data_27445 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27445 _Entry.Title ; Backbone Assignment of GII.4 Saga Norovirus Protruding Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-04-10 _Entry.Accession_date 2018-04-10 _Entry.Last_release_date 2018-04-10 _Entry.Original_release_date 2018-04-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Robert Creutznacher . . . . 27445 2 Alvaro Mallagaray . . . . 27445 3 Lena Grimm . . . . 27445 4 Thomas Peters . . . . 27445 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27445 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute of Chemistry and Metabolomics, University of Luebeck' . 27445 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27445 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 767 27445 '15N chemical shifts' 249 27445 '1H chemical shifts' 249 27445 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 . . 2018-09-18 . original BMRB . 27445 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27445 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30071731 _Citation.Full_citation . _Citation.Title ; Fucose-Functionalized Precision Glycomacromolecules Targeting Human Norovirus Capsid Protein. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biomacromolecules _Citation.Journal_name_full Biomacromolecules _Citation.Journal_volume 19 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1526-4602 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 3714 _Citation.Page_last 3724 _Citation.Year 2018 _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 'Katharina Susanne' Bucher K. S. . . 27445 1 2 Hao Yan H. . . . 27445 1 3 Robert Creutznacher R. . . . 27445 1 4 Kerstin Ruoff K. . . . 27445 1 5 Alvaro Mallagaray A. . . . 27445 1 6 Andrea Grafmuller A. . . . 27445 1 7 'Jan Sebastian' Dirks J. S. . . 27445 1 8 Turgay Kilic T. . . . 27445 1 9 Sabrina Weickert S. . . . 27445 1 10 Anna Rubailo A. . . . 27445 1 11 Malte Drescher M. . . . 27445 1 12 Stephan Schmidt S. . . . 27445 1 13 Grant Hansman G. . . . 27445 1 14 Thomas Peters T. . . . 27445 1 15 Charlotte Uetrecht C. . . . 27445 1 16 Laura Hartmann L. . . . 27445 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27445 _Assembly.ID 1 _Assembly.Name 'GII.4 Saga Norovirus Protruding Domain' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 34068.2246 _Assembly.Enzyme_commission_number . _Assembly.Details ; Norovirus protruding domain proteins exist as stable homodimers in solution without measurable exchange of monomer units. The 68 kDa homodimer was studied here. ; _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 'GII.4 Saga Norovirus Protruding Domain, chain 1' 1 $Molecule_1 A . yes native no no . . . 27445 1 2 'GII.4 Saga Norovirus Protruding Domain, chain 2' 1 $Molecule_1 A . yes native no no . . . 27445 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Molecule_1 _Entity.Sf_category entity _Entity.Sf_framecode Molecule_1 _Entity.Entry_ID 27445 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'GII.4 Saga Norovirus Protruding Domain' _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 ; GPGSKPFTVPILTVEEMTNS RFPIPLEKLFTGPSGAFVVQ PQNGRCTTDGVLLGTTQLSP VNICTFRGDVTHIAGSRNYT MNLASLNWNNYDPTEEIPAP LGTPDFVGKIQGLLTQTTKG DGSTRGHKATVYTGSAPFTP KLGSVQFSTDTENDFETHQN TKFTPVGVIQDGSTTHRNEP QQWVLPSYSGRNVHNVHLAP AVAPTFPGEQLLFFRSTMPG CSGYPNMDLDCLLPQEWVQH FYQEAAPAQSDVALLRFVNP DTGRVLFECKLHKSGYVTVA HTGQHDLVIPPNGYFRFDSW VNQFYTLAPM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 310 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'VP1 Protruding Domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 34068.2246 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes GenBank AB447457 . AB447457 . . . . . . . . . . . . . . 27445 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 . GLY . 27445 1 2 . PRO . 27445 1 3 . GLY . 27445 1 4 . SER . 27445 1 5 . LYS . 27445 1 6 . PRO . 27445 1 7 . PHE . 27445 1 8 . THR . 27445 1 9 . VAL . 27445 1 10 . PRO . 27445 1 11 . ILE . 27445 1 12 . LEU . 27445 1 13 . THR . 27445 1 14 . VAL . 27445 1 15 . GLU . 27445 1 16 . GLU . 27445 1 17 . MET . 27445 1 18 . THR . 27445 1 19 . ASN . 27445 1 20 . SER . 27445 1 21 . ARG . 27445 1 22 . PHE . 27445 1 23 . PRO . 27445 1 24 . ILE . 27445 1 25 . PRO . 27445 1 26 . LEU . 27445 1 27 . GLU . 27445 1 28 . LYS . 27445 1 29 . LEU . 27445 1 30 . PHE . 27445 1 31 . THR . 27445 1 32 . GLY . 27445 1 33 . PRO . 27445 1 34 . SER . 27445 1 35 . GLY . 27445 1 36 . ALA . 27445 1 37 . PHE . 27445 1 38 . VAL . 27445 1 39 . VAL . 27445 1 40 . GLN . 27445 1 41 . PRO . 27445 1 42 . GLN . 27445 1 43 . ASN . 27445 1 44 . GLY . 27445 1 45 . ARG . 27445 1 46 . CYS . 27445 1 47 . THR . 27445 1 48 . THR . 27445 1 49 . ASP . 27445 1 50 . GLY . 27445 1 51 . VAL . 27445 1 52 . LEU . 27445 1 53 . LEU . 27445 1 54 . GLY . 27445 1 55 . THR . 27445 1 56 . THR . 27445 1 57 . GLN . 27445 1 58 . LEU . 27445 1 59 . SER . 27445 1 60 . PRO . 27445 1 61 . VAL . 27445 1 62 . ASN . 27445 1 63 . ILE . 27445 1 64 . CYS . 27445 1 65 . THR . 27445 1 66 . PHE . 27445 1 67 . ARG . 27445 1 68 . GLY . 27445 1 69 . ASP . 27445 1 70 . VAL . 27445 1 71 . THR . 27445 1 72 . HIS . 27445 1 73 . ILE . 27445 1 74 . ALA . 27445 1 75 . GLY . 27445 1 76 . SER . 27445 1 77 . ARG . 27445 1 78 . ASN . 27445 1 79 . TYR . 27445 1 80 . THR . 27445 1 81 . MET . 27445 1 82 . ASN . 27445 1 83 . LEU . 27445 1 84 . ALA . 27445 1 85 . SER . 27445 1 86 . LEU . 27445 1 87 . ASN . 27445 1 88 . TRP . 27445 1 89 . ASN . 27445 1 90 . ASN . 27445 1 91 . TYR . 27445 1 92 . ASP . 27445 1 93 . PRO . 27445 1 94 . THR . 27445 1 95 . GLU . 27445 1 96 . GLU . 27445 1 97 . ILE . 27445 1 98 . PRO . 27445 1 99 . ALA . 27445 1 100 . PRO . 27445 1 101 . LEU . 27445 1 102 . GLY . 27445 1 103 . THR . 27445 1 104 . PRO . 27445 1 105 . ASP . 27445 1 106 . PHE . 27445 1 107 . VAL . 27445 1 108 . GLY . 27445 1 109 . LYS . 27445 1 110 . ILE . 27445 1 111 . GLN . 27445 1 112 . GLY . 27445 1 113 . LEU . 27445 1 114 . LEU . 27445 1 115 . THR . 27445 1 116 . GLN . 27445 1 117 . THR . 27445 1 118 . THR . 27445 1 119 . LYS . 27445 1 120 . GLY . 27445 1 121 . ASP . 27445 1 122 . GLY . 27445 1 123 . SER . 27445 1 124 . THR . 27445 1 125 . ARG . 27445 1 126 . GLY . 27445 1 127 . HIS . 27445 1 128 . LYS . 27445 1 129 . ALA . 27445 1 130 . THR . 27445 1 131 . VAL . 27445 1 132 . TYR . 27445 1 133 . THR . 27445 1 134 . GLY . 27445 1 135 . SER . 27445 1 136 . ALA . 27445 1 137 . PRO . 27445 1 138 . PHE . 27445 1 139 . THR . 27445 1 140 . PRO . 27445 1 141 . LYS . 27445 1 142 . LEU . 27445 1 143 . GLY . 27445 1 144 . SER . 27445 1 145 . VAL . 27445 1 146 . GLN . 27445 1 147 . PHE . 27445 1 148 . SER . 27445 1 149 . THR . 27445 1 150 . ASP . 27445 1 151 . THR . 27445 1 152 . GLU . 27445 1 153 . ASN . 27445 1 154 . ASP . 27445 1 155 . PHE . 27445 1 156 . GLU . 27445 1 157 . THR . 27445 1 158 . HIS . 27445 1 159 . GLN . 27445 1 160 . ASN . 27445 1 161 . THR . 27445 1 162 . LYS . 27445 1 163 . PHE . 27445 1 164 . THR . 27445 1 165 . PRO . 27445 1 166 . VAL . 27445 1 167 . GLY . 27445 1 168 . VAL . 27445 1 169 . ILE . 27445 1 170 . GLN . 27445 1 171 . ASP . 27445 1 172 . GLY . 27445 1 173 . SER . 27445 1 174 . THR . 27445 1 175 . THR . 27445 1 176 . HIS . 27445 1 177 . ARG . 27445 1 178 . ASN . 27445 1 179 . GLU . 27445 1 180 . PRO . 27445 1 181 . GLN . 27445 1 182 . GLN . 27445 1 183 . TRP . 27445 1 184 . VAL . 27445 1 185 . LEU . 27445 1 186 . PRO . 27445 1 187 . SER . 27445 1 188 . TYR . 27445 1 189 . SER . 27445 1 190 . GLY . 27445 1 191 . ARG . 27445 1 192 . ASN . 27445 1 193 . VAL . 27445 1 194 . HIS . 27445 1 195 . ASN . 27445 1 196 . VAL . 27445 1 197 . HIS . 27445 1 198 . LEU . 27445 1 199 . ALA . 27445 1 200 . PRO . 27445 1 201 . ALA . 27445 1 202 . VAL . 27445 1 203 . ALA . 27445 1 204 . PRO . 27445 1 205 . THR . 27445 1 206 . PHE . 27445 1 207 . PRO . 27445 1 208 . GLY . 27445 1 209 . GLU . 27445 1 210 . GLN . 27445 1 211 . LEU . 27445 1 212 . LEU . 27445 1 213 . PHE . 27445 1 214 . PHE . 27445 1 215 . ARG . 27445 1 216 . SER . 27445 1 217 . THR . 27445 1 218 . MET . 27445 1 219 . PRO . 27445 1 220 . GLY . 27445 1 221 . CYS . 27445 1 222 . SER . 27445 1 223 . GLY . 27445 1 224 . TYR . 27445 1 225 . PRO . 27445 1 226 . ASN . 27445 1 227 . MET . 27445 1 228 . ASP . 27445 1 229 . LEU . 27445 1 230 . ASP . 27445 1 231 . CYS . 27445 1 232 . LEU . 27445 1 233 . LEU . 27445 1 234 . PRO . 27445 1 235 . GLN . 27445 1 236 . GLU . 27445 1 237 . TRP . 27445 1 238 . VAL . 27445 1 239 . GLN . 27445 1 240 . HIS . 27445 1 241 . PHE . 27445 1 242 . TYR . 27445 1 243 . GLN . 27445 1 244 . GLU . 27445 1 245 . ALA . 27445 1 246 . ALA . 27445 1 247 . PRO . 27445 1 248 . ALA . 27445 1 249 . GLN . 27445 1 250 . SER . 27445 1 251 . ASP . 27445 1 252 . VAL . 27445 1 253 . ALA . 27445 1 254 . LEU . 27445 1 255 . LEU . 27445 1 256 . ARG . 27445 1 257 . PHE . 27445 1 258 . VAL . 27445 1 259 . ASN . 27445 1 260 . PRO . 27445 1 261 . ASP . 27445 1 262 . THR . 27445 1 263 . GLY . 27445 1 264 . ARG . 27445 1 265 . VAL . 27445 1 266 . LEU . 27445 1 267 . PHE . 27445 1 268 . GLU . 27445 1 269 . CYS . 27445 1 270 . LYS . 27445 1 271 . LEU . 27445 1 272 . HIS . 27445 1 273 . LYS . 27445 1 274 . SER . 27445 1 275 . GLY . 27445 1 276 . TYR . 27445 1 277 . VAL . 27445 1 278 . THR . 27445 1 279 . VAL . 27445 1 280 . ALA . 27445 1 281 . HIS . 27445 1 282 . THR . 27445 1 283 . GLY . 27445 1 284 . GLN . 27445 1 285 . HIS . 27445 1 286 . ASP . 27445 1 287 . LEU . 27445 1 288 . VAL . 27445 1 289 . ILE . 27445 1 290 . PRO . 27445 1 291 . PRO . 27445 1 292 . ASN . 27445 1 293 . GLY . 27445 1 294 . TYR . 27445 1 295 . PHE . 27445 1 296 . ARG . 27445 1 297 . PHE . 27445 1 298 . ASP . 27445 1 299 . SER . 27445 1 300 . TRP . 27445 1 301 . VAL . 27445 1 302 . ASN . 27445 1 303 . GLN . 27445 1 304 . PHE . 27445 1 305 . TYR . 27445 1 306 . THR . 27445 1 307 . LEU . 27445 1 308 . ALA . 27445 1 309 . PRO . 27445 1 310 . MET . 27445 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 . GLY 1 1 27445 1 . PRO 2 2 27445 1 . GLY 3 3 27445 1 . SER 4 4 27445 1 . LYS 5 5 27445 1 . PRO 6 6 27445 1 . PHE 7 7 27445 1 . THR 8 8 27445 1 . VAL 9 9 27445 1 . PRO 10 10 27445 1 . ILE 11 11 27445 1 . LEU 12 12 27445 1 . THR 13 13 27445 1 . VAL 14 14 27445 1 . GLU 15 15 27445 1 . GLU 16 16 27445 1 . MET 17 17 27445 1 . THR 18 18 27445 1 . ASN 19 19 27445 1 . SER 20 20 27445 1 . ARG 21 21 27445 1 . PHE 22 22 27445 1 . PRO 23 23 27445 1 . ILE 24 24 27445 1 . PRO 25 25 27445 1 . LEU 26 26 27445 1 . GLU 27 27 27445 1 . LYS 28 28 27445 1 . LEU 29 29 27445 1 . PHE 30 30 27445 1 . THR 31 31 27445 1 . GLY 32 32 27445 1 . PRO 33 33 27445 1 . SER 34 34 27445 1 . GLY 35 35 27445 1 . ALA 36 36 27445 1 . PHE 37 37 27445 1 . VAL 38 38 27445 1 . VAL 39 39 27445 1 . GLN 40 40 27445 1 . PRO 41 41 27445 1 . GLN 42 42 27445 1 . ASN 43 43 27445 1 . GLY 44 44 27445 1 . ARG 45 45 27445 1 . CYS 46 46 27445 1 . THR 47 47 27445 1 . THR 48 48 27445 1 . ASP 49 49 27445 1 . GLY 50 50 27445 1 . VAL 51 51 27445 1 . LEU 52 52 27445 1 . LEU 53 53 27445 1 . GLY 54 54 27445 1 . THR 55 55 27445 1 . THR 56 56 27445 1 . GLN 57 57 27445 1 . LEU 58 58 27445 1 . SER 59 59 27445 1 . PRO 60 60 27445 1 . VAL 61 61 27445 1 . ASN 62 62 27445 1 . ILE 63 63 27445 1 . CYS 64 64 27445 1 . THR 65 65 27445 1 . PHE 66 66 27445 1 . ARG 67 67 27445 1 . GLY 68 68 27445 1 . ASP 69 69 27445 1 . VAL 70 70 27445 1 . THR 71 71 27445 1 . HIS 72 72 27445 1 . ILE 73 73 27445 1 . ALA 74 74 27445 1 . GLY 75 75 27445 1 . SER 76 76 27445 1 . ARG 77 77 27445 1 . ASN 78 78 27445 1 . TYR 79 79 27445 1 . THR 80 80 27445 1 . MET 81 81 27445 1 . ASN 82 82 27445 1 . LEU 83 83 27445 1 . ALA 84 84 27445 1 . SER 85 85 27445 1 . LEU 86 86 27445 1 . ASN 87 87 27445 1 . TRP 88 88 27445 1 . ASN 89 89 27445 1 . ASN 90 90 27445 1 . TYR 91 91 27445 1 . ASP 92 92 27445 1 . PRO 93 93 27445 1 . THR 94 94 27445 1 . GLU 95 95 27445 1 . GLU 96 96 27445 1 . ILE 97 97 27445 1 . PRO 98 98 27445 1 . ALA 99 99 27445 1 . PRO 100 100 27445 1 . LEU 101 101 27445 1 . GLY 102 102 27445 1 . THR 103 103 27445 1 . PRO 104 104 27445 1 . ASP 105 105 27445 1 . PHE 106 106 27445 1 . VAL 107 107 27445 1 . GLY 108 108 27445 1 . LYS 109 109 27445 1 . ILE 110 110 27445 1 . GLN 111 111 27445 1 . GLY 112 112 27445 1 . LEU 113 113 27445 1 . LEU 114 114 27445 1 . THR 115 115 27445 1 . GLN 116 116 27445 1 . THR 117 117 27445 1 . THR 118 118 27445 1 . LYS 119 119 27445 1 . GLY 120 120 27445 1 . ASP 121 121 27445 1 . GLY 122 122 27445 1 . SER 123 123 27445 1 . THR 124 124 27445 1 . ARG 125 125 27445 1 . GLY 126 126 27445 1 . HIS 127 127 27445 1 . LYS 128 128 27445 1 . ALA 129 129 27445 1 . THR 130 130 27445 1 . VAL 131 131 27445 1 . TYR 132 132 27445 1 . THR 133 133 27445 1 . GLY 134 134 27445 1 . SER 135 135 27445 1 . ALA 136 136 27445 1 . PRO 137 137 27445 1 . PHE 138 138 27445 1 . THR 139 139 27445 1 . PRO 140 140 27445 1 . LYS 141 141 27445 1 . LEU 142 142 27445 1 . GLY 143 143 27445 1 . SER 144 144 27445 1 . VAL 145 145 27445 1 . GLN 146 146 27445 1 . PHE 147 147 27445 1 . SER 148 148 27445 1 . THR 149 149 27445 1 . ASP 150 150 27445 1 . THR 151 151 27445 1 . GLU 152 152 27445 1 . ASN 153 153 27445 1 . ASP 154 154 27445 1 . PHE 155 155 27445 1 . GLU 156 156 27445 1 . THR 157 157 27445 1 . HIS 158 158 27445 1 . GLN 159 159 27445 1 . ASN 160 160 27445 1 . THR 161 161 27445 1 . LYS 162 162 27445 1 . PHE 163 163 27445 1 . THR 164 164 27445 1 . PRO 165 165 27445 1 . VAL 166 166 27445 1 . GLY 167 167 27445 1 . VAL 168 168 27445 1 . ILE 169 169 27445 1 . GLN 170 170 27445 1 . ASP 171 171 27445 1 . GLY 172 172 27445 1 . SER 173 173 27445 1 . THR 174 174 27445 1 . THR 175 175 27445 1 . HIS 176 176 27445 1 . ARG 177 177 27445 1 . ASN 178 178 27445 1 . GLU 179 179 27445 1 . PRO 180 180 27445 1 . GLN 181 181 27445 1 . GLN 182 182 27445 1 . TRP 183 183 27445 1 . VAL 184 184 27445 1 . LEU 185 185 27445 1 . PRO 186 186 27445 1 . SER 187 187 27445 1 . TYR 188 188 27445 1 . SER 189 189 27445 1 . GLY 190 190 27445 1 . ARG 191 191 27445 1 . ASN 192 192 27445 1 . VAL 193 193 27445 1 . HIS 194 194 27445 1 . ASN 195 195 27445 1 . VAL 196 196 27445 1 . HIS 197 197 27445 1 . LEU 198 198 27445 1 . ALA 199 199 27445 1 . PRO 200 200 27445 1 . ALA 201 201 27445 1 . VAL 202 202 27445 1 . ALA 203 203 27445 1 . PRO 204 204 27445 1 . THR 205 205 27445 1 . PHE 206 206 27445 1 . PRO 207 207 27445 1 . GLY 208 208 27445 1 . GLU 209 209 27445 1 . GLN 210 210 27445 1 . LEU 211 211 27445 1 . LEU 212 212 27445 1 . PHE 213 213 27445 1 . PHE 214 214 27445 1 . ARG 215 215 27445 1 . SER 216 216 27445 1 . THR 217 217 27445 1 . MET 218 218 27445 1 . PRO 219 219 27445 1 . GLY 220 220 27445 1 . CYS 221 221 27445 1 . SER 222 222 27445 1 . GLY 223 223 27445 1 . TYR 224 224 27445 1 . PRO 225 225 27445 1 . ASN 226 226 27445 1 . MET 227 227 27445 1 . ASP 228 228 27445 1 . LEU 229 229 27445 1 . ASP 230 230 27445 1 . CYS 231 231 27445 1 . LEU 232 232 27445 1 . LEU 233 233 27445 1 . PRO 234 234 27445 1 . GLN 235 235 27445 1 . GLU 236 236 27445 1 . TRP 237 237 27445 1 . VAL 238 238 27445 1 . GLN 239 239 27445 1 . HIS 240 240 27445 1 . PHE 241 241 27445 1 . TYR 242 242 27445 1 . GLN 243 243 27445 1 . GLU 244 244 27445 1 . ALA 245 245 27445 1 . ALA 246 246 27445 1 . PRO 247 247 27445 1 . ALA 248 248 27445 1 . GLN 249 249 27445 1 . SER 250 250 27445 1 . ASP 251 251 27445 1 . VAL 252 252 27445 1 . ALA 253 253 27445 1 . LEU 254 254 27445 1 . LEU 255 255 27445 1 . ARG 256 256 27445 1 . PHE 257 257 27445 1 . VAL 258 258 27445 1 . ASN 259 259 27445 1 . PRO 260 260 27445 1 . ASP 261 261 27445 1 . THR 262 262 27445 1 . GLY 263 263 27445 1 . ARG 264 264 27445 1 . VAL 265 265 27445 1 . LEU 266 266 27445 1 . PHE 267 267 27445 1 . GLU 268 268 27445 1 . CYS 269 269 27445 1 . LYS 270 270 27445 1 . LEU 271 271 27445 1 . HIS 272 272 27445 1 . LYS 273 273 27445 1 . SER 274 274 27445 1 . GLY 275 275 27445 1 . TYR 276 276 27445 1 . VAL 277 277 27445 1 . THR 278 278 27445 1 . VAL 279 279 27445 1 . ALA 280 280 27445 1 . HIS 281 281 27445 1 . THR 282 282 27445 1 . GLY 283 283 27445 1 . GLN 284 284 27445 1 . HIS 285 285 27445 1 . ASP 286 286 27445 1 . LEU 287 287 27445 1 . VAL 288 288 27445 1 . ILE 289 289 27445 1 . PRO 290 290 27445 1 . PRO 291 291 27445 1 . ASN 292 292 27445 1 . GLY 293 293 27445 1 . TYR 294 294 27445 1 . PHE 295 295 27445 1 . ARG 296 296 27445 1 . PHE 297 297 27445 1 . ASP 298 298 27445 1 . SER 299 299 27445 1 . TRP 300 300 27445 1 . VAL 301 301 27445 1 . ASN 302 302 27445 1 . GLN 303 303 27445 1 . PHE 304 304 27445 1 . TYR 305 305 27445 1 . THR 306 306 27445 1 . LEU 307 307 27445 1 . ALA 308 308 27445 1 . PRO 309 309 27445 1 . MET 310 310 27445 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27445 _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 $Molecule_1 . 142786 organism . Norovirus Norovirus . . Viruses . Norovirus . GII.4 'Saga 2006' . . . . . . . . . . . 27445 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 27445 _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 $Molecule_1 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli . . . . . . - . . . 27445 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 27445 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.15 mM NoV protruding domain (homodimer concentration) in 20 mM sodium phosphate buffer, 0.2 mM DSS-d6' _Sample.Aggregate_sample_number . _Sample.Solvent_system '92 % H2O, 8 % 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 'Molecule 1' '[U-13C; U-15N; U-2H]' . . 1 $Molecule_1 . . 0.15 . . mM . . . . 27445 1 2 'sodium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 27445 1 stop_ save_ ####################### # Sample conditions # ####################### save_CondSet1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CondSet1 _Sample_condition_list.Entry_ID 27445 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.300 . pH 27445 1 temperature 298.000 . K 27445 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 27445 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 27445 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Assignment 27445 1 stop_ save_ save_TopSpin _Software.Sf_category software _Software.Sf_framecode TopSpin _Software.Entry_ID 27445 _Software.ID 2 _Software.Type . _Software.Name TopSpin _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 27445 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data Processing' 27445 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 27445 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 27445 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27445 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 500 . . . 27445 1 2 NMR_spectrometer_2 Bruker Avance . 900 . . . 27445 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 27445 _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 HN(CO)CACB' no . . . . . . . . . . 1 $Sample_1 isotropic . . 1 $CondSet1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 27445 1 2 '3D HNCACB' no . . . . . . . . . . 1 $Sample_1 isotropic . . 1 $CondSet1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 27445 1 3 '3D HNCO' no . . . . . . . . . . 1 $Sample_1 isotropic . . 1 $CondSet1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 27445 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $Sample_1 isotropic . . 1 $CondSet1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 27445 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $Sample_1 isotropic . . 1 $CondSet1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 27445 1 6 '3D HNCO' no . . . . . . . . . . 1 $Sample_1 isotropic . . 1 $CondSet1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 27445 1 7 '3D HNCACB' no . . . . . . . . . . 1 $Sample_1 isotropic . . 1 $CondSet1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 27445 1 8 '3D HNCA' no . . . . . . . . . . 1 $Sample_1 isotropic . . 1 $CondSet1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 27445 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $Sample_1 isotropic . . 1 $CondSet1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 27445 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27445 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27445 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27445 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27445 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 27445 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $CondSet1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.08 _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 ; 1H and 15N chemical shift errors have been approximated by the spectral resolution of the 1H,15N-TROSY HSQC experiment used for assignment. 13C chemical shift errors have been derived accordingly from the 3D HNCACB experiment. ; _Assigned_chem_shift_list.Details ; The chemical shifts reported in the deposition were not corrected for deuterium isotope effects. HN and 15N chemical shifts are reported for the TROSY component of each HN multiplet. ; _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 HN(CO)CACB' 1 $Sample_1 isotropic 27445 1 2 '3D HNCACB' 1 $Sample_1 isotropic 27445 1 3 '3D HNCO' 1 $Sample_1 isotropic 27445 1 4 '3D HN(CO)CA' 1 $Sample_1 isotropic 27445 1 5 '3D HN(CA)CO' 1 $Sample_1 isotropic 27445 1 8 '3D HNCA' 1 $Sample_1 isotropic 27445 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 27445 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 2 2 PRO C C 13 177.54 0.3 . 1 . . 1414 . . 2 PRO C . 27445 1 2 . 1 1 2 2 PRO CA C 13 62.795 0.3 . 1 . . 1413 . . 2 PRO CA . 27445 1 3 . 1 1 3 3 GLY H H 1 8.475 0.01 . 1 . . 861 . . 3 GLY H . 27445 1 4 . 1 1 3 3 GLY C C 13 174.063 0.3 . 1 . . 1337 . . 3 GLY C . 27445 1 5 . 1 1 3 3 GLY CA C 13 44.57 0.3 . 1 . . 1336 . . 3 GLY CA . 27445 1 6 . 1 1 3 3 GLY N N 15 110.543 0.08 . 1 . . 862 . . 3 GLY N . 27445 1 7 . 1 1 4 4 SER H H 1 8.076 0.01 . 1 . . 194 . . 4 SER H . 27445 1 8 . 1 1 4 4 SER C C 13 174.066 0.3 . 1 . . 1103 . . 4 SER C . 27445 1 9 . 1 1 4 4 SER CA C 13 57.54 0.3 . 1 . . 1102 . . 4 SER CA . 27445 1 10 . 1 1 4 4 SER CB C 13 63.318 0.3 . 1 . . 1104 . . 4 SER CB . 27445 1 11 . 1 1 4 4 SER N N 15 116.256 0.08 . 1 . . 193 . . 4 SER N . 27445 1 12 . 1 1 5 5 LYS H H 1 8.249 0.01 . 1 . . 311 . . 5 LYS H . 27445 1 13 . 1 1 5 5 LYS CA C 13 54.145 0.3 . 1 . . 1055 . . 5 LYS CA . 27445 1 14 . 1 1 5 5 LYS CB C 13 32.061 0.3 . 1 . . 1412 . . 5 LYS CB . 27445 1 15 . 1 1 5 5 LYS N N 15 126.701 0.08 . 1 . . 312 . . 5 LYS N . 27445 1 16 . 1 1 10 10 PRO C C 13 175.513 0.3 . 1 . . 1424 . . 10 PRO C . 27445 1 17 . 1 1 10 10 PRO CA C 13 62.565 0.3 . 1 . . 1426 . . 10 PRO CA . 27445 1 18 . 1 1 10 10 PRO CB C 13 30.836 0.3 . 1 . . 1425 . . 10 PRO CB . 27445 1 19 . 1 1 11 11 ILE H H 1 7.85 0.01 . 1 . . 339 . . 11 ILE H . 27445 1 20 . 1 1 11 11 ILE C C 13 174.365 0.3 . 1 . . 1344 . . 11 ILE C . 27445 1 21 . 1 1 11 11 ILE CA C 13 60.342 0.3 . 1 . . 1343 . . 11 ILE CA . 27445 1 22 . 1 1 11 11 ILE CB C 13 36.633 0.3 . 1 . . 1345 . . 11 ILE CB . 27445 1 23 . 1 1 11 11 ILE N N 15 115.851 0.08 . 1 . . 340 . . 11 ILE N . 27445 1 24 . 1 1 12 12 LEU H H 1 6.055 0.01 . 1 . . 130 . . 12 LEU H . 27445 1 25 . 1 1 12 12 LEU C C 13 176.504 0.3 . 1 . . 1342 . . 12 LEU C . 27445 1 26 . 1 1 12 12 LEU CA C 13 54.127 0.3 . 1 . . 1340 . . 12 LEU CA . 27445 1 27 . 1 1 12 12 LEU CB C 13 40.682 0.3 . 1 . . 1341 . . 12 LEU CB . 27445 1 28 . 1 1 12 12 LEU N N 15 118.392 0.08 . 1 . . 129 . . 12 LEU N . 27445 1 29 . 1 1 13 13 THR H H 1 8.447 0.01 . 1 . . 431 . . 13 THR H . 27445 1 30 . 1 1 13 13 THR C C 13 176.147 0.3 . 1 . . 1428 . . 13 THR C . 27445 1 31 . 1 1 13 13 THR CA C 13 60.225 0.3 . 1 . . 1380 . . 13 THR CA . 27445 1 32 . 1 1 13 13 THR CB C 13 69.981 0.3 . 1 . . 1427 . . 13 THR CB . 27445 1 33 . 1 1 13 13 THR N N 15 114.529 0.08 . 1 . . 432 . . 13 THR N . 27445 1 34 . 1 1 14 14 VAL H H 1 9.229 0.01 . 1 . . 412 . . 14 VAL H . 27445 1 35 . 1 1 14 14 VAL C C 13 177.215 0.3 . 1 . . 670 . . 14 VAL C . 27445 1 36 . 1 1 14 14 VAL CA C 13 68.363 0.3 . 1 . . 671 . . 14 VAL CA . 27445 1 37 . 1 1 14 14 VAL CB C 13 30.623 0.3 . 1 . . 672 . . 14 VAL CB . 27445 1 38 . 1 1 14 14 VAL N N 15 120.696 0.08 . 1 . . 411 . . 14 VAL N . 27445 1 39 . 1 1 15 15 GLU H H 1 7.99 0.01 . 1 . . 587 . . 15 GLU H . 27445 1 40 . 1 1 15 15 GLU C C 13 177.86 0.3 . 1 . . 1239 . . 15 GLU C . 27445 1 41 . 1 1 15 15 GLU CA C 13 57.043 0.3 . 1 . . 1238 . . 15 GLU CA . 27445 1 42 . 1 1 15 15 GLU CB C 13 28.644 0.3 . 1 . . 1433 . . 15 GLU CB . 27445 1 43 . 1 1 15 15 GLU N N 15 111.328 0.08 . 1 . . 588 . . 15 GLU N . 27445 1 44 . 1 1 16 16 GLU H H 1 7.363 0.01 . 1 . . 555 . . 16 GLU H . 27445 1 45 . 1 1 16 16 GLU C C 13 175.26 0.3 . 1 . . 1229 . . 16 GLU C . 27445 1 46 . 1 1 16 16 GLU CA C 13 55.656 0.3 . 1 . . 1228 . . 16 GLU CA . 27445 1 47 . 1 1 16 16 GLU CB C 13 29.082 0.3 . 1 . . 1230 . . 16 GLU CB . 27445 1 48 . 1 1 16 16 GLU N N 15 118.958 0.08 . 1 . . 556 . . 16 GLU N . 27445 1 49 . 1 1 17 17 MET H H 1 7.293 0.01 . 1 . . 146 . . 17 MET H . 27445 1 50 . 1 1 17 17 MET C C 13 175.677 0.3 . 1 . . 1085 . . 17 MET C . 27445 1 51 . 1 1 17 17 MET CA C 13 55.507 0.3 . 1 . . 1086 . . 17 MET CA . 27445 1 52 . 1 1 17 17 MET CB C 13 37.327 0.3 . 1 . . 1434 . . 17 MET CB . 27445 1 53 . 1 1 17 17 MET N N 15 116.814 0.08 . 1 . . 145 . . 17 MET N . 27445 1 54 . 1 1 18 18 THR H H 1 11.094 0.01 . 1 . . 189 . . 18 THR H . 27445 1 55 . 1 1 18 18 THR C C 13 174.465 0.3 . 1 . . 1435 . . 18 THR C . 27445 1 56 . 1 1 18 18 THR CA C 13 63.039 0.3 . 1 . . 1117 . . 18 THR CA . 27445 1 57 . 1 1 18 18 THR CB C 13 69.007 0.3 . 1 . . 1118 . . 18 THR CB . 27445 1 58 . 1 1 18 18 THR N N 15 122.535 0.08 . 1 . . 190 . . 18 THR N . 27445 1 59 . 1 1 19 19 ASN H H 1 9.026 0.01 . 1 . . 475 . . 19 ASN H . 27445 1 60 . 1 1 19 19 ASN C C 13 172.718 0.3 . 1 . . 1078 . . 19 ASN C . 27445 1 61 . 1 1 19 19 ASN CA C 13 54.579 0.3 . 1 . . 1436 . . 19 ASN CA . 27445 1 62 . 1 1 19 19 ASN CB C 13 37.842 0.3 . 1 . . 1079 . . 19 ASN CB . 27445 1 63 . 1 1 19 19 ASN N N 15 128.985 0.08 . 1 . . 476 . . 19 ASN N . 27445 1 64 . 1 1 20 20 SER H H 1 7.551 0.01 . 1 . . 271 . . 20 SER H . 27445 1 65 . 1 1 20 20 SER C C 13 176.411 0.3 . 1 . . 1386 . . 20 SER C . 27445 1 66 . 1 1 20 20 SER CA C 13 56.695 0.3 . 1 . . 1385 . . 20 SER CA . 27445 1 67 . 1 1 20 20 SER CB C 13 62.747 0.3 . 1 . . 1384 . . 20 SER CB . 27445 1 68 . 1 1 20 20 SER N N 15 115.297 0.08 . 1 . . 272 . . 20 SER N . 27445 1 69 . 1 1 21 21 ARG H H 1 9.7 0.01 . 1 . . 881 . . 21 ARG H . 27445 1 70 . 1 1 21 21 ARG C C 13 174.942 0.3 . 1 . . 1254 . . 21 ARG C . 27445 1 71 . 1 1 21 21 ARG CA C 13 55.508 0.3 . 1 . . 1253 . . 21 ARG CA . 27445 1 72 . 1 1 21 21 ARG CB C 13 32.04 0.3 . 1 . . 1252 . . 21 ARG CB . 27445 1 73 . 1 1 21 21 ARG N N 15 120.105 0.08 . 1 . . 882 . . 21 ARG N . 27445 1 74 . 1 1 22 22 PHE H H 1 7.351 0.01 . 1 . . 436 . . 22 PHE H . 27445 1 75 . 1 1 22 22 PHE C C 13 173.656 0.3 . 1 . . 1437 . . 22 PHE C . 27445 1 76 . 1 1 22 22 PHE CA C 13 57.373 0.3 . 1 . . 1438 . . 22 PHE CA . 27445 1 77 . 1 1 22 22 PHE CB C 13 42.191 0.3 . 1 . . 1439 . . 22 PHE CB . 27445 1 78 . 1 1 22 22 PHE N N 15 121.663 0.08 . 1 . . 435 . . 22 PHE N . 27445 1 79 . 1 1 28 28 LYS H H 1 8.163 0.01 . 1 . . 863 . . 28 LYS H . 27445 1 80 . 1 1 28 28 LYS C C 13 173.082 0.3 . 1 . . 1245 . . 28 LYS C . 27445 1 81 . 1 1 28 28 LYS CA C 13 54.245 0.3 . 1 . . 1244 . . 28 LYS CA . 27445 1 82 . 1 1 28 28 LYS CB C 13 34.46 0.3 . 1 . . 1243 . . 28 LYS CB . 27445 1 83 . 1 1 28 28 LYS N N 15 115.507 0.08 . 1 . . 864 . . 28 LYS N . 27445 1 84 . 1 1 29 29 LEU H H 1 9.222 0.01 . 1 . . 114 . . 29 LEU H . 27445 1 85 . 1 1 29 29 LEU C C 13 175.145 0.3 . 1 . . 592 . . 29 LEU C . 27445 1 86 . 1 1 29 29 LEU CA C 13 52.446 0.3 . 1 . . 594 . . 29 LEU CA . 27445 1 87 . 1 1 29 29 LEU CB C 13 42.698 0.3 . 1 . . 593 . . 29 LEU CB . 27445 1 88 . 1 1 29 29 LEU N N 15 119.427 0.08 . 1 . . 113 . . 29 LEU N . 27445 1 89 . 1 1 30 30 PHE H H 1 8.797 0.01 . 1 . . 360 . . 30 PHE H . 27445 1 90 . 1 1 30 30 PHE C C 13 172.74 0.3 . 1 . . 616 . . 30 PHE C . 27445 1 91 . 1 1 30 30 PHE CA C 13 55.762 0.3 . 1 . . 618 . . 30 PHE CA . 27445 1 92 . 1 1 30 30 PHE CB C 13 43.515 0.3 . 1 . . 617 . . 30 PHE CB . 27445 1 93 . 1 1 30 30 PHE N N 15 124.942 0.08 . 1 . . 359 . . 30 PHE N . 27445 1 94 . 1 1 31 31 THR H H 1 7.538 0.01 . 1 . . 404 . . 31 THR H . 27445 1 95 . 1 1 31 31 THR C C 13 168.991 0.3 . 1 . . 1190 . . 31 THR C . 27445 1 96 . 1 1 31 31 THR CA C 13 58.412 0.3 . 1 . . 1191 . . 31 THR CA . 27445 1 97 . 1 1 31 31 THR CB C 13 70.138 0.3 . 1 . . 1192 . . 31 THR CB . 27445 1 98 . 1 1 31 31 THR N N 15 121.724 0.08 . 1 . . 403 . . 31 THR N . 27445 1 99 . 1 1 32 32 GLY H H 1 6.74 0.01 . 1 . . 205 . . 32 GLY H . 27445 1 100 . 1 1 32 32 GLY C C 13 169.904 0.3 . 1 . . 1447 . . 32 GLY C . 27445 1 101 . 1 1 32 32 GLY CA C 13 44.407 0.3 . 1 . . 1446 . . 32 GLY CA . 27445 1 102 . 1 1 32 32 GLY N N 15 110.096 0.08 . 1 . . 206 . . 32 GLY N . 27445 1 103 . 1 1 33 33 PRO C C 13 177.566 0.3 . 1 . . 1448 . . 33 PRO C . 27445 1 104 . 1 1 33 33 PRO CA C 13 61.985 0.3 . 1 . . 1449 . . 33 PRO CA . 27445 1 105 . 1 1 33 33 PRO CB C 13 31.453 0.3 . 1 . . 1450 . . 33 PRO CB . 27445 1 106 . 1 1 34 34 SER H H 1 8.934 0.01 . 1 . . 285 . . 34 SER H . 27445 1 107 . 1 1 34 34 SER C C 13 174.372 0.3 . 1 . . 1173 . . 34 SER C . 27445 1 108 . 1 1 34 34 SER CA C 13 57.39 0.3 . 1 . . 1174 . . 34 SER CA . 27445 1 109 . 1 1 34 34 SER CB C 13 63.111 0.3 . 1 . . 1175 . . 34 SER CB . 27445 1 110 . 1 1 34 34 SER N N 15 117.854 0.08 . 1 . . 286 . . 34 SER N . 27445 1 111 . 1 1 35 35 GLY H H 1 7.84 0.01 . 1 . . 327 . . 35 GLY H . 27445 1 112 . 1 1 35 35 GLY C C 13 174.672 0.3 . 1 . . 1197 . . 35 GLY C . 27445 1 113 . 1 1 35 35 GLY CA C 13 45.903 0.3 . 1 . . 1196 . . 35 GLY CA . 27445 1 114 . 1 1 35 35 GLY N N 15 109.5 0.08 . 1 . . 328 . . 35 GLY N . 27445 1 115 . 1 1 36 36 ALA H H 1 8.011 0.01 . 1 . . 480 . . 36 ALA H . 27445 1 116 . 1 1 36 36 ALA C C 13 176.502 0.3 . 1 . . 1112 . . 36 ALA C . 27445 1 117 . 1 1 36 36 ALA CA C 13 51.625 0.3 . 1 . . 1111 . . 36 ALA CA . 27445 1 118 . 1 1 36 36 ALA CB C 13 17.883 0.3 . 1 . . 1113 . . 36 ALA CB . 27445 1 119 . 1 1 36 36 ALA N N 15 122.806 0.08 . 1 . . 479 . . 36 ALA N . 27445 1 120 . 1 1 37 37 PHE H H 1 7.398 0.01 . 1 . . 195 . . 37 PHE H . 27445 1 121 . 1 1 37 37 PHE C C 13 173.501 0.3 . 1 . . 689 . . 37 PHE C . 27445 1 122 . 1 1 37 37 PHE CA C 13 54.727 0.3 . 1 . . 688 . . 37 PHE CA . 27445 1 123 . 1 1 37 37 PHE CB C 13 39.604 0.3 . 1 . . 687 . . 37 PHE CB . 27445 1 124 . 1 1 37 37 PHE N N 15 117.206 0.08 . 1 . . 196 . . 37 PHE N . 27445 1 125 . 1 1 38 38 VAL H H 1 8.757 0.01 . 1 . . 485 . . 38 VAL H . 27445 1 126 . 1 1 38 38 VAL C C 13 174.545 0.3 . 1 . . 604 . . 38 VAL C . 27445 1 127 . 1 1 38 38 VAL CA C 13 61.916 0.3 . 1 . . 603 . . 38 VAL CA . 27445 1 128 . 1 1 38 38 VAL CB C 13 31.702 0.3 . 1 . . 602 . . 38 VAL CB . 27445 1 129 . 1 1 38 38 VAL N N 15 123.111 0.08 . 1 . . 486 . . 38 VAL N . 27445 1 130 . 1 1 39 39 VAL H H 1 8.553 0.01 . 1 . . 187 . . 39 VAL H . 27445 1 131 . 1 1 39 39 VAL C C 13 173.326 0.3 . 1 . . 805 . . 39 VAL C . 27445 1 132 . 1 1 39 39 VAL CA C 13 60.745 0.3 . 1 . . 804 . . 39 VAL CA . 27445 1 133 . 1 1 39 39 VAL CB C 13 28.763 0.3 . 1 . . 806 . . 39 VAL CB . 27445 1 134 . 1 1 39 39 VAL N N 15 128.771 0.08 . 1 . . 188 . . 39 VAL N . 27445 1 135 . 1 1 40 40 GLN H H 1 9.558 0.01 . 1 . . 281 . . 40 GLN H . 27445 1 136 . 1 1 40 40 GLN C C 13 172.986 0.3 . 1 . . 1451 . . 40 GLN C . 27445 1 137 . 1 1 40 40 GLN CA C 13 53.731 0.3 . 1 . . 1452 . . 40 GLN CA . 27445 1 138 . 1 1 40 40 GLN N N 15 129.613 0.08 . 1 . . 282 . . 40 GLN N . 27445 1 139 . 1 1 42 42 GLN C C 13 177.128 0.3 . 1 . . 1453 . . 42 GLN C . 27445 1 140 . 1 1 43 43 ASN H H 1 8.519 0.01 . 1 . . 1001 . . 43 ASN H . 27445 1 141 . 1 1 43 43 ASN C C 13 175.327 0.3 . 1 . . 1256 . . 43 ASN C . 27445 1 142 . 1 1 43 43 ASN CA C 13 52.244 0.3 . 1 . . 1255 . . 43 ASN CA . 27445 1 143 . 1 1 43 43 ASN CB C 13 39.766 0.3 . 1 . . 1454 . . 43 ASN CB . 27445 1 144 . 1 1 43 43 ASN N N 15 120.081 0.08 . 1 . . 1002 . . 43 ASN N . 27445 1 145 . 1 1 44 44 GLY H H 1 7.567 0.01 . 1 . . 559 . . 44 GLY H . 27445 1 146 . 1 1 44 44 GLY C C 13 174.383 0.3 . 1 . . 1318 . . 44 GLY C . 27445 1 147 . 1 1 44 44 GLY CA C 13 45.719 0.3 . 1 . . 1317 . . 44 GLY CA . 27445 1 148 . 1 1 44 44 GLY N N 15 112.14 0.08 . 1 . . 560 . . 44 GLY N . 27445 1 149 . 1 1 45 45 ARG H H 1 9.013 0.01 . 1 . . 337 . . 45 ARG H . 27445 1 150 . 1 1 45 45 ARG C C 13 173.785 0.3 . 1 . . 1157 . . 45 ARG C . 27445 1 151 . 1 1 45 45 ARG CA C 13 50.574 0.3 . 1 . . 1158 . . 45 ARG CA . 27445 1 152 . 1 1 45 45 ARG CB C 13 28.22 0.3 . 1 . . 1159 . . 45 ARG CB . 27445 1 153 . 1 1 45 45 ARG N N 15 119.476 0.08 . 1 . . 338 . . 45 ARG N . 27445 1 154 . 1 1 46 46 CYS H H 1 7.899 0.01 . 1 . . 65 . . 46 CYS H . 27445 1 155 . 1 1 46 46 CYS C C 13 172.211 0.3 . 1 . . 743 . . 46 CYS C . 27445 1 156 . 1 1 46 46 CYS CA C 13 56.45 0.3 . 1 . . 744 . . 46 CYS CA . 27445 1 157 . 1 1 46 46 CYS CB C 13 29.562 0.3 . 1 . . 746 . . 46 CYS CB . 27445 1 158 . 1 1 46 46 CYS N N 15 125.947 0.08 . 1 . . 66 . . 46 CYS N . 27445 1 159 . 1 1 47 47 THR H H 1 8.721 0.01 . 1 . . 123 . . 47 THR H . 27445 1 160 . 1 1 47 47 THR C C 13 178.761 0.3 . 1 . . 755 . . 47 THR C . 27445 1 161 . 1 1 47 47 THR CA C 13 61.225 0.3 . 1 . . 757 . . 47 THR CA . 27445 1 162 . 1 1 47 47 THR CB C 13 70.123 0.3 . 1 . . 756 . . 47 THR CB . 27445 1 163 . 1 1 47 47 THR N N 15 116.757 0.08 . 1 . . 124 . . 47 THR N . 27445 1 164 . 1 1 48 48 THR H H 1 9.321 0.01 . 1 . . 492 . . 48 THR H . 27445 1 165 . 1 1 48 48 THR C C 13 174.642 0.3 . 1 . . 1457 . . 48 THR C . 27445 1 166 . 1 1 48 48 THR CA C 13 64.74 0.3 . 1 . . 1455 . . 48 THR CA . 27445 1 167 . 1 1 48 48 THR CB C 13 66.529 0.3 . 1 . . 1456 . . 48 THR CB . 27445 1 168 . 1 1 48 48 THR N N 15 112.891 0.08 . 1 . . 491 . . 48 THR N . 27445 1 169 . 1 1 49 49 ASP H H 1 7.855 0.01 . 1 . . 317 . . 49 ASP H . 27445 1 170 . 1 1 49 49 ASP C C 13 176.138 0.3 . 1 . . 1349 . . 49 ASP C . 27445 1 171 . 1 1 49 49 ASP CA C 13 51.79 0.3 . 1 . . 1351 . . 49 ASP CA . 27445 1 172 . 1 1 49 49 ASP CB C 13 39.001 0.3 . 1 . . 1350 . . 49 ASP CB . 27445 1 173 . 1 1 49 49 ASP N N 15 115.253 0.08 . 1 . . 318 . . 49 ASP N . 27445 1 174 . 1 1 50 50 GLY H H 1 7.811 0.01 . 1 . . 529 . . 50 GLY H . 27445 1 175 . 1 1 50 50 GLY C C 13 173.383 0.3 . 1 . . 1211 . . 50 GLY C . 27445 1 176 . 1 1 50 50 GLY CA C 13 46.447 0.3 . 1 . . 1210 . . 50 GLY CA . 27445 1 177 . 1 1 50 50 GLY N N 15 107.179 0.08 . 1 . . 530 . . 50 GLY N . 27445 1 178 . 1 1 51 51 VAL H H 1 8.102 0.01 . 1 . . 261 . . 51 VAL H . 27445 1 179 . 1 1 51 51 VAL C C 13 175.214 0.3 . 1 . . 1168 . . 51 VAL C . 27445 1 180 . 1 1 51 51 VAL CA C 13 62.138 0.3 . 1 . . 1169 . . 51 VAL CA . 27445 1 181 . 1 1 51 51 VAL CB C 13 30.131 0.3 . 1 . . 1167 . . 51 VAL CB . 27445 1 182 . 1 1 51 51 VAL N N 15 123.1 0.08 . 1 . . 262 . . 51 VAL N . 27445 1 183 . 1 1 52 52 LEU H H 1 8.185 0.01 . 1 . . 509 . . 52 LEU H . 27445 1 184 . 1 1 52 52 LEU C C 13 177.031 0.3 . 1 . . 797 . . 52 LEU C . 27445 1 185 . 1 1 52 52 LEU CA C 13 55.136 0.3 . 1 . . 798 . . 52 LEU CA . 27445 1 186 . 1 1 52 52 LEU CB C 13 40.909 0.3 . 1 . . 1200 . . 52 LEU CB . 27445 1 187 . 1 1 52 52 LEU N N 15 127.513 0.08 . 1 . . 510 . . 52 LEU N . 27445 1 188 . 1 1 53 53 LEU H H 1 7.873 0.01 . 1 . . 567 . . 53 LEU H . 27445 1 189 . 1 1 53 53 LEU C C 13 177.854 0.3 . 1 . . 820 . . 53 LEU C . 27445 1 190 . 1 1 53 53 LEU CA C 13 52.222 0.3 . 1 . . 818 . . 53 LEU CA . 27445 1 191 . 1 1 53 53 LEU CB C 13 45.654 0.3 . 1 . . 819 . . 53 LEU CB . 27445 1 192 . 1 1 53 53 LEU N N 15 120.105 0.08 . 1 . . 568 . . 53 LEU N . 27445 1 193 . 1 1 54 54 GLY H H 1 9.007 0.01 . 1 . . 472 . . 54 GLY H . 27445 1 194 . 1 1 54 54 GLY C C 13 175.505 0.3 . 1 . . 808 . . 54 GLY C . 27445 1 195 . 1 1 54 54 GLY CA C 13 47.381 0.3 . 1 . . 807 . . 54 GLY CA . 27445 1 196 . 1 1 54 54 GLY N N 15 109.409 0.08 . 1 . . 471 . . 54 GLY N . 27445 1 197 . 1 1 55 55 THR H H 1 8.315 0.01 . 1 . . 203 . . 55 THR H . 27445 1 198 . 1 1 55 55 THR C C 13 174.512 0.3 . 1 . . 1091 . . 55 THR C . 27445 1 199 . 1 1 55 55 THR CA C 13 60.229 0.3 . 1 . . 1090 . . 55 THR CA . 27445 1 200 . 1 1 55 55 THR CB C 13 67.608 0.3 . 1 . . 1458 . . 55 THR CB . 27445 1 201 . 1 1 55 55 THR N N 15 116.579 0.08 . 1 . . 204 . . 55 THR N . 27445 1 202 . 1 1 56 56 THR C C 13 171.411 0.3 . 1 . . 1460 . . 56 THR C . 27445 1 203 . 1 1 56 56 THR CA C 13 66.111 0.3 . 1 . . 1459 . . 56 THR CA . 27445 1 204 . 1 1 56 56 THR CB C 13 69.064 0.3 . 1 . . 1461 . . 56 THR CB . 27445 1 205 . 1 1 57 57 GLN H H 1 8.451 0.01 . 1 . . 343 . . 57 GLN H . 27445 1 206 . 1 1 57 57 GLN C C 13 174.958 0.3 . 1 . . 1049 . . 57 GLN C . 27445 1 207 . 1 1 57 57 GLN CA C 13 52.105 0.3 . 1 . . 1050 . . 57 GLN CA . 27445 1 208 . 1 1 57 57 GLN CB C 13 29.109 0.3 . 1 . . 1051 . . 57 GLN CB . 27445 1 209 . 1 1 57 57 GLN N N 15 121.835 0.08 . 1 . . 344 . . 57 GLN N . 27445 1 210 . 1 1 58 58 LEU H H 1 8.117 0.01 . 1 . . 236 . . 58 LEU H . 27445 1 211 . 1 1 58 58 LEU C C 13 178.357 0.3 . 1 . . 1142 . . 58 LEU C . 27445 1 212 . 1 1 58 58 LEU CA C 13 57.13 0.3 . 1 . . 1141 . . 58 LEU CA . 27445 1 213 . 1 1 58 58 LEU CB C 13 42.341 0.3 . 1 . . 1143 . . 58 LEU CB . 27445 1 214 . 1 1 58 58 LEU N N 15 117.213 0.08 . 1 . . 235 . . 58 LEU N . 27445 1 215 . 1 1 59 59 SER H H 1 7.741 0.01 . 1 . . 378 . . 59 SER H . 27445 1 216 . 1 1 59 59 SER C C 13 176.385 0.3 . 1 . . 1462 . . 59 SER C . 27445 1 217 . 1 1 59 59 SER CA C 13 54.388 0.3 . 1 . . 1463 . . 59 SER CA . 27445 1 218 . 1 1 59 59 SER CB C 13 62.462 0.3 . 1 . . 1464 . . 59 SER CB . 27445 1 219 . 1 1 59 59 SER N N 15 114.807 0.08 . 1 . . 377 . . 59 SER N . 27445 1 220 . 1 1 60 60 PRO C C 13 175.548 0.3 . 1 . . 1465 . . 60 PRO C . 27445 1 221 . 1 1 60 60 PRO CA C 13 62.955 0.3 . 1 . . 1466 . . 60 PRO CA . 27445 1 222 . 1 1 61 61 VAL H H 1 6.532 0.01 . 1 . . 875 . . 61 VAL H . 27445 1 223 . 1 1 61 61 VAL C C 13 176.228 0.3 . 1 . . 1251 . . 61 VAL C . 27445 1 224 . 1 1 61 61 VAL CA C 13 60.131 0.3 . 1 . . 1467 . . 61 VAL CA . 27445 1 225 . 1 1 61 61 VAL CB C 13 29.645 0.3 . 1 . . 1468 . . 61 VAL CB . 27445 1 226 . 1 1 61 61 VAL N N 15 102.516 0.08 . 1 . . 876 . . 61 VAL N . 27445 1 227 . 1 1 62 62 ASN H H 1 6.767 0.01 . 1 . . 859 . . 62 ASN H . 27445 1 228 . 1 1 62 62 ASN C C 13 176.736 0.3 . 1 . . 1240 . . 62 ASN C . 27445 1 229 . 1 1 62 62 ASN CA C 13 51.272 0.3 . 1 . . 1242 . . 62 ASN CA . 27445 1 230 . 1 1 62 62 ASN CB C 13 38.714 0.3 . 1 . . 1241 . . 62 ASN CB . 27445 1 231 . 1 1 62 62 ASN N N 15 117.722 0.08 . 1 . . 860 . . 62 ASN N . 27445 1 232 . 1 1 63 63 ILE H H 1 6.589 0.01 . 1 . . 348 . . 63 ILE H . 27445 1 233 . 1 1 63 63 ILE C C 13 174.508 0.3 . 1 . . 636 . . 63 ILE C . 27445 1 234 . 1 1 63 63 ILE CA C 13 63.86 0.3 . 1 . . 635 . . 63 ILE CA . 27445 1 235 . 1 1 63 63 ILE CB C 13 37.752 0.3 . 1 . . 1469 . . 63 ILE CB . 27445 1 236 . 1 1 63 63 ILE N N 15 124.067 0.08 . 1 . . 347 . . 63 ILE N . 27445 1 237 . 1 1 64 64 CYS H H 1 8.98 0.01 . 1 . . 251 . . 64 CYS H . 27445 1 238 . 1 1 64 64 CYS C C 13 171.438 0.3 . 1 . . 1277 . . 64 CYS C . 27445 1 239 . 1 1 64 64 CYS CA C 13 62.439 0.3 . 1 . . 1276 . . 64 CYS CA . 27445 1 240 . 1 1 64 64 CYS CB C 13 23.023 0.3 . 1 . . 1275 . . 64 CYS CB . 27445 1 241 . 1 1 64 64 CYS N N 15 114.668 0.08 . 1 . . 252 . . 64 CYS N . 27445 1 242 . 1 1 65 65 THR H H 1 6.783 0.01 . 1 . . 125 . . 65 THR H . 27445 1 243 . 1 1 65 65 THR C C 13 173.358 0.3 . 1 . . 1161 . . 65 THR C . 27445 1 244 . 1 1 65 65 THR CA C 13 59.882 0.3 . 1 . . 1160 . . 65 THR CA . 27445 1 245 . 1 1 65 65 THR CB C 13 71.954 0.3 . 1 . . 1470 . . 65 THR CB . 27445 1 246 . 1 1 65 65 THR N N 15 103.445 0.08 . 1 . . 126 . . 65 THR N . 27445 1 247 . 1 1 66 66 PHE H H 1 7.43 0.01 . 1 . . 18 . . 66 PHE H . 27445 1 248 . 1 1 66 66 PHE C C 13 173.791 0.3 . 1 . . 736 . . 66 PHE C . 27445 1 249 . 1 1 66 66 PHE CA C 13 56.221 0.3 . 1 . . 735 . . 66 PHE CA . 27445 1 250 . 1 1 66 66 PHE CB C 13 43.862 0.3 . 1 . . 737 . . 66 PHE CB . 27445 1 251 . 1 1 66 66 PHE N N 15 113.577 0.08 . 1 . . 17 . . 66 PHE N . 27445 1 252 . 1 1 67 67 ARG H H 1 8.685 0.01 . 1 . . 268 . . 67 ARG H . 27445 1 253 . 1 1 67 67 ARG C C 13 174.589 0.3 . 1 . . 786 . . 67 ARG C . 27445 1 254 . 1 1 67 67 ARG CA C 13 54.132 0.3 . 1 . . 787 . . 67 ARG CA . 27445 1 255 . 1 1 67 67 ARG CB C 13 32.383 0.3 . 1 . . 785 . . 67 ARG CB . 27445 1 256 . 1 1 67 67 ARG N N 15 122.986 0.08 . 1 . . 267 . . 67 ARG N . 27445 1 257 . 1 1 68 68 GLY H H 1 8.689 0.01 . 1 . . 402 . . 68 GLY H . 27445 1 258 . 1 1 68 68 GLY C C 13 171.4 0.3 . 1 . . 1154 . . 68 GLY C . 27445 1 259 . 1 1 68 68 GLY CA C 13 45.702 0.3 . 1 . . 1155 . . 68 GLY CA . 27445 1 260 . 1 1 68 68 GLY N N 15 107.21 0.08 . 1 . . 401 . . 68 GLY N . 27445 1 261 . 1 1 69 69 ASP H H 1 8.213 0.01 . 1 . . 303 . . 69 ASP H . 27445 1 262 . 1 1 69 69 ASP C C 13 175.373 0.3 . 1 . . 1125 . . 69 ASP C . 27445 1 263 . 1 1 69 69 ASP CA C 13 51.972 0.3 . 1 . . 1124 . . 69 ASP CA . 27445 1 264 . 1 1 69 69 ASP CB C 13 42.186 0.3 . 1 . . 1471 . . 69 ASP CB . 27445 1 265 . 1 1 69 69 ASP N N 15 121.282 0.08 . 1 . . 304 . . 69 ASP N . 27445 1 266 . 1 1 70 70 VAL H H 1 9.711 0.01 . 1 . . 1005 . . 70 VAL H . 27445 1 267 . 1 1 70 70 VAL C C 13 176.94 0.3 . 1 . . 1208 . . 70 VAL C . 27445 1 268 . 1 1 70 70 VAL CA C 13 58.182 0.3 . 1 . . 1207 . . 70 VAL CA . 27445 1 269 . 1 1 70 70 VAL CB C 13 35.675 0.3 . 1 . . 1209 . . 70 VAL CB . 27445 1 270 . 1 1 70 70 VAL N N 15 112.77 0.08 . 1 . . 1006 . . 70 VAL N . 27445 1 271 . 1 1 71 71 THR H H 1 8.857 0.01 . 1 . . 83 . . 71 THR H . 27445 1 272 . 1 1 71 71 THR C C 13 173.223 0.3 . 1 . . 653 . . 71 THR C . 27445 1 273 . 1 1 71 71 THR CA C 13 60.647 0.3 . 1 . . 1278 . . 71 THR CA . 27445 1 274 . 1 1 71 71 THR CB C 13 70.976 0.3 . 1 . . 651 . . 71 THR CB . 27445 1 275 . 1 1 71 71 THR N N 15 116.925 0.08 . 1 . . 84 . . 71 THR N . 27445 1 276 . 1 1 72 72 HIS H H 1 9.066 0.01 . 1 . . 241 . . 72 HIS H . 27445 1 277 . 1 1 72 72 HIS C C 13 174.397 0.3 . 1 . . 1472 . . 72 HIS C . 27445 1 278 . 1 1 72 72 HIS CA C 13 55.444 0.3 . 1 . . 1473 . . 72 HIS CA . 27445 1 279 . 1 1 72 72 HIS CB C 13 30.482 0.3 . 1 . . 1187 . . 72 HIS CB . 27445 1 280 . 1 1 72 72 HIS N N 15 125.673 0.08 . 1 . . 242 . . 72 HIS N . 27445 1 281 . 1 1 73 73 ILE H H 1 7.492 0.01 . 1 . . 506 . . 73 ILE H . 27445 1 282 . 1 1 73 73 ILE C C 13 174.651 0.3 . 1 . . 1120 . . 73 ILE C . 27445 1 283 . 1 1 73 73 ILE CA C 13 60.427 0.3 . 1 . . 1121 . . 73 ILE CA . 27445 1 284 . 1 1 73 73 ILE CB C 13 35.442 0.3 . 1 . . 1474 . . 73 ILE CB . 27445 1 285 . 1 1 73 73 ILE N N 15 130.977 0.08 . 1 . . 505 . . 73 ILE N . 27445 1 286 . 1 1 74 74 ALA H H 1 8.144 0.01 . 1 . . 172 . . 74 ALA H . 27445 1 287 . 1 1 74 74 ALA C C 13 178.201 0.3 . 1 . . 1322 . . 74 ALA C . 27445 1 288 . 1 1 74 74 ALA CA C 13 53.289 0.3 . 1 . . 1321 . . 74 ALA CA . 27445 1 289 . 1 1 74 74 ALA CB C 13 17.335 0.3 . 1 . . 1475 . . 74 ALA CB . 27445 1 290 . 1 1 74 74 ALA N N 15 131.75 0.08 . 1 . . 171 . . 74 ALA N . 27445 1 291 . 1 1 75 75 GLY H H 1 8.824 0.01 . 1 . . 893 . . 75 GLY H . 27445 1 292 . 1 1 75 75 GLY C C 13 173.699 0.3 . 1 . . 1319 . . 75 GLY C . 27445 1 293 . 1 1 75 75 GLY CA C 13 44.879 0.3 . 1 . . 1320 . . 75 GLY CA . 27445 1 294 . 1 1 75 75 GLY N N 15 110.722 0.08 . 1 . . 894 . . 75 GLY N . 27445 1 295 . 1 1 76 76 SER H H 1 7.826 0.01 . 1 . . 1291 . . 76 SER H . 27445 1 296 . 1 1 76 76 SER CA C 13 56.882 0.3 . 1 . . 1477 . . 76 SER CA . 27445 1 297 . 1 1 76 76 SER CB C 13 67.507 0.3 . 1 . . 1476 . . 76 SER CB . 27445 1 298 . 1 1 76 76 SER N N 15 116.135 0.08 . 1 . . 1292 . . 76 SER N . 27445 1 299 . 1 1 77 77 ARG C C 13 175.755 0.3 . 1 . . 1478 . . 77 ARG C . 27445 1 300 . 1 1 78 78 ASN H H 1 8.734 0.01 . 1 . . 1362 . . 78 ASN H . 27445 1 301 . 1 1 78 78 ASN C C 13 174.084 0.3 . 1 . . 1396 . . 78 ASN C . 27445 1 302 . 1 1 78 78 ASN CA C 13 51.552 0.3 . 1 . . 1397 . . 78 ASN CA . 27445 1 303 . 1 1 78 78 ASN N N 15 120.012 0.08 . 1 . . 1363 . . 78 ASN N . 27445 1 304 . 1 1 79 79 TYR H H 1 8.951 0.01 . 1 . . 383 . . 79 TYR H . 27445 1 305 . 1 1 79 79 TYR C C 13 175.377 0.3 . 1 . . 619 . . 79 TYR C . 27445 1 306 . 1 1 79 79 TYR CA C 13 56.511 0.3 . 1 . . 620 . . 79 TYR CA . 27445 1 307 . 1 1 79 79 TYR CB C 13 41.677 0.3 . 1 . . 1479 . . 79 TYR CB . 27445 1 308 . 1 1 79 79 TYR N N 15 118.319 0.08 . 1 . . 384 . . 79 TYR N . 27445 1 309 . 1 1 80 80 THR H H 1 9.05 0.01 . 1 . . 1039 . . 80 THR H . 27445 1 310 . 1 1 80 80 THR C C 13 173.509 0.3 . 1 . . 1172 . . 80 THR C . 27445 1 311 . 1 1 80 80 THR CA C 13 61.933 0.3 . 1 . . 1170 . . 80 THR CA . 27445 1 312 . 1 1 80 80 THR CB C 13 69.101 0.3 . 1 . . 1171 . . 80 THR CB . 27445 1 313 . 1 1 80 80 THR N N 15 121.754 0.08 . 1 . . 1040 . . 80 THR N . 27445 1 314 . 1 1 81 81 MET H H 1 9.559 0.01 . 1 . . 981 . . 81 MET H . 27445 1 315 . 1 1 81 81 MET C C 13 173.959 0.3 . 1 . . 676 . . 81 MET C . 27445 1 316 . 1 1 81 81 MET CA C 13 53.059 0.3 . 1 . . 675 . . 81 MET CA . 27445 1 317 . 1 1 81 81 MET CB C 13 36.806 0.3 . 1 . . 1480 . . 81 MET CB . 27445 1 318 . 1 1 81 81 MET N N 15 128.457 0.08 . 1 . . 982 . . 81 MET N . 27445 1 319 . 1 1 82 82 ASN H H 1 8.83 0.01 . 1 . . 186 . . 82 ASN H . 27445 1 320 . 1 1 82 82 ASN C C 13 175.452 0.3 . 1 . . 752 . . 82 ASN C . 27445 1 321 . 1 1 82 82 ASN CA C 13 51.869 0.3 . 1 . . 750 . . 82 ASN CA . 27445 1 322 . 1 1 82 82 ASN CB C 13 38.226 0.3 . 1 . . 751 . . 82 ASN CB . 27445 1 323 . 1 1 82 82 ASN N N 15 128.206 0.08 . 1 . . 185 . . 82 ASN N . 27445 1 324 . 1 1 83 83 LEU H H 1 8.301 0.01 . 1 . . 97 . . 83 LEU H . 27445 1 325 . 1 1 83 83 LEU C C 13 176.492 0.3 . 1 . . 630 . . 83 LEU C . 27445 1 326 . 1 1 83 83 LEU CA C 13 55.638 0.3 . 1 . . 629 . . 83 LEU CA . 27445 1 327 . 1 1 83 83 LEU CB C 13 41.304 0.3 . 1 . . 631 . . 83 LEU CB . 27445 1 328 . 1 1 83 83 LEU N N 15 125.213 0.08 . 1 . . 98 . . 83 LEU N . 27445 1 329 . 1 1 84 84 ALA H H 1 9.185 0.01 . 1 . . 200 . . 84 ALA H . 27445 1 330 . 1 1 84 84 ALA C C 13 176.709 0.3 . 1 . . 1481 . . 84 ALA C . 27445 1 331 . 1 1 84 84 ALA CA C 13 49.689 0.3 . 1 . . 774 . . 84 ALA CA . 27445 1 332 . 1 1 84 84 ALA CB C 13 21.051 0.3 . 1 . . 775 . . 84 ALA CB . 27445 1 333 . 1 1 84 84 ALA N N 15 125.831 0.08 . 1 . . 199 . . 84 ALA N . 27445 1 334 . 1 1 85 85 SER H H 1 8.447 0.01 . 1 . . 456 . . 85 SER H . 27445 1 335 . 1 1 85 85 SER C C 13 174.548 0.3 . 1 . . 591 . . 85 SER C . 27445 1 336 . 1 1 85 85 SER CA C 13 57.138 0.3 . 1 . . 590 . . 85 SER CA . 27445 1 337 . 1 1 85 85 SER CB C 13 63.622 0.3 . 1 . . 589 . . 85 SER CB . 27445 1 338 . 1 1 85 85 SER N N 15 113.868 0.08 . 1 . . 455 . . 85 SER N . 27445 1 339 . 1 1 86 86 LEU H H 1 7.899 0.01 . 1 . . 50 . . 86 LEU H . 27445 1 340 . 1 1 86 86 LEU C C 13 176.317 0.3 . 1 . . 1482 . . 86 LEU C . 27445 1 341 . 1 1 86 86 LEU CA C 13 56.815 0.3 . 1 . . 1484 . . 86 LEU CA . 27445 1 342 . 1 1 86 86 LEU CB C 13 40.46 0.3 . 1 . . 1483 . . 86 LEU CB . 27445 1 343 . 1 1 86 86 LEU N N 15 118.752 0.08 . 1 . . 49 . . 86 LEU N . 27445 1 344 . 1 1 88 88 TRP C C 13 175.592 0.3 . 1 . . 1485 . . 88 TRP C . 27445 1 345 . 1 1 88 88 TRP CA C 13 59.451 0.3 . 1 . . 1486 . . 88 TRP CA . 27445 1 346 . 1 1 88 88 TRP CB C 13 24.54 0.3 . 1 . . 1487 . . 88 TRP CB . 27445 1 347 . 1 1 89 89 ASN H H 1 7.787 0.01 . 1 . . 143 . . 89 ASN H . 27445 1 348 . 1 1 89 89 ASN C C 13 174.663 0.3 . 1 . . 1075 . . 89 ASN C . 27445 1 349 . 1 1 89 89 ASN CA C 13 52.272 0.3 . 1 . . 1073 . . 89 ASN CA . 27445 1 350 . 1 1 89 89 ASN CB C 13 38.607 0.3 . 1 . . 1074 . . 89 ASN CB . 27445 1 351 . 1 1 89 89 ASN N N 15 119.727 0.08 . 1 . . 144 . . 89 ASN N . 27445 1 352 . 1 1 90 90 ASN H H 1 8.574 0.01 . 1 . . 22 . . 90 ASN H . 27445 1 353 . 1 1 90 90 ASN C C 13 175.591 0.3 . 1 . . 734 . . 90 ASN C . 27445 1 354 . 1 1 90 90 ASN CA C 13 54.119 0.3 . 1 . . 733 . . 90 ASN CA . 27445 1 355 . 1 1 90 90 ASN CB C 13 38.056 0.3 . 1 . . 1148 . . 90 ASN CB . 27445 1 356 . 1 1 90 90 ASN N N 15 118.694 0.08 . 1 . . 21 . . 90 ASN N . 27445 1 357 . 1 1 91 91 TYR H H 1 8.861 0.01 . 1 . . 122 . . 91 TYR H . 27445 1 358 . 1 1 91 91 TYR C C 13 173.588 0.3 . 1 . . 834 . . 91 TYR C . 27445 1 359 . 1 1 91 91 TYR CA C 13 56.653 0.3 . 1 . . 833 . . 91 TYR CA . 27445 1 360 . 1 1 91 91 TYR CB C 13 38.18 0.3 . 1 . . 835 . . 91 TYR CB . 27445 1 361 . 1 1 91 91 TYR N N 15 125.177 0.08 . 1 . . 121 . . 91 TYR N . 27445 1 362 . 1 1 92 92 ASP H H 1 7.948 0.01 . 1 . . 223 . . 92 ASP H . 27445 1 363 . 1 1 92 92 ASP C C 13 174.451 0.3 . 1 . . 1488 . . 92 ASP C . 27445 1 364 . 1 1 92 92 ASP CA C 13 49.039 0.3 . 1 . . 1490 . . 92 ASP CA . 27445 1 365 . 1 1 92 92 ASP CB C 13 41.23 0.3 . 1 . . 1489 . . 92 ASP CB . 27445 1 366 . 1 1 92 92 ASP N N 15 129.931 0.08 . 1 . . 224 . . 92 ASP N . 27445 1 367 . 1 1 93 93 PRO CA C 13 63.437 0.3 . 1 . . 1491 . . 93 PRO CA . 27445 1 368 . 1 1 93 93 PRO CB C 13 31.774 0.3 . 1 . . 1492 . . 93 PRO CB . 27445 1 369 . 1 1 94 94 THR H H 1 8.207 0.01 . 1 . . 871 . . 94 THR H . 27445 1 370 . 1 1 94 94 THR C C 13 175.942 0.3 . 1 . . 1381 . . 94 THR C . 27445 1 371 . 1 1 94 94 THR CA C 13 61.912 0.3 . 1 . . 1382 . . 94 THR CA . 27445 1 372 . 1 1 94 94 THR CB C 13 68.88 0.3 . 1 . . 1383 . . 94 THR CB . 27445 1 373 . 1 1 94 94 THR N N 15 110.198 0.08 . 1 . . 872 . . 94 THR N . 27445 1 374 . 1 1 95 95 GLU H H 1 6.814 0.01 . 1 . . 11 . . 95 GLU H . 27445 1 375 . 1 1 95 95 GLU C C 13 177.146 0.3 . 1 . . 1164 . . 95 GLU C . 27445 1 376 . 1 1 95 95 GLU CA C 13 56.766 0.3 . 1 . . 1165 . . 95 GLU CA . 27445 1 377 . 1 1 95 95 GLU CB C 13 29.33 0.3 . 1 . . 1166 . . 95 GLU CB . 27445 1 378 . 1 1 95 95 GLU N N 15 124.409 0.08 . 1 . . 12 . . 95 GLU N . 27445 1 379 . 1 1 96 96 GLU H H 1 8.552 0.01 . 1 . . 563 . . 96 GLU H . 27445 1 380 . 1 1 96 96 GLU C C 13 174.722 0.3 . 1 . . 814 . . 96 GLU C . 27445 1 381 . 1 1 96 96 GLU CA C 13 55.508 0.3 . 1 . . 812 . . 96 GLU CA . 27445 1 382 . 1 1 96 96 GLU CB C 13 25.709 0.3 . 1 . . 813 . . 96 GLU CB . 27445 1 383 . 1 1 96 96 GLU N N 15 126.609 0.08 . 1 . . 564 . . 96 GLU N . 27445 1 384 . 1 1 97 97 ILE H H 1 8.057 0.01 . 1 . . 308 . . 97 ILE H . 27445 1 385 . 1 1 97 97 ILE CA C 13 58.292 0.3 . 1 . . 1494 . . 97 ILE CA . 27445 1 386 . 1 1 97 97 ILE CB C 13 39.316 0.3 . 1 . . 1493 . . 97 ILE CB . 27445 1 387 . 1 1 97 97 ILE N N 15 117.523 0.08 . 1 . . 307 . . 97 ILE N . 27445 1 388 . 1 1 100 100 PRO C C 13 177.682 0.3 . 1 . . 1495 . . 100 PRO C . 27445 1 389 . 1 1 100 100 PRO CA C 13 62.156 0.3 . 1 . . 1496 . . 100 PRO CA . 27445 1 390 . 1 1 100 100 PRO CB C 13 29.167 0.3 . 1 . . 1497 . . 100 PRO CB . 27445 1 391 . 1 1 101 101 LEU H H 1 8.63 0.01 . 1 . . 56 . . 101 LEU H . 27445 1 392 . 1 1 101 101 LEU C C 13 178.087 0.3 . 1 . . 764 . . 101 LEU C . 27445 1 393 . 1 1 101 101 LEU CA C 13 55.725 0.3 . 1 . . 765 . . 101 LEU CA . 27445 1 394 . 1 1 101 101 LEU CB C 13 39.369 0.3 . 1 . . 766 . . 101 LEU CB . 27445 1 395 . 1 1 101 101 LEU N N 15 124.483 0.08 . 1 . . 55 . . 101 LEU N . 27445 1 396 . 1 1 102 102 GLY H H 1 9.245 0.01 . 1 . . 351 . . 102 GLY H . 27445 1 397 . 1 1 102 102 GLY C C 13 172.939 0.3 . 1 . . 1186 . . 102 GLY C . 27445 1 398 . 1 1 102 102 GLY CA C 13 44.316 0.3 . 1 . . 1185 . . 102 GLY CA . 27445 1 399 . 1 1 102 102 GLY N N 15 107.575 0.08 . 1 . . 352 . . 102 GLY N . 27445 1 400 . 1 1 103 103 THR H H 1 7.529 0.01 . 1 . . 417 . . 103 THR H . 27445 1 401 . 1 1 103 103 THR C C 13 176.671 0.3 . 1 . . 1498 . . 103 THR C . 27445 1 402 . 1 1 103 103 THR CA C 13 62.986 0.3 . 1 . . 1499 . . 103 THR CA . 27445 1 403 . 1 1 103 103 THR CB C 13 69.532 0.3 . 1 . . 1500 . . 103 THR CB . 27445 1 404 . 1 1 103 103 THR N N 15 118.661 0.08 . 1 . . 418 . . 103 THR N . 27445 1 405 . 1 1 104 104 PRO C C 13 175.336 0.3 . 1 . . 1502 . . 104 PRO C . 27445 1 406 . 1 1 104 104 PRO CA C 13 64.093 0.3 . 1 . . 1501 . . 104 PRO CA . 27445 1 407 . 1 1 104 104 PRO CB C 13 31.699 0.3 . 1 . . 1503 . . 104 PRO CB . 27445 1 408 . 1 1 105 105 ASP H H 1 7.437 0.01 . 1 . . 873 . . 105 ASP H . 27445 1 409 . 1 1 105 105 ASP C C 13 173.555 0.3 . 1 . . 1366 . . 105 ASP C . 27445 1 410 . 1 1 105 105 ASP CA C 13 51.166 0.3 . 1 . . 1365 . . 105 ASP CA . 27445 1 411 . 1 1 105 105 ASP CB C 13 40.883 0.3 . 1 . . 1364 . . 105 ASP CB . 27445 1 412 . 1 1 105 105 ASP N N 15 118.483 0.08 . 1 . . 874 . . 105 ASP N . 27445 1 413 . 1 1 106 106 PHE H H 1 6.438 0.01 . 1 . . 290 . . 106 PHE H . 27445 1 414 . 1 1 106 106 PHE C C 13 174.833 0.3 . 1 . . 1181 . . 106 PHE C . 27445 1 415 . 1 1 106 106 PHE CA C 13 53.276 0.3 . 1 . . 1179 . . 106 PHE CA . 27445 1 416 . 1 1 106 106 PHE CB C 13 41.18 0.3 . 1 . . 1180 . . 106 PHE CB . 27445 1 417 . 1 1 106 106 PHE N N 15 109.619 0.08 . 1 . . 289 . . 106 PHE N . 27445 1 418 . 1 1 107 107 VAL H H 1 7.459 0.01 . 1 . . 109 . . 107 VAL H . 27445 1 419 . 1 1 107 107 VAL C C 13 174.488 0.3 . 1 . . 1504 . . 107 VAL C . 27445 1 420 . 1 1 107 107 VAL CA C 13 62.033 0.3 . 1 . . 1373 . . 107 VAL CA . 27445 1 421 . 1 1 107 107 VAL CB C 13 31.475 0.3 . 1 . . 1374 . . 107 VAL CB . 27445 1 422 . 1 1 107 107 VAL N N 15 123.233 0.08 . 1 . . 110 . . 107 VAL N . 27445 1 423 . 1 1 108 108 GLY H H 1 8.463 0.01 . 1 . . 434 . . 108 GLY H . 27445 1 424 . 1 1 108 108 GLY C C 13 170.219 0.3 . 1 . . 1379 . . 108 GLY C . 27445 1 425 . 1 1 108 108 GLY CA C 13 44.409 0.3 . 1 . . 1378 . . 108 GLY CA . 27445 1 426 . 1 1 108 108 GLY N N 15 115.829 0.08 . 1 . . 433 . . 108 GLY N . 27445 1 427 . 1 1 109 109 LYS H H 1 9.753 0.01 . 1 . . 1037 . . 109 LYS H . 27445 1 428 . 1 1 109 109 LYS C C 13 174.682 0.3 . 1 . . 1376 . . 109 LYS C . 27445 1 429 . 1 1 109 109 LYS CA C 13 54.806 0.3 . 1 . . 1375 . . 109 LYS CA . 27445 1 430 . 1 1 109 109 LYS CB C 13 32.278 0.3 . 1 . . 1377 . . 109 LYS CB . 27445 1 431 . 1 1 109 109 LYS N N 15 125.784 0.08 . 1 . . 890 . . 109 LYS N . 27445 1 432 . 1 1 110 110 ILE H H 1 8.623 0.01 . 1 . . 1027 . . 110 ILE H . 27445 1 433 . 1 1 110 110 ILE C C 13 174.428 0.3 . 1 . . 1129 . . 110 ILE C . 27445 1 434 . 1 1 110 110 ILE CA C 13 60.061 0.3 . 1 . . 1127 . . 110 ILE CA . 27445 1 435 . 1 1 110 110 ILE CB C 13 39.34 0.3 . 1 . . 1128 . . 110 ILE CB . 27445 1 436 . 1 1 110 110 ILE N N 15 123.994 0.08 . 1 . . 1028 . . 110 ILE N . 27445 1 437 . 1 1 111 111 GLN H H 1 9.602 0.01 . 1 . . 444 . . 111 GLN H . 27445 1 438 . 1 1 111 111 GLN C C 13 175.4 0.3 . 1 . . 722 . . 111 GLN C . 27445 1 439 . 1 1 111 111 GLN CA C 13 53.347 0.3 . 1 . . 724 . . 111 GLN CA . 27445 1 440 . 1 1 111 111 GLN CB C 13 33.292 0.3 . 1 . . 723 . . 111 GLN CB . 27445 1 441 . 1 1 111 111 GLN N N 15 129.456 0.08 . 1 . . 443 . . 111 GLN N . 27445 1 442 . 1 1 112 112 GLY H H 1 9.109 0.01 . 1 . . 326 . . 112 GLY H . 27445 1 443 . 1 1 112 112 GLY C C 13 171.697 0.3 . 1 . . 1332 . . 112 GLY C . 27445 1 444 . 1 1 112 112 GLY CA C 13 45.515 0.3 . 1 . . 1333 . . 112 GLY CA . 27445 1 445 . 1 1 112 112 GLY N N 15 116.489 0.08 . 1 . . 325 . . 112 GLY N . 27445 1 446 . 1 1 113 113 LEU H H 1 7.704 0.01 . 1 . . 959 . . 113 LEU H . 27445 1 447 . 1 1 113 113 LEU C C 13 175.375 0.3 . 1 . . 1123 . . 113 LEU C . 27445 1 448 . 1 1 113 113 LEU CA C 13 53.078 0.3 . 1 . . 1122 . . 113 LEU CA . 27445 1 449 . 1 1 113 113 LEU CB C 13 44.612 0.3 . 1 . . 1505 . . 113 LEU CB . 27445 1 450 . 1 1 113 113 LEU N N 15 121.668 0.08 . 1 . . 960 . . 113 LEU N . 27445 1 451 . 1 1 114 114 LEU H H 1 8.982 0.01 . 1 . . 983 . . 114 LEU H . 27445 1 452 . 1 1 114 114 LEU C C 13 175.849 0.3 . 1 . . 1150 . . 114 LEU C . 27445 1 453 . 1 1 114 114 LEU CA C 13 52.44 0.3 . 1 . . 1149 . . 114 LEU CA . 27445 1 454 . 1 1 114 114 LEU CB C 13 44.367 0.3 . 1 . . 1506 . . 114 LEU CB . 27445 1 455 . 1 1 114 114 LEU N N 15 127.033 0.08 . 1 . . 984 . . 114 LEU N . 27445 1 456 . 1 1 115 115 THR H H 1 9.476 0.01 . 1 . . 999 . . 115 THR H . 27445 1 457 . 1 1 115 115 THR C C 13 173.143 0.3 . 1 . . 1235 . . 115 THR C . 27445 1 458 . 1 1 115 115 THR CA C 13 58.929 0.3 . 1 . . 1234 . . 115 THR CA . 27445 1 459 . 1 1 115 115 THR CB C 13 70.552 0.3 . 1 . . 1507 . . 115 THR CB . 27445 1 460 . 1 1 115 115 THR N N 15 115.665 0.08 . 1 . . 1000 . . 115 THR N . 27445 1 461 . 1 1 116 116 GLN H H 1 8.946 0.01 . 1 . . 579 . . 116 GLN H . 27445 1 462 . 1 1 116 116 GLN C C 13 172.993 0.3 . 1 . . 1069 . . 116 GLN C . 27445 1 463 . 1 1 116 116 GLN CA C 13 54.622 0.3 . 1 . . 1068 . . 116 GLN CA . 27445 1 464 . 1 1 116 116 GLN CB C 13 35.491 0.3 . 1 . . 1066 . . 116 GLN CB . 27445 1 465 . 1 1 116 116 GLN N N 15 121.903 0.08 . 1 . . 580 . . 116 GLN N . 27445 1 466 . 1 1 117 117 THR H H 1 7.133 0.01 . 1 . . 394 . . 117 THR H . 27445 1 467 . 1 1 117 117 THR C C 13 173.793 0.3 . 1 . . 1096 . . 117 THR C . 27445 1 468 . 1 1 117 117 THR CA C 13 59.328 0.3 . 1 . . 1095 . . 117 THR CA . 27445 1 469 . 1 1 117 117 THR CB C 13 71.21 0.3 . 1 . . 1508 . . 117 THR CB . 27445 1 470 . 1 1 117 117 THR N N 15 122.961 0.08 . 1 . . 393 . . 117 THR N . 27445 1 471 . 1 1 118 118 THR H H 1 9.455 0.01 . 1 . . 197 . . 118 THR H . 27445 1 472 . 1 1 118 118 THR C C 13 174.744 0.3 . 1 . . 686 . . 118 THR C . 27445 1 473 . 1 1 118 118 THR CA C 13 62.401 0.3 . 1 . . 685 . . 118 THR CA . 27445 1 474 . 1 1 118 118 THR CB C 13 67.668 0.3 . 1 . . 684 . . 118 THR CB . 27445 1 475 . 1 1 118 118 THR N N 15 126.876 0.08 . 1 . . 198 . . 118 THR N . 27445 1 476 . 1 1 119 119 LYS H H 1 8.426 0.01 . 1 . . 847 . . 119 LYS H . 27445 1 477 . 1 1 119 119 LYS C C 13 178.975 0.3 . 1 . . 1130 . . 119 LYS C . 27445 1 478 . 1 1 119 119 LYS CA C 13 58.412 0.3 . 1 . . 1131 . . 119 LYS CA . 27445 1 479 . 1 1 119 119 LYS CB C 13 31.326 0.3 . 1 . . 1509 . . 119 LYS CB . 27445 1 480 . 1 1 119 119 LYS N N 15 130.301 0.08 . 1 . . 848 . . 119 LYS N . 27445 1 481 . 1 1 120 120 GLY H H 1 8.646 0.01 . 1 . . 100 . . 120 GLY H . 27445 1 482 . 1 1 120 120 GLY C C 13 174.678 0.3 . 1 . . 1082 . . 120 GLY C . 27445 1 483 . 1 1 120 120 GLY CA C 13 46.542 0.3 . 1 . . 1081 . . 120 GLY CA . 27445 1 484 . 1 1 120 120 GLY N N 15 107.413 0.08 . 1 . . 99 . . 120 GLY N . 27445 1 485 . 1 1 121 121 ASP H H 1 7.19 0.01 . 1 . . 270 . . 121 ASP H . 27445 1 486 . 1 1 121 121 ASP C C 13 177.431 0.3 . 1 . . 679 . . 121 ASP C . 27445 1 487 . 1 1 121 121 ASP CA C 13 52.556 0.3 . 1 . . 680 . . 121 ASP CA . 27445 1 488 . 1 1 121 121 ASP CB C 13 41.44 0.3 . 1 . . 1510 . . 121 ASP CB . 27445 1 489 . 1 1 121 121 ASP N N 15 115.973 0.08 . 1 . . 269 . . 121 ASP N . 27445 1 490 . 1 1 122 122 GLY H H 1 8.225 0.01 . 1 . . 523 . . 122 GLY H . 27445 1 491 . 1 1 122 122 GLY C C 13 173.529 0.3 . 1 . . 1331 . . 122 GLY C . 27445 1 492 . 1 1 122 122 GLY CA C 13 45.57 0.3 . 1 . . 1330 . . 122 GLY CA . 27445 1 493 . 1 1 122 122 GLY N N 15 110.406 0.08 . 1 . . 524 . . 122 GLY N . 27445 1 494 . 1 1 123 123 SER H H 1 7.902 0.01 . 1 . . 1003 . . 123 SER H . 27445 1 495 . 1 1 123 123 SER C C 13 174.448 0.3 . 1 . . 1512 . . 123 SER C . 27445 1 496 . 1 1 123 123 SER CA C 13 57.337 0.3 . 1 . . 1329 . . 123 SER CA . 27445 1 497 . 1 1 123 123 SER CB C 13 62.359 0.3 . 1 . . 1511 . . 123 SER CB . 27445 1 498 . 1 1 123 123 SER N N 15 115.63 0.08 . 1 . . 1004 . . 123 SER N . 27445 1 499 . 1 1 124 124 THR H H 1 7.502 0.01 . 1 . . 537 . . 124 THR H . 27445 1 500 . 1 1 124 124 THR C C 13 173.771 0.3 . 1 . . 1326 . . 124 THR C . 27445 1 501 . 1 1 124 124 THR CA C 13 59.388 0.3 . 1 . . 1327 . . 124 THR CA . 27445 1 502 . 1 1 124 124 THR CB C 13 73.184 0.3 . 1 . . 1328 . . 124 THR CB . 27445 1 503 . 1 1 124 124 THR N N 15 109.976 0.08 . 1 . . 538 . . 124 THR N . 27445 1 504 . 1 1 125 125 ARG H H 1 7.933 0.01 . 1 . . 877 . . 125 ARG H . 27445 1 505 . 1 1 125 125 ARG C C 13 174.037 0.3 . 1 . . 1323 . . 125 ARG C . 27445 1 506 . 1 1 125 125 ARG CA C 13 54.765 0.3 . 1 . . 1324 . . 125 ARG CA . 27445 1 507 . 1 1 125 125 ARG CB C 13 29.638 0.3 . 1 . . 1325 . . 125 ARG CB . 27445 1 508 . 1 1 125 125 ARG N N 15 113.796 0.08 . 1 . . 878 . . 125 ARG N . 27445 1 509 . 1 1 126 126 GLY H H 1 7.361 0.01 . 1 . . 314 . . 126 GLY H . 27445 1 510 . 1 1 126 126 GLY C C 13 171.469 0.3 . 1 . . 1188 . . 126 GLY C . 27445 1 511 . 1 1 126 126 GLY CA C 13 45.088 0.3 . 1 . . 1189 . . 126 GLY CA . 27445 1 512 . 1 1 126 126 GLY N N 15 107.626 0.08 . 1 . . 313 . . 126 GLY N . 27445 1 513 . 1 1 127 127 HIS H H 1 8.88 0.01 . 1 . . 451 . . 127 HIS H . 27445 1 514 . 1 1 127 127 HIS C C 13 174.252 0.3 . 1 . . 595 . . 127 HIS C . 27445 1 515 . 1 1 127 127 HIS CA C 13 54.503 0.3 . 1 . . 1335 . . 127 HIS CA . 27445 1 516 . 1 1 127 127 HIS CB C 13 34.464 0.3 . 1 . . 1334 . . 127 HIS CB . 27445 1 517 . 1 1 127 127 HIS N N 15 119.929 0.08 . 1 . . 452 . . 127 HIS N . 27445 1 518 . 1 1 128 128 LYS H H 1 9.096 0.01 . 1 . . 173 . . 128 LYS H . 27445 1 519 . 1 1 128 128 LYS C C 13 175.197 0.3 . 1 . . 1098 . . 128 LYS C . 27445 1 520 . 1 1 128 128 LYS CA C 13 57.772 0.3 . 1 . . 1099 . . 128 LYS CA . 27445 1 521 . 1 1 128 128 LYS CB C 13 31.698 0.3 . 1 . . 1097 . . 128 LYS CB . 27445 1 522 . 1 1 128 128 LYS N N 15 126.638 0.08 . 1 . . 174 . . 128 LYS N . 27445 1 523 . 1 1 129 129 ALA H H 1 8.603 0.01 . 1 . . 541 . . 129 ALA H . 27445 1 524 . 1 1 129 129 ALA C C 13 175.418 0.3 . 1 . . 1202 . . 129 ALA C . 27445 1 525 . 1 1 129 129 ALA CA C 13 50.382 0.3 . 1 . . 1201 . . 129 ALA CA . 27445 1 526 . 1 1 129 129 ALA CB C 13 24.54 0.3 . 1 . . 1203 . . 129 ALA CB . 27445 1 527 . 1 1 129 129 ALA N N 15 126.924 0.08 . 1 . . 542 . . 129 ALA N . 27445 1 528 . 1 1 130 130 THR H H 1 9.027 0.01 . 1 . . 585 . . 130 THR H . 27445 1 529 . 1 1 130 130 THR C C 13 173.166 0.3 . 1 . . 1400 . . 130 THR C . 27445 1 530 . 1 1 130 130 THR CA C 13 60.825 0.3 . 1 . . 652 . . 130 THR CA . 27445 1 531 . 1 1 130 130 THR CB C 13 70.856 0.3 . 1 . . 1401 . . 130 THR CB . 27445 1 532 . 1 1 130 130 THR N N 15 117.466 0.08 . 1 . . 586 . . 130 THR N . 27445 1 533 . 1 1 131 131 VAL H H 1 9.225 0.01 . 1 . . 214 . . 131 VAL H . 27445 1 534 . 1 1 131 131 VAL C C 13 172.137 0.3 . 1 . . 759 . . 131 VAL C . 27445 1 535 . 1 1 131 131 VAL CA C 13 57.477 0.3 . 1 . . 758 . . 131 VAL CA . 27445 1 536 . 1 1 131 131 VAL CB C 13 32.98 0.3 . 1 . . 760 . . 131 VAL CB . 27445 1 537 . 1 1 131 131 VAL N N 15 125.732 0.08 . 1 . . 213 . . 131 VAL N . 27445 1 538 . 1 1 132 132 TYR H H 1 9.091 0.01 . 1 . . 259 . . 132 TYR H . 27445 1 539 . 1 1 132 132 TYR C C 13 177.562 0.3 . 1 . . 1513 . . 132 TYR C . 27445 1 540 . 1 1 132 132 TYR CA C 13 52.509 0.3 . 1 . . 1514 . . 132 TYR CA . 27445 1 541 . 1 1 132 132 TYR CB C 13 35.224 0.3 . 1 . . 1515 . . 132 TYR CB . 27445 1 542 . 1 1 132 132 TYR N N 15 129.153 0.08 . 1 . . 260 . . 132 TYR N . 27445 1 543 . 1 1 140 140 PRO C C 13 178.448 0.3 . 1 . . 1516 . . 140 PRO C . 27445 1 544 . 1 1 140 140 PRO CA C 13 64.833 0.3 . 1 . . 1517 . . 140 PRO CA . 27445 1 545 . 1 1 141 141 LYS H H 1 8.239 0.01 . 1 . . 219 . . 141 LYS H . 27445 1 546 . 1 1 141 141 LYS C C 13 178.742 0.3 . 1 . . 1268 . . 141 LYS C . 27445 1 547 . 1 1 141 141 LYS CA C 13 57.229 0.3 . 1 . . 1269 . . 141 LYS CA . 27445 1 548 . 1 1 141 141 LYS CB C 13 29.806 0.3 . 1 . . 1267 . . 141 LYS CB . 27445 1 549 . 1 1 141 141 LYS N N 15 118.797 0.08 . 1 . . 220 . . 141 LYS N . 27445 1 550 . 1 1 142 142 LEU H H 1 7.194 0.01 . 1 . . 233 . . 142 LEU H . 27445 1 551 . 1 1 142 142 LEU C C 13 178.145 0.3 . 1 . . 1077 . . 142 LEU C . 27445 1 552 . 1 1 142 142 LEU CA C 13 54.384 0.3 . 1 . . 1076 . . 142 LEU CA . 27445 1 553 . 1 1 142 142 LEU CB C 13 40.054 0.3 . 1 . . 1518 . . 142 LEU CB . 27445 1 554 . 1 1 142 142 LEU N N 15 115.526 0.08 . 1 . . 234 . . 142 LEU N . 27445 1 555 . 1 1 143 143 GLY H H 1 7.78 0.01 . 1 . . 414 . . 143 GLY H . 27445 1 556 . 1 1 143 143 GLY C C 13 173.228 0.3 . 1 . . 1266 . . 143 GLY C . 27445 1 557 . 1 1 143 143 GLY CA C 13 44.781 0.3 . 1 . . 1265 . . 143 GLY CA . 27445 1 558 . 1 1 143 143 GLY N N 15 106.034 0.08 . 1 . . 413 . . 143 GLY N . 27445 1 559 . 1 1 144 144 SER H H 1 7.236 0.01 . 1 . . 342 . . 144 SER H . 27445 1 560 . 1 1 144 144 SER C C 13 172.822 0.3 . 1 . . 1132 . . 144 SER C . 27445 1 561 . 1 1 144 144 SER CA C 13 56.786 0.3 . 1 . . 1134 . . 144 SER CA . 27445 1 562 . 1 1 144 144 SER CB C 13 64.99 0.3 . 1 . . 1133 . . 144 SER CB . 27445 1 563 . 1 1 144 144 SER N N 15 115.063 0.08 . 1 . . 341 . . 144 SER N . 27445 1 564 . 1 1 145 145 VAL H H 1 7.854 0.01 . 1 . . 89 . . 145 VAL H . 27445 1 565 . 1 1 145 145 VAL C C 13 172.413 0.3 . 1 . . 658 . . 145 VAL C . 27445 1 566 . 1 1 145 145 VAL CA C 13 58.912 0.3 . 1 . . 656 . . 145 VAL CA . 27445 1 567 . 1 1 145 145 VAL CB C 13 35.209 0.3 . 1 . . 657 . . 145 VAL CB . 27445 1 568 . 1 1 145 145 VAL N N 15 114.456 0.08 . 1 . . 90 . . 145 VAL N . 27445 1 569 . 1 1 146 146 GLN H H 1 7.558 0.01 . 1 . . 330 . . 146 GLN H . 27445 1 570 . 1 1 146 146 GLN C C 13 174.979 0.3 . 1 . . 732 . . 146 GLN C . 27445 1 571 . 1 1 146 146 GLN CA C 13 53.619 0.3 . 1 . . 731 . . 146 GLN CA . 27445 1 572 . 1 1 146 146 GLN CB C 13 32.731 0.3 . 1 . . 730 . . 146 GLN CB . 27445 1 573 . 1 1 146 146 GLN N N 15 121.091 0.08 . 1 . . 329 . . 146 GLN N . 27445 1 574 . 1 1 147 147 PHE H H 1 9.231 0.01 . 1 . . 1015 . . 147 PHE H . 27445 1 575 . 1 1 147 147 PHE C C 13 175.703 0.3 . 1 . . 646 . . 147 PHE C . 27445 1 576 . 1 1 147 147 PHE CA C 13 56.555 0.3 . 1 . . 647 . . 147 PHE CA . 27445 1 577 . 1 1 147 147 PHE CB C 13 43.157 0.3 . 1 . . 1519 . . 147 PHE CB . 27445 1 578 . 1 1 147 147 PHE N N 15 123.398 0.08 . 1 . . 1016 . . 147 PHE N . 27445 1 579 . 1 1 148 148 SER H H 1 9.119 0.01 . 1 . . 577 . . 148 SER H . 27445 1 580 . 1 1 148 148 SER C C 13 175.63 0.3 . 1 . . 1289 . . 148 SER C . 27445 1 581 . 1 1 148 148 SER CA C 13 56.898 0.3 . 1 . . 1288 . . 148 SER CA . 27445 1 582 . 1 1 148 148 SER CB C 13 64.291 0.3 . 1 . . 1290 . . 148 SER CB . 27445 1 583 . 1 1 148 148 SER N N 15 117.759 0.08 . 1 . . 578 . . 148 SER N . 27445 1 584 . 1 1 149 149 THR H H 1 8.44 0.01 . 1 . . 545 . . 149 THR H . 27445 1 585 . 1 1 149 149 THR C C 13 173.765 0.3 . 1 . . 1520 . . 149 THR C . 27445 1 586 . 1 1 149 149 THR CA C 13 60.356 0.3 . 1 . . 1521 . . 149 THR CA . 27445 1 587 . 1 1 149 149 THR CB C 13 71.694 0.3 . 1 . . 1522 . . 149 THR CB . 27445 1 588 . 1 1 149 149 THR N N 15 117.695 0.08 . 1 . . 546 . . 149 THR N . 27445 1 589 . 1 1 150 150 ASP H H 1 8.714 0.01 . 1 . . 895 . . 150 ASP H . 27445 1 590 . 1 1 150 150 ASP N N 15 118.879 0.08 . 1 . . 896 . . 150 ASP N . 27445 1 591 . 1 1 151 151 THR H H 1 7.527 0.01 . 1 . . 1388 . . 151 THR H . 27445 1 592 . 1 1 151 151 THR N N 15 111.008 0.08 . 1 . . 1387 . . 151 THR N . 27445 1 593 . 1 1 152 152 GLU H H 1 8.179 0.01 . 1 . . 379 . . 152 GLU H . 27445 1 594 . 1 1 152 152 GLU N N 15 122.05 0.08 . 1 . . 380 . . 152 GLU N . 27445 1 595 . 1 1 153 153 ASN H H 1 8.406 0.01 . 1 . . 483 . . 153 ASN H . 27445 1 596 . 1 1 153 153 ASN N N 15 125.423 0.08 . 1 . . 484 . . 153 ASN N . 27445 1 597 . 1 1 154 154 ASP H H 1 8.161 0.01 . 1 . . 111 . . 154 ASP H . 27445 1 598 . 1 1 154 154 ASP N N 15 126 0.08 . 1 . . 112 . . 154 ASP N . 27445 1 599 . 1 1 155 155 PHE H H 1 7.233 0.01 . 1 . . 24 . . 155 PHE H . 27445 1 600 . 1 1 155 155 PHE C C 13 176.097 0.3 . 1 . . 1643 . . 155 PHE C . 27445 1 601 . 1 1 155 155 PHE CA C 13 58.723 0.3 . 1 . . 1642 . . 155 PHE CA . 27445 1 602 . 1 1 155 155 PHE CB C 13 40.086 0.3 . 1 . . 1644 . . 155 PHE CB . 27445 1 603 . 1 1 155 155 PHE N N 15 117.136 0.08 . 1 . . 23 . . 155 PHE N . 27445 1 604 . 1 1 156 156 GLU H H 1 9.092 0.01 . 1 . . 985 . . 156 GLU H . 27445 1 605 . 1 1 156 156 GLU C C 13 178.301 0.3 . 1 . . 598 . . 156 GLU C . 27445 1 606 . 1 1 156 156 GLU CA C 13 54.59 0.3 . 1 . . 599 . . 156 GLU CA . 27445 1 607 . 1 1 156 156 GLU CB C 13 31.206 0.3 . 1 . . 1645 . . 156 GLU CB . 27445 1 608 . 1 1 156 156 GLU N N 15 124.359 0.08 . 1 . . 986 . . 156 GLU N . 27445 1 609 . 1 1 157 157 THR H H 1 8.615 0.01 . 1 . . 997 . . 157 THR H . 27445 1 610 . 1 1 157 157 THR C C 13 174.814 0.3 . 1 . . 754 . . 157 THR C . 27445 1 611 . 1 1 157 157 THR CA C 13 60.573 0.3 . 1 . . 753 . . 157 THR CA . 27445 1 612 . 1 1 157 157 THR CB C 13 69.765 0.3 . 1 . . 1156 . . 157 THR CB . 27445 1 613 . 1 1 157 157 THR N N 15 114.303 0.08 . 1 . . 998 . . 157 THR N . 27445 1 614 . 1 1 158 158 HIS H H 1 9.582 0.01 . 1 . . 887 . . 158 HIS H . 27445 1 615 . 1 1 158 158 HIS C C 13 173.931 0.3 . 1 . . 1106 . . 158 HIS C . 27445 1 616 . 1 1 158 158 HIS CA C 13 56.832 0.3 . 1 . . 1105 . . 158 HIS CA . 27445 1 617 . 1 1 158 158 HIS CB C 13 26.438 0.3 . 1 . . 1646 . . 158 HIS CB . 27445 1 618 . 1 1 158 158 HIS N N 15 115.509 0.08 . 1 . . 888 . . 158 HIS N . 27445 1 619 . 1 1 159 159 GLN H H 1 7.889 0.01 . 1 . . 525 . . 159 GLN H . 27445 1 620 . 1 1 159 159 GLN C C 13 176.795 0.3 . 1 . . 1647 . . 159 GLN C . 27445 1 621 . 1 1 159 159 GLN CA C 13 53.239 0.3 . 1 . . 1649 . . 159 GLN CA . 27445 1 622 . 1 1 159 159 GLN CB C 13 29.069 0.3 . 1 . . 1648 . . 159 GLN CB . 27445 1 623 . 1 1 159 159 GLN N N 15 113.139 0.08 . 1 . . 526 . . 159 GLN N . 27445 1 624 . 1 1 160 160 ASN C C 13 175.446 0.3 . 1 . . 1636 . . 160 ASN C . 27445 1 625 . 1 1 160 160 ASN CA C 13 54.619 0.3 . 1 . . 1637 . . 160 ASN CA . 27445 1 626 . 1 1 160 160 ASN CB C 13 36.121 0.3 . 1 . . 1592 . . 160 ASN CB . 27445 1 627 . 1 1 161 161 THR H H 1 9.546 0.01 . 1 . . 867 . . 161 THR H . 27445 1 628 . 1 1 161 161 THR C C 13 170.899 0.3 . 1 . . 1249 . . 161 THR C . 27445 1 629 . 1 1 161 161 THR CA C 13 61.332 0.3 . 1 . . 1248 . . 161 THR CA . 27445 1 630 . 1 1 161 161 THR CB C 13 70.898 0.3 . 1 . . 1250 . . 161 THR CB . 27445 1 631 . 1 1 161 161 THR N N 15 125.163 0.08 . 1 . . 868 . . 161 THR N . 27445 1 632 . 1 1 162 162 LYS H H 1 9.392 0.01 . 1 . . 551 . . 162 LYS H . 27445 1 633 . 1 1 162 162 LYS C C 13 174.57 0.3 . 1 . . 1153 . . 162 LYS C . 27445 1 634 . 1 1 162 162 LYS CA C 13 53.939 0.3 . 1 . . 1151 . . 162 LYS CA . 27445 1 635 . 1 1 162 162 LYS CB C 13 36.674 0.3 . 1 . . 1152 . . 162 LYS CB . 27445 1 636 . 1 1 162 162 LYS N N 15 127.775 0.08 . 1 . . 552 . . 162 LYS N . 27445 1 637 . 1 1 163 163 PHE H H 1 9.467 0.01 . 1 . . 849 . . 163 PHE H . 27445 1 638 . 1 1 163 163 PHE C C 13 173.976 0.3 . 1 . . 1094 . . 163 PHE C . 27445 1 639 . 1 1 163 163 PHE CA C 13 55.821 0.3 . 1 . . 1093 . . 163 PHE CA . 27445 1 640 . 1 1 163 163 PHE CB C 13 41.602 0.3 . 1 . . 1638 . . 163 PHE CB . 27445 1 641 . 1 1 163 163 PHE N N 15 127.444 0.08 . 1 . . 850 . . 163 PHE N . 27445 1 642 . 1 1 164 164 THR H H 1 7.836 0.01 . 1 . . 19 . . 164 THR H . 27445 1 643 . 1 1 164 164 THR C C 13 171.471 0.3 . 1 . . 1639 . . 164 THR C . 27445 1 644 . 1 1 164 164 THR CA C 13 58.425 0.3 . 1 . . 1640 . . 164 THR CA . 27445 1 645 . 1 1 164 164 THR CB C 13 69.46 0.3 . 1 . . 1641 . . 164 THR CB . 27445 1 646 . 1 1 164 164 THR N N 15 125.496 0.08 . 1 . . 20 . . 164 THR N . 27445 1 647 . 1 1 166 166 VAL C C 13 175.047 0.3 . 1 . . 1523 . . 166 VAL C . 27445 1 648 . 1 1 167 167 GLY H H 1 8.031 0.01 . 1 . . 547 . . 167 GLY H . 27445 1 649 . 1 1 167 167 GLY C C 13 172.067 0.3 . 1 . . 1222 . . 167 GLY C . 27445 1 650 . 1 1 167 167 GLY CA C 13 46.222 0.3 . 1 . . 1223 . . 167 GLY CA . 27445 1 651 . 1 1 167 167 GLY N N 15 103.668 0.08 . 1 . . 548 . . 167 GLY N . 27445 1 652 . 1 1 168 168 VAL H H 1 8.863 0.01 . 1 . . 1011 . . 168 VAL H . 27445 1 653 . 1 1 168 168 VAL C C 13 175.813 0.3 . 1 . . 700 . . 168 VAL C . 27445 1 654 . 1 1 168 168 VAL CA C 13 58.213 0.3 . 1 . . 699 . . 168 VAL CA . 27445 1 655 . 1 1 168 168 VAL CB C 13 35.563 0.3 . 1 . . 701 . . 168 VAL CB . 27445 1 656 . 1 1 168 168 VAL N N 15 112.469 0.08 . 1 . . 1012 . . 168 VAL N . 27445 1 657 . 1 1 169 169 ILE H H 1 7.869 0.01 . 1 . . 82 . . 169 ILE H . 27445 1 658 . 1 1 169 169 ILE C C 13 173.082 0.3 . 1 . . 707 . . 169 ILE C . 27445 1 659 . 1 1 169 169 ILE CA C 13 58.263 0.3 . 1 . . 1524 . . 169 ILE CA . 27445 1 660 . 1 1 169 169 ILE CB C 13 41.5 0.3 . 1 . . 708 . . 169 ILE CB . 27445 1 661 . 1 1 169 169 ILE N N 15 113.892 0.08 . 1 . . 81 . . 169 ILE N . 27445 1 662 . 1 1 170 170 GLN H H 1 7.539 0.01 . 1 . . 575 . . 170 GLN H . 27445 1 663 . 1 1 170 170 GLN C C 13 173.354 0.3 . 1 . . 1237 . . 170 GLN C . 27445 1 664 . 1 1 170 170 GLN CA C 13 53.786 0.3 . 1 . . 1236 . . 170 GLN CA . 27445 1 665 . 1 1 170 170 GLN CB C 13 29.292 0.3 . 1 . . 1525 . . 170 GLN CB . 27445 1 666 . 1 1 170 170 GLN N N 15 122.461 0.08 . 1 . . 576 . . 170 GLN N . 27445 1 667 . 1 1 171 171 ASP H H 1 7.968 0.01 . 1 . . 424 . . 171 ASP H . 27445 1 668 . 1 1 171 171 ASP C C 13 175.093 0.3 . 1 . . 1145 . . 171 ASP C . 27445 1 669 . 1 1 171 171 ASP CA C 13 53.071 0.3 . 1 . . 1147 . . 171 ASP CA . 27445 1 670 . 1 1 171 171 ASP CB C 13 41.137 0.3 . 1 . . 1146 . . 171 ASP CB . 27445 1 671 . 1 1 171 171 ASP N N 15 123.348 0.08 . 1 . . 423 . . 171 ASP N . 27445 1 672 . 1 1 172 172 GLY H H 1 8.287 0.01 . 1 . . 238 . . 172 GLY H . 27445 1 673 . 1 1 172 172 GLY C C 13 174.697 0.3 . 1 . . 1526 . . 172 GLY C . 27445 1 674 . 1 1 172 172 GLY CA C 13 45.761 0.3 . 1 . . 1527 . . 172 GLY CA . 27445 1 675 . 1 1 172 172 GLY N N 15 109.082 0.08 . 1 . . 237 . . 172 GLY N . 27445 1 676 . 1 1 175 175 THR C C 13 173.784 0.3 . 1 . . 1528 . . 175 THR C . 27445 1 677 . 1 1 176 176 HIS H H 1 8.195 0.01 . 1 . . 462 . . 176 HIS H . 27445 1 678 . 1 1 176 176 HIS C C 13 175.698 0.3 . 1 . . 1399 . . 176 HIS C . 27445 1 679 . 1 1 176 176 HIS CA C 13 55.316 0.3 . 1 . . 1529 . . 176 HIS CA . 27445 1 680 . 1 1 176 176 HIS CB C 13 29.676 0.3 . 1 . . 1398 . . 176 HIS CB . 27445 1 681 . 1 1 176 176 HIS N N 15 123.173 0.08 . 1 . . 461 . . 176 HIS N . 27445 1 682 . 1 1 177 177 ARG H H 1 8.935 0.01 . 1 . . 397 . . 177 ARG H . 27445 1 683 . 1 1 177 177 ARG C C 13 175.023 0.3 . 1 . . 779 . . 177 ARG C . 27445 1 684 . 1 1 177 177 ARG CA C 13 58.151 0.3 . 1 . . 781 . . 177 ARG CA . 27445 1 685 . 1 1 177 177 ARG CB C 13 26.117 0.3 . 1 . . 780 . . 177 ARG CB . 27445 1 686 . 1 1 177 177 ARG N N 15 114.63 0.08 . 1 . . 398 . . 177 ARG N . 27445 1 687 . 1 1 178 178 ASN H H 1 8.466 0.01 . 1 . . 363 . . 178 ASN H . 27445 1 688 . 1 1 178 178 ASN C C 13 173.748 0.3 . 1 . . 720 . . 178 ASN C . 27445 1 689 . 1 1 178 178 ASN CA C 13 53.655 0.3 . 1 . . 719 . . 178 ASN CA . 27445 1 690 . 1 1 178 178 ASN CB C 13 37.616 0.3 . 1 . . 721 . . 178 ASN CB . 27445 1 691 . 1 1 178 178 ASN N N 15 116.776 0.08 . 1 . . 364 . . 178 ASN N . 27445 1 692 . 1 1 179 179 GLU H H 1 7.459 0.01 . 1 . . 1 . . 179 GLU H . 27445 1 693 . 1 1 179 179 GLU CA C 13 53.289 0.3 . 1 . . 1531 . . 179 GLU CA . 27445 1 694 . 1 1 179 179 GLU CB C 13 29.506 0.3 . 1 . . 1530 . . 179 GLU CB . 27445 1 695 . 1 1 179 179 GLU N N 15 115.632 0.08 . 1 . . 2 . . 179 GLU N . 27445 1 696 . 1 1 180 180 PRO C C 13 174.941 0.3 . 1 . . 1532 . . 180 PRO C . 27445 1 697 . 1 1 180 180 PRO CA C 13 62.146 0.3 . 1 . . 1533 . . 180 PRO CA . 27445 1 698 . 1 1 180 180 PRO CB C 13 35.359 0.3 . 1 . . 1534 . . 180 PRO CB . 27445 1 699 . 1 1 181 181 GLN H H 1 8.616 0.01 . 1 . . 346 . . 181 GLN H . 27445 1 700 . 1 1 181 181 GLN C C 13 176.118 0.3 . 1 . . 649 . . 181 GLN C . 27445 1 701 . 1 1 181 181 GLN CA C 13 54.216 0.3 . 1 . . 648 . . 181 GLN CA . 27445 1 702 . 1 1 181 181 GLN CB C 13 28.531 0.3 . 1 . . 650 . . 181 GLN CB . 27445 1 703 . 1 1 181 181 GLN N N 15 122.914 0.08 . 1 . . 345 . . 181 GLN N . 27445 1 704 . 1 1 182 182 GLN H H 1 8.764 0.01 . 1 . . 389 . . 182 GLN H . 27445 1 705 . 1 1 182 182 GLN C C 13 175.943 0.3 . 1 . . 1367 . . 182 GLN C . 27445 1 706 . 1 1 182 182 GLN CA C 13 57.843 0.3 . 1 . . 1368 . . 182 GLN CA . 27445 1 707 . 1 1 182 182 GLN CB C 13 25.26 0.3 . 1 . . 1535 . . 182 GLN CB . 27445 1 708 . 1 1 182 182 GLN N N 15 120.903 0.08 . 1 . . 390 . . 182 GLN N . 27445 1 709 . 1 1 183 183 TRP H H 1 8.563 0.01 . 1 . . 581 . . 183 TRP H . 27445 1 710 . 1 1 183 183 TRP C C 13 175.658 0.3 . 1 . . 1302 . . 183 TRP C . 27445 1 711 . 1 1 183 183 TRP CA C 13 54.133 0.3 . 1 . . 1300 . . 183 TRP CA . 27445 1 712 . 1 1 183 183 TRP CB C 13 28.612 0.3 . 1 . . 1301 . . 183 TRP CB . 27445 1 713 . 1 1 183 183 TRP N N 15 121.616 0.08 . 1 . . 582 . . 183 TRP N . 27445 1 714 . 1 1 184 184 VAL H H 1 7.455 0.01 . 1 . . 517 . . 184 VAL H . 27445 1 715 . 1 1 184 184 VAL C C 13 174.542 0.3 . 1 . . 811 . . 184 VAL C . 27445 1 716 . 1 1 184 184 VAL CA C 13 61.096 0.3 . 1 . . 809 . . 184 VAL CA . 27445 1 717 . 1 1 184 184 VAL CB C 13 31.749 0.3 . 1 . . 810 . . 184 VAL CB . 27445 1 718 . 1 1 184 184 VAL N N 15 125.08 0.08 . 1 . . 518 . . 184 VAL N . 27445 1 719 . 1 1 185 185 LEU H H 1 8.045 0.01 . 1 . . 349 . . 185 LEU H . 27445 1 720 . 1 1 185 185 LEU C C 13 176.625 0.3 . 1 . . 1536 . . 185 LEU C . 27445 1 721 . 1 1 185 185 LEU CA C 13 52.448 0.3 . 1 . . 1537 . . 185 LEU CA . 27445 1 722 . 1 1 185 185 LEU CB C 13 41.337 0.3 . 1 . . 1538 . . 185 LEU CB . 27445 1 723 . 1 1 185 185 LEU N N 15 126.682 0.08 . 1 . . 350 . . 185 LEU N . 27445 1 724 . 1 1 186 186 PRO C C 13 173.497 0.3 . 1 . . 1539 . . 186 PRO C . 27445 1 725 . 1 1 186 186 PRO CA C 13 61.085 0.3 . 1 . . 1541 . . 186 PRO CA . 27445 1 726 . 1 1 186 186 PRO CB C 13 31.325 0.3 . 1 . . 1540 . . 186 PRO CB . 27445 1 727 . 1 1 187 187 SER H H 1 8.8 0.01 . 1 . . 184 . . 187 SER H . 27445 1 728 . 1 1 187 187 SER C C 13 176.345 0.3 . 1 . . 1271 . . 187 SER C . 27445 1 729 . 1 1 187 187 SER CA C 13 56.002 0.3 . 1 . . 1272 . . 187 SER CA . 27445 1 730 . 1 1 187 187 SER CB C 13 61.824 0.3 . 1 . . 1542 . . 187 SER CB . 27445 1 731 . 1 1 187 187 SER N N 15 116.674 0.08 . 1 . . 183 . . 187 SER N . 27445 1 732 . 1 1 188 188 TYR H H 1 8.441 0.01 . 1 . . 258 . . 188 TYR H . 27445 1 733 . 1 1 188 188 TYR C C 13 177.5 0.3 . 1 . . 728 . . 188 TYR C . 27445 1 734 . 1 1 188 188 TYR CA C 13 61.29 0.3 . 1 . . 729 . . 188 TYR CA . 27445 1 735 . 1 1 188 188 TYR CB C 13 38.122 0.3 . 1 . . 1144 . . 188 TYR CB . 27445 1 736 . 1 1 188 188 TYR N N 15 123.963 0.08 . 1 . . 257 . . 188 TYR N . 27445 1 737 . 1 1 189 189 SER H H 1 9.688 0.01 . 1 . . 527 . . 189 SER H . 27445 1 738 . 1 1 189 189 SER C C 13 172.667 0.3 . 1 . . 1543 . . 189 SER C . 27445 1 739 . 1 1 189 189 SER CA C 13 56.95 0.3 . 1 . . 1270 . . 189 SER CA . 27445 1 740 . 1 1 189 189 SER CB C 13 62.633 0.3 . 1 . . 1544 . . 189 SER CB . 27445 1 741 . 1 1 189 189 SER N N 15 115.112 0.08 . 1 . . 528 . . 189 SER N . 27445 1 742 . 1 1 190 190 GLY H H 1 7.761 0.01 . 1 . . 169 . . 190 GLY H . 27445 1 743 . 1 1 190 190 GLY C C 13 173.963 0.3 . 1 . . 1199 . . 190 GLY C . 27445 1 744 . 1 1 190 190 GLY CA C 13 43.515 0.3 . 1 . . 1198 . . 190 GLY CA . 27445 1 745 . 1 1 190 190 GLY N N 15 109.081 0.08 . 1 . . 170 . . 190 GLY N . 27445 1 746 . 1 1 191 191 ARG H H 1 8.37 0.01 . 1 . . 216 . . 191 ARG H . 27445 1 747 . 1 1 191 191 ARG C C 13 177.562 0.3 . 1 . . 801 . . 191 ARG C . 27445 1 748 . 1 1 191 191 ARG CA C 13 56.818 0.3 . 1 . . 800 . . 191 ARG CA . 27445 1 749 . 1 1 191 191 ARG CB C 13 29.022 0.3 . 1 . . 799 . . 191 ARG CB . 27445 1 750 . 1 1 191 191 ARG N N 15 117.237 0.08 . 1 . . 215 . . 191 ARG N . 27445 1 751 . 1 1 192 192 ASN H H 1 8.675 0.01 . 1 . . 294 . . 192 ASN H . 27445 1 752 . 1 1 192 192 ASN C C 13 173.86 0.3 . 1 . . 642 . . 192 ASN C . 27445 1 753 . 1 1 192 192 ASN CA C 13 53.589 0.3 . 1 . . 640 . . 192 ASN CA . 27445 1 754 . 1 1 192 192 ASN CB C 13 37.247 0.3 . 1 . . 641 . . 192 ASN CB . 27445 1 755 . 1 1 192 192 ASN N N 15 115.243 0.08 . 1 . . 293 . . 192 ASN N . 27445 1 756 . 1 1 193 193 VAL H H 1 7.254 0.01 . 1 . . 45 . . 193 VAL H . 27445 1 757 . 1 1 193 193 VAL C C 13 176.38 0.3 . 1 . . 601 . . 193 VAL C . 27445 1 758 . 1 1 193 193 VAL CA C 13 60.863 0.3 . 1 . . 600 . . 193 VAL CA . 27445 1 759 . 1 1 193 193 VAL CB C 13 32.842 0.3 . 1 . . 1545 . . 193 VAL CB . 27445 1 760 . 1 1 193 193 VAL N N 15 121.056 0.08 . 1 . . 46 . . 193 VAL N . 27445 1 761 . 1 1 194 194 HIS H H 1 8.461 0.01 . 1 . . 391 . . 194 HIS H . 27445 1 762 . 1 1 194 194 HIS C C 13 176.44 0.3 . 1 . . 1274 . . 194 HIS C . 27445 1 763 . 1 1 194 194 HIS CA C 13 55.949 0.3 . 1 . . 1547 . . 194 HIS CA . 27445 1 764 . 1 1 194 194 HIS CB C 13 30.023 0.3 . 1 . . 1546 . . 194 HIS CB . 27445 1 765 . 1 1 194 194 HIS N N 15 128.126 0.08 . 1 . . 392 . . 194 HIS N . 27445 1 766 . 1 1 195 195 ASN H H 1 8.821 0.01 . 1 . . 371 . . 195 ASN H . 27445 1 767 . 1 1 195 195 ASN C C 13 175.508 0.3 . 1 . . 1548 . . 195 ASN C . 27445 1 768 . 1 1 195 195 ASN CA C 13 52.471 0.3 . 1 . . 1273 . . 195 ASN CA . 27445 1 769 . 1 1 195 195 ASN CB C 13 39.151 0.3 . 1 . . 1549 . . 195 ASN CB . 27445 1 770 . 1 1 195 195 ASN N N 15 121.518 0.08 . 1 . . 372 . . 195 ASN N . 27445 1 771 . 1 1 196 196 VAL H H 1 8.811 0.01 . 1 . . 561 . . 196 VAL H . 27445 1 772 . 1 1 196 196 VAL C C 13 173.712 0.3 . 1 . . 1231 . . 196 VAL C . 27445 1 773 . 1 1 196 196 VAL CA C 13 59.095 0.3 . 1 . . 1232 . . 196 VAL CA . 27445 1 774 . 1 1 196 196 VAL CB C 13 34.543 0.3 . 1 . . 1233 . . 196 VAL CB . 27445 1 775 . 1 1 196 196 VAL N N 15 116.099 0.08 . 1 . . 562 . . 196 VAL N . 27445 1 776 . 1 1 197 197 HIS H H 1 8 0.01 . 1 . . 463 . . 197 HIS H . 27445 1 777 . 1 1 197 197 HIS C C 13 174.883 0.3 . 1 . . 792 . . 197 HIS C . 27445 1 778 . 1 1 197 197 HIS CA C 13 55.773 0.3 . 1 . . 793 . . 197 HIS CA . 27445 1 779 . 1 1 197 197 HIS CB C 13 26.107 0.3 . 1 . . 794 . . 197 HIS CB . 27445 1 780 . 1 1 197 197 HIS N N 15 111.328 0.08 . 1 . . 464 . . 197 HIS N . 27445 1 781 . 1 1 198 198 LEU H H 1 7.76 0.01 . 1 . . 32 . . 198 LEU H . 27445 1 782 . 1 1 198 198 LEU C C 13 180.233 0.3 . 1 . . 802 . . 198 LEU C . 27445 1 783 . 1 1 198 198 LEU CA C 13 54.45 0.3 . 1 . . 803 . . 198 LEU CA . 27445 1 784 . 1 1 198 198 LEU CB C 13 41.17 0.3 . 1 . . 1550 . . 198 LEU CB . 27445 1 785 . 1 1 198 198 LEU N N 15 115.989 0.08 . 1 . . 31 . . 198 LEU N . 27445 1 786 . 1 1 199 199 ALA H H 1 10.719 0.01 . 1 . . 15 . . 199 ALA H . 27445 1 787 . 1 1 199 199 ALA C C 13 177.049 0.3 . 1 . . 1551 . . 199 ALA C . 27445 1 788 . 1 1 199 199 ALA CA C 13 50.056 0.3 . 1 . . 1552 . . 199 ALA CA . 27445 1 789 . 1 1 199 199 ALA CB C 13 15.308 0.3 . 1 . . 1553 . . 199 ALA CB . 27445 1 790 . 1 1 199 199 ALA N N 15 129.629 0.08 . 1 . . 16 . . 199 ALA N . 27445 1 791 . 1 1 200 200 PRO C C 13 177.039 0.3 . 1 . . 1554 . . 200 PRO C . 27445 1 792 . 1 1 200 200 PRO CA C 13 62.52 0.3 . 1 . . 1555 . . 200 PRO CA . 27445 1 793 . 1 1 200 200 PRO CB C 13 31.887 0.3 . 1 . . 1556 . . 200 PRO CB . 27445 1 794 . 1 1 201 201 ALA H H 1 8.665 0.01 . 1 . . 102 . . 201 ALA H . 27445 1 795 . 1 1 201 201 ALA C C 13 177.703 0.3 . 1 . . 771 . . 201 ALA C . 27445 1 796 . 1 1 201 201 ALA CA C 13 51.445 0.3 . 1 . . 772 . . 201 ALA CA . 27445 1 797 . 1 1 201 201 ALA CB C 13 18.27 0.3 . 1 . . 773 . . 201 ALA CB . 27445 1 798 . 1 1 201 201 ALA N N 15 125.754 0.08 . 1 . . 101 . . 201 ALA N . 27445 1 799 . 1 1 202 202 VAL H H 1 8.56 0.01 . 1 . . 150 . . 202 VAL H . 27445 1 800 . 1 1 202 202 VAL C C 13 174.399 0.3 . 1 . . 711 . . 202 VAL C . 27445 1 801 . 1 1 202 202 VAL CA C 13 59.165 0.3 . 1 . . 712 . . 202 VAL CA . 27445 1 802 . 1 1 202 202 VAL CB C 13 32.937 0.3 . 1 . . 713 . . 202 VAL CB . 27445 1 803 . 1 1 202 202 VAL N N 15 116.981 0.08 . 1 . . 149 . . 202 VAL N . 27445 1 804 . 1 1 203 203 ALA H H 1 7.665 0.01 . 1 . . 323 . . 203 ALA H . 27445 1 805 . 1 1 203 203 ALA C C 13 173.672 0.3 . 1 . . 1557 . . 203 ALA C . 27445 1 806 . 1 1 203 203 ALA CA C 13 49.56 0.3 . 1 . . 1558 . . 203 ALA CA . 27445 1 807 . 1 1 203 203 ALA CB C 13 19.429 0.3 . 1 . . 1559 . . 203 ALA CB . 27445 1 808 . 1 1 203 203 ALA N N 15 124.152 0.08 . 1 . . 324 . . 203 ALA N . 27445 1 809 . 1 1 207 207 PRO C C 13 176.959 0.3 . 1 . . 1560 . . 207 PRO C . 27445 1 810 . 1 1 207 207 PRO CA C 13 63.558 0.3 . 1 . . 1562 . . 207 PRO CA . 27445 1 811 . 1 1 207 207 PRO CB C 13 30.635 0.3 . 1 . . 1561 . . 207 PRO CB . 27445 1 812 . 1 1 208 208 GLY H H 1 8.538 0.01 . 1 . . 438 . . 208 GLY H . 27445 1 813 . 1 1 208 208 GLY C C 13 174.387 0.3 . 1 . . 673 . . 208 GLY C . 27445 1 814 . 1 1 208 208 GLY CA C 13 44.558 0.3 . 1 . . 674 . . 208 GLY CA . 27445 1 815 . 1 1 208 208 GLY N N 15 111.541 0.08 . 1 . . 437 . . 208 GLY N . 27445 1 816 . 1 1 209 209 GLU H H 1 7.521 0.01 . 1 . . 395 . . 209 GLU H . 27445 1 817 . 1 1 209 209 GLU C C 13 176.654 0.3 . 1 . . 665 . . 209 GLU C . 27445 1 818 . 1 1 209 209 GLU CA C 13 54.549 0.3 . 1 . . 664 . . 209 GLU CA . 27445 1 819 . 1 1 209 209 GLU CB C 13 31.379 0.3 . 1 . . 666 . . 209 GLU CB . 27445 1 820 . 1 1 209 209 GLU N N 15 117.21 0.08 . 1 . . 396 . . 209 GLU N . 27445 1 821 . 1 1 210 210 GLN H H 1 9.22 0.01 . 1 . . 210 . . 210 GLN H . 27445 1 822 . 1 1 210 210 GLN C C 13 175.777 0.3 . 1 . . 783 . . 210 GLN C . 27445 1 823 . 1 1 210 210 GLN CA C 13 53.18 0.3 . 1 . . 782 . . 210 GLN CA . 27445 1 824 . 1 1 210 210 GLN CB C 13 33.545 0.3 . 1 . . 784 . . 210 GLN CB . 27445 1 825 . 1 1 210 210 GLN N N 15 118.142 0.08 . 1 . . 209 . . 210 GLN N . 27445 1 826 . 1 1 211 211 LEU H H 1 9.099 0.01 . 1 . . 465 . . 211 LEU H . 27445 1 827 . 1 1 211 211 LEU C C 13 175.802 0.3 . 1 . . 1353 . . 211 LEU C . 27445 1 828 . 1 1 211 211 LEU CA C 13 55.372 0.3 . 1 . . 1352 . . 211 LEU CA . 27445 1 829 . 1 1 211 211 LEU CB C 13 41.088 0.3 . 1 . . 1354 . . 211 LEU CB . 27445 1 830 . 1 1 211 211 LEU N N 15 120.392 0.08 . 1 . . 466 . . 211 LEU N . 27445 1 831 . 1 1 212 212 LEU H H 1 8.28 0.01 . 1 . . 366 . . 212 LEU H . 27445 1 832 . 1 1 212 212 LEU C C 13 172.364 0.3 . 1 . . 749 . . 212 LEU C . 27445 1 833 . 1 1 212 212 LEU CA C 13 52.71 0.3 . 1 . . 747 . . 212 LEU CA . 27445 1 834 . 1 1 212 212 LEU CB C 13 42.649 0.3 . 1 . . 748 . . 212 LEU CB . 27445 1 835 . 1 1 212 212 LEU N N 15 126.076 0.08 . 1 . . 365 . . 212 LEU N . 27445 1 836 . 1 1 213 213 PHE H H 1 9.241 0.01 . 1 . . 276 . . 213 PHE H . 27445 1 837 . 1 1 213 213 PHE C C 13 174.36 0.3 . 1 . . 1356 . . 213 PHE C . 27445 1 838 . 1 1 213 213 PHE CA C 13 55.306 0.3 . 1 . . 1355 . . 213 PHE CA . 27445 1 839 . 1 1 213 213 PHE CB C 13 40.97 0.3 . 1 . . 1563 . . 213 PHE CB . 27445 1 840 . 1 1 213 213 PHE N N 15 122.134 0.08 . 1 . . 275 . . 213 PHE N . 27445 1 841 . 1 1 214 214 PHE H H 1 8.58 0.01 . 1 . . 583 . . 214 PHE H . 27445 1 842 . 1 1 214 214 PHE C C 13 174.516 0.3 . 1 . . 1564 . . 214 PHE C . 27445 1 843 . 1 1 214 214 PHE CA C 13 56.689 0.3 . 1 . . 1303 . . 214 PHE CA . 27445 1 844 . 1 1 214 214 PHE CB C 13 37.577 0.3 . 1 . . 1304 . . 214 PHE CB . 27445 1 845 . 1 1 214 214 PHE N N 15 121.942 0.08 . 1 . . 584 . . 214 PHE N . 27445 1 846 . 1 1 215 215 ARG H H 1 9.187 0.01 . 1 . . 441 . . 215 ARG H . 27445 1 847 . 1 1 215 215 ARG C C 13 176.005 0.3 . 1 . . 623 . . 215 ARG C . 27445 1 848 . 1 1 215 215 ARG CA C 13 55.977 0.3 . 1 . . 621 . . 215 ARG CA . 27445 1 849 . 1 1 215 215 ARG CB C 13 33.278 0.3 . 1 . . 622 . . 215 ARG CB . 27445 1 850 . 1 1 215 215 ARG N N 15 129.131 0.08 . 1 . . 442 . . 215 ARG N . 27445 1 851 . 1 1 216 216 SER H H 1 8.719 0.01 . 1 . . 29 . . 216 SER H . 27445 1 852 . 1 1 216 216 SER C C 13 169.482 0.3 . 1 . . 1183 . . 216 SER C . 27445 1 853 . 1 1 216 216 SER CA C 13 57.302 0.3 . 1 . . 1182 . . 216 SER CA . 27445 1 854 . 1 1 216 216 SER CB C 13 66.263 0.3 . 1 . . 1184 . . 216 SER CB . 27445 1 855 . 1 1 216 216 SER N N 15 122.093 0.08 . 1 . . 30 . . 216 SER N . 27445 1 856 . 1 1 217 217 THR H H 1 8.546 0.01 . 1 . . 375 . . 217 THR H . 27445 1 857 . 1 1 217 217 THR C C 13 174.782 0.3 . 1 . . 1346 . . 217 THR C . 27445 1 858 . 1 1 217 217 THR CA C 13 60.29 0.3 . 1 . . 1347 . . 217 THR CA . 27445 1 859 . 1 1 217 217 THR CB C 13 67.28 0.3 . 1 . . 1348 . . 217 THR CB . 27445 1 860 . 1 1 217 217 THR N N 15 120.267 0.08 . 1 . . 376 . . 217 THR N . 27445 1 861 . 1 1 218 218 MET H H 1 9.543 0.01 . 1 . . 167 . . 218 MET H . 27445 1 862 . 1 1 218 218 MET C C 13 172.922 0.3 . 1 . . 1565 . . 218 MET C . 27445 1 863 . 1 1 218 218 MET CA C 13 54.452 0.3 . 1 . . 1566 . . 218 MET CA . 27445 1 864 . 1 1 218 218 MET CB C 13 32.74 0.3 . 1 . . 1567 . . 218 MET CB . 27445 1 865 . 1 1 218 218 MET N N 15 128.743 0.08 . 1 . . 168 . . 218 MET N . 27445 1 866 . 1 1 221 221 CYS C C 13 173.956 0.3 . 1 . . 1568 . . 221 CYS C . 27445 1 867 . 1 1 221 221 CYS CA C 13 56.733 0.3 . 1 . . 1569 . . 221 CYS CA . 27445 1 868 . 1 1 221 221 CYS CB C 13 28.792 0.3 . 1 . . 1570 . . 221 CYS CB . 27445 1 869 . 1 1 222 222 SER H H 1 7.111 0.01 . 1 . . 902 . . 222 SER H . 27445 1 870 . 1 1 222 222 SER C C 13 174.537 0.3 . 1 . . 1571 . . 222 SER C . 27445 1 871 . 1 1 222 222 SER CA C 13 61.163 0.3 . 1 . . 1224 . . 222 SER CA . 27445 1 872 . 1 1 222 222 SER CB C 13 63.154 0.3 . 1 . . 1225 . . 222 SER CB . 27445 1 873 . 1 1 222 222 SER N N 15 116.723 0.08 . 1 . . 903 . . 222 SER N . 27445 1 874 . 1 1 223 223 GLY H H 1 7.769 0.01 . 1 . . 469 . . 223 GLY H . 27445 1 875 . 1 1 223 223 GLY C C 13 174.133 0.3 . 1 . . 1048 . . 223 GLY C . 27445 1 876 . 1 1 223 223 GLY CA C 13 44.553 0.3 . 1 . . 1047 . . 223 GLY CA . 27445 1 877 . 1 1 223 223 GLY N N 15 112.019 0.08 . 1 . . 470 . . 223 GLY N . 27445 1 878 . 1 1 224 224 TYR H H 1 9.004 0.01 . 1 . . 368 . . 224 TYR H . 27445 1 879 . 1 1 224 224 TYR C C 13 172.25 0.3 . 1 . . 1572 . . 224 TYR C . 27445 1 880 . 1 1 224 224 TYR CA C 13 53.976 0.3 . 1 . . 1574 . . 224 TYR CA . 27445 1 881 . 1 1 224 224 TYR CB C 13 37.012 0.3 . 1 . . 1573 . . 224 TYR CB . 27445 1 882 . 1 1 224 224 TYR N N 15 121.413 0.08 . 1 . . 367 . . 224 TYR N . 27445 1 883 . 1 1 225 225 PRO C C 13 176.4 0.3 . 1 . . 1575 . . 225 PRO C . 27445 1 884 . 1 1 225 225 PRO CA C 13 61.942 0.3 . 1 . . 1576 . . 225 PRO CA . 27445 1 885 . 1 1 226 226 ASN H H 1 8.301 0.01 . 1 . . 1658 . . 226 ASN H . 27445 1 886 . 1 1 226 226 ASN C C 13 175.797 0.3 . 1 . . 660 . . 226 ASN C . 27445 1 887 . 1 1 226 226 ASN CA C 13 52.053 0.3 . 1 . . 659 . . 226 ASN CA . 27445 1 888 . 1 1 226 226 ASN CB C 13 36.206 0.3 . 1 . . 1263 . . 226 ASN CB . 27445 1 889 . 1 1 226 226 ASN N N 15 118.891 0.08 . 1 . . 1659 . . 226 ASN N . 27445 1 890 . 1 1 227 227 MET H H 1 8.25 0.01 . 1 . . 27 . . 227 MET H . 27445 1 891 . 1 1 227 227 MET C C 13 175.201 0.3 . 1 . . 795 . . 227 MET C . 27445 1 892 . 1 1 227 227 MET CA C 13 55.954 0.3 . 1 . . 796 . . 227 MET CA . 27445 1 893 . 1 1 227 227 MET CB C 13 32.84 0.3 . 1 . . 1578 . . 227 MET CB . 27445 1 894 . 1 1 227 227 MET N N 15 125.848 0.08 . 1 . . 28 . . 227 MET N . 27445 1 895 . 1 1 228 228 ASP H H 1 7.199 0.01 . 1 . . 244 . . 228 ASP H . 27445 1 896 . 1 1 228 228 ASP C C 13 174.762 0.3 . 1 . . 716 . . 228 ASP C . 27445 1 897 . 1 1 228 228 ASP CA C 13 55.787 0.3 . 1 . . 714 . . 228 ASP CA . 27445 1 898 . 1 1 228 228 ASP CB C 13 39.662 0.3 . 1 . . 715 . . 228 ASP CB . 27445 1 899 . 1 1 228 228 ASP N N 15 121.546 0.08 . 1 . . 243 . . 228 ASP N . 27445 1 900 . 1 1 229 229 LEU H H 1 8.078 0.01 . 1 . . 400 . . 229 LEU H . 27445 1 901 . 1 1 229 229 LEU C C 13 174.355 0.3 . 1 . . 697 . . 229 LEU C . 27445 1 902 . 1 1 229 229 LEU CA C 13 53.292 0.3 . 1 . . 696 . . 229 LEU CA . 27445 1 903 . 1 1 229 229 LEU CB C 13 43.328 0.3 . 1 . . 698 . . 229 LEU CB . 27445 1 904 . 1 1 229 229 LEU N N 15 122.114 0.08 . 1 . . 399 . . 229 LEU N . 27445 1 905 . 1 1 230 230 ASP H H 1 9.392 0.01 . 1 . . 37 . . 230 ASP H . 27445 1 906 . 1 1 230 230 ASP C C 13 175.192 0.3 . 1 . . 597 . . 230 ASP C . 27445 1 907 . 1 1 230 230 ASP CA C 13 53.824 0.3 . 1 . . 596 . . 230 ASP CA . 27445 1 908 . 1 1 230 230 ASP CB C 13 44.462 0.3 . 1 . . 1262 . . 230 ASP CB . 27445 1 909 . 1 1 230 230 ASP N N 15 131.659 0.08 . 1 . . 38 . . 230 ASP N . 27445 1 910 . 1 1 231 231 CYS H H 1 9.736 0.01 . 1 . . 176 . . 231 CYS H . 27445 1 911 . 1 1 231 231 CYS C C 13 173.609 0.3 . 1 . . 1056 . . 231 CYS C . 27445 1 912 . 1 1 231 231 CYS CA C 13 54.316 0.3 . 1 . . 1057 . . 231 CYS CA . 27445 1 913 . 1 1 231 231 CYS CB C 13 32.91 0.3 . 1 . . 1579 . . 231 CYS CB . 27445 1 914 . 1 1 231 231 CYS N N 15 117.403 0.08 . 1 . . 175 . . 231 CYS N . 27445 1 915 . 1 1 232 232 LEU H H 1 8.879 0.01 . 1 . . 1017 . . 232 LEU H . 27445 1 916 . 1 1 232 232 LEU C C 13 176.996 0.3 . 1 . . 1580 . . 232 LEU C . 27445 1 917 . 1 1 232 232 LEU CA C 13 55.304 0.3 . 1 . . 1258 . . 232 LEU CA . 27445 1 918 . 1 1 232 232 LEU CB C 13 41.331 0.3 . 1 . . 1257 . . 232 LEU CB . 27445 1 919 . 1 1 232 232 LEU N N 15 118.124 0.08 . 1 . . 1018 . . 232 LEU N . 27445 1 920 . 1 1 233 233 LEU H H 1 6.47 0.01 . 1 . . 448 . . 233 LEU H . 27445 1 921 . 1 1 233 233 LEU C C 13 173.175 0.3 . 1 . . 1581 . . 233 LEU C . 27445 1 922 . 1 1 233 233 LEU CA C 13 50.285 0.3 . 1 . . 1582 . . 233 LEU CA . 27445 1 923 . 1 1 233 233 LEU CB C 13 46.474 0.3 . 1 . . 1583 . . 233 LEU CB . 27445 1 924 . 1 1 233 233 LEU N N 15 110.733 0.08 . 1 . . 447 . . 233 LEU N . 27445 1 925 . 1 1 234 234 PRO C C 13 177.866 0.3 . 1 . . 1584 . . 234 PRO C . 27445 1 926 . 1 1 234 234 PRO CA C 13 60.814 0.3 . 1 . . 1585 . . 234 PRO CA . 27445 1 927 . 1 1 234 234 PRO CB C 13 33.001 0.3 . 1 . . 1587 . . 234 PRO CB . 27445 1 928 . 1 1 235 235 GLN H H 1 9.066 0.01 . 1 . . 493 . . 235 GLN H . 27445 1 929 . 1 1 235 235 GLN C C 13 178.302 0.3 . 1 . . 1316 . . 235 GLN C . 27445 1 930 . 1 1 235 235 GLN CA C 13 57.699 0.3 . 1 . . 1315 . . 235 GLN CA . 27445 1 931 . 1 1 235 235 GLN CB C 13 24.956 0.3 . 1 . . 1586 . . 235 GLN CB . 27445 1 932 . 1 1 235 235 GLN N N 15 126.693 0.08 . 1 . . 494 . . 235 GLN N . 27445 1 933 . 1 1 236 236 GLU H H 1 10.001 0.01 . 1 . . 10 . . 236 GLU H . 27445 1 934 . 1 1 236 236 GLU C C 13 180.841 0.3 . 1 . . 1178 . . 236 GLU C . 27445 1 935 . 1 1 236 236 GLU CA C 13 60.563 0.3 . 1 . . 1177 . . 236 GLU CA . 27445 1 936 . 1 1 236 236 GLU CB C 13 26.99 0.3 . 1 . . 1176 . . 236 GLU CB . 27445 1 937 . 1 1 236 236 GLU N N 15 118.769 0.08 . 1 . . 9 . . 236 GLU N . 27445 1 938 . 1 1 237 237 TRP H H 1 7.479 0.01 . 1 . . 1019 . . 237 TRP H . 27445 1 939 . 1 1 237 237 TRP C C 13 175.26 0.3 . 1 . . 1588 . . 237 TRP C . 27445 1 940 . 1 1 237 237 TRP CA C 13 59.761 0.3 . 1 . . 1259 . . 237 TRP CA . 27445 1 941 . 1 1 237 237 TRP CB C 13 26.623 0.3 . 1 . . 1589 . . 237 TRP CB . 27445 1 942 . 1 1 237 237 TRP N N 15 120.059 0.08 . 1 . . 1020 . . 237 TRP N . 27445 1 943 . 1 1 238 238 VAL H H 1 6.914 0.01 . 1 . . 553 . . 238 VAL H . 27445 1 944 . 1 1 238 238 VAL C C 13 177.266 0.3 . 1 . . 1227 . . 238 VAL C . 27445 1 945 . 1 1 238 238 VAL CA C 13 65.832 0.3 . 1 . . 1226 . . 238 VAL CA . 27445 1 946 . 1 1 238 238 VAL CB C 13 29.889 0.3 . 1 . . 1590 . . 238 VAL CB . 27445 1 947 . 1 1 238 238 VAL N N 15 120.146 0.08 . 1 . . 554 . . 238 VAL N . 27445 1 948 . 1 1 239 239 GLN H H 1 7.965 0.01 . 1 . . 47 . . 239 GLN H . 27445 1 949 . 1 1 239 239 GLN C C 13 178.714 0.3 . 1 . . 627 . . 239 GLN C . 27445 1 950 . 1 1 239 239 GLN CA C 13 58.795 0.3 . 1 . . 628 . . 239 GLN CA . 27445 1 951 . 1 1 239 239 GLN CB C 13 28.779 0.3 . 1 . . 1591 . . 239 GLN CB . 27445 1 952 . 1 1 239 239 GLN N N 15 112.969 0.08 . 1 . . 48 . . 239 GLN N . 27445 1 953 . 1 1 240 240 HIS H H 1 7.64 0.01 . 1 . . 127 . . 240 HIS H . 27445 1 954 . 1 1 240 240 HIS C C 13 176.575 0.3 . 1 . . 769 . . 240 HIS C . 27445 1 955 . 1 1 240 240 HIS CA C 13 59.305 0.3 . 1 . . 767 . . 240 HIS CA . 27445 1 956 . 1 1 240 240 HIS CB C 13 30.754 0.3 . 1 . . 768 . . 240 HIS CB . 27445 1 957 . 1 1 240 240 HIS N N 15 120.117 0.08 . 1 . . 128 . . 240 HIS N . 27445 1 958 . 1 1 241 241 PHE H H 1 8.817 0.01 . 1 . . 299 . . 241 PHE H . 27445 1 959 . 1 1 241 241 PHE C C 13 179.268 0.3 . 1 . . 702 . . 241 PHE C . 27445 1 960 . 1 1 241 241 PHE CA C 13 56.144 0.3 . 1 . . 703 . . 241 PHE CA . 27445 1 961 . 1 1 241 241 PHE CB C 13 35.933 0.3 . 1 . . 1119 . . 241 PHE CB . 27445 1 962 . 1 1 241 241 PHE N N 15 119.183 0.08 . 1 . . 300 . . 241 PHE N . 27445 1 963 . 1 1 242 242 TYR H H 1 8.222 0.01 . 1 . . 52 . . 242 TYR H . 27445 1 964 . 1 1 242 242 TYR C C 13 176.755 0.3 . 1 . . 1163 . . 242 TYR C . 27445 1 965 . 1 1 242 242 TYR CA C 13 60.909 0.3 . 1 . . 1162 . . 242 TYR CA . 27445 1 966 . 1 1 242 242 TYR CB C 13 38.55 0.3 . 1 . . 1593 . . 242 TYR CB . 27445 1 967 . 1 1 242 242 TYR N N 15 117.898 0.08 . 1 . . 51 . . 242 TYR N . 27445 1 968 . 1 1 243 243 GLN H H 1 7.251 0.01 . 1 . . 266 . . 243 GLN H . 27445 1 969 . 1 1 243 243 GLN C C 13 177.573 0.3 . 1 . . 1311 . . 243 GLN C . 27445 1 970 . 1 1 243 243 GLN CA C 13 58.174 0.3 . 1 . . 1310 . . 243 GLN CA . 27445 1 971 . 1 1 243 243 GLN CB C 13 31.203 0.3 . 1 . . 1594 . . 243 GLN CB . 27445 1 972 . 1 1 243 243 GLN N N 15 114.716 0.08 . 1 . . 265 . . 243 GLN N . 27445 1 973 . 1 1 244 244 GLU H H 1 8.312 0.01 . 1 . . 953 . . 244 GLU H . 27445 1 974 . 1 1 244 244 GLU C C 13 176.284 0.3 . 1 . . 1312 . . 244 GLU C . 27445 1 975 . 1 1 244 244 GLU CA C 13 57.711 0.3 . 1 . . 1313 . . 244 GLU CA . 27445 1 976 . 1 1 244 244 GLU CB C 13 29.474 0.3 . 1 . . 1314 . . 244 GLU CB . 27445 1 977 . 1 1 244 244 GLU N N 15 119.066 0.08 . 1 . . 954 . . 244 GLU N . 27445 1 978 . 1 1 245 245 ALA H H 1 8.255 0.01 . 1 . . 333 . . 245 ALA H . 27445 1 979 . 1 1 245 245 ALA C C 13 176.981 0.3 . 1 . . 668 . . 245 ALA C . 27445 1 980 . 1 1 245 245 ALA CA C 13 51.303 0.3 . 1 . . 669 . . 245 ALA CA . 27445 1 981 . 1 1 245 245 ALA CB C 13 16.416 0.3 . 1 . . 667 . . 245 ALA CB . 27445 1 982 . 1 1 245 245 ALA N N 15 122.865 0.08 . 1 . . 334 . . 245 ALA N . 27445 1 983 . 1 1 246 246 ALA H H 1 9.474 0.01 . 1 . . 373 . . 246 ALA H . 27445 1 984 . 1 1 246 246 ALA C C 13 175.219 0.3 . 1 . . 1595 . . 246 ALA C . 27445 1 985 . 1 1 246 246 ALA CA C 13 49.618 0.3 . 1 . . 1596 . . 246 ALA CA . 27445 1 986 . 1 1 246 246 ALA CB C 13 17.727 0.3 . 1 . . 1597 . . 246 ALA CB . 27445 1 987 . 1 1 246 246 ALA N N 15 126.485 0.08 . 1 . . 374 . . 246 ALA N . 27445 1 988 . 1 1 247 247 PRO C C 13 176.777 0.3 . 1 . . 1598 . . 247 PRO C . 27445 1 989 . 1 1 247 247 PRO CA C 13 61.819 0.3 . 1 . . 1599 . . 247 PRO CA . 27445 1 990 . 1 1 247 247 PRO CB C 13 30.89 0.3 . 1 . . 1600 . . 247 PRO CB . 27445 1 991 . 1 1 248 248 ALA H H 1 8.561 0.01 . 1 . . 419 . . 248 ALA H . 27445 1 992 . 1 1 248 248 ALA C C 13 178.131 0.3 . 1 . . 1295 . . 248 ALA C . 27445 1 993 . 1 1 248 248 ALA CA C 13 50.136 0.3 . 1 . . 1296 . . 248 ALA CA . 27445 1 994 . 1 1 248 248 ALA CB C 13 17.162 0.3 . 1 . . 1601 . . 248 ALA CB . 27445 1 995 . 1 1 248 248 ALA N N 15 126.782 0.08 . 1 . . 420 . . 248 ALA N . 27445 1 996 . 1 1 249 249 GLN H H 1 3.556 0.01 . 1 . . 557 . . 249 GLN H . 27445 1 997 . 1 1 249 249 GLN C C 13 174.893 0.3 . 1 . . 1602 . . 249 GLN C . 27445 1 998 . 1 1 249 249 GLN CA C 13 54.895 0.3 . 1 . . 1294 . . 249 GLN CA . 27445 1 999 . 1 1 249 249 GLN CB C 13 26.419 0.3 . 1 . . 1293 . . 249 GLN CB . 27445 1 1000 . 1 1 249 249 GLN N N 15 119.463 0.08 . 1 . . 558 . . 249 GLN N . 27445 1 1001 . 1 1 250 250 SER H H 1 6.578 0.01 . 1 . . 454 . . 250 SER H . 27445 1 1002 . 1 1 250 250 SER C C 13 172.19 0.3 . 1 . . 828 . . 250 SER C . 27445 1 1003 . 1 1 250 250 SER CA C 13 55.949 0.3 . 1 . . 830 . . 250 SER CA . 27445 1 1004 . 1 1 250 250 SER CB C 13 63.29 0.3 . 1 . . 829 . . 250 SER CB . 27445 1 1005 . 1 1 250 250 SER N N 15 114.462 0.08 . 1 . . 453 . . 250 SER N . 27445 1 1006 . 1 1 251 251 ASP H H 1 8.25 0.01 . 1 . . 459 . . 251 ASP H . 27445 1 1007 . 1 1 251 251 ASP C C 13 176.57 0.3 . 1 . . 832 . . 251 ASP C . 27445 1 1008 . 1 1 251 251 ASP CA C 13 55.598 0.3 . 1 . . 1603 . . 251 ASP CA . 27445 1 1009 . 1 1 251 251 ASP CB C 13 41.054 0.3 . 1 . . 831 . . 251 ASP CB . 27445 1 1010 . 1 1 251 251 ASP N N 15 114.298 0.08 . 1 . . 460 . . 251 ASP N . 27445 1 1011 . 1 1 252 252 VAL H H 1 8.195 0.01 . 1 . . 72 . . 252 VAL H . 27445 1 1012 . 1 1 252 252 VAL C C 13 171.869 0.3 . 1 . . 1080 . . 252 VAL C . 27445 1 1013 . 1 1 252 252 VAL CA C 13 61.046 0.3 . 1 . . 826 . . 252 VAL CA . 27445 1 1014 . 1 1 252 252 VAL CB C 13 34.475 0.3 . 1 . . 827 . . 252 VAL CB . 27445 1 1015 . 1 1 252 252 VAL N N 15 119.183 0.08 . 1 . . 71 . . 252 VAL N . 27445 1 1016 . 1 1 253 253 ALA H H 1 9.041 0.01 . 1 . . 67 . . 253 ALA H . 27445 1 1017 . 1 1 253 253 ALA C C 13 175 0.3 . 1 . . 1281 . . 253 ALA C . 27445 1 1018 . 1 1 253 253 ALA CA C 13 49.443 0.3 . 1 . . 1280 . . 253 ALA CA . 27445 1 1019 . 1 1 253 253 ALA CB C 13 18.313 0.3 . 1 . . 1279 . . 253 ALA CB . 27445 1 1020 . 1 1 253 253 ALA N N 15 131.087 0.08 . 1 . . 68 . . 253 ALA N . 27445 1 1021 . 1 1 254 254 LEU H H 1 9.025 0.01 . 1 . . 573 . . 254 LEU H . 27445 1 1022 . 1 1 254 254 LEU C C 13 175.144 0.3 . 1 . . 1359 . . 254 LEU C . 27445 1 1023 . 1 1 254 254 LEU CA C 13 54.003 0.3 . 1 . . 1361 . . 254 LEU CA . 27445 1 1024 . 1 1 254 254 LEU CB C 13 42.237 0.3 . 1 . . 1360 . . 254 LEU CB . 27445 1 1025 . 1 1 254 254 LEU N N 15 126.447 0.08 . 1 . . 574 . . 254 LEU N . 27445 1 1026 . 1 1 255 255 LEU H H 1 8.92 0.01 . 1 . . 63 . . 255 LEU H . 27445 1 1027 . 1 1 255 255 LEU C C 13 175.626 0.3 . 1 . . 718 . . 255 LEU C . 27445 1 1028 . 1 1 255 255 LEU CA C 13 51.582 0.3 . 1 . . 717 . . 255 LEU CA . 27445 1 1029 . 1 1 255 255 LEU CB C 13 42.84 0.3 . 1 . . 1126 . . 255 LEU CB . 27445 1 1030 . 1 1 255 255 LEU N N 15 126.323 0.08 . 1 . . 64 . . 255 LEU N . 27445 1 1031 . 1 1 256 256 ARG H H 1 9 0.01 . 1 . . 428 . . 256 ARG H . 27445 1 1032 . 1 1 256 256 ARG C C 13 173.643 0.3 . 1 . . 691 . . 256 ARG C . 27445 1 1033 . 1 1 256 256 ARG CA C 13 54.444 0.3 . 1 . . 690 . . 256 ARG CA . 27445 1 1034 . 1 1 256 256 ARG CB C 13 31.987 0.3 . 1 . . 692 . . 256 ARG CB . 27445 1 1035 . 1 1 256 256 ARG N N 15 122.404 0.08 . 1 . . 427 . . 256 ARG N . 27445 1 1036 . 1 1 257 257 PHE H H 1 8.412 0.01 . 1 . . 87 . . 257 PHE H . 27445 1 1037 . 1 1 257 257 PHE C C 13 174.451 0.3 . 1 . . 725 . . 257 PHE C . 27445 1 1038 . 1 1 257 257 PHE CA C 13 56.064 0.3 . 1 . . 726 . . 257 PHE CA . 27445 1 1039 . 1 1 257 257 PHE CB C 13 38.664 0.3 . 1 . . 727 . . 257 PHE CB . 27445 1 1040 . 1 1 257 257 PHE N N 15 126.164 0.08 . 1 . . 88 . . 257 PHE N . 27445 1 1041 . 1 1 258 258 VAL H H 1 8.101 0.01 . 1 . . 355 . . 258 VAL H . 27445 1 1042 . 1 1 258 258 VAL C C 13 173.618 0.3 . 1 . . 655 . . 258 VAL C . 27445 1 1043 . 1 1 258 258 VAL CA C 13 59.295 0.3 . 1 . . 654 . . 258 VAL CA . 27445 1 1044 . 1 1 258 258 VAL CB C 13 34.185 0.3 . 1 . . 1092 . . 258 VAL CB . 27445 1 1045 . 1 1 258 258 VAL N N 15 127.244 0.08 . 1 . . 356 . . 258 VAL N . 27445 1 1046 . 1 1 259 259 ASN H H 1 7.853 0.01 . 1 . . 14 . . 259 ASN H . 27445 1 1047 . 1 1 259 259 ASN C C 13 174.792 0.3 . 1 . . 1604 . . 259 ASN C . 27445 1 1048 . 1 1 259 259 ASN CA C 13 48.412 0.3 . 1 . . 1605 . . 259 ASN CA . 27445 1 1049 . 1 1 259 259 ASN CB C 13 38.684 0.3 . 1 . . 1606 . . 259 ASN CB . 27445 1 1050 . 1 1 259 259 ASN N N 15 120.07 0.08 . 1 . . 13 . . 259 ASN N . 27445 1 1051 . 1 1 260 260 PRO C C 13 177.566 0.3 . 1 . . 1607 . . 260 PRO C . 27445 1 1052 . 1 1 260 260 PRO CA C 13 63.516 0.3 . 1 . . 1608 . . 260 PRO CA . 27445 1 1053 . 1 1 260 260 PRO CB C 13 31.22 0.3 . 1 . . 1610 . . 260 PRO CB . 27445 1 1054 . 1 1 261 261 ASP H H 1 8.014 0.01 . 1 . . 488 . . 261 ASP H . 27445 1 1055 . 1 1 261 261 ASP C C 13 177.562 0.3 . 1 . . 1369 . . 261 ASP C . 27445 1 1056 . 1 1 261 261 ASP CA C 13 56.336 0.3 . 1 . . 1370 . . 261 ASP CA . 27445 1 1057 . 1 1 261 261 ASP CB C 13 40.074 0.3 . 1 . . 1609 . . 261 ASP CB . 27445 1 1058 . 1 1 261 261 ASP N N 15 119.835 0.08 . 1 . . 487 . . 261 ASP N . 27445 1 1059 . 1 1 262 262 THR H H 1 6.878 0.01 . 1 . . 532 . . 262 THR H . 27445 1 1060 . 1 1 262 262 THR C C 13 176.305 0.3 . 1 . . 1612 . . 262 THR C . 27445 1 1061 . 1 1 262 262 THR CA C 13 60.143 0.3 . 1 . . 1212 . . 262 THR CA . 27445 1 1062 . 1 1 262 262 THR CB C 13 70.341 0.3 . 1 . . 1213 . . 262 THR CB . 27445 1 1063 . 1 1 262 262 THR N N 15 105.321 0.08 . 1 . . 531 . . 262 THR N . 27445 1 1064 . 1 1 263 263 GLY H H 1 8.509 0.01 . 1 . . 533 . . 263 GLY H . 27445 1 1065 . 1 1 263 263 GLY C C 13 173.724 0.3 . 1 . . 1215 . . 263 GLY C . 27445 1 1066 . 1 1 263 263 GLY CA C 13 44.946 0.3 . 1 . . 1214 . . 263 GLY CA . 27445 1 1067 . 1 1 263 263 GLY N N 15 112.997 0.08 . 1 . . 534 . . 263 GLY N . 27445 1 1068 . 1 1 264 264 ARG H H 1 7.487 0.01 . 1 . . 178 . . 264 ARG H . 27445 1 1069 . 1 1 264 264 ARG C C 13 175.473 0.3 . 1 . . 705 . . 264 ARG C . 27445 1 1070 . 1 1 264 264 ARG CA C 13 55.352 0.3 . 1 . . 706 . . 264 ARG CA . 27445 1 1071 . 1 1 264 264 ARG CB C 13 30.544 0.3 . 1 . . 704 . . 264 ARG CB . 27445 1 1072 . 1 1 264 264 ARG N N 15 120.177 0.08 . 1 . . 177 . . 264 ARG N . 27445 1 1073 . 1 1 265 265 VAL H H 1 8.405 0.01 . 1 . . 302 . . 265 VAL H . 27445 1 1074 . 1 1 265 265 VAL C C 13 176.778 0.3 . 1 . . 610 . . 265 VAL C . 27445 1 1075 . 1 1 265 265 VAL CA C 13 62.026 0.3 . 1 . . 608 . . 265 VAL CA . 27445 1 1076 . 1 1 265 265 VAL CB C 13 31.135 0.3 . 1 . . 609 . . 265 VAL CB . 27445 1 1077 . 1 1 265 265 VAL N N 15 124.256 0.08 . 1 . . 301 . . 265 VAL N . 27445 1 1078 . 1 1 266 266 LEU H H 1 9.452 0.01 . 1 . . 357 . . 266 LEU H . 27445 1 1079 . 1 1 266 266 LEU C C 13 177.473 0.3 . 1 . . 678 . . 266 LEU C . 27445 1 1080 . 1 1 266 266 LEU CA C 13 56.02 0.3 . 1 . . 1110 . . 266 LEU CA . 27445 1 1081 . 1 1 266 266 LEU CB C 13 41.418 0.3 . 1 . . 677 . . 266 LEU CB . 27445 1 1082 . 1 1 266 266 LEU N N 15 131.484 0.08 . 1 . . 358 . . 266 LEU N . 27445 1 1083 . 1 1 267 267 PHE H H 1 7.245 0.01 . 1 . . 137 . . 267 PHE H . 27445 1 1084 . 1 1 267 267 PHE C C 13 171.316 0.3 . 1 . . 825 . . 267 PHE C . 27445 1 1085 . 1 1 267 267 PHE CA C 13 56.102 0.3 . 1 . . 823 . . 267 PHE CA . 27445 1 1086 . 1 1 267 267 PHE CB C 13 39.125 0.3 . 1 . . 824 . . 267 PHE CB . 27445 1 1087 . 1 1 267 267 PHE N N 15 111.763 0.08 . 1 . . 138 . . 267 PHE N . 27445 1 1088 . 1 1 268 268 GLU H H 1 9.009 0.01 . 1 . . 157 . . 268 GLU H . 27445 1 1089 . 1 1 268 268 GLU C C 13 173.923 0.3 . 1 . . 1372 . . 268 GLU C . 27445 1 1090 . 1 1 268 268 GLU CA C 13 52.458 0.3 . 1 . . 1371 . . 268 GLU CA . 27445 1 1091 . 1 1 268 268 GLU CB C 13 32.67 0.3 . 1 . . 1613 . . 268 GLU CB . 27445 1 1092 . 1 1 268 268 GLU N N 15 117.46 0.08 . 1 . . 158 . . 268 GLU N . 27445 1 1093 . 1 1 269 269 CYS H H 1 9.37 0.01 . 1 . . 273 . . 269 CYS H . 27445 1 1094 . 1 1 269 269 CYS C C 13 171.166 0.3 . 1 . . 821 . . 269 CYS C . 27445 1 1095 . 1 1 269 269 CYS CA C 13 55.539 0.3 . 1 . . 822 . . 269 CYS CA . 27445 1 1096 . 1 1 269 269 CYS CB C 13 31.445 0.3 . 1 . . 1614 . . 269 CYS CB . 27445 1 1097 . 1 1 269 269 CYS N N 15 115.002 0.08 . 1 . . 274 . . 269 CYS N . 27445 1 1098 . 1 1 270 270 LYS H H 1 8.792 0.01 . 1 . . 425 . . 270 LYS H . 27445 1 1099 . 1 1 270 270 LYS C C 13 174.31 0.3 . 1 . . 1615 . . 270 LYS C . 27445 1 1100 . 1 1 270 270 LYS CA C 13 54.668 0.3 . 1 . . 1261 . . 270 LYS CA . 27445 1 1101 . 1 1 270 270 LYS CB C 13 34.332 0.3 . 1 . . 1260 . . 270 LYS CB . 27445 1 1102 . 1 1 270 270 LYS N N 15 120.725 0.08 . 1 . . 426 . . 270 LYS N . 27445 1 1103 . 1 1 271 271 LEU H H 1 9.337 0.01 . 1 . . 240 . . 271 LEU H . 27445 1 1104 . 1 1 271 271 LEU C C 13 174.271 0.3 . 1 . . 1616 . . 271 LEU C . 27445 1 1105 . 1 1 271 271 LEU CA C 13 52.694 0.3 . 1 . . 791 . . 271 LEU CA . 27445 1 1106 . 1 1 271 271 LEU CB C 13 41.086 0.3 . 1 . . 790 . . 271 LEU CB . 27445 1 1107 . 1 1 271 271 LEU N N 15 125.456 0.08 . 1 . . 239 . . 271 LEU N . 27445 1 1108 . 1 1 272 272 HIS H H 1 9.031 0.01 . 1 . . 69 . . 272 HIS H . 27445 1 1109 . 1 1 272 272 HIS C C 13 178.207 0.3 . 1 . . 1194 . . 272 HIS C . 27445 1 1110 . 1 1 272 272 HIS CA C 13 56.882 0.3 . 1 . . 1193 . . 272 HIS CA . 27445 1 1111 . 1 1 272 272 HIS CB C 13 29.838 0.3 . 1 . . 1195 . . 272 HIS CB . 27445 1 1112 . 1 1 272 272 HIS N N 15 129.75 0.08 . 1 . . 70 . . 272 HIS N . 27445 1 1113 . 1 1 273 273 LYS H H 1 8.333 0.01 . 1 . . 569 . . 273 LYS H . 27445 1 1114 . 1 1 273 273 LYS C C 13 176.786 0.3 . 1 . . 1617 . . 273 LYS C . 27445 1 1115 . 1 1 273 273 LYS CA C 13 58.17 0.3 . 1 . . 1619 . . 273 LYS CA . 27445 1 1116 . 1 1 273 273 LYS CB C 13 31.238 0.3 . 1 . . 1618 . . 273 LYS CB . 27445 1 1117 . 1 1 273 273 LYS N N 15 125.162 0.08 . 1 . . 570 . . 273 LYS N . 27445 1 1118 . 1 1 277 277 VAL C C 13 176.808 0.3 . 1 . . 1620 . . 277 VAL C . 27445 1 1119 . 1 1 277 277 VAL CA C 13 59.934 0.3 . 1 . . 1621 . . 277 VAL CA . 27445 1 1120 . 1 1 277 277 VAL CB C 13 32.906 0.3 . 1 . . 1623 . . 277 VAL CB . 27445 1 1121 . 1 1 278 278 THR H H 1 9.313 0.01 . 1 . . 291 . . 278 THR H . 27445 1 1122 . 1 1 278 278 THR C C 13 173.722 0.3 . 1 . . 1084 . . 278 THR C . 27445 1 1123 . 1 1 278 278 THR CA C 13 58.872 0.3 . 1 . . 1083 . . 278 THR CA . 27445 1 1124 . 1 1 278 278 THR CB C 13 72.558 0.3 . 1 . . 1622 . . 278 THR CB . 27445 1 1125 . 1 1 278 278 THR N N 15 114.146 0.08 . 1 . . 292 . . 278 THR N . 27445 1 1126 . 1 1 279 279 VAL H H 1 8.969 0.01 . 1 . . 249 . . 279 VAL H . 27445 1 1127 . 1 1 279 279 VAL C C 13 173.782 0.3 . 1 . . 1070 . . 279 VAL C . 27445 1 1128 . 1 1 279 279 VAL CA C 13 58.744 0.3 . 1 . . 1071 . . 279 VAL CA . 27445 1 1129 . 1 1 279 279 VAL CB C 13 35.901 0.3 . 1 . . 1072 . . 279 VAL CB . 27445 1 1130 . 1 1 279 279 VAL N N 15 112.528 0.08 . 1 . . 250 . . 279 VAL N . 27445 1 1131 . 1 1 280 280 ALA H H 1 9.113 0.01 . 1 . . 180 . . 280 ALA H . 27445 1 1132 . 1 1 280 280 ALA C C 13 174.463 0.3 . 1 . . 681 . . 280 ALA C . 27445 1 1133 . 1 1 280 280 ALA CA C 13 50.666 0.3 . 1 . . 682 . . 280 ALA CA . 27445 1 1134 . 1 1 280 280 ALA CB C 13 17.25 0.3 . 1 . . 683 . . 280 ALA CB . 27445 1 1135 . 1 1 280 280 ALA N N 15 127.235 0.08 . 1 . . 179 . . 280 ALA N . 27445 1 1136 . 1 1 281 281 HIS H H 1 7.508 0.01 . 1 . . 415 . . 281 HIS H . 27445 1 1137 . 1 1 281 281 HIS C C 13 172.122 0.3 . 1 . . 1109 . . 281 HIS C . 27445 1 1138 . 1 1 281 281 HIS CA C 13 55.372 0.3 . 1 . . 1107 . . 281 HIS CA . 27445 1 1139 . 1 1 281 281 HIS CB C 13 31.896 0.3 . 1 . . 1108 . . 281 HIS CB . 27445 1 1140 . 1 1 281 281 HIS N N 15 122.487 0.08 . 1 . . 416 . . 281 HIS N . 27445 1 1141 . 1 1 282 282 THR H H 1 7.478 0.01 . 1 . . 232 . . 282 THR H . 27445 1 1142 . 1 1 282 282 THR C C 13 173.592 0.3 . 1 . . 663 . . 282 THR C . 27445 1 1143 . 1 1 282 282 THR CA C 13 60.548 0.3 . 1 . . 661 . . 282 THR CA . 27445 1 1144 . 1 1 282 282 THR CB C 13 69.852 0.3 . 1 . . 662 . . 282 THR CB . 27445 1 1145 . 1 1 282 282 THR N N 15 119.507 0.08 . 1 . . 231 . . 282 THR N . 27445 1 1146 . 1 1 283 283 GLY H H 1 8.904 0.01 . 1 . . 387 . . 283 GLY H . 27445 1 1147 . 1 1 283 283 GLY C C 13 174.139 0.3 . 1 . . 1100 . . 283 GLY C . 27445 1 1148 . 1 1 283 283 GLY CA C 13 42.553 0.3 . 1 . . 1101 . . 283 GLY CA . 27445 1 1149 . 1 1 283 283 GLY N N 15 114.587 0.08 . 1 . . 388 . . 283 GLY N . 27445 1 1150 . 1 1 284 284 GLN H H 1 8.588 0.01 . 1 . . 457 . . 284 GLN H . 27445 1 1151 . 1 1 284 284 GLN C C 13 176.433 0.3 . 1 . . 1297 . . 284 GLN C . 27445 1 1152 . 1 1 284 284 GLN CA C 13 55.479 0.3 . 1 . . 1298 . . 284 GLN CA . 27445 1 1153 . 1 1 284 284 GLN CB C 13 28.624 0.3 . 1 . . 1299 . . 284 GLN CB . 27445 1 1154 . 1 1 284 284 GLN N N 15 121.624 0.08 . 1 . . 458 . . 284 GLN N . 27445 1 1155 . 1 1 285 285 HIS H H 1 8.746 0.01 . 1 . . 515 . . 285 HIS H . 27445 1 1156 . 1 1 285 285 HIS C C 13 172.477 0.3 . 1 . . 1205 . . 285 HIS C . 27445 1 1157 . 1 1 285 285 HIS CA C 13 55.918 0.3 . 1 . . 1204 . . 285 HIS CA . 27445 1 1158 . 1 1 285 285 HIS CB C 13 32.426 0.3 . 1 . . 1206 . . 285 HIS CB . 27445 1 1159 . 1 1 285 285 HIS N N 15 126.026 0.08 . 1 . . 516 . . 285 HIS N . 27445 1 1160 . 1 1 286 286 ASP H H 1 7.975 0.01 . 1 . . 445 . . 286 ASP H . 27445 1 1161 . 1 1 286 286 ASP C C 13 175.124 0.3 . 1 . . 644 . . 286 ASP C . 27445 1 1162 . 1 1 286 286 ASP CA C 13 52.893 0.3 . 1 . . 643 . . 286 ASP CA . 27445 1 1163 . 1 1 286 286 ASP CB C 13 40.215 0.3 . 1 . . 645 . . 286 ASP CB . 27445 1 1164 . 1 1 286 286 ASP N N 15 127.411 0.08 . 1 . . 446 . . 286 ASP N . 27445 1 1165 . 1 1 287 287 LEU H H 1 7.922 0.01 . 1 . . 221 . . 287 LEU H . 27445 1 1166 . 1 1 287 287 LEU C C 13 176.946 0.3 . 1 . . 839 . . 287 LEU C . 27445 1 1167 . 1 1 287 287 LEU CA C 13 56.732 0.3 . 1 . . 840 . . 287 LEU CA . 27445 1 1168 . 1 1 287 287 LEU CB C 13 40.166 0.3 . 1 . . 841 . . 287 LEU CB . 27445 1 1169 . 1 1 287 287 LEU N N 15 124.819 0.08 . 1 . . 222 . . 287 LEU N . 27445 1 1170 . 1 1 288 288 VAL H H 1 8.454 0.01 . 1 . . 33 . . 288 VAL H . 27445 1 1171 . 1 1 288 288 VAL C C 13 175.981 0.3 . 1 . . 1305 . . 288 VAL C . 27445 1 1172 . 1 1 288 288 VAL CA C 13 61.949 0.3 . 1 . . 634 . . 288 VAL CA . 27445 1 1173 . 1 1 288 288 VAL CB C 13 30.253 0.3 . 1 . . 633 . . 288 VAL CB . 27445 1 1174 . 1 1 288 288 VAL N N 15 126.32 0.08 . 1 . . 34 . . 288 VAL N . 27445 1 1175 . 1 1 289 289 ILE H H 1 8.176 0.01 . 1 . . 1021 . . 289 ILE H . 27445 1 1176 . 1 1 289 289 ILE CA C 13 56.856 0.3 . 1 . . 1624 . . 289 ILE CA . 27445 1 1177 . 1 1 289 289 ILE CB C 13 38.754 0.3 . 1 . . 1625 . . 289 ILE CB . 27445 1 1178 . 1 1 289 289 ILE N N 15 121.794 0.08 . 1 . . 1022 . . 289 ILE N . 27445 1 1179 . 1 1 291 291 PRO C C 13 176.931 0.3 . 1 . . 1627 . . 291 PRO C . 27445 1 1180 . 1 1 291 291 PRO CA C 13 63.991 0.3 . 1 . . 1628 . . 291 PRO CA . 27445 1 1181 . 1 1 291 291 PRO CB C 13 30.821 0.3 . 1 . . 1629 . . 291 PRO CB . 27445 1 1182 . 1 1 292 292 ASN H H 1 8.192 0.01 . 1 . . 8 . . 292 ASN H . 27445 1 1183 . 1 1 292 292 ASN C C 13 175.607 0.3 . 1 . . 1626 . . 292 ASN C . 27445 1 1184 . 1 1 292 292 ASN CA C 13 51.697 0.3 . 1 . . 1630 . . 292 ASN CA . 27445 1 1185 . 1 1 292 292 ASN CB C 13 36.484 0.3 . 1 . . 770 . . 292 ASN CB . 27445 1 1186 . 1 1 292 292 ASN N N 15 112.722 0.08 . 1 . . 7 . . 292 ASN N . 27445 1 1187 . 1 1 293 293 GLY H H 1 7.663 0.01 . 1 . . 253 . . 293 GLY H . 27445 1 1188 . 1 1 293 293 GLY C C 13 171.243 0.3 . 1 . . 611 . . 293 GLY C . 27445 1 1189 . 1 1 293 293 GLY CA C 13 45.403 0.3 . 1 . . 612 . . 293 GLY CA . 27445 1 1190 . 1 1 293 293 GLY N N 15 106.873 0.08 . 1 . . 254 . . 293 GLY N . 27445 1 1191 . 1 1 294 294 TYR H H 1 6.972 0.01 . 1 . . 106 . . 294 TYR H . 27445 1 1192 . 1 1 294 294 TYR C C 13 172.543 0.3 . 1 . . 606 . . 294 TYR C . 27445 1 1193 . 1 1 294 294 TYR CA C 13 55.283 0.3 . 1 . . 607 . . 294 TYR CA . 27445 1 1194 . 1 1 294 294 TYR CB C 13 39.844 0.3 . 1 . . 605 . . 294 TYR CB . 27445 1 1195 . 1 1 294 294 TYR N N 15 115.426 0.08 . 1 . . 105 . . 294 TYR N . 27445 1 1196 . 1 1 295 295 PHE H H 1 8.667 0.01 . 1 . . 263 . . 295 PHE H . 27445 1 1197 . 1 1 295 295 PHE C C 13 174.57 0.3 . 1 . . 693 . . 295 PHE C . 27445 1 1198 . 1 1 295 295 PHE CA C 13 57.72 0.3 . 1 . . 694 . . 295 PHE CA . 27445 1 1199 . 1 1 295 295 PHE CB C 13 41.526 0.3 . 1 . . 695 . . 295 PHE CB . 27445 1 1200 . 1 1 295 295 PHE N N 15 117.061 0.08 . 1 . . 264 . . 295 PHE N . 27445 1 1201 . 1 1 296 296 ARG H H 1 9.087 0.01 . 1 . . 565 . . 296 ARG H . 27445 1 1202 . 1 1 296 296 ARG C C 13 175.222 0.3 . 1 . . 816 . . 296 ARG C . 27445 1 1203 . 1 1 296 296 ARG CA C 13 54.301 0.3 . 1 . . 815 . . 296 ARG CA . 27445 1 1204 . 1 1 296 296 ARG CB C 13 33.708 0.3 . 1 . . 817 . . 296 ARG CB . 27445 1 1205 . 1 1 296 296 ARG N N 15 120.215 0.08 . 1 . . 566 . . 296 ARG N . 27445 1 1206 . 1 1 297 297 PHE H H 1 8.789 0.01 . 1 . . 139 . . 297 PHE H . 27445 1 1207 . 1 1 297 297 PHE C C 13 173.493 0.3 . 1 . . 776 . . 297 PHE C . 27445 1 1208 . 1 1 297 297 PHE CA C 13 58.114 0.3 . 1 . . 777 . . 297 PHE CA . 27445 1 1209 . 1 1 297 297 PHE CB C 13 38.085 0.3 . 1 . . 778 . . 297 PHE CB . 27445 1 1210 . 1 1 297 297 PHE N N 15 126.023 0.08 . 1 . . 140 . . 297 PHE N . 27445 1 1211 . 1 1 298 298 ASP H H 1 8.135 0.01 . 1 . . 477 . . 298 ASP H . 27445 1 1212 . 1 1 298 298 ASP C C 13 174.754 0.3 . 1 . . 739 . . 298 ASP C . 27445 1 1213 . 1 1 298 298 ASP CA C 13 54.673 0.3 . 1 . . 738 . . 298 ASP CA . 27445 1 1214 . 1 1 298 298 ASP CB C 13 43.187 0.3 . 1 . . 1631 . . 298 ASP CB . 27445 1 1215 . 1 1 298 298 ASP N N 15 129.283 0.08 . 1 . . 478 . . 298 ASP N . 27445 1 1216 . 1 1 299 299 SER H H 1 6.209 0.01 . 1 . . 305 . . 299 SER H . 27445 1 1217 . 1 1 299 299 SER C C 13 172.386 0.3 . 1 . . 1063 . . 299 SER C . 27445 1 1218 . 1 1 299 299 SER CA C 13 57.401 0.3 . 1 . . 1064 . . 299 SER CA . 27445 1 1219 . 1 1 299 299 SER CB C 13 63.892 0.3 . 1 . . 1065 . . 299 SER CB . 27445 1 1220 . 1 1 299 299 SER N N 15 109.367 0.08 . 1 . . 306 . . 299 SER N . 27445 1 1221 . 1 1 300 300 TRP H H 1 8.678 0.01 . 1 . . 255 . . 300 TRP H . 27445 1 1222 . 1 1 300 300 TRP C C 13 177.136 0.3 . 1 . . 624 . . 300 TRP C . 27445 1 1223 . 1 1 300 300 TRP CA C 13 56.964 0.3 . 1 . . 625 . . 300 TRP CA . 27445 1 1224 . 1 1 300 300 TRP CB C 13 28.101 0.3 . 1 . . 626 . . 300 TRP CB . 27445 1 1225 . 1 1 300 300 TRP N N 15 124.772 0.08 . 1 . . 256 . . 300 TRP N . 27445 1 1226 . 1 1 301 301 VAL H H 1 8.866 0.01 . 1 . . 369 . . 301 VAL H . 27445 1 1227 . 1 1 301 301 VAL C C 13 174.914 0.3 . 1 . . 637 . . 301 VAL C . 27445 1 1228 . 1 1 301 301 VAL CA C 13 58.535 0.3 . 1 . . 639 . . 301 VAL CA . 27445 1 1229 . 1 1 301 301 VAL CB C 13 33.506 0.3 . 1 . . 638 . . 301 VAL CB . 27445 1 1230 . 1 1 301 301 VAL N N 15 118.198 0.08 . 1 . . 370 . . 301 VAL N . 27445 1 1231 . 1 1 302 302 ASN H H 1 7.877 0.01 . 1 . . 117 . . 302 ASN H . 27445 1 1232 . 1 1 302 302 ASN C C 13 175.635 0.3 . 1 . . 1632 . . 302 ASN C . 27445 1 1233 . 1 1 302 302 ASN CA C 13 51.521 0.3 . 1 . . 788 . . 302 ASN CA . 27445 1 1234 . 1 1 302 302 ASN CB C 13 39.17 0.3 . 1 . . 789 . . 302 ASN CB . 27445 1 1235 . 1 1 302 302 ASN N N 15 117.586 0.08 . 1 . . 118 . . 302 ASN N . 27445 1 1236 . 1 1 303 303 GLN H H 1 8.84 0.01 . 1 . . 207 . . 303 GLN H . 27445 1 1237 . 1 1 303 303 GLN C C 13 175.838 0.3 . 1 . . 836 . . 303 GLN C . 27445 1 1238 . 1 1 303 303 GLN CA C 13 57.405 0.3 . 1 . . 837 . . 303 GLN CA . 27445 1 1239 . 1 1 303 303 GLN CB C 13 27.424 0.3 . 1 . . 838 . . 303 GLN CB . 27445 1 1240 . 1 1 303 303 GLN N N 15 115.98 0.08 . 1 . . 208 . . 303 GLN N . 27445 1 1241 . 1 1 304 304 PHE H H 1 7.78 0.01 . 1 . . 439 . . 304 PHE H . 27445 1 1242 . 1 1 304 304 PHE C C 13 174.582 0.3 . 1 . . 1140 . . 304 PHE C . 27445 1 1243 . 1 1 304 304 PHE CA C 13 55.932 0.3 . 1 . . 1138 . . 304 PHE CA . 27445 1 1244 . 1 1 304 304 PHE CB C 13 37.316 0.3 . 1 . . 1139 . . 304 PHE CB . 27445 1 1245 . 1 1 304 304 PHE N N 15 117.925 0.08 . 1 . . 440 . . 304 PHE N . 27445 1 1246 . 1 1 305 305 TYR H H 1 7.133 0.01 . 1 . . 1023 . . 305 TYR H . 27445 1 1247 . 1 1 305 305 TYR C C 13 174.63 0.3 . 1 . . 1287 . . 305 TYR C . 27445 1 1248 . 1 1 305 305 TYR CA C 13 59.241 0.3 . 1 . . 1286 . . 305 TYR CA . 27445 1 1249 . 1 1 305 305 TYR CB C 13 38.519 0.3 . 1 . . 1285 . . 305 TYR CB . 27445 1 1250 . 1 1 305 305 TYR N N 15 122.859 0.08 . 1 . . 1024 . . 305 TYR N . 27445 1 1251 . 1 1 306 306 THR H H 1 7.425 0.01 . 1 . . 61 . . 306 THR H . 27445 1 1252 . 1 1 306 306 THR C C 13 173.468 0.3 . 1 . . 741 . . 306 THR C . 27445 1 1253 . 1 1 306 306 THR CA C 13 60.67 0.3 . 1 . . 740 . . 306 THR CA . 27445 1 1254 . 1 1 306 306 THR CB C 13 68.777 0.3 . 1 . . 742 . . 306 THR CB . 27445 1 1255 . 1 1 306 306 THR N N 15 125.035 0.08 . 1 . . 62 . . 306 THR N . 27445 1 1256 . 1 1 307 307 LEU H H 1 9.328 0.01 . 1 . . 495 . . 307 LEU H . 27445 1 1257 . 1 1 307 307 LEU C C 13 177.335 0.3 . 1 . . 1283 . . 307 LEU C . 27445 1 1258 . 1 1 307 307 LEU CA C 13 53.407 0.3 . 1 . . 1282 . . 307 LEU CA . 27445 1 1259 . 1 1 307 307 LEU CB C 13 42.634 0.3 . 1 . . 1284 . . 307 LEU CB . 27445 1 1260 . 1 1 307 307 LEU N N 15 129.19 0.08 . 1 . . 496 . . 307 LEU N . 27445 1 1261 . 1 1 308 308 ALA H H 1 9.033 0.01 . 1 . . 501 . . 308 ALA H . 27445 1 1262 . 1 1 308 308 ALA C C 13 176.29 0.3 . 1 . . 1633 . . 308 ALA C . 27445 1 1263 . 1 1 308 308 ALA CA C 13 49.48 0.3 . 1 . . 1634 . . 308 ALA CA . 27445 1 1264 . 1 1 308 308 ALA CB C 13 16.111 0.3 . 1 . . 1635 . . 308 ALA CB . 27445 1 1265 . 1 1 308 308 ALA N N 15 126.628 0.08 . 1 . . 502 . . 308 ALA N . 27445 1 stop_ save_