data_27978 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27978 _Entry.Title ; Complete 1H, 13C, 15N resonance assignments of the Vpr binding region of hHR23A (residues 223-363) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-07-17 _Entry.Accession_date 2019-07-17 _Entry.Last_release_date 2019-07-18 _Entry.Original_release_date 2019-07-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 In-Ja Byeon . L. . . 27978 2 Jinwon Jung . . . . 27978 3 Chang Byeon . H. . . 27978 4 Angela Gronenborn . M. . . 27978 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Gronenborn Group' . 27978 2 . 'University of Pittsburgh' . 27978 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27978 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 628 27978 '15N chemical shifts' 165 27978 '1H chemical shifts' 1017 27978 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 2 . . 2020-03-31 2019-07-17 update BMRB 'update entry citation' 27978 1 . . 2019-11-08 2019-07-17 original author 'original release' 27978 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4757 '1H, 13C, 15N Chemical Shift Assignment for the UBA(2) Domain of HHR23A' 27978 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27978 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31463759 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Complete 1H, 13C, 15N resonance assignments and secondary structure of the Vpr binding region of hHR23A (residues 223-363) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 13 _Citation.Page_last 17 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 In-Ja Byeon . L. . . 27978 1 2 Jinwon Jung . . . . 27978 1 3 Chang Byeon . H. . . 27978 1 4 Maria DeLucia . . . . 27978 1 5 Jinwoo Ahn . . . . 27978 1 6 Angela Gronenborn . M. . . 27978 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA repair protein' 27978 1 NMR 27978 1 RAD23 27978 1 Vpr-binding 27978 1 hHR23A 27978 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27978 _Assembly.ID 1 _Assembly.Name 'hHR23A(223-363) monomoer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 16926.83 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'hHR23A(223-363) monomoer' 1 $hHR23A A . yes native no yes . . . 27978 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA repair protein' 27978 1 Vpr-binding 27978 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hHR23A _Entity.Sf_category entity _Entity.Sf_framecode hHR23A _Entity.Entry_ID 27978 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hHR23A _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ATEAAGENPLEFLRDQPQFQ NMRQVIQQNPALLPALLQQL GQENPQLLQQISRHQEQFIQ MLNEPPGELADISDVEGEVG AIGEEAPQMNYIQVTPQEKE AIERLKALGFPESLVIQAYF ACEKNENLAANFLLSQNFDD ELEHHHHHH ; _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 149 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'hHR23A (residues 223-363)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP P54725 . RD23A_HUMAN . . . . . . . . . . . . . . 27978 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 1 223 ALA . 27978 1 2 224 THR . 27978 1 3 225 GLU . 27978 1 4 226 ALA . 27978 1 5 227 ALA . 27978 1 6 228 GLY . 27978 1 7 229 GLU . 27978 1 8 230 ASN . 27978 1 9 231 PRO . 27978 1 10 232 LEU . 27978 1 11 233 GLU . 27978 1 12 234 PHE . 27978 1 13 235 LEU . 27978 1 14 236 ARG . 27978 1 15 237 ASP . 27978 1 16 238 GLN . 27978 1 17 239 PRO . 27978 1 18 240 GLN . 27978 1 19 241 PHE . 27978 1 20 242 GLN . 27978 1 21 243 ASN . 27978 1 22 244 MET . 27978 1 23 245 ARG . 27978 1 24 246 GLN . 27978 1 25 247 VAL . 27978 1 26 248 ILE . 27978 1 27 249 GLN . 27978 1 28 250 GLN . 27978 1 29 251 ASN . 27978 1 30 252 PRO . 27978 1 31 253 ALA . 27978 1 32 254 LEU . 27978 1 33 255 LEU . 27978 1 34 256 PRO . 27978 1 35 257 ALA . 27978 1 36 258 LEU . 27978 1 37 259 LEU . 27978 1 38 260 GLN . 27978 1 39 261 GLN . 27978 1 40 262 LEU . 27978 1 41 263 GLY . 27978 1 42 264 GLN . 27978 1 43 265 GLU . 27978 1 44 266 ASN . 27978 1 45 267 PRO . 27978 1 46 268 GLN . 27978 1 47 269 LEU . 27978 1 48 270 LEU . 27978 1 49 271 GLN . 27978 1 50 272 GLN . 27978 1 51 273 ILE . 27978 1 52 274 SER . 27978 1 53 275 ARG . 27978 1 54 276 HIS . 27978 1 55 277 GLN . 27978 1 56 278 GLU . 27978 1 57 279 GLN . 27978 1 58 280 PHE . 27978 1 59 281 ILE . 27978 1 60 282 GLN . 27978 1 61 283 MET . 27978 1 62 284 LEU . 27978 1 63 285 ASN . 27978 1 64 286 GLU . 27978 1 65 287 PRO . 27978 1 66 288 PRO . 27978 1 67 289 GLY . 27978 1 68 290 GLU . 27978 1 69 291 LEU . 27978 1 70 292 ALA . 27978 1 71 293 ASP . 27978 1 72 294 ILE . 27978 1 73 295 SER . 27978 1 74 296 ASP . 27978 1 75 297 VAL . 27978 1 76 298 GLU . 27978 1 77 299 GLY . 27978 1 78 300 GLU . 27978 1 79 301 VAL . 27978 1 80 302 GLY . 27978 1 81 303 ALA . 27978 1 82 304 ILE . 27978 1 83 305 GLY . 27978 1 84 306 GLU . 27978 1 85 307 GLU . 27978 1 86 308 ALA . 27978 1 87 309 PRO . 27978 1 88 310 GLN . 27978 1 89 311 MET . 27978 1 90 312 ASN . 27978 1 91 313 TYR . 27978 1 92 314 ILE . 27978 1 93 315 GLN . 27978 1 94 316 VAL . 27978 1 95 317 THR . 27978 1 96 318 PRO . 27978 1 97 319 GLN . 27978 1 98 320 GLU . 27978 1 99 321 LYS . 27978 1 100 322 GLU . 27978 1 101 323 ALA . 27978 1 102 324 ILE . 27978 1 103 325 GLU . 27978 1 104 326 ARG . 27978 1 105 327 LEU . 27978 1 106 328 LYS . 27978 1 107 329 ALA . 27978 1 108 330 LEU . 27978 1 109 331 GLY . 27978 1 110 332 PHE . 27978 1 111 333 PRO . 27978 1 112 334 GLU . 27978 1 113 335 SER . 27978 1 114 336 LEU . 27978 1 115 337 VAL . 27978 1 116 338 ILE . 27978 1 117 339 GLN . 27978 1 118 340 ALA . 27978 1 119 341 TYR . 27978 1 120 342 PHE . 27978 1 121 343 ALA . 27978 1 122 344 CYS . 27978 1 123 345 GLU . 27978 1 124 346 LYS . 27978 1 125 347 ASN . 27978 1 126 348 GLU . 27978 1 127 349 ASN . 27978 1 128 350 LEU . 27978 1 129 351 ALA . 27978 1 130 352 ALA . 27978 1 131 353 ASN . 27978 1 132 354 PHE . 27978 1 133 355 LEU . 27978 1 134 356 LEU . 27978 1 135 357 SER . 27978 1 136 358 GLN . 27978 1 137 359 ASN . 27978 1 138 360 PHE . 27978 1 139 361 ASP . 27978 1 140 362 ASP . 27978 1 141 363 GLU . 27978 1 142 . LEU . 27978 1 143 . GLU . 27978 1 144 . HIS . 27978 1 145 . HIS . 27978 1 146 . HIS . 27978 1 147 . HIS . 27978 1 148 . HIS . 27978 1 149 . HIS . 27978 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 . ALA 1 1 27978 1 . THR 2 2 27978 1 . GLU 3 3 27978 1 . ALA 4 4 27978 1 . ALA 5 5 27978 1 . GLY 6 6 27978 1 . GLU 7 7 27978 1 . ASN 8 8 27978 1 . PRO 9 9 27978 1 . LEU 10 10 27978 1 . GLU 11 11 27978 1 . PHE 12 12 27978 1 . LEU 13 13 27978 1 . ARG 14 14 27978 1 . ASP 15 15 27978 1 . GLN 16 16 27978 1 . PRO 17 17 27978 1 . GLN 18 18 27978 1 . PHE 19 19 27978 1 . GLN 20 20 27978 1 . ASN 21 21 27978 1 . MET 22 22 27978 1 . ARG 23 23 27978 1 . GLN 24 24 27978 1 . VAL 25 25 27978 1 . ILE 26 26 27978 1 . GLN 27 27 27978 1 . GLN 28 28 27978 1 . ASN 29 29 27978 1 . PRO 30 30 27978 1 . ALA 31 31 27978 1 . LEU 32 32 27978 1 . LEU 33 33 27978 1 . PRO 34 34 27978 1 . ALA 35 35 27978 1 . LEU 36 36 27978 1 . LEU 37 37 27978 1 . GLN 38 38 27978 1 . GLN 39 39 27978 1 . LEU 40 40 27978 1 . GLY 41 41 27978 1 . GLN 42 42 27978 1 . GLU 43 43 27978 1 . ASN 44 44 27978 1 . PRO 45 45 27978 1 . GLN 46 46 27978 1 . LEU 47 47 27978 1 . LEU 48 48 27978 1 . GLN 49 49 27978 1 . GLN 50 50 27978 1 . ILE 51 51 27978 1 . SER 52 52 27978 1 . ARG 53 53 27978 1 . HIS 54 54 27978 1 . GLN 55 55 27978 1 . GLU 56 56 27978 1 . GLN 57 57 27978 1 . PHE 58 58 27978 1 . ILE 59 59 27978 1 . GLN 60 60 27978 1 . MET 61 61 27978 1 . LEU 62 62 27978 1 . ASN 63 63 27978 1 . GLU 64 64 27978 1 . PRO 65 65 27978 1 . PRO 66 66 27978 1 . GLY 67 67 27978 1 . GLU 68 68 27978 1 . LEU 69 69 27978 1 . ALA 70 70 27978 1 . ASP 71 71 27978 1 . ILE 72 72 27978 1 . SER 73 73 27978 1 . ASP 74 74 27978 1 . VAL 75 75 27978 1 . GLU 76 76 27978 1 . GLY 77 77 27978 1 . GLU 78 78 27978 1 . VAL 79 79 27978 1 . GLY 80 80 27978 1 . ALA 81 81 27978 1 . ILE 82 82 27978 1 . GLY 83 83 27978 1 . GLU 84 84 27978 1 . GLU 85 85 27978 1 . ALA 86 86 27978 1 . PRO 87 87 27978 1 . GLN 88 88 27978 1 . MET 89 89 27978 1 . ASN 90 90 27978 1 . TYR 91 91 27978 1 . ILE 92 92 27978 1 . GLN 93 93 27978 1 . VAL 94 94 27978 1 . THR 95 95 27978 1 . PRO 96 96 27978 1 . GLN 97 97 27978 1 . GLU 98 98 27978 1 . LYS 99 99 27978 1 . GLU 100 100 27978 1 . ALA 101 101 27978 1 . ILE 102 102 27978 1 . GLU 103 103 27978 1 . ARG 104 104 27978 1 . LEU 105 105 27978 1 . LYS 106 106 27978 1 . ALA 107 107 27978 1 . LEU 108 108 27978 1 . GLY 109 109 27978 1 . PHE 110 110 27978 1 . PRO 111 111 27978 1 . GLU 112 112 27978 1 . SER 113 113 27978 1 . LEU 114 114 27978 1 . VAL 115 115 27978 1 . ILE 116 116 27978 1 . GLN 117 117 27978 1 . ALA 118 118 27978 1 . TYR 119 119 27978 1 . PHE 120 120 27978 1 . ALA 121 121 27978 1 . CYS 122 122 27978 1 . GLU 123 123 27978 1 . LYS 124 124 27978 1 . ASN 125 125 27978 1 . GLU 126 126 27978 1 . ASN 127 127 27978 1 . LEU 128 128 27978 1 . ALA 129 129 27978 1 . ALA 130 130 27978 1 . ASN 131 131 27978 1 . PHE 132 132 27978 1 . LEU 133 133 27978 1 . LEU 134 134 27978 1 . SER 135 135 27978 1 . GLN 136 136 27978 1 . ASN 137 137 27978 1 . PHE 138 138 27978 1 . ASP 139 139 27978 1 . ASP 140 140 27978 1 . GLU 141 141 27978 1 . LEU 142 142 27978 1 . GLU 143 143 27978 1 . HIS 144 144 27978 1 . HIS 145 145 27978 1 . HIS 146 146 27978 1 . HIS 147 147 27978 1 . HIS 148 148 27978 1 . HIS 149 149 27978 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 27978 _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 $hHR23A . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27978 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 27978 _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 $hHR23A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pET21 vector' . . . 27978 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27978 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 hHR23A(223-363) '[U-99% 13C; U-99% 15N]' . . 1 $hHR23A . . 0.6 . . mM 0.03 . . . 27978 1 2 DSS '[U-100% 13C]' . . . . . . 0.1 . . mM 0.01 . . . 27978 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM 1 . . . 27978 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 1 . . . 27978 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 27978 1 6 'zinc sulphate' 'natural abundance' . . . . . . 1 . . mM 0.05 . . . 27978 1 7 EDTA 'natural abundance' . . . . . . 1 . . mM 0.05 . . . 27978 1 8 TCEP 'natural abundance' . . . . . . 1 . . mM 0.05 . . . 27978 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27978 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hHR23A(223-363) '[U-99% 13C; U-99% 15N]' . . 1 $hHR23A . . 1.2 . . mM 0.06 . . . 27978 2 2 DSS '[U-100% 13C]' . . . . . . 0.1 . . mM 0.01 . . . 27978 2 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM 1 . . . 27978 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 1 . . . 27978 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 27978 2 6 'zinc sulphate' 'natural abundance' . . . . . . 1 . . mM 0.05 . . . 27978 2 7 EDTA 'natural abundance' . . . . . . 1 . . mM 0.05 . . . 27978 2 8 TCEP 'natural abundance' . . . . . . 1 . . mM 0.05 . . . 27978 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 27978 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 hHR23A(223-363) '[U-99% 13C; U-99% 15N]' . . 1 $hHR23A . . 2.7 . . mM 0.1 . . . 27978 3 2 DSS '[U-100% 13C]' . . . . . . 0.1 . . mM 0.01 . . . 27978 3 3 HEPES 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 27978 3 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 1 . . . 27978 3 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 27978 3 6 'zinc sulphate' 'natural abundance' . . . . . . 1 . . mM 0.05 . . . 27978 3 7 EDTA 'natural abundance' . . . . . . 1 . . mM 0.05 . . . 27978 3 8 TCEP 'natural abundance' . . . . . . 1 . . mM 0.05 . . . 27978 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 27978 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 hHR23A(223-363) '[U-99% 13C; U-99% 15N]' . . 1 $hHR23A . . 0.084 . . mM 0.05 . . . 27978 4 2 MES 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 27978 4 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 1 . . . 27978 4 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 27978 4 5 DTT 'natural abundance' . . . . . . 2 . . mM 0.1 . . . 27978 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27978 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.050 . M 27978 1 pH 7.2 . pH 27978 1 pressure 1 . atm 27978 1 temperature 298 . K 27978 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 27978 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.050 . M 27978 2 pH 6.5 . pH 27978 2 pressure 1 . atm 27978 2 temperature 291 . K 27978 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27978 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27978 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27978 1 . processing 27978 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27978 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27978 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27978 2 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 27978 _Software.ID 3 _Software.Type . _Software.Name CCPN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27978 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27978 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27978 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27978 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27978 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 27978 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27978 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 900 . . . 27978 1 2 spectrometer_2 Bruker Avance . 800 . . . 27978 1 3 spectrometer_3 Bruker Avance . 700 . . . 27978 1 4 spectrometer_4 Bruker Avance . 600 . . . 27978 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 27978 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27978 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27978 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27978 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 27978 1 5 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 27978 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27978 1 7 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 27978 1 8 '3D C(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 27978 1 9 '3D H(CCO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 27978 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 27978 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 27978 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27978 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27978 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27978 1 15 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27978 1 16 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27978 1 17 '3D CBCA(CO)NH' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27978 1 18 '3D HNCACB' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27978 1 19 '3D HNCO' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 27978 1 20 '3D HN(CA)CO' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 27978 1 21 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 27978 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 27978 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27978 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27978 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27978 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27978 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27978 1 2 '2D 1H-15N HSQC' . . . 27978 1 5 '2D 1H-13C HSQC aromatic' . . . 27978 1 6 '3D HNCACB' . . . 27978 1 7 '3D HNCACB' . . . 27978 1 11 '3D HCCH-TOCSY' . . . 27978 1 12 '3D 1H-15N NOESY' . . . 27978 1 13 '3D 1H-15N NOESY' . . . 27978 1 14 '3D 1H-13C NOESY aliphatic' . . . 27978 1 16 '3D 1H-13C NOESY aromatic' . . . 27978 1 20 '3D HN(CA)CO' . . . 27978 1 21 '3D HNCO' . . . 27978 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 3 $CCPN . . 27978 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ALA HA H 1 4.162 0.003 . 1 . . . . . 223 Ala HA . 27978 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.548 0.002 . 1 . . . . . 223 Ala HB1 . 27978 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.548 0.002 . 1 . . . . . 223 Ala HB2 . 27978 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.548 0.002 . 1 . . . . . 223 Ala HB3 . 27978 1 5 . 1 . 1 1 1 ALA CA C 13 52.023 0.000 . 1 . . . . . 223 Ala CA . 27978 1 6 . 1 . 1 1 1 ALA CB C 13 19.671 0.023 . 1 . . . . . 223 Ala CB . 27978 1 7 . 1 . 1 2 2 THR HA H 1 4.366 0.012 . 1 . . . . . 224 Thr HA . 27978 1 8 . 1 . 1 2 2 THR HB H 1 4.203 0.004 . 1 . . . . . 224 Thr HB . 27978 1 9 . 1 . 1 2 2 THR HG21 H 1 1.234 0.007 . 1 . . . . . 224 Thr HG21 . 27978 1 10 . 1 . 1 2 2 THR HG22 H 1 1.234 0.007 . 1 . . . . . 224 Thr HG22 . 27978 1 11 . 1 . 1 2 2 THR HG23 H 1 1.234 0.007 . 1 . . . . . 224 Thr HG23 . 27978 1 12 . 1 . 1 2 2 THR C C 13 174.372 0.000 . 1 . . . . . 224 Thr C . 27978 1 13 . 1 . 1 2 2 THR CA C 13 62.116 0.094 . 1 . . . . . 224 Thr CA . 27978 1 14 . 1 . 1 2 2 THR CB C 13 69.800 0.082 . 1 . . . . . 224 Thr CB . 27978 1 15 . 1 . 1 2 2 THR CG2 C 13 21.722 0.036 . 1 . . . . . 224 Thr CG2 . 27978 1 16 . 1 . 1 3 3 GLU H H 1 8.628 0.002 . 1 . . . . . 225 Glu H . 27978 1 17 . 1 . 1 3 3 GLU HA H 1 4.298 0.008 . 1 . . . . . 225 Glu HA . 27978 1 18 . 1 . 1 3 3 GLU HB2 H 1 2.059 0.008 . 2 . . . . . 225 Glu HB2 . 27978 1 19 . 1 . 1 3 3 GLU HB3 H 1 1.944 0.006 . 2 . . . . . 225 Glu HB3 . 27978 1 20 . 1 . 1 3 3 GLU HG3 H 1 2.279 0.004 . 1 . . . . . 225 Glu HG3 . 27978 1 21 . 1 . 1 3 3 GLU C C 13 176.118 0.000 . 1 . . . . . 225 Glu C . 27978 1 22 . 1 . 1 3 3 GLU CA C 13 56.681 0.064 . 1 . . . . . 225 Glu CA . 27978 1 23 . 1 . 1 3 3 GLU CB C 13 30.337 0.071 . 1 . . . . . 225 Glu CB . 27978 1 24 . 1 . 1 3 3 GLU CG C 13 36.403 0.068 . 1 . . . . . 225 Glu CG . 27978 1 25 . 1 . 1 3 3 GLU N N 15 124.097 0.047 . 1 . . . . . 225 Glu N . 27978 1 26 . 1 . 1 4 4 ALA H H 1 8.429 0.008 . 1 . . . . . 226 Ala H . 27978 1 27 . 1 . 1 4 4 ALA HA H 1 4.309 0.006 . 1 . . . . . 226 Ala HA . 27978 1 28 . 1 . 1 4 4 ALA HB1 H 1 1.390 0.011 . 1 . . . . . 226 Ala HB1 . 27978 1 29 . 1 . 1 4 4 ALA HB2 H 1 1.390 0.011 . 1 . . . . . 226 Ala HB2 . 27978 1 30 . 1 . 1 4 4 ALA HB3 H 1 1.390 0.011 . 1 . . . . . 226 Ala HB3 . 27978 1 31 . 1 . 1 4 4 ALA C C 13 177.415 0.000 . 1 . . . . . 226 Ala C . 27978 1 32 . 1 . 1 4 4 ALA CA C 13 52.684 0.085 . 1 . . . . . 226 Ala CA . 27978 1 33 . 1 . 1 4 4 ALA CB C 13 19.390 0.115 . 1 . . . . . 226 Ala CB . 27978 1 34 . 1 . 1 4 4 ALA N N 15 125.635 0.030 . 1 . . . . . 226 Ala N . 27978 1 35 . 1 . 1 5 5 ALA H H 1 8.343 0.002 . 1 . . . . . 227 Ala H . 27978 1 36 . 1 . 1 5 5 ALA HA H 1 4.322 0.005 . 1 . . . . . 227 Ala HA . 27978 1 37 . 1 . 1 5 5 ALA HB1 H 1 1.410 0.010 . 1 . . . . . 227 Ala HB1 . 27978 1 38 . 1 . 1 5 5 ALA HB2 H 1 1.410 0.010 . 1 . . . . . 227 Ala HB2 . 27978 1 39 . 1 . 1 5 5 ALA HB3 H 1 1.410 0.010 . 1 . . . . . 227 Ala HB3 . 27978 1 40 . 1 . 1 5 5 ALA C C 13 178.276 0.000 . 1 . . . . . 227 Ala C . 27978 1 41 . 1 . 1 5 5 ALA CA C 13 52.549 0.084 . 1 . . . . . 227 Ala CA . 27978 1 42 . 1 . 1 5 5 ALA CB C 13 19.322 0.063 . 1 . . . . . 227 Ala CB . 27978 1 43 . 1 . 1 5 5 ALA N N 15 123.796 0.035 . 1 . . . . . 227 Ala N . 27978 1 44 . 1 . 1 6 6 GLY H H 1 8.333 0.003 . 1 . . . . . 228 Gly H . 27978 1 45 . 1 . 1 6 6 GLY HA2 H 1 3.945 0.005 . 2 . . . . . 228 Gly HA2 . 27978 1 46 . 1 . 1 6 6 GLY HA3 H 1 3.994 0.011 . 2 . . . . . 228 Gly HA3 . 27978 1 47 . 1 . 1 6 6 GLY C C 13 173.995 0.000 . 1 . . . . . 228 Gly C . 27978 1 48 . 1 . 1 6 6 GLY CA C 13 45.195 0.046 . 1 . . . . . 228 Gly CA . 27978 1 49 . 1 . 1 6 6 GLY N N 15 108.121 0.031 . 1 . . . . . 228 Gly N . 27978 1 50 . 1 . 1 7 7 GLU H H 1 8.203 0.003 . 1 . . . . . 229 Glu H . 27978 1 51 . 1 . 1 7 7 GLU HA H 1 4.252 0.004 . 1 . . . . . 229 Glu HA . 27978 1 52 . 1 . 1 7 7 GLU HB2 H 1 1.996 0.013 . 2 . . . . . 229 Glu HB2 . 27978 1 53 . 1 . 1 7 7 GLU HB3 H 1 1.913 0.006 . 2 . . . . . 229 Glu HB3 . 27978 1 54 . 1 . 1 7 7 GLU HG2 H 1 2.178 0.006 . 2 . . . . . 229 Glu HG2 . 27978 1 55 . 1 . 1 7 7 GLU HG3 H 1 2.219 0.006 . 2 . . . . . 229 Glu HG3 . 27978 1 56 . 1 . 1 7 7 GLU C C 13 176.117 0.072 . 1 . . . . . 229 Glu C . 27978 1 57 . 1 . 1 7 7 GLU CA C 13 56.438 0.068 . 1 . . . . . 229 Glu CA . 27978 1 58 . 1 . 1 7 7 GLU CB C 13 30.620 0.069 . 1 . . . . . 229 Glu CB . 27978 1 59 . 1 . 1 7 7 GLU CG C 13 36.196 0.068 . 1 . . . . . 229 Glu CG . 27978 1 60 . 1 . 1 7 7 GLU N N 15 120.192 0.018 . 1 . . . . . 229 Glu N . 27978 1 61 . 1 . 1 8 8 ASN H H 1 8.698 0.006 . 1 . . . . . 230 Asn H . 27978 1 62 . 1 . 1 8 8 ASN HA H 1 4.960 0.007 . 1 . . . . . 230 Asn HA . 27978 1 63 . 1 . 1 8 8 ASN HB2 H 1 2.822 0.009 . 2 . . . . . 230 Asn HB2 . 27978 1 64 . 1 . 1 8 8 ASN HB3 H 1 3.063 0.007 . 2 . . . . . 230 Asn HB3 . 27978 1 65 . 1 . 1 8 8 ASN HD21 H 1 7.708 0.005 . 1 . . . . . 230 Asn HD21 . 27978 1 66 . 1 . 1 8 8 ASN HD22 H 1 6.603 0.008 . 1 . . . . . 230 Asn HD22 . 27978 1 67 . 1 . 1 8 8 ASN C C 13 175.065 0.000 . 1 . . . . . 230 Asn C . 27978 1 68 . 1 . 1 8 8 ASN CA C 13 50.384 0.090 . 1 . . . . . 230 Asn CA . 27978 1 69 . 1 . 1 8 8 ASN CB C 13 38.980 0.063 . 1 . . . . . 230 Asn CB . 27978 1 70 . 1 . 1 8 8 ASN N N 15 120.879 0.043 . 1 . . . . . 230 Asn N . 27978 1 71 . 1 . 1 8 8 ASN ND2 N 15 110.121 0.060 . 1 . . . . . 230 Asn ND2 . 27978 1 72 . 1 . 1 9 9 PRO HA H 1 4.396 0.006 . 1 . . . . . 231 Pro HA . 27978 1 73 . 1 . 1 9 9 PRO HB2 H 1 1.358 0.010 . 2 . . . . . 231 Pro HB2 . 27978 1 74 . 1 . 1 9 9 PRO HB3 H 1 2.155 0.012 . 2 . . . . . 231 Pro HB3 . 27978 1 75 . 1 . 1 9 9 PRO HG2 H 1 1.646 0.009 . 2 . . . . . 231 Pro HG2 . 27978 1 76 . 1 . 1 9 9 PRO HG3 H 1 1.355 0.008 . 2 . . . . . 231 Pro HG3 . 27978 1 77 . 1 . 1 9 9 PRO HD2 H 1 3.839 0.007 . 2 . . . . . 231 Pro HD2 . 27978 1 78 . 1 . 1 9 9 PRO HD3 H 1 3.654 0.009 . 2 . . . . . 231 Pro HD3 . 27978 1 79 . 1 . 1 9 9 PRO C C 13 176.850 0.000 . 1 . . . . . 231 Pro C . 27978 1 80 . 1 . 1 9 9 PRO CA C 13 64.025 0.063 . 1 . . . . . 231 Pro CA . 27978 1 81 . 1 . 1 9 9 PRO CB C 13 32.075 0.079 . 1 . . . . . 231 Pro CB . 27978 1 82 . 1 . 1 9 9 PRO CG C 13 26.580 0.097 . 1 . . . . . 231 Pro CG . 27978 1 83 . 1 . 1 9 9 PRO CD C 13 50.936 0.043 . 1 . . . . . 231 Pro CD . 27978 1 84 . 1 . 1 10 10 LEU H H 1 7.953 0.006 . 1 . . . . . 232 Leu H . 27978 1 85 . 1 . 1 10 10 LEU HA H 1 4.350 0.009 . 1 . . . . . 232 Leu HA . 27978 1 86 . 1 . 1 10 10 LEU HB2 H 1 1.513 0.010 . 2 . . . . . 232 Leu HB2 . 27978 1 87 . 1 . 1 10 10 LEU HB3 H 1 1.662 0.008 . 2 . . . . . 232 Leu HB3 . 27978 1 88 . 1 . 1 10 10 LEU HG H 1 1.438 0.005 . 1 . . . . . 232 Leu HG . 27978 1 89 . 1 . 1 10 10 LEU HD11 H 1 0.781 0.006 . 2 . . . . . 232 Leu HD11 . 27978 1 90 . 1 . 1 10 10 LEU HD12 H 1 0.781 0.006 . 2 . . . . . 232 Leu HD12 . 27978 1 91 . 1 . 1 10 10 LEU HD13 H 1 0.781 0.006 . 2 . . . . . 232 Leu HD13 . 27978 1 92 . 1 . 1 10 10 LEU HD21 H 1 1.040 0.006 . 2 . . . . . 232 Leu HD21 . 27978 1 93 . 1 . 1 10 10 LEU HD22 H 1 1.040 0.006 . 2 . . . . . 232 Leu HD22 . 27978 1 94 . 1 . 1 10 10 LEU HD23 H 1 1.040 0.006 . 2 . . . . . 232 Leu HD23 . 27978 1 95 . 1 . 1 10 10 LEU C C 13 176.784 0.000 . 1 . . . . . 232 Leu C . 27978 1 96 . 1 . 1 10 10 LEU CA C 13 53.453 0.121 . 1 . . . . . 232 Leu CA . 27978 1 97 . 1 . 1 10 10 LEU CB C 13 41.493 0.105 . 1 . . . . . 232 Leu CB . 27978 1 98 . 1 . 1 10 10 LEU CG C 13 27.273 0.059 . 1 . . . . . 232 Leu CG . 27978 1 99 . 1 . 1 10 10 LEU CD1 C 13 22.620 0.043 . 2 . . . . . 232 Leu CD1 . 27978 1 100 . 1 . 1 10 10 LEU CD2 C 13 27.248 0.060 . 2 . . . . . 232 Leu CD2 . 27978 1 101 . 1 . 1 10 10 LEU N N 15 115.580 0.050 . 1 . . . . . 232 Leu N . 27978 1 102 . 1 . 1 11 11 GLU H H 1 7.418 0.008 . 1 . . . . . 233 Glu H . 27978 1 103 . 1 . 1 11 11 GLU HA H 1 3.695 0.008 . 1 . . . . . 233 Glu HA . 27978 1 104 . 1 . 1 11 11 GLU HB2 H 1 2.250 0.012 . 2 . . . . . 233 Glu HB2 . 27978 1 105 . 1 . 1 11 11 GLU HB3 H 1 1.998 0.008 . 2 . . . . . 233 Glu HB3 . 27978 1 106 . 1 . 1 11 11 GLU HG2 H 1 2.372 0.008 . 2 . . . . . 233 Glu HG2 . 27978 1 107 . 1 . 1 11 11 GLU HG3 H 1 2.277 0.035 . 2 . . . . . 233 Glu HG3 . 27978 1 108 . 1 . 1 11 11 GLU C C 13 178.027 0.000 . 1 . . . . . 233 Glu C . 27978 1 109 . 1 . 1 11 11 GLU CA C 13 59.703 0.073 . 1 . . . . . 233 Glu CA . 27978 1 110 . 1 . 1 11 11 GLU CB C 13 29.335 0.098 . 1 . . . . . 233 Glu CB . 27978 1 111 . 1 . 1 11 11 GLU CG C 13 35.318 0.122 . 1 . . . . . 233 Glu CG . 27978 1 112 . 1 . 1 11 11 GLU N N 15 121.487 0.050 . 1 . . . . . 233 Glu N . 27978 1 113 . 1 . 1 12 12 PHE H H 1 7.816 0.007 . 1 . . . . . 234 Phe H . 27978 1 114 . 1 . 1 12 12 PHE HA H 1 4.432 0.005 . 1 . . . . . 234 Phe HA . 27978 1 115 . 1 . 1 12 12 PHE HB2 H 1 3.199 0.010 . 2 . . . . . 234 Phe HB2 . 27978 1 116 . 1 . 1 12 12 PHE HB3 H 1 3.123 0.012 . 2 . . . . . 234 Phe HB3 . 27978 1 117 . 1 . 1 12 12 PHE HD1 H 1 7.224 0.006 . 3 . . . . . 234 Phe HD1 . 27978 1 118 . 1 . 1 12 12 PHE HD2 H 1 7.224 0.006 . 3 . . . . . 234 Phe HD2 . 27978 1 119 . 1 . 1 12 12 PHE HE1 H 1 7.330 0.006 . 3 . . . . . 234 Phe HE1 . 27978 1 120 . 1 . 1 12 12 PHE HE2 H 1 7.330 0.006 . 3 . . . . . 234 Phe HE2 . 27978 1 121 . 1 . 1 12 12 PHE HZ H 1 7.087 0.005 . 1 . . . . . 234 Phe HZ . 27978 1 122 . 1 . 1 12 12 PHE C C 13 176.357 0.000 . 1 . . . . . 234 Phe C . 27978 1 123 . 1 . 1 12 12 PHE CA C 13 58.684 0.062 . 1 . . . . . 234 Phe CA . 27978 1 124 . 1 . 1 12 12 PHE CB C 13 37.566 0.078 . 1 . . . . . 234 Phe CB . 27978 1 125 . 1 . 1 12 12 PHE CD1 C 13 132.110 0.135 . 3 . . . . . 234 Phe CD1 . 27978 1 126 . 1 . 1 12 12 PHE CD2 C 13 132.110 0.135 . 3 . . . . . 234 Phe CD2 . 27978 1 127 . 1 . 1 12 12 PHE CE1 C 13 131.553 0.067 . 3 . . . . . 234 Phe CE1 . 27978 1 128 . 1 . 1 12 12 PHE CE2 C 13 131.553 0.067 . 3 . . . . . 234 Phe CE2 . 27978 1 129 . 1 . 1 12 12 PHE CZ C 13 129.718 0.020 . 1 . . . . . 234 Phe CZ . 27978 1 130 . 1 . 1 12 12 PHE N N 15 114.495 0.052 . 1 . . . . . 234 Phe N . 27978 1 131 . 1 . 1 13 13 LEU H H 1 7.257 0.008 . 1 . . . . . 235 Leu H . 27978 1 132 . 1 . 1 13 13 LEU HA H 1 3.595 0.009 . 1 . . . . . 235 Leu HA . 27978 1 133 . 1 . 1 13 13 LEU HB2 H 1 0.950 0.009 . 2 . . . . . 235 Leu HB2 . 27978 1 134 . 1 . 1 13 13 LEU HB3 H 1 0.785 0.012 . 2 . . . . . 235 Leu HB3 . 27978 1 135 . 1 . 1 13 13 LEU HD11 H 1 0.681 0.008 . 2 . . . . . 235 Leu HD11 . 27978 1 136 . 1 . 1 13 13 LEU HD12 H 1 0.681 0.008 . 2 . . . . . 235 Leu HD12 . 27978 1 137 . 1 . 1 13 13 LEU HD13 H 1 0.681 0.008 . 2 . . . . . 235 Leu HD13 . 27978 1 138 . 1 . 1 13 13 LEU HD21 H 1 0.622 0.005 . 2 . . . . . 235 Leu HD21 . 27978 1 139 . 1 . 1 13 13 LEU HD22 H 1 0.622 0.005 . 2 . . . . . 235 Leu HD22 . 27978 1 140 . 1 . 1 13 13 LEU HD23 H 1 0.622 0.005 . 2 . . . . . 235 Leu HD23 . 27978 1 141 . 1 . 1 13 13 LEU C C 13 177.997 0.000 . 1 . . . . . 235 Leu C . 27978 1 142 . 1 . 1 13 13 LEU CA C 13 56.286 0.072 . 1 . . . . . 235 Leu CA . 27978 1 143 . 1 . 1 13 13 LEU CB C 13 41.501 0.097 . 1 . . . . . 235 Leu CB . 27978 1 144 . 1 . 1 13 13 LEU CD1 C 13 25.932 0.064 . 2 . . . . . 235 Leu CD1 . 27978 1 145 . 1 . 1 13 13 LEU CD2 C 13 24.053 0.089 . 2 . . . . . 235 Leu CD2 . 27978 1 146 . 1 . 1 13 13 LEU N N 15 121.660 0.083 . 1 . . . . . 235 Leu N . 27978 1 147 . 1 . 1 14 14 ARG H H 1 7.311 0.008 . 1 . . . . . 236 Arg H . 27978 1 148 . 1 . 1 14 14 ARG HA H 1 3.563 0.008 . 1 . . . . . 236 Arg HA . 27978 1 149 . 1 . 1 14 14 ARG HB2 H 1 1.722 0.005 . 1 . . . . . 236 Arg HB2 . 27978 1 150 . 1 . 1 14 14 ARG HG2 H 1 1.559 0.007 . 2 . . . . . 236 Arg HG2 . 27978 1 151 . 1 . 1 14 14 ARG HG3 H 1 1.489 0.008 . 2 . . . . . 236 Arg HG3 . 27978 1 152 . 1 . 1 14 14 ARG HD2 H 1 3.249 0.011 . 2 . . . . . 236 Arg HD2 . 27978 1 153 . 1 . 1 14 14 ARG HD3 H 1 3.147 0.007 . 2 . . . . . 236 Arg HD3 . 27978 1 154 . 1 . 1 14 14 ARG HE H 1 8.014 0.007 . 1 . . . . . 236 Arg HE . 27978 1 155 . 1 . 1 14 14 ARG C C 13 176.869 0.000 . 1 . . . . . 236 Arg C . 27978 1 156 . 1 . 1 14 14 ARG CA C 13 59.661 0.068 . 1 . . . . . 236 Arg CA . 27978 1 157 . 1 . 1 14 14 ARG CB C 13 30.180 0.109 . 1 . . . . . 236 Arg CB . 27978 1 158 . 1 . 1 14 14 ARG CG C 13 28.243 0.055 . 1 . . . . . 236 Arg CG . 27978 1 159 . 1 . 1 14 14 ARG CD C 13 43.158 0.080 . 1 . . . . . 236 Arg CD . 27978 1 160 . 1 . 1 14 14 ARG N N 15 114.519 0.073 . 1 . . . . . 236 Arg N . 27978 1 161 . 1 . 1 14 14 ARG NE N 15 84.912 0.101 . 1 . . . . . 236 Arg NE . 27978 1 162 . 1 . 1 15 15 ASP H H 1 7.547 0.007 . 1 . . . . . 237 Asp H . 27978 1 163 . 1 . 1 15 15 ASP HA H 1 4.792 0.025 . 1 . . . . . 237 Asp HA . 27978 1 164 . 1 . 1 15 15 ASP HB2 H 1 2.622 0.007 . 2 . . . . . 237 Asp HB2 . 27978 1 165 . 1 . 1 15 15 ASP HB3 H 1 2.886 0.009 . 2 . . . . . 237 Asp HB3 . 27978 1 166 . 1 . 1 15 15 ASP C C 13 176.293 0.058 . 1 . . . . . 237 Asp C . 27978 1 167 . 1 . 1 15 15 ASP CA C 13 53.847 0.108 . 1 . . . . . 237 Asp CA . 27978 1 168 . 1 . 1 15 15 ASP CB C 13 41.436 0.061 . 1 . . . . . 237 Asp CB . 27978 1 169 . 1 . 1 15 15 ASP N N 15 114.413 0.066 . 1 . . . . . 237 Asp N . 27978 1 170 . 1 . 1 16 16 GLN H H 1 7.990 0.005 . 1 . . . . . 238 Gln H . 27978 1 171 . 1 . 1 16 16 GLN HA H 1 4.764 0.009 . 1 . . . . . 238 Gln HA . 27978 1 172 . 1 . 1 16 16 GLN HB2 H 1 2.473 0.023 . 2 . . . . . 238 Gln HB2 . 27978 1 173 . 1 . 1 16 16 GLN HB3 H 1 2.300 0.009 . 2 . . . . . 238 Gln HB3 . 27978 1 174 . 1 . 1 16 16 GLN HG2 H 1 2.647 0.009 . 2 . . . . . 238 Gln HG2 . 27978 1 175 . 1 . 1 16 16 GLN HG3 H 1 2.594 0.007 . 2 . . . . . 238 Gln HG3 . 27978 1 176 . 1 . 1 16 16 GLN HE21 H 1 7.625 0.005 . 1 . . . . . 238 Gln HE21 . 27978 1 177 . 1 . 1 16 16 GLN HE22 H 1 6.945 0.005 . 1 . . . . . 238 Gln HE22 . 27978 1 178 . 1 . 1 16 16 GLN C C 13 175.961 0.000 . 1 . . . . . 238 Gln C . 27978 1 179 . 1 . 1 16 16 GLN CA C 13 53.768 0.061 . 1 . . . . . 238 Gln CA . 27978 1 180 . 1 . 1 16 16 GLN CB C 13 28.243 0.050 . 1 . . . . . 238 Gln CB . 27978 1 181 . 1 . 1 16 16 GLN CG C 13 33.915 0.056 . 1 . . . . . 238 Gln CG . 27978 1 182 . 1 . 1 16 16 GLN N N 15 121.207 0.052 . 1 . . . . . 238 Gln N . 27978 1 183 . 1 . 1 16 16 GLN NE2 N 15 112.153 0.041 . 1 . . . . . 238 Gln NE2 . 27978 1 184 . 1 . 1 17 17 PRO HA H 1 4.349 0.009 . 1 . . . . . 239 Pro HA . 27978 1 185 . 1 . 1 17 17 PRO HB2 H 1 2.033 0.007 . 2 . . . . . 239 Pro HB2 . 27978 1 186 . 1 . 1 17 17 PRO HB3 H 1 2.449 0.007 . 2 . . . . . 239 Pro HB3 . 27978 1 187 . 1 . 1 17 17 PRO HG2 H 1 2.146 0.004 . 2 . . . . . 239 Pro HG2 . 27978 1 188 . 1 . 1 17 17 PRO HG3 H 1 2.227 0.002 . 2 . . . . . 239 Pro HG3 . 27978 1 189 . 1 . 1 17 17 PRO HD2 H 1 4.154 0.006 . 2 . . . . . 239 Pro HD2 . 27978 1 190 . 1 . 1 17 17 PRO HD3 H 1 3.985 0.007 . 2 . . . . . 239 Pro HD3 . 27978 1 191 . 1 . 1 17 17 PRO C C 13 178.916 0.000 . 1 . . . . . 239 Pro C . 27978 1 192 . 1 . 1 17 17 PRO CA C 13 65.558 0.071 . 1 . . . . . 239 Pro CA . 27978 1 193 . 1 . 1 17 17 PRO CB C 13 32.083 0.054 . 1 . . . . . 239 Pro CB . 27978 1 194 . 1 . 1 17 17 PRO CG C 13 27.582 0.065 . 1 . . . . . 239 Pro CG . 27978 1 195 . 1 . 1 17 17 PRO CD C 13 51.161 0.093 . 1 . . . . . 239 Pro CD . 27978 1 196 . 1 . 1 18 18 GLN H H 1 9.103 0.009 . 1 . . . . . 240 Gln H . 27978 1 197 . 1 . 1 18 18 GLN HA H 1 4.252 0.009 . 1 . . . . . 240 Gln HA . 27978 1 198 . 1 . 1 18 18 GLN HB2 H 1 2.143 0.001 . 2 . . . . . 240 Gln HB2 . 27978 1 199 . 1 . 1 18 18 GLN HB3 H 1 2.118 0.007 . 2 . . . . . 240 Gln HB3 . 27978 1 200 . 1 . 1 18 18 GLN HG3 H 1 2.499 0.014 . 1 . . . . . 240 Gln HG3 . 27978 1 201 . 1 . 1 18 18 GLN HE21 H 1 7.702 0.003 . 1 . . . . . 240 Gln HE21 . 27978 1 202 . 1 . 1 18 18 GLN HE22 H 1 6.879 0.009 . 1 . . . . . 240 Gln HE22 . 27978 1 203 . 1 . 1 18 18 GLN C C 13 178.961 0.000 . 1 . . . . . 240 Gln C . 27978 1 204 . 1 . 1 18 18 GLN CA C 13 59.177 0.103 . 1 . . . . . 240 Gln CA . 27978 1 205 . 1 . 1 18 18 GLN CB C 13 27.800 0.055 . 1 . . . . . 240 Gln CB . 27978 1 206 . 1 . 1 18 18 GLN CG C 13 33.922 0.064 . 1 . . . . . 240 Gln CG . 27978 1 207 . 1 . 1 18 18 GLN N N 15 115.798 0.052 . 1 . . . . . 240 Gln N . 27978 1 208 . 1 . 1 18 18 GLN NE2 N 15 111.510 0.046 . 1 . . . . . 240 Gln NE2 . 27978 1 209 . 1 . 1 19 19 PHE H H 1 7.659 0.008 . 1 . . . . . 241 Phe H . 27978 1 210 . 1 . 1 19 19 PHE HA H 1 4.382 0.007 . 1 . . . . . 241 Phe HA . 27978 1 211 . 1 . 1 19 19 PHE HB2 H 1 3.106 0.008 . 2 . . . . . 241 Phe HB2 . 27978 1 212 . 1 . 1 19 19 PHE HB3 H 1 3.519 0.010 . 2 . . . . . 241 Phe HB3 . 27978 1 213 . 1 . 1 19 19 PHE HD1 H 1 7.226 0.007 . 3 . . . . . 241 Phe HD1 . 27978 1 214 . 1 . 1 19 19 PHE HD2 H 1 7.226 0.007 . 3 . . . . . 241 Phe HD2 . 27978 1 215 . 1 . 1 19 19 PHE HE1 H 1 7.092 0.002 . 3 . . . . . 241 Phe HE1 . 27978 1 216 . 1 . 1 19 19 PHE HE2 H 1 7.092 0.002 . 3 . . . . . 241 Phe HE2 . 27978 1 217 . 1 . 1 19 19 PHE HZ H 1 6.858 0.004 . 1 . . . . . 241 Phe HZ . 27978 1 218 . 1 . 1 19 19 PHE C C 13 176.490 0.000 . 1 . . . . . 241 Phe C . 27978 1 219 . 1 . 1 19 19 PHE CA C 13 61.052 0.088 . 1 . . . . . 241 Phe CA . 27978 1 220 . 1 . 1 19 19 PHE CB C 13 40.004 0.086 . 1 . . . . . 241 Phe CB . 27978 1 221 . 1 . 1 19 19 PHE CD1 C 13 132.295 0.037 . 3 . . . . . 241 Phe CD1 . 27978 1 222 . 1 . 1 19 19 PHE CD2 C 13 132.295 0.037 . 3 . . . . . 241 Phe CD2 . 27978 1 223 . 1 . 1 19 19 PHE CE1 C 13 130.550 0.094 . 3 . . . . . 241 Phe CE1 . 27978 1 224 . 1 . 1 19 19 PHE CE2 C 13 130.550 0.094 . 3 . . . . . 241 Phe CE2 . 27978 1 225 . 1 . 1 19 19 PHE CZ C 13 128.988 0.018 . 1 . . . . . 241 Phe CZ . 27978 1 226 . 1 . 1 19 19 PHE N N 15 119.743 0.045 . 1 . . . . . 241 Phe N . 27978 1 227 . 1 . 1 20 20 GLN H H 1 8.048 0.010 . 1 . . . . . 242 Gln H . 27978 1 228 . 1 . 1 20 20 GLN HA H 1 3.764 0.008 . 1 . . . . . 242 Gln HA . 27978 1 229 . 1 . 1 20 20 GLN HB3 H 1 2.158 0.006 . 1 . . . . . 242 Gln HB3 . 27978 1 230 . 1 . 1 20 20 GLN HG2 H 1 2.594 0.007 . 2 . . . . . 242 Gln HG2 . 27978 1 231 . 1 . 1 20 20 GLN HG3 H 1 2.529 0.007 . 2 . . . . . 242 Gln HG3 . 27978 1 232 . 1 . 1 20 20 GLN HE21 H 1 7.694 0.004 . 1 . . . . . 242 Gln HE21 . 27978 1 233 . 1 . 1 20 20 GLN HE22 H 1 7.081 0.006 . 1 . . . . . 242 Gln HE22 . 27978 1 234 . 1 . 1 20 20 GLN C C 13 179.133 0.081 . 1 . . . . . 242 Gln C . 27978 1 235 . 1 . 1 20 20 GLN CA C 13 58.895 0.074 . 1 . . . . . 242 Gln CA . 27978 1 236 . 1 . 1 20 20 GLN CB C 13 27.426 0.045 . 1 . . . . . 242 Gln CB . 27978 1 237 . 1 . 1 20 20 GLN CG C 13 33.351 0.074 . 1 . . . . . 242 Gln CG . 27978 1 238 . 1 . 1 20 20 GLN N N 15 118.313 0.061 . 1 . . . . . 242 Gln N . 27978 1 239 . 1 . 1 20 20 GLN NE2 N 15 111.772 0.064 . 1 . . . . . 242 Gln NE2 . 27978 1 240 . 1 . 1 21 21 ASN H H 1 8.222 0.007 . 1 . . . . . 243 Asn H . 27978 1 241 . 1 . 1 21 21 ASN HA H 1 4.466 0.006 . 1 . . . . . 243 Asn HA . 27978 1 242 . 1 . 1 21 21 ASN HB2 H 1 2.847 0.004 . 2 . . . . . 243 Asn HB2 . 27978 1 243 . 1 . 1 21 21 ASN HB3 H 1 2.809 0.005 . 2 . . . . . 243 Asn HB3 . 27978 1 244 . 1 . 1 21 21 ASN HD21 H 1 6.968 0.008 . 1 . . . . . 243 Asn HD21 . 27978 1 245 . 1 . 1 21 21 ASN HD22 H 1 7.730 0.004 . 1 . . . . . 243 Asn HD22 . 27978 1 246 . 1 . 1 21 21 ASN C C 13 176.783 0.054 . 1 . . . . . 243 Asn C . 27978 1 247 . 1 . 1 21 21 ASN CA C 13 56.409 0.101 . 1 . . . . . 243 Asn CA . 27978 1 248 . 1 . 1 21 21 ASN CB C 13 38.695 0.044 . 1 . . . . . 243 Asn CB . 27978 1 249 . 1 . 1 21 21 ASN N N 15 116.966 0.078 . 1 . . . . . 243 Asn N . 27978 1 250 . 1 . 1 21 21 ASN ND2 N 15 112.617 0.060 . 1 . . . . . 243 Asn ND2 . 27978 1 251 . 1 . 1 22 22 MET H H 1 7.681 0.009 . 1 . . . . . 244 Met H . 27978 1 252 . 1 . 1 22 22 MET HA H 1 3.895 0.006 . 1 . . . . . 244 Met HA . 27978 1 253 . 1 . 1 22 22 MET HB2 H 1 2.242 0.007 . 2 . . . . . 244 Met HB2 . 27978 1 254 . 1 . 1 22 22 MET HB3 H 1 1.927 0.004 . 2 . . . . . 244 Met HB3 . 27978 1 255 . 1 . 1 22 22 MET HG2 H 1 2.861 0.011 . 2 . . . . . 244 Met HG2 . 27978 1 256 . 1 . 1 22 22 MET HG3 H 1 2.447 0.007 . 2 . . . . . 244 Met HG3 . 27978 1 257 . 1 . 1 22 22 MET HE1 H 1 2.095 0.006 . 1 . . . . . 244 Met HE1 . 27978 1 258 . 1 . 1 22 22 MET HE2 H 1 2.095 0.006 . 1 . . . . . 244 Met HE2 . 27978 1 259 . 1 . 1 22 22 MET HE3 H 1 2.095 0.006 . 1 . . . . . 244 Met HE3 . 27978 1 260 . 1 . 1 22 22 MET C C 13 177.023 0.000 . 1 . . . . . 244 Met C . 27978 1 261 . 1 . 1 22 22 MET CA C 13 59.684 0.065 . 1 . . . . . 244 Met CA . 27978 1 262 . 1 . 1 22 22 MET CB C 13 33.232 0.104 . 1 . . . . . 244 Met CB . 27978 1 263 . 1 . 1 22 22 MET CG C 13 32.647 0.088 . 1 . . . . . 244 Met CG . 27978 1 264 . 1 . 1 22 22 MET CE C 13 17.347 0.047 . 1 . . . . . 244 Met CE . 27978 1 265 . 1 . 1 22 22 MET N N 15 119.022 0.052 . 1 . . . . . 244 Met N . 27978 1 266 . 1 . 1 23 23 ARG H H 1 7.991 0.008 . 1 . . . . . 245 Arg H . 27978 1 267 . 1 . 1 23 23 ARG HA H 1 3.610 0.007 . 1 . . . . . 245 Arg HA . 27978 1 268 . 1 . 1 23 23 ARG HB2 H 1 1.660 0.006 . 2 . . . . . 245 Arg HB2 . 27978 1 269 . 1 . 1 23 23 ARG HB3 H 1 1.369 0.008 . 2 . . . . . 245 Arg HB3 . 27978 1 270 . 1 . 1 23 23 ARG HG2 H 1 1.374 0.003 . 2 . . . . . 245 Arg HG2 . 27978 1 271 . 1 . 1 23 23 ARG HG3 H 1 1.441 0.014 . 2 . . . . . 245 Arg HG3 . 27978 1 272 . 1 . 1 23 23 ARG HD2 H 1 3.159 0.008 . 2 . . . . . 245 Arg HD2 . 27978 1 273 . 1 . 1 23 23 ARG HD3 H 1 2.927 0.007 . 2 . . . . . 245 Arg HD3 . 27978 1 274 . 1 . 1 23 23 ARG HE H 1 7.175 0.010 . 1 . . . . . 245 Arg HE . 27978 1 275 . 1 . 1 23 23 ARG C C 13 177.626 0.000 . 1 . . . . . 245 Arg C . 27978 1 276 . 1 . 1 23 23 ARG CA C 13 59.642 0.084 . 1 . . . . . 245 Arg CA . 27978 1 277 . 1 . 1 23 23 ARG CB C 13 29.739 0.032 . 1 . . . . . 245 Arg CB . 27978 1 278 . 1 . 1 23 23 ARG CG C 13 26.871 0.049 . 1 . . . . . 245 Arg CG . 27978 1 279 . 1 . 1 23 23 ARG CD C 13 43.855 0.081 . 1 . . . . . 245 Arg CD . 27978 1 280 . 1 . 1 23 23 ARG N N 15 117.519 0.041 . 1 . . . . . 245 Arg N . 27978 1 281 . 1 . 1 23 23 ARG NE N 15 83.718 0.097 . 1 . . . . . 245 Arg NE . 27978 1 282 . 1 . 1 24 24 GLN H H 1 7.518 0.006 . 1 . . . . . 246 Gln H . 27978 1 283 . 1 . 1 24 24 GLN HA H 1 4.014 0.006 . 1 . . . . . 246 Gln HA . 27978 1 284 . 1 . 1 24 24 GLN HB3 H 1 2.180 0.008 . 1 . . . . . 246 Gln HB3 . 27978 1 285 . 1 . 1 24 24 GLN HG2 H 1 2.389 0.011 . 2 . . . . . 246 Gln HG2 . 27978 1 286 . 1 . 1 24 24 GLN HG3 H 1 2.486 0.007 . 2 . . . . . 246 Gln HG3 . 27978 1 287 . 1 . 1 24 24 GLN HE21 H 1 7.470 0.001 . 1 . . . . . 246 Gln HE21 . 27978 1 288 . 1 . 1 24 24 GLN HE22 H 1 6.830 0.002 . 1 . . . . . 246 Gln HE22 . 27978 1 289 . 1 . 1 24 24 GLN C C 13 178.757 0.000 . 1 . . . . . 246 Gln C . 27978 1 290 . 1 . 1 24 24 GLN CA C 13 58.982 0.096 . 1 . . . . . 246 Gln CA . 27978 1 291 . 1 . 1 24 24 GLN CB C 13 28.539 0.078 . 1 . . . . . 246 Gln CB . 27978 1 292 . 1 . 1 24 24 GLN CG C 13 33.984 0.067 . 1 . . . . . 246 Gln CG . 27978 1 293 . 1 . 1 24 24 GLN N N 15 117.127 0.062 . 1 . . . . . 246 Gln N . 27978 1 294 . 1 . 1 24 24 GLN NE2 N 15 111.571 0.023 . 1 . . . . . 246 Gln NE2 . 27978 1 295 . 1 . 1 25 25 VAL H H 1 7.888 0.008 . 1 . . . . . 247 Val H . 27978 1 296 . 1 . 1 25 25 VAL HA H 1 3.737 0.005 . 1 . . . . . 247 Val HA . 27978 1 297 . 1 . 1 25 25 VAL HB H 1 2.081 0.006 . 1 . . . . . 247 Val HB . 27978 1 298 . 1 . 1 25 25 VAL HG11 H 1 1.043 0.006 . 2 . . . . . 247 Val HG11 . 27978 1 299 . 1 . 1 25 25 VAL HG12 H 1 1.043 0.006 . 2 . . . . . 247 Val HG12 . 27978 1 300 . 1 . 1 25 25 VAL HG13 H 1 1.043 0.006 . 2 . . . . . 247 Val HG13 . 27978 1 301 . 1 . 1 25 25 VAL HG21 H 1 0.952 0.010 . 2 . . . . . 247 Val HG21 . 27978 1 302 . 1 . 1 25 25 VAL HG22 H 1 0.952 0.010 . 2 . . . . . 247 Val HG22 . 27978 1 303 . 1 . 1 25 25 VAL HG23 H 1 0.952 0.010 . 2 . . . . . 247 Val HG23 . 27978 1 304 . 1 . 1 25 25 VAL C C 13 178.899 0.088 . 1 . . . . . 247 Val C . 27978 1 305 . 1 . 1 25 25 VAL CA C 13 66.160 0.053 . 1 . . . . . 247 Val CA . 27978 1 306 . 1 . 1 25 25 VAL CB C 13 31.915 0.051 . 1 . . . . . 247 Val CB . 27978 1 307 . 1 . 1 25 25 VAL CG1 C 13 22.425 0.060 . 2 . . . . . 247 Val CG1 . 27978 1 308 . 1 . 1 25 25 VAL CG2 C 13 22.422 0.072 . 2 . . . . . 247 Val CG2 . 27978 1 309 . 1 . 1 25 25 VAL N N 15 118.858 0.050 . 1 . . . . . 247 Val N . 27978 1 310 . 1 . 1 26 26 ILE H H 1 8.148 0.007 . 1 . . . . . 248 Ile H . 27978 1 311 . 1 . 1 26 26 ILE HA H 1 3.825 0.006 . 1 . . . . . 248 Ile HA . 27978 1 312 . 1 . 1 26 26 ILE HB H 1 1.969 0.007 . 1 . . . . . 248 Ile HB . 27978 1 313 . 1 . 1 26 26 ILE HG12 H 1 1.443 0.005 . 2 . . . . . 248 Ile HG12 . 27978 1 314 . 1 . 1 26 26 ILE HG13 H 1 0.797 0.004 . 2 . . . . . 248 Ile HG13 . 27978 1 315 . 1 . 1 26 26 ILE HG21 H 1 0.927 0.015 . 1 . . . . . 248 Ile HG21 . 27978 1 316 . 1 . 1 26 26 ILE HG22 H 1 0.927 0.015 . 1 . . . . . 248 Ile HG22 . 27978 1 317 . 1 . 1 26 26 ILE HG23 H 1 0.927 0.015 . 1 . . . . . 248 Ile HG23 . 27978 1 318 . 1 . 1 26 26 ILE HD11 H 1 0.792 0.008 . 1 . . . . . 248 Ile HD11 . 27978 1 319 . 1 . 1 26 26 ILE HD12 H 1 0.792 0.008 . 1 . . . . . 248 Ile HD12 . 27978 1 320 . 1 . 1 26 26 ILE HD13 H 1 0.792 0.008 . 1 . . . . . 248 Ile HD13 . 27978 1 321 . 1 . 1 26 26 ILE C C 13 177.287 0.088 . 1 . . . . . 248 Ile C . 27978 1 322 . 1 . 1 26 26 ILE CA C 13 62.366 0.082 . 1 . . . . . 248 Ile CA . 27978 1 323 . 1 . 1 26 26 ILE CB C 13 36.904 0.083 . 1 . . . . . 248 Ile CB . 27978 1 324 . 1 . 1 26 26 ILE CG1 C 13 28.604 0.045 . 1 . . . . . 248 Ile CG1 . 27978 1 325 . 1 . 1 26 26 ILE CG2 C 13 18.575 0.072 . 1 . . . . . 248 Ile CG2 . 27978 1 326 . 1 . 1 26 26 ILE CD1 C 13 13.221 0.042 . 1 . . . . . 248 Ile CD1 . 27978 1 327 . 1 . 1 26 26 ILE N N 15 118.510 0.064 . 1 . . . . . 248 Ile N . 27978 1 328 . 1 . 1 27 27 GLN H H 1 7.677 0.008 . 1 . . . . . 249 Gln H . 27978 1 329 . 1 . 1 27 27 GLN HA H 1 4.017 0.007 . 1 . . . . . 249 Gln HA . 27978 1 330 . 1 . 1 27 27 GLN HB3 H 1 2.112 0.008 . 1 . . . . . 249 Gln HB3 . 27978 1 331 . 1 . 1 27 27 GLN HG2 H 1 2.622 0.005 . 2 . . . . . 249 Gln HG2 . 27978 1 332 . 1 . 1 27 27 GLN HG3 H 1 2.438 0.005 . 2 . . . . . 249 Gln HG3 . 27978 1 333 . 1 . 1 27 27 GLN HE21 H 1 7.524 0.004 . 1 . . . . . 249 Gln HE21 . 27978 1 334 . 1 . 1 27 27 GLN HE22 H 1 6.684 0.005 . 1 . . . . . 249 Gln HE22 . 27978 1 335 . 1 . 1 27 27 GLN C C 13 177.938 0.071 . 1 . . . . . 249 Gln C . 27978 1 336 . 1 . 1 27 27 GLN CA C 13 58.523 0.078 . 1 . . . . . 249 Gln CA . 27978 1 337 . 1 . 1 27 27 GLN CB C 13 28.111 0.135 . 1 . . . . . 249 Gln CB . 27978 1 338 . 1 . 1 27 27 GLN CG C 13 34.277 0.057 . 1 . . . . . 249 Gln CG . 27978 1 339 . 1 . 1 27 27 GLN N N 15 117.627 0.044 . 1 . . . . . 249 Gln N . 27978 1 340 . 1 . 1 27 27 GLN NE2 N 15 111.103 0.063 . 1 . . . . . 249 Gln NE2 . 27978 1 341 . 1 . 1 28 28 GLN H H 1 7.360 0.008 . 1 . . . . . 250 Gln H . 27978 1 342 . 1 . 1 28 28 GLN HA H 1 4.310 0.005 . 1 . . . . . 250 Gln HA . 27978 1 343 . 1 . 1 28 28 GLN HB2 H 1 2.182 0.005 . 2 . . . . . 250 Gln HB2 . 27978 1 344 . 1 . 1 28 28 GLN HB3 H 1 2.132 0.010 . 2 . . . . . 250 Gln HB3 . 27978 1 345 . 1 . 1 28 28 GLN HG2 H 1 2.411 0.009 . 2 . . . . . 250 Gln HG2 . 27978 1 346 . 1 . 1 28 28 GLN HG3 H 1 2.516 0.011 . 2 . . . . . 250 Gln HG3 . 27978 1 347 . 1 . 1 28 28 GLN HE21 H 1 7.681 0.004 . 1 . . . . . 250 Gln HE21 . 27978 1 348 . 1 . 1 28 28 GLN HE22 H 1 6.757 0.007 . 1 . . . . . 250 Gln HE22 . 27978 1 349 . 1 . 1 28 28 GLN C C 13 176.659 0.073 . 1 . . . . . 250 Gln C . 27978 1 350 . 1 . 1 28 28 GLN CA C 13 57.097 0.056 . 1 . . . . . 250 Gln CA . 27978 1 351 . 1 . 1 28 28 GLN CB C 13 29.728 0.065 . 1 . . . . . 250 Gln CB . 27978 1 352 . 1 . 1 28 28 GLN CG C 13 34.091 0.068 . 1 . . . . . 250 Gln CG . 27978 1 353 . 1 . 1 28 28 GLN N N 15 115.386 0.042 . 1 . . . . . 250 Gln N . 27978 1 354 . 1 . 1 28 28 GLN NE2 N 15 111.454 0.064 . 1 . . . . . 250 Gln NE2 . 27978 1 355 . 1 . 1 29 29 ASN H H 1 8.186 0.009 . 1 . . . . . 251 Asn H . 27978 1 356 . 1 . 1 29 29 ASN HA H 1 5.013 0.008 . 1 . . . . . 251 Asn HA . 27978 1 357 . 1 . 1 29 29 ASN HB2 H 1 2.952 0.009 . 2 . . . . . 251 Asn HB2 . 27978 1 358 . 1 . 1 29 29 ASN HB3 H 1 2.754 0.008 . 2 . . . . . 251 Asn HB3 . 27978 1 359 . 1 . 1 29 29 ASN HD21 H 1 7.639 0.005 . 1 . . . . . 251 Asn HD21 . 27978 1 360 . 1 . 1 29 29 ASN HD22 H 1 7.022 0.008 . 1 . . . . . 251 Asn HD22 . 27978 1 361 . 1 . 1 29 29 ASN C C 13 172.246 0.000 . 1 . . . . . 251 Asn C . 27978 1 362 . 1 . 1 29 29 ASN CA C 13 50.998 0.077 . 1 . . . . . 251 Asn CA . 27978 1 363 . 1 . 1 29 29 ASN CB C 13 38.640 0.074 . 1 . . . . . 251 Asn CB . 27978 1 364 . 1 . 1 29 29 ASN N N 15 114.538 0.051 . 1 . . . . . 251 Asn N . 27978 1 365 . 1 . 1 29 29 ASN ND2 N 15 110.865 0.062 . 1 . . . . . 251 Asn ND2 . 27978 1 366 . 1 . 1 30 30 PRO HA H 1 4.420 0.010 . 1 . . . . . 252 Pro HA . 27978 1 367 . 1 . 1 30 30 PRO HB2 H 1 2.026 0.011 . 2 . . . . . 252 Pro HB2 . 27978 1 368 . 1 . 1 30 30 PRO HB3 H 1 2.463 0.008 . 2 . . . . . 252 Pro HB3 . 27978 1 369 . 1 . 1 30 30 PRO HG2 H 1 2.070 0.011 . 2 . . . . . 252 Pro HG2 . 27978 1 370 . 1 . 1 30 30 PRO HG3 H 1 2.165 0.006 . 2 . . . . . 252 Pro HG3 . 27978 1 371 . 1 . 1 30 30 PRO HD2 H 1 3.868 0.006 . 2 . . . . . 252 Pro HD2 . 27978 1 372 . 1 . 1 30 30 PRO HD3 H 1 3.554 0.008 . 2 . . . . . 252 Pro HD3 . 27978 1 373 . 1 . 1 30 30 PRO C C 13 178.585 0.112 . 1 . . . . . 252 Pro C . 27978 1 374 . 1 . 1 30 30 PRO CA C 13 64.877 0.085 . 1 . . . . . 252 Pro CA . 27978 1 375 . 1 . 1 30 30 PRO CB C 13 31.847 0.095 . 1 . . . . . 252 Pro CB . 27978 1 376 . 1 . 1 30 30 PRO CG C 13 27.075 0.063 . 1 . . . . . 252 Pro CG . 27978 1 377 . 1 . 1 30 30 PRO CD C 13 50.380 0.074 . 1 . . . . . 252 Pro CD . 27978 1 378 . 1 . 1 31 31 ALA H H 1 7.893 0.008 . 1 . . . . . 253 Ala H . 27978 1 379 . 1 . 1 31 31 ALA HA H 1 4.263 0.005 . 1 . . . . . 253 Ala HA . 27978 1 380 . 1 . 1 31 31 ALA HB1 H 1 1.485 0.013 . 1 . . . . . 253 Ala HB1 . 27978 1 381 . 1 . 1 31 31 ALA HB2 H 1 1.485 0.013 . 1 . . . . . 253 Ala HB2 . 27978 1 382 . 1 . 1 31 31 ALA HB3 H 1 1.485 0.013 . 1 . . . . . 253 Ala HB3 . 27978 1 383 . 1 . 1 31 31 ALA C C 13 178.763 0.060 . 1 . . . . . 253 Ala C . 27978 1 384 . 1 . 1 31 31 ALA CA C 13 53.512 0.083 . 1 . . . . . 253 Ala CA . 27978 1 385 . 1 . 1 31 31 ALA CB C 13 18.329 0.082 . 1 . . . . . 253 Ala CB . 27978 1 386 . 1 . 1 31 31 ALA N N 15 119.352 0.051 . 1 . . . . . 253 Ala N . 27978 1 387 . 1 . 1 32 32 LEU H H 1 7.675 0.006 . 1 . . . . . 254 Leu H . 27978 1 388 . 1 . 1 32 32 LEU HA H 1 4.354 0.006 . 1 . . . . . 254 Leu HA . 27978 1 389 . 1 . 1 32 32 LEU HB2 H 1 1.738 0.007 . 2 . . . . . 254 Leu HB2 . 27978 1 390 . 1 . 1 32 32 LEU HB3 H 1 1.663 0.012 . 2 . . . . . 254 Leu HB3 . 27978 1 391 . 1 . 1 32 32 LEU HG H 1 1.657 0.011 . 1 . . . . . 254 Leu HG . 27978 1 392 . 1 . 1 32 32 LEU HD11 H 1 0.945 0.009 . 2 . . . . . 254 Leu HD11 . 27978 1 393 . 1 . 1 32 32 LEU HD12 H 1 0.945 0.009 . 2 . . . . . 254 Leu HD12 . 27978 1 394 . 1 . 1 32 32 LEU HD13 H 1 0.945 0.009 . 2 . . . . . 254 Leu HD13 . 27978 1 395 . 1 . 1 32 32 LEU HD21 H 1 0.823 0.006 . 2 . . . . . 254 Leu HD21 . 27978 1 396 . 1 . 1 32 32 LEU HD22 H 1 0.823 0.006 . 2 . . . . . 254 Leu HD22 . 27978 1 397 . 1 . 1 32 32 LEU HD23 H 1 0.823 0.006 . 2 . . . . . 254 Leu HD23 . 27978 1 398 . 1 . 1 32 32 LEU C C 13 177.202 0.077 . 1 . . . . . 254 Leu C . 27978 1 399 . 1 . 1 32 32 LEU CA C 13 55.155 0.074 . 1 . . . . . 254 Leu CA . 27978 1 400 . 1 . 1 32 32 LEU CB C 13 42.045 0.052 . 1 . . . . . 254 Leu CB . 27978 1 401 . 1 . 1 32 32 LEU CG C 13 27.031 0.051 . 1 . . . . . 254 Leu CG . 27978 1 402 . 1 . 1 32 32 LEU CD1 C 13 25.349 0.157 . 2 . . . . . 254 Leu CD1 . 27978 1 403 . 1 . 1 32 32 LEU CD2 C 13 22.305 0.050 . 2 . . . . . 254 Leu CD2 . 27978 1 404 . 1 . 1 32 32 LEU N N 15 116.350 0.037 . 1 . . . . . 254 Leu N . 27978 1 405 . 1 . 1 33 33 LEU H H 1 7.415 0.014 . 1 . . . . . 255 Leu H . 27978 1 406 . 1 . 1 33 33 LEU HA H 1 4.189 0.010 . 1 . . . . . 255 Leu HA . 27978 1 407 . 1 . 1 33 33 LEU HB2 H 1 2.106 0.023 . 2 . . . . . 255 Leu HB2 . 27978 1 408 . 1 . 1 33 33 LEU HB3 H 1 1.611 0.007 . 2 . . . . . 255 Leu HB3 . 27978 1 409 . 1 . 1 33 33 LEU HG H 1 1.703 0.002 . 1 . . . . . 255 Leu HG . 27978 1 410 . 1 . 1 33 33 LEU HD11 H 1 1.044 0.004 . 2 . . . . . 255 Leu HD11 . 27978 1 411 . 1 . 1 33 33 LEU HD12 H 1 1.044 0.004 . 2 . . . . . 255 Leu HD12 . 27978 1 412 . 1 . 1 33 33 LEU HD13 H 1 1.044 0.004 . 2 . . . . . 255 Leu HD13 . 27978 1 413 . 1 . 1 33 33 LEU HD21 H 1 0.996 0.005 . 2 . . . . . 255 Leu HD21 . 27978 1 414 . 1 . 1 33 33 LEU HD22 H 1 0.996 0.005 . 2 . . . . . 255 Leu HD22 . 27978 1 415 . 1 . 1 33 33 LEU HD23 H 1 0.996 0.005 . 2 . . . . . 255 Leu HD23 . 27978 1 416 . 1 . 1 33 33 LEU C C 13 174.095 0.000 . 1 . . . . . 255 Leu C . 27978 1 417 . 1 . 1 33 33 LEU CA C 13 60.607 0.100 . 1 . . . . . 255 Leu CA . 27978 1 418 . 1 . 1 33 33 LEU CB C 13 39.189 0.065 . 1 . . . . . 255 Leu CB . 27978 1 419 . 1 . 1 33 33 LEU CG C 13 27.459 0.077 . 1 . . . . . 255 Leu CG . 27978 1 420 . 1 . 1 33 33 LEU CD2 C 13 25.898 0.089 . 1 . . . . . 255 Leu CD2 . 27978 1 421 . 1 . 1 33 33 LEU N N 15 119.309 0.066 . 1 . . . . . 255 Leu N . 27978 1 422 . 1 . 1 34 34 PRO HA H 1 4.228 0.011 . 1 . . . . . 256 Pro HA . 27978 1 423 . 1 . 1 34 34 PRO HB2 H 1 2.333 0.010 . 2 . . . . . 256 Pro HB2 . 27978 1 424 . 1 . 1 34 34 PRO HB3 H 1 1.938 0.006 . 2 . . . . . 256 Pro HB3 . 27978 1 425 . 1 . 1 34 34 PRO HG2 H 1 2.152 0.011 . 2 . . . . . 256 Pro HG2 . 27978 1 426 . 1 . 1 34 34 PRO HG3 H 1 1.989 0.008 . 2 . . . . . 256 Pro HG3 . 27978 1 427 . 1 . 1 34 34 PRO HD2 H 1 3.695 0.007 . 2 . . . . . 256 Pro HD2 . 27978 1 428 . 1 . 1 34 34 PRO HD3 H 1 3.794 0.009 . 2 . . . . . 256 Pro HD3 . 27978 1 429 . 1 . 1 34 34 PRO C C 13 179.578 0.022 . 1 . . . . . 256 Pro C . 27978 1 430 . 1 . 1 34 34 PRO CA C 13 66.746 0.074 . 1 . . . . . 256 Pro CA . 27978 1 431 . 1 . 1 34 34 PRO CB C 13 30.551 0.095 . 1 . . . . . 256 Pro CB . 27978 1 432 . 1 . 1 34 34 PRO CG C 13 28.351 0.130 . 1 . . . . . 256 Pro CG . 27978 1 433 . 1 . 1 34 34 PRO CD C 13 49.266 0.062 . 1 . . . . . 256 Pro CD . 27978 1 434 . 1 . 1 35 35 ALA H H 1 7.571 0.008 . 1 . . . . . 257 Ala H . 27978 1 435 . 1 . 1 35 35 ALA HA H 1 4.208 0.007 . 1 . . . . . 257 Ala HA . 27978 1 436 . 1 . 1 35 35 ALA HB1 H 1 1.505 0.005 . 1 . . . . . 257 Ala HB1 . 27978 1 437 . 1 . 1 35 35 ALA HB2 H 1 1.505 0.005 . 1 . . . . . 257 Ala HB2 . 27978 1 438 . 1 . 1 35 35 ALA HB3 H 1 1.505 0.005 . 1 . . . . . 257 Ala HB3 . 27978 1 439 . 1 . 1 35 35 ALA C C 13 180.899 0.027 . 1 . . . . . 257 Ala C . 27978 1 440 . 1 . 1 35 35 ALA CA C 13 55.015 0.092 . 1 . . . . . 257 Ala CA . 27978 1 441 . 1 . 1 35 35 ALA CB C 13 18.175 0.063 . 1 . . . . . 257 Ala CB . 27978 1 442 . 1 . 1 35 35 ALA N N 15 120.230 0.049 . 1 . . . . . 257 Ala N . 27978 1 443 . 1 . 1 36 36 LEU H H 1 8.218 0.007 . 1 . . . . . 258 Leu H . 27978 1 444 . 1 . 1 36 36 LEU HA H 1 4.191 0.007 . 1 . . . . . 258 Leu HA . 27978 1 445 . 1 . 1 36 36 LEU HB2 H 1 1.955 0.005 . 2 . . . . . 258 Leu HB2 . 27978 1 446 . 1 . 1 36 36 LEU HB3 H 1 1.668 0.010 . 2 . . . . . 258 Leu HB3 . 27978 1 447 . 1 . 1 36 36 LEU HG H 1 1.841 0.006 . 1 . . . . . 258 Leu HG . 27978 1 448 . 1 . 1 36 36 LEU HD11 H 1 0.798 0.002 . 2 . . . . . 258 Leu HD11 . 27978 1 449 . 1 . 1 36 36 LEU HD12 H 1 0.798 0.002 . 2 . . . . . 258 Leu HD12 . 27978 1 450 . 1 . 1 36 36 LEU HD13 H 1 0.798 0.002 . 2 . . . . . 258 Leu HD13 . 27978 1 451 . 1 . 1 36 36 LEU HD21 H 1 1.043 0.006 . 2 . . . . . 258 Leu HD21 . 27978 1 452 . 1 . 1 36 36 LEU HD22 H 1 1.043 0.006 . 2 . . . . . 258 Leu HD22 . 27978 1 453 . 1 . 1 36 36 LEU HD23 H 1 1.043 0.006 . 2 . . . . . 258 Leu HD23 . 27978 1 454 . 1 . 1 36 36 LEU C C 13 180.477 0.000 . 1 . . . . . 258 Leu C . 27978 1 455 . 1 . 1 36 36 LEU CA C 13 57.950 0.107 . 1 . . . . . 258 Leu CA . 27978 1 456 . 1 . 1 36 36 LEU CB C 13 41.723 0.099 . 1 . . . . . 258 Leu CB . 27978 1 457 . 1 . 1 36 36 LEU CG C 13 27.142 0.041 . 1 . . . . . 258 Leu CG . 27978 1 458 . 1 . 1 36 36 LEU CD2 C 13 24.013 0.051 . 1 . . . . . 258 Leu CD2 . 27978 1 459 . 1 . 1 36 36 LEU N N 15 120.543 0.078 . 1 . . . . . 258 Leu N . 27978 1 460 . 1 . 1 37 37 LEU H H 1 8.508 0.007 . 1 . . . . . 259 Leu H . 27978 1 461 . 1 . 1 37 37 LEU HA H 1 4.051 0.008 . 1 . . . . . 259 Leu HA . 27978 1 462 . 1 . 1 37 37 LEU HB2 H 1 1.901 0.007 . 2 . . . . . 259 Leu HB2 . 27978 1 463 . 1 . 1 37 37 LEU HB3 H 1 1.472 0.008 . 2 . . . . . 259 Leu HB3 . 27978 1 464 . 1 . 1 37 37 LEU HG H 1 1.814 0.004 . 1 . . . . . 259 Leu HG . 27978 1 465 . 1 . 1 37 37 LEU HD11 H 1 0.750 0.004 . 2 . . . . . 259 Leu HD11 . 27978 1 466 . 1 . 1 37 37 LEU HD12 H 1 0.750 0.004 . 2 . . . . . 259 Leu HD12 . 27978 1 467 . 1 . 1 37 37 LEU HD13 H 1 0.750 0.004 . 2 . . . . . 259 Leu HD13 . 27978 1 468 . 1 . 1 37 37 LEU HD21 H 1 0.863 0.009 . 2 . . . . . 259 Leu HD21 . 27978 1 469 . 1 . 1 37 37 LEU HD22 H 1 0.863 0.009 . 2 . . . . . 259 Leu HD22 . 27978 1 470 . 1 . 1 37 37 LEU HD23 H 1 0.863 0.009 . 2 . . . . . 259 Leu HD23 . 27978 1 471 . 1 . 1 37 37 LEU C C 13 178.927 0.000 . 1 . . . . . 259 Leu C . 27978 1 472 . 1 . 1 37 37 LEU CA C 13 57.940 0.061 . 1 . . . . . 259 Leu CA . 27978 1 473 . 1 . 1 37 37 LEU CB C 13 41.014 0.089 . 1 . . . . . 259 Leu CB . 27978 1 474 . 1 . 1 37 37 LEU CG C 13 26.847 0.088 . 1 . . . . . 259 Leu CG . 27978 1 475 . 1 . 1 37 37 LEU CD1 C 13 22.673 0.086 . 2 . . . . . 259 Leu CD1 . 27978 1 476 . 1 . 1 37 37 LEU CD2 C 13 25.352 0.080 . 2 . . . . . 259 Leu CD2 . 27978 1 477 . 1 . 1 37 37 LEU N N 15 120.264 0.061 . 1 . . . . . 259 Leu N . 27978 1 478 . 1 . 1 38 38 GLN H H 1 8.004 0.013 . 1 . . . . . 260 Gln H . 27978 1 479 . 1 . 1 38 38 GLN HA H 1 4.025 0.010 . 1 . . . . . 260 Gln HA . 27978 1 480 . 1 . 1 38 38 GLN HB3 H 1 2.206 0.005 . 1 . . . . . 260 Gln HB3 . 27978 1 481 . 1 . 1 38 38 GLN HG2 H 1 2.472 0.008 . 2 . . . . . 260 Gln HG2 . 27978 1 482 . 1 . 1 38 38 GLN HG3 H 1 2.404 0.009 . 2 . . . . . 260 Gln HG3 . 27978 1 483 . 1 . 1 38 38 GLN HE21 H 1 7.369 0.002 . 1 . . . . . 260 Gln HE21 . 27978 1 484 . 1 . 1 38 38 GLN HE22 H 1 6.837 0.003 . 1 . . . . . 260 Gln HE22 . 27978 1 485 . 1 . 1 38 38 GLN C C 13 179.278 0.000 . 1 . . . . . 260 Gln C . 27978 1 486 . 1 . 1 38 38 GLN CA C 13 59.043 0.052 . 1 . . . . . 260 Gln CA . 27978 1 487 . 1 . 1 38 38 GLN CB C 13 28.194 0.042 . 1 . . . . . 260 Gln CB . 27978 1 488 . 1 . 1 38 38 GLN CG C 13 33.747 0.056 . 1 . . . . . 260 Gln CG . 27978 1 489 . 1 . 1 38 38 GLN N N 15 119.238 0.051 . 1 . . . . . 260 Gln N . 27978 1 490 . 1 . 1 39 39 GLN H H 1 7.923 0.007 . 1 . . . . . 261 Gln H . 27978 1 491 . 1 . 1 39 39 GLN HA H 1 4.076 0.007 . 1 . . . . . 261 Gln HA . 27978 1 492 . 1 . 1 39 39 GLN HB3 H 1 2.209 0.004 . 1 . . . . . 261 Gln HB3 . 27978 1 493 . 1 . 1 39 39 GLN HG2 H 1 2.508 0.002 . 2 . . . . . 261 Gln HG2 . 27978 1 494 . 1 . 1 39 39 GLN HG3 H 1 2.457 0.009 . 2 . . . . . 261 Gln HG3 . 27978 1 495 . 1 . 1 39 39 GLN HE21 H 1 7.532 0.002 . 1 . . . . . 261 Gln HE21 . 27978 1 496 . 1 . 1 39 39 GLN HE22 H 1 6.859 0.009 . 1 . . . . . 261 Gln HE22 . 27978 1 497 . 1 . 1 39 39 GLN C C 13 178.714 0.000 . 1 . . . . . 261 Gln C . 27978 1 498 . 1 . 1 39 39 GLN CA C 13 58.954 0.081 . 1 . . . . . 261 Gln CA . 27978 1 499 . 1 . 1 39 39 GLN CB C 13 28.266 0.036 . 1 . . . . . 261 Gln CB . 27978 1 500 . 1 . 1 39 39 GLN CG C 13 33.892 0.040 . 1 . . . . . 261 Gln CG . 27978 1 501 . 1 . 1 39 39 GLN N N 15 119.780 0.052 . 1 . . . . . 261 Gln N . 27978 1 502 . 1 . 1 39 39 GLN NE2 N 15 111.635 0.006 . 1 . . . . . 261 Gln NE2 . 27978 1 503 . 1 . 1 40 40 LEU H H 1 8.239 0.007 . 1 . . . . . 262 Leu H . 27978 1 504 . 1 . 1 40 40 LEU HA H 1 4.184 0.007 . 1 . . . . . 262 Leu HA . 27978 1 505 . 1 . 1 40 40 LEU HB3 H 1 1.806 0.008 . 1 . . . . . 262 Leu HB3 . 27978 1 506 . 1 . 1 40 40 LEU HG H 1 1.761 0.003 . 1 . . . . . 262 Leu HG . 27978 1 507 . 1 . 1 40 40 LEU HD11 H 1 0.926 0.008 . 2 . . . . . 262 Leu HD11 . 27978 1 508 . 1 . 1 40 40 LEU HD12 H 1 0.926 0.008 . 2 . . . . . 262 Leu HD12 . 27978 1 509 . 1 . 1 40 40 LEU HD13 H 1 0.926 0.008 . 2 . . . . . 262 Leu HD13 . 27978 1 510 . 1 . 1 40 40 LEU HD21 H 1 0.813 0.005 . 2 . . . . . 262 Leu HD21 . 27978 1 511 . 1 . 1 40 40 LEU HD22 H 1 0.813 0.005 . 2 . . . . . 262 Leu HD22 . 27978 1 512 . 1 . 1 40 40 LEU HD23 H 1 0.813 0.005 . 2 . . . . . 262 Leu HD23 . 27978 1 513 . 1 . 1 40 40 LEU C C 13 179.059 0.000 . 1 . . . . . 262 Leu C . 27978 1 514 . 1 . 1 40 40 LEU CA C 13 58.039 0.060 . 1 . . . . . 262 Leu CA . 27978 1 515 . 1 . 1 40 40 LEU CB C 13 42.109 0.049 . 1 . . . . . 262 Leu CB . 27978 1 516 . 1 . 1 40 40 LEU CG C 13 26.861 0.092 . 1 . . . . . 262 Leu CG . 27978 1 517 . 1 . 1 40 40 LEU CD1 C 13 25.224 0.033 . 2 . . . . . 262 Leu CD1 . 27978 1 518 . 1 . 1 40 40 LEU CD2 C 13 25.263 0.063 . 2 . . . . . 262 Leu CD2 . 27978 1 519 . 1 . 1 40 40 LEU N N 15 121.490 0.043 . 1 . . . . . 262 Leu N . 27978 1 520 . 1 . 1 41 41 GLY H H 1 8.297 0.005 . 1 . . . . . 263 Gly H . 27978 1 521 . 1 . 1 41 41 GLY HA2 H 1 3.859 0.007 . 2 . . . . . 263 Gly HA2 . 27978 1 522 . 1 . 1 41 41 GLY HA3 H 1 3.662 0.007 . 2 . . . . . 263 Gly HA3 . 27978 1 523 . 1 . 1 41 41 GLY C C 13 174.800 0.092 . 1 . . . . . 263 Gly C . 27978 1 524 . 1 . 1 41 41 GLY CA C 13 47.605 0.064 . 1 . . . . . 263 Gly CA . 27978 1 525 . 1 . 1 41 41 GLY N N 15 104.390 0.048 . 1 . . . . . 263 Gly N . 27978 1 526 . 1 . 1 42 42 GLN H H 1 7.486 0.008 . 1 . . . . . 264 Gln H . 27978 1 527 . 1 . 1 42 42 GLN HA H 1 4.197 0.007 . 1 . . . . . 264 Gln HA . 27978 1 528 . 1 . 1 42 42 GLN HB2 H 1 2.251 0.004 . 2 . . . . . 264 Gln HB2 . 27978 1 529 . 1 . 1 42 42 GLN HB3 H 1 2.203 0.002 . 2 . . . . . 264 Gln HB3 . 27978 1 530 . 1 . 1 42 42 GLN HG2 H 1 2.514 0.003 . 2 . . . . . 264 Gln HG2 . 27978 1 531 . 1 . 1 42 42 GLN HG3 H 1 2.465 0.006 . 2 . . . . . 264 Gln HG3 . 27978 1 532 . 1 . 1 42 42 GLN HE21 H 1 7.543 0.004 . 1 . . . . . 264 Gln HE21 . 27978 1 533 . 1 . 1 42 42 GLN HE22 H 1 6.860 0.003 . 1 . . . . . 264 Gln HE22 . 27978 1 534 . 1 . 1 42 42 GLN C C 13 177.575 0.028 . 1 . . . . . 264 Gln C . 27978 1 535 . 1 . 1 42 42 GLN CA C 13 57.661 0.071 . 1 . . . . . 264 Gln CA . 27978 1 536 . 1 . 1 42 42 GLN CB C 13 28.903 0.035 . 1 . . . . . 264 Gln CB . 27978 1 537 . 1 . 1 42 42 GLN CG C 13 34.216 0.057 . 1 . . . . . 264 Gln CG . 27978 1 538 . 1 . 1 42 42 GLN N N 15 117.874 0.022 . 1 . . . . . 264 Gln N . 27978 1 539 . 1 . 1 42 42 GLN NE2 N 15 112.014 0.022 . 1 . . . . . 264 Gln NE2 . 27978 1 540 . 1 . 1 43 43 GLU H H 1 7.757 0.008 . 1 . . . . . 265 Glu H . 27978 1 541 . 1 . 1 43 43 GLU HA H 1 4.322 0.005 . 1 . . . . . 265 Glu HA . 27978 1 542 . 1 . 1 43 43 GLU HB2 H 1 2.136 0.002 . 2 . . . . . 265 Glu HB2 . 27978 1 543 . 1 . 1 43 43 GLU HB3 H 1 2.077 0.009 . 2 . . . . . 265 Glu HB3 . 27978 1 544 . 1 . 1 43 43 GLU HG2 H 1 2.330 0.008 . 2 . . . . . 265 Glu HG2 . 27978 1 545 . 1 . 1 43 43 GLU HG3 H 1 2.443 0.008 . 2 . . . . . 265 Glu HG3 . 27978 1 546 . 1 . 1 43 43 GLU C C 13 177.129 0.005 . 1 . . . . . 265 Glu C . 27978 1 547 . 1 . 1 43 43 GLU CA C 13 57.616 0.094 . 1 . . . . . 265 Glu CA . 27978 1 548 . 1 . 1 43 43 GLU CB C 13 31.176 0.060 . 1 . . . . . 265 Glu CB . 27978 1 549 . 1 . 1 43 43 GLU CG C 13 36.425 0.094 . 1 . . . . . 265 Glu CG . 27978 1 550 . 1 . 1 43 43 GLU N N 15 116.985 0.037 . 1 . . . . . 265 Glu N . 27978 1 551 . 1 . 1 44 44 ASN H H 1 8.752 0.011 . 1 . . . . . 266 Asn H . 27978 1 552 . 1 . 1 44 44 ASN HA H 1 5.045 0.009 . 1 . . . . . 266 Asn HA . 27978 1 553 . 1 . 1 44 44 ASN HB2 H 1 3.105 0.009 . 2 . . . . . 266 Asn HB2 . 27978 1 554 . 1 . 1 44 44 ASN HB3 H 1 2.669 0.005 . 2 . . . . . 266 Asn HB3 . 27978 1 555 . 1 . 1 44 44 ASN HD21 H 1 7.857 0.004 . 1 . . . . . 266 Asn HD21 . 27978 1 556 . 1 . 1 44 44 ASN HD22 H 1 7.019 0.005 . 1 . . . . . 266 Asn HD22 . 27978 1 557 . 1 . 1 44 44 ASN C C 13 171.563 0.000 . 1 . . . . . 266 Asn C . 27978 1 558 . 1 . 1 44 44 ASN CA C 13 50.791 0.068 . 1 . . . . . 266 Asn CA . 27978 1 559 . 1 . 1 44 44 ASN CB C 13 38.711 0.069 . 1 . . . . . 266 Asn CB . 27978 1 560 . 1 . 1 44 44 ASN N N 15 115.757 0.051 . 1 . . . . . 266 Asn N . 27978 1 561 . 1 . 1 44 44 ASN ND2 N 15 112.490 0.034 . 1 . . . . . 266 Asn ND2 . 27978 1 562 . 1 . 1 45 45 PRO HA H 1 4.347 0.005 . 1 . . . . . 267 Pro HA . 27978 1 563 . 1 . 1 45 45 PRO HB2 H 1 2.509 0.011 . 2 . . . . . 267 Pro HB2 . 27978 1 564 . 1 . 1 45 45 PRO HB3 H 1 2.018 0.009 . 2 . . . . . 267 Pro HB3 . 27978 1 565 . 1 . 1 45 45 PRO HG2 H 1 2.125 0.010 . 2 . . . . . 267 Pro HG2 . 27978 1 566 . 1 . 1 45 45 PRO HG3 H 1 2.178 0.002 . 2 . . . . . 267 Pro HG3 . 27978 1 567 . 1 . 1 45 45 PRO HD2 H 1 3.871 0.006 . 2 . . . . . 267 Pro HD2 . 27978 1 568 . 1 . 1 45 45 PRO HD3 H 1 3.415 0.009 . 2 . . . . . 267 Pro HD3 . 27978 1 569 . 1 . 1 45 45 PRO C C 13 179.769 0.040 . 1 . . . . . 267 Pro C . 27978 1 570 . 1 . 1 45 45 PRO CA C 13 65.345 0.068 . 1 . . . . . 267 Pro CA . 27978 1 571 . 1 . 1 45 45 PRO CB C 13 31.677 0.061 . 1 . . . . . 267 Pro CB . 27978 1 572 . 1 . 1 45 45 PRO CG C 13 27.283 0.048 . 1 . . . . . 267 Pro CG . 27978 1 573 . 1 . 1 45 45 PRO CD C 13 50.194 0.088 . 1 . . . . . 267 Pro CD . 27978 1 574 . 1 . 1 46 46 GLN H H 1 8.597 0.004 . 1 . . . . . 268 Gln H . 27978 1 575 . 1 . 1 46 46 GLN HA H 1 4.121 0.006 . 1 . . . . . 268 Gln HA . 27978 1 576 . 1 . 1 46 46 GLN HB2 H 1 2.110 0.004 . 2 . . . . . 268 Gln HB2 . 27978 1 577 . 1 . 1 46 46 GLN HB3 H 1 2.175 0.013 . 2 . . . . . 268 Gln HB3 . 27978 1 578 . 1 . 1 46 46 GLN HG3 H 1 2.461 0.007 . 1 . . . . . 268 Gln HG3 . 27978 1 579 . 1 . 1 46 46 GLN HE21 H 1 7.458 0.019 . 1 . . . . . 268 Gln HE21 . 27978 1 580 . 1 . 1 46 46 GLN HE22 H 1 6.976 0.025 . 1 . . . . . 268 Gln HE22 . 27978 1 581 . 1 . 1 46 46 GLN C C 13 178.583 0.006 . 1 . . . . . 268 Gln C . 27978 1 582 . 1 . 1 46 46 GLN CA C 13 59.258 0.053 . 1 . . . . . 268 Gln CA . 27978 1 583 . 1 . 1 46 46 GLN CB C 13 27.875 0.056 . 1 . . . . . 268 Gln CB . 27978 1 584 . 1 . 1 46 46 GLN CG C 13 34.509 0.042 . 1 . . . . . 268 Gln CG . 27978 1 585 . 1 . 1 46 46 GLN N N 15 117.829 0.066 . 1 . . . . . 268 Gln N . 27978 1 586 . 1 . 1 46 46 GLN NE2 N 15 111.887 0.055 . 1 . . . . . 268 Gln NE2 . 27978 1 587 . 1 . 1 47 47 LEU H H 1 7.520 0.006 . 1 . . . . . 269 Leu H . 27978 1 588 . 1 . 1 47 47 LEU HA H 1 4.354 0.010 . 1 . . . . . 269 Leu HA . 27978 1 589 . 1 . 1 47 47 LEU HB2 H 1 1.587 0.006 . 2 . . . . . 269 Leu HB2 . 27978 1 590 . 1 . 1 47 47 LEU HB3 H 1 1.743 0.013 . 2 . . . . . 269 Leu HB3 . 27978 1 591 . 1 . 1 47 47 LEU HG H 1 1.584 0.004 . 1 . . . . . 269 Leu HG . 27978 1 592 . 1 . 1 47 47 LEU HD11 H 1 0.970 0.010 . 2 . . . . . 269 Leu HD11 . 27978 1 593 . 1 . 1 47 47 LEU HD12 H 1 0.970 0.010 . 2 . . . . . 269 Leu HD12 . 27978 1 594 . 1 . 1 47 47 LEU HD13 H 1 0.970 0.010 . 2 . . . . . 269 Leu HD13 . 27978 1 595 . 1 . 1 47 47 LEU HD21 H 1 1.107 0.008 . 2 . . . . . 269 Leu HD21 . 27978 1 596 . 1 . 1 47 47 LEU HD22 H 1 1.107 0.008 . 2 . . . . . 269 Leu HD22 . 27978 1 597 . 1 . 1 47 47 LEU HD23 H 1 1.107 0.008 . 2 . . . . . 269 Leu HD23 . 27978 1 598 . 1 . 1 47 47 LEU C C 13 178.889 0.059 . 1 . . . . . 269 Leu C . 27978 1 599 . 1 . 1 47 47 LEU CA C 13 57.205 0.065 . 1 . . . . . 269 Leu CA . 27978 1 600 . 1 . 1 47 47 LEU CB C 13 41.805 0.091 . 1 . . . . . 269 Leu CB . 27978 1 601 . 1 . 1 47 47 LEU CG C 13 27.190 0.037 . 1 . . . . . 269 Leu CG . 27978 1 602 . 1 . 1 47 47 LEU CD1 C 13 25.635 0.057 . 2 . . . . . 269 Leu CD1 . 27978 1 603 . 1 . 1 47 47 LEU CD2 C 13 23.587 0.060 . 2 . . . . . 269 Leu CD2 . 27978 1 604 . 1 . 1 47 47 LEU N N 15 121.865 0.053 . 1 . . . . . 269 Leu N . 27978 1 605 . 1 . 1 48 48 LEU H H 1 7.526 0.005 . 1 . . . . . 270 Leu H . 27978 1 606 . 1 . 1 48 48 LEU HA H 1 3.980 0.009 . 1 . . . . . 270 Leu HA . 27978 1 607 . 1 . 1 48 48 LEU HB2 H 1 1.944 0.010 . 2 . . . . . 270 Leu HB2 . 27978 1 608 . 1 . 1 48 48 LEU HB3 H 1 1.308 0.008 . 2 . . . . . 270 Leu HB3 . 27978 1 609 . 1 . 1 48 48 LEU HG H 1 1.634 0.008 . 1 . . . . . 270 Leu HG . 27978 1 610 . 1 . 1 48 48 LEU HD11 H 1 0.890 0.006 . 2 . . . . . 270 Leu HD11 . 27978 1 611 . 1 . 1 48 48 LEU HD12 H 1 0.890 0.006 . 2 . . . . . 270 Leu HD12 . 27978 1 612 . 1 . 1 48 48 LEU HD13 H 1 0.890 0.006 . 2 . . . . . 270 Leu HD13 . 27978 1 613 . 1 . 1 48 48 LEU HD21 H 1 0.917 0.005 . 2 . . . . . 270 Leu HD21 . 27978 1 614 . 1 . 1 48 48 LEU HD22 H 1 0.917 0.005 . 2 . . . . . 270 Leu HD22 . 27978 1 615 . 1 . 1 48 48 LEU HD23 H 1 0.917 0.005 . 2 . . . . . 270 Leu HD23 . 27978 1 616 . 1 . 1 48 48 LEU C C 13 178.852 0.003 . 1 . . . . . 270 Leu C . 27978 1 617 . 1 . 1 48 48 LEU CA C 13 57.714 0.103 . 1 . . . . . 270 Leu CA . 27978 1 618 . 1 . 1 48 48 LEU CB C 13 40.729 0.095 . 1 . . . . . 270 Leu CB . 27978 1 619 . 1 . 1 48 48 LEU CG C 13 27.249 0.052 . 1 . . . . . 270 Leu CG . 27978 1 620 . 1 . 1 48 48 LEU CD1 C 13 23.608 0.046 . 2 . . . . . 270 Leu CD1 . 27978 1 621 . 1 . 1 48 48 LEU CD2 C 13 25.207 0.087 . 2 . . . . . 270 Leu CD2 . 27978 1 622 . 1 . 1 48 48 LEU N N 15 118.283 0.055 . 1 . . . . . 270 Leu N . 27978 1 623 . 1 . 1 49 49 GLN H H 1 8.017 0.006 . 1 . . . . . 271 Gln H . 27978 1 624 . 1 . 1 49 49 GLN HA H 1 4.019 0.008 . 1 . . . . . 271 Gln HA . 27978 1 625 . 1 . 1 49 49 GLN HB2 H 1 2.223 0.002 . 2 . . . . . 271 Gln HB2 . 27978 1 626 . 1 . 1 49 49 GLN HB3 H 1 2.184 0.012 . 2 . . . . . 271 Gln HB3 . 27978 1 627 . 1 . 1 49 49 GLN HG2 H 1 2.378 0.011 . 2 . . . . . 271 Gln HG2 . 27978 1 628 . 1 . 1 49 49 GLN HG3 H 1 2.494 0.012 . 2 . . . . . 271 Gln HG3 . 27978 1 629 . 1 . 1 49 49 GLN HE21 H 1 7.523 0.002 . 1 . . . . . 271 Gln HE21 . 27978 1 630 . 1 . 1 49 49 GLN HE22 H 1 6.854 0.013 . 1 . . . . . 271 Gln HE22 . 27978 1 631 . 1 . 1 49 49 GLN C C 13 178.657 0.069 . 1 . . . . . 271 Gln C . 27978 1 632 . 1 . 1 49 49 GLN CA C 13 59.222 0.026 . 1 . . . . . 271 Gln CA . 27978 1 633 . 1 . 1 49 49 GLN CB C 13 28.217 0.044 . 1 . . . . . 271 Gln CB . 27978 1 634 . 1 . 1 49 49 GLN CG C 13 33.953 0.047 . 1 . . . . . 271 Gln CG . 27978 1 635 . 1 . 1 49 49 GLN N N 15 118.642 0.092 . 1 . . . . . 271 Gln N . 27978 1 636 . 1 . 1 49 49 GLN NE2 N 15 111.700 0.065 . 1 . . . . . 271 Gln NE2 . 27978 1 637 . 1 . 1 50 50 GLN H H 1 7.709 0.009 . 1 . . . . . 272 Gln H . 27978 1 638 . 1 . 1 50 50 GLN HA H 1 4.154 0.011 . 1 . . . . . 272 Gln HA . 27978 1 639 . 1 . 1 50 50 GLN HB2 H 1 2.339 0.012 . 2 . . . . . 272 Gln HB2 . 27978 1 640 . 1 . 1 50 50 GLN HB3 H 1 2.220 0.009 . 2 . . . . . 272 Gln HB3 . 27978 1 641 . 1 . 1 50 50 GLN HG2 H 1 2.573 0.007 . 2 . . . . . 272 Gln HG2 . 27978 1 642 . 1 . 1 50 50 GLN HG3 H 1 2.446 0.006 . 2 . . . . . 272 Gln HG3 . 27978 1 643 . 1 . 1 50 50 GLN HE21 H 1 6.606 0.008 . 1 . . . . . 272 Gln HE21 . 27978 1 644 . 1 . 1 50 50 GLN HE22 H 1 7.293 0.006 . 1 . . . . . 272 Gln HE22 . 27978 1 645 . 1 . 1 50 50 GLN C C 13 178.571 0.118 . 1 . . . . . 272 Gln C . 27978 1 646 . 1 . 1 50 50 GLN CA C 13 59.210 0.133 . 1 . . . . . 272 Gln CA . 27978 1 647 . 1 . 1 50 50 GLN CB C 13 29.006 0.137 . 1 . . . . . 272 Gln CB . 27978 1 648 . 1 . 1 50 50 GLN CG C 13 34.071 0.094 . 1 . . . . . 272 Gln CG . 27978 1 649 . 1 . 1 50 50 GLN N N 15 119.025 0.060 . 1 . . . . . 272 Gln N . 27978 1 650 . 1 . 1 50 50 GLN NE2 N 15 109.784 0.078 . 1 . . . . . 272 Gln NE2 . 27978 1 651 . 1 . 1 51 51 ILE H H 1 8.234 0.008 . 1 . . . . . 273 Ile H . 27978 1 652 . 1 . 1 51 51 ILE HA H 1 3.470 0.005 . 1 . . . . . 273 Ile HA . 27978 1 653 . 1 . 1 51 51 ILE HB H 1 1.608 0.006 . 1 . . . . . 273 Ile HB . 27978 1 654 . 1 . 1 51 51 ILE HG12 H 1 0.492 0.011 . 2 . . . . . 273 Ile HG12 . 27978 1 655 . 1 . 1 51 51 ILE HG13 H 1 1.555 0.011 . 2 . . . . . 273 Ile HG13 . 27978 1 656 . 1 . 1 51 51 ILE HG21 H 1 0.088 0.007 . 1 . . . . . 273 Ile HG21 . 27978 1 657 . 1 . 1 51 51 ILE HG22 H 1 0.088 0.007 . 1 . . . . . 273 Ile HG22 . 27978 1 658 . 1 . 1 51 51 ILE HG23 H 1 0.088 0.007 . 1 . . . . . 273 Ile HG23 . 27978 1 659 . 1 . 1 51 51 ILE HD11 H 1 0.329 0.008 . 1 . . . . . 273 Ile HD11 . 27978 1 660 . 1 . 1 51 51 ILE HD12 H 1 0.329 0.008 . 1 . . . . . 273 Ile HD12 . 27978 1 661 . 1 . 1 51 51 ILE HD13 H 1 0.329 0.008 . 1 . . . . . 273 Ile HD13 . 27978 1 662 . 1 . 1 51 51 ILE C C 13 177.646 0.000 . 1 . . . . . 273 Ile C . 27978 1 663 . 1 . 1 51 51 ILE CA C 13 65.690 0.093 . 1 . . . . . 273 Ile CA . 27978 1 664 . 1 . 1 51 51 ILE CB C 13 38.081 0.087 . 1 . . . . . 273 Ile CB . 27978 1 665 . 1 . 1 51 51 ILE CG1 C 13 29.374 0.074 . 1 . . . . . 273 Ile CG1 . 27978 1 666 . 1 . 1 51 51 ILE CG2 C 13 15.872 0.065 . 1 . . . . . 273 Ile CG2 . 27978 1 667 . 1 . 1 51 51 ILE CD1 C 13 14.161 0.087 . 1 . . . . . 273 Ile CD1 . 27978 1 668 . 1 . 1 51 51 ILE N N 15 118.999 0.080 . 1 . . . . . 273 Ile N . 27978 1 669 . 1 . 1 52 52 SER H H 1 8.266 0.006 . 1 . . . . . 274 Ser H . 27978 1 670 . 1 . 1 52 52 SER HA H 1 4.135 0.010 . 1 . . . . . 274 Ser HA . 27978 1 671 . 1 . 1 52 52 SER HB2 H 1 3.940 0.009 . 2 . . . . . 274 Ser HB2 . 27978 1 672 . 1 . 1 52 52 SER HB3 H 1 3.909 0.010 . 2 . . . . . 274 Ser HB3 . 27978 1 673 . 1 . 1 52 52 SER C C 13 176.288 0.055 . 1 . . . . . 274 Ser C . 27978 1 674 . 1 . 1 52 52 SER CA C 13 61.469 0.089 . 1 . . . . . 274 Ser CA . 27978 1 675 . 1 . 1 52 52 SER CB C 13 63.110 0.123 . 1 . . . . . 274 Ser CB . 27978 1 676 . 1 . 1 52 52 SER N N 15 113.114 0.078 . 1 . . . . . 274 Ser N . 27978 1 677 . 1 . 1 53 53 ARG H H 1 7.467 0.009 . 1 . . . . . 275 Arg H . 27978 1 678 . 1 . 1 53 53 ARG HA H 1 4.140 0.008 . 1 . . . . . 275 Arg HA . 27978 1 679 . 1 . 1 53 53 ARG HB2 H 1 1.592 0.008 . 2 . . . . . 275 Arg HB2 . 27978 1 680 . 1 . 1 53 53 ARG HB3 H 1 1.731 0.006 . 2 . . . . . 275 Arg HB3 . 27978 1 681 . 1 . 1 53 53 ARG HG2 H 1 1.559 0.009 . 2 . . . . . 275 Arg HG2 . 27978 1 682 . 1 . 1 53 53 ARG HG3 H 1 1.391 0.011 . 2 . . . . . 275 Arg HG3 . 27978 1 683 . 1 . 1 53 53 ARG HD2 H 1 3.148 0.008 . 1 . . . . . 275 Arg HD2 . 27978 1 684 . 1 . 1 53 53 ARG C C 13 176.194 0.016 . 1 . . . . . 275 Arg C . 27978 1 685 . 1 . 1 53 53 ARG CA C 13 57.543 0.096 . 1 . . . . . 275 Arg CA . 27978 1 686 . 1 . 1 53 53 ARG CB C 13 30.658 0.090 . 1 . . . . . 275 Arg CB . 27978 1 687 . 1 . 1 53 53 ARG CG C 13 27.445 0.082 . 1 . . . . . 275 Arg CG . 27978 1 688 . 1 . 1 53 53 ARG CD C 13 43.530 0.108 . 1 . . . . . 275 Arg CD . 27978 1 689 . 1 . 1 53 53 ARG N N 15 119.809 0.064 . 1 . . . . . 275 Arg N . 27978 1 690 . 1 . 1 54 54 HIS H H 1 7.655 0.011 . 1 . . . . . 276 His H . 27978 1 691 . 1 . 1 54 54 HIS HA H 1 5.140 0.008 . 1 . . . . . 276 His HA . 27978 1 692 . 1 . 1 54 54 HIS HB2 H 1 2.863 0.009 . 2 . . . . . 276 His HB2 . 27978 1 693 . 1 . 1 54 54 HIS HB3 H 1 3.426 0.007 . 2 . . . . . 276 His HB3 . 27978 1 694 . 1 . 1 54 54 HIS HD2 H 1 7.132 0.014 . 1 . . . . . 276 His HD2 . 27978 1 695 . 1 . 1 54 54 HIS C C 13 175.864 0.000 . 1 . . . . . 276 His C . 27978 1 696 . 1 . 1 54 54 HIS CA C 13 54.214 0.136 . 1 . . . . . 276 His CA . 27978 1 697 . 1 . 1 54 54 HIS CB C 13 29.725 0.092 . 1 . . . . . 276 His CB . 27978 1 698 . 1 . 1 54 54 HIS CD2 C 13 123.267 0.070 . 1 . . . . . 276 His CD2 . 27978 1 699 . 1 . 1 54 54 HIS N N 15 119.601 0.049 . 1 . . . . . 276 His N . 27978 1 700 . 1 . 1 55 55 GLN H H 1 7.617 0.027 . 1 . . . . . 277 Gln H . 27978 1 701 . 1 . 1 55 55 GLN HA H 1 4.064 0.006 . 1 . . . . . 277 Gln HA . 27978 1 702 . 1 . 1 55 55 GLN HB2 H 1 2.297 0.014 . 2 . . . . . 277 Gln HB2 . 27978 1 703 . 1 . 1 55 55 GLN HB3 H 1 2.117 0.007 . 2 . . . . . 277 Gln HB3 . 27978 1 704 . 1 . 1 55 55 GLN HG2 H 1 2.457 0.014 . 2 . . . . . 277 Gln HG2 . 27978 1 705 . 1 . 1 55 55 GLN HG3 H 1 2.423 0.007 . 2 . . . . . 277 Gln HG3 . 27978 1 706 . 1 . 1 55 55 GLN HE21 H 1 7.359 0.008 . 1 . . . . . 277 Gln HE21 . 27978 1 707 . 1 . 1 55 55 GLN HE22 H 1 6.547 0.009 . 1 . . . . . 277 Gln HE22 . 27978 1 708 . 1 . 1 55 55 GLN C C 13 178.147 0.068 . 1 . . . . . 277 Gln C . 27978 1 709 . 1 . 1 55 55 GLN CA C 13 60.523 0.068 . 1 . . . . . 277 Gln CA . 27978 1 710 . 1 . 1 55 55 GLN CB C 13 29.136 0.074 . 1 . . . . . 277 Gln CB . 27978 1 711 . 1 . 1 55 55 GLN CG C 13 34.265 0.075 . 1 . . . . . 277 Gln CG . 27978 1 712 . 1 . 1 55 55 GLN N N 15 121.322 0.048 . 1 . . . . . 277 Gln N . 27978 1 713 . 1 . 1 55 55 GLN NE2 N 15 109.727 0.056 . 1 . . . . . 277 Gln NE2 . 27978 1 714 . 1 . 1 56 56 GLU H H 1 8.890 0.007 . 1 . . . . . 278 Glu H . 27978 1 715 . 1 . 1 56 56 GLU HA H 1 4.073 0.007 . 1 . . . . . 278 Glu HA . 27978 1 716 . 1 . 1 56 56 GLU HB2 H 1 2.036 0.004 . 2 . . . . . 278 Glu HB2 . 27978 1 717 . 1 . 1 56 56 GLU HB3 H 1 2.112 0.005 . 2 . . . . . 278 Glu HB3 . 27978 1 718 . 1 . 1 56 56 GLU HG3 H 1 2.359 0.008 . 1 . . . . . 278 Glu HG3 . 27978 1 719 . 1 . 1 56 56 GLU C C 13 179.472 0.003 . 1 . . . . . 278 Glu C . 27978 1 720 . 1 . 1 56 56 GLU CA C 13 60.103 0.078 . 1 . . . . . 278 Glu CA . 27978 1 721 . 1 . 1 56 56 GLU CB C 13 28.907 0.039 . 1 . . . . . 278 Glu CB . 27978 1 722 . 1 . 1 56 56 GLU CG C 13 36.743 0.088 . 1 . . . . . 278 Glu CG . 27978 1 723 . 1 . 1 56 56 GLU N N 15 118.102 0.066 . 1 . . . . . 278 Glu N . 27978 1 724 . 1 . 1 57 57 GLN H H 1 8.114 0.005 . 1 . . . . . 279 Gln H . 27978 1 725 . 1 . 1 57 57 GLN HA H 1 4.112 0.025 . 1 . . . . . 279 Gln HA . 27978 1 726 . 1 . 1 57 57 GLN HB2 H 1 2.147 0.016 . 2 . . . . . 279 Gln HB2 . 27978 1 727 . 1 . 1 57 57 GLN HB3 H 1 2.275 0.005 . 2 . . . . . 279 Gln HB3 . 27978 1 728 . 1 . 1 57 57 GLN HG2 H 1 2.500 0.014 . 2 . . . . . 279 Gln HG2 . 27978 1 729 . 1 . 1 57 57 GLN HG3 H 1 2.415 0.008 . 2 . . . . . 279 Gln HG3 . 27978 1 730 . 1 . 1 57 57 GLN HE21 H 1 7.499 0.015 . 1 . . . . . 279 Gln HE21 . 27978 1 731 . 1 . 1 57 57 GLN HE22 H 1 6.862 0.010 . 1 . . . . . 279 Gln HE22 . 27978 1 732 . 1 . 1 57 57 GLN C C 13 178.285 0.054 . 1 . . . . . 279 Gln C . 27978 1 733 . 1 . 1 57 57 GLN CA C 13 59.349 0.066 . 1 . . . . . 279 Gln CA . 27978 1 734 . 1 . 1 57 57 GLN CB C 13 27.872 0.103 . 1 . . . . . 279 Gln CB . 27978 1 735 . 1 . 1 57 57 GLN CG C 13 34.634 0.116 . 1 . . . . . 279 Gln CG . 27978 1 736 . 1 . 1 57 57 GLN N N 15 119.611 0.050 . 1 . . . . . 279 Gln N . 27978 1 737 . 1 . 1 57 57 GLN NE2 N 15 111.862 0.005 . 1 . . . . . 279 Gln NE2 . 27978 1 738 . 1 . 1 58 58 PHE H H 1 8.360 0.011 . 1 . . . . . 280 Phe H . 27978 1 739 . 1 . 1 58 58 PHE HA H 1 4.200 0.014 . 1 . . . . . 280 Phe HA . 27978 1 740 . 1 . 1 58 58 PHE HB2 H 1 3.328 0.010 . 2 . . . . . 280 Phe HB2 . 27978 1 741 . 1 . 1 58 58 PHE HB3 H 1 3.083 0.009 . 2 . . . . . 280 Phe HB3 . 27978 1 742 . 1 . 1 58 58 PHE HD1 H 1 7.082 0.007 . 3 . . . . . 280 Phe HD1 . 27978 1 743 . 1 . 1 58 58 PHE HD2 H 1 7.082 0.007 . 3 . . . . . 280 Phe HD2 . 27978 1 744 . 1 . 1 58 58 PHE HE1 H 1 7.236 0.006 . 3 . . . . . 280 Phe HE1 . 27978 1 745 . 1 . 1 58 58 PHE HE2 H 1 7.236 0.006 . 3 . . . . . 280 Phe HE2 . 27978 1 746 . 1 . 1 58 58 PHE HZ H 1 7.303 0.007 . 1 . . . . . 280 Phe HZ . 27978 1 747 . 1 . 1 58 58 PHE C C 13 176.288 0.061 . 1 . . . . . 280 Phe C . 27978 1 748 . 1 . 1 58 58 PHE CA C 13 61.058 0.086 . 1 . . . . . 280 Phe CA . 27978 1 749 . 1 . 1 58 58 PHE CB C 13 39.206 0.087 . 1 . . . . . 280 Phe CB . 27978 1 750 . 1 . 1 58 58 PHE CD1 C 13 131.923 0.029 . 3 . . . . . 280 Phe CD1 . 27978 1 751 . 1 . 1 58 58 PHE CD2 C 13 131.923 0.029 . 3 . . . . . 280 Phe CD2 . 27978 1 752 . 1 . 1 58 58 PHE CE1 C 13 130.884 0.000 . 3 . . . . . 280 Phe CE1 . 27978 1 753 . 1 . 1 58 58 PHE CE2 C 13 130.884 0.000 . 3 . . . . . 280 Phe CE2 . 27978 1 754 . 1 . 1 58 58 PHE CZ C 13 129.361 0.020 . 1 . . . . . 280 Phe CZ . 27978 1 755 . 1 . 1 58 58 PHE N N 15 121.288 0.070 . 1 . . . . . 280 Phe N . 27978 1 756 . 1 . 1 59 59 ILE H H 1 8.369 0.006 . 1 . . . . . 281 Ile H . 27978 1 757 . 1 . 1 59 59 ILE HA H 1 3.433 0.005 . 1 . . . . . 281 Ile HA . 27978 1 758 . 1 . 1 59 59 ILE HB H 1 2.021 0.006 . 1 . . . . . 281 Ile HB . 27978 1 759 . 1 . 1 59 59 ILE HG12 H 1 1.472 0.011 . 2 . . . . . 281 Ile HG12 . 27978 1 760 . 1 . 1 59 59 ILE HG13 H 1 1.734 0.009 . 2 . . . . . 281 Ile HG13 . 27978 1 761 . 1 . 1 59 59 ILE HG21 H 1 0.893 0.009 . 1 . . . . . 281 Ile HG21 . 27978 1 762 . 1 . 1 59 59 ILE HG22 H 1 0.893 0.009 . 1 . . . . . 281 Ile HG22 . 27978 1 763 . 1 . 1 59 59 ILE HG23 H 1 0.893 0.009 . 1 . . . . . 281 Ile HG23 . 27978 1 764 . 1 . 1 59 59 ILE HD11 H 1 0.856 0.008 . 1 . . . . . 281 Ile HD11 . 27978 1 765 . 1 . 1 59 59 ILE HD12 H 1 0.856 0.008 . 1 . . . . . 281 Ile HD12 . 27978 1 766 . 1 . 1 59 59 ILE HD13 H 1 0.856 0.008 . 1 . . . . . 281 Ile HD13 . 27978 1 767 . 1 . 1 59 59 ILE C C 13 178.707 0.065 . 1 . . . . . 281 Ile C . 27978 1 768 . 1 . 1 59 59 ILE CA C 13 63.918 0.066 . 1 . . . . . 281 Ile CA . 27978 1 769 . 1 . 1 59 59 ILE CB C 13 37.135 0.097 . 1 . . . . . 281 Ile CB . 27978 1 770 . 1 . 1 59 59 ILE CG1 C 13 28.727 0.081 . 1 . . . . . 281 Ile CG1 . 27978 1 771 . 1 . 1 59 59 ILE CG2 C 13 17.519 0.052 . 1 . . . . . 281 Ile CG2 . 27978 1 772 . 1 . 1 59 59 ILE CD1 C 13 11.756 0.066 . 1 . . . . . 281 Ile CD1 . 27978 1 773 . 1 . 1 59 59 ILE N N 15 118.618 0.059 . 1 . . . . . 281 Ile N . 27978 1 774 . 1 . 1 60 60 GLN H H 1 7.791 0.009 . 1 . . . . . 282 Gln H . 27978 1 775 . 1 . 1 60 60 GLN HA H 1 4.050 0.007 . 1 . . . . . 282 Gln HA . 27978 1 776 . 1 . 1 60 60 GLN HB2 H 1 2.201 0.002 . 2 . . . . . 282 Gln HB2 . 27978 1 777 . 1 . 1 60 60 GLN HB3 H 1 2.181 0.011 . 2 . . . . . 282 Gln HB3 . 27978 1 778 . 1 . 1 60 60 GLN HG2 H 1 2.511 0.005 . 2 . . . . . 282 Gln HG2 . 27978 1 779 . 1 . 1 60 60 GLN HG3 H 1 2.474 0.008 . 2 . . . . . 282 Gln HG3 . 27978 1 780 . 1 . 1 60 60 GLN HE21 H 1 7.512 0.002 . 1 . . . . . 282 Gln HE21 . 27978 1 781 . 1 . 1 60 60 GLN HE22 H 1 6.851 0.011 . 1 . . . . . 282 Gln HE22 . 27978 1 782 . 1 . 1 60 60 GLN C C 13 179.337 0.096 . 1 . . . . . 282 Gln C . 27978 1 783 . 1 . 1 60 60 GLN CA C 13 59.258 0.073 . 1 . . . . . 282 Gln CA . 27978 1 784 . 1 . 1 60 60 GLN CB C 13 28.316 0.042 . 1 . . . . . 282 Gln CB . 27978 1 785 . 1 . 1 60 60 GLN CG C 13 33.881 0.030 . 1 . . . . . 282 Gln CG . 27978 1 786 . 1 . 1 60 60 GLN N N 15 119.186 0.074 . 1 . . . . . 282 Gln N . 27978 1 787 . 1 . 1 61 61 MET H H 1 8.026 0.005 . 1 . . . . . 283 Met H . 27978 1 788 . 1 . 1 61 61 MET HA H 1 4.167 0.009 . 1 . . . . . 283 Met HA . 27978 1 789 . 1 . 1 61 61 MET HB2 H 1 2.160 0.004 . 2 . . . . . 283 Met HB2 . 27978 1 790 . 1 . 1 61 61 MET HB3 H 1 2.210 0.006 . 2 . . . . . 283 Met HB3 . 27978 1 791 . 1 . 1 61 61 MET HG2 H 1 2.771 0.005 . 2 . . . . . 283 Met HG2 . 27978 1 792 . 1 . 1 61 61 MET HG3 H 1 2.457 0.008 . 2 . . . . . 283 Met HG3 . 27978 1 793 . 1 . 1 61 61 MET HE1 H 1 1.647 0.005 . 1 . . . . . 283 Met HE1 . 27978 1 794 . 1 . 1 61 61 MET HE2 H 1 1.647 0.005 . 1 . . . . . 283 Met HE2 . 27978 1 795 . 1 . 1 61 61 MET HE3 H 1 1.647 0.005 . 1 . . . . . 283 Met HE3 . 27978 1 796 . 1 . 1 61 61 MET C C 13 179.264 0.000 . 1 . . . . . 283 Met C . 27978 1 797 . 1 . 1 61 61 MET CA C 13 58.892 0.027 . 1 . . . . . 283 Met CA . 27978 1 798 . 1 . 1 61 61 MET CB C 13 33.758 0.071 . 1 . . . . . 283 Met CB . 27978 1 799 . 1 . 1 61 61 MET CG C 13 31.878 0.081 . 1 . . . . . 283 Met CG . 27978 1 800 . 1 . 1 61 61 MET CE C 13 16.127 0.070 . 1 . . . . . 283 Met CE . 27978 1 801 . 1 . 1 61 61 MET N N 15 118.465 0.063 . 1 . . . . . 283 Met N . 27978 1 802 . 1 . 1 62 62 LEU H H 1 8.138 0.008 . 1 . . . . . 284 Leu H . 27978 1 803 . 1 . 1 62 62 LEU HA H 1 3.785 0.006 . 1 . . . . . 284 Leu HA . 27978 1 804 . 1 . 1 62 62 LEU HB2 H 1 1.276 0.007 . 2 . . . . . 284 Leu HB2 . 27978 1 805 . 1 . 1 62 62 LEU HB3 H 1 1.607 0.007 . 2 . . . . . 284 Leu HB3 . 27978 1 806 . 1 . 1 62 62 LEU HG H 1 1.267 0.004 . 1 . . . . . 284 Leu HG . 27978 1 807 . 1 . 1 62 62 LEU HD11 H 1 0.453 0.006 . 2 . . . . . 284 Leu HD11 . 27978 1 808 . 1 . 1 62 62 LEU HD12 H 1 0.453 0.006 . 2 . . . . . 284 Leu HD12 . 27978 1 809 . 1 . 1 62 62 LEU HD13 H 1 0.453 0.006 . 2 . . . . . 284 Leu HD13 . 27978 1 810 . 1 . 1 62 62 LEU HD21 H 1 0.462 0.006 . 2 . . . . . 284 Leu HD21 . 27978 1 811 . 1 . 1 62 62 LEU HD22 H 1 0.462 0.006 . 2 . . . . . 284 Leu HD22 . 27978 1 812 . 1 . 1 62 62 LEU HD23 H 1 0.462 0.006 . 2 . . . . . 284 Leu HD23 . 27978 1 813 . 1 . 1 62 62 LEU C C 13 177.119 0.085 . 1 . . . . . 284 Leu C . 27978 1 814 . 1 . 1 62 62 LEU CA C 13 57.152 0.057 . 1 . . . . . 284 Leu CA . 27978 1 815 . 1 . 1 62 62 LEU CB C 13 42.246 0.067 . 1 . . . . . 284 Leu CB . 27978 1 816 . 1 . 1 62 62 LEU CG C 13 25.926 0.078 . 1 . . . . . 284 Leu CG . 27978 1 817 . 1 . 1 62 62 LEU CD1 C 13 24.032 0.059 . 2 . . . . . 284 Leu CD1 . 27978 1 818 . 1 . 1 62 62 LEU CD2 C 13 25.955 0.059 . 2 . . . . . 284 Leu CD2 . 27978 1 819 . 1 . 1 62 62 LEU N N 15 119.772 0.067 . 1 . . . . . 284 Leu N . 27978 1 820 . 1 . 1 63 63 ASN H H 1 7.416 0.010 . 1 . . . . . 285 Asn H . 27978 1 821 . 1 . 1 63 63 ASN HA H 1 4.614 0.007 . 1 . . . . . 285 Asn HA . 27978 1 822 . 1 . 1 63 63 ASN HB2 H 1 2.877 0.008 . 2 . . . . . 285 Asn HB2 . 27978 1 823 . 1 . 1 63 63 ASN HB3 H 1 2.638 0.012 . 2 . . . . . 285 Asn HB3 . 27978 1 824 . 1 . 1 63 63 ASN HD21 H 1 7.464 0.006 . 1 . . . . . 285 Asn HD21 . 27978 1 825 . 1 . 1 63 63 ASN HD22 H 1 6.858 0.008 . 1 . . . . . 285 Asn HD22 . 27978 1 826 . 1 . 1 63 63 ASN C C 13 175.111 0.067 . 1 . . . . . 285 Asn C . 27978 1 827 . 1 . 1 63 63 ASN CA C 13 53.431 0.083 . 1 . . . . . 285 Asn CA . 27978 1 828 . 1 . 1 63 63 ASN CB C 13 40.118 0.076 . 1 . . . . . 285 Asn CB . 27978 1 829 . 1 . 1 63 63 ASN N N 15 113.893 0.069 . 1 . . . . . 285 Asn N . 27978 1 830 . 1 . 1 63 63 ASN ND2 N 15 112.693 0.087 . 1 . . . . . 285 Asn ND2 . 27978 1 831 . 1 . 1 64 64 GLU H H 1 7.330 0.007 . 1 . . . . . 286 Glu H . 27978 1 832 . 1 . 1 64 64 GLU HA H 1 4.457 0.011 . 1 . . . . . 286 Glu HA . 27978 1 833 . 1 . 1 64 64 GLU HB2 H 1 2.043 0.008 . 1 . . . . . 286 Glu HB2 . 27978 1 834 . 1 . 1 64 64 GLU HG2 H 1 2.582 0.009 . 2 . . . . . 286 Glu HG2 . 27978 1 835 . 1 . 1 64 64 GLU HG3 H 1 2.370 0.005 . 2 . . . . . 286 Glu HG3 . 27978 1 836 . 1 . 1 64 64 GLU C C 13 174.342 0.000 . 1 . . . . . 286 Glu C . 27978 1 837 . 1 . 1 64 64 GLU CA C 13 55.241 0.115 . 1 . . . . . 286 Glu CA . 27978 1 838 . 1 . 1 64 64 GLU CB C 13 29.464 0.043 . 1 . . . . . 286 Glu CB . 27978 1 839 . 1 . 1 64 64 GLU CG C 13 36.060 0.089 . 1 . . . . . 286 Glu CG . 27978 1 840 . 1 . 1 64 64 GLU N N 15 122.725 0.038 . 1 . . . . . 286 Glu N . 27978 1 841 . 1 . 1 65 65 PRO HA H 1 4.739 0.009 . 1 . . . . . 287 Pro HA . 27978 1 842 . 1 . 1 65 65 PRO HB2 H 1 1.926 0.006 . 2 . . . . . 287 Pro HB2 . 27978 1 843 . 1 . 1 65 65 PRO HB3 H 1 2.377 0.005 . 2 . . . . . 287 Pro HB3 . 27978 1 844 . 1 . 1 65 65 PRO HG2 H 1 2.067 0.003 . 1 . . . . . 287 Pro HG2 . 27978 1 845 . 1 . 1 65 65 PRO HD2 H 1 3.927 0.009 . 2 . . . . . 287 Pro HD2 . 27978 1 846 . 1 . 1 65 65 PRO HD3 H 1 3.671 0.007 . 2 . . . . . 287 Pro HD3 . 27978 1 847 . 1 . 1 65 65 PRO CA C 13 61.642 0.029 . 1 . . . . . 287 Pro CA . 27978 1 848 . 1 . 1 65 65 PRO CB C 13 30.996 0.129 . 1 . . . . . 287 Pro CB . 27978 1 849 . 1 . 1 65 65 PRO CG C 13 27.463 0.058 . 1 . . . . . 287 Pro CG . 27978 1 850 . 1 . 1 65 65 PRO CD C 13 50.712 0.061 . 1 . . . . . 287 Pro CD . 27978 1 851 . 1 . 1 66 66 PRO HA H 1 4.409 0.004 . 1 . . . . . 288 Pro HA . 27978 1 852 . 1 . 1 66 66 PRO HB2 H 1 2.273 0.009 . 2 . . . . . 288 Pro HB2 . 27978 1 853 . 1 . 1 66 66 PRO HB3 H 1 1.994 0.009 . 2 . . . . . 288 Pro HB3 . 27978 1 854 . 1 . 1 66 66 PRO HG2 H 1 2.002 0.009 . 2 . . . . . 288 Pro HG2 . 27978 1 855 . 1 . 1 66 66 PRO HG3 H 1 2.058 0.008 . 2 . . . . . 288 Pro HG3 . 27978 1 856 . 1 . 1 66 66 PRO HD2 H 1 4.157 0.008 . 2 . . . . . 288 Pro HD2 . 27978 1 857 . 1 . 1 66 66 PRO HD3 H 1 3.983 0.012 . 2 . . . . . 288 Pro HD3 . 27978 1 858 . 1 . 1 66 66 PRO C C 13 177.375 0.065 . 1 . . . . . 288 Pro C . 27978 1 859 . 1 . 1 66 66 PRO CA C 13 63.127 0.072 . 1 . . . . . 288 Pro CA . 27978 1 860 . 1 . 1 66 66 PRO CB C 13 32.121 0.081 . 1 . . . . . 288 Pro CB . 27978 1 861 . 1 . 1 66 66 PRO CG C 13 27.385 0.069 . 1 . . . . . 288 Pro CG . 27978 1 862 . 1 . 1 66 66 PRO CD C 13 51.161 0.084 . 1 . . . . . 288 Pro CD . 27978 1 863 . 1 . 1 67 67 GLY H H 1 8.347 0.005 . 1 . . . . . 289 Gly H . 27978 1 864 . 1 . 1 67 67 GLY HA2 H 1 3.867 0.004 . 2 . . . . . 289 Gly HA2 . 27978 1 865 . 1 . 1 67 67 GLY HA3 H 1 4.020 0.006 . 2 . . . . . 289 Gly HA3 . 27978 1 866 . 1 . 1 67 67 GLY C C 13 173.950 0.008 . 1 . . . . . 289 Gly C . 27978 1 867 . 1 . 1 67 67 GLY CA C 13 45.133 0.048 . 1 . . . . . 289 Gly CA . 27978 1 868 . 1 . 1 67 67 GLY N N 15 108.878 0.061 . 1 . . . . . 289 Gly N . 27978 1 869 . 1 . 1 68 68 GLU H H 1 8.356 0.003 . 1 . . . . . 290 Glu H . 27978 1 870 . 1 . 1 68 68 GLU HA H 1 4.293 0.004 . 1 . . . . . 290 Glu HA . 27978 1 871 . 1 . 1 68 68 GLU HB2 H 1 1.925 0.010 . 2 . . . . . 290 Glu HB2 . 27978 1 872 . 1 . 1 68 68 GLU HB3 H 1 2.043 0.011 . 2 . . . . . 290 Glu HB3 . 27978 1 873 . 1 . 1 68 68 GLU HG3 H 1 2.250 0.007 . 1 . . . . . 290 Glu HG3 . 27978 1 874 . 1 . 1 68 68 GLU C C 13 176.411 0.086 . 1 . . . . . 290 Glu C . 27978 1 875 . 1 . 1 68 68 GLU CA C 13 56.517 0.032 . 1 . . . . . 290 Glu CA . 27978 1 876 . 1 . 1 68 68 GLU CB C 13 30.455 0.029 . 1 . . . . . 290 Glu CB . 27978 1 877 . 1 . 1 68 68 GLU CG C 13 36.311 0.049 . 1 . . . . . 290 Glu CG . 27978 1 878 . 1 . 1 68 68 GLU N N 15 120.610 0.066 . 1 . . . . . 290 Glu N . 27978 1 879 . 1 . 1 69 69 LEU H H 1 8.340 0.004 . 1 . . . . . 291 Leu H . 27978 1 880 . 1 . 1 69 69 LEU HA H 1 4.358 0.006 . 1 . . . . . 291 Leu HA . 27978 1 881 . 1 . 1 69 69 LEU HB2 H 1 1.640 0.002 . 2 . . . . . 291 Leu HB2 . 27978 1 882 . 1 . 1 69 69 LEU HB3 H 1 1.601 0.007 . 2 . . . . . 291 Leu HB3 . 27978 1 883 . 1 . 1 69 69 LEU HG H 1 1.636 0.005 . 1 . . . . . 291 Leu HG . 27978 1 884 . 1 . 1 69 69 LEU HD11 H 1 0.889 0.007 . 2 . . . . . 291 Leu HD11 . 27978 1 885 . 1 . 1 69 69 LEU HD12 H 1 0.889 0.007 . 2 . . . . . 291 Leu HD12 . 27978 1 886 . 1 . 1 69 69 LEU HD13 H 1 0.889 0.007 . 2 . . . . . 291 Leu HD13 . 27978 1 887 . 1 . 1 69 69 LEU HD21 H 1 0.927 0.004 . 2 . . . . . 291 Leu HD21 . 27978 1 888 . 1 . 1 69 69 LEU HD22 H 1 0.927 0.004 . 2 . . . . . 291 Leu HD22 . 27978 1 889 . 1 . 1 69 69 LEU HD23 H 1 0.927 0.004 . 2 . . . . . 291 Leu HD23 . 27978 1 890 . 1 . 1 69 69 LEU C C 13 176.997 0.000 . 1 . . . . . 291 Leu C . 27978 1 891 . 1 . 1 69 69 LEU CA C 13 55.035 0.054 . 1 . . . . . 291 Leu CA . 27978 1 892 . 1 . 1 69 69 LEU CB C 13 42.374 0.067 . 1 . . . . . 291 Leu CB . 27978 1 893 . 1 . 1 69 69 LEU CG C 13 26.959 0.182 . 1 . . . . . 291 Leu CG . 27978 1 894 . 1 . 1 69 69 LEU CD1 C 13 23.554 0.017 . 2 . . . . . 291 Leu CD1 . 27978 1 895 . 1 . 1 69 69 LEU CD2 C 13 25.054 0.012 . 2 . . . . . 291 Leu CD2 . 27978 1 896 . 1 . 1 69 69 LEU N N 15 123.657 0.040 . 1 . . . . . 291 Leu N . 27978 1 897 . 1 . 1 70 70 ALA H H 1 8.256 0.003 . 1 . . . . . 292 Ala H . 27978 1 898 . 1 . 1 70 70 ALA HA H 1 4.312 0.005 . 1 . . . . . 292 Ala HA . 27978 1 899 . 1 . 1 70 70 ALA HB1 H 1 1.377 0.006 . 1 . . . . . 292 Ala HB1 . 27978 1 900 . 1 . 1 70 70 ALA HB2 H 1 1.377 0.006 . 1 . . . . . 292 Ala HB2 . 27978 1 901 . 1 . 1 70 70 ALA HB3 H 1 1.377 0.006 . 1 . . . . . 292 Ala HB3 . 27978 1 902 . 1 . 1 70 70 ALA C C 13 177.238 0.000 . 1 . . . . . 292 Ala C . 27978 1 903 . 1 . 1 70 70 ALA CA C 13 52.417 0.049 . 1 . . . . . 292 Ala CA . 27978 1 904 . 1 . 1 70 70 ALA CB C 13 19.563 0.052 . 1 . . . . . 292 Ala CB . 27978 1 905 . 1 . 1 70 70 ALA N N 15 125.029 0.017 . 1 . . . . . 292 Ala N . 27978 1 906 . 1 . 1 71 71 ASP H H 1 8.310 0.003 . 1 . . . . . 293 Asp H . 27978 1 907 . 1 . 1 71 71 ASP HA H 1 4.615 0.006 . 1 . . . . . 293 Asp HA . 27978 1 908 . 1 . 1 71 71 ASP HB2 H 1 2.721 0.005 . 2 . . . . . 293 Asp HB2 . 27978 1 909 . 1 . 1 71 71 ASP HB3 H 1 2.581 0.006 . 2 . . . . . 293 Asp HB3 . 27978 1 910 . 1 . 1 71 71 ASP C C 13 176.253 0.000 . 1 . . . . . 293 Asp C . 27978 1 911 . 1 . 1 71 71 ASP CA C 13 54.321 0.031 . 1 . . . . . 293 Asp CA . 27978 1 912 . 1 . 1 71 71 ASP CB C 13 41.289 0.085 . 1 . . . . . 293 Asp CB . 27978 1 913 . 1 . 1 71 71 ASP N N 15 120.030 0.032 . 1 . . . . . 293 Asp N . 27978 1 914 . 1 . 1 72 72 ILE H H 1 8.101 0.004 . 1 . . . . . 294 Ile H . 27978 1 915 . 1 . 1 72 72 ILE HA H 1 4.260 0.004 . 1 . . . . . 294 Ile HA . 27978 1 916 . 1 . 1 72 72 ILE HB H 1 1.928 0.006 . 1 . . . . . 294 Ile HB . 27978 1 917 . 1 . 1 72 72 ILE HG12 H 1 1.198 0.006 . 2 . . . . . 294 Ile HG12 . 27978 1 918 . 1 . 1 72 72 ILE HG13 H 1 1.444 0.007 . 2 . . . . . 294 Ile HG13 . 27978 1 919 . 1 . 1 72 72 ILE HG21 H 1 0.918 0.008 . 1 . . . . . 294 Ile HG21 . 27978 1 920 . 1 . 1 72 72 ILE HG22 H 1 0.918 0.008 . 1 . . . . . 294 Ile HG22 . 27978 1 921 . 1 . 1 72 72 ILE HG23 H 1 0.918 0.008 . 1 . . . . . 294 Ile HG23 . 27978 1 922 . 1 . 1 72 72 ILE HD11 H 1 0.876 0.005 . 1 . . . . . 294 Ile HD11 . 27978 1 923 . 1 . 1 72 72 ILE HD12 H 1 0.876 0.005 . 1 . . . . . 294 Ile HD12 . 27978 1 924 . 1 . 1 72 72 ILE HD13 H 1 0.876 0.005 . 1 . . . . . 294 Ile HD13 . 27978 1 925 . 1 . 1 72 72 ILE C C 13 176.309 0.000 . 1 . . . . . 294 Ile C . 27978 1 926 . 1 . 1 72 72 ILE CA C 13 61.087 0.060 . 1 . . . . . 294 Ile CA . 27978 1 927 . 1 . 1 72 72 ILE CB C 13 38.822 0.075 . 1 . . . . . 294 Ile CB . 27978 1 928 . 1 . 1 72 72 ILE CG1 C 13 27.154 0.069 . 1 . . . . . 294 Ile CG1 . 27978 1 929 . 1 . 1 72 72 ILE CG2 C 13 17.735 0.045 . 1 . . . . . 294 Ile CG2 . 27978 1 930 . 1 . 1 72 72 ILE CD1 C 13 13.232 0.063 . 1 . . . . . 294 Ile CD1 . 27978 1 931 . 1 . 1 72 72 ILE N N 15 121.064 0.034 . 1 . . . . . 294 Ile N . 27978 1 932 . 1 . 1 73 73 SER H H 1 8.422 0.003 . 1 . . . . . 295 Ser H . 27978 1 933 . 1 . 1 73 73 SER HA H 1 4.465 0.007 . 1 . . . . . 295 Ser HA . 27978 1 934 . 1 . 1 73 73 SER HB3 H 1 3.865 0.005 . 1 . . . . . 295 Ser HB3 . 27978 1 935 . 1 . 1 73 73 SER C C 13 174.248 0.000 . 1 . . . . . 295 Ser C . 27978 1 936 . 1 . 1 73 73 SER CA C 13 58.568 0.078 . 1 . . . . . 295 Ser CA . 27978 1 937 . 1 . 1 73 73 SER CB C 13 64.037 0.061 . 1 . . . . . 295 Ser CB . 27978 1 938 . 1 . 1 73 73 SER N N 15 119.861 0.042 . 1 . . . . . 295 Ser N . 27978 1 939 . 1 . 1 74 74 ASP H H 1 8.386 0.004 . 1 . . . . . 296 Asp H . 27978 1 940 . 1 . 1 74 74 ASP HA H 1 4.665 0.005 . 1 . . . . . 296 Asp HA . 27978 1 941 . 1 . 1 74 74 ASP HB2 H 1 2.640 0.010 . 2 . . . . . 296 Asp HB2 . 27978 1 942 . 1 . 1 74 74 ASP HB3 H 1 2.704 0.016 . 2 . . . . . 296 Asp HB3 . 27978 1 943 . 1 . 1 74 74 ASP C C 13 176.231 0.000 . 1 . . . . . 296 Asp C . 27978 1 944 . 1 . 1 74 74 ASP CA C 13 54.385 0.119 . 1 . . . . . 296 Asp CA . 27978 1 945 . 1 . 1 74 74 ASP CB C 13 41.199 0.092 . 1 . . . . . 296 Asp CB . 27978 1 946 . 1 . 1 74 74 ASP N N 15 122.938 0.015 . 1 . . . . . 296 Asp N . 27978 1 947 . 1 . 1 75 75 VAL H H 1 8.056 0.006 . 1 . . . . . 297 Val H . 27978 1 948 . 1 . 1 75 75 VAL HA H 1 4.123 0.006 . 1 . . . . . 297 Val HA . 27978 1 949 . 1 . 1 75 75 VAL HB H 1 2.101 0.006 . 1 . . . . . 297 Val HB . 27978 1 950 . 1 . 1 75 75 VAL HG11 H 1 0.948 0.014 . 2 . . . . . 297 Val HG11 . 27978 1 951 . 1 . 1 75 75 VAL HG12 H 1 0.948 0.014 . 2 . . . . . 297 Val HG12 . 27978 1 952 . 1 . 1 75 75 VAL HG13 H 1 0.948 0.014 . 2 . . . . . 297 Val HG13 . 27978 1 953 . 1 . 1 75 75 VAL HG21 H 1 0.931 0.007 . 2 . . . . . 297 Val HG21 . 27978 1 954 . 1 . 1 75 75 VAL HG22 H 1 0.931 0.007 . 2 . . . . . 297 Val HG22 . 27978 1 955 . 1 . 1 75 75 VAL HG23 H 1 0.931 0.007 . 2 . . . . . 297 Val HG23 . 27978 1 956 . 1 . 1 75 75 VAL C C 13 176.362 0.000 . 1 . . . . . 297 Val C . 27978 1 957 . 1 . 1 75 75 VAL CA C 13 62.493 0.052 . 1 . . . . . 297 Val CA . 27978 1 958 . 1 . 1 75 75 VAL CB C 13 32.798 0.073 . 1 . . . . . 297 Val CB . 27978 1 959 . 1 . 1 75 75 VAL CG1 C 13 21.253 0.096 . 2 . . . . . 297 Val CG1 . 27978 1 960 . 1 . 1 75 75 VAL CG2 C 13 20.665 0.098 . 2 . . . . . 297 Val CG2 . 27978 1 961 . 1 . 1 75 75 VAL N N 15 119.810 0.036 . 1 . . . . . 297 Val N . 27978 1 962 . 1 . 1 76 76 GLU H H 1 8.468 0.003 . 1 . . . . . 298 Glu H . 27978 1 963 . 1 . 1 76 76 GLU HA H 1 4.277 0.018 . 1 . . . . . 298 Glu HA . 27978 1 964 . 1 . 1 76 76 GLU HB2 H 1 1.983 0.005 . 2 . . . . . 298 Glu HB2 . 27978 1 965 . 1 . 1 76 76 GLU HB3 H 1 2.076 0.010 . 2 . . . . . 298 Glu HB3 . 27978 1 966 . 1 . 1 76 76 GLU HG3 H 1 2.276 0.008 . 1 . . . . . 298 Glu HG3 . 27978 1 967 . 1 . 1 76 76 GLU C C 13 177.002 0.021 . 1 . . . . . 298 Glu C . 27978 1 968 . 1 . 1 76 76 GLU CA C 13 56.930 0.071 . 1 . . . . . 298 Glu CA . 27978 1 969 . 1 . 1 76 76 GLU CB C 13 30.360 0.048 . 1 . . . . . 298 Glu CB . 27978 1 970 . 1 . 1 76 76 GLU CG C 13 36.442 0.048 . 1 . . . . . 298 Glu CG . 27978 1 971 . 1 . 1 76 76 GLU N N 15 124.584 0.025 . 1 . . . . . 298 Glu N . 27978 1 972 . 1 . 1 77 77 GLY H H 1 8.352 0.003 . 1 . . . . . 299 Gly H . 27978 1 973 . 1 . 1 77 77 GLY HA2 H 1 3.947 0.012 . 2 . . . . . 299 Gly HA2 . 27978 1 974 . 1 . 1 77 77 GLY HA3 H 1 4.003 0.006 . 2 . . . . . 299 Gly HA3 . 27978 1 975 . 1 . 1 77 77 GLY C C 13 173.929 0.016 . 1 . . . . . 299 Gly C . 27978 1 976 . 1 . 1 77 77 GLY CA C 13 45.218 0.007 . 1 . . . . . 299 Gly CA . 27978 1 977 . 1 . 1 77 77 GLY N N 15 110.020 0.029 . 1 . . . . . 299 Gly N . 27978 1 978 . 1 . 1 78 78 GLU H H 1 8.261 0.005 . 1 . . . . . 300 Glu H . 27978 1 979 . 1 . 1 78 78 GLU HA H 1 4.348 0.009 . 1 . . . . . 300 Glu HA . 27978 1 980 . 1 . 1 78 78 GLU HB2 H 1 2.060 0.015 . 2 . . . . . 300 Glu HB2 . 27978 1 981 . 1 . 1 78 78 GLU HB3 H 1 1.931 0.008 . 2 . . . . . 300 Glu HB3 . 27978 1 982 . 1 . 1 78 78 GLU HG3 H 1 2.253 0.013 . 1 . . . . . 300 Glu HG3 . 27978 1 983 . 1 . 1 78 78 GLU C C 13 176.798 0.000 . 1 . . . . . 300 Glu C . 27978 1 984 . 1 . 1 78 78 GLU CA C 13 56.395 0.080 . 1 . . . . . 300 Glu CA . 27978 1 985 . 1 . 1 78 78 GLU CB C 13 30.356 0.044 . 1 . . . . . 300 Glu CB . 27978 1 986 . 1 . 1 78 78 GLU CG C 13 36.365 0.024 . 1 . . . . . 300 Glu CG . 27978 1 987 . 1 . 1 78 78 GLU N N 15 120.800 0.043 . 1 . . . . . 300 Glu N . 27978 1 988 . 1 . 1 79 79 VAL H H 1 8.297 0.005 . 1 . . . . . 301 Val H . 27978 1 989 . 1 . 1 79 79 VAL HA H 1 4.115 0.004 . 1 . . . . . 301 Val HA . 27978 1 990 . 1 . 1 79 79 VAL HB H 1 2.101 0.007 . 1 . . . . . 301 Val HB . 27978 1 991 . 1 . 1 79 79 VAL HG11 H 1 0.966 0.006 . 2 . . . . . 301 Val HG11 . 27978 1 992 . 1 . 1 79 79 VAL HG12 H 1 0.966 0.006 . 2 . . . . . 301 Val HG12 . 27978 1 993 . 1 . 1 79 79 VAL HG13 H 1 0.966 0.006 . 2 . . . . . 301 Val HG13 . 27978 1 994 . 1 . 1 79 79 VAL HG21 H 1 0.952 0.002 . 2 . . . . . 301 Val HG21 . 27978 1 995 . 1 . 1 79 79 VAL HG22 H 1 0.952 0.002 . 2 . . . . . 301 Val HG22 . 27978 1 996 . 1 . 1 79 79 VAL HG23 H 1 0.952 0.002 . 2 . . . . . 301 Val HG23 . 27978 1 997 . 1 . 1 79 79 VAL C C 13 176.822 0.000 . 1 . . . . . 301 Val C . 27978 1 998 . 1 . 1 79 79 VAL CA C 13 62.678 0.091 . 1 . . . . . 301 Val CA . 27978 1 999 . 1 . 1 79 79 VAL CB C 13 32.639 0.041 . 1 . . . . . 301 Val CB . 27978 1 1000 . 1 . 1 79 79 VAL CG1 C 13 20.660 0.062 . 2 . . . . . 301 Val CG1 . 27978 1 1001 . 1 . 1 79 79 VAL CG2 C 13 21.145 0.000 . 2 . . . . . 301 Val CG2 . 27978 1 1002 . 1 . 1 79 79 VAL N N 15 121.746 0.043 . 1 . . . . . 301 Val N . 27978 1 1003 . 1 . 1 80 80 GLY H H 1 8.483 0.006 . 1 . . . . . 302 Gly H . 27978 1 1004 . 1 . 1 80 80 GLY HA2 H 1 3.909 0.004 . 2 . . . . . 302 Gly HA2 . 27978 1 1005 . 1 . 1 80 80 GLY HA3 H 1 3.996 0.007 . 2 . . . . . 302 Gly HA3 . 27978 1 1006 . 1 . 1 80 80 GLY C C 13 173.681 0.024 . 1 . . . . . 302 Gly C . 27978 1 1007 . 1 . 1 80 80 GLY CA C 13 45.169 0.037 . 1 . . . . . 302 Gly CA . 27978 1 1008 . 1 . 1 80 80 GLY N N 15 112.502 0.049 . 1 . . . . . 302 Gly N . 27978 1 1009 . 1 . 1 81 81 ALA H H 1 8.144 0.004 . 1 . . . . . 303 Ala H . 27978 1 1010 . 1 . 1 81 81 ALA HA H 1 4.368 0.007 . 1 . . . . . 303 Ala HA . 27978 1 1011 . 1 . 1 81 81 ALA HB1 H 1 1.370 0.007 . 1 . . . . . 303 Ala HB1 . 27978 1 1012 . 1 . 1 81 81 ALA HB2 H 1 1.370 0.007 . 1 . . . . . 303 Ala HB2 . 27978 1 1013 . 1 . 1 81 81 ALA HB3 H 1 1.370 0.007 . 1 . . . . . 303 Ala HB3 . 27978 1 1014 . 1 . 1 81 81 ALA C C 13 177.815 0.030 . 1 . . . . . 303 Ala C . 27978 1 1015 . 1 . 1 81 81 ALA CA C 13 52.309 0.059 . 1 . . . . . 303 Ala CA . 27978 1 1016 . 1 . 1 81 81 ALA CB C 13 19.412 0.052 . 1 . . . . . 303 Ala CB . 27978 1 1017 . 1 . 1 81 81 ALA N N 15 124.047 0.015 . 1 . . . . . 303 Ala N . 27978 1 1018 . 1 . 1 82 82 ILE H H 1 8.209 0.005 . 1 . . . . . 304 Ile H . 27978 1 1019 . 1 . 1 82 82 ILE HA H 1 4.184 0.006 . 1 . . . . . 304 Ile HA . 27978 1 1020 . 1 . 1 82 82 ILE HB H 1 1.883 0.007 . 1 . . . . . 304 Ile HB . 27978 1 1021 . 1 . 1 82 82 ILE HG12 H 1 1.208 0.007 . 2 . . . . . 304 Ile HG12 . 27978 1 1022 . 1 . 1 82 82 ILE HG13 H 1 1.505 0.005 . 2 . . . . . 304 Ile HG13 . 27978 1 1023 . 1 . 1 82 82 ILE HG21 H 1 0.929 0.009 . 1 . . . . . 304 Ile HG21 . 27978 1 1024 . 1 . 1 82 82 ILE HG22 H 1 0.929 0.009 . 1 . . . . . 304 Ile HG22 . 27978 1 1025 . 1 . 1 82 82 ILE HG23 H 1 0.929 0.009 . 1 . . . . . 304 Ile HG23 . 27978 1 1026 . 1 . 1 82 82 ILE HD11 H 1 0.869 0.000 . 1 . . . . . 304 Ile HD11 . 27978 1 1027 . 1 . 1 82 82 ILE HD12 H 1 0.869 0.000 . 1 . . . . . 304 Ile HD12 . 27978 1 1028 . 1 . 1 82 82 ILE HD13 H 1 0.869 0.000 . 1 . . . . . 304 Ile HD13 . 27978 1 1029 . 1 . 1 82 82 ILE C C 13 176.865 0.000 . 1 . . . . . 304 Ile C . 27978 1 1030 . 1 . 1 82 82 ILE CA C 13 61.293 0.095 . 1 . . . . . 304 Ile CA . 27978 1 1031 . 1 . 1 82 82 ILE CB C 13 38.838 0.056 . 1 . . . . . 304 Ile CB . 27978 1 1032 . 1 . 1 82 82 ILE CG1 C 13 27.348 0.026 . 1 . . . . . 304 Ile CG1 . 27978 1 1033 . 1 . 1 82 82 ILE CG2 C 13 17.569 0.036 . 1 . . . . . 304 Ile CG2 . 27978 1 1034 . 1 . 1 82 82 ILE CD1 C 13 13.044 0.099 . 1 . . . . . 304 Ile CD1 . 27978 1 1035 . 1 . 1 82 82 ILE N N 15 120.508 0.053 . 1 . . . . . 304 Ile N . 27978 1 1036 . 1 . 1 83 83 GLY H H 1 8.476 0.003 . 1 . . . . . 305 Gly H . 27978 1 1037 . 1 . 1 83 83 GLY HA3 H 1 3.958 0.004 . 1 . . . . . 305 Gly HA3 . 27978 1 1038 . 1 . 1 83 83 GLY C C 13 173.973 0.010 . 1 . . . . . 305 Gly C . 27978 1 1039 . 1 . 1 83 83 GLY CA C 13 45.242 0.038 . 1 . . . . . 305 Gly CA . 27978 1 1040 . 1 . 1 83 83 GLY N N 15 113.033 0.064 . 1 . . . . . 305 Gly N . 27978 1 1041 . 1 . 1 84 84 GLU H H 1 8.263 0.006 . 1 . . . . . 306 Glu H . 27978 1 1042 . 1 . 1 84 84 GLU HA H 1 4.312 0.007 . 1 . . . . . 306 Glu HA . 27978 1 1043 . 1 . 1 84 84 GLU HB2 H 1 2.050 0.007 . 2 . . . . . 306 Glu HB2 . 27978 1 1044 . 1 . 1 84 84 GLU HB3 H 1 1.911 0.008 . 2 . . . . . 306 Glu HB3 . 27978 1 1045 . 1 . 1 84 84 GLU HG3 H 1 2.245 0.006 . 1 . . . . . 306 Glu HG3 . 27978 1 1046 . 1 . 1 84 84 GLU C C 13 176.444 0.000 . 1 . . . . . 306 Glu C . 27978 1 1047 . 1 . 1 84 84 GLU CA C 13 56.397 0.056 . 1 . . . . . 306 Glu CA . 27978 1 1048 . 1 . 1 84 84 GLU CB C 13 30.655 0.112 . 1 . . . . . 306 Glu CB . 27978 1 1049 . 1 . 1 84 84 GLU CG C 13 36.221 0.105 . 1 . . . . . 306 Glu CG . 27978 1 1050 . 1 . 1 84 84 GLU N N 15 120.816 0.045 . 1 . . . . . 306 Glu N . 27978 1 1051 . 1 . 1 85 85 GLU H H 1 8.508 0.009 . 1 . . . . . 307 Glu H . 27978 1 1052 . 1 . 1 85 85 GLU HA H 1 4.281 0.008 . 1 . . . . . 307 Glu HA . 27978 1 1053 . 1 . 1 85 85 GLU HB2 H 1 2.050 0.010 . 2 . . . . . 307 Glu HB2 . 27978 1 1054 . 1 . 1 85 85 GLU HB3 H 1 1.933 0.004 . 2 . . . . . 307 Glu HB3 . 27978 1 1055 . 1 . 1 85 85 GLU HG3 H 1 2.262 0.009 . 1 . . . . . 307 Glu HG3 . 27978 1 1056 . 1 . 1 85 85 GLU C C 13 175.925 0.039 . 1 . . . . . 307 Glu C . 27978 1 1057 . 1 . 1 85 85 GLU CA C 13 56.408 0.073 . 1 . . . . . 307 Glu CA . 27978 1 1058 . 1 . 1 85 85 GLU CB C 13 30.474 0.055 . 1 . . . . . 307 Glu CB . 27978 1 1059 . 1 . 1 85 85 GLU CG C 13 36.445 0.012 . 1 . . . . . 307 Glu CG . 27978 1 1060 . 1 . 1 85 85 GLU N N 15 122.361 0.047 . 1 . . . . . 307 Glu N . 27978 1 1061 . 1 . 1 86 86 ALA H H 1 8.383 0.008 . 1 . . . . . 308 Ala H . 27978 1 1062 . 1 . 1 86 86 ALA HA H 1 4.590 0.009 . 1 . . . . . 308 Ala HA . 27978 1 1063 . 1 . 1 86 86 ALA HB1 H 1 1.363 0.005 . 1 . . . . . 308 Ala HB1 . 27978 1 1064 . 1 . 1 86 86 ALA HB2 H 1 1.363 0.005 . 1 . . . . . 308 Ala HB2 . 27978 1 1065 . 1 . 1 86 86 ALA HB3 H 1 1.363 0.005 . 1 . . . . . 308 Ala HB3 . 27978 1 1066 . 1 . 1 86 86 ALA C C 13 175.462 0.000 . 1 . . . . . 308 Ala C . 27978 1 1067 . 1 . 1 86 86 ALA CA C 13 50.555 0.063 . 1 . . . . . 308 Ala CA . 27978 1 1068 . 1 . 1 86 86 ALA CB C 13 18.169 0.093 . 1 . . . . . 308 Ala CB . 27978 1 1069 . 1 . 1 86 86 ALA N N 15 126.841 0.063 . 1 . . . . . 308 Ala N . 27978 1 1070 . 1 . 1 87 87 PRO HA H 1 4.412 0.006 . 1 . . . . . 309 Pro HA . 27978 1 1071 . 1 . 1 87 87 PRO HB2 H 1 1.876 0.006 . 2 . . . . . 309 Pro HB2 . 27978 1 1072 . 1 . 1 87 87 PRO HB3 H 1 2.285 0.005 . 2 . . . . . 309 Pro HB3 . 27978 1 1073 . 1 . 1 87 87 PRO HG2 H 1 2.024 0.008 . 1 . . . . . 309 Pro HG2 . 27978 1 1074 . 1 . 1 87 87 PRO HD2 H 1 3.803 0.008 . 2 . . . . . 309 Pro HD2 . 27978 1 1075 . 1 . 1 87 87 PRO HD3 H 1 3.645 0.006 . 2 . . . . . 309 Pro HD3 . 27978 1 1076 . 1 . 1 87 87 PRO C C 13 176.954 0.016 . 1 . . . . . 309 Pro C . 27978 1 1077 . 1 . 1 87 87 PRO CA C 13 63.114 0.078 . 1 . . . . . 309 Pro CA . 27978 1 1078 . 1 . 1 87 87 PRO CB C 13 32.088 0.060 . 1 . . . . . 309 Pro CB . 27978 1 1079 . 1 . 1 87 87 PRO CG C 13 27.470 0.077 . 1 . . . . . 309 Pro CG . 27978 1 1080 . 1 . 1 87 87 PRO CD C 13 50.526 0.099 . 1 . . . . . 309 Pro CD . 27978 1 1081 . 1 . 1 88 88 GLN H H 1 8.480 0.008 . 1 . . . . . 310 Gln H . 27978 1 1082 . 1 . 1 88 88 GLN HA H 1 4.280 0.004 . 1 . . . . . 310 Gln HA . 27978 1 1083 . 1 . 1 88 88 GLN HB2 H 1 2.087 0.007 . 2 . . . . . 310 Gln HB2 . 27978 1 1084 . 1 . 1 88 88 GLN HB3 H 1 1.957 0.011 . 2 . . . . . 310 Gln HB3 . 27978 1 1085 . 1 . 1 88 88 GLN HG3 H 1 2.381 0.009 . 1 . . . . . 310 Gln HG3 . 27978 1 1086 . 1 . 1 88 88 GLN HE21 H 1 7.519 0.002 . 1 . . . . . 310 Gln HE21 . 27978 1 1087 . 1 . 1 88 88 GLN HE22 H 1 6.850 0.012 . 1 . . . . . 310 Gln HE22 . 27978 1 1088 . 1 . 1 88 88 GLN C C 13 176.218 0.020 . 1 . . . . . 310 Gln C . 27978 1 1089 . 1 . 1 88 88 GLN CA C 13 55.898 0.018 . 1 . . . . . 310 Gln CA . 27978 1 1090 . 1 . 1 88 88 GLN CB C 13 29.375 0.074 . 1 . . . . . 310 Gln CB . 27978 1 1091 . 1 . 1 88 88 GLN CG C 13 33.887 0.040 . 1 . . . . . 310 Gln CG . 27978 1 1092 . 1 . 1 88 88 GLN N N 15 120.499 0.076 . 1 . . . . . 310 Gln N . 27978 1 1093 . 1 . 1 88 88 GLN NE2 N 15 112.755 0.003 . 1 . . . . . 310 Gln NE2 . 27978 1 1094 . 1 . 1 89 89 MET H H 1 8.398 0.011 . 1 . . . . . 311 Met H . 27978 1 1095 . 1 . 1 89 89 MET HA H 1 4.398 0.002 . 1 . . . . . 311 Met HA . 27978 1 1096 . 1 . 1 89 89 MET HB2 H 1 1.929 0.002 . 1 . . . . . 311 Met HB2 . 27978 1 1097 . 1 . 1 89 89 MET HG2 H 1 2.518 0.003 . 2 . . . . . 311 Met HG2 . 27978 1 1098 . 1 . 1 89 89 MET HG3 H 1 2.467 0.003 . 2 . . . . . 311 Met HG3 . 27978 1 1099 . 1 . 1 89 89 MET C C 13 175.671 0.032 . 1 . . . . . 311 Met C . 27978 1 1100 . 1 . 1 89 89 MET CA C 13 55.728 0.000 . 1 . . . . . 311 Met CA . 27978 1 1101 . 1 . 1 89 89 MET CB C 13 32.496 0.075 . 1 . . . . . 311 Met CB . 27978 1 1102 . 1 . 1 89 89 MET CG C 13 32.102 0.028 . 1 . . . . . 311 Met CG . 27978 1 1103 . 1 . 1 89 89 MET N N 15 121.268 0.067 . 1 . . . . . 311 Met N . 27978 1 1104 . 1 . 1 90 90 ASN H H 1 8.346 0.006 . 1 . . . . . 312 Asn H . 27978 1 1105 . 1 . 1 90 90 ASN HA H 1 4.632 0.004 . 1 . . . . . 312 Asn HA . 27978 1 1106 . 1 . 1 90 90 ASN HB2 H 1 2.709 0.003 . 2 . . . . . 312 Asn HB2 . 27978 1 1107 . 1 . 1 90 90 ASN HB3 H 1 2.658 0.006 . 2 . . . . . 312 Asn HB3 . 27978 1 1108 . 1 . 1 90 90 ASN HD21 H 1 7.528 0.004 . 1 . . . . . 312 Asn HD21 . 27978 1 1109 . 1 . 1 90 90 ASN HD22 H 1 6.879 0.005 . 1 . . . . . 312 Asn HD22 . 27978 1 1110 . 1 . 1 90 90 ASN C C 13 174.654 0.026 . 1 . . . . . 312 Asn C . 27978 1 1111 . 1 . 1 90 90 ASN CA C 13 53.358 0.056 . 1 . . . . . 312 Asn CA . 27978 1 1112 . 1 . 1 90 90 ASN CB C 13 38.842 0.082 . 1 . . . . . 312 Asn CB . 27978 1 1113 . 1 . 1 90 90 ASN N N 15 119.348 0.066 . 1 . . . . . 312 Asn N . 27978 1 1114 . 1 . 1 90 90 ASN ND2 N 15 112.544 0.004 . 1 . . . . . 312 Asn ND2 . 27978 1 1115 . 1 . 1 91 91 TYR H H 1 8.036 0.008 . 1 . . . . . 313 Tyr H . 27978 1 1116 . 1 . 1 91 91 TYR HA H 1 4.546 0.009 . 1 . . . . . 313 Tyr HA . 27978 1 1117 . 1 . 1 91 91 TYR HB2 H 1 3.004 0.002 . 2 . . . . . 313 Tyr HB2 . 27978 1 1118 . 1 . 1 91 91 TYR HB3 H 1 2.916 0.004 . 2 . . . . . 313 Tyr HB3 . 27978 1 1119 . 1 . 1 91 91 TYR HD1 H 1 7.043 0.007 . 3 . . . . . 313 Tyr HD1 . 27978 1 1120 . 1 . 1 91 91 TYR HD2 H 1 7.043 0.007 . 3 . . . . . 313 Tyr HD2 . 27978 1 1121 . 1 . 1 91 91 TYR HE1 H 1 6.783 0.003 . 3 . . . . . 313 Tyr HE1 . 27978 1 1122 . 1 . 1 91 91 TYR HE2 H 1 6.783 0.003 . 3 . . . . . 313 Tyr HE2 . 27978 1 1123 . 1 . 1 91 91 TYR C C 13 175.389 0.051 . 1 . . . . . 313 Tyr C . 27978 1 1124 . 1 . 1 91 91 TYR CA C 13 57.793 0.013 . 1 . . . . . 313 Tyr CA . 27978 1 1125 . 1 . 1 91 91 TYR CB C 13 38.743 0.057 . 1 . . . . . 313 Tyr CB . 27978 1 1126 . 1 . 1 91 91 TYR CD1 C 13 133.043 0.027 . 3 . . . . . 313 Tyr CD1 . 27978 1 1127 . 1 . 1 91 91 TYR CD2 C 13 133.043 0.027 . 3 . . . . . 313 Tyr CD2 . 27978 1 1128 . 1 . 1 91 91 TYR CE1 C 13 118.151 0.037 . 3 . . . . . 313 Tyr CE1 . 27978 1 1129 . 1 . 1 91 91 TYR CE2 C 13 118.151 0.037 . 3 . . . . . 313 Tyr CE2 . 27978 1 1130 . 1 . 1 91 91 TYR N N 15 120.065 0.097 . 1 . . . . . 313 Tyr N . 27978 1 1131 . 1 . 1 92 92 ILE H H 1 7.811 0.006 . 1 . . . . . 314 Ile H . 27978 1 1132 . 1 . 1 92 92 ILE HA H 1 4.084 0.003 . 1 . . . . . 314 Ile HA . 27978 1 1133 . 1 . 1 92 92 ILE HB H 1 1.738 0.005 . 1 . . . . . 314 Ile HB . 27978 1 1134 . 1 . 1 92 92 ILE HG12 H 1 1.057 0.005 . 2 . . . . . 314 Ile HG12 . 27978 1 1135 . 1 . 1 92 92 ILE HG13 H 1 1.385 0.008 . 2 . . . . . 314 Ile HG13 . 27978 1 1136 . 1 . 1 92 92 ILE HG21 H 1 0.759 0.004 . 1 . . . . . 314 Ile HG21 . 27978 1 1137 . 1 . 1 92 92 ILE HG22 H 1 0.759 0.004 . 1 . . . . . 314 Ile HG22 . 27978 1 1138 . 1 . 1 92 92 ILE HG23 H 1 0.759 0.004 . 1 . . . . . 314 Ile HG23 . 27978 1 1139 . 1 . 1 92 92 ILE HD11 H 1 0.727 0.007 . 1 . . . . . 314 Ile HD11 . 27978 1 1140 . 1 . 1 92 92 ILE HD12 H 1 0.727 0.007 . 1 . . . . . 314 Ile HD12 . 27978 1 1141 . 1 . 1 92 92 ILE HD13 H 1 0.727 0.007 . 1 . . . . . 314 Ile HD13 . 27978 1 1142 . 1 . 1 92 92 ILE C C 13 175.258 0.000 . 1 . . . . . 314 Ile C . 27978 1 1143 . 1 . 1 92 92 ILE CA C 13 60.833 0.027 . 1 . . . . . 314 Ile CA . 27978 1 1144 . 1 . 1 92 92 ILE CB C 13 39.044 0.034 . 1 . . . . . 314 Ile CB . 27978 1 1145 . 1 . 1 92 92 ILE CG1 C 13 27.129 0.032 . 1 . . . . . 314 Ile CG1 . 27978 1 1146 . 1 . 1 92 92 ILE CG2 C 13 17.503 0.105 . 1 . . . . . 314 Ile CG2 . 27978 1 1147 . 1 . 1 92 92 ILE CD1 C 13 13.233 0.069 . 1 . . . . . 314 Ile CD1 . 27978 1 1148 . 1 . 1 92 92 ILE N N 15 121.327 0.050 . 1 . . . . . 314 Ile N . 27978 1 1149 . 1 . 1 93 93 GLN H H 1 8.322 0.007 . 1 . . . . . 315 Gln H . 27978 1 1150 . 1 . 1 93 93 GLN HA H 1 4.457 0.010 . 1 . . . . . 315 Gln HA . 27978 1 1151 . 1 . 1 93 93 GLN HB2 H 1 2.086 0.005 . 2 . . . . . 315 Gln HB2 . 27978 1 1152 . 1 . 1 93 93 GLN HB3 H 1 1.998 0.005 . 2 . . . . . 315 Gln HB3 . 27978 1 1153 . 1 . 1 93 93 GLN HG3 H 1 2.349 0.005 . 1 . . . . . 315 Gln HG3 . 27978 1 1154 . 1 . 1 93 93 GLN HE21 H 1 7.406 0.000 . 1 . . . . . 315 Gln HE21 . 27978 1 1155 . 1 . 1 93 93 GLN HE22 H 1 6.827 0.000 . 1 . . . . . 315 Gln HE22 . 27978 1 1156 . 1 . 1 93 93 GLN C C 13 175.378 0.000 . 1 . . . . . 315 Gln C . 27978 1 1157 . 1 . 1 93 93 GLN CA C 13 55.584 0.044 . 1 . . . . . 315 Gln CA . 27978 1 1158 . 1 . 1 93 93 GLN CB C 13 29.354 0.050 . 1 . . . . . 315 Gln CB . 27978 1 1159 . 1 . 1 93 93 GLN CG C 13 33.954 0.027 . 1 . . . . . 315 Gln CG . 27978 1 1160 . 1 . 1 93 93 GLN N N 15 124.607 0.052 . 1 . . . . . 315 Gln N . 27978 1 1161 . 1 . 1 93 93 GLN NE2 N 15 111.433 0.001 . 1 . . . . . 315 Gln NE2 . 27978 1 1162 . 1 . 1 94 94 VAL H H 1 8.073 0.014 . 1 . . . . . 316 Val H . 27978 1 1163 . 1 . 1 94 94 VAL HA H 1 4.845 0.011 . 1 . . . . . 316 Val HA . 27978 1 1164 . 1 . 1 94 94 VAL HB H 1 2.505 0.008 . 1 . . . . . 316 Val HB . 27978 1 1165 . 1 . 1 94 94 VAL HG11 H 1 0.916 0.008 . 2 . . . . . 316 Val HG11 . 27978 1 1166 . 1 . 1 94 94 VAL HG12 H 1 0.916 0.008 . 2 . . . . . 316 Val HG12 . 27978 1 1167 . 1 . 1 94 94 VAL HG13 H 1 0.916 0.008 . 2 . . . . . 316 Val HG13 . 27978 1 1168 . 1 . 1 94 94 VAL HG21 H 1 1.077 0.011 . 2 . . . . . 316 Val HG21 . 27978 1 1169 . 1 . 1 94 94 VAL HG22 H 1 1.077 0.011 . 2 . . . . . 316 Val HG22 . 27978 1 1170 . 1 . 1 94 94 VAL HG23 H 1 1.077 0.011 . 2 . . . . . 316 Val HG23 . 27978 1 1171 . 1 . 1 94 94 VAL C C 13 176.696 0.088 . 1 . . . . . 316 Val C . 27978 1 1172 . 1 . 1 94 94 VAL CA C 13 60.261 0.001 . 1 . . . . . 316 Val CA . 27978 1 1173 . 1 . 1 94 94 VAL CB C 13 34.145 0.136 . 1 . . . . . 316 Val CB . 27978 1 1174 . 1 . 1 94 94 VAL CG1 C 13 19.417 0.079 . 2 . . . . . 316 Val CG1 . 27978 1 1175 . 1 . 1 94 94 VAL CG2 C 13 22.327 0.060 . 2 . . . . . 316 Val CG2 . 27978 1 1176 . 1 . 1 94 94 VAL N N 15 119.271 0.117 . 1 . . . . . 316 Val N . 27978 1 1177 . 1 . 1 95 95 THR H H 1 8.989 0.009 . 1 . . . . . 317 Thr H . 27978 1 1178 . 1 . 1 95 95 THR HA H 1 4.731 0.005 . 1 . . . . . 317 Thr HA . 27978 1 1179 . 1 . 1 95 95 THR HB H 1 4.821 0.000 . 1 . . . . . 317 Thr HB . 27978 1 1180 . 1 . 1 95 95 THR HG21 H 1 1.394 0.005 . 1 . . . . . 317 Thr HG21 . 27978 1 1181 . 1 . 1 95 95 THR HG22 H 1 1.394 0.005 . 1 . . . . . 317 Thr HG22 . 27978 1 1182 . 1 . 1 95 95 THR HG23 H 1 1.394 0.005 . 1 . . . . . 317 Thr HG23 . 27978 1 1183 . 1 . 1 95 95 THR C C 13 173.947 0.000 . 1 . . . . . 317 Thr C . 27978 1 1184 . 1 . 1 95 95 THR CA C 13 60.841 0.114 . 1 . . . . . 317 Thr CA . 27978 1 1185 . 1 . 1 95 95 THR CB C 13 68.163 0.000 . 1 . . . . . 317 Thr CB . 27978 1 1186 . 1 . 1 95 95 THR CG2 C 13 21.955 0.108 . 1 . . . . . 317 Thr CG2 . 27978 1 1187 . 1 . 1 95 95 THR N N 15 116.917 0.087 . 1 . . . . . 317 Thr N . 27978 1 1188 . 1 . 1 96 96 PRO HA H 1 4.250 0.000 . 1 . . . . . 318 Pro HA . 27978 1 1189 . 1 . 1 96 96 PRO HD2 H 1 3.996 0.001 . 2 . . . . . 318 Pro HD2 . 27978 1 1190 . 1 . 1 96 96 PRO HD3 H 1 3.939 0.002 . 2 . . . . . 318 Pro HD3 . 27978 1 1191 . 1 . 1 96 96 PRO C C 13 179.269 0.127 . 1 . . . . . 318 Pro C . 27978 1 1192 . 1 . 1 96 96 PRO CA C 13 65.956 0.000 . 1 . . . . . 318 Pro CA . 27978 1 1193 . 1 . 1 96 96 PRO CB C 13 31.177 0.000 . 1 . . . . . 318 Pro CB . 27978 1 1194 . 1 . 1 96 96 PRO CD C 13 50.367 0.031 . 1 . . . . . 318 Pro CD . 27978 1 1195 . 1 . 1 97 97 GLN H H 1 8.305 0.008 . 1 . . . . . 319 Gln H . 27978 1 1196 . 1 . 1 97 97 GLN HA H 1 4.118 0.014 . 1 . . . . . 319 Gln HA . 27978 1 1197 . 1 . 1 97 97 GLN HB2 H 1 2.146 0.001 . 2 . . . . . 319 Gln HB2 . 27978 1 1198 . 1 . 1 97 97 GLN HB3 H 1 2.068 0.012 . 2 . . . . . 319 Gln HB3 . 27978 1 1199 . 1 . 1 97 97 GLN HG2 H 1 2.576 0.001 . 2 . . . . . 319 Gln HG2 . 27978 1 1200 . 1 . 1 97 97 GLN HG3 H 1 2.502 0.011 . 2 . . . . . 319 Gln HG3 . 27978 1 1201 . 1 . 1 97 97 GLN HE21 H 1 7.665 0.009 . 1 . . . . . 319 Gln HE21 . 27978 1 1202 . 1 . 1 97 97 GLN HE22 H 1 6.926 0.003 . 1 . . . . . 319 Gln HE22 . 27978 1 1203 . 1 . 1 97 97 GLN C C 13 179.581 0.052 . 1 . . . . . 319 Gln C . 27978 1 1204 . 1 . 1 97 97 GLN CA C 13 59.660 0.125 . 1 . . . . . 319 Gln CA . 27978 1 1205 . 1 . 1 97 97 GLN CB C 13 28.072 0.102 . 1 . . . . . 319 Gln CB . 27978 1 1206 . 1 . 1 97 97 GLN CG C 13 34.607 0.063 . 1 . . . . . 319 Gln CG . 27978 1 1207 . 1 . 1 97 97 GLN N N 15 115.994 0.092 . 1 . . . . . 319 Gln N . 27978 1 1208 . 1 . 1 97 97 GLN NE2 N 15 112.459 0.025 . 1 . . . . . 319 Gln NE2 . 27978 1 1209 . 1 . 1 98 98 GLU H H 1 7.716 0.006 . 1 . . . . . 320 Glu H . 27978 1 1210 . 1 . 1 98 98 GLU HA H 1 4.160 0.004 . 1 . . . . . 320 Glu HA . 27978 1 1211 . 1 . 1 98 98 GLU HB2 H 1 1.948 0.002 . 2 . . . . . 320 Glu HB2 . 27978 1 1212 . 1 . 1 98 98 GLU HB3 H 1 2.541 0.010 . 2 . . . . . 320 Glu HB3 . 27978 1 1213 . 1 . 1 98 98 GLU HG2 H 1 2.745 0.010 . 2 . . . . . 320 Glu HG2 . 27978 1 1214 . 1 . 1 98 98 GLU HG3 H 1 2.406 0.011 . 2 . . . . . 320 Glu HG3 . 27978 1 1215 . 1 . 1 98 98 GLU C C 13 178.490 0.071 . 1 . . . . . 320 Glu C . 27978 1 1216 . 1 . 1 98 98 GLU CA C 13 58.672 0.128 . 1 . . . . . 320 Glu CA . 27978 1 1217 . 1 . 1 98 98 GLU CB C 13 29.969 0.154 . 1 . . . . . 320 Glu CB . 27978 1 1218 . 1 . 1 98 98 GLU CG C 13 37.099 0.074 . 1 . . . . . 320 Glu CG . 27978 1 1219 . 1 . 1 98 98 GLU N N 15 122.658 0.047 . 1 . . . . . 320 Glu N . 27978 1 1220 . 1 . 1 99 99 LYS H H 1 8.573 0.008 . 1 . . . . . 321 Lys H . 27978 1 1221 . 1 . 1 99 99 LYS HA H 1 3.772 0.012 . 1 . . . . . 321 Lys HA . 27978 1 1222 . 1 . 1 99 99 LYS HB2 H 1 2.019 0.012 . 2 . . . . . 321 Lys HB2 . 27978 1 1223 . 1 . 1 99 99 LYS HB3 H 1 1.838 0.009 . 2 . . . . . 321 Lys HB3 . 27978 1 1224 . 1 . 1 99 99 LYS HG2 H 1 1.477 0.002 . 2 . . . . . 321 Lys HG2 . 27978 1 1225 . 1 . 1 99 99 LYS HG3 H 1 1.426 0.004 . 2 . . . . . 321 Lys HG3 . 27978 1 1226 . 1 . 1 99 99 LYS HD2 H 1 1.694 0.005 . 2 . . . . . 321 Lys HD2 . 27978 1 1227 . 1 . 1 99 99 LYS HD3 H 1 1.609 0.010 . 2 . . . . . 321 Lys HD3 . 27978 1 1228 . 1 . 1 99 99 LYS HE2 H 1 2.955 0.001 . 2 . . . . . 321 Lys HE2 . 27978 1 1229 . 1 . 1 99 99 LYS HE3 H 1 2.917 0.003 . 2 . . . . . 321 Lys HE3 . 27978 1 1230 . 1 . 1 99 99 LYS C C 13 178.568 0.081 . 1 . . . . . 321 Lys C . 27978 1 1231 . 1 . 1 99 99 LYS CA C 13 59.454 0.129 . 1 . . . . . 321 Lys CA . 27978 1 1232 . 1 . 1 99 99 LYS CB C 13 32.153 0.125 . 1 . . . . . 321 Lys CB . 27978 1 1233 . 1 . 1 99 99 LYS CG C 13 25.195 0.028 . 1 . . . . . 321 Lys CG . 27978 1 1234 . 1 . 1 99 99 LYS CD C 13 29.164 0.030 . 1 . . . . . 321 Lys CD . 27978 1 1235 . 1 . 1 99 99 LYS CE C 13 42.163 0.043 . 1 . . . . . 321 Lys CE . 27978 1 1236 . 1 . 1 99 99 LYS N N 15 119.367 0.086 . 1 . . . . . 321 Lys N . 27978 1 1237 . 1 . 1 100 100 GLU H H 1 7.745 0.008 . 1 . . . . . 322 Glu H . 27978 1 1238 . 1 . 1 100 100 GLU HA H 1 3.917 0.014 . 1 . . . . . 322 Glu HA . 27978 1 1239 . 1 . 1 100 100 GLU HB2 H 1 2.188 0.010 . 2 . . . . . 322 Glu HB2 . 27978 1 1240 . 1 . 1 100 100 GLU HB3 H 1 2.049 0.010 . 2 . . . . . 322 Glu HB3 . 27978 1 1241 . 1 . 1 100 100 GLU HG2 H 1 2.268 0.002 . 2 . . . . . 322 Glu HG2 . 27978 1 1242 . 1 . 1 100 100 GLU HG3 H 1 2.532 0.013 . 2 . . . . . 322 Glu HG3 . 27978 1 1243 . 1 . 1 100 100 GLU C C 13 179.231 0.071 . 1 . . . . . 322 Glu C . 27978 1 1244 . 1 . 1 100 100 GLU CA C 13 59.515 0.107 . 1 . . . . . 322 Glu CA . 27978 1 1245 . 1 . 1 100 100 GLU CB C 13 29.375 0.073 . 1 . . . . . 322 Glu CB . 27978 1 1246 . 1 . 1 100 100 GLU CG C 13 36.818 0.100 . 1 . . . . . 322 Glu CG . 27978 1 1247 . 1 . 1 100 100 GLU N N 15 116.937 0.059 . 1 . . . . . 322 Glu N . 27978 1 1248 . 1 . 1 101 101 ALA H H 1 7.245 0.009 . 1 . . . . . 323 Ala H . 27978 1 1249 . 1 . 1 101 101 ALA HA H 1 3.897 0.010 . 1 . . . . . 323 Ala HA . 27978 1 1250 . 1 . 1 101 101 ALA HB1 H 1 1.324 0.010 . 1 . . . . . 323 Ala HB1 . 27978 1 1251 . 1 . 1 101 101 ALA HB2 H 1 1.324 0.010 . 1 . . . . . 323 Ala HB2 . 27978 1 1252 . 1 . 1 101 101 ALA HB3 H 1 1.324 0.010 . 1 . . . . . 323 Ala HB3 . 27978 1 1253 . 1 . 1 101 101 ALA C C 13 178.976 0.064 . 1 . . . . . 323 Ala C . 27978 1 1254 . 1 . 1 101 101 ALA CA C 13 55.451 0.081 . 1 . . . . . 323 Ala CA . 27978 1 1255 . 1 . 1 101 101 ALA CB C 13 18.768 0.076 . 1 . . . . . 323 Ala CB . 27978 1 1256 . 1 . 1 101 101 ALA N N 15 122.819 0.083 . 1 . . . . . 323 Ala N . 27978 1 1257 . 1 . 1 102 102 ILE H H 1 7.904 0.008 . 1 . . . . . 324 Ile H . 27978 1 1258 . 1 . 1 102 102 ILE HA H 1 3.116 0.016 . 1 . . . . . 324 Ile HA . 27978 1 1259 . 1 . 1 102 102 ILE HB H 1 1.883 0.008 . 1 . . . . . 324 Ile HB . 27978 1 1260 . 1 . 1 102 102 ILE HG12 H 1 0.966 0.014 . 2 . . . . . 324 Ile HG12 . 27978 1 1261 . 1 . 1 102 102 ILE HG13 H 1 0.412 0.007 . 2 . . . . . 324 Ile HG13 . 27978 1 1262 . 1 . 1 102 102 ILE HG21 H 1 0.741 0.011 . 1 . . . . . 324 Ile HG21 . 27978 1 1263 . 1 . 1 102 102 ILE HG22 H 1 0.741 0.011 . 1 . . . . . 324 Ile HG22 . 27978 1 1264 . 1 . 1 102 102 ILE HG23 H 1 0.741 0.011 . 1 . . . . . 324 Ile HG23 . 27978 1 1265 . 1 . 1 102 102 ILE HD11 H 1 0.593 0.009 . 1 . . . . . 324 Ile HD11 . 27978 1 1266 . 1 . 1 102 102 ILE HD12 H 1 0.593 0.009 . 1 . . . . . 324 Ile HD12 . 27978 1 1267 . 1 . 1 102 102 ILE HD13 H 1 0.593 0.009 . 1 . . . . . 324 Ile HD13 . 27978 1 1268 . 1 . 1 102 102 ILE C C 13 178.369 0.057 . 1 . . . . . 324 Ile C . 27978 1 1269 . 1 . 1 102 102 ILE CA C 13 65.096 0.100 . 1 . . . . . 324 Ile CA . 27978 1 1270 . 1 . 1 102 102 ILE CB C 13 37.655 0.106 . 1 . . . . . 324 Ile CB . 27978 1 1271 . 1 . 1 102 102 ILE CG1 C 13 29.712 0.075 . 1 . . . . . 324 Ile CG1 . 27978 1 1272 . 1 . 1 102 102 ILE CG2 C 13 16.445 0.091 . 1 . . . . . 324 Ile CG2 . 27978 1 1273 . 1 . 1 102 102 ILE CD1 C 13 13.625 0.067 . 1 . . . . . 324 Ile CD1 . 27978 1 1274 . 1 . 1 102 102 ILE N N 15 118.420 0.093 . 1 . . . . . 324 Ile N . 27978 1 1275 . 1 . 1 103 103 GLU H H 1 8.344 0.007 . 1 . . . . . 325 Glu H . 27978 1 1276 . 1 . 1 103 103 GLU HA H 1 4.029 0.006 . 1 . . . . . 325 Glu HA . 27978 1 1277 . 1 . 1 103 103 GLU HB2 H 1 2.096 0.011 . 1 . . . . . 325 Glu HB2 . 27978 1 1278 . 1 . 1 103 103 GLU HG3 H 1 2.402 0.003 . 1 . . . . . 325 Glu HG3 . 27978 1 1279 . 1 . 1 103 103 GLU C C 13 180.307 0.069 . 1 . . . . . 325 Glu C . 27978 1 1280 . 1 . 1 103 103 GLU CA C 13 59.431 0.092 . 1 . . . . . 325 Glu CA . 27978 1 1281 . 1 . 1 103 103 GLU CB C 13 28.983 0.063 . 1 . . . . . 325 Glu CB . 27978 1 1282 . 1 . 1 103 103 GLU CG C 13 36.249 0.054 . 1 . . . . . 325 Glu CG . 27978 1 1283 . 1 . 1 103 103 GLU N N 15 117.955 0.049 . 1 . . . . . 325 Glu N . 27978 1 1284 . 1 . 1 104 104 ARG H H 1 7.887 0.009 . 1 . . . . . 326 Arg H . 27978 1 1285 . 1 . 1 104 104 ARG HA H 1 4.054 0.008 . 1 . . . . . 326 Arg HA . 27978 1 1286 . 1 . 1 104 104 ARG HB2 H 1 1.655 0.007 . 2 . . . . . 326 Arg HB2 . 27978 1 1287 . 1 . 1 104 104 ARG HB3 H 1 2.298 0.011 . 2 . . . . . 326 Arg HB3 . 27978 1 1288 . 1 . 1 104 104 ARG HG2 H 1 1.465 0.007 . 2 . . . . . 326 Arg HG2 . 27978 1 1289 . 1 . 1 104 104 ARG HG3 H 1 1.871 0.012 . 2 . . . . . 326 Arg HG3 . 27978 1 1290 . 1 . 1 104 104 ARG HD2 H 1 3.042 0.008 . 2 . . . . . 326 Arg HD2 . 27978 1 1291 . 1 . 1 104 104 ARG HD3 H 1 3.451 0.010 . 2 . . . . . 326 Arg HD3 . 27978 1 1292 . 1 . 1 104 104 ARG HE H 1 9.497 0.010 . 1 . . . . . 326 Arg HE . 27978 1 1293 . 1 . 1 104 104 ARG HH11 H 1 6.858 0.013 . 1 . . . . . 326 Arg HH11 . 27978 1 1294 . 1 . 1 104 104 ARG C C 13 179.885 0.062 . 1 . . . . . 326 Arg C . 27978 1 1295 . 1 . 1 104 104 ARG CA C 13 60.852 0.090 . 1 . . . . . 326 Arg CA . 27978 1 1296 . 1 . 1 104 104 ARG CB C 13 31.373 0.107 . 1 . . . . . 326 Arg CB . 27978 1 1297 . 1 . 1 104 104 ARG CG C 13 30.054 0.127 . 1 . . . . . 326 Arg CG . 27978 1 1298 . 1 . 1 104 104 ARG CD C 13 43.703 0.104 . 1 . . . . . 326 Arg CD . 27978 1 1299 . 1 . 1 104 104 ARG N N 15 121.691 0.095 . 1 . . . . . 326 Arg N . 27978 1 1300 . 1 . 1 104 104 ARG NE N 15 85.276 0.077 . 1 . . . . . 326 Arg NE . 27978 1 1301 . 1 . 1 105 105 LEU H H 1 8.091 0.008 . 1 . . . . . 327 Leu H . 27978 1 1302 . 1 . 1 105 105 LEU HA H 1 4.175 0.008 . 1 . . . . . 327 Leu HA . 27978 1 1303 . 1 . 1 105 105 LEU HB2 H 1 2.078 0.004 . 2 . . . . . 327 Leu HB2 . 27978 1 1304 . 1 . 1 105 105 LEU HB3 H 1 1.132 0.010 . 2 . . . . . 327 Leu HB3 . 27978 1 1305 . 1 . 1 105 105 LEU HG H 1 1.944 0.012 . 1 . . . . . 327 Leu HG . 27978 1 1306 . 1 . 1 105 105 LEU HD11 H 1 0.999 0.009 . 2 . . . . . 327 Leu HD11 . 27978 1 1307 . 1 . 1 105 105 LEU HD12 H 1 0.999 0.009 . 2 . . . . . 327 Leu HD12 . 27978 1 1308 . 1 . 1 105 105 LEU HD13 H 1 0.999 0.009 . 2 . . . . . 327 Leu HD13 . 27978 1 1309 . 1 . 1 105 105 LEU HD21 H 1 0.726 0.008 . 2 . . . . . 327 Leu HD21 . 27978 1 1310 . 1 . 1 105 105 LEU HD22 H 1 0.726 0.008 . 2 . . . . . 327 Leu HD22 . 27978 1 1311 . 1 . 1 105 105 LEU HD23 H 1 0.726 0.008 . 2 . . . . . 327 Leu HD23 . 27978 1 1312 . 1 . 1 105 105 LEU C C 13 179.989 0.072 . 1 . . . . . 327 Leu C . 27978 1 1313 . 1 . 1 105 105 LEU CA C 13 57.728 0.091 . 1 . . . . . 327 Leu CA . 27978 1 1314 . 1 . 1 105 105 LEU CB C 13 43.159 0.114 . 1 . . . . . 327 Leu CB . 27978 1 1315 . 1 . 1 105 105 LEU CG C 13 27.055 0.068 . 1 . . . . . 327 Leu CG . 27978 1 1316 . 1 . 1 105 105 LEU CD1 C 13 23.255 0.095 . 2 . . . . . 327 Leu CD1 . 27978 1 1317 . 1 . 1 105 105 LEU CD2 C 13 26.937 0.046 . 2 . . . . . 327 Leu CD2 . 27978 1 1318 . 1 . 1 105 105 LEU N N 15 120.668 0.067 . 1 . . . . . 327 Leu N . 27978 1 1319 . 1 . 1 106 106 LYS H H 1 8.606 0.011 . 1 . . . . . 328 Lys H . 27978 1 1320 . 1 . 1 106 106 LYS HA H 1 4.322 0.009 . 1 . . . . . 328 Lys HA . 27978 1 1321 . 1 . 1 106 106 LYS HB2 H 1 2.065 0.015 . 2 . . . . . 328 Lys HB2 . 27978 1 1322 . 1 . 1 106 106 LYS HB3 H 1 1.878 0.012 . 2 . . . . . 328 Lys HB3 . 27978 1 1323 . 1 . 1 106 106 LYS HG2 H 1 1.847 0.010 . 2 . . . . . 328 Lys HG2 . 27978 1 1324 . 1 . 1 106 106 LYS HG3 H 1 1.441 0.014 . 2 . . . . . 328 Lys HG3 . 27978 1 1325 . 1 . 1 106 106 LYS HD3 H 1 1.620 0.009 . 1 . . . . . 328 Lys HD3 . 27978 1 1326 . 1 . 1 106 106 LYS HE2 H 1 3.066 0.010 . 2 . . . . . 328 Lys HE2 . 27978 1 1327 . 1 . 1 106 106 LYS HE3 H 1 2.952 0.012 . 2 . . . . . 328 Lys HE3 . 27978 1 1328 . 1 . 1 106 106 LYS C C 13 180.715 0.089 . 1 . . . . . 328 Lys C . 27978 1 1329 . 1 . 1 106 106 LYS CA C 13 59.535 0.134 . 1 . . . . . 328 Lys CA . 27978 1 1330 . 1 . 1 106 106 LYS CB C 13 32.638 0.066 . 1 . . . . . 328 Lys CB . 27978 1 1331 . 1 . 1 106 106 LYS CG C 13 25.600 0.095 . 1 . . . . . 328 Lys CG . 27978 1 1332 . 1 . 1 106 106 LYS CD C 13 30.434 0.049 . 1 . . . . . 328 Lys CD . 27978 1 1333 . 1 . 1 106 106 LYS CE C 13 41.449 0.062 . 1 . . . . . 328 Lys CE . 27978 1 1334 . 1 . 1 106 106 LYS N N 15 119.019 0.064 . 1 . . . . . 328 Lys N . 27978 1 1335 . 1 . 1 107 107 ALA H H 1 7.759 0.008 . 1 . . . . . 329 Ala H . 27978 1 1336 . 1 . 1 107 107 ALA HA H 1 4.247 0.003 . 1 . . . . . 329 Ala HA . 27978 1 1337 . 1 . 1 107 107 ALA HB1 H 1 1.582 0.010 . 1 . . . . . 329 Ala HB1 . 27978 1 1338 . 1 . 1 107 107 ALA HB2 H 1 1.582 0.010 . 1 . . . . . 329 Ala HB2 . 27978 1 1339 . 1 . 1 107 107 ALA HB3 H 1 1.582 0.010 . 1 . . . . . 329 Ala HB3 . 27978 1 1340 . 1 . 1 107 107 ALA C C 13 178.726 0.074 . 1 . . . . . 329 Ala C . 27978 1 1341 . 1 . 1 107 107 ALA CA C 13 54.121 0.042 . 1 . . . . . 329 Ala CA . 27978 1 1342 . 1 . 1 107 107 ALA CB C 13 17.721 0.047 . 1 . . . . . 329 Ala CB . 27978 1 1343 . 1 . 1 107 107 ALA N N 15 121.137 0.041 . 1 . . . . . 329 Ala N . 27978 1 1344 . 1 . 1 108 108 LEU H H 1 7.555 0.009 . 1 . . . . . 330 Leu H . 27978 1 1345 . 1 . 1 108 108 LEU HA H 1 4.284 0.010 . 1 . . . . . 330 Leu HA . 27978 1 1346 . 1 . 1 108 108 LEU HB2 H 1 2.460 0.006 . 2 . . . . . 330 Leu HB2 . 27978 1 1347 . 1 . 1 108 108 LEU HB3 H 1 1.777 0.008 . 2 . . . . . 330 Leu HB3 . 27978 1 1348 . 1 . 1 108 108 LEU HG H 1 2.138 0.007 . 1 . . . . . 330 Leu HG . 27978 1 1349 . 1 . 1 108 108 LEU HD11 H 1 0.989 0.009 . 2 . . . . . 330 Leu HD11 . 27978 1 1350 . 1 . 1 108 108 LEU HD12 H 1 0.989 0.009 . 2 . . . . . 330 Leu HD12 . 27978 1 1351 . 1 . 1 108 108 LEU HD13 H 1 0.989 0.009 . 2 . . . . . 330 Leu HD13 . 27978 1 1352 . 1 . 1 108 108 LEU HD21 H 1 1.143 0.008 . 2 . . . . . 330 Leu HD21 . 27978 1 1353 . 1 . 1 108 108 LEU HD22 H 1 1.143 0.008 . 2 . . . . . 330 Leu HD22 . 27978 1 1354 . 1 . 1 108 108 LEU HD23 H 1 1.143 0.008 . 2 . . . . . 330 Leu HD23 . 27978 1 1355 . 1 . 1 108 108 LEU C C 13 176.892 0.053 . 1 . . . . . 330 Leu C . 27978 1 1356 . 1 . 1 108 108 LEU CA C 13 56.165 0.114 . 1 . . . . . 330 Leu CA . 27978 1 1357 . 1 . 1 108 108 LEU CB C 13 42.103 0.073 . 1 . . . . . 330 Leu CB . 27978 1 1358 . 1 . 1 108 108 LEU CG C 13 26.512 0.069 . 1 . . . . . 330 Leu CG . 27978 1 1359 . 1 . 1 108 108 LEU CD1 C 13 22.086 0.074 . 2 . . . . . 330 Leu CD1 . 27978 1 1360 . 1 . 1 108 108 LEU CD2 C 13 25.754 0.072 . 2 . . . . . 330 Leu CD2 . 27978 1 1361 . 1 . 1 108 108 LEU N N 15 117.675 0.039 . 1 . . . . . 330 Leu N . 27978 1 1362 . 1 . 1 109 109 GLY H H 1 8.222 0.007 . 1 . . . . . 331 Gly H . 27978 1 1363 . 1 . 1 109 109 GLY HA2 H 1 3.593 0.007 . 2 . . . . . 331 Gly HA2 . 27978 1 1364 . 1 . 1 109 109 GLY HA3 H 1 4.012 0.007 . 2 . . . . . 331 Gly HA3 . 27978 1 1365 . 1 . 1 109 109 GLY C C 13 173.138 0.053 . 1 . . . . . 331 Gly C . 27978 1 1366 . 1 . 1 109 109 GLY CA C 13 45.031 0.071 . 1 . . . . . 331 Gly CA . 27978 1 1367 . 1 . 1 109 109 GLY N N 15 105.144 0.062 . 1 . . . . . 331 Gly N . 27978 1 1368 . 1 . 1 110 110 PHE H H 1 7.220 0.007 . 1 . . . . . 332 Phe H . 27978 1 1369 . 1 . 1 110 110 PHE HA H 1 4.979 0.007 . 1 . . . . . 332 Phe HA . 27978 1 1370 . 1 . 1 110 110 PHE HB2 H 1 2.934 0.013 . 2 . . . . . 332 Phe HB2 . 27978 1 1371 . 1 . 1 110 110 PHE HB3 H 1 2.433 0.009 . 2 . . . . . 332 Phe HB3 . 27978 1 1372 . 1 . 1 110 110 PHE HD1 H 1 7.198 0.006 . 3 . . . . . 332 Phe HD1 . 27978 1 1373 . 1 . 1 110 110 PHE HD2 H 1 7.198 0.006 . 3 . . . . . 332 Phe HD2 . 27978 1 1374 . 1 . 1 110 110 PHE HE1 H 1 7.132 0.013 . 3 . . . . . 332 Phe HE1 . 27978 1 1375 . 1 . 1 110 110 PHE HE2 H 1 7.132 0.013 . 3 . . . . . 332 Phe HE2 . 27978 1 1376 . 1 . 1 110 110 PHE HZ H 1 7.188 0.005 . 1 . . . . . 332 Phe HZ . 27978 1 1377 . 1 . 1 110 110 PHE C C 13 172.817 0.000 . 1 . . . . . 332 Phe C . 27978 1 1378 . 1 . 1 110 110 PHE CA C 13 55.672 0.069 . 1 . . . . . 332 Phe CA . 27978 1 1379 . 1 . 1 110 110 PHE CB C 13 42.157 0.050 . 1 . . . . . 332 Phe CB . 27978 1 1380 . 1 . 1 110 110 PHE CD1 C 13 131.913 0.082 . 3 . . . . . 332 Phe CD1 . 27978 1 1381 . 1 . 1 110 110 PHE CD2 C 13 131.913 0.082 . 3 . . . . . 332 Phe CD2 . 27978 1 1382 . 1 . 1 110 110 PHE CE1 C 13 130.087 0.094 . 3 . . . . . 332 Phe CE1 . 27978 1 1383 . 1 . 1 110 110 PHE CE2 C 13 130.087 0.094 . 3 . . . . . 332 Phe CE2 . 27978 1 1384 . 1 . 1 110 110 PHE N N 15 117.854 0.040 . 1 . . . . . 332 Phe N . 27978 1 1385 . 1 . 1 111 111 PRO HA H 1 4.565 0.010 . 1 . . . . . 333 Pro HA . 27978 1 1386 . 1 . 1 111 111 PRO HB2 H 1 2.503 0.008 . 2 . . . . . 333 Pro HB2 . 27978 1 1387 . 1 . 1 111 111 PRO HB3 H 1 2.079 0.006 . 2 . . . . . 333 Pro HB3 . 27978 1 1388 . 1 . 1 111 111 PRO HG2 H 1 2.202 0.007 . 2 . . . . . 333 Pro HG2 . 27978 1 1389 . 1 . 1 111 111 PRO HG3 H 1 2.159 0.009 . 2 . . . . . 333 Pro HG3 . 27978 1 1390 . 1 . 1 111 111 PRO HD2 H 1 4.058 0.007 . 2 . . . . . 333 Pro HD2 . 27978 1 1391 . 1 . 1 111 111 PRO HD3 H 1 3.762 0.006 . 2 . . . . . 333 Pro HD3 . 27978 1 1392 . 1 . 1 111 111 PRO C C 13 177.475 0.074 . 1 . . . . . 333 Pro C . 27978 1 1393 . 1 . 1 111 111 PRO CA C 13 62.204 0.080 . 1 . . . . . 333 Pro CA . 27978 1 1394 . 1 . 1 111 111 PRO CB C 13 32.468 0.119 . 1 . . . . . 333 Pro CB . 27978 1 1395 . 1 . 1 111 111 PRO CG C 13 27.724 0.092 . 1 . . . . . 333 Pro CG . 27978 1 1396 . 1 . 1 111 111 PRO CD C 13 51.006 0.060 . 1 . . . . . 333 Pro CD . 27978 1 1397 . 1 . 1 112 112 GLU H H 1 9.115 0.007 . 1 . . . . . 334 Glu H . 27978 1 1398 . 1 . 1 112 112 GLU HA H 1 3.610 0.006 . 1 . . . . . 334 Glu HA . 27978 1 1399 . 1 . 1 112 112 GLU HB2 H 1 2.120 0.014 . 2 . . . . . 334 Glu HB2 . 27978 1 1400 . 1 . 1 112 112 GLU HB3 H 1 2.154 0.006 . 2 . . . . . 334 Glu HB3 . 27978 1 1401 . 1 . 1 112 112 GLU HG2 H 1 1.959 0.011 . 2 . . . . . 334 Glu HG2 . 27978 1 1402 . 1 . 1 112 112 GLU HG3 H 1 2.253 0.007 . 2 . . . . . 334 Glu HG3 . 27978 1 1403 . 1 . 1 112 112 GLU C C 13 176.937 0.080 . 1 . . . . . 334 Glu C . 27978 1 1404 . 1 . 1 112 112 GLU CA C 13 61.292 0.077 . 1 . . . . . 334 Glu CA . 27978 1 1405 . 1 . 1 112 112 GLU CB C 13 30.545 0.031 . 1 . . . . . 334 Glu CB . 27978 1 1406 . 1 . 1 112 112 GLU CG C 13 37.471 0.123 . 1 . . . . . 334 Glu CG . 27978 1 1407 . 1 . 1 112 112 GLU N N 15 123.490 0.077 . 1 . . . . . 334 Glu N . 27978 1 1408 . 1 . 1 113 113 SER H H 1 8.925 0.007 . 1 . . . . . 335 Ser H . 27978 1 1409 . 1 . 1 113 113 SER HA H 1 4.096 0.012 . 1 . . . . . 335 Ser HA . 27978 1 1410 . 1 . 1 113 113 SER HB2 H 1 3.954 0.012 . 2 . . . . . 335 Ser HB2 . 27978 1 1411 . 1 . 1 113 113 SER HB3 H 1 3.929 0.007 . 2 . . . . . 335 Ser HB3 . 27978 1 1412 . 1 . 1 113 113 SER C C 13 176.998 0.083 . 1 . . . . . 335 Ser C . 27978 1 1413 . 1 . 1 113 113 SER CA C 13 61.543 0.127 . 1 . . . . . 335 Ser CA . 27978 1 1414 . 1 . 1 113 113 SER CB C 13 61.783 0.112 . 1 . . . . . 335 Ser CB . 27978 1 1415 . 1 . 1 113 113 SER N N 15 111.729 0.053 . 1 . . . . . 335 Ser N . 27978 1 1416 . 1 . 1 114 114 LEU H H 1 6.834 0.007 . 1 . . . . . 336 Leu H . 27978 1 1417 . 1 . 1 114 114 LEU HA H 1 4.273 0.010 . 1 . . . . . 336 Leu HA . 27978 1 1418 . 1 . 1 114 114 LEU HB2 H 1 1.691 0.004 . 2 . . . . . 336 Leu HB2 . 27978 1 1419 . 1 . 1 114 114 LEU HB3 H 1 1.671 0.002 . 2 . . . . . 336 Leu HB3 . 27978 1 1420 . 1 . 1 114 114 LEU HG H 1 1.587 0.004 . 1 . . . . . 336 Leu HG . 27978 1 1421 . 1 . 1 114 114 LEU HD11 H 1 0.888 0.005 . 2 . . . . . 336 Leu HD11 . 27978 1 1422 . 1 . 1 114 114 LEU HD12 H 1 0.888 0.005 . 2 . . . . . 336 Leu HD12 . 27978 1 1423 . 1 . 1 114 114 LEU HD13 H 1 0.888 0.005 . 2 . . . . . 336 Leu HD13 . 27978 1 1424 . 1 . 1 114 114 LEU HD21 H 1 0.928 0.006 . 2 . . . . . 336 Leu HD21 . 27978 1 1425 . 1 . 1 114 114 LEU HD22 H 1 0.928 0.006 . 2 . . . . . 336 Leu HD22 . 27978 1 1426 . 1 . 1 114 114 LEU HD23 H 1 0.928 0.006 . 2 . . . . . 336 Leu HD23 . 27978 1 1427 . 1 . 1 114 114 LEU C C 13 178.836 0.039 . 1 . . . . . 336 Leu C . 27978 1 1428 . 1 . 1 114 114 LEU CA C 13 57.095 0.071 . 1 . . . . . 336 Leu CA . 27978 1 1429 . 1 . 1 114 114 LEU CB C 13 42.561 0.067 . 1 . . . . . 336 Leu CB . 27978 1 1430 . 1 . 1 114 114 LEU CG C 13 27.181 0.035 . 1 . . . . . 336 Leu CG . 27978 1 1431 . 1 . 1 114 114 LEU CD1 C 13 24.891 0.056 . 2 . . . . . 336 Leu CD1 . 27978 1 1432 . 1 . 1 114 114 LEU CD2 C 13 23.812 0.028 . 2 . . . . . 336 Leu CD2 . 27978 1 1433 . 1 . 1 114 114 LEU N N 15 122.381 0.065 . 1 . . . . . 336 Leu N . 27978 1 1434 . 1 . 1 115 115 VAL H H 1 8.060 0.008 . 1 . . . . . 337 Val H . 27978 1 1435 . 1 . 1 115 115 VAL HA H 1 3.464 0.009 . 1 . . . . . 337 Val HA . 27978 1 1436 . 1 . 1 115 115 VAL HB H 1 2.169 0.009 . 1 . . . . . 337 Val HB . 27978 1 1437 . 1 . 1 115 115 VAL HG11 H 1 0.902 0.008 . 2 . . . . . 337 Val HG11 . 27978 1 1438 . 1 . 1 115 115 VAL HG12 H 1 0.902 0.008 . 2 . . . . . 337 Val HG12 . 27978 1 1439 . 1 . 1 115 115 VAL HG13 H 1 0.902 0.008 . 2 . . . . . 337 Val HG13 . 27978 1 1440 . 1 . 1 115 115 VAL HG21 H 1 0.997 0.007 . 2 . . . . . 337 Val HG21 . 27978 1 1441 . 1 . 1 115 115 VAL HG22 H 1 0.997 0.007 . 2 . . . . . 337 Val HG22 . 27978 1 1442 . 1 . 1 115 115 VAL HG23 H 1 0.997 0.007 . 2 . . . . . 337 Val HG23 . 27978 1 1443 . 1 . 1 115 115 VAL C C 13 177.308 0.065 . 1 . . . . . 337 Val C . 27978 1 1444 . 1 . 1 115 115 VAL CA C 13 67.339 0.087 . 1 . . . . . 337 Val CA . 27978 1 1445 . 1 . 1 115 115 VAL CB C 13 31.194 0.079 . 1 . . . . . 337 Val CB . 27978 1 1446 . 1 . 1 115 115 VAL CG1 C 13 23.959 0.089 . 2 . . . . . 337 Val CG1 . 27978 1 1447 . 1 . 1 115 115 VAL CG2 C 13 24.132 0.097 . 2 . . . . . 337 Val CG2 . 27978 1 1448 . 1 . 1 115 115 VAL N N 15 119.469 0.077 . 1 . . . . . 337 Val N . 27978 1 1449 . 1 . 1 116 116 ILE H H 1 8.634 0.010 . 1 . . . . . 338 Ile H . 27978 1 1450 . 1 . 1 116 116 ILE HA H 1 3.530 0.013 . 1 . . . . . 338 Ile HA . 27978 1 1451 . 1 . 1 116 116 ILE HB H 1 1.857 0.015 . 1 . . . . . 338 Ile HB . 27978 1 1452 . 1 . 1 116 116 ILE HG12 H 1 1.075 0.009 . 2 . . . . . 338 Ile HG12 . 27978 1 1453 . 1 . 1 116 116 ILE HG13 H 1 1.765 0.009 . 2 . . . . . 338 Ile HG13 . 27978 1 1454 . 1 . 1 116 116 ILE HG21 H 1 0.898 0.006 . 1 . . . . . 338 Ile HG21 . 27978 1 1455 . 1 . 1 116 116 ILE HG22 H 1 0.898 0.006 . 1 . . . . . 338 Ile HG22 . 27978 1 1456 . 1 . 1 116 116 ILE HG23 H 1 0.898 0.006 . 1 . . . . . 338 Ile HG23 . 27978 1 1457 . 1 . 1 116 116 ILE HD11 H 1 0.875 0.013 . 1 . . . . . 338 Ile HD11 . 27978 1 1458 . 1 . 1 116 116 ILE HD12 H 1 0.875 0.013 . 1 . . . . . 338 Ile HD12 . 27978 1 1459 . 1 . 1 116 116 ILE HD13 H 1 0.875 0.013 . 1 . . . . . 338 Ile HD13 . 27978 1 1460 . 1 . 1 116 116 ILE C C 13 177.538 0.066 . 1 . . . . . 338 Ile C . 27978 1 1461 . 1 . 1 116 116 ILE CA C 13 66.046 0.059 . 1 . . . . . 338 Ile CA . 27978 1 1462 . 1 . 1 116 116 ILE CB C 13 37.845 0.076 . 1 . . . . . 338 Ile CB . 27978 1 1463 . 1 . 1 116 116 ILE CG1 C 13 29.742 0.055 . 1 . . . . . 338 Ile CG1 . 27978 1 1464 . 1 . 1 116 116 ILE CG2 C 13 17.666 0.014 . 1 . . . . . 338 Ile CG2 . 27978 1 1465 . 1 . 1 116 116 ILE CD1 C 13 14.141 0.066 . 1 . . . . . 338 Ile CD1 . 27978 1 1466 . 1 . 1 116 116 ILE N N 15 118.825 0.070 . 1 . . . . . 338 Ile N . 27978 1 1467 . 1 . 1 117 117 GLN H H 1 7.318 0.007 . 1 . . . . . 339 Gln H . 27978 1 1468 . 1 . 1 117 117 GLN HA H 1 4.059 0.008 . 1 . . . . . 339 Gln HA . 27978 1 1469 . 1 . 1 117 117 GLN HB2 H 1 2.181 0.006 . 2 . . . . . 339 Gln HB2 . 27978 1 1470 . 1 . 1 117 117 GLN HB3 H 1 2.233 0.007 . 2 . . . . . 339 Gln HB3 . 27978 1 1471 . 1 . 1 117 117 GLN HG3 H 1 2.577 0.003 . 1 . . . . . 339 Gln HG3 . 27978 1 1472 . 1 . 1 117 117 GLN HE21 H 1 7.436 0.006 . 1 . . . . . 339 Gln HE21 . 27978 1 1473 . 1 . 1 117 117 GLN HE22 H 1 6.854 0.005 . 1 . . . . . 339 Gln HE22 . 27978 1 1474 . 1 . 1 117 117 GLN C C 13 178.952 0.020 . 1 . . . . . 339 Gln C . 27978 1 1475 . 1 . 1 117 117 GLN CA C 13 59.513 0.084 . 1 . . . . . 339 Gln CA . 27978 1 1476 . 1 . 1 117 117 GLN CB C 13 28.724 0.054 . 1 . . . . . 339 Gln CB . 27978 1 1477 . 1 . 1 117 117 GLN CG C 13 34.000 0.060 . 1 . . . . . 339 Gln CG . 27978 1 1478 . 1 . 1 117 117 GLN N N 15 117.174 0.059 . 1 . . . . . 339 Gln N . 27978 1 1479 . 1 . 1 117 117 GLN NE2 N 15 110.975 0.067 . 1 . . . . . 339 Gln NE2 . 27978 1 1480 . 1 . 1 118 118 ALA H H 1 8.321 0.009 . 1 . . . . . 340 Ala H . 27978 1 1481 . 1 . 1 118 118 ALA HA H 1 3.737 0.010 . 1 . . . . . 340 Ala HA . 27978 1 1482 . 1 . 1 118 118 ALA HB1 H 1 1.453 0.011 . 1 . . . . . 340 Ala HB1 . 27978 1 1483 . 1 . 1 118 118 ALA HB2 H 1 1.453 0.011 . 1 . . . . . 340 Ala HB2 . 27978 1 1484 . 1 . 1 118 118 ALA HB3 H 1 1.453 0.011 . 1 . . . . . 340 Ala HB3 . 27978 1 1485 . 1 . 1 118 118 ALA C C 13 178.581 0.089 . 1 . . . . . 340 Ala C . 27978 1 1486 . 1 . 1 118 118 ALA CA C 13 54.875 0.081 . 1 . . . . . 340 Ala CA . 27978 1 1487 . 1 . 1 118 118 ALA CB C 13 19.439 0.066 . 1 . . . . . 340 Ala CB . 27978 1 1488 . 1 . 1 118 118 ALA N N 15 121.275 0.086 . 1 . . . . . 340 Ala N . 27978 1 1489 . 1 . 1 119 119 TYR H H 1 9.129 0.011 . 1 . . . . . 341 Tyr H . 27978 1 1490 . 1 . 1 119 119 TYR HA H 1 3.746 0.009 . 1 . . . . . 341 Tyr HA . 27978 1 1491 . 1 . 1 119 119 TYR HB2 H 1 2.807 0.015 . 2 . . . . . 341 Tyr HB2 . 27978 1 1492 . 1 . 1 119 119 TYR HB3 H 1 2.759 0.013 . 2 . . . . . 341 Tyr HB3 . 27978 1 1493 . 1 . 1 119 119 TYR HD1 H 1 6.241 0.006 . 3 . . . . . 341 Tyr HD1 . 27978 1 1494 . 1 . 1 119 119 TYR HD2 H 1 6.241 0.006 . 3 . . . . . 341 Tyr HD2 . 27978 1 1495 . 1 . 1 119 119 TYR HE1 H 1 6.235 0.004 . 3 . . . . . 341 Tyr HE1 . 27978 1 1496 . 1 . 1 119 119 TYR HE2 H 1 6.235 0.004 . 3 . . . . . 341 Tyr HE2 . 27978 1 1497 . 1 . 1 119 119 TYR C C 13 178.070 0.084 . 1 . . . . . 341 Tyr C . 27978 1 1498 . 1 . 1 119 119 TYR CA C 13 61.988 0.122 . 1 . . . . . 341 Tyr CA . 27978 1 1499 . 1 . 1 119 119 TYR CB C 13 39.072 0.053 . 1 . . . . . 341 Tyr CB . 27978 1 1500 . 1 . 1 119 119 TYR CD1 C 13 131.556 0.070 . 3 . . . . . 341 Tyr CD1 . 27978 1 1501 . 1 . 1 119 119 TYR CD2 C 13 131.556 0.070 . 3 . . . . . 341 Tyr CD2 . 27978 1 1502 . 1 . 1 119 119 TYR CE1 C 13 117.335 0.066 . 3 . . . . . 341 Tyr CE1 . 27978 1 1503 . 1 . 1 119 119 TYR CE2 C 13 117.335 0.066 . 3 . . . . . 341 Tyr CE2 . 27978 1 1504 . 1 . 1 119 119 TYR N N 15 118.457 0.093 . 1 . . . . . 341 Tyr N . 27978 1 1505 . 1 . 1 120 120 PHE H H 1 8.182 0.010 . 1 . . . . . 342 Phe H . 27978 1 1506 . 1 . 1 120 120 PHE HA H 1 4.024 0.004 . 1 . . . . . 342 Phe HA . 27978 1 1507 . 1 . 1 120 120 PHE HB2 H 1 3.140 0.008 . 2 . . . . . 342 Phe HB2 . 27978 1 1508 . 1 . 1 120 120 PHE HB3 H 1 3.038 0.011 . 2 . . . . . 342 Phe HB3 . 27978 1 1509 . 1 . 1 120 120 PHE HD1 H 1 7.507 0.010 . 3 . . . . . 342 Phe HD1 . 27978 1 1510 . 1 . 1 120 120 PHE HD2 H 1 7.507 0.010 . 3 . . . . . 342 Phe HD2 . 27978 1 1511 . 1 . 1 120 120 PHE HE1 H 1 7.309 0.013 . 3 . . . . . 342 Phe HE1 . 27978 1 1512 . 1 . 1 120 120 PHE HE2 H 1 7.309 0.013 . 3 . . . . . 342 Phe HE2 . 27978 1 1513 . 1 . 1 120 120 PHE C C 13 179.535 0.019 . 1 . . . . . 342 Phe C . 27978 1 1514 . 1 . 1 120 120 PHE CA C 13 61.539 0.075 . 1 . . . . . 342 Phe CA . 27978 1 1515 . 1 . 1 120 120 PHE CB C 13 37.860 0.113 . 1 . . . . . 342 Phe CB . 27978 1 1516 . 1 . 1 120 120 PHE CD1 C 13 131.521 0.075 . 3 . . . . . 342 Phe CD1 . 27978 1 1517 . 1 . 1 120 120 PHE CD2 C 13 131.521 0.075 . 3 . . . . . 342 Phe CD2 . 27978 1 1518 . 1 . 1 120 120 PHE N N 15 114.996 0.094 . 1 . . . . . 342 Phe N . 27978 1 1519 . 1 . 1 121 121 ALA H H 1 8.282 0.011 . 1 . . . . . 343 Ala H . 27978 1 1520 . 1 . 1 121 121 ALA HA H 1 4.242 0.015 . 1 . . . . . 343 Ala HA . 27978 1 1521 . 1 . 1 121 121 ALA HB1 H 1 1.398 0.005 . 1 . . . . . 343 Ala HB1 . 27978 1 1522 . 1 . 1 121 121 ALA HB2 H 1 1.398 0.005 . 1 . . . . . 343 Ala HB2 . 27978 1 1523 . 1 . 1 121 121 ALA HB3 H 1 1.398 0.005 . 1 . . . . . 343 Ala HB3 . 27978 1 1524 . 1 . 1 121 121 ALA C C 13 179.462 0.079 . 1 . . . . . 343 Ala C . 27978 1 1525 . 1 . 1 121 121 ALA CA C 13 55.117 0.115 . 1 . . . . . 343 Ala CA . 27978 1 1526 . 1 . 1 121 121 ALA CB C 13 18.444 0.099 . 1 . . . . . 343 Ala CB . 27978 1 1527 . 1 . 1 121 121 ALA N N 15 123.972 0.095 . 1 . . . . . 343 Ala N . 27978 1 1528 . 1 . 1 122 122 CYS H H 1 7.378 0.008 . 1 . . . . . 344 Cys H . 27978 1 1529 . 1 . 1 122 122 CYS HA H 1 4.506 0.006 . 1 . . . . . 344 Cys HA . 27978 1 1530 . 1 . 1 122 122 CYS HB2 H 1 3.078 0.010 . 2 . . . . . 344 Cys HB2 . 27978 1 1531 . 1 . 1 122 122 CYS HB3 H 1 2.676 0.007 . 2 . . . . . 344 Cys HB3 . 27978 1 1532 . 1 . 1 122 122 CYS C C 13 173.745 0.061 . 1 . . . . . 344 Cys C . 27978 1 1533 . 1 . 1 122 122 CYS CA C 13 58.845 0.094 . 1 . . . . . 344 Cys CA . 27978 1 1534 . 1 . 1 122 122 CYS CB C 13 27.149 0.058 . 1 . . . . . 344 Cys CB . 27978 1 1535 . 1 . 1 122 122 CYS N N 15 114.073 0.090 . 1 . . . . . 344 Cys N . 27978 1 1536 . 1 . 1 123 123 GLU H H 1 7.650 0.009 . 1 . . . . . 345 Glu H . 27978 1 1537 . 1 . 1 123 123 GLU HA H 1 3.733 0.004 . 1 . . . . . 345 Glu HA . 27978 1 1538 . 1 . 1 123 123 GLU HB2 H 1 1.997 0.016 . 2 . . . . . 345 Glu HB2 . 27978 1 1539 . 1 . 1 123 123 GLU HB3 H 1 2.107 0.006 . 2 . . . . . 345 Glu HB3 . 27978 1 1540 . 1 . 1 123 123 GLU HG3 H 1 2.112 0.007 . 1 . . . . . 345 Glu HG3 . 27978 1 1541 . 1 . 1 123 123 GLU C C 13 175.154 0.062 . 1 . . . . . 345 Glu C . 27978 1 1542 . 1 . 1 123 123 GLU CA C 13 57.039 0.106 . 1 . . . . . 345 Glu CA . 27978 1 1543 . 1 . 1 123 123 GLU CB C 13 26.695 0.089 . 1 . . . . . 345 Glu CB . 27978 1 1544 . 1 . 1 123 123 GLU CG C 13 36.694 0.093 . 1 . . . . . 345 Glu CG . 27978 1 1545 . 1 . 1 123 123 GLU N N 15 114.048 0.073 . 1 . . . . . 345 Glu N . 27978 1 1546 . 1 . 1 124 124 LYS H H 1 8.028 0.010 . 1 . . . . . 346 Lys H . 27978 1 1547 . 1 . 1 124 124 LYS HA H 1 1.601 0.008 . 1 . . . . . 346 Lys HA . 27978 1 1548 . 1 . 1 124 124 LYS HB2 H 1 1.822 0.010 . 2 . . . . . 346 Lys HB2 . 27978 1 1549 . 1 . 1 124 124 LYS HB3 H 1 1.433 0.013 . 2 . . . . . 346 Lys HB3 . 27978 1 1550 . 1 . 1 124 124 LYS HG2 H 1 0.852 0.009 . 2 . . . . . 346 Lys HG2 . 27978 1 1551 . 1 . 1 124 124 LYS HG3 H 1 0.240 0.007 . 2 . . . . . 346 Lys HG3 . 27978 1 1552 . 1 . 1 124 124 LYS HD2 H 1 1.633 0.004 . 2 . . . . . 346 Lys HD2 . 27978 1 1553 . 1 . 1 124 124 LYS HD3 H 1 1.473 0.009 . 2 . . . . . 346 Lys HD3 . 27978 1 1554 . 1 . 1 124 124 LYS HE2 H 1 2.655 0.007 . 2 . . . . . 346 Lys HE2 . 27978 1 1555 . 1 . 1 124 124 LYS HE3 H 1 2.787 0.010 . 2 . . . . . 346 Lys HE3 . 27978 1 1556 . 1 . 1 124 124 LYS C C 13 173.956 0.069 . 1 . . . . . 346 Lys C . 27978 1 1557 . 1 . 1 124 124 LYS CA C 13 56.956 0.147 . 1 . . . . . 346 Lys CA . 27978 1 1558 . 1 . 1 124 124 LYS CB C 13 28.111 0.060 . 1 . . . . . 346 Lys CB . 27978 1 1559 . 1 . 1 124 124 LYS CG C 13 25.305 0.100 . 1 . . . . . 346 Lys CG . 27978 1 1560 . 1 . 1 124 124 LYS CD C 13 29.707 0.055 . 1 . . . . . 346 Lys CD . 27978 1 1561 . 1 . 1 124 124 LYS CE C 13 42.051 0.064 . 1 . . . . . 346 Lys CE . 27978 1 1562 . 1 . 1 124 124 LYS N N 15 109.612 0.070 . 1 . . . . . 346 Lys N . 27978 1 1563 . 1 . 1 125 125 ASN H H 1 6.956 0.011 . 1 . . . . . 347 Asn H . 27978 1 1564 . 1 . 1 125 125 ASN HA H 1 4.807 0.012 . 1 . . . . . 347 Asn HA . 27978 1 1565 . 1 . 1 125 125 ASN HB2 H 1 2.647 0.010 . 2 . . . . . 347 Asn HB2 . 27978 1 1566 . 1 . 1 125 125 ASN HB3 H 1 3.191 0.007 . 2 . . . . . 347 Asn HB3 . 27978 1 1567 . 1 . 1 125 125 ASN HD21 H 1 7.882 0.006 . 1 . . . . . 347 Asn HD21 . 27978 1 1568 . 1 . 1 125 125 ASN HD22 H 1 7.095 0.008 . 1 . . . . . 347 Asn HD22 . 27978 1 1569 . 1 . 1 125 125 ASN C C 13 175.222 0.059 . 1 . . . . . 347 Asn C . 27978 1 1570 . 1 . 1 125 125 ASN CA C 13 52.219 0.103 . 1 . . . . . 347 Asn CA . 27978 1 1571 . 1 . 1 125 125 ASN CB C 13 39.259 0.090 . 1 . . . . . 347 Asn CB . 27978 1 1572 . 1 . 1 125 125 ASN N N 15 116.983 0.064 . 1 . . . . . 347 Asn N . 27978 1 1573 . 1 . 1 125 125 ASN ND2 N 15 114.075 0.055 . 1 . . . . . 347 Asn ND2 . 27978 1 1574 . 1 . 1 126 126 GLU H H 1 9.001 0.006 . 1 . . . . . 348 Glu H . 27978 1 1575 . 1 . 1 126 126 GLU HA H 1 3.842 0.011 . 1 . . . . . 348 Glu HA . 27978 1 1576 . 1 . 1 126 126 GLU HB2 H 1 2.091 0.009 . 2 . . . . . 348 Glu HB2 . 27978 1 1577 . 1 . 1 126 126 GLU HB3 H 1 2.251 0.009 . 2 . . . . . 348 Glu HB3 . 27978 1 1578 . 1 . 1 126 126 GLU HG2 H 1 2.274 0.007 . 2 . . . . . 348 Glu HG2 . 27978 1 1579 . 1 . 1 126 126 GLU HG3 H 1 2.216 0.003 . 2 . . . . . 348 Glu HG3 . 27978 1 1580 . 1 . 1 126 126 GLU C C 13 176.913 0.064 . 1 . . . . . 348 Glu C . 27978 1 1581 . 1 . 1 126 126 GLU CA C 13 60.611 0.106 . 1 . . . . . 348 Glu CA . 27978 1 1582 . 1 . 1 126 126 GLU CB C 13 30.754 0.126 . 1 . . . . . 348 Glu CB . 27978 1 1583 . 1 . 1 126 126 GLU CG C 13 35.679 0.111 . 1 . . . . . 348 Glu CG . 27978 1 1584 . 1 . 1 126 126 GLU N N 15 127.419 0.050 . 1 . . . . . 348 Glu N . 27978 1 1585 . 1 . 1 127 127 ASN H H 1 8.327 0.005 . 1 . . . . . 349 Asn H . 27978 1 1586 . 1 . 1 127 127 ASN HA H 1 4.522 0.006 . 1 . . . . . 349 Asn HA . 27978 1 1587 . 1 . 1 127 127 ASN HB2 H 1 2.912 0.006 . 2 . . . . . 349 Asn HB2 . 27978 1 1588 . 1 . 1 127 127 ASN HB3 H 1 2.851 0.006 . 2 . . . . . 349 Asn HB3 . 27978 1 1589 . 1 . 1 127 127 ASN HD21 H 1 7.665 0.006 . 1 . . . . . 349 Asn HD21 . 27978 1 1590 . 1 . 1 127 127 ASN HD22 H 1 7.034 0.007 . 1 . . . . . 349 Asn HD22 . 27978 1 1591 . 1 . 1 127 127 ASN C C 13 178.035 0.078 . 1 . . . . . 349 Asn C . 27978 1 1592 . 1 . 1 127 127 ASN CA C 13 56.612 0.101 . 1 . . . . . 349 Asn CA . 27978 1 1593 . 1 . 1 127 127 ASN CB C 13 38.504 0.055 . 1 . . . . . 349 Asn CB . 27978 1 1594 . 1 . 1 127 127 ASN N N 15 116.997 0.064 . 1 . . . . . 349 Asn N . 27978 1 1595 . 1 . 1 127 127 ASN ND2 N 15 112.845 0.037 . 1 . . . . . 349 Asn ND2 . 27978 1 1596 . 1 . 1 128 128 LEU H H 1 7.933 0.009 . 1 . . . . . 350 Leu H . 27978 1 1597 . 1 . 1 128 128 LEU HA H 1 4.180 0.009 . 1 . . . . . 350 Leu HA . 27978 1 1598 . 1 . 1 128 128 LEU HB2 H 1 1.758 0.006 . 2 . . . . . 350 Leu HB2 . 27978 1 1599 . 1 . 1 128 128 LEU HB3 H 1 1.642 0.006 . 2 . . . . . 350 Leu HB3 . 27978 1 1600 . 1 . 1 128 128 LEU HG H 1 1.669 0.006 . 1 . . . . . 350 Leu HG . 27978 1 1601 . 1 . 1 128 128 LEU HD11 H 1 0.933 0.013 . 2 . . . . . 350 Leu HD11 . 27978 1 1602 . 1 . 1 128 128 LEU HD12 H 1 0.933 0.013 . 2 . . . . . 350 Leu HD12 . 27978 1 1603 . 1 . 1 128 128 LEU HD13 H 1 0.933 0.013 . 2 . . . . . 350 Leu HD13 . 27978 1 1604 . 1 . 1 128 128 LEU HD21 H 1 0.898 0.003 . 2 . . . . . 350 Leu HD21 . 27978 1 1605 . 1 . 1 128 128 LEU HD22 H 1 0.898 0.003 . 2 . . . . . 350 Leu HD22 . 27978 1 1606 . 1 . 1 128 128 LEU HD23 H 1 0.898 0.003 . 2 . . . . . 350 Leu HD23 . 27978 1 1607 . 1 . 1 128 128 LEU C C 13 179.972 0.094 . 1 . . . . . 350 Leu C . 27978 1 1608 . 1 . 1 128 128 LEU CA C 13 57.830 0.078 . 1 . . . . . 350 Leu CA . 27978 1 1609 . 1 . 1 128 128 LEU CB C 13 41.729 0.136 . 1 . . . . . 350 Leu CB . 27978 1 1610 . 1 . 1 128 128 LEU CG C 13 26.955 0.049 . 1 . . . . . 350 Leu CG . 27978 1 1611 . 1 . 1 128 128 LEU CD1 C 13 24.801 0.067 . 2 . . . . . 350 Leu CD1 . 27978 1 1612 . 1 . 1 128 128 LEU CD2 C 13 23.076 0.046 . 2 . . . . . 350 Leu CD2 . 27978 1 1613 . 1 . 1 128 128 LEU N N 15 120.681 0.068 . 1 . . . . . 350 Leu N . 27978 1 1614 . 1 . 1 129 129 ALA H H 1 8.638 0.007 . 1 . . . . . 351 Ala H . 27978 1 1615 . 1 . 1 129 129 ALA HA H 1 4.349 0.013 . 1 . . . . . 351 Ala HA . 27978 1 1616 . 1 . 1 129 129 ALA HB1 H 1 1.398 0.012 . 1 . . . . . 351 Ala HB1 . 27978 1 1617 . 1 . 1 129 129 ALA HB2 H 1 1.398 0.012 . 1 . . . . . 351 Ala HB2 . 27978 1 1618 . 1 . 1 129 129 ALA HB3 H 1 1.398 0.012 . 1 . . . . . 351 Ala HB3 . 27978 1 1619 . 1 . 1 129 129 ALA C C 13 178.871 0.006 . 1 . . . . . 351 Ala C . 27978 1 1620 . 1 . 1 129 129 ALA CA C 13 55.258 0.053 . 1 . . . . . 351 Ala CA . 27978 1 1621 . 1 . 1 129 129 ALA CB C 13 18.089 0.073 . 1 . . . . . 351 Ala CB . 27978 1 1622 . 1 . 1 129 129 ALA N N 15 122.710 0.090 . 1 . . . . . 351 Ala N . 27978 1 1623 . 1 . 1 130 130 ALA H H 1 8.431 0.007 . 1 . . . . . 352 Ala H . 27978 1 1624 . 1 . 1 130 130 ALA HA H 1 3.826 0.009 . 1 . . . . . 352 Ala HA . 27978 1 1625 . 1 . 1 130 130 ALA HB1 H 1 1.524 0.008 . 1 . . . . . 352 Ala HB1 . 27978 1 1626 . 1 . 1 130 130 ALA HB2 H 1 1.524 0.008 . 1 . . . . . 352 Ala HB2 . 27978 1 1627 . 1 . 1 130 130 ALA HB3 H 1 1.524 0.008 . 1 . . . . . 352 Ala HB3 . 27978 1 1628 . 1 . 1 130 130 ALA C C 13 178.864 0.060 . 1 . . . . . 352 Ala C . 27978 1 1629 . 1 . 1 130 130 ALA CA C 13 55.894 0.061 . 1 . . . . . 352 Ala CA . 27978 1 1630 . 1 . 1 130 130 ALA CB C 13 17.742 0.056 . 1 . . . . . 352 Ala CB . 27978 1 1631 . 1 . 1 130 130 ALA N N 15 120.482 0.059 . 1 . . . . . 352 Ala N . 27978 1 1632 . 1 . 1 131 131 ASN H H 1 7.655 0.004 . 1 . . . . . 353 Asn H . 27978 1 1633 . 1 . 1 131 131 ASN HA H 1 4.374 0.006 . 1 . . . . . 353 Asn HA . 27978 1 1634 . 1 . 1 131 131 ASN HB2 H 1 2.916 0.008 . 2 . . . . . 353 Asn HB2 . 27978 1 1635 . 1 . 1 131 131 ASN HB3 H 1 2.862 0.009 . 2 . . . . . 353 Asn HB3 . 27978 1 1636 . 1 . 1 131 131 ASN HD21 H 1 6.886 0.005 . 1 . . . . . 353 Asn HD21 . 27978 1 1637 . 1 . 1 131 131 ASN HD22 H 1 7.557 0.003 . 1 . . . . . 353 Asn HD22 . 27978 1 1638 . 1 . 1 131 131 ASN C C 13 178.066 0.071 . 1 . . . . . 353 Asn C . 27978 1 1639 . 1 . 1 131 131 ASN CA C 13 56.508 0.131 . 1 . . . . . 353 Asn CA . 27978 1 1640 . 1 . 1 131 131 ASN CB C 13 38.539 0.046 . 1 . . . . . 353 Asn CB . 27978 1 1641 . 1 . 1 131 131 ASN N N 15 114.933 0.080 . 1 . . . . . 353 Asn N . 27978 1 1642 . 1 . 1 131 131 ASN ND2 N 15 111.796 0.078 . 1 . . . . . 353 Asn ND2 . 27978 1 1643 . 1 . 1 132 132 PHE H H 1 8.418 0.006 . 1 . . . . . 354 Phe H . 27978 1 1644 . 1 . 1 132 132 PHE HA H 1 4.144 0.008 . 1 . . . . . 354 Phe HA . 27978 1 1645 . 1 . 1 132 132 PHE HB2 H 1 3.290 0.014 . 2 . . . . . 354 Phe HB2 . 27978 1 1646 . 1 . 1 132 132 PHE HB3 H 1 3.193 0.010 . 2 . . . . . 354 Phe HB3 . 27978 1 1647 . 1 . 1 132 132 PHE HD1 H 1 7.031 0.008 . 3 . . . . . 354 Phe HD1 . 27978 1 1648 . 1 . 1 132 132 PHE HD2 H 1 7.031 0.008 . 3 . . . . . 354 Phe HD2 . 27978 1 1649 . 1 . 1 132 132 PHE HE1 H 1 7.242 0.009 . 3 . . . . . 354 Phe HE1 . 27978 1 1650 . 1 . 1 132 132 PHE HE2 H 1 7.242 0.009 . 3 . . . . . 354 Phe HE2 . 27978 1 1651 . 1 . 1 132 132 PHE C C 13 178.347 0.000 . 1 . . . . . 354 Phe C . 27978 1 1652 . 1 . 1 132 132 PHE CA C 13 61.235 0.076 . 1 . . . . . 354 Phe CA . 27978 1 1653 . 1 . 1 132 132 PHE CB C 13 39.481 0.064 . 1 . . . . . 354 Phe CB . 27978 1 1654 . 1 . 1 132 132 PHE CD1 C 13 131.564 0.031 . 3 . . . . . 354 Phe CD1 . 27978 1 1655 . 1 . 1 132 132 PHE CD2 C 13 131.564 0.031 . 3 . . . . . 354 Phe CD2 . 27978 1 1656 . 1 . 1 132 132 PHE CE1 C 13 131.378 0.059 . 3 . . . . . 354 Phe CE1 . 27978 1 1657 . 1 . 1 132 132 PHE CE2 C 13 131.378 0.059 . 3 . . . . . 354 Phe CE2 . 27978 1 1658 . 1 . 1 132 132 PHE N N 15 122.238 0.057 . 1 . . . . . 354 Phe N . 27978 1 1659 . 1 . 1 133 133 LEU H H 1 8.406 0.006 . 1 . . . . . 355 Leu H . 27978 1 1660 . 1 . 1 133 133 LEU HA H 1 3.518 0.009 . 1 . . . . . 355 Leu HA . 27978 1 1661 . 1 . 1 133 133 LEU HB2 H 1 1.443 0.011 . 2 . . . . . 355 Leu HB2 . 27978 1 1662 . 1 . 1 133 133 LEU HB3 H 1 -0.031 0.013 . 2 . . . . . 355 Leu HB3 . 27978 1 1663 . 1 . 1 133 133 LEU HG H 1 1.641 0.009 . 1 . . . . . 355 Leu HG . 27978 1 1664 . 1 . 1 133 133 LEU HD11 H 1 0.595 0.010 . 2 . . . . . 355 Leu HD11 . 27978 1 1665 . 1 . 1 133 133 LEU HD12 H 1 0.595 0.010 . 2 . . . . . 355 Leu HD12 . 27978 1 1666 . 1 . 1 133 133 LEU HD13 H 1 0.595 0.010 . 2 . . . . . 355 Leu HD13 . 27978 1 1667 . 1 . 1 133 133 LEU HD21 H 1 0.415 0.007 . 2 . . . . . 355 Leu HD21 . 27978 1 1668 . 1 . 1 133 133 LEU HD22 H 1 0.415 0.007 . 2 . . . . . 355 Leu HD22 . 27978 1 1669 . 1 . 1 133 133 LEU HD23 H 1 0.415 0.007 . 2 . . . . . 355 Leu HD23 . 27978 1 1670 . 1 . 1 133 133 LEU C C 13 178.528 0.092 . 1 . . . . . 355 Leu C . 27978 1 1671 . 1 . 1 133 133 LEU CA C 13 57.779 0.074 . 1 . . . . . 355 Leu CA . 27978 1 1672 . 1 . 1 133 133 LEU CB C 13 40.506 0.075 . 1 . . . . . 355 Leu CB . 27978 1 1673 . 1 . 1 133 133 LEU CG C 13 26.729 0.063 . 1 . . . . . 355 Leu CG . 27978 1 1674 . 1 . 1 133 133 LEU CD1 C 13 27.007 0.059 . 2 . . . . . 355 Leu CD1 . 27978 1 1675 . 1 . 1 133 133 LEU CD2 C 13 22.200 0.052 . 2 . . . . . 355 Leu CD2 . 27978 1 1676 . 1 . 1 133 133 LEU N N 15 121.211 0.089 . 1 . . . . . 355 Leu N . 27978 1 1677 . 1 . 1 134 134 LEU H H 1 8.163 0.007 . 1 . . . . . 356 Leu H . 27978 1 1678 . 1 . 1 134 134 LEU HA H 1 4.251 0.011 . 1 . . . . . 356 Leu HA . 27978 1 1679 . 1 . 1 134 134 LEU HB2 H 1 1.652 0.006 . 2 . . . . . 356 Leu HB2 . 27978 1 1680 . 1 . 1 134 134 LEU HB3 H 1 1.881 0.007 . 2 . . . . . 356 Leu HB3 . 27978 1 1681 . 1 . 1 134 134 LEU HG H 1 1.924 0.009 . 1 . . . . . 356 Leu HG . 27978 1 1682 . 1 . 1 134 134 LEU HD11 H 1 0.987 0.009 . 2 . . . . . 356 Leu HD11 . 27978 1 1683 . 1 . 1 134 134 LEU HD12 H 1 0.987 0.009 . 2 . . . . . 356 Leu HD12 . 27978 1 1684 . 1 . 1 134 134 LEU HD13 H 1 0.987 0.009 . 2 . . . . . 356 Leu HD13 . 27978 1 1685 . 1 . 1 134 134 LEU HD21 H 1 1.151 0.009 . 2 . . . . . 356 Leu HD21 . 27978 1 1686 . 1 . 1 134 134 LEU HD22 H 1 1.151 0.009 . 2 . . . . . 356 Leu HD22 . 27978 1 1687 . 1 . 1 134 134 LEU HD23 H 1 1.151 0.009 . 2 . . . . . 356 Leu HD23 . 27978 1 1688 . 1 . 1 134 134 LEU C C 13 178.479 0.049 . 1 . . . . . 356 Leu C . 27978 1 1689 . 1 . 1 134 134 LEU CA C 13 56.992 0.127 . 1 . . . . . 356 Leu CA . 27978 1 1690 . 1 . 1 134 134 LEU CB C 13 42.079 0.054 . 1 . . . . . 356 Leu CB . 27978 1 1691 . 1 . 1 134 134 LEU CG C 13 27.424 0.072 . 1 . . . . . 356 Leu CG . 27978 1 1692 . 1 . 1 134 134 LEU CD1 C 13 25.249 0.084 . 2 . . . . . 356 Leu CD1 . 27978 1 1693 . 1 . 1 134 134 LEU CD2 C 13 23.177 0.071 . 2 . . . . . 356 Leu CD2 . 27978 1 1694 . 1 . 1 134 134 LEU N N 15 116.429 0.043 . 1 . . . . . 356 Leu N . 27978 1 1695 . 1 . 1 135 135 SER H H 1 7.641 0.007 . 1 . . . . . 357 Ser H . 27978 1 1696 . 1 . 1 135 135 SER HA H 1 4.378 0.007 . 1 . . . . . 357 Ser HA . 27978 1 1697 . 1 . 1 135 135 SER HB3 H 1 3.915 0.009 . 1 . . . . . 357 Ser HB3 . 27978 1 1698 . 1 . 1 135 135 SER C C 13 174.550 0.048 . 1 . . . . . 357 Ser C . 27978 1 1699 . 1 . 1 135 135 SER CA C 13 59.559 0.138 . 1 . . . . . 357 Ser CA . 27978 1 1700 . 1 . 1 135 135 SER CB C 13 63.865 0.086 . 1 . . . . . 357 Ser CB . 27978 1 1701 . 1 . 1 135 135 SER N N 15 113.150 0.069 . 1 . . . . . 357 Ser N . 27978 1 1702 . 1 . 1 136 136 GLN H H 1 7.399 0.010 . 1 . . . . . 358 Gln H . 27978 1 1703 . 1 . 1 136 136 GLN HA H 1 4.054 0.006 . 1 . . . . . 358 Gln HA . 27978 1 1704 . 1 . 1 136 136 GLN HB2 H 1 1.708 0.005 . 2 . . . . . 358 Gln HB2 . 27978 1 1705 . 1 . 1 136 136 GLN HB3 H 1 1.751 0.010 . 2 . . . . . 358 Gln HB3 . 27978 1 1706 . 1 . 1 136 136 GLN HG2 H 1 1.932 0.007 . 2 . . . . . 358 Gln HG2 . 27978 1 1707 . 1 . 1 136 136 GLN HG3 H 1 2.062 0.008 . 2 . . . . . 358 Gln HG3 . 27978 1 1708 . 1 . 1 136 136 GLN HE21 H 1 6.885 0.007 . 1 . . . . . 358 Gln HE21 . 27978 1 1709 . 1 . 1 136 136 GLN HE22 H 1 6.462 0.009 . 1 . . . . . 358 Gln HE22 . 27978 1 1710 . 1 . 1 136 136 GLN C C 13 175.004 0.044 . 1 . . . . . 358 Gln C . 27978 1 1711 . 1 . 1 136 136 GLN CA C 13 55.655 0.114 . 1 . . . . . 358 Gln CA . 27978 1 1712 . 1 . 1 136 136 GLN CB C 13 29.129 0.085 . 1 . . . . . 358 Gln CB . 27978 1 1713 . 1 . 1 136 136 GLN CG C 13 33.588 0.064 . 1 . . . . . 358 Gln CG . 27978 1 1714 . 1 . 1 136 136 GLN N N 15 119.568 0.057 . 1 . . . . . 358 Gln N . 27978 1 1715 . 1 . 1 136 136 GLN NE2 N 15 112.679 0.048 . 1 . . . . . 358 Gln NE2 . 27978 1 1716 . 1 . 1 137 137 ASN H H 1 8.085 0.005 . 1 . . . . . 359 Asn H . 27978 1 1717 . 1 . 1 137 137 ASN HA H 1 4.713 0.006 . 1 . . . . . 359 Asn HA . 27978 1 1718 . 1 . 1 137 137 ASN HB2 H 1 2.775 0.005 . 2 . . . . . 359 Asn HB2 . 27978 1 1719 . 1 . 1 137 137 ASN HB3 H 1 2.631 0.007 . 2 . . . . . 359 Asn HB3 . 27978 1 1720 . 1 . 1 137 137 ASN HD21 H 1 7.548 0.005 . 1 . . . . . 359 Asn HD21 . 27978 1 1721 . 1 . 1 137 137 ASN HD22 H 1 6.889 0.007 . 1 . . . . . 359 Asn HD22 . 27978 1 1722 . 1 . 1 137 137 ASN C C 13 174.800 0.030 . 1 . . . . . 359 Asn C . 27978 1 1723 . 1 . 1 137 137 ASN CA C 13 53.054 0.054 . 1 . . . . . 359 Asn CA . 27978 1 1724 . 1 . 1 137 137 ASN CB C 13 39.168 0.069 . 1 . . . . . 359 Asn CB . 27978 1 1725 . 1 . 1 137 137 ASN N N 15 118.604 0.054 . 1 . . . . . 359 Asn N . 27978 1 1726 . 1 . 1 137 137 ASN ND2 N 15 112.715 0.030 . 1 . . . . . 359 Asn ND2 . 27978 1 1727 . 1 . 1 138 138 PHE H H 1 8.299 0.008 . 1 . . . . . 360 Phe H . 27978 1 1728 . 1 . 1 138 138 PHE HA H 1 4.647 0.009 . 1 . . . . . 360 Phe HA . 27978 1 1729 . 1 . 1 138 138 PHE HB2 H 1 2.964 0.006 . 2 . . . . . 360 Phe HB2 . 27978 1 1730 . 1 . 1 138 138 PHE HB3 H 1 3.230 0.010 . 2 . . . . . 360 Phe HB3 . 27978 1 1731 . 1 . 1 138 138 PHE HD1 H 1 7.255 0.010 . 3 . . . . . 360 Phe HD1 . 27978 1 1732 . 1 . 1 138 138 PHE HD2 H 1 7.255 0.010 . 3 . . . . . 360 Phe HD2 . 27978 1 1733 . 1 . 1 138 138 PHE HE1 H 1 7.323 0.002 . 3 . . . . . 360 Phe HE1 . 27978 1 1734 . 1 . 1 138 138 PHE HE2 H 1 7.323 0.002 . 3 . . . . . 360 Phe HE2 . 27978 1 1735 . 1 . 1 138 138 PHE C C 13 175.619 0.000 . 1 . . . . . 360 Phe C . 27978 1 1736 . 1 . 1 138 138 PHE CA C 13 57.900 0.101 . 1 . . . . . 360 Phe CA . 27978 1 1737 . 1 . 1 138 138 PHE CB C 13 39.554 0.089 . 1 . . . . . 360 Phe CB . 27978 1 1738 . 1 . 1 138 138 PHE CD1 C 13 131.832 0.091 . 3 . . . . . 360 Phe CD1 . 27978 1 1739 . 1 . 1 138 138 PHE CD2 C 13 131.832 0.091 . 3 . . . . . 360 Phe CD2 . 27978 1 1740 . 1 . 1 138 138 PHE CE1 C 13 131.693 0.100 . 3 . . . . . 360 Phe CE1 . 27978 1 1741 . 1 . 1 138 138 PHE CE2 C 13 131.693 0.100 . 3 . . . . . 360 Phe CE2 . 27978 1 1742 . 1 . 1 138 138 PHE N N 15 121.419 0.055 . 1 . . . . . 360 Phe N . 27978 1 1743 . 1 . 1 139 139 ASP H H 1 8.340 0.003 . 1 . . . . . 361 Asp H . 27978 1 1744 . 1 . 1 139 139 ASP HA H 1 4.602 0.008 . 1 . . . . . 361 Asp HA . 27978 1 1745 . 1 . 1 139 139 ASP HB2 H 1 2.725 0.001 . 2 . . . . . 361 Asp HB2 . 27978 1 1746 . 1 . 1 139 139 ASP HB3 H 1 2.657 0.017 . 2 . . . . . 361 Asp HB3 . 27978 1 1747 . 1 . 1 139 139 ASP C C 13 176.175 0.000 . 1 . . . . . 361 Asp C . 27978 1 1748 . 1 . 1 139 139 ASP CA C 13 54.787 0.080 . 1 . . . . . 361 Asp CA . 27978 1 1749 . 1 . 1 139 139 ASP CB C 13 41.214 0.044 . 1 . . . . . 361 Asp CB . 27978 1 1750 . 1 . 1 139 139 ASP N N 15 121.582 0.032 . 1 . . . . . 361 Asp N . 27978 1 1751 . 1 . 1 140 140 ASP H H 1 8.275 0.006 . 1 . . . . . 362 Asp H . 27978 1 1752 . 1 . 1 140 140 ASP HA H 1 4.563 0.005 . 1 . . . . . 362 Asp HA . 27978 1 1753 . 1 . 1 140 140 ASP HB3 H 1 2.695 0.003 . 1 . . . . . 362 Asp HB3 . 27978 1 1754 . 1 . 1 140 140 ASP C C 13 176.691 0.000 . 1 . . . . . 362 Asp C . 27978 1 1755 . 1 . 1 140 140 ASP CA C 13 54.862 0.137 . 1 . . . . . 362 Asp CA . 27978 1 1756 . 1 . 1 140 140 ASP CB C 13 41.377 0.063 . 1 . . . . . 362 Asp CB . 27978 1 1757 . 1 . 1 140 140 ASP N N 15 120.876 0.035 . 1 . . . . . 362 Asp N . 27978 1 1758 . 1 . 1 141 141 GLU H H 1 8.393 0.011 . 1 . . . . . 363 Glu H . 27978 1 1759 . 1 . 1 141 141 GLU HA H 1 4.213 0.011 . 1 . . . . . 363 Glu HA . 27978 1 1760 . 1 . 1 141 141 GLU HB2 H 1 2.010 0.019 . 2 . . . . . 363 Glu HB2 . 27978 1 1761 . 1 . 1 141 141 GLU HB3 H 1 2.085 0.004 . 2 . . . . . 363 Glu HB3 . 27978 1 1762 . 1 . 1 141 141 GLU HG2 H 1 2.308 0.002 . 2 . . . . . 363 Glu HG2 . 27978 1 1763 . 1 . 1 141 141 GLU HG3 H 1 2.270 0.006 . 2 . . . . . 363 Glu HG3 . 27978 1 1764 . 1 . 1 141 141 GLU C C 13 177.045 0.000 . 1 . . . . . 363 Glu C . 27978 1 1765 . 1 . 1 141 141 GLU CA C 13 57.252 0.112 . 1 . . . . . 363 Glu CA . 27978 1 1766 . 1 . 1 141 141 GLU CB C 13 29.960 0.052 . 1 . . . . . 363 Glu CB . 27978 1 1767 . 1 . 1 141 141 GLU CG C 13 36.464 0.008 . 1 . . . . . 363 Glu CG . 27978 1 1768 . 1 . 1 141 141 GLU N N 15 120.512 0.033 . 1 . . . . . 363 Glu N . 27978 1 1769 . 1 . 1 142 142 LEU H H 1 8.113 0.006 . 1 . . . . . . Leu H . 27978 1 1770 . 1 . 1 142 142 LEU HA H 1 4.198 0.006 . 1 . . . . . . Leu HA . 27978 1 1771 . 1 . 1 142 142 LEU HB2 H 1 1.661 0.008 . 2 . . . . . . Leu HB2 . 27978 1 1772 . 1 . 1 142 142 LEU HB3 H 1 1.508 0.005 . 2 . . . . . . Leu HB3 . 27978 1 1773 . 1 . 1 142 142 LEU HG H 1 1.627 0.005 . 1 . . . . . . Leu HG . 27978 1 1774 . 1 . 1 142 142 LEU HD11 H 1 0.850 0.014 . 2 . . . . . . Leu HD11 . 27978 1 1775 . 1 . 1 142 142 LEU HD12 H 1 0.850 0.014 . 2 . . . . . . Leu HD12 . 27978 1 1776 . 1 . 1 142 142 LEU HD13 H 1 0.850 0.014 . 2 . . . . . . Leu HD13 . 27978 1 1777 . 1 . 1 142 142 LEU HD21 H 1 0.910 0.001 . 2 . . . . . . Leu HD21 . 27978 1 1778 . 1 . 1 142 142 LEU HD22 H 1 0.910 0.001 . 2 . . . . . . Leu HD22 . 27978 1 1779 . 1 . 1 142 142 LEU HD23 H 1 0.910 0.001 . 2 . . . . . . Leu HD23 . 27978 1 1780 . 1 . 1 142 142 LEU C C 13 177.810 0.000 . 1 . . . . . . Leu C . 27978 1 1781 . 1 . 1 142 142 LEU CA C 13 55.977 0.116 . 1 . . . . . . Leu CA . 27978 1 1782 . 1 . 1 142 142 LEU CB C 13 42.174 0.114 . 1 . . . . . . Leu CB . 27978 1 1783 . 1 . 1 142 142 LEU CG C 13 26.951 0.003 . 1 . . . . . . Leu CG . 27978 1 1784 . 1 . 1 142 142 LEU CD1 C 13 23.445 0.025 . 2 . . . . . . Leu CD1 . 27978 1 1785 . 1 . 1 142 142 LEU CD2 C 13 25.040 0.039 . 2 . . . . . . Leu CD2 . 27978 1 1786 . 1 . 1 142 142 LEU N N 15 121.275 0.045 . 1 . . . . . . Leu N . 27978 1 1787 . 1 . 1 143 143 GLU H H 1 8.170 0.006 . 1 . . . . . . Glu H . 27978 1 1788 . 1 . 1 143 143 GLU HA H 1 4.142 0.000 . 1 . . . . . . Glu HA . 27978 1 1789 . 1 . 1 143 143 GLU HB2 H 1 1.910 0.002 . 1 . . . . . . Glu HB2 . 27978 1 1790 . 1 . 1 143 143 GLU C C 13 176.562 0.000 . 1 . . . . . . Glu C . 27978 1 1791 . 1 . 1 143 143 GLU CA C 13 57.208 0.000 . 1 . . . . . . Glu CA . 27978 1 1792 . 1 . 1 143 143 GLU CB C 13 30.068 0.075 . 1 . . . . . . Glu CB . 27978 1 1793 . 1 . 1 143 143 GLU N N 15 119.513 0.075 . 1 . . . . . . Glu N . 27978 1 1794 . 1 . 1 144 144 HIS H H 1 8.144 0.004 . 1 . . . . . . His H . 27978 1 1795 . 1 . 1 144 144 HIS CA C 13 56.230 0.000 . 1 . . . . . . His CA . 27978 1 1796 . 1 . 1 144 144 HIS N N 15 118.609 0.131 . 1 . . . . . . His N . 27978 1 1797 . 1 . 1 145 145 HIS H H 1 8.081 0.002 . 1 . . . . . . His H . 27978 1 1798 . 1 . 1 145 145 HIS HA H 1 4.598 0.000 . 1 . . . . . . His HA . 27978 1 1799 . 1 . 1 145 145 HIS HB2 H 1 3.009 0.000 . 1 . . . . . . His HB2 . 27978 1 1800 . 1 . 1 145 145 HIS HD1 H 1 6.991 0.000 . 1 . . . . . . His HD1 . 27978 1 1801 . 1 . 1 145 145 HIS CB C 13 30.344 0.025 . 1 . . . . . . His CB . 27978 1 1802 . 1 . 1 145 145 HIS N N 15 125.407 0.005 . 1 . . . . . . His N . 27978 1 1803 . 1 . 1 148 148 HIS HA H 1 4.656 0.000 . 1 . . . . . . His HA . 27978 1 1804 . 1 . 1 148 148 HIS C C 13 174.070 0.000 . 1 . . . . . . His C . 27978 1 1805 . 1 . 1 149 149 HIS H H 1 8.060 0.020 . 1 . . . . . . His H . 27978 1 1806 . 1 . 1 149 149 HIS HA H 1 4.616 0.002 . 1 . . . . . . His HA . 27978 1 1807 . 1 . 1 149 149 HIS HB2 H 1 3.136 0.021 . 1 . . . . . . His HB2 . 27978 1 1808 . 1 . 1 149 149 HIS HD2 H 1 7.077 0.005 . 1 . . . . . . His HD2 . 27978 1 1809 . 1 . 1 149 149 HIS CB C 13 30.361 0.029 . 1 . . . . . . His CB . 27978 1 1810 . 1 . 1 149 149 HIS N N 15 125.458 0.061 . 1 . . . . . . His N . 27978 1 stop_ save_