0.477 1 T 1.129e+06 0.00e+00 a 0 0 0 0 0 1206 1.716 56.490 0.468 1 T 1.380e+06 0.00e+00 a 0 0 0 0 0 1207 6.589 53.809 0.470 1 T 1.262e+06 0.00e+00 a 0 0 0 0 0 1208 7.009 42.274 0.478 1 T 1.151e+06 0.00e+00 a 0 0 0 0 0 1209 6.183 35.480 0.480 1 T 9.645e+05 0.00e+00 a 0 0 0 0 0 1210 2.518 58.616 0.427 1 T 1.089e+06 0.00e+00 a 0 0 0 0 0 1211 6.389 39.387 0.432 1 T 1.063e+06 0.00e+00 a 0 0 0 0 0 1212 3.064 35.504 0.410 1 T 1.056e+06 0.00e+00 a 0 0 0 0 0 1213 0.064 30.292 0.424 1 T 1.230e+06 0.00e+00 a 0 0 0 0 0 1214 0.780 7.689 0.414 1 T 1.035e+06 0.00e+00 a 0 0 0 0 0 1215 1.708 63.017 0.398 1 T 9.777e+05 0.00e+00 a 0 0 0 0 0 1216 2.076 20.121 0.404 1 T 9.337e+05 0.00e+00 a 0 0 0 0 0 1217 3.381 43.405 0.359 1 T 1.377e+06 0.00e+00 a 0 0 0 0 0 1218 4.726 31.107 0.377 1 T 1.012e+06 0.00e+00 a 0 0 0 0 0 1219 -0.298 31.300 0.364 1 T 1.599e+06 0.00e+00 a 0 0 0 0 0 1220 2.507 58.723 0.355 1 T 1.043e+06 0.00e+00 a 0 0 0 0 0 1221 5.852 52.636 0.357 1 T 9.711e+05 0.00e+00 a 0 0 0 0 0 1222 2.959 48.522 0.341 1 T 1.012e+06 0.00e+00 a 0 0 0 0 0 1223 -0.804 25.079 0.336 1 T 9.264e+05 0.00e+00 a 0 0 0 0 0 1224 1.380 63.077 0.330 1 T 1.088e+06 0.00e+00 a 0 0 0 0 0 1225 6.404 53.516 0.331 1 T 1.270e+06 0.00e+00 a 0 0 0 0 0 1226 2.109 49.156 0.316 1 T 9.382e+05 0.00e+00 a 0 0 0 0 0 1227 4.512 40.624 0.332 1 T 1.151e+06 0.00e+00 a 0 0 0 0 0 1228 0.939 38.194 0.329 1 T 1.404e+06 0.00e+00 a 0 0 0 0 0 1229 0.909 57.336 0.183 1 T 1.015e+06 0.00e+00 a 0 0 0 0 0 1230 9.123 7.883 0.173 1 T 9.155e+05 0.00e+00 a 0 0 0 0 0 1231 4.014 42.109 0.147 1 T 1.026e+06 0.00e+00 a 0 0 0 0 0 1232 6.248 49.391 0.119 1 T 9.895e+05 0.00e+00 a 0 0 0 0 0 1233 1.301 46.149 0.007 1 T 9.976e+05 0.00e+00 a 0 0 0 0 0 1234 0.934 59.129 -0.055 1 T 1.035e+06 0.00e+00 a 0 0 0 0 0 1235 0.500 39.753 -0.059 1 T 8.988e+05 0.00e+00 a 0 0 0 0 0 1236 3.196 52.151 -0.071 1 T 9.162e+05 0.00e+00 a 0 0 0 0 0 1237 0.860 33.337 -0.101 1 T 9.832e+05 0.00e+00 a 0 0 0 0 0 1238 1.566 18.254 -0.100 1 T 9.604e+05 0.00e+00 a 0 0 0 0 0 1239 4.882 39.691 -0.141 1 T 8.288e+05 0.00e+00 a 0 0 0 0 0 1240 0.773 45.613 -0.184 1 T 1.202e+06 0.00e+00 a 0 0 0 0 0 1241 1.647 17.995 -0.161 1 T 8.888e+05 0.00e+00 a 0 0 0 0 0 1242 1.397 31.174 -0.199 1 T 2.329e+06 0.00e+00 a 0 0 0 0 0 1243 1.889 34.994 -0.232 1 T 1.508e+06 0.00e+00 a 0 0 0 0 0 1244 5.538 51.537 -0.255 1 T 8.689e+05 0.00e+00 a 0 0 0 0 0 1245 3.815 52.129 -0.281 1 T 9.519e+05 0.00e+00 a 0 0 0 0 0 1246 6.976 39.867 -0.268 1 T 9.181e+05 0.00e+00 a 0 0 0 0 0 1247 1.379 36.461 -0.262 1 T 9.516e+05 0.00e+00 a 0 0 0 0 0 1248 5.285 55.013 -0.293 1 T 1.188e+06 0.00e+00 a 0 0 0 0 0 1249 6.596 51.576 -0.300 1 T 1.178e+06 0.00e+00 a 0 0 0 0 0 1250 4.777 54.694 -0.494 1 T 1.040e+06 0.00e+00 a 0 0 0 0 0 1251 1.927 32.092 -0.541 1 T 1.293e+06 0.00e+00 a 0 0 0 0 0 1252 5.522 55.959 -0.562 1 T 9.130e+05 0.00e+00 a 0 0 0 0 0 1253 7.215 52.807 -0.578 1 T 9.833e+05 0.00e+00 a 0 0 0 0 0 1254 1.947 38.055 -0.612 1 T 1.146e+06 0.00e+00 a 0 0 0 0 0 1255 3.176 66.151 -0.641 1 T 9.164e+05 0.00e+00 a 0 0 0 0 0 1256 1.132 19.880 -0.661 1 T 1.358e+06 0.00e+00 a 0 0 0 0 0 1257 3.940 63.105 -0.695 1 T 9.142e+05 0.00e+00 a 0 0 0 0 0 1258 4.513 60.625 -0.695 1 T 1.190e+06 0.00e+00 a 0 0 0 0 0 1259 0.512 16.276 -0.680 1 T 9.115e+05 0.00e+00 a 0 0 0 0 0 1260 3.973 63.038 -0.710 1 T 9.572e+05 0.00e+00 a 0 0 0 0 0 1261 4.520 60.586 -0.728 1 T 1.126e+06 0.00e+00 a 0 0 0 0 0 1262 5.101 51.981 -0.727 1 T 1.290e+06 0.00e+00 a 0 0 0 0 0 1263 2.475 35.272 -0.735 1 T 1.011e+06 0.00e+00 a 0 0 0 0 0 1264 1.197 22.220 -0.730 1 T 1.513e+06 0.00e+00 a 0 0 0 0 0 1265 3.296 60.209 -0.753 1 T 1.251e+06 0.00e+00 a 0 0 0 0 0 1266 0.407 26.721 -0.768 1 T 1.655e+06 0.00e+00 a 0 0 0 0 0 1267 0.898 18.325 -0.757 1 T 1.569e+06 0.00e+00 a 0 0 0 0 0 1268 0.283 18.273 -0.775 1 T 9.947e+05 0.00e+00 a 0 0 0 0 0 1269 6.473 45.705 -0.786 1 T 1.067e+06 0.00e+00 a 0 0 0 0 0 1270 5.239 7.814 -0.792 1 T 1.102e+06 0.00e+00 a 0 0 0 0 0 1271 4.086 55.060 -0.845 1 T 9.667e+05 0.00e+00 a 0 0 0 0 0 1272 2.888 40.819 -0.871 1 T 2.155e+06 0.00e+00 a 0 0 0 0 0 1273 1.052 18.516 -0.865 1 T 1.684e+06 0.00e+00 a 0 0 0 0 0 1274 5.926 15.554 -0.852 1 T 1.038e+06 0.00e+00 a 0 0 0 0 0 1275 4.139 54.742 -0.876 1 T 9.687e+05 0.00e+00 a 0 0 0 0 0 1276 1.313 19.771 -0.892 1 T 1.352e+06 0.00e+00 a 0 0 0 0 0 1277 8.395 6.900 -0.935 1 T 9.154e+05 0.00e+00 a 0 0 0 0 0 1278 4.756 48.640 -0.950 1 T 9.264e+05 0.00e+00 a 0 0 0 0 0 1279 1.304 42.851 -0.968 1 T 8.786e+05 0.00e+00 a 0 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-aliphatic . aliased 15 ppm . . . 4.76 . . 34347 1 stop_ save_