data_18495 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18495 _Entry.Title ; 1H chemical shifts of Thermolysin 205-316 fragment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-31 _Entry.Accession_date 2012-05-31 _Entry.Last_release_date 2012-05-31 _Entry.Original_release_date 2012-05-31 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Francisco Conejero-Lara . . . . 18495 2 Carlos Gonzalez . . . . 18495 3 Manuel Rico . . . . 18495 4 'M Angeles' Jimenez . . . . 18495 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18495 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 1 18495 '1H chemical shifts' 750 18495 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-06-18 . original BMRB . 18495 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18491 'Th255-316 dimer' 18495 PDB 1TRL . 18495 stop_ save_ ############### # Citations # ############### save_entry_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_2 _Citation.Entry_ID 18495 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 7993910 _Citation.Full_citation . _Citation.Title ; NMR solution structure of the C-terminal fragment 255-316 of Thermolysin: A dimer formed by subunits having native structure ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 33 _Citation.Journal_issue 49 _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 14834 _Citation.Page_last 14847 _Citation.Year 1994 _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 Manuel Rico . . . . 18495 1 2 'M Angeles' Jimenez . . . . 18495 1 3 Carlos Gonzalez . . . . 18495 1 4 Vincenzo 'de Filippis' . . . . 18495 1 5 Angelo Fontana . . . . 18495 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'dimer structure' 18495 1 'protein fragment' 18495 1 thermolysin 18495 1 stop_ save_ save_entry_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode entry_citation_1 _Citation.Entry_ID 18495 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1021/bi971060t _Citation.PubMed_ID 9305992 _Citation.Full_citation . _Citation.Title ; NMR solution structure of the 205-316 C-terminal fragment of Thermolysin. An example of dimerization coupled to partial unfolding. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue . _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 11975 _Citation.Page_last 11983 _Citation.Year 1997 _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 Francisco Conejero-Lara . . . . 18495 2 2 Carlos Gonzalez . . . . 18495 2 3 'M Angeles' Jimenez . . . . 18495 2 4 S. Padmanabhan . . . . 18495 2 5 Pedro Mateo . L. . . 18495 2 6 Manuel Rico . . . . 18495 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'dimer structure' 18495 2 'protein fragment' 18495 2 'protein unfolding' 18495 2 thermolysin 18495 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18495 _Assembly.ID 1 _Assembly.Name 'Th205-316 dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; Homodimer Symmetric Two identical subunits Residues 205-260 are disordered. ; _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 'Th205-316, chain 1' 1 $Th205-316 A . yes native no no . . 'Residues 205-260 are disordered.' 18495 1 2 'Th205-316, chain 2' 1 $Th205-316 B . yes native no no . . 'Residues 205-260 are disordered.' 18495 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1TRL . . 'solution NMR' . . . 18495 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Th205-316 _Entity.Sf_category entity _Entity.Sf_framecode Th205-316 _Entity.Entry_ID 18495 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Th205-316 _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 ; MSDPAKYGDPDHYSKRYTGT QDNGGVHINSGIINKAAYLI SQGGTHYGVSVVGIGRDKLG KIFYRALTQYLTPTSNFSQL RAAAVQSATDLYGSTSQEVA SVKQAFDAVGVK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; N-terminal residue is 205. Residues are numbered according to full-length Thermolysin. ; _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 112 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11949.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 205 MET . 18495 1 2 206 SER . 18495 1 3 207 ASP . 18495 1 4 208 PRO . 18495 1 5 209 ALA . 18495 1 6 210 LYS . 18495 1 7 211 TYR . 18495 1 8 212 GLY . 18495 1 9 213 ASP . 18495 1 10 214 PRO . 18495 1 11 215 ASP . 18495 1 12 216 HIS . 18495 1 13 217 TYR . 18495 1 14 218 SER . 18495 1 15 219 LYS . 18495 1 16 220 ARG . 18495 1 17 221 TYR . 18495 1 18 222 THR . 18495 1 19 223 GLY . 18495 1 20 224 THR . 18495 1 21 225 GLN . 18495 1 22 226 ASP . 18495 1 23 227 ASN . 18495 1 24 228 GLY . 18495 1 25 229 GLY . 18495 1 26 230 VAL . 18495 1 27 231 HIS . 18495 1 28 232 ILE . 18495 1 29 233 ASN . 18495 1 30 234 SER . 18495 1 31 235 GLY . 18495 1 32 236 ILE . 18495 1 33 237 ILE . 18495 1 34 238 ASN . 18495 1 35 239 LYS . 18495 1 36 240 ALA . 18495 1 37 241 ALA . 18495 1 38 242 TYR . 18495 1 39 243 LEU . 18495 1 40 244 ILE . 18495 1 41 245 SER . 18495 1 42 246 GLN . 18495 1 43 247 GLY . 18495 1 44 248 GLY . 18495 1 45 249 THR . 18495 1 46 250 HIS . 18495 1 47 251 TYR . 18495 1 48 252 GLY . 18495 1 49 253 VAL . 18495 1 50 254 SER . 18495 1 51 255 VAL . 18495 1 52 256 VAL . 18495 1 53 257 GLY . 18495 1 54 258 ILE . 18495 1 55 259 GLY . 18495 1 56 260 ARG . 18495 1 57 261 ASP . 18495 1 58 262 LYS . 18495 1 59 263 LEU . 18495 1 60 264 GLY . 18495 1 61 265 LYS . 18495 1 62 266 ILE . 18495 1 63 267 PHE . 18495 1 64 268 TYR . 18495 1 65 269 ARG . 18495 1 66 270 ALA . 18495 1 67 271 LEU . 18495 1 68 272 THR . 18495 1 69 273 GLN . 18495 1 70 274 TYR . 18495 1 71 275 LEU . 18495 1 72 276 THR . 18495 1 73 277 PRO . 18495 1 74 278 THR . 18495 1 75 279 SER . 18495 1 76 280 ASN . 18495 1 77 281 PHE . 18495 1 78 282 SER . 18495 1 79 283 GLN . 18495 1 80 284 LEU . 18495 1 81 285 ARG . 18495 1 82 286 ALA . 18495 1 83 287 ALA . 18495 1 84 288 ALA . 18495 1 85 289 VAL . 18495 1 86 290 GLN . 18495 1 87 291 SER . 18495 1 88 292 ALA . 18495 1 89 293 THR . 18495 1 90 294 ASP . 18495 1 91 295 LEU . 18495 1 92 296 TYR . 18495 1 93 297 GLY . 18495 1 94 298 SER . 18495 1 95 299 THR . 18495 1 96 300 SER . 18495 1 97 301 GLN . 18495 1 98 302 GLU . 18495 1 99 303 VAL . 18495 1 100 304 ALA . 18495 1 101 305 SER . 18495 1 102 306 VAL . 18495 1 103 307 LYS . 18495 1 104 308 GLN . 18495 1 105 309 ALA . 18495 1 106 310 PHE . 18495 1 107 311 ASP . 18495 1 108 312 ALA . 18495 1 109 313 VAL . 18495 1 110 314 GLY . 18495 1 111 315 VAL . 18495 1 112 316 LYS . 18495 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18495 1 . SER 2 2 18495 1 . ASP 3 3 18495 1 . PRO 4 4 18495 1 . ALA 5 5 18495 1 . LYS 6 6 18495 1 . TYR 7 7 18495 1 . GLY 8 8 18495 1 . ASP 9 9 18495 1 . PRO 10 10 18495 1 . ASP 11 11 18495 1 . HIS 12 12 18495 1 . TYR 13 13 18495 1 . SER 14 14 18495 1 . LYS 15 15 18495 1 . ARG 16 16 18495 1 . TYR 17 17 18495 1 . THR 18 18 18495 1 . GLY 19 19 18495 1 . THR 20 20 18495 1 . GLN 21 21 18495 1 . ASP 22 22 18495 1 . ASN 23 23 18495 1 . GLY 24 24 18495 1 . GLY 25 25 18495 1 . VAL 26 26 18495 1 . HIS 27 27 18495 1 . ILE 28 28 18495 1 . ASN 29 29 18495 1 . SER 30 30 18495 1 . GLY 31 31 18495 1 . ILE 32 32 18495 1 . ILE 33 33 18495 1 . ASN 34 34 18495 1 . LYS 35 35 18495 1 . ALA 36 36 18495 1 . ALA 37 37 18495 1 . TYR 38 38 18495 1 . LEU 39 39 18495 1 . ILE 40 40 18495 1 . SER 41 41 18495 1 . GLN 42 42 18495 1 . GLY 43 43 18495 1 . GLY 44 44 18495 1 . THR 45 45 18495 1 . HIS 46 46 18495 1 . TYR 47 47 18495 1 . GLY 48 48 18495 1 . VAL 49 49 18495 1 . SER 50 50 18495 1 . VAL 51 51 18495 1 . VAL 52 52 18495 1 . GLY 53 53 18495 1 . ILE 54 54 18495 1 . GLY 55 55 18495 1 . ARG 56 56 18495 1 . ASP 57 57 18495 1 . LYS 58 58 18495 1 . LEU 59 59 18495 1 . GLY 60 60 18495 1 . LYS 61 61 18495 1 . ILE 62 62 18495 1 . PHE 63 63 18495 1 . TYR 64 64 18495 1 . ARG 65 65 18495 1 . ALA 66 66 18495 1 . LEU 67 67 18495 1 . THR 68 68 18495 1 . GLN 69 69 18495 1 . TYR 70 70 18495 1 . LEU 71 71 18495 1 . THR 72 72 18495 1 . PRO 73 73 18495 1 . THR 74 74 18495 1 . SER 75 75 18495 1 . ASN 76 76 18495 1 . PHE 77 77 18495 1 . SER 78 78 18495 1 . GLN 79 79 18495 1 . LEU 80 80 18495 1 . ARG 81 81 18495 1 . ALA 82 82 18495 1 . ALA 83 83 18495 1 . ALA 84 84 18495 1 . VAL 85 85 18495 1 . GLN 86 86 18495 1 . SER 87 87 18495 1 . ALA 88 88 18495 1 . THR 89 89 18495 1 . ASP 90 90 18495 1 . LEU 91 91 18495 1 . TYR 92 92 18495 1 . GLY 93 93 18495 1 . SER 94 94 18495 1 . THR 95 95 18495 1 . SER 96 96 18495 1 . GLN 97 97 18495 1 . GLU 98 98 18495 1 . VAL 99 99 18495 1 . ALA 100 100 18495 1 . SER 101 101 18495 1 . VAL 102 102 18495 1 . LYS 103 103 18495 1 . GLN 104 104 18495 1 . ALA 105 105 18495 1 . PHE 106 106 18495 1 . ASP 107 107 18495 1 . ALA 108 108 18495 1 . VAL 109 109 18495 1 . GLY 110 110 18495 1 . VAL 111 111 18495 1 . LYS 112 112 18495 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 18495 _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 $Th205-316 . 1427 organism . 'Bacillus thermoproteolyticus' 'Bacillus thermoproteolyticus' . . Bacteria . Bacillus thermoproteolyticus . . . . . . . . . . . . . 18495 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 18495 _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 $Th205-316 . 'Limited proteolysis' 'Not applicable' . . . Not applicable . . . . . . . . . . 18495 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18495 _Sample.ID 1 _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 Th205-316 'natural abundance' . . 1 $Th205-316 . . 1 . . mM . . . . 18495 1 2 TSP 'natural abundance' . . . . . . 0.1 . . mM . . . . 18495 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18495 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18495 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18495 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 Th205-316 'natural abundance' . . 1 $Th205-316 . . 1 . . mM . . . . 18495 2 2 TSP 'natural abundance' . . . . . . 0.1 . . mM . . . . 18495 2 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18495 2 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 18495 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.0 . pH 18495 1 pressure 1 . atm 18495 1 temperature 298 . K 18495 1 stop_ save_ ############################ # Computer software used # ############################ save_UXNMR _Software.Sf_category software _Software.Sf_framecode UXNMR _Software.Entry_ID 18495 _Software.ID 1 _Software.Name UXNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18495 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18495 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18495 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 18495 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18495 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18495 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _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 18495 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 600 . . . 18495 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 18495 _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-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18495 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18495 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18495 1 4 '2D 1H-1H COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18495 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18495 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18495 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 18495 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 18495 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 18495 _Assigned_chem_shift_list.ID 1 _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 '0.01 ppm' _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-1H COSY' . . . 18495 1 2 '2D 1H-1H TOCSY' . . . 18495 1 3 '2D 1H-1H NOESY' . . . 18495 1 4 '2D 1H-1H COSY' . . . 18495 1 5 '2D 1H-1H TOCSY' . . . 18495 1 6 '2D 1H-1H NOESY' . . . 18495 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.24 0.01 . 1 . . . . 205 MET HA . 18495 1 2 . 1 1 1 1 MET HB2 H 1 2.24 0.01 . 1 . . . . 205 MET HB2 . 18495 1 3 . 1 1 1 1 MET HB3 H 1 2.24 0.01 . 1 . . . . 205 MET HB3 . 18495 1 4 . 1 1 1 1 MET HG2 H 1 2.68 0.01 . 1 . . . . 205 MET HG2 . 18495 1 5 . 1 1 1 1 MET HG3 H 1 2.68 0.01 . 1 . . . . 205 MET HG3 . 18495 1 6 . 1 1 2 2 SER H H 1 8.81 0.01 . 1 . . . . 206 SER H . 18495 1 7 . 1 1 2 2 SER HA H 1 4.55 0.01 . 1 . . . . 206 SER HA . 18495 1 8 . 1 1 2 2 SER HB2 H 1 3.85 0.01 . 1 . . . . 206 SER HB2 . 18495 1 9 . 1 1 2 2 SER HB3 H 1 3.90 0.01 . 1 . . . . 206 SER HB3 . 18495 1 10 . 1 1 3 3 ASP H H 1 8.56 0.01 . 1 . . . . 207 ASP H . 18495 1 11 . 1 1 3 3 ASP HA H 1 4.92 0.01 . 1 . . . . 207 ASP HA . 18495 1 12 . 1 1 3 3 ASP HB2 H 1 2.61 0.01 . 2 . . . . 207 ASP HB2 . 18495 1 13 . 1 1 3 3 ASP HB3 H 1 2.82 0.01 . 2 . . . . 207 ASP HB3 . 18495 1 14 . 1 1 4 4 PRO HA H 1 4.37 0.01 . 1 . . . . 208 PRO HA . 18495 1 15 . 1 1 4 4 PRO HB2 H 1 1.97 0.01 . 2 . . . . 208 PRO HB2 . 18495 1 16 . 1 1 4 4 PRO HB3 H 1 2.31 0.01 . 2 . . . . 208 PRO HB3 . 18495 1 17 . 1 1 4 4 PRO HG2 H 1 2.04 0.01 . 1 . . . . 208 PRO HG2 . 18495 1 18 . 1 1 4 4 PRO HG3 H 1 2.04 0.01 . 1 . . . . 208 PRO HG3 . 18495 1 19 . 1 1 4 4 PRO HD2 H 1 3.84 0.01 . 2 . . . . 208 PRO HD2 . 18495 1 20 . 1 1 4 4 PRO HD3 H 1 3.90 0.01 . 2 . . . . 208 PRO HD3 . 18495 1 21 . 1 1 5 5 ALA H H 1 8.31 0.01 . 1 . . . . 209 ALA H . 18495 1 22 . 1 1 5 5 ALA HA H 1 4.24 0.01 . 1 . . . . 209 ALA HA . 18495 1 23 . 1 1 5 5 ALA HB1 H 1 1.37 0.01 . 1 . . . . 209 ALA QB . 18495 1 24 . 1 1 5 5 ALA HB2 H 1 1.37 0.01 . 1 . . . . 209 ALA QB . 18495 1 25 . 1 1 5 5 ALA HB3 H 1 1.37 0.01 . 1 . . . . 209 ALA QB . 18495 1 26 . 1 1 6 6 LYS H H 1 7.96 0.01 . 1 . . . . 210 LYS H . 18495 1 27 . 1 1 6 6 LYS HA H 1 4.22 0.01 . 1 . . . . 210 LYS HA . 18495 1 28 . 1 1 6 6 LYS HB2 H 1 1.63 0.01 . 2 . . . . 210 LYS HB2 . 18495 1 29 . 1 1 6 6 LYS HB3 H 1 1.69 0.01 . 2 . . . . 210 LYS HB3 . 18495 1 30 . 1 1 6 6 LYS HG2 H 1 1.21 0.01 . 2 . . . . 210 LYS HG2 . 18495 1 31 . 1 1 6 6 LYS HG3 H 1 1.31 0.01 . 2 . . . . 210 LYS HG3 . 18495 1 32 . 1 1 6 6 LYS HD2 H 1 1.62 0.01 . 1 . . . . 210 LYS HD2 . 18495 1 33 . 1 1 6 6 LYS HD3 H 1 1.62 0.01 . 1 . . . . 210 LYS HD3 . 18495 1 34 . 1 1 6 6 LYS HE2 H 1 2.97 0.01 . 1 . . . . 210 LYS HE2 . 18495 1 35 . 1 1 6 6 LYS HE3 H 1 2.97 0.01 . 1 . . . . 210 LYS HE3 . 18495 1 36 . 1 1 7 7 TYR H H 1 8.04 0.01 . 1 . . . . 211 TYR H . 18495 1 37 . 1 1 7 7 TYR HA H 1 4.57 0.01 . 1 . . . . 211 TYR HA . 18495 1 38 . 1 1 7 7 TYR HB2 H 1 2.92 0.01 . 2 . . . . 211 TYR HB2 . 18495 1 39 . 1 1 7 7 TYR HB3 H 1 3.11 0.01 . 2 . . . . 211 TYR HB3 . 18495 1 40 . 1 1 7 7 TYR HD1 H 1 7.13 0.01 . 3 . . . . 211 TYR HD1 . 18495 1 41 . 1 1 7 7 TYR HD2 H 1 7.13 0.01 . 3 . . . . 211 TYR HD2 . 18495 1 42 . 1 1 7 7 TYR HE1 H 1 6.94 0.01 . 3 . . . . 211 TYR HE1 . 18495 1 43 . 1 1 7 7 TYR HE2 H 1 6.94 0.01 . 3 . . . . 211 TYR HE2 . 18495 1 44 . 1 1 8 8 GLY H H 1 8.20 0.01 . 1 . . . . 212 GLY H . 18495 1 45 . 1 1 8 8 GLY HA2 H 1 3.91 0.01 . 1 . . . . 212 GLY HA2 . 18495 1 46 . 1 1 8 8 GLY HA3 H 1 3.91 0.01 . 1 . . . . 212 GLY HA3 . 18495 1 47 . 1 1 9 9 ASP H H 1 8.19 0.01 . 1 . . . . 213 ASP H . 18495 1 48 . 1 1 9 9 ASP HA H 1 4.92 0.01 . 1 . . . . 213 ASP HA . 18495 1 49 . 1 1 9 9 ASP HB2 H 1 2.64 0.01 . 2 . . . . 213 ASP HB2 . 18495 1 50 . 1 1 9 9 ASP HB3 H 1 2.79 0.01 . 2 . . . . 213 ASP HB3 . 18495 1 51 . 1 1 10 10 PRO HA H 1 4.35 0.01 . 1 . . . . 214 PRO HA . 18495 1 52 . 1 1 10 10 PRO HB2 H 1 1.95 0.01 . 2 . . . . 214 PRO HB2 . 18495 1 53 . 1 1 10 10 PRO HB3 H 1 2.28 0.01 . 2 . . . . 214 PRO HB3 . 18495 1 54 . 1 1 10 10 PRO HG2 H 1 2.01 0.01 . 1 . . . . 214 PRO HG2 . 18495 1 55 . 1 1 10 10 PRO HG3 H 1 2.01 0.01 . 1 . . . . 214 PRO HG3 . 18495 1 56 . 1 1 10 10 PRO HD2 H 1 3.83 0.01 . 2 . . . . 214 PRO HD2 . 18495 1 57 . 1 1 10 10 PRO HD3 H 1 3.86 0.01 . 2 . . . . 214 PRO HD3 . 18495 1 58 . 1 1 11 11 ASP H H 1 8.35 0.01 . 1 . . . . 215 ASP H . 18495 1 59 . 1 1 11 11 ASP HA H 1 4.57 0.01 . 1 . . . . 215 ASP HA . 18495 1 60 . 1 1 11 11 ASP HB2 H 1 2.63 0.01 . 2 . . . . 215 ASP HB2 . 18495 1 61 . 1 1 11 11 ASP HB3 H 1 2.67 0.01 . 2 . . . . 215 ASP HB3 . 18495 1 62 . 1 1 12 12 HIS H H 1 8.13 0.01 . 1 . . . . 216 HIS H . 18495 1 63 . 1 1 12 12 HIS HA H 1 4.56 0.01 . 1 . . . . 216 HIS HA . 18495 1 64 . 1 1 12 12 HIS HB2 H 1 3.11 0.01 . 2 . . . . 216 HIS HB2 . 18495 1 65 . 1 1 12 12 HIS HB3 H 1 3.20 0.01 . 2 . . . . 216 HIS HB3 . 18495 1 66 . 1 1 12 12 HIS HD2 H 1 7.09 0.01 . 1 . . . . 216 HIS HD2 . 18495 1 67 . 1 1 12 12 HIS HE1 H 1 8.56 0.01 . 1 . . . . 216 HIS HE1 . 18495 1 68 . 1 1 13 13 TYR H H 1 8.21 0.01 . 1 . . . . 217 TYR H . 18495 1 69 . 1 1 13 13 TYR HA H 1 4.58 0.01 . 1 . . . . 217 TYR HA . 18495 1 70 . 1 1 13 13 TYR HB2 H 1 2.98 0.01 . 2 . . . . 217 TYR HB2 . 18495 1 71 . 1 1 13 13 TYR HB3 H 1 3.12 0.01 . 2 . . . . 217 TYR HB3 . 18495 1 72 . 1 1 13 13 TYR HD1 H 1 7.14 0.01 . 3 . . . . 217 TYR HD1 . 18495 1 73 . 1 1 13 13 TYR HD2 H 1 7.14 0.01 . 3 . . . . 217 TYR HD2 . 18495 1 74 . 1 1 13 13 TYR HE1 H 1 6.85 0.01 . 3 . . . . 217 TYR HE1 . 18495 1 75 . 1 1 13 13 TYR HE2 H 1 6.85 0.01 . 3 . . . . 217 TYR HE2 . 18495 1 76 . 1 1 14 14 SER H H 1 8.20 0.01 . 1 . . . . 218 SER H . 18495 1 77 . 1 1 14 14 SER HA H 1 4.40 0.01 . 1 . . . . 218 SER HA . 18495 1 78 . 1 1 14 14 SER HB2 H 1 3.87 0.01 . 2 . . . . 218 SER HB2 . 18495 1 79 . 1 1 14 14 SER HB3 H 1 3.90 0.01 . 2 . . . . 218 SER HB3 . 18495 1 80 . 1 1 15 15 LYS H H 1 8.23 0.01 . 1 . . . . 219 LYS H . 18495 1 81 . 1 1 15 15 LYS HA H 1 4.30 0.01 . 1 . . . . 219 LYS HA . 18495 1 82 . 1 1 15 15 LYS HB2 H 1 1.74 0.01 . 2 . . . . 219 LYS HB2 . 18495 1 83 . 1 1 15 15 LYS HB3 H 1 1.83 0.01 . 2 . . . . 219 LYS HB3 . 18495 1 84 . 1 1 15 15 LYS HG2 H 1 1.44 0.01 . 1 . . . . 219 LYS HG2 . 18495 1 85 . 1 1 15 15 LYS HG3 H 1 1.44 0.01 . 1 . . . . 219 LYS HG3 . 18495 1 86 . 1 1 15 15 LYS HD2 H 1 1.70 0.01 . 1 . . . . 219 LYS HD2 . 18495 1 87 . 1 1 15 15 LYS HD3 H 1 1.70 0.01 . 1 . . . . 219 LYS HD3 . 18495 1 88 . 1 1 15 15 LYS HE2 H 1 3.01 0.01 . 1 . . . . 219 LYS HE2 . 18495 1 89 . 1 1 15 15 LYS HE3 H 1 3.01 0.01 . 1 . . . . 219 LYS HE3 . 18495 1 90 . 1 1 16 16 ARG H H 1 8.18 0.01 . 1 . . . . 220 ARG H . 18495 1 91 . 1 1 16 16 ARG HA H 1 4.28 0.01 . 1 . . . . 220 ARG HA . 18495 1 92 . 1 1 16 16 ARG HB2 H 1 1.72 0.01 . 1 . . . . 220 ARG HB2 . 18495 1 93 . 1 1 16 16 ARG HB3 H 1 1.72 0.01 . 1 . . . . 220 ARG HB3 . 18495 1 94 . 1 1 16 16 ARG HG2 H 1 1.49 0.01 . 2 . . . . 220 ARG HG2 . 18495 1 95 . 1 1 16 16 ARG HG3 H 1 1.53 0.01 . 2 . . . . 220 ARG HG3 . 18495 1 96 . 1 1 16 16 ARG HD2 H 1 3.13 0.01 . 1 . . . . 220 ARG HD2 . 18495 1 97 . 1 1 16 16 ARG HD3 H 1 3.13 0.01 . 1 . . . . 220 ARG HD3 . 18495 1 98 . 1 1 17 17 TYR H H 1 8.32 0.01 . 1 . . . . 221 TYR H . 18495 1 99 . 1 1 17 17 TYR HA H 1 4.69 0.01 . 1 . . . . 221 TYR HA . 18495 1 100 . 1 1 17 17 TYR HB2 H 1 2.97 0.01 . 2 . . . . 221 TYR HB2 . 18495 1 101 . 1 1 17 17 TYR HB3 H 1 3.07 0.01 . 2 . . . . 221 TYR HB3 . 18495 1 102 . 1 1 17 17 TYR HD1 H 1 7.13 0.01 . 3 . . . . 221 TYR HD1 . 18495 1 103 . 1 1 17 17 TYR HD2 H 1 7.13 0.01 . 3 . . . . 221 TYR HD2 . 18495 1 104 . 1 1 17 17 TYR HE1 H 1 6.82 0.01 . 3 . . . . 221 TYR HE1 . 18495 1 105 . 1 1 17 17 TYR HE2 H 1 6.82 0.01 . 3 . . . . 221 TYR HE2 . 18495 1 106 . 1 1 18 18 THR H H 1 8.17 0.01 . 1 . . . . 222 THR H . 18495 1 107 . 1 1 18 18 THR HA H 1 4.36 0.01 . 1 . . . . 222 THR HA . 18495 1 108 . 1 1 18 18 THR HB H 1 4.27 0.01 . 1 . . . . 222 THR HB . 18495 1 109 . 1 1 18 18 THR HG21 H 1 1.19 0.01 . 1 . . . . 222 THR QG2 . 18495 1 110 . 1 1 18 18 THR HG22 H 1 1.19 0.01 . 1 . . . . 222 THR QG2 . 18495 1 111 . 1 1 18 18 THR HG23 H 1 1.19 0.01 . 1 . . . . 222 THR QG2 . 18495 1 112 . 1 1 19 19 GLY H H 1 7.80 0.01 . 1 . . . . 223 GLY H . 18495 1 113 . 1 1 19 19 GLY HA2 H 1 4.02 0.01 . 1 . . . . 223 GLY HA2 . 18495 1 114 . 1 1 19 19 GLY HA3 H 1 4.02 0.01 . 1 . . . . 223 GLY HA3 . 18495 1 115 . 1 1 20 20 THR H H 1 8.13 0.01 . 1 . . . . 224 THR H . 18495 1 116 . 1 1 20 20 THR HA H 1 4.38 0.01 . 1 . . . . 224 THR HA . 18495 1 117 . 1 1 20 20 THR HB H 1 4.27 0.01 . 1 . . . . 224 THR HB . 18495 1 118 . 1 1 20 20 THR HG21 H 1 1.23 0.01 . 1 . . . . 224 THR QG2 . 18495 1 119 . 1 1 20 20 THR HG22 H 1 1.23 0.01 . 1 . . . . 224 THR QG2 . 18495 1 120 . 1 1 20 20 THR HG23 H 1 1.23 0.01 . 1 . . . . 224 THR QG2 . 18495 1 121 . 1 1 21 21 GLN H H 1 8.52 0.01 . 1 . . . . 225 GLN H . 18495 1 122 . 1 1 21 21 GLN HA H 1 4.38 0.01 . 1 . . . . 225 GLN HA . 18495 1 123 . 1 1 21 21 GLN HB2 H 1 2.01 0.01 . 2 . . . . 225 GLN HB2 . 18495 1 124 . 1 1 21 21 GLN HB3 H 1 2.14 0.01 . 2 . . . . 225 GLN HB3 . 18495 1 125 . 1 1 21 21 GLN HG2 H 1 2.36 0.01 . 1 . . . . 225 GLN HG2 . 18495 1 126 . 1 1 21 21 GLN HG3 H 1 2.36 0.01 . 1 . . . . 225 GLN HG3 . 18495 1 127 . 1 1 21 21 GLN HE21 H 1 6.86 0.01 . 2 . . . . 225 GLN HE21 . 18495 1 128 . 1 1 21 21 GLN HE22 H 1 7.53 0.01 . 2 . . . . 225 GLN HE22 . 18495 1 129 . 1 1 22 22 ASP H H 1 8.43 0.01 . 1 . . . . 226 ASP H . 18495 1 130 . 1 1 22 22 ASP HA H 1 4.65 0.01 . 1 . . . . 226 ASP HA . 18495 1 131 . 1 1 22 22 ASP HB2 H 1 2.68 0.01 . 2 . . . . 226 ASP HB2 . 18495 1 132 . 1 1 22 22 ASP HB3 H 1 2.77 0.01 . 2 . . . . 226 ASP HB3 . 18495 1 133 . 1 1 23 23 ASN H H 1 8.50 0.01 . 1 . . . . 227 ASN H . 18495 1 134 . 1 1 23 23 ASN HA H 1 4.75 0.01 . 1 . . . . 227 ASN HA . 18495 1 135 . 1 1 23 23 ASN HB2 H 1 2.83 0.01 . 2 . . . . 227 ASN HB2 . 18495 1 136 . 1 1 23 23 ASN HB3 H 1 2.90 0.01 . 2 . . . . 227 ASN HB3 . 18495 1 137 . 1 1 23 23 ASN HD21 H 1 6.92 0.01 . 2 . . . . 227 ASN HD21 . 18495 1 138 . 1 1 23 23 ASN HD22 H 1 7.62 0.01 . 2 . . . . 227 ASN HD22 . 18495 1 139 . 1 1 24 24 GLY H H 1 8.54 0.01 . 1 . . . . 228 GLY H . 18495 1 140 . 1 1 24 24 GLY HA2 H 1 3.99 0.01 . 1 . . . . 228 GLY HA2 . 18495 1 141 . 1 1 24 24 GLY HA3 H 1 3.99 0.01 . 1 . . . . 228 GLY HA3 . 18495 1 142 . 1 1 25 25 GLY H H 1 8.24 0.01 . 1 . . . . 229 GLY H . 18495 1 143 . 1 1 25 25 GLY HA2 H 1 3.97 0.01 . 1 . . . . 229 GLY HA2 . 18495 1 144 . 1 1 25 25 GLY HA3 H 1 3.97 0.01 . 1 . . . . 229 GLY HA3 . 18495 1 145 . 1 1 26 26 VAL H H 1 7.94 0.01 . 1 . . . . 230 VAL H . 18495 1 146 . 1 1 26 26 VAL HA H 1 4.07 0.01 . 1 . . . . 230 VAL HA . 18495 1 147 . 1 1 26 26 VAL HB H 1 2.02 0.01 . 1 . . . . 230 VAL HB . 18495 1 148 . 1 1 26 26 VAL HG11 H 1 0.89 0.01 . 1 . . . . 230 VAL QG1 . 18495 1 149 . 1 1 26 26 VAL HG12 H 1 0.89 0.01 . 1 . . . . 230 VAL QG1 . 18495 1 150 . 1 1 26 26 VAL HG13 H 1 0.89 0.01 . 1 . . . . 230 VAL QG1 . 18495 1 151 . 1 1 26 26 VAL HG21 H 1 0.89 0.01 . 1 . . . . 230 VAL QG2 . 18495 1 152 . 1 1 26 26 VAL HG22 H 1 0.89 0.01 . 1 . . . . 230 VAL QG2 . 18495 1 153 . 1 1 26 26 VAL HG23 H 1 0.89 0.01 . 1 . . . . 230 VAL QG2 . 18495 1 154 . 1 1 27 27 HIS H H 1 8.70 0.01 . 1 . . . . 231 HIS H . 18495 1 155 . 1 1 27 27 HIS HA H 1 4.81 0.01 . 1 . . . . 231 HIS HA . 18495 1 156 . 1 1 27 27 HIS HB2 H 1 3.17 0.01 . 2 . . . . 231 HIS HB2 . 18495 1 157 . 1 1 27 27 HIS HB3 H 1 3.26 0.01 . 2 . . . . 231 HIS HB3 . 18495 1 158 . 1 1 27 27 HIS HD2 H 1 7.28 0.01 . 1 . . . . 231 HIS HD2 . 18495 1 159 . 1 1 27 27 HIS HE1 H 1 8.62 0.01 . 1 . . . . 231 HIS HE1 . 18495 1 160 . 1 1 28 28 ILE H H 1 8.29 0.01 . 1 . . . . 232 ILE H . 18495 1 161 . 1 1 28 28 ILE HA H 1 4.19 0.01 . 1 . . . . 232 ILE HA . 18495 1 162 . 1 1 28 28 ILE HB H 1 1.84 0.01 . 1 . . . . 232 ILE HB . 18495 1 163 . 1 1 28 28 ILE HG12 H 1 1.17 0.01 . 2 . . . . 232 ILE HG12 . 18495 1 164 . 1 1 28 28 ILE HG13 H 1 1.41 0.01 . 2 . . . . 232 ILE HG13 . 18495 1 165 . 1 1 28 28 ILE HG21 H 1 0.91 0.01 . 1 . . . . 232 ILE QG2 . 18495 1 166 . 1 1 28 28 ILE HG22 H 1 0.91 0.01 . 1 . . . . 232 ILE QG2 . 18495 1 167 . 1 1 28 28 ILE HG23 H 1 0.91 0.01 . 1 . . . . 232 ILE QG2 . 18495 1 168 . 1 1 28 28 ILE HD11 H 1 0.86 0.01 . 1 . . . . 232 ILE QD1 . 18495 1 169 . 1 1 28 28 ILE HD12 H 1 0.86 0.01 . 1 . . . . 232 ILE QD1 . 18495 1 170 . 1 1 28 28 ILE HD13 H 1 0.86 0.01 . 1 . . . . 232 ILE QD1 . 18495 1 171 . 1 1 29 29 ASN H H 1 8.66 0.01 . 1 . . . . 233 ASN H . 18495 1 172 . 1 1 29 29 ASN HA H 1 4.81 0.01 . 1 . . . . 233 ASN HA . 18495 1 173 . 1 1 29 29 ASN HB2 H 1 2.81 0.01 . 2 . . . . 233 ASN HB2 . 18495 1 174 . 1 1 29 29 ASN HB3 H 1 2.90 0.01 . 2 . . . . 233 ASN HB3 . 18495 1 175 . 1 1 29 29 ASN HD21 H 1 6.98 0.01 . 2 . . . . 233 ASN HD21 . 18495 1 176 . 1 1 29 29 ASN HD22 H 1 7.67 0.01 . 2 . . . . 233 ASN HD22 . 18495 1 177 . 1 1 30 30 SER H H 1 8.40 0.01 . 1 . . . . 234 SER H . 18495 1 178 . 1 1 30 30 SER HA H 1 4.43 0.01 . 1 . . . . 234 SER HA . 18495 1 179 . 1 1 30 30 SER HB2 H 1 3.89 0.01 . 2 . . . . 234 SER HB2 . 18495 1 180 . 1 1 30 30 SER HB3 H 1 3.95 0.01 . 2 . . . . 234 SER HB3 . 18495 1 181 . 1 1 31 31 GLY H H 1 8.48 0.01 . 1 . . . . 235 GLY H . 18495 1 182 . 1 1 31 31 GLY HA2 H 1 3.99 0.01 . 1 . . . . 235 GLY HA2 . 18495 1 183 . 1 1 31 31 GLY HA3 H 1 3.99 0.01 . 1 . . . . 235 GLY HA3 . 18495 1 184 . 1 1 32 32 ILE H H 1 7.93 0.01 . 1 . . . . 236 ILE H . 18495 1 185 . 1 1 32 32 ILE HA H 1 4.17 0.01 . 1 . . . . 236 ILE HA . 18495 1 186 . 1 1 32 32 ILE HB H 1 1.86 0.01 . 1 . . . . 236 ILE HB . 18495 1 187 . 1 1 32 32 ILE HG12 H 1 1.17 0.01 . 2 . . . . 236 ILE HG12 . 18495 1 188 . 1 1 32 32 ILE HG13 H 1 1.46 0.01 . 2 . . . . 236 ILE HG13 . 18495 1 189 . 1 1 32 32 ILE HG21 H 1 0.89 0.01 . 1 . . . . 236 ILE QG2 . 18495 1 190 . 1 1 32 32 ILE HG22 H 1 0.89 0.01 . 1 . . . . 236 ILE QG2 . 18495 1 191 . 1 1 32 32 ILE HG23 H 1 0.89 0.01 . 1 . . . . 236 ILE QG2 . 18495 1 192 . 1 1 32 32 ILE HD11 H 1 0.78 0.01 . 1 . . . . 236 ILE QD1 . 18495 1 193 . 1 1 32 32 ILE HD12 H 1 0.78 0.01 . 1 . . . . 236 ILE QD1 . 18495 1 194 . 1 1 32 32 ILE HD13 H 1 0.78 0.01 . 1 . . . . 236 ILE QD1 . 18495 1 195 . 1 1 33 33 ILE H H 1 8.21 0.01 . 1 . . . . 237 ILE H . 18495 1 196 . 1 1 33 33 ILE HA H 1 4.16 0.01 . 1 . . . . 237 ILE HA . 18495 1 197 . 1 1 33 33 ILE HB H 1 1.86 0.01 . 1 . . . . 237 ILE HB . 18495 1 198 . 1 1 33 33 ILE HG12 H 1 1.21 0.01 . 2 . . . . 237 ILE HG12 . 18495 1 199 . 1 1 33 33 ILE HG13 H 1 1.48 0.01 . 2 . . . . 237 ILE HG13 . 18495 1 200 . 1 1 33 33 ILE HG21 H 1 0.89 0.01 . 1 . . . . 237 ILE QG2 . 18495 1 201 . 1 1 33 33 ILE HG22 H 1 0.89 0.01 . 1 . . . . 237 ILE QG2 . 18495 1 202 . 1 1 33 33 ILE HG23 H 1 0.89 0.01 . 1 . . . . 237 ILE QG2 . 18495 1 203 . 1 1 33 33 ILE HD11 H 1 0.85 0.01 . 1 . . . . 237 ILE QD1 . 18495 1 204 . 1 1 33 33 ILE HD12 H 1 0.85 0.01 . 1 . . . . 237 ILE QD1 . 18495 1 205 . 1 1 33 33 ILE HD13 H 1 0.85 0.01 . 1 . . . . 237 ILE QD1 . 18495 1 206 . 1 1 34 34 ASN H H 1 8.48 0.01 . 1 . . . . 238 ASN H . 18495 1 207 . 1 1 34 34 ASN HA H 1 4.74 0.01 . 1 . . . . 238 ASN HA . 18495 1 208 . 1 1 34 34 ASN HB2 H 1 2.78 0.01 . 2 . . . . 238 ASN HB2 . 18495 1 209 . 1 1 34 34 ASN HB3 H 1 2.88 0.01 . 2 . . . . 238 ASN HB3 . 18495 1 210 . 1 1 34 34 ASN HD21 H 1 6.94 0.01 . 2 . . . . 238 ASN HD21 . 18495 1 211 . 1 1 34 34 ASN HD22 H 1 7.64 0.01 . 2 . . . . 238 ASN HD22 . 18495 1 212 . 1 1 35 35 LYS H H 1 8.37 0.01 . 1 . . . . 239 LYS H . 18495 1 213 . 1 1 35 35 LYS HA H 1 4.22 0.01 . 1 . . . . 239 LYS HA . 18495 1 214 . 1 1 35 35 LYS HB2 H 1 1.77 0.01 . 2 . . . . 239 LYS HB2 . 18495 1 215 . 1 1 35 35 LYS HB3 H 1 1.87 0.01 . 2 . . . . 239 LYS HB3 . 18495 1 216 . 1 1 35 35 LYS HG2 H 1 1.43 0.01 . 2 . . . . 239 LYS HG2 . 18495 1 217 . 1 1 35 35 LYS HG3 H 1 1.49 0.01 . 2 . . . . 239 LYS HG3 . 18495 1 218 . 1 1 35 35 LYS HD2 H 1 1.70 0.01 . 1 . . . . 239 LYS HD2 . 18495 1 219 . 1 1 35 35 LYS HD3 H 1 1.70 0.01 . 1 . . . . 239 LYS HD3 . 18495 1 220 . 1 1 35 35 LYS HE2 H 1 3.01 0.01 . 1 . . . . 239 LYS HE2 . 18495 1 221 . 1 1 35 35 LYS HE3 H 1 3.01 0.01 . 1 . . . . 239 LYS HE3 . 18495 1 222 . 1 1 36 36 ALA H H 1 8.24 0.01 . 1 . . . . 240 ALA H . 18495 1 223 . 1 1 36 36 ALA HA H 1 4.25 0.01 . 1 . . . . 240 ALA HA . 18495 1 224 . 1 1 36 36 ALA HB1 H 1 1.38 0.01 . 1 . . . . 240 ALA QB . 18495 1 225 . 1 1 36 36 ALA HB2 H 1 1.38 0.01 . 1 . . . . 240 ALA QB . 18495 1 226 . 1 1 36 36 ALA HB3 H 1 1.38 0.01 . 1 . . . . 240 ALA QB . 18495 1 227 . 1 1 37 37 ALA H H 1 8.08 0.01 . 1 . . . . 241 ALA H . 18495 1 228 . 1 1 37 37 ALA HA H 1 4.21 0.01 . 1 . . . . 241 ALA HA . 18495 1 229 . 1 1 37 37 ALA HB1 H 1 1.36 0.01 . 1 . . . . 241 ALA QB . 18495 1 230 . 1 1 37 37 ALA HB2 H 1 1.36 0.01 . 1 . . . . 241 ALA QB . 18495 1 231 . 1 1 37 37 ALA HB3 H 1 1.36 0.01 . 1 . . . . 241 ALA QB . 18495 1 232 . 1 1 38 38 TYR H H 1 7.92 0.01 . 1 . . . . 242 TYR H . 18495 1 233 . 1 1 38 38 TYR HA H 1 4.53 0.01 . 1 . . . . 242 TYR HA . 18495 1 234 . 1 1 38 38 TYR HB2 H 1 3.02 0.01 . 2 . . . . 242 TYR HB2 . 18495 1 235 . 1 1 38 38 TYR HB3 H 1 3.08 0.01 . 2 . . . . 242 TYR HB3 . 18495 1 236 . 1 1 38 38 TYR HD1 H 1 7.10 0.01 . 3 . . . . 242 TYR HD1 . 18495 1 237 . 1 1 38 38 TYR HD2 H 1 7.10 0.01 . 3 . . . . 242 TYR HD2 . 18495 1 238 . 1 1 38 38 TYR HE1 H 1 6.82 0.01 . 3 . . . . 242 TYR HE1 . 18495 1 239 . 1 1 38 38 TYR HE2 H 1 6.82 0.01 . 3 . . . . 242 TYR HE2 . 18495 1 240 . 1 1 39 39 LEU H H 1 7.99 0.01 . 1 . . . . 243 LEU H . 18495 1 241 . 1 1 39 39 LEU HA H 1 4.29 0.01 . 1 . . . . 243 LEU HA . 18495 1 242 . 1 1 39 39 LEU HB2 H 1 1.64 0.01 . 1 . . . . 243 LEU HB2 . 18495 1 243 . 1 1 39 39 LEU HB3 H 1 1.64 0.01 . 1 . . . . 243 LEU HB3 . 18495 1 244 . 1 1 39 39 LEU HG H 1 1.54 0.01 . 1 . . . . 243 LEU HG . 18495 1 245 . 1 1 39 39 LEU HD11 H 1 0.86 0.01 . 2 . . . . 243 LEU QD1 . 18495 1 246 . 1 1 39 39 LEU HD12 H 1 0.86 0.01 . 2 . . . . 243 LEU QD1 . 18495 1 247 . 1 1 39 39 LEU HD13 H 1 0.86 0.01 . 2 . . . . 243 LEU QD1 . 18495 1 248 . 1 1 39 39 LEU HD21 H 1 0.90 0.01 . 2 . . . . 243 LEU QD2 . 18495 1 249 . 1 1 39 39 LEU HD22 H 1 0.90 0.01 . 2 . . . . 243 LEU QD2 . 18495 1 250 . 1 1 39 39 LEU HD23 H 1 0.90 0.01 . 2 . . . . 243 LEU QD2 . 18495 1 251 . 1 1 40 40 ILE H H 1 7.99 0.01 . 1 . . . . 244 ILE H . 18495 1 252 . 1 1 40 40 ILE HA H 1 4.13 0.01 . 1 . . . . 244 ILE HA . 18495 1 253 . 1 1 40 40 ILE HB H 1 1.88 0.01 . 1 . . . . 244 ILE HB . 18495 1 254 . 1 1 40 40 ILE HG12 H 1 1.21 0.01 . 2 . . . . 244 ILE HG12 . 18495 1 255 . 1 1 40 40 ILE HG13 H 1 1.50 0.01 . 2 . . . . 244 ILE HG13 . 18495 1 256 . 1 1 40 40 ILE HG21 H 1 0.93 0.01 . 1 . . . . 244 ILE QG2 . 18495 1 257 . 1 1 40 40 ILE HG22 H 1 0.93 0.01 . 1 . . . . 244 ILE QG2 . 18495 1 258 . 1 1 40 40 ILE HG23 H 1 0.93 0.01 . 1 . . . . 244 ILE QG2 . 18495 1 259 . 1 1 41 41 SER H H 1 8.26 0.01 . 1 . . . . 245 SER H . 18495 1 260 . 1 1 41 41 SER HA H 1 4.46 0.01 . 1 . . . . 245 SER HA . 18495 1 261 . 1 1 41 41 SER HB2 H 1 3.88 0.01 . 2 . . . . 245 SER HB2 . 18495 1 262 . 1 1 41 41 SER HB3 H 1 3.93 0.01 . 2 . . . . 245 SER HB3 . 18495 1 263 . 1 1 42 42 GLN H H 1 8.35 0.01 . 1 . . . . 246 GLN H . 18495 1 264 . 1 1 42 42 GLN HA H 1 4.36 0.01 . 1 . . . . 246 GLN HA . 18495 1 265 . 1 1 42 42 GLN HB2 H 1 2.00 0.01 . 2 . . . . 246 GLN HB2 . 18495 1 266 . 1 1 42 42 GLN HB3 H 1 2.18 0.01 . 2 . . . . 246 GLN HB3 . 18495 1 267 . 1 1 42 42 GLN HG2 H 1 2.35 0.01 . 1 . . . . 246 GLN HG2 . 18495 1 268 . 1 1 42 42 GLN HG3 H 1 2.35 0.01 . 1 . . . . 246 GLN HG3 . 18495 1 269 . 1 1 42 42 GLN HE21 H 1 6.86 0.01 . 2 . . . . 246 GLN HE21 . 18495 1 270 . 1 1 42 42 GLN HE22 H 1 7.46 0.01 . 2 . . . . 246 GLN HE22 . 18495 1 271 . 1 1 43 43 GLY H H 1 8.37 0.01 . 1 . . . . 247 GLY H . 18495 1 272 . 1 1 43 43 GLY HA2 H 1 4.01 0.01 . 1 . . . . 247 GLY HA2 . 18495 1 273 . 1 1 43 43 GLY HA3 H 1 4.01 0.01 . 1 . . . . 247 GLY HA3 . 18495 1 274 . 1 1 44 44 GLY H H 1 8.28 0.01 . 1 . . . . 248 GLY H . 18495 1 275 . 1 1 44 44 GLY HA2 H 1 4.01 0.01 . 1 . . . . 248 GLY HA2 . 18495 1 276 . 1 1 44 44 GLY HA3 H 1 4.01 0.01 . 1 . . . . 248 GLY HA3 . 18495 1 277 . 1 1 45 45 THR H H 1 8.07 0.01 . 1 . . . . 249 THR H . 18495 1 278 . 1 1 45 45 THR HA H 1 4.26 0.01 . 1 . . . . 249 THR HA . 18495 1 279 . 1 1 45 45 THR HB H 1 4.07 0.01 . 1 . . . . 249 THR HB . 18495 1 280 . 1 1 45 45 THR HG21 H 1 1.09 0.01 . 1 . . . . 249 THR QG2 . 18495 1 281 . 1 1 45 45 THR HG22 H 1 1.09 0.01 . 1 . . . . 249 THR QG2 . 18495 1 282 . 1 1 45 45 THR HG23 H 1 1.09 0.01 . 1 . . . . 249 THR QG2 . 18495 1 283 . 1 1 46 46 HIS H H 1 8.53 0.01 . 1 . . . . 250 HIS H . 18495 1 284 . 1 1 46 46 HIS HA H 1 4.71 0.01 . 1 . . . . 250 HIS HA . 18495 1 285 . 1 1 46 46 HIS HB2 H 1 3.08 0.01 . 2 . . . . 250 HIS HB2 . 18495 1 286 . 1 1 46 46 HIS HB3 H 1 3.20 0.01 . 2 . . . . 250 HIS HB3 . 18495 1 287 . 1 1 46 46 HIS HD2 H 1 7.21 0.01 . 1 . . . . 250 HIS HD2 . 18495 1 288 . 1 1 46 46 HIS HE1 H 1 8.56 0.01 . 1 . . . . 250 HIS HE1 . 18495 1 289 . 1 1 47 47 TYR H H 1 8.32 0.01 . 1 . . . . 251 TYR H . 18495 1 290 . 1 1 47 47 TYR HA H 1 4.58 0.01 . 1 . . . . 251 TYR HA . 18495 1 291 . 1 1 47 47 TYR HB2 H 1 2.92 0.01 . 2 . . . . 251 TYR HB2 . 18495 1 292 . 1 1 47 47 TYR HB3 H 1 3.08 0.01 . 2 . . . . 251 TYR HB3 . 18495 1 293 . 1 1 47 47 TYR HD1 H 1 7.12 0.01 . 3 . . . . 251 TYR HD1 . 18495 1 294 . 1 1 47 47 TYR HD2 H 1 7.12 0.01 . 3 . . . . 251 TYR HD2 . 18495 1 295 . 1 1 47 47 TYR HE1 H 1 6.83 0.01 . 3 . . . . 251 TYR HE1 . 18495 1 296 . 1 1 47 47 TYR HE2 H 1 6.83 0.01 . 3 . . . . 251 TYR HE2 . 18495 1 297 . 1 1 48 48 GLY H H 1 8.39 0.01 . 1 . . . . 252 GLY H . 18495 1 298 . 1 1 48 48 GLY HA2 H 1 3.94 0.01 . 1 . . . . 252 GLY HA2 . 18495 1 299 . 1 1 48 48 GLY HA3 H 1 3.94 0.01 . 1 . . . . 252 GLY HA3 . 18495 1 300 . 1 1 49 49 VAL H H 1 7.98 0.01 . 1 . . . . 253 VAL H . 18495 1 301 . 1 1 49 49 VAL HA H 1 4.18 0.01 . 1 . . . . 253 VAL HA . 18495 1 302 . 1 1 49 49 VAL HB H 1 2.09 0.01 . 1 . . . . 253 VAL HB . 18495 1 303 . 1 1 49 49 VAL HG11 H 1 0.93 0.01 . 1 . . . . 253 VAL QG1 . 18495 1 304 . 1 1 49 49 VAL HG12 H 1 0.93 0.01 . 1 . . . . 253 VAL QG1 . 18495 1 305 . 1 1 49 49 VAL HG13 H 1 0.93 0.01 . 1 . . . . 253 VAL QG1 . 18495 1 306 . 1 1 49 49 VAL HG21 H 1 0.93 0.01 . 1 . . . . 253 VAL QG2 . 18495 1 307 . 1 1 49 49 VAL HG22 H 1 0.93 0.01 . 1 . . . . 253 VAL QG2 . 18495 1 308 . 1 1 49 49 VAL HG23 H 1 0.93 0.01 . 1 . . . . 253 VAL QG2 . 18495 1 309 . 1 1 50 50 SER H H 1 8.43 0.01 . 1 . . . . 254 SER H . 18495 1 310 . 1 1 50 50 SER HA H 1 4.53 0.01 . 1 . . . . 254 SER HA . 18495 1 311 . 1 1 50 50 SER HB2 H 1 3.84 0.01 . 1 . . . . 254 SER HB2 . 18495 1 312 . 1 1 50 50 SER HB3 H 1 3.84 0.01 . 1 . . . . 254 SER HB3 . 18495 1 313 . 1 1 51 51 VAL H H 1 8.25 0.01 . 1 . . . . 255 VAL H . 18495 1 314 . 1 1 51 51 VAL HA H 1 4.14 0.01 . 1 . . . . 255 VAL HA . 18495 1 315 . 1 1 51 51 VAL HB H 1 2.08 0.01 . 1 . . . . 255 VAL HB . 18495 1 316 . 1 1 51 51 VAL HG11 H 1 0.91 0.01 . 1 . . . . 255 VAL QG1 . 18495 1 317 . 1 1 51 51 VAL HG12 H 1 0.91 0.01 . 1 . . . . 255 VAL QG1 . 18495 1 318 . 1 1 51 51 VAL HG13 H 1 0.91 0.01 . 1 . . . . 255 VAL QG1 . 18495 1 319 . 1 1 51 51 VAL HG21 H 1 0.91 0.01 . 1 . . . . 255 VAL QG2 . 18495 1 320 . 1 1 51 51 VAL HG22 H 1 0.91 0.01 . 1 . . . . 255 VAL QG2 . 18495 1 321 . 1 1 51 51 VAL HG23 H 1 0.91 0.01 . 1 . . . . 255 VAL QG2 . 18495 1 322 . 1 1 52 52 VAL H H 1 8.22 0.01 . 1 . . . . 256 VAL H . 18495 1 323 . 1 1 52 52 VAL HA H 1 4.06 0.01 . 1 . . . . 256 VAL HA . 18495 1 324 . 1 1 52 52 VAL HB H 1 2.04 0.01 . 1 . . . . 256 VAL HB . 18495 1 325 . 1 1 52 52 VAL HG11 H 1 0.93 0.01 . 1 . . . . 256 VAL QG1 . 18495 1 326 . 1 1 52 52 VAL HG12 H 1 0.93 0.01 . 1 . . . . 256 VAL QG1 . 18495 1 327 . 1 1 52 52 VAL HG13 H 1 0.93 0.01 . 1 . . . . 256 VAL QG1 . 18495 1 328 . 1 1 52 52 VAL HG21 H 1 0.93 0.01 . 1 . . . . 256 VAL QG2 . 18495 1 329 . 1 1 52 52 VAL HG22 H 1 0.93 0.01 . 1 . . . . 256 VAL QG2 . 18495 1 330 . 1 1 52 52 VAL HG23 H 1 0.93 0.01 . 1 . . . . 256 VAL QG2 . 18495 1 331 . 1 1 53 53 GLY H H 1 8.40 0.01 . 1 . . . . 257 GLY H . 18495 1 332 . 1 1 53 53 GLY HA2 H 1 3.87 0.01 . 2 . . . . 257 GLY HA2 . 18495 1 333 . 1 1 53 53 GLY HA3 H 1 4.05 0.01 . 2 . . . . 257 GLY HA3 . 18495 1 334 . 1 1 54 54 ILE H H 1 7.77 0.01 . 1 . . . . 258 ILE H . 18495 1 335 . 1 1 54 54 ILE HA H 1 4.35 0.01 . 1 . . . . 258 ILE HA . 18495 1 336 . 1 1 54 54 ILE HB H 1 1.87 0.01 . 1 . . . . 258 ILE HB . 18495 1 337 . 1 1 54 54 ILE HG12 H 1 1.38 0.01 . 2 . . . . 258 ILE HG12 . 18495 1 338 . 1 1 54 54 ILE HG13 H 1 1.57 0.01 . 2 . . . . 258 ILE HG13 . 18495 1 339 . 1 1 54 54 ILE HG21 H 1 0.89 0.01 . 1 . . . . 258 ILE QG2 . 18495 1 340 . 1 1 54 54 ILE HG22 H 1 0.89 0.01 . 1 . . . . 258 ILE QG2 . 18495 1 341 . 1 1 54 54 ILE HG23 H 1 0.89 0.01 . 1 . . . . 258 ILE QG2 . 18495 1 342 . 1 1 54 54 ILE HD11 H 1 0.77 0.01 . 1 . . . . 258 ILE QD1 . 18495 1 343 . 1 1 54 54 ILE HD12 H 1 0.77 0.01 . 1 . . . . 258 ILE QD1 . 18495 1 344 . 1 1 54 54 ILE HD13 H 1 0.77 0.01 . 1 . . . . 258 ILE QD1 . 18495 1 345 . 1 1 55 55 GLY H H 1 8.56 0.01 . 1 . . . . 259 GLY H . 18495 1 346 . 1 1 55 55 GLY HA2 H 1 3.93 0.01 . 2 . . . . 259 GLY HA2 . 18495 1 347 . 1 1 55 55 GLY HA3 H 1 3.96 0.01 . 2 . . . . 259 GLY HA3 . 18495 1 348 . 1 1 56 56 ARG H H 1 9.09 0.01 . 1 . . . . 260 ARG H . 18495 1 349 . 1 1 56 56 ARG HA H 1 4.04 0.01 . 1 . . . . 260 ARG HA . 18495 1 350 . 1 1 56 56 ARG HB2 H 1 1.86 0.01 . 2 . . . . 260 ARG HB2 . 18495 1 351 . 1 1 56 56 ARG HB3 H 1 2.09 0.01 . 2 . . . . 260 ARG HB3 . 18495 1 352 . 1 1 56 56 ARG HG2 H 1 1.64 0.01 . 1 . . . . 260 ARG HG2 . 18495 1 353 . 1 1 56 56 ARG HG3 H 1 1.64 0.01 . 1 . . . . 260 ARG HG3 . 18495 1 354 . 1 1 56 56 ARG HD2 H 1 2.84 0.01 . 2 . . . . 260 ARG HD2 . 18495 1 355 . 1 1 56 56 ARG HD3 H 1 3.13 0.01 . 2 . . . . 260 ARG HD3 . 18495 1 356 . 1 1 57 57 ASP H H 1 9.14 0.01 . 1 . . . . 261 ASP H . 18495 1 357 . 1 1 57 57 ASP HA H 1 4.01 0.01 . 1 . . . . 261 ASP HA . 18495 1 358 . 1 1 57 57 ASP HB2 H 1 2.64 0.01 . 2 . . . . 261 ASP HB2 . 18495 1 359 . 1 1 57 57 ASP HB3 H 1 2.78 0.01 . 2 . . . . 261 ASP HB3 . 18495 1 360 . 1 1 58 58 LYS H H 1 7.54 0.01 . 1 . . . . 262 LYS H . 18495 1 361 . 1 1 58 58 LYS HA H 1 4.20 0.01 . 1 . . . . 262 LYS HA . 18495 1 362 . 1 1 58 58 LYS HB2 H 1 1.98 0.01 . 1 . . . . 262 LYS HB2 . 18495 1 363 . 1 1 58 58 LYS HB3 H 1 1.98 0.01 . 1 . . . . 262 LYS HB3 . 18495 1 364 . 1 1 58 58 LYS HG2 H 1 1.43 0.01 . 1 . . . . 262 LYS HG2 . 18495 1 365 . 1 1 58 58 LYS HG3 H 1 1.43 0.01 . 1 . . . . 262 LYS HG3 . 18495 1 366 . 1 1 58 58 LYS HD2 H 1 1.61 0.01 . 1 . . . . 262 LYS HD2 . 18495 1 367 . 1 1 58 58 LYS HD3 H 1 1.61 0.01 . 1 . . . . 262 LYS HD3 . 18495 1 368 . 1 1 58 58 LYS HE2 H 1 3.02 0.01 . 1 . . . . 262 LYS HE2 . 18495 1 369 . 1 1 58 58 LYS HE3 H 1 3.02 0.01 . 1 . . . . 262 LYS HE3 . 18495 1 370 . 1 1 59 59 LEU H H 1 8.08 0.01 . 1 . . . . 263 LEU H . 18495 1 371 . 1 1 59 59 LEU HA H 1 4.20 0.01 . 1 . . . . 263 LEU HA . 18495 1 372 . 1 1 59 59 LEU HB2 H 1 2.00 0.01 . 1 . . . . 263 LEU HB2 . 18495 1 373 . 1 1 59 59 LEU HB3 H 1 2.00 0.01 . 1 . . . . 263 LEU HB3 . 18495 1 374 . 1 1 59 59 LEU HG H 1 1.78 0.01 . 1 . . . . 263 LEU HG . 18495 1 375 . 1 1 59 59 LEU HD11 H 1 1.09 0.01 . 2 . . . . 263 LEU QD1 . 18495 1 376 . 1 1 59 59 LEU HD12 H 1 1.09 0.01 . 2 . . . . 263 LEU QD1 . 18495 1 377 . 1 1 59 59 LEU HD13 H 1 1.09 0.01 . 2 . . . . 263 LEU QD1 . 18495 1 378 . 1 1 59 59 LEU HD21 H 1 1.12 0.01 . 2 . . . . 263 LEU QD2 . 18495 1 379 . 1 1 59 59 LEU HD22 H 1 1.12 0.01 . 2 . . . . 263 LEU QD2 . 18495 1 380 . 1 1 59 59 LEU HD23 H 1 1.12 0.01 . 2 . . . . 263 LEU QD2 . 18495 1 381 . 1 1 60 60 GLY H H 1 8.79 0.01 . 1 . . . . 264 GLY H . 18495 1 382 . 1 1 60 60 GLY HA2 H 1 4.00 0.01 . 2 . . . . 264 GLY HA2 . 18495 1 383 . 1 1 60 60 GLY HA3 H 1 4.04 0.01 . 2 . . . . 264 GLY HA3 . 18495 1 384 . 1 1 61 61 LYS H H 1 8.33 0.01 . 1 . . . . 265 LYS H . 18495 1 385 . 1 1 61 61 LYS HA H 1 4.02 0.01 . 1 . . . . 265 LYS HA . 18495 1 386 . 1 1 61 61 LYS HB2 H 1 2.00 0.01 . 2 . . . . 265 LYS HB2 . 18495 1 387 . 1 1 61 61 LYS HB3 H 1 2.24 0.01 . 2 . . . . 265 LYS HB3 . 18495 1 388 . 1 1 61 61 LYS HG2 H 1 1.51 0.01 . 1 . . . . 265 LYS HG2 . 18495 1 389 . 1 1 61 61 LYS HG3 H 1 1.51 0.01 . 1 . . . . 265 LYS HG3 . 18495 1 390 . 1 1 61 61 LYS HD2 H 1 1.77 0.01 . 1 . . . . 265 LYS HD2 . 18495 1 391 . 1 1 61 61 LYS HD3 H 1 1.77 0.01 . 1 . . . . 265 LYS HD3 . 18495 1 392 . 1 1 61 61 LYS HE2 H 1 2.94 0.01 . 2 . . . . 265 LYS HE2 . 18495 1 393 . 1 1 61 61 LYS HE3 H 1 3.00 0.01 . 2 . . . . 265 LYS HE3 . 18495 1 394 . 1 1 62 62 ILE H H 1 8.62 0.01 . 1 . . . . 266 ILE H . 18495 1 395 . 1 1 62 62 ILE HA H 1 3.58 0.01 . 1 . . . . 266 ILE HA . 18495 1 396 . 1 1 62 62 ILE HB H 1 2.18 0.01 . 1 . . . . 266 ILE HB . 18495 1 397 . 1 1 62 62 ILE HG12 H 1 2.33 0.01 . 1 . . . . 266 ILE HG12 . 18495 1 398 . 1 1 62 62 ILE HG13 H 1 2.33 0.01 . 1 . . . . 266 ILE HG13 . 18495 1 399 . 1 1 62 62 ILE HG21 H 1 0.94 0.01 . 1 . . . . 266 ILE QG2 . 18495 1 400 . 1 1 62 62 ILE HG22 H 1 0.94 0.01 . 1 . . . . 266 ILE QG2 . 18495 1 401 . 1 1 62 62 ILE HG23 H 1 0.94 0.01 . 1 . . . . 266 ILE QG2 . 18495 1 402 . 1 1 62 62 ILE HD11 H 1 0.91 0.01 . 1 . . . . 266 ILE QD1 . 18495 1 403 . 1 1 62 62 ILE HD12 H 1 0.91 0.01 . 1 . . . . 266 ILE QD1 . 18495 1 404 . 1 1 62 62 ILE HD13 H 1 0.91 0.01 . 1 . . . . 266 ILE QD1 . 18495 1 405 . 1 1 63 63 PHE H H 1 8.83 0.01 . 1 . . . . 267 PHE H . 18495 1 406 . 1 1 63 63 PHE HA H 1 4.03 0.01 . 1 . . . . 267 PHE HA . 18495 1 407 . 1 1 63 63 PHE HB2 H 1 2.52 0.01 . 2 . . . . 267 PHE HB2 . 18495 1 408 . 1 1 63 63 PHE HB3 H 1 2.68 0.01 . 2 . . . . 267 PHE HB3 . 18495 1 409 . 1 1 63 63 PHE HD1 H 1 6.82 0.01 . 3 . . . . 267 PHE HD1 . 18495 1 410 . 1 1 63 63 PHE HD2 H 1 6.82 0.01 . 3 . . . . 267 PHE HD2 . 18495 1 411 . 1 1 63 63 PHE HE1 H 1 7.06 0.01 . 3 . . . . 267 PHE HE1 . 18495 1 412 . 1 1 63 63 PHE HE2 H 1 7.06 0.01 . 3 . . . . 267 PHE HE2 . 18495 1 413 . 1 1 63 63 PHE HZ H 1 7.22 0.01 . 1 . . . . 267 PHE HZ . 18495 1 414 . 1 1 64 64 TYR H H 1 8.94 0.01 . 1 . . . . 268 TYR H . 18495 1 415 . 1 1 64 64 TYR HA H 1 3.77 0.01 . 1 . . . . 268 TYR HA . 18495 1 416 . 1 1 64 64 TYR HB2 H 1 3.00 0.01 . 2 . . . . 268 TYR HB2 . 18495 1 417 . 1 1 64 64 TYR HB3 H 1 3.05 0.01 . 2 . . . . 268 TYR HB3 . 18495 1 418 . 1 1 64 64 TYR HD1 H 1 6.90 0.01 . 3 . . . . 268 TYR HD1 . 18495 1 419 . 1 1 64 64 TYR HD2 H 1 6.90 0.01 . 3 . . . . 268 TYR HD2 . 18495 1 420 . 1 1 64 64 TYR HE1 H 1 6.75 0.01 . 3 . . . . 268 TYR HE1 . 18495 1 421 . 1 1 64 64 TYR HE2 H 1 6.75 0.01 . 3 . . . . 268 TYR HE2 . 18495 1 422 . 1 1 65 65 ARG H H 1 7.93 0.01 . 1 . . . . 269 ARG H . 18495 1 423 . 1 1 65 65 ARG HA H 1 3.83 0.01 . 1 . . . . 269 ARG HA . 18495 1 424 . 1 1 65 65 ARG HB2 H 1 2.10 0.01 . 1 . . . . 269 ARG HB2 . 18495 1 425 . 1 1 65 65 ARG HB3 H 1 2.10 0.01 . 1 . . . . 269 ARG HB3 . 18495 1 426 . 1 1 65 65 ARG HG2 H 1 1.63 0.01 . 1 . . . . 269 ARG HG2 . 18495 1 427 . 1 1 65 65 ARG HG3 H 1 1.63 0.01 . 1 . . . . 269 ARG HG3 . 18495 1 428 . 1 1 65 65 ARG HD2 H 1 3.22 0.01 . 2 . . . . 269 ARG HD2 . 18495 1 429 . 1 1 65 65 ARG HD3 H 1 3.32 0.01 . 2 . . . . 269 ARG HD3 . 18495 1 430 . 1 1 65 65 ARG HE H 1 9.26 0.01 . 1 . . . . 269 ARG HE . 18495 1 431 . 1 1 65 65 ARG HH11 H 1 6.27 0.01 . 2 . . . . 269 ARG HH11 . 18495 1 432 . 1 1 65 65 ARG HH12 H 1 6.27 0.01 . 2 . . . . 269 ARG HH12 . 18495 1 433 . 1 1 65 65 ARG HH21 H 1 7.10 0.01 . 2 . . . . 269 ARG HH21 . 18495 1 434 . 1 1 65 65 ARG HH22 H 1 7.10 0.01 . 2 . . . . 269 ARG HH22 . 18495 1 435 . 1 1 66 66 ALA H H 1 8.25 0.01 . 1 . . . . 270 ALA H . 18495 1 436 . 1 1 66 66 ALA HA H 1 4.05 0.01 . 1 . . . . 270 ALA HA . 18495 1 437 . 1 1 66 66 ALA HB1 H 1 1.33 0.01 . 1 . . . . 270 ALA QB . 18495 1 438 . 1 1 66 66 ALA HB2 H 1 1.33 0.01 . 1 . . . . 270 ALA QB . 18495 1 439 . 1 1 66 66 ALA HB3 H 1 1.33 0.01 . 1 . . . . 270 ALA QB . 18495 1 440 . 1 1 67 67 LEU H H 1 8.27 0.01 . 1 . . . . 271 LEU H . 18495 1 441 . 1 1 67 67 LEU HA H 1 3.69 0.01 . 1 . . . . 271 LEU HA . 18495 1 442 . 1 1 67 67 LEU HB2 H 1 1.35 0.01 . 1 . . . . 271 LEU HB2 . 18495 1 443 . 1 1 67 67 LEU HB3 H 1 1.35 0.01 . 1 . . . . 271 LEU HB3 . 18495 1 444 . 1 1 67 67 LEU HG H 1 1.16 0.01 . 1 . . . . 271 LEU HG . 18495 1 445 . 1 1 67 67 LEU HD11 H 1 0.10 0.01 . 2 . . . . 271 LEU QD1 . 18495 1 446 . 1 1 67 67 LEU HD12 H 1 0.10 0.01 . 2 . . . . 271 LEU QD1 . 18495 1 447 . 1 1 67 67 LEU HD13 H 1 0.10 0.01 . 2 . . . . 271 LEU QD1 . 18495 1 448 . 1 1 67 67 LEU HD21 H 1 0.24 0.01 . 2 . . . . 271 LEU QD2 . 18495 1 449 . 1 1 67 67 LEU HD22 H 1 0.24 0.01 . 2 . . . . 271 LEU QD2 . 18495 1 450 . 1 1 67 67 LEU HD23 H 1 0.24 0.01 . 2 . . . . 271 LEU QD2 . 18495 1 451 . 1 1 68 68 THR H H 1 7.30 0.01 . 1 . . . . 272 THR H . 18495 1 452 . 1 1 68 68 THR HA H 1 4.01 0.01 . 1 . . . . 272 THR HA . 18495 1 453 . 1 1 68 68 THR HB H 1 3.98 0.01 . 1 . . . . 272 THR HB . 18495 1 454 . 1 1 68 68 THR HG21 H 1 0.72 0.01 . 1 . . . . 272 THR QG2 . 18495 1 455 . 1 1 68 68 THR HG22 H 1 0.72 0.01 . 1 . . . . 272 THR QG2 . 18495 1 456 . 1 1 68 68 THR HG23 H 1 0.72 0.01 . 1 . . . . 272 THR QG2 . 18495 1 457 . 1 1 69 69 GLN H H 1 8.10 0.01 . 1 . . . . 273 GLN H . 18495 1 458 . 1 1 69 69 GLN HA H 1 4.40 0.01 . 1 . . . . 273 GLN HA . 18495 1 459 . 1 1 69 69 GLN HB2 H 1 1.26 0.01 . 2 . . . . 273 GLN HB2 . 18495 1 460 . 1 1 69 69 GLN HB3 H 1 1.35 0.01 . 2 . . . . 273 GLN HB3 . 18495 1 461 . 1 1 69 69 GLN HG2 H 1 1.63 0.01 . 2 . . . . 273 GLN HG2 . 18495 1 462 . 1 1 69 69 GLN HG3 H 1 1.96 0.01 . 2 . . . . 273 GLN HG3 . 18495 1 463 . 1 1 69 69 GLN HE21 H 1 6.62 0.01 . 2 . . . . 273 GLN HE21 . 18495 1 464 . 1 1 69 69 GLN HE22 H 1 7.10 0.01 . 2 . . . . 273 GLN HE22 . 18495 1 465 . 1 1 70 70 TYR H H 1 7.14 0.01 . 1 . . . . 274 TYR H . 18495 1 466 . 1 1 70 70 TYR HA H 1 5.05 0.01 . 1 . . . . 274 TYR HA . 18495 1 467 . 1 1 70 70 TYR HB2 H 1 2.71 0.01 . 2 . . . . 274 TYR HB2 . 18495 1 468 . 1 1 70 70 TYR HB3 H 1 3.34 0.01 . 2 . . . . 274 TYR HB3 . 18495 1 469 . 1 1 70 70 TYR HD1 H 1 7.06 0.01 . 3 . . . . 274 TYR HD1 . 18495 1 470 . 1 1 70 70 TYR HD2 H 1 7.06 0.01 . 3 . . . . 274 TYR HD2 . 18495 1 471 . 1 1 70 70 TYR HE1 H 1 6.63 0.01 . 3 . . . . 274 TYR HE1 . 18495 1 472 . 1 1 70 70 TYR HE2 H 1 6.63 0.01 . 3 . . . . 274 TYR HE2 . 18495 1 473 . 1 1 71 71 LEU H H 1 7.83 0.01 . 1 . . . . 275 LEU H . 18495 1 474 . 1 1 71 71 LEU HA H 1 4.43 0.01 . 1 . . . . 275 LEU HA . 18495 1 475 . 1 1 71 71 LEU HB2 H 1 1.65 0.01 . 2 . . . . 275 LEU HB2 . 18495 1 476 . 1 1 71 71 LEU HB3 H 1 1.85 0.01 . 2 . . . . 275 LEU HB3 . 18495 1 477 . 1 1 71 71 LEU HG H 1 1.85 0.01 . 1 . . . . 275 LEU HG . 18495 1 478 . 1 1 71 71 LEU HD11 H 1 0.98 0.01 . 2 . . . . 275 LEU QD1 . 18495 1 479 . 1 1 71 71 LEU HD12 H 1 0.98 0.01 . 2 . . . . 275 LEU QD1 . 18495 1 480 . 1 1 71 71 LEU HD13 H 1 0.98 0.01 . 2 . . . . 275 LEU QD1 . 18495 1 481 . 1 1 71 71 LEU HD21 H 1 1.07 0.01 . 2 . . . . 275 LEU QD2 . 18495 1 482 . 1 1 71 71 LEU HD22 H 1 1.07 0.01 . 2 . . . . 275 LEU QD2 . 18495 1 483 . 1 1 71 71 LEU HD23 H 1 1.07 0.01 . 2 . . . . 275 LEU QD2 . 18495 1 484 . 1 1 72 72 THR H H 1 8.26 0.01 . 1 . . . . 276 THR H . 18495 1 485 . 1 1 72 72 THR HA H 1 4.70 0.01 . 1 . . . . 276 THR HA . 18495 1 486 . 1 1 72 72 THR HB H 1 4.48 0.01 . 1 . . . . 276 THR HB . 18495 1 487 . 1 1 72 72 THR HG21 H 1 1.14 0.01 . 1 . . . . 276 THR QG2 . 18495 1 488 . 1 1 72 72 THR HG22 H 1 1.14 0.01 . 1 . . . . 276 THR QG2 . 18495 1 489 . 1 1 72 72 THR HG23 H 1 1.14 0.01 . 1 . . . . 276 THR QG2 . 18495 1 490 . 1 1 73 73 PRO HA H 1 3.35 0.01 . 1 . . . . 277 PRO HA . 18495 1 491 . 1 1 73 73 PRO HB2 H 1 1.80 0.01 . 2 . . . . 277 PRO HB2 . 18495 1 492 . 1 1 73 73 PRO HB3 H 1 2.25 0.01 . 2 . . . . 277 PRO HB3 . 18495 1 493 . 1 1 73 73 PRO HG2 H 1 1.73 0.01 . 2 . . . . 277 PRO HG2 . 18495 1 494 . 1 1 73 73 PRO HG3 H 1 2.03 0.01 . 2 . . . . 277 PRO HG3 . 18495 1 495 . 1 1 73 73 PRO HD2 H 1 3.48 0.01 . 2 . . . . 277 PRO HD2 . 18495 1 496 . 1 1 73 73 PRO HD3 H 1 3.70 0.01 . 2 . . . . 277 PRO HD3 . 18495 1 497 . 1 1 74 74 THR H H 1 7.32 0.01 . 1 . . . . 278 THR H . 18495 1 498 . 1 1 74 74 THR HA H 1 4.58 0.01 . 1 . . . . 278 THR HA . 18495 1 499 . 1 1 74 74 THR HB H 1 4.67 0.01 . 1 . . . . 278 THR HB . 18495 1 500 . 1 1 74 74 THR HG21 H 1 1.14 0.01 . 1 . . . . 278 THR QG2 . 18495 1 501 . 1 1 74 74 THR HG22 H 1 1.14 0.01 . 1 . . . . 278 THR QG2 . 18495 1 502 . 1 1 74 74 THR HG23 H 1 1.14 0.01 . 1 . . . . 278 THR QG2 . 18495 1 503 . 1 1 75 75 SER H H 1 7.91 0.01 . 1 . . . . 279 SER H . 18495 1 504 . 1 1 75 75 SER HA H 1 4.58 0.01 . 1 . . . . 279 SER HA . 18495 1 505 . 1 1 75 75 SER HB2 H 1 4.03 0.01 . 2 . . . . 279 SER HB2 . 18495 1 506 . 1 1 75 75 SER HB3 H 1 4.10 0.01 . 2 . . . . 279 SER HB3 . 18495 1 507 . 1 1 75 75 SER HG H 1 5.86 0.01 . 1 . . . . 279 SER HG . 18495 1 508 . 1 1 76 76 ASN H H 1 8.36 0.01 . 1 . . . . 280 ASN H . 18495 1 509 . 1 1 76 76 ASN HA H 1 5.02 0.01 . 1 . . . . 280 ASN HA . 18495 1 510 . 1 1 76 76 ASN HB2 H 1 3.15 0.01 . 2 . . . . 280 ASN HB2 . 18495 1 511 . 1 1 76 76 ASN HB3 H 1 3.59 0.01 . 2 . . . . 280 ASN HB3 . 18495 1 512 . 1 1 76 76 ASN HD21 H 1 7.04 0.01 . 2 . . . . 280 ASN HD21 . 18495 1 513 . 1 1 76 76 ASN HD22 H 1 7.56 0.01 . 2 . . . . 280 ASN HD22 . 18495 1 514 . 1 1 77 77 PHE H H 1 8.78 0.01 . 1 . . . . 281 PHE H . 18495 1 515 . 1 1 77 77 PHE HA H 1 4.20 0.01 . 1 . . . . 281 PHE HA . 18495 1 516 . 1 1 77 77 PHE HB2 H 1 3.06 0.01 . 2 . . . . 281 PHE HB2 . 18495 1 517 . 1 1 77 77 PHE HB3 H 1 3.43 0.01 . 2 . . . . 281 PHE HB3 . 18495 1 518 . 1 1 77 77 PHE HD1 H 1 7.39 0.01 . 3 . . . . 281 PHE HD1 . 18495 1 519 . 1 1 77 77 PHE HD2 H 1 7.39 0.01 . 3 . . . . 281 PHE HD2 . 18495 1 520 . 1 1 77 77 PHE HE1 H 1 7.39 0.01 . 3 . . . . 281 PHE HE1 . 18495 1 521 . 1 1 77 77 PHE HE2 H 1 7.39 0.01 . 3 . . . . 281 PHE HE2 . 18495 1 522 . 1 1 77 77 PHE HZ H 1 7.61 0.01 . 1 . . . . 281 PHE HZ . 18495 1 523 . 1 1 78 78 SER H H 1 8.59 0.01 . 1 . . . . 282 SER H . 18495 1 524 . 1 1 79 79 GLN H H 1 8.29 0.01 . 1 . . . . 283 GLN H . 18495 1 525 . 1 1 79 79 GLN HA H 1 4.20 0.01 . 1 . . . . 283 GLN HA . 18495 1 526 . 1 1 79 79 GLN HB2 H 1 2.20 0.01 . 2 . . . . 283 GLN HB2 . 18495 1 527 . 1 1 79 79 GLN HB3 H 1 2.49 0.01 . 2 . . . . 283 GLN HB3 . 18495 1 528 . 1 1 79 79 GLN HG2 H 1 2.53 0.01 . 2 . . . . 283 GLN HG2 . 18495 1 529 . 1 1 79 79 GLN HG3 H 1 2.67 0.01 . 2 . . . . 283 GLN HG3 . 18495 1 530 . 1 1 79 79 GLN HE21 H 1 6.75 0.01 . 2 . . . . 283 GLN HE21 . 18495 1 531 . 1 1 79 79 GLN HE22 H 1 7.56 0.01 . 2 . . . . 283 GLN HE22 . 18495 1 532 . 1 1 80 80 LEU H H 1 8.97 0.01 . 1 . . . . 284 LEU H . 18495 1 533 . 1 1 80 80 LEU HA H 1 4.11 0.01 . 1 . . . . 284 LEU HA . 18495 1 534 . 1 1 80 80 LEU HB2 H 1 1.86 0.01 . 2 . . . . 284 LEU HB2 . 18495 1 535 . 1 1 80 80 LEU HB3 H 1 1.95 0.01 . 2 . . . . 284 LEU HB3 . 18495 1 536 . 1 1 80 80 LEU HG H 1 2.06 0.01 . 1 . . . . 284 LEU HG . 18495 1 537 . 1 1 80 80 LEU HD11 H 1 1.10 0.01 . 1 . . . . 284 LEU QD1 . 18495 1 538 . 1 1 80 80 LEU HD12 H 1 1.10 0.01 . 1 . . . . 284 LEU QD1 . 18495 1 539 . 1 1 80 80 LEU HD13 H 1 1.10 0.01 . 1 . . . . 284 LEU QD1 . 18495 1 540 . 1 1 80 80 LEU HD21 H 1 1.21 0.01 . 1 . . . . 284 LEU QD2 . 18495 1 541 . 1 1 80 80 LEU HD22 H 1 1.21 0.01 . 1 . . . . 284 LEU QD2 . 18495 1 542 . 1 1 80 80 LEU HD23 H 1 1.21 0.01 . 1 . . . . 284 LEU QD2 . 18495 1 543 . 1 1 81 81 ARG H H 1 8.09 0.01 . 1 . . . . 285 ARG H . 18495 1 544 . 1 1 81 81 ARG HA H 1 4.13 0.01 . 1 . . . . 285 ARG HA . 18495 1 545 . 1 1 81 81 ARG HB2 H 1 0.86 0.01 . 2 . . . . 285 ARG HB2 . 18495 1 546 . 1 1 81 81 ARG HB3 H 1 1.61 0.01 . 2 . . . . 285 ARG HB3 . 18495 1 547 . 1 1 81 81 ARG HG2 H 1 0.68 0.01 . 2 . . . . 285 ARG HG2 . 18495 1 548 . 1 1 81 81 ARG HG3 H 1 1.21 0.01 . 2 . . . . 285 ARG HG3 . 18495 1 549 . 1 1 81 81 ARG HD2 H 1 3.10 0.01 . 2 . . . . 285 ARG HD2 . 18495 1 550 . 1 1 81 81 ARG HD3 H 1 3.16 0.01 . 2 . . . . 285 ARG HD3 . 18495 1 551 . 1 1 81 81 ARG HE H 1 7.68 0.01 . 1 . . . . 285 ARG HE . 18495 1 552 . 1 1 82 82 ALA H H 1 7.71 0.01 . 1 . . . . 286 ALA H . 18495 1 553 . 1 1 82 82 ALA HA H 1 3.87 0.01 . 1 . . . . 286 ALA HA . 18495 1 554 . 1 1 82 82 ALA HB1 H 1 1.42 0.01 . 1 . . . . 286 ALA QB . 18495 1 555 . 1 1 82 82 ALA HB2 H 1 1.42 0.01 . 1 . . . . 286 ALA QB . 18495 1 556 . 1 1 82 82 ALA HB3 H 1 1.42 0.01 . 1 . . . . 286 ALA QB . 18495 1 557 . 1 1 83 83 ALA H H 1 8.33 0.01 . 1 . . . . 287 ALA H . 18495 1 558 . 1 1 83 83 ALA HA H 1 3.83 0.01 . 1 . . . . 287 ALA HA . 18495 1 559 . 1 1 83 83 ALA HB1 H 1 1.51 0.01 . 1 . . . . 287 ALA QB . 18495 1 560 . 1 1 83 83 ALA HB2 H 1 1.51 0.01 . 1 . . . . 287 ALA QB . 18495 1 561 . 1 1 83 83 ALA HB3 H 1 1.51 0.01 . 1 . . . . 287 ALA QB . 18495 1 562 . 1 1 84 84 ALA H H 1 8.46 0.01 . 1 . . . . 288 ALA H . 18495 1 563 . 1 1 84 84 ALA HA H 1 3.79 0.01 . 1 . . . . 288 ALA HA . 18495 1 564 . 1 1 84 84 ALA HB1 H 1 1.24 0.01 . 1 . . . . 288 ALA QB . 18495 1 565 . 1 1 84 84 ALA HB2 H 1 1.24 0.01 . 1 . . . . 288 ALA QB . 18495 1 566 . 1 1 84 84 ALA HB3 H 1 1.24 0.01 . 1 . . . . 288 ALA QB . 18495 1 567 . 1 1 85 85 VAL H H 1 8.63 0.01 . 1 . . . . 289 VAL H . 18495 1 568 . 1 1 85 85 VAL HA H 1 3.38 0.01 . 1 . . . . 289 VAL HA . 18495 1 569 . 1 1 85 85 VAL HB H 1 2.02 0.01 . 1 . . . . 289 VAL HB . 18495 1 570 . 1 1 85 85 VAL HG11 H 1 0.85 0.01 . 2 . . . . 289 VAL QG1 . 18495 1 571 . 1 1 85 85 VAL HG12 H 1 0.85 0.01 . 2 . . . . 289 VAL QG1 . 18495 1 572 . 1 1 85 85 VAL HG13 H 1 0.85 0.01 . 2 . . . . 289 VAL QG1 . 18495 1 573 . 1 1 85 85 VAL HG21 H 1 0.99 0.01 . 2 . . . . 289 VAL QG2 . 18495 1 574 . 1 1 85 85 VAL HG22 H 1 0.99 0.01 . 2 . . . . 289 VAL QG2 . 18495 1 575 . 1 1 85 85 VAL HG23 H 1 0.99 0.01 . 2 . . . . 289 VAL QG2 . 18495 1 576 . 1 1 86 86 GLN H H 1 8.70 0.01 . 1 . . . . 290 GLN H . 18495 1 577 . 1 1 86 86 GLN HA H 1 3.74 0.01 . 1 . . . . 290 GLN HA . 18495 1 578 . 1 1 86 86 GLN HB2 H 1 1.36 0.01 . 1 . . . . 290 GLN HB2 . 18495 1 579 . 1 1 86 86 GLN HB3 H 1 1.36 0.01 . 1 . . . . 290 GLN HB3 . 18495 1 580 . 1 1 86 86 GLN HG2 H 1 1.85 0.01 . 2 . . . . 290 GLN HG2 . 18495 1 581 . 1 1 86 86 GLN HG3 H 1 1.93 0.01 . 2 . . . . 290 GLN HG3 . 18495 1 582 . 1 1 86 86 GLN HE21 H 1 7.00 0.01 . 2 . . . . 290 GLN HE21 . 18495 1 583 . 1 1 86 86 GLN HE22 H 1 7.72 0.01 . 2 . . . . 290 GLN HE22 . 18495 1 584 . 1 1 87 87 SER H H 1 8.22 0.01 . 1 . . . . 291 SER H . 18495 1 585 . 1 1 87 87 SER HA H 1 4.30 0.01 . 1 . . . . 291 SER HA . 18495 1 586 . 1 1 87 87 SER HG H 1 4.57 0.01 . 1 . . . . 291 SER HG . 18495 1 587 . 1 1 88 88 ALA H H 1 8.47 0.01 . 1 . . . . 292 ALA H . 18495 1 588 . 1 1 88 88 ALA HA H 1 4.11 0.01 . 1 . . . . 292 ALA HA . 18495 1 589 . 1 1 88 88 ALA HB1 H 1 1.51 0.01 . 1 . . . . 292 ALA QB . 18495 1 590 . 1 1 88 88 ALA HB2 H 1 1.51 0.01 . 1 . . . . 292 ALA QB . 18495 1 591 . 1 1 88 88 ALA HB3 H 1 1.51 0.01 . 1 . . . . 292 ALA QB . 18495 1 592 . 1 1 89 89 THR H H 1 8.28 0.01 . 1 . . . . 293 THR H . 18495 1 593 . 1 1 89 89 THR HA H 1 3.44 0.01 . 1 . . . . 293 THR HA . 18495 1 594 . 1 1 89 89 THR HB H 1 4.55 0.01 . 1 . . . . 293 THR HB . 18495 1 595 . 1 1 89 89 THR HG21 H 1 1.20 0.01 . 1 . . . . 293 THR QG2 . 18495 1 596 . 1 1 89 89 THR HG22 H 1 1.20 0.01 . 1 . . . . 293 THR QG2 . 18495 1 597 . 1 1 89 89 THR HG23 H 1 1.20 0.01 . 1 . . . . 293 THR QG2 . 18495 1 598 . 1 1 90 90 ASP H H 1 8.90 0.01 . 1 . . . . 294 ASP H . 18495 1 599 . 1 1 90 90 ASP HA H 1 4.17 0.01 . 1 . . . . 294 ASP HA . 18495 1 600 . 1 1 90 90 ASP HB2 H 1 2.77 0.01 . 2 . . . . 294 ASP HB2 . 18495 1 601 . 1 1 90 90 ASP HB3 H 1 3.14 0.01 . 2 . . . . 294 ASP HB3 . 18495 1 602 . 1 1 91 91 LEU H H 1 7.45 0.01 . 1 . . . . 295 LEU H . 18495 1 603 . 1 1 91 91 LEU HA H 1 3.92 0.01 . 1 . . . . 295 LEU HA . 18495 1 604 . 1 1 91 91 LEU HB2 H 1 0.34 0.01 . 2 . . . . 295 LEU HB2 . 18495 1 605 . 1 1 91 91 LEU HB3 H 1 1.33 0.01 . 2 . . . . 295 LEU HB3 . 18495 1 606 . 1 1 91 91 LEU HG H 1 1.71 0.01 . 1 . . . . 295 LEU HG . 18495 1 607 . 1 1 91 91 LEU HD11 H 1 0.76 0.01 . 1 . . . . 295 LEU QD1 . 18495 1 608 . 1 1 91 91 LEU HD12 H 1 0.76 0.01 . 1 . . . . 295 LEU QD1 . 18495 1 609 . 1 1 91 91 LEU HD13 H 1 0.76 0.01 . 1 . . . . 295 LEU QD1 . 18495 1 610 . 1 1 91 91 LEU HD21 H 1 0.76 0.01 . 1 . . . . 295 LEU QD2 . 18495 1 611 . 1 1 91 91 LEU HD22 H 1 0.76 0.01 . 1 . . . . 295 LEU QD2 . 18495 1 612 . 1 1 91 91 LEU HD23 H 1 0.76 0.01 . 1 . . . . 295 LEU QD2 . 18495 1 613 . 1 1 92 92 TYR H H 1 8.34 0.01 . 1 . . . . 296 TYR H . 18495 1 614 . 1 1 92 92 TYR HA H 1 3.53 0.01 . 1 . . . . 296 TYR HA . 18495 1 615 . 1 1 92 92 TYR HB2 H 1 2.94 0.01 . 1 . . . . 296 TYR HB2 . 18495 1 616 . 1 1 92 92 TYR HB3 H 1 2.94 0.01 . 1 . . . . 296 TYR HB3 . 18495 1 617 . 1 1 92 92 TYR HD1 H 1 7.18 0.01 . 3 . . . . 296 TYR HD1 . 18495 1 618 . 1 1 92 92 TYR HD2 H 1 7.18 0.01 . 3 . . . . 296 TYR HD2 . 18495 1 619 . 1 1 92 92 TYR HE1 H 1 7.18 0.01 . 3 . . . . 296 TYR HE1 . 18495 1 620 . 1 1 92 92 TYR HE2 H 1 7.18 0.01 . 3 . . . . 296 TYR HE2 . 18495 1 621 . 1 1 93 93 GLY H H 1 8.13 0.01 . 1 . . . . 297 GLY H . 18495 1 622 . 1 1 94 94 SER HA H 1 4.25 0.01 . 1 . . . . 298 SER H . 18495 1 623 . 1 1 94 94 SER HB2 H 1 4.04 0.01 . 1 . . . . 298 SER HB2 . 18495 1 624 . 1 1 94 94 SER HB3 H 1 4.04 0.01 . 1 . . . . 298 SER HB3 . 18495 1 625 . 1 1 95 95 THR H H 1 8.14 0.01 . 1 . . . . 299 THR H . 18495 1 626 . 1 1 95 95 THR HA H 1 4.61 0.01 . 1 . . . . 299 THR HA . 18495 1 627 . 1 1 95 95 THR HB H 1 4.68 0.01 . 1 . . . . 299 THR HB . 18495 1 628 . 1 1 95 95 THR HG21 H 1 1.25 0.01 . 1 . . . . 299 THR QG2 . 18495 1 629 . 1 1 95 95 THR HG22 H 1 1.25 0.01 . 1 . . . . 299 THR QG2 . 18495 1 630 . 1 1 95 95 THR HG23 H 1 1.25 0.01 . 1 . . . . 299 THR QG2 . 18495 1 631 . 1 1 96 96 SER H H 1 7.40 0.01 . 1 . . . . 300 SER H . 18495 1 632 . 1 1 96 96 SER HA H 1 4.38 0.01 . 1 . . . . 300 SER HA . 18495 1 633 . 1 1 97 97 GLN H H 1 9.38 0.01 . 1 . . . . 301 GLN H . 18495 1 634 . 1 1 97 97 GLN HA H 1 4.14 0.01 . 1 . . . . 301 GLN HA . 18495 1 635 . 1 1 97 97 GLN HB2 H 1 2.01 0.01 . 2 . . . . 301 GLN HB2 . 18495 1 636 . 1 1 97 97 GLN HB3 H 1 2.11 0.01 . 2 . . . . 301 GLN HB3 . 18495 1 637 . 1 1 97 97 GLN HG2 H 1 2.42 0.01 . 1 . . . . 301 GLN HG2 . 18495 1 638 . 1 1 97 97 GLN HG3 H 1 2.42 0.01 . 1 . . . . 301 GLN HG3 . 18495 1 639 . 1 1 97 97 GLN HE21 H 1 6.94 0.01 . 2 . . . . 301 GLN HE21 . 18495 1 640 . 1 1 97 97 GLN HE22 H 1 7.60 0.01 . 2 . . . . 301 GLN HE22 . 18495 1 641 . 1 1 98 98 GLU H H 1 9.71 0.01 . 1 . . . . 302 GLU H . 18495 1 642 . 1 1 98 98 GLU HB2 H 1 1.28 0.01 . 2 . . . . 302 GLU HB2 . 18495 1 643 . 1 1 98 98 GLU HB3 H 1 2.16 0.01 . 2 . . . . 302 GLU HB3 . 18495 1 644 . 1 1 98 98 GLU HG2 H 1 1.78 0.01 . 1 . . . . 302 GLU HG2 . 18495 1 645 . 1 1 98 98 GLU HG3 H 1 1.78 0.01 . 1 . . . . 302 GLU HG3 . 18495 1 646 . 1 1 98 98 GLU CA C 13 3.77 0.01 . 1 . . . . 302 GLU CA . 18495 1 647 . 1 1 99 99 VAL H H 1 7.70 0.01 . 1 . . . . 303 VAL H . 18495 1 648 . 1 1 99 99 VAL HA H 1 3.38 0.01 . 1 . . . . 303 VAL HA . 18495 1 649 . 1 1 99 99 VAL HB H 1 2.05 0.01 . 1 . . . . 303 VAL HB . 18495 1 650 . 1 1 99 99 VAL HG11 H 1 0.99 0.01 . 2 . . . . 303 VAL QG1 . 18495 1 651 . 1 1 99 99 VAL HG12 H 1 0.99 0.01 . 2 . . . . 303 VAL QG1 . 18495 1 652 . 1 1 99 99 VAL HG13 H 1 0.99 0.01 . 2 . . . . 303 VAL QG1 . 18495 1 653 . 1 1 99 99 VAL HG21 H 1 1.07 0.01 . 2 . . . . 303 VAL QG2 . 18495 1 654 . 1 1 99 99 VAL HG22 H 1 1.07 0.01 . 2 . . . . 303 VAL QG2 . 18495 1 655 . 1 1 99 99 VAL HG23 H 1 1.07 0.01 . 2 . . . . 303 VAL QG2 . 18495 1 656 . 1 1 100 100 ALA H H 1 7.28 0.01 . 1 . . . . 304 ALA H . 18495 1 657 . 1 1 100 100 ALA HA H 1 4.08 0.01 . 1 . . . . 304 ALA HA . 18495 1 658 . 1 1 100 100 ALA HB1 H 1 1.54 0.01 . 1 . . . . 304 ALA QB . 18495 1 659 . 1 1 100 100 ALA HB2 H 1 1.54 0.01 . 1 . . . . 304 ALA QB . 18495 1 660 . 1 1 100 100 ALA HB3 H 1 1.54 0.01 . 1 . . . . 304 ALA QB . 18495 1 661 . 1 1 101 101 SER H H 1 8.84 0.01 . 1 . . . . 305 SER H . 18495 1 662 . 1 1 101 101 SER HA H 1 4.27 0.01 . 1 . . . . 305 SER HA . 18495 1 663 . 1 1 101 101 SER HB2 H 1 3.85 0.01 . 2 . . . . 305 SER HB2 . 18495 1 664 . 1 1 101 101 SER HB3 H 1 4.00 0.01 . 2 . . . . 305 SER HB3 . 18495 1 665 . 1 1 102 102 VAL H H 1 8.16 0.01 . 1 . . . . 306 VAL H . 18495 1 666 . 1 1 102 102 VAL HA H 1 3.70 0.01 . 1 . . . . 306 VAL HA . 18495 1 667 . 1 1 102 102 VAL HB H 1 2.25 0.01 . 1 . . . . 306 VAL HB . 18495 1 668 . 1 1 102 102 VAL HG11 H 1 0.98 0.01 . 2 . . . . 306 VAL QG1 . 18495 1 669 . 1 1 102 102 VAL HG12 H 1 0.98 0.01 . 2 . . . . 306 VAL QG1 . 18495 1 670 . 1 1 102 102 VAL HG13 H 1 0.98 0.01 . 2 . . . . 306 VAL QG1 . 18495 1 671 . 1 1 102 102 VAL HG21 H 1 1.13 0.01 . 2 . . . . 306 VAL QG2 . 18495 1 672 . 1 1 102 102 VAL HG22 H 1 1.13 0.01 . 2 . . . . 306 VAL QG2 . 18495 1 673 . 1 1 102 102 VAL HG23 H 1 1.13 0.01 . 2 . . . . 306 VAL QG2 . 18495 1 674 . 1 1 103 103 LYS H H 1 8.27 0.01 . 1 . . . . 307 LYS H . 18495 1 675 . 1 1 103 103 LYS HA H 1 3.74 0.01 . 1 . . . . 307 LYS HA . 18495 1 676 . 1 1 103 103 LYS HB2 H 1 1.95 0.01 . 1 . . . . 307 LYS HB2 . 18495 1 677 . 1 1 103 103 LYS HB3 H 1 1.95 0.01 . 1 . . . . 307 LYS HB3 . 18495 1 678 . 1 1 103 103 LYS HG2 H 1 1.70 0.01 . 1 . . . . 307 LYS HG2 . 18495 1 679 . 1 1 103 103 LYS HG3 H 1 1.70 0.01 . 1 . . . . 307 LYS HG3 . 18495 1 680 . 1 1 103 103 LYS HD2 H 1 1.70 0.01 . 1 . . . . 307 LYS HD2 . 18495 1 681 . 1 1 103 103 LYS HD3 H 1 1.70 0.01 . 1 . . . . 307 LYS HD3 . 18495 1 682 . 1 1 103 103 LYS HE2 H 1 2.76 0.01 . 2 . . . . 307 LYS HE2 . 18495 1 683 . 1 1 103 103 LYS HE3 H 1 2.96 0.01 . 2 . . . . 307 LYS HE3 . 18495 1 684 . 1 1 103 103 LYS HZ1 H 1 7.67 0.01 . 1 . . . . 307 LYS QZ . 18495 1 685 . 1 1 103 103 LYS HZ2 H 1 7.67 0.01 . 1 . . . . 307 LYS QZ . 18495 1 686 . 1 1 103 103 LYS HZ3 H 1 7.67 0.01 . 1 . . . . 307 LYS QZ . 18495 1 687 . 1 1 104 104 GLN H H 1 8.00 0.01 . 1 . . . . 308 GLN H . 18495 1 688 . 1 1 104 104 GLN HA H 1 4.09 0.01 . 1 . . . . 308 GLN HA . 18495 1 689 . 1 1 104 104 GLN HB2 H 1 2.24 0.01 . 1 . . . . 308 GLN HB2 . 18495 1 690 . 1 1 104 104 GLN HB3 H 1 2.24 0.01 . 1 . . . . 308 GLN HB3 . 18495 1 691 . 1 1 104 104 GLN HG2 H 1 2.45 0.01 . 2 . . . . 308 GLN HG2 . 18495 1 692 . 1 1 104 104 GLN HG3 H 1 2.60 0.01 . 2 . . . . 308 GLN HG3 . 18495 1 693 . 1 1 104 104 GLN HE21 H 1 6.86 0.01 . 2 . . . . 308 GLN HE21 . 18495 1 694 . 1 1 104 104 GLN HE22 H 1 7.45 0.01 . 2 . . . . 308 GLN HE22 . 18495 1 695 . 1 1 105 105 ALA H H 1 8.21 0.01 . 1 . . . . 309 ALA H . 18495 1 696 . 1 1 105 105 ALA HA H 1 4.13 0.01 . 1 . . . . 309 ALA HA . 18495 1 697 . 1 1 105 105 ALA HB1 H 1 1.47 0.01 . 1 . . . . 309 ALA QB . 18495 1 698 . 1 1 105 105 ALA HB2 H 1 1.47 0.01 . 1 . . . . 309 ALA QB . 18495 1 699 . 1 1 105 105 ALA HB3 H 1 1.47 0.01 . 1 . . . . 309 ALA QB . 18495 1 700 . 1 1 106 106 PHE H H 1 8.07 0.01 . 1 . . . . 310 PHE H . 18495 1 701 . 1 1 106 106 PHE HA H 1 4.18 0.01 . 1 . . . . 310 PHE HA . 18495 1 702 . 1 1 106 106 PHE HB2 H 1 3.04 0.01 . 2 . . . . 310 PHE HB2 . 18495 1 703 . 1 1 106 106 PHE HB3 H 1 3.12 0.01 . 2 . . . . 310 PHE HB3 . 18495 1 704 . 1 1 106 106 PHE HD1 H 1 7.45 0.01 . 3 . . . . 310 PHE HD1 . 18495 1 705 . 1 1 106 106 PHE HD2 H 1 7.45 0.01 . 3 . . . . 310 PHE HD2 . 18495 1 706 . 1 1 106 106 PHE HE1 H 1 6.86 0.01 . 3 . . . . 310 PHE HE1 . 18495 1 707 . 1 1 106 106 PHE HE2 H 1 6.86 0.01 . 3 . . . . 310 PHE HE2 . 18495 1 708 . 1 1 106 106 PHE HZ H 1 7.01 0.01 . 1 . . . . 310 PHE HZ . 18495 1 709 . 1 1 107 107 ASP H H 1 8.65 0.01 . 1 . . . . 311 ASP H . 18495 1 710 . 1 1 107 107 ASP HA H 1 4.63 0.01 . 1 . . . . 311 ASP HA . 18495 1 711 . 1 1 107 107 ASP HB2 H 1 2.82 0.01 . 2 . . . . 311 ASP HB2 . 18495 1 712 . 1 1 107 107 ASP HB3 H 1 2.89 0.01 . 2 . . . . 311 ASP HB3 . 18495 1 713 . 1 1 108 108 ALA H H 1 7.60 0.01 . 1 . . . . 312 ALA H . 18495 1 714 . 1 1 108 108 ALA HA H 1 4.33 0.01 . 1 . . . . 312 ALA HA . 18495 1 715 . 1 1 108 108 ALA HB1 H 1 1.49 0.01 . 1 . . . . 312 ALA QB . 18495 1 716 . 1 1 108 108 ALA HB2 H 1 1.49 0.01 . 1 . . . . 312 ALA QB . 18495 1 717 . 1 1 108 108 ALA HB3 H 1 1.49 0.01 . 1 . . . . 312 ALA QB . 18495 1 718 . 1 1 109 109 VAL H H 1 7.27 0.01 . 1 . . . . 313 VAL H . 18495 1 719 . 1 1 109 109 VAL HA H 1 3.81 0.01 . 1 . . . . 313 VAL HA . 18495 1 720 . 1 1 109 109 VAL HB H 1 2.28 0.01 . 1 . . . . 313 VAL HB . 18495 1 721 . 1 1 109 109 VAL HG11 H 1 0.61 0.01 . 2 . . . . 313 VAL QG1 . 18495 1 722 . 1 1 109 109 VAL HG12 H 1 0.61 0.01 . 2 . . . . 313 VAL QG1 . 18495 1 723 . 1 1 109 109 VAL HG13 H 1 0.61 0.01 . 2 . . . . 313 VAL QG1 . 18495 1 724 . 1 1 109 109 VAL HG21 H 1 1.14 0.01 . 2 . . . . 313 VAL QG2 . 18495 1 725 . 1 1 109 109 VAL HG22 H 1 1.14 0.01 . 2 . . . . 313 VAL QG2 . 18495 1 726 . 1 1 109 109 VAL HG23 H 1 1.14 0.01 . 2 . . . . 313 VAL QG2 . 18495 1 727 . 1 1 110 110 GLY H H 1 8.57 0.01 . 1 . . . . 314 GLY H . 18495 1 728 . 1 1 110 110 GLY HA2 H 1 3.95 0.01 . 2 . . . . 314 GLY HA2 . 18495 1 729 . 1 1 110 110 GLY HA3 H 1 3.98 0.01 . 2 . . . . 314 GLY HA3 . 18495 1 730 . 1 1 111 111 VAL H H 1 7.74 0.01 . 1 . . . . 315 VAL H . 18495 1 731 . 1 1 111 111 VAL HA H 1 4.12 0.01 . 1 . . . . 315 VAL HA . 18495 1 732 . 1 1 111 111 VAL HB H 1 2.16 0.01 . 1 . . . . 315 VAL HB . 18495 1 733 . 1 1 111 111 VAL HG11 H 1 0.96 0.01 . 1 . . . . 315 VAL QG1 . 18495 1 734 . 1 1 111 111 VAL HG12 H 1 0.96 0.01 . 1 . . . . 315 VAL QG1 . 18495 1 735 . 1 1 111 111 VAL HG13 H 1 0.96 0.01 . 1 . . . . 315 VAL QG1 . 18495 1 736 . 1 1 111 111 VAL HG21 H 1 0.96 0.01 . 1 . . . . 315 VAL QG2 . 18495 1 737 . 1 1 111 111 VAL HG22 H 1 0.96 0.01 . 1 . . . . 315 VAL QG2 . 18495 1 738 . 1 1 111 111 VAL HG23 H 1 0.96 0.01 . 1 . . . . 315 VAL QG2 . 18495 1 739 . 1 1 112 112 LYS H H 1 7.99 0.01 . 1 . . . . 316 LYS H . 18495 1 740 . 1 1 112 112 LYS HA H 1 4.24 0.01 . 1 . . . . 316 LYS HA . 18495 1 741 . 1 1 112 112 LYS HB2 H 1 1.74 0.01 . 2 . . . . 316 LYS HB2 . 18495 1 742 . 1 1 112 112 LYS HB3 H 1 1.87 0.01 . 2 . . . . 316 LYS HB3 . 18495 1 743 . 1 1 112 112 LYS HG2 H 1 1.42 0.01 . 1 . . . . 316 LYS HG2 . 18495 1 744 . 1 1 112 112 LYS HG3 H 1 1.42 0.01 . 1 . . . . 316 LYS HG3 . 18495 1 745 . 1 1 112 112 LYS HD2 H 1 1.67 0.01 . 1 . . . . 316 LYS HD2 . 18495 1 746 . 1 1 112 112 LYS HD3 H 1 1.67 0.01 . 1 . . . . 316 LYS HD3 . 18495 1 747 . 1 1 112 112 LYS HE2 H 1 2.98 0.01 . 1 . . . . 316 LYS HE2 . 18495 1 748 . 1 1 112 112 LYS HE3 H 1 2.98 0.01 . 1 . . . . 316 LYS HE3 . 18495 1 749 . 1 1 112 112 LYS HZ1 H 1 7.48 0.01 . 1 . . . . 316 LYS QZ . 18495 1 750 . 1 1 112 112 LYS HZ2 H 1 7.48 0.01 . 1 . . . . 316 LYS QZ . 18495 1 751 . 1 1 112 112 LYS HZ3 H 1 7.48 0.01 . 1 . . . . 316 LYS QZ . 18495 1 stop_ save_