data_18095 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18095 _Entry.Title ; Solution NMR Structure of Lysine-specific demethylase lid from Drosophila melanogaster, Northeast Structural Genomics Consortium Target FR824D ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-18 _Entry.Accession_date 2011-11-18 _Entry.Last_release_date 2011-12-01 _Entry.Original_release_date 2011-12-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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.Entry_ID 1 Jeffrey Mills . L. . 18095 2 Dan Lee . . . 18095 3 Eitan Kohan . . . 18095 4 Seema Sahdev . . . 18095 5 T. Acton . B. . 18095 6 R. Xiao . . . 18095 7 J. Everett . K. . 18095 8 G. Montelione . T. . 18095 9 Thomas Szyperski . . . 18095 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 18095 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)' . 18095 'Protein NMR' . 18095 'Protein Structure Initiative' . 18095 PSI-2 . 18095 'Structural Genomics' . 18095 'Target FR824D' . 18095 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18095 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 464 18095 '15N chemical shifts' 112 18095 '1H chemical shifts' 748 18095 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 . . 2011-12-01 2011-11-18 original author . 18095 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LM1 'BMRB Entry Tracking System' 18095 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18095 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Northeast Structural Genomics Consortium Target FR824D' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year . _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.Entry_ID _Citation_author.Citation_ID 1 Jeffrey Mills . L. . 18095 1 2 Dan Lee . . . 18095 1 3 Eitan Kohan . . . 18095 1 4 Seema Sahdev . . . 18095 1 5 T. Acton . B. . 18095 1 6 R. Xiao . . . 18095 1 7 J. Everett . K. . 18095 1 8 G. Montelione . T. . 18095 1 9 Thomas Szyperski . . . 18095 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18095 _Assembly.ID 1 _Assembly.Name FR824D _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 . _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 FR824D 1 $FR824D A . yes native no no . . . 18095 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FR824D _Entity.Sf_category entity _Entity.Sf_framecode FR824D _Entity.Entry_ID 18095 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FR824D _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PRVQRLNELEAKTRVKLNFL DQIAKFWELQGSSLKIPMVE RKALDLYTLHRIVQEEGGME QTTKDRKWAKVANRMQYPSS KSVGATLKAHYERILHPFEV YTSGKVL ; _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12493.614 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 no PDB 2LM1 . "Solution Nmr Structure Of Lysine-Specific Demethylase Lid From Drosophila Melanogaster, Northeast Structural Genomics Consortiu" . . . . . 100.00 107 100.00 100.00 4.30e-72 . . . . 18095 1 2 no GB AAF52319 . "little imaginal discs, isoform A [Drosophila melanogaster]" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 1 3 no GB AAM11379 . "LD40310p [Drosophila melanogaster]" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 1 4 no GB AAN10569 . "little imaginal discs, isoform B [Drosophila melanogaster]" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 1 5 no GB AFH03582 . "little imaginal discs, isoform C [Drosophila melanogaster]" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 1 6 no GB AFH03583 . "little imaginal discs, isoform D [Drosophila melanogaster]" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 1 7 no REF NP_001245908 . "little imaginal discs, isoform C [Drosophila melanogaster]" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 1 8 no REF NP_001245909 . "little imaginal discs, isoform D [Drosophila melanogaster]" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 1 9 no REF NP_001245910 . "little imaginal discs, isoform E [Drosophila melanogaster]" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 1 10 no REF NP_001285649 . "little imaginal discs, isoform F [Drosophila melanogaster]" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 1 11 no REF NP_523486 . "little imaginal discs, isoform A [Drosophila melanogaster]" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 1 12 no SP Q9VMJ7 . "RecName: Full=Lysine-specific demethylase lid; AltName: Full=Histone demethylase lid; AltName: Full=Jumonji/ARID domain-contain" . . . . . 100.00 1838 100.00 100.00 6.74e-65 . . . . 18095 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 1 214 PRO . 18095 1 2 215 ARG . 18095 1 3 216 VAL . 18095 1 4 217 GLN . 18095 1 5 218 ARG . 18095 1 6 219 LEU . 18095 1 7 220 ASN . 18095 1 8 221 GLU . 18095 1 9 222 LEU . 18095 1 10 223 GLU . 18095 1 11 224 ALA . 18095 1 12 225 LYS . 18095 1 13 226 THR . 18095 1 14 227 ARG . 18095 1 15 228 VAL . 18095 1 16 229 LYS . 18095 1 17 230 LEU . 18095 1 18 231 ASN . 18095 1 19 232 PHE . 18095 1 20 233 LEU . 18095 1 21 234 ASP . 18095 1 22 235 GLN . 18095 1 23 236 ILE . 18095 1 24 237 ALA . 18095 1 25 238 LYS . 18095 1 26 239 PHE . 18095 1 27 240 TRP . 18095 1 28 241 GLU . 18095 1 29 242 LEU . 18095 1 30 243 GLN . 18095 1 31 244 GLY . 18095 1 32 245 SER . 18095 1 33 246 SER . 18095 1 34 247 LEU . 18095 1 35 248 LYS . 18095 1 36 249 ILE . 18095 1 37 250 PRO . 18095 1 38 251 MET . 18095 1 39 252 VAL . 18095 1 40 253 GLU . 18095 1 41 254 ARG . 18095 1 42 255 LYS . 18095 1 43 256 ALA . 18095 1 44 257 LEU . 18095 1 45 258 ASP . 18095 1 46 259 LEU . 18095 1 47 260 TYR . 18095 1 48 261 THR . 18095 1 49 262 LEU . 18095 1 50 263 HIS . 18095 1 51 264 ARG . 18095 1 52 265 ILE . 18095 1 53 266 VAL . 18095 1 54 267 GLN . 18095 1 55 268 GLU . 18095 1 56 269 GLU . 18095 1 57 270 GLY . 18095 1 58 271 GLY . 18095 1 59 272 MET . 18095 1 60 273 GLU . 18095 1 61 274 GLN . 18095 1 62 275 THR . 18095 1 63 276 THR . 18095 1 64 277 LYS . 18095 1 65 278 ASP . 18095 1 66 279 ARG . 18095 1 67 280 LYS . 18095 1 68 281 TRP . 18095 1 69 282 ALA . 18095 1 70 283 LYS . 18095 1 71 284 VAL . 18095 1 72 285 ALA . 18095 1 73 286 ASN . 18095 1 74 287 ARG . 18095 1 75 288 MET . 18095 1 76 289 GLN . 18095 1 77 290 TYR . 18095 1 78 291 PRO . 18095 1 79 292 SER . 18095 1 80 293 SER . 18095 1 81 294 LYS . 18095 1 82 295 SER . 18095 1 83 296 VAL . 18095 1 84 297 GLY . 18095 1 85 298 ALA . 18095 1 86 299 THR . 18095 1 87 300 LEU . 18095 1 88 301 LYS . 18095 1 89 302 ALA . 18095 1 90 303 HIS . 18095 1 91 304 TYR . 18095 1 92 305 GLU . 18095 1 93 306 ARG . 18095 1 94 307 ILE . 18095 1 95 308 LEU . 18095 1 96 309 HIS . 18095 1 97 310 PRO . 18095 1 98 311 PHE . 18095 1 99 312 GLU . 18095 1 100 313 VAL . 18095 1 101 314 TYR . 18095 1 102 315 THR . 18095 1 103 316 SER . 18095 1 104 317 GLY . 18095 1 105 318 LYS . 18095 1 106 319 VAL . 18095 1 107 320 LEU . 18095 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 . PRO 1 1 18095 1 . ARG 2 2 18095 1 . VAL 3 3 18095 1 . GLN 4 4 18095 1 . ARG 5 5 18095 1 . LEU 6 6 18095 1 . ASN 7 7 18095 1 . GLU 8 8 18095 1 . LEU 9 9 18095 1 . GLU 10 10 18095 1 . ALA 11 11 18095 1 . LYS 12 12 18095 1 . THR 13 13 18095 1 . ARG 14 14 18095 1 . VAL 15 15 18095 1 . LYS 16 16 18095 1 . LEU 17 17 18095 1 . ASN 18 18 18095 1 . PHE 19 19 18095 1 . LEU 20 20 18095 1 . ASP 21 21 18095 1 . GLN 22 22 18095 1 . ILE 23 23 18095 1 . ALA 24 24 18095 1 . LYS 25 25 18095 1 . PHE 26 26 18095 1 . TRP 27 27 18095 1 . GLU 28 28 18095 1 . LEU 29 29 18095 1 . GLN 30 30 18095 1 . GLY 31 31 18095 1 . SER 32 32 18095 1 . SER 33 33 18095 1 . LEU 34 34 18095 1 . LYS 35 35 18095 1 . ILE 36 36 18095 1 . PRO 37 37 18095 1 . MET 38 38 18095 1 . VAL 39 39 18095 1 . GLU 40 40 18095 1 . ARG 41 41 18095 1 . LYS 42 42 18095 1 . ALA 43 43 18095 1 . LEU 44 44 18095 1 . ASP 45 45 18095 1 . LEU 46 46 18095 1 . TYR 47 47 18095 1 . THR 48 48 18095 1 . LEU 49 49 18095 1 . HIS 50 50 18095 1 . ARG 51 51 18095 1 . ILE 52 52 18095 1 . VAL 53 53 18095 1 . GLN 54 54 18095 1 . GLU 55 55 18095 1 . GLU 56 56 18095 1 . GLY 57 57 18095 1 . GLY 58 58 18095 1 . MET 59 59 18095 1 . GLU 60 60 18095 1 . GLN 61 61 18095 1 . THR 62 62 18095 1 . THR 63 63 18095 1 . LYS 64 64 18095 1 . ASP 65 65 18095 1 . ARG 66 66 18095 1 . LYS 67 67 18095 1 . TRP 68 68 18095 1 . ALA 69 69 18095 1 . LYS 70 70 18095 1 . VAL 71 71 18095 1 . ALA 72 72 18095 1 . ASN 73 73 18095 1 . ARG 74 74 18095 1 . MET 75 75 18095 1 . GLN 76 76 18095 1 . TYR 77 77 18095 1 . PRO 78 78 18095 1 . SER 79 79 18095 1 . SER 80 80 18095 1 . LYS 81 81 18095 1 . SER 82 82 18095 1 . VAL 83 83 18095 1 . GLY 84 84 18095 1 . ALA 85 85 18095 1 . THR 86 86 18095 1 . LEU 87 87 18095 1 . LYS 88 88 18095 1 . ALA 89 89 18095 1 . HIS 90 90 18095 1 . TYR 91 91 18095 1 . GLU 92 92 18095 1 . ARG 93 93 18095 1 . ILE 94 94 18095 1 . LEU 95 95 18095 1 . HIS 96 96 18095 1 . PRO 97 97 18095 1 . PHE 98 98 18095 1 . GLU 99 99 18095 1 . VAL 100 100 18095 1 . TYR 101 101 18095 1 . THR 102 102 18095 1 . SER 103 103 18095 1 . GLY 104 104 18095 1 . LYS 105 105 18095 1 . VAL 106 106 18095 1 . LEU 107 107 18095 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 18095 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FR824D . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . lid . . . . 18095 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 18095 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FR824D . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)pMgK . . . . . . . . . . . . . . . pET15Nano6HT_NESG . . . . . . 18095 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sampleNC _Sample.Sf_category sample _Sample.Sf_framecode sampleNC _Sample.Entry_ID 18095 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2 mM [U-100% 13C; U-100% 15N] FR824D, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FR824D '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $FR824D . . 1.1 . . mM . . . . 18095 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18095 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18095 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18095 1 5 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 18095 1 stop_ save_ save_sampleNC5 _Sample.Sf_category sample _Sample.Sf_framecode sampleNC5 _Sample.Entry_ID 18095 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.3 mM [U-5% 13C; U-100% 15N] FR824D, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FR824D '[U-5% 13C; U-100% 15N]' 1 $assembly 1 $FR824D . . 1.3 . . mM . . . . 18095 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18095 2 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18095 2 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18095 2 5 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 18095 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 18095 _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 6.5 . pH 18095 1 pressure 1 . atm 18095 1 temperature 298 . K 18095 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18095 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18095 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinemen,structure solution,geometry optimization' 18095 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18095 _Software.ID 2 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18095 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'refinement,geometry optimization,structure solution' 18095 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 18095 _Software.ID 3 _Software.Name AutoStruct _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 18095 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,refinement' 18095 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 18095 _Software.ID 4 _Software.Name AutoAssign _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 18095 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,chemical shift assignment' 18095 4 stop_ save_ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 18095 _Software.ID 5 _Software.Name PROSA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 18095 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18095 5 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18095 _Software.ID 6 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18095 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis,peak picking,chemical shift assignment' 18095 6 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18095 _Software.ID 7 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18095 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18095 7 stop_ save_ save_TALOS+ _Software.Sf_category software _Software.Sf_framecode TALOS+ _Software.Entry_ID 18095 _Software.ID 8 _Software.Name TALOS+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Cornilescu, Delaglio and Bax' . . 18095 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 18095 8 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 18095 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18095 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 18095 _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 Varian INOVA . 750 . 1 $citations 18095 1 2 spectrometer_2 Varian INOVA . 600 . 1 $citations 18095 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 18095 _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 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18095 1 2 '3D HNCO' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18095 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18095 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18095 1 5 '3D HCCH-COSY' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18095 1 6 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18095 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sampleNC5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18095 1 8 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18095 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sampleNC isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18095 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 18095 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18095 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18095 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18095 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 18095 _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 . _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' . . . 18095 1 6 '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' . . . 18095 1 8 '2D 1H-13C HSQC aliphatic' . . . 18095 1 9 '2D 1H-13C HSQC aromatic' . . . 18095 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 PRO HA H 1 4.401 0.020 . 1 . . . . 214 PRO HA . 18095 1 2 . 1 1 1 1 PRO HB2 H 1 2.307 0.020 . 2 . . . . 214 PRO HB2 . 18095 1 3 . 1 1 1 1 PRO HB3 H 1 1.886 0.020 . 2 . . . . 214 PRO HB3 . 18095 1 4 . 1 1 1 1 PRO HG2 H 1 2.015 0.020 . 2 . . . . 214 PRO HG2 . 18095 1 5 . 1 1 1 1 PRO HG3 H 1 2.015 0.020 . 2 . . . . 214 PRO HG3 . 18095 1 6 . 1 1 1 1 PRO HD2 H 1 3.767 0.020 . 2 . . . . 214 PRO HD2 . 18095 1 7 . 1 1 1 1 PRO HD3 H 1 3.661 0.020 . 2 . . . . 214 PRO HD3 . 18095 1 8 . 1 1 1 1 PRO C C 13 176.659 0.300 . 1 . . . . 214 PRO C . 18095 1 9 . 1 1 1 1 PRO CA C 13 63.172 0.300 . 1 . . . . 214 PRO CA . 18095 1 10 . 1 1 1 1 PRO CB C 13 32.403 0.300 . 1 . . . . 214 PRO CB . 18095 1 11 . 1 1 1 1 PRO CG C 13 27.623 0.300 . 1 . . . . 214 PRO CG . 18095 1 12 . 1 1 1 1 PRO CD C 13 50.810 0.300 . 1 . . . . 214 PRO CD . 18095 1 13 . 1 1 2 2 ARG H H 1 8.454 0.020 . 1 . . . . 215 ARG H . 18095 1 14 . 1 1 2 2 ARG HA H 1 4.317 0.020 . 1 . . . . 215 ARG HA . 18095 1 15 . 1 1 2 2 ARG HB2 H 1 1.856 0.020 . 2 . . . . 215 ARG HB2 . 18095 1 16 . 1 1 2 2 ARG HB3 H 1 1.782 0.020 . 2 . . . . 215 ARG HB3 . 18095 1 17 . 1 1 2 2 ARG HG2 H 1 1.628 0.020 . 2 . . . . 215 ARG HG2 . 18095 1 18 . 1 1 2 2 ARG HG3 H 1 1.628 0.020 . 2 . . . . 215 ARG HG3 . 18095 1 19 . 1 1 2 2 ARG HD2 H 1 3.208 0.020 . 2 . . . . 215 ARG HD2 . 18095 1 20 . 1 1 2 2 ARG HD3 H 1 1.598 0.020 . 2 . . . . 215 ARG HD3 . 18095 1 21 . 1 1 2 2 ARG C C 13 176.613 0.300 . 1 . . . . 215 ARG C . 18095 1 22 . 1 1 2 2 ARG CA C 13 56.297 0.300 . 1 . . . . 215 ARG CA . 18095 1 23 . 1 1 2 2 ARG CB C 13 30.757 0.300 . 1 . . . . 215 ARG CB . 18095 1 24 . 1 1 2 2 ARG CG C 13 27.063 0.300 . 1 . . . . 215 ARG CG . 18095 1 25 . 1 1 2 2 ARG CD C 13 43.387 0.300 . 1 . . . . 215 ARG CD . 18095 1 26 . 1 1 2 2 ARG N N 15 121.645 0.300 . 1 . . . . 215 ARG N . 18095 1 27 . 1 1 3 3 VAL H H 1 8.260 0.020 . 1 . . . . 216 VAL H . 18095 1 28 . 1 1 3 3 VAL HA H 1 4.077 0.020 . 1 . . . . 216 VAL HA . 18095 1 29 . 1 1 3 3 VAL HB H 1 2.034 0.020 . 1 . . . . 216 VAL HB . 18095 1 30 . 1 1 3 3 VAL HG11 H 1 0.916 0.020 . 2 . . . . 216 VAL HG11 . 18095 1 31 . 1 1 3 3 VAL HG12 H 1 0.916 0.020 . 2 . . . . 216 VAL HG12 . 18095 1 32 . 1 1 3 3 VAL HG13 H 1 0.916 0.020 . 2 . . . . 216 VAL HG13 . 18095 1 33 . 1 1 3 3 VAL HG21 H 1 0.916 0.020 . 2 . . . . 216 VAL HG21 . 18095 1 34 . 1 1 3 3 VAL HG22 H 1 0.916 0.020 . 2 . . . . 216 VAL HG22 . 18095 1 35 . 1 1 3 3 VAL HG23 H 1 0.916 0.020 . 2 . . . . 216 VAL HG23 . 18095 1 36 . 1 1 3 3 VAL C C 13 175.995 0.300 . 1 . . . . 216 VAL C . 18095 1 37 . 1 1 3 3 VAL CA C 13 62.586 0.300 . 1 . . . . 216 VAL CA . 18095 1 38 . 1 1 3 3 VAL CB C 13 32.944 0.300 . 1 . . . . 216 VAL CB . 18095 1 39 . 1 1 3 3 VAL CG1 C 13 20.808 0.300 . 1 . . . . 216 VAL CG1 . 18095 1 40 . 1 1 3 3 VAL N N 15 122.062 0.300 . 1 . . . . 216 VAL N . 18095 1 41 . 1 1 4 4 GLN H H 1 8.472 0.020 . 1 . . . . 217 GLN H . 18095 1 42 . 1 1 4 4 GLN HA H 1 4.313 0.020 . 1 . . . . 217 GLN HA . 18095 1 43 . 1 1 4 4 GLN HB2 H 1 2.057 0.020 . 2 . . . . 217 GLN HB2 . 18095 1 44 . 1 1 4 4 GLN HB3 H 1 1.982 0.020 . 2 . . . . 217 GLN HB3 . 18095 1 45 . 1 1 4 4 GLN HG2 H 1 2.383 0.020 . 2 . . . . 217 GLN HG2 . 18095 1 46 . 1 1 4 4 GLN HG3 H 1 2.383 0.020 . 2 . . . . 217 GLN HG3 . 18095 1 47 . 1 1 4 4 GLN HE21 H 1 7.920 0.020 . 2 . . . . 217 GLN HE21 . 18095 1 48 . 1 1 4 4 GLN HE22 H 1 6.790 0.020 . 2 . . . . 217 GLN HE22 . 18095 1 49 . 1 1 4 4 GLN C C 13 175.875 0.300 . 1 . . . . 217 GLN C . 18095 1 50 . 1 1 4 4 GLN CA C 13 55.957 0.300 . 1 . . . . 217 GLN CA . 18095 1 51 . 1 1 4 4 GLN CB C 13 29.771 0.300 . 1 . . . . 217 GLN CB . 18095 1 52 . 1 1 4 4 GLN CG C 13 33.518 0.300 . 1 . . . . 217 GLN CG . 18095 1 53 . 1 1 4 4 GLN N N 15 124.542 0.300 . 1 . . . . 217 GLN N . 18095 1 54 . 1 1 4 4 GLN NE2 N 15 114.031 0.300 . 1 . . . . 217 GLN NE2 . 18095 1 55 . 1 1 5 5 ARG H H 1 8.433 0.020 . 1 . . . . 218 ARG H . 18095 1 56 . 1 1 5 5 ARG HA H 1 4.320 0.020 . 1 . . . . 218 ARG HA . 18095 1 57 . 1 1 5 5 ARG HB2 H 1 1.850 0.020 . 2 . . . . 218 ARG HB2 . 18095 1 58 . 1 1 5 5 ARG HB3 H 1 1.791 0.020 . 2 . . . . 218 ARG HB3 . 18095 1 59 . 1 1 5 5 ARG HG2 H 1 1.625 0.020 . 2 . . . . 218 ARG HG2 . 18095 1 60 . 1 1 5 5 ARG HG3 H 1 1.625 0.020 . 2 . . . . 218 ARG HG3 . 18095 1 61 . 1 1 5 5 ARG HD2 H 1 3.208 0.020 . 2 . . . . 218 ARG HD2 . 18095 1 62 . 1 1 5 5 ARG HD3 H 1 3.208 0.020 . 2 . . . . 218 ARG HD3 . 18095 1 63 . 1 1 5 5 ARG C C 13 176.474 0.300 . 1 . . . . 218 ARG C . 18095 1 64 . 1 1 5 5 ARG CA C 13 56.180 0.300 . 1 . . . . 218 ARG CA . 18095 1 65 . 1 1 5 5 ARG CB C 13 30.737 0.300 . 1 . . . . 218 ARG CB . 18095 1 66 . 1 1 5 5 ARG CG C 13 27.063 0.300 . 1 . . . . 218 ARG CG . 18095 1 67 . 1 1 5 5 ARG CD C 13 43.252 0.300 . 1 . . . . 218 ARG CD . 18095 1 68 . 1 1 5 5 ARG N N 15 122.742 0.300 . 1 . . . . 218 ARG N . 18095 1 69 . 1 1 6 6 LEU H H 1 8.339 0.020 . 1 . . . . 219 LEU H . 18095 1 70 . 1 1 6 6 LEU HA H 1 4.299 0.020 . 1 . . . . 219 LEU HA . 18095 1 71 . 1 1 6 6 LEU HB2 H 1 1.658 0.020 . 2 . . . . 219 LEU HB2 . 18095 1 72 . 1 1 6 6 LEU HB3 H 1 1.591 0.020 . 2 . . . . 219 LEU HB3 . 18095 1 73 . 1 1 6 6 LEU HG H 1 1.671 0.020 . 1 . . . . 219 LEU HG . 18095 1 74 . 1 1 6 6 LEU HD11 H 1 0.924 0.020 . 2 . . . . 219 LEU HD11 . 18095 1 75 . 1 1 6 6 LEU HD12 H 1 0.924 0.020 . 2 . . . . 219 LEU HD12 . 18095 1 76 . 1 1 6 6 LEU HD13 H 1 0.924 0.020 . 2 . . . . 219 LEU HD13 . 18095 1 77 . 1 1 6 6 LEU HD21 H 1 0.870 0.020 . 2 . . . . 219 LEU HD21 . 18095 1 78 . 1 1 6 6 LEU HD22 H 1 0.870 0.020 . 2 . . . . 219 LEU HD22 . 18095 1 79 . 1 1 6 6 LEU HD23 H 1 0.870 0.020 . 2 . . . . 219 LEU HD23 . 18095 1 80 . 1 1 6 6 LEU C C 13 177.498 0.300 . 1 . . . . 219 LEU C . 18095 1 81 . 1 1 6 6 LEU CA C 13 56.018 0.300 . 1 . . . . 219 LEU CA . 18095 1 82 . 1 1 6 6 LEU CB C 13 42.167 0.300 . 1 . . . . 219 LEU CB . 18095 1 83 . 1 1 6 6 LEU CG C 13 27.148 0.300 . 1 . . . . 219 LEU CG . 18095 1 84 . 1 1 6 6 LEU CD1 C 13 24.971 0.300 . 1 . . . . 219 LEU CD1 . 18095 1 85 . 1 1 6 6 LEU CD2 C 13 23.669 0.300 . 1 . . . . 219 LEU CD2 . 18095 1 86 . 1 1 6 6 LEU N N 15 123.164 0.300 . 1 . . . . 219 LEU N . 18095 1 87 . 1 1 7 7 ASN H H 1 8.541 0.020 . 1 . . . . 220 ASN H . 18095 1 88 . 1 1 7 7 ASN HA H 1 4.623 0.020 . 1 . . . . 220 ASN HA . 18095 1 89 . 1 1 7 7 ASN HB2 H 1 2.860 0.020 . 2 . . . . 220 ASN HB2 . 18095 1 90 . 1 1 7 7 ASN HB3 H 1 2.860 0.020 . 2 . . . . 220 ASN HB3 . 18095 1 91 . 1 1 7 7 ASN HD21 H 1 7.654 0.020 . 2 . . . . 220 ASN HD21 . 18095 1 92 . 1 1 7 7 ASN HD22 H 1 6.950 0.020 . 2 . . . . 220 ASN HD22 . 18095 1 93 . 1 1 7 7 ASN C C 13 175.856 0.300 . 1 . . . . 220 ASN C . 18095 1 94 . 1 1 7 7 ASN CA C 13 53.804 0.300 . 1 . . . . 220 ASN CA . 18095 1 95 . 1 1 7 7 ASN CB C 13 38.545 0.300 . 1 . . . . 220 ASN CB . 18095 1 96 . 1 1 7 7 ASN N N 15 119.025 0.300 . 1 . . . . 220 ASN N . 18095 1 97 . 1 1 7 7 ASN ND2 N 15 112.636 0.300 . 1 . . . . 220 ASN ND2 . 18095 1 98 . 1 1 8 8 GLU H H 1 8.380 0.020 . 1 . . . . 221 GLU H . 18095 1 99 . 1 1 8 8 GLU HA H 1 4.176 0.020 . 1 . . . . 221 GLU HA . 18095 1 100 . 1 1 8 8 GLU HB2 H 1 2.058 0.020 . 2 . . . . 221 GLU HB2 . 18095 1 101 . 1 1 8 8 GLU HB3 H 1 2.058 0.020 . 2 . . . . 221 GLU HB3 . 18095 1 102 . 1 1 8 8 GLU HG2 H 1 2.273 0.020 . 2 . . . . 221 GLU HG2 . 18095 1 103 . 1 1 8 8 GLU HG3 H 1 2.273 0.020 . 2 . . . . 221 GLU HG3 . 18095 1 104 . 1 1 8 8 GLU C C 13 177.424 0.300 . 1 . . . . 221 GLU C . 18095 1 105 . 1 1 8 8 GLU CA C 13 58.212 0.300 . 1 . . . . 221 GLU CA . 18095 1 106 . 1 1 8 8 GLU CB C 13 29.971 0.300 . 1 . . . . 221 GLU CB . 18095 1 107 . 1 1 8 8 GLU CG C 13 36.335 0.300 . 1 . . . . 221 GLU CG . 18095 1 108 . 1 1 8 8 GLU N N 15 121.112 0.300 . 1 . . . . 221 GLU N . 18095 1 109 . 1 1 9 9 LEU H H 1 8.114 0.020 . 1 . . . . 222 LEU H . 18095 1 110 . 1 1 9 9 LEU HA H 1 4.224 0.020 . 1 . . . . 222 LEU HA . 18095 1 111 . 1 1 9 9 LEU HB2 H 1 1.742 0.020 . 2 . . . . 222 LEU HB2 . 18095 1 112 . 1 1 9 9 LEU HB3 H 1 1.659 0.020 . 2 . . . . 222 LEU HB3 . 18095 1 113 . 1 1 9 9 LEU HG H 1 1.206 0.020 . 1 . . . . 222 LEU HG . 18095 1 114 . 1 1 9 9 LEU HD11 H 1 0.893 0.020 . 2 . . . . 222 LEU HD11 . 18095 1 115 . 1 1 9 9 LEU HD12 H 1 0.893 0.020 . 2 . . . . 222 LEU HD12 . 18095 1 116 . 1 1 9 9 LEU HD13 H 1 0.893 0.020 . 2 . . . . 222 LEU HD13 . 18095 1 117 . 1 1 9 9 LEU HD21 H 1 0.873 0.020 . 2 . . . . 222 LEU HD21 . 18095 1 118 . 1 1 9 9 LEU HD22 H 1 0.873 0.020 . 2 . . . . 222 LEU HD22 . 18095 1 119 . 1 1 9 9 LEU HD23 H 1 0.873 0.020 . 2 . . . . 222 LEU HD23 . 18095 1 120 . 1 1 9 9 LEU C C 13 178.770 0.300 . 1 . . . . 222 LEU C . 18095 1 121 . 1 1 9 9 LEU CA C 13 56.860 0.300 . 1 . . . . 222 LEU CA . 18095 1 122 . 1 1 9 9 LEU CB C 13 42.070 0.300 . 1 . . . . 222 LEU CB . 18095 1 123 . 1 1 9 9 LEU CG C 13 27.197 0.300 . 1 . . . . 222 LEU CG . 18095 1 124 . 1 1 9 9 LEU CD1 C 13 24.635 0.300 . 1 . . . . 222 LEU CD1 . 18095 1 125 . 1 1 9 9 LEU CD2 C 13 23.687 0.300 . 1 . . . . 222 LEU CD2 . 18095 1 126 . 1 1 9 9 LEU N N 15 121.204 0.300 . 1 . . . . 222 LEU N . 18095 1 127 . 1 1 10 10 GLU H H 1 8.301 0.020 . 1 . . . . 223 GLU H . 18095 1 128 . 1 1 10 10 GLU HA H 1 4.164 0.020 . 1 . . . . 223 GLU HA . 18095 1 129 . 1 1 10 10 GLU HB2 H 1 2.063 0.020 . 2 . . . . 223 GLU HB2 . 18095 1 130 . 1 1 10 10 GLU HB3 H 1 2.063 0.020 . 2 . . . . 223 GLU HB3 . 18095 1 131 . 1 1 10 10 GLU HG2 H 1 2.225 0.020 . 2 . . . . 223 GLU HG2 . 18095 1 132 . 1 1 10 10 GLU HG3 H 1 2.225 0.020 . 2 . . . . 223 GLU HG3 . 18095 1 133 . 1 1 10 10 GLU C C 13 177.894 0.300 . 1 . . . . 223 GLU C . 18095 1 134 . 1 1 10 10 GLU CA C 13 58.261 0.300 . 1 . . . . 223 GLU CA . 18095 1 135 . 1 1 10 10 GLU CB C 13 29.909 0.300 . 1 . . . . 223 GLU CB . 18095 1 136 . 1 1 10 10 GLU CG C 13 36.335 0.300 . 1 . . . . 223 GLU CG . 18095 1 137 . 1 1 10 10 GLU N N 15 121.068 0.300 . 1 . . . . 223 GLU N . 18095 1 138 . 1 1 11 11 ALA H H 1 8.276 0.020 . 1 . . . . 224 ALA H . 18095 1 139 . 1 1 11 11 ALA HA H 1 4.136 0.020 . 1 . . . . 224 ALA HA . 18095 1 140 . 1 1 11 11 ALA HB1 H 1 1.468 0.020 . 1 . . . . 224 ALA HB1 . 18095 1 141 . 1 1 11 11 ALA HB2 H 1 1.468 0.020 . 1 . . . . 224 ALA HB2 . 18095 1 142 . 1 1 11 11 ALA HB3 H 1 1.468 0.020 . 1 . . . . 224 ALA HB3 . 18095 1 143 . 1 1 11 11 ALA C C 13 179.434 0.300 . 1 . . . . 224 ALA C . 18095 1 144 . 1 1 11 11 ALA CA C 13 54.749 0.300 . 1 . . . . 224 ALA CA . 18095 1 145 . 1 1 11 11 ALA CB C 13 18.823 0.300 . 1 . . . . 224 ALA CB . 18095 1 146 . 1 1 11 11 ALA N N 15 123.492 0.300 . 1 . . . . 224 ALA N . 18095 1 147 . 1 1 12 12 LYS H H 1 8.203 0.020 . 1 . . . . 225 LYS H . 18095 1 148 . 1 1 12 12 LYS HA H 1 4.151 0.020 . 1 . . . . 225 LYS HA . 18095 1 149 . 1 1 12 12 LYS HB2 H 1 2.314 0.020 . 2 . . . . 225 LYS HB2 . 18095 1 150 . 1 1 12 12 LYS HB3 H 1 2.034 0.020 . 2 . . . . 225 LYS HB3 . 18095 1 151 . 1 1 12 12 LYS HG2 H 1 1.597 0.020 . 2 . . . . 225 LYS HG2 . 18095 1 152 . 1 1 12 12 LYS HG3 H 1 1.497 0.020 . 2 . . . . 225 LYS HG3 . 18095 1 153 . 1 1 12 12 LYS HD2 H 1 1.705 0.020 . 2 . . . . 225 LYS HD2 . 18095 1 154 . 1 1 12 12 LYS HD3 H 1 1.705 0.020 . 2 . . . . 225 LYS HD3 . 18095 1 155 . 1 1 12 12 LYS HE2 H 1 3.007 0.020 . 2 . . . . 225 LYS HE2 . 18095 1 156 . 1 1 12 12 LYS HE3 H 1 3.007 0.020 . 2 . . . . 225 LYS HE3 . 18095 1 157 . 1 1 12 12 LYS C C 13 178.448 0.300 . 1 . . . . 225 LYS C . 18095 1 158 . 1 1 12 12 LYS CA C 13 58.330 0.300 . 1 . . . . 225 LYS CA . 18095 1 159 . 1 1 12 12 LYS CB C 13 32.392 0.300 . 1 . . . . 225 LYS CB . 18095 1 160 . 1 1 12 12 LYS CG C 13 25.404 0.300 . 1 . . . . 225 LYS CG . 18095 1 161 . 1 1 12 12 LYS CD C 13 28.962 0.300 . 1 . . . . 225 LYS CD . 18095 1 162 . 1 1 12 12 LYS CE C 13 42.239 0.300 . 1 . . . . 225 LYS CE . 18095 1 163 . 1 1 12 12 LYS N N 15 117.881 0.300 . 1 . . . . 225 LYS N . 18095 1 164 . 1 1 13 13 THR H H 1 7.959 0.020 . 1 . . . . 226 THR H . 18095 1 165 . 1 1 13 13 THR HA H 1 4.003 0.020 . 1 . . . . 226 THR HA . 18095 1 166 . 1 1 13 13 THR HB H 1 4.299 0.020 . 1 . . . . 226 THR HB . 18095 1 167 . 1 1 13 13 THR HG21 H 1 1.261 0.020 . 1 . . . . 226 THR HG21 . 18095 1 168 . 1 1 13 13 THR HG22 H 1 1.261 0.020 . 1 . . . . 226 THR HG22 . 18095 1 169 . 1 1 13 13 THR HG23 H 1 1.261 0.020 . 1 . . . . 226 THR HG23 . 18095 1 170 . 1 1 13 13 THR C C 13 175.441 0.300 . 1 . . . . 226 THR C . 18095 1 171 . 1 1 13 13 THR CA C 13 65.118 0.300 . 1 . . . . 226 THR CA . 18095 1 172 . 1 1 13 13 THR CB C 13 69.153 0.300 . 1 . . . . 226 THR CB . 18095 1 173 . 1 1 13 13 THR CG2 C 13 22.154 0.300 . 1 . . . . 226 THR CG2 . 18095 1 174 . 1 1 13 13 THR N N 15 115.404 0.300 . 1 . . . . 226 THR N . 18095 1 175 . 1 1 14 14 ARG H H 1 8.145 0.020 . 1 . . . . 227 ARG H . 18095 1 176 . 1 1 14 14 ARG HA H 1 4.033 0.020 . 1 . . . . 227 ARG HA . 18095 1 177 . 1 1 14 14 ARG HB2 H 1 1.923 0.020 . 2 . . . . 227 ARG HB2 . 18095 1 178 . 1 1 14 14 ARG HB3 H 1 1.923 0.020 . 2 . . . . 227 ARG HB3 . 18095 1 179 . 1 1 14 14 ARG HG2 H 1 1.709 0.020 . 2 . . . . 227 ARG HG2 . 18095 1 180 . 1 1 14 14 ARG HG3 H 1 1.709 0.020 . 2 . . . . 227 ARG HG3 . 18095 1 181 . 1 1 14 14 ARG HD2 H 1 3.208 0.020 . 2 . . . . 227 ARG HD2 . 18095 1 182 . 1 1 14 14 ARG HD3 H 1 3.208 0.020 . 2 . . . . 227 ARG HD3 . 18095 1 183 . 1 1 14 14 ARG C C 13 177.913 0.300 . 1 . . . . 227 ARG C . 18095 1 184 . 1 1 14 14 ARG CA C 13 58.826 0.300 . 1 . . . . 227 ARG CA . 18095 1 185 . 1 1 14 14 ARG CB C 13 29.964 0.300 . 1 . . . . 227 ARG CB . 18095 1 186 . 1 1 14 14 ARG CG C 13 27.137 0.300 . 1 . . . . 227 ARG CG . 18095 1 187 . 1 1 14 14 ARG CD C 13 43.252 0.300 . 1 . . . . 227 ARG CD . 18095 1 188 . 1 1 14 14 ARG N N 15 121.500 0.300 . 1 . . . . 227 ARG N . 18095 1 189 . 1 1 15 15 VAL H H 1 7.693 0.020 . 1 . . . . 228 VAL H . 18095 1 190 . 1 1 15 15 VAL HA H 1 3.789 0.020 . 1 . . . . 228 VAL HA . 18095 1 191 . 1 1 15 15 VAL HB H 1 2.072 0.020 . 1 . . . . 228 VAL HB . 18095 1 192 . 1 1 15 15 VAL HG11 H 1 1.069 0.020 . 2 . . . . 228 VAL HG11 . 18095 1 193 . 1 1 15 15 VAL HG12 H 1 1.069 0.020 . 2 . . . . 228 VAL HG12 . 18095 1 194 . 1 1 15 15 VAL HG13 H 1 1.069 0.020 . 2 . . . . 228 VAL HG13 . 18095 1 195 . 1 1 15 15 VAL HG21 H 1 0.958 0.020 . 2 . . . . 228 VAL HG21 . 18095 1 196 . 1 1 15 15 VAL HG22 H 1 0.958 0.020 . 2 . . . . 228 VAL HG22 . 18095 1 197 . 1 1 15 15 VAL HG23 H 1 0.958 0.020 . 2 . . . . 228 VAL HG23 . 18095 1 198 . 1 1 15 15 VAL C C 13 178.217 0.300 . 1 . . . . 228 VAL C . 18095 1 199 . 1 1 15 15 VAL CA C 13 65.835 0.300 . 1 . . . . 228 VAL CA . 18095 1 200 . 1 1 15 15 VAL CB C 13 31.967 0.300 . 1 . . . . 228 VAL CB . 18095 1 201 . 1 1 15 15 VAL CG1 C 13 22.007 0.300 . 1 . . . . 228 VAL CG1 . 18095 1 202 . 1 1 15 15 VAL CG2 C 13 21.028 0.300 . 1 . . . . 228 VAL CG2 . 18095 1 203 . 1 1 15 15 VAL N N 15 118.424 0.300 . 1 . . . . 228 VAL N . 18095 1 204 . 1 1 16 16 LYS H H 1 7.452 0.020 . 1 . . . . 229 LYS H . 18095 1 205 . 1 1 16 16 LYS HA H 1 3.388 0.020 . 1 . . . . 229 LYS HA . 18095 1 206 . 1 1 16 16 LYS HB2 H 1 1.752 0.020 . 2 . . . . 229 LYS HB2 . 18095 1 207 . 1 1 16 16 LYS HB3 H 1 1.479 0.020 . 2 . . . . 229 LYS HB3 . 18095 1 208 . 1 1 16 16 LYS HG2 H 1 1.192 0.020 . 2 . . . . 229 LYS HG2 . 18095 1 209 . 1 1 16 16 LYS HG3 H 1 0.924 0.020 . 2 . . . . 229 LYS HG3 . 18095 1 210 . 1 1 16 16 LYS HD2 H 1 1.674 0.020 . 2 . . . . 229 LYS HD2 . 18095 1 211 . 1 1 16 16 LYS HD3 H 1 1.674 0.020 . 2 . . . . 229 LYS HD3 . 18095 1 212 . 1 1 16 16 LYS HE2 H 1 3.010 0.020 . 2 . . . . 229 LYS HE2 . 18095 1 213 . 1 1 16 16 LYS HE3 H 1 3.010 0.020 . 2 . . . . 229 LYS HE3 . 18095 1 214 . 1 1 16 16 LYS C C 13 177.968 0.300 . 1 . . . . 229 LYS C . 18095 1 215 . 1 1 16 16 LYS CA C 13 59.579 0.300 . 1 . . . . 229 LYS CA . 18095 1 216 . 1 1 16 16 LYS CB C 13 32.353 0.300 . 1 . . . . 229 LYS CB . 18095 1 217 . 1 1 16 16 LYS CG C 13 25.009 0.300 . 1 . . . . 229 LYS CG . 18095 1 218 . 1 1 16 16 LYS CD C 13 29.786 0.300 . 1 . . . . 229 LYS CD . 18095 1 219 . 1 1 16 16 LYS CE C 13 42.001 0.300 . 1 . . . . 229 LYS CE . 18095 1 220 . 1 1 16 16 LYS N N 15 121.690 0.300 . 1 . . . . 229 LYS N . 18095 1 221 . 1 1 17 17 LEU H H 1 8.124 0.020 . 1 . . . . 230 LEU H . 18095 1 222 . 1 1 17 17 LEU HA H 1 4.081 0.020 . 1 . . . . 230 LEU HA . 18095 1 223 . 1 1 17 17 LEU HB2 H 1 1.965 0.020 . 1 . . . . 230 LEU HB2 . 18095 1 224 . 1 1 17 17 LEU HB3 H 1 1.590 0.020 . 1 . . . . 230 LEU HB3 . 18095 1 225 . 1 1 17 17 LEU HG H 1 2.066 0.020 . 1 . . . . 230 LEU HG . 18095 1 226 . 1 1 17 17 LEU HD11 H 1 1.031 0.020 . 2 . . . . 230 LEU HD11 . 18095 1 227 . 1 1 17 17 LEU HD12 H 1 1.031 0.020 . 2 . . . . 230 LEU HD12 . 18095 1 228 . 1 1 17 17 LEU HD13 H 1 1.031 0.020 . 2 . . . . 230 LEU HD13 . 18095 1 229 . 1 1 17 17 LEU HD21 H 1 1.070 0.020 . 2 . . . . 230 LEU HD21 . 18095 1 230 . 1 1 17 17 LEU HD22 H 1 1.070 0.020 . 2 . . . . 230 LEU HD22 . 18095 1 231 . 1 1 17 17 LEU HD23 H 1 1.070 0.020 . 2 . . . . 230 LEU HD23 . 18095 1 232 . 1 1 17 17 LEU C C 13 179.711 0.300 . 1 . . . . 230 LEU C . 18095 1 233 . 1 1 17 17 LEU CA C 13 57.723 0.300 . 1 . . . . 230 LEU CA . 18095 1 234 . 1 1 17 17 LEU CB C 13 41.559 0.300 . 1 . . . . 230 LEU CB . 18095 1 235 . 1 1 17 17 LEU CG C 13 27.063 0.300 . 1 . . . . 230 LEU CG . 18095 1 236 . 1 1 17 17 LEU CD1 C 13 25.224 0.300 . 1 . . . . 230 LEU CD1 . 18095 1 237 . 1 1 17 17 LEU CD2 C 13 22.942 0.300 . 1 . . . . 230 LEU CD2 . 18095 1 238 . 1 1 17 17 LEU N N 15 118.811 0.300 . 1 . . . . 230 LEU N . 18095 1 239 . 1 1 18 18 ASN H H 1 8.471 0.020 . 1 . . . . 231 ASN H . 18095 1 240 . 1 1 18 18 ASN HA H 1 4.541 0.020 . 1 . . . . 231 ASN HA . 18095 1 241 . 1 1 18 18 ASN HB2 H 1 2.941 0.020 . 2 . . . . 231 ASN HB2 . 18095 1 242 . 1 1 18 18 ASN HB3 H 1 2.889 0.020 . 2 . . . . 231 ASN HB3 . 18095 1 243 . 1 1 18 18 ASN HD21 H 1 7.817 0.020 . 2 . . . . 231 ASN HD21 . 18095 1 244 . 1 1 18 18 ASN HD22 H 1 6.989 0.020 . 2 . . . . 231 ASN HD22 . 18095 1 245 . 1 1 18 18 ASN C C 13 177.175 0.300 . 1 . . . . 231 ASN C . 18095 1 246 . 1 1 18 18 ASN CA C 13 55.957 0.300 . 1 . . . . 231 ASN CA . 18095 1 247 . 1 1 18 18 ASN CB C 13 38.407 0.300 . 1 . . . . 231 ASN CB . 18095 1 248 . 1 1 18 18 ASN N N 15 118.210 0.300 . 1 . . . . 231 ASN N . 18095 1 249 . 1 1 18 18 ASN ND2 N 15 112.219 0.300 . 1 . . . . 231 ASN ND2 . 18095 1 250 . 1 1 19 19 PHE H H 1 7.995 0.020 . 1 . . . . 232 PHE H . 18095 1 251 . 1 1 19 19 PHE HA H 1 4.276 0.020 . 1 . . . . 232 PHE HA . 18095 1 252 . 1 1 19 19 PHE HB2 H 1 3.409 0.020 . 2 . . . . 232 PHE HB2 . 18095 1 253 . 1 1 19 19 PHE HB3 H 1 3.369 0.020 . 2 . . . . 232 PHE HB3 . 18095 1 254 . 1 1 19 19 PHE HD1 H 1 7.250 0.020 . 1 . . . . 232 PHE HD1 . 18095 1 255 . 1 1 19 19 PHE HD2 H 1 7.250 0.020 . 1 . . . . 232 PHE HD2 . 18095 1 256 . 1 1 19 19 PHE C C 13 176.078 0.300 . 1 . . . . 232 PHE C . 18095 1 257 . 1 1 19 19 PHE CA C 13 61.899 0.300 . 1 . . . . 232 PHE CA . 18095 1 258 . 1 1 19 19 PHE CB C 13 39.803 0.300 . 1 . . . . 232 PHE CB . 18095 1 259 . 1 1 19 19 PHE CD1 C 13 131.976 0.300 . 1 . . . . 232 PHE CD1 . 18095 1 260 . 1 1 19 19 PHE N N 15 121.787 0.300 . 1 . . . . 232 PHE N . 18095 1 261 . 1 1 20 20 LEU H H 1 8.301 0.020 . 1 . . . . 233 LEU H . 18095 1 262 . 1 1 20 20 LEU HA H 1 4.062 0.020 . 1 . . . . 233 LEU HA . 18095 1 263 . 1 1 20 20 LEU HB2 H 1 1.735 0.020 . 2 . . . . 233 LEU HB2 . 18095 1 264 . 1 1 20 20 LEU HB3 H 1 1.525 0.020 . 2 . . . . 233 LEU HB3 . 18095 1 265 . 1 1 20 20 LEU C C 13 177.802 0.300 . 1 . . . . 233 LEU C . 18095 1 266 . 1 1 20 20 LEU CA C 13 57.447 0.300 . 1 . . . . 233 LEU CA . 18095 1 267 . 1 1 20 20 LEU CB C 13 41.709 0.300 . 1 . . . . 233 LEU CB . 18095 1 268 . 1 1 20 20 LEU CG C 13 26.990 0.300 . 1 . . . . 233 LEU CG . 18095 1 269 . 1 1 20 20 LEU CD1 C 13 24.802 0.300 . 1 . . . . 233 LEU CD1 . 18095 1 270 . 1 1 20 20 LEU CD2 C 13 23.257 0.300 . 1 . . . . 233 LEU CD2 . 18095 1 271 . 1 1 20 20 LEU N N 15 118.634 0.300 . 1 . . . . 233 LEU N . 18095 1 272 . 1 1 21 21 ASP H H 1 8.186 0.020 . 1 . . . . 234 ASP H . 18095 1 273 . 1 1 21 21 ASP HA H 1 4.431 0.020 . 1 . . . . 234 ASP HA . 18095 1 274 . 1 1 21 21 ASP HB2 H 1 2.854 0.020 . 2 . . . . 234 ASP HB2 . 18095 1 275 . 1 1 21 21 ASP HB3 H 1 2.742 0.020 . 2 . . . . 234 ASP HB3 . 18095 1 276 . 1 1 21 21 ASP C C 13 178.595 0.300 . 1 . . . . 234 ASP C . 18095 1 277 . 1 1 21 21 ASP CA C 13 57.505 0.300 . 1 . . . . 234 ASP CA . 18095 1 278 . 1 1 21 21 ASP CB C 13 41.507 0.300 . 1 . . . . 234 ASP CB . 18095 1 279 . 1 1 21 21 ASP N N 15 119.355 0.300 . 1 . . . . 234 ASP N . 18095 1 280 . 1 1 22 22 GLN H H 1 7.985 0.020 . 1 . . . . 235 GLN H . 18095 1 281 . 1 1 22 22 GLN HA H 1 4.029 0.020 . 1 . . . . 235 GLN HA . 18095 1 282 . 1 1 22 22 GLN HB2 H 1 2.176 0.020 . 2 . . . . 235 GLN HB2 . 18095 1 283 . 1 1 22 22 GLN HB3 H 1 2.176 0.020 . 2 . . . . 235 GLN HB3 . 18095 1 284 . 1 1 22 22 GLN HG2 H 1 2.671 0.020 . 2 . . . . 235 GLN HG2 . 18095 1 285 . 1 1 22 22 GLN HG3 H 1 2.511 0.020 . 2 . . . . 235 GLN HG3 . 18095 1 286 . 1 1 22 22 GLN HE21 H 1 7.435 0.020 . 1 . . . . 235 GLN HE21 . 18095 1 287 . 1 1 22 22 GLN HE22 H 1 6.991 0.020 . 1 . . . . 235 GLN HE22 . 18095 1 288 . 1 1 22 22 GLN C C 13 178.752 0.300 . 1 . . . . 235 GLN C . 18095 1 289 . 1 1 22 22 GLN CA C 13 59.066 0.300 . 1 . . . . 235 GLN CA . 18095 1 290 . 1 1 22 22 GLN CB C 13 28.658 0.300 . 1 . . . . 235 GLN CB . 18095 1 291 . 1 1 22 22 GLN CG C 13 34.593 0.300 . 1 . . . . 235 GLN CG . 18095 1 292 . 1 1 22 22 GLN N N 15 118.273 0.300 . 1 . . . . 235 GLN N . 18095 1 293 . 1 1 22 22 GLN NE2 N 15 111.585 0.300 . 1 . . . . 235 GLN NE2 . 18095 1 294 . 1 1 23 23 ILE H H 1 7.969 0.020 . 1 . . . . 236 ILE H . 18095 1 295 . 1 1 23 23 ILE HA H 1 3.302 0.020 . 1 . . . . 236 ILE HA . 18095 1 296 . 1 1 23 23 ILE HB H 1 1.016 0.020 . 1 . . . . 236 ILE HB . 18095 1 297 . 1 1 23 23 ILE HG12 H 1 0.727 0.020 . 2 . . . . 236 ILE HG12 . 18095 1 298 . 1 1 23 23 ILE HG13 H 1 0.524 0.020 . 2 . . . . 236 ILE HG13 . 18095 1 299 . 1 1 23 23 ILE HG21 H 1 0.664 0.020 . 1 . . . . 236 ILE HG21 . 18095 1 300 . 1 1 23 23 ILE HG22 H 1 0.664 0.020 . 1 . . . . 236 ILE HG22 . 18095 1 301 . 1 1 23 23 ILE HG23 H 1 0.664 0.020 . 1 . . . . 236 ILE HG23 . 18095 1 302 . 1 1 23 23 ILE HD11 H 1 0.232 0.020 . 1 . . . . 236 ILE HD11 . 18095 1 303 . 1 1 23 23 ILE HD12 H 1 0.232 0.020 . 1 . . . . 236 ILE HD12 . 18095 1 304 . 1 1 23 23 ILE HD13 H 1 0.232 0.020 . 1 . . . . 236 ILE HD13 . 18095 1 305 . 1 1 23 23 ILE C C 13 177.378 0.300 . 1 . . . . 236 ILE C . 18095 1 306 . 1 1 23 23 ILE CA C 13 63.905 0.300 . 1 . . . . 236 ILE CA . 18095 1 307 . 1 1 23 23 ILE CB C 13 36.807 0.300 . 1 . . . . 236 ILE CB . 18095 1 308 . 1 1 23 23 ILE CG1 C 13 28.468 0.300 . 1 . . . . 236 ILE CG1 . 18095 1 309 . 1 1 23 23 ILE CG2 C 13 17.973 0.300 . 1 . . . . 236 ILE CG2 . 18095 1 310 . 1 1 23 23 ILE CD1 C 13 13.575 0.300 . 1 . . . . 236 ILE CD1 . 18095 1 311 . 1 1 23 23 ILE N N 15 119.891 0.300 . 1 . . . . 236 ILE N . 18095 1 312 . 1 1 24 24 ALA H H 1 8.202 0.020 . 1 . . . . 237 ALA H . 18095 1 313 . 1 1 24 24 ALA HA H 1 4.187 0.020 . 1 . . . . 237 ALA HA . 18095 1 314 . 1 1 24 24 ALA HB1 H 1 1.606 0.020 . 1 . . . . 237 ALA HB1 . 18095 1 315 . 1 1 24 24 ALA HB2 H 1 1.606 0.020 . 1 . . . . 237 ALA HB2 . 18095 1 316 . 1 1 24 24 ALA HB3 H 1 1.606 0.020 . 1 . . . . 237 ALA HB3 . 18095 1 317 . 1 1 24 24 ALA C C 13 180.799 0.300 . 1 . . . . 237 ALA C . 18095 1 318 . 1 1 24 24 ALA CA C 13 55.957 0.300 . 1 . . . . 237 ALA CA . 18095 1 319 . 1 1 24 24 ALA CB C 13 18.126 0.300 . 1 . . . . 237 ALA CB . 18095 1 320 . 1 1 24 24 ALA N N 15 124.290 0.300 . 1 . . . . 237 ALA N . 18095 1 321 . 1 1 25 25 LYS H H 1 8.264 0.020 . 1 . . . . 238 LYS H . 18095 1 322 . 1 1 25 25 LYS HA H 1 4.042 0.020 . 1 . . . . 238 LYS HA . 18095 1 323 . 1 1 25 25 LYS HB2 H 1 1.949 0.020 . 2 . . . . 238 LYS HB2 . 18095 1 324 . 1 1 25 25 LYS HB3 H 1 1.949 0.020 . 2 . . . . 238 LYS HB3 . 18095 1 325 . 1 1 25 25 LYS HG2 H 1 1.696 0.020 . 2 . . . . 238 LYS HG2 . 18095 1 326 . 1 1 25 25 LYS HG3 H 1 1.696 0.020 . 2 . . . . 238 LYS HG3 . 18095 1 327 . 1 1 25 25 LYS C C 13 179.388 0.300 . 1 . . . . 238 LYS C . 18095 1 328 . 1 1 25 25 LYS CA C 13 58.992 0.300 . 1 . . . . 238 LYS CA . 18095 1 329 . 1 1 25 25 LYS CB C 13 32.298 0.300 . 1 . . . . 238 LYS CB . 18095 1 330 . 1 1 25 25 LYS CG C 13 28.514 0.300 . 1 . . . . 238 LYS CG . 18095 1 331 . 1 1 25 25 LYS CD C 13 25.169 0.300 . 1 . . . . 238 LYS CD . 18095 1 332 . 1 1 25 25 LYS CE C 13 41.165 0.300 . 1 . . . . 238 LYS CE . 18095 1 333 . 1 1 25 25 LYS N N 15 119.241 0.300 . 1 . . . . 238 LYS N . 18095 1 334 . 1 1 26 26 PHE H H 1 7.962 0.020 . 1 . . . . 239 PHE H . 18095 1 335 . 1 1 26 26 PHE HA H 1 3.991 0.020 . 1 . . . . 239 PHE HA . 18095 1 336 . 1 1 26 26 PHE HB2 H 1 3.193 0.020 . 2 . . . . 239 PHE HB2 . 18095 1 337 . 1 1 26 26 PHE HB3 H 1 3.060 0.020 . 2 . . . . 239 PHE HB3 . 18095 1 338 . 1 1 26 26 PHE HD1 H 1 5.996 0.020 . 1 . . . . 239 PHE HD1 . 18095 1 339 . 1 1 26 26 PHE HD2 H 1 5.996 0.020 . 1 . . . . 239 PHE HD2 . 18095 1 340 . 1 1 26 26 PHE C C 13 177.083 0.300 . 1 . . . . 239 PHE C . 18095 1 341 . 1 1 26 26 PHE CA C 13 61.034 0.300 . 1 . . . . 239 PHE CA . 18095 1 342 . 1 1 26 26 PHE CB C 13 38.849 0.300 . 1 . . . . 239 PHE CB . 18095 1 343 . 1 1 26 26 PHE CD1 C 13 131.269 0.300 . 1 . . . . 239 PHE CD1 . 18095 1 344 . 1 1 26 26 PHE N N 15 119.889 0.300 . 1 . . . . 239 PHE N . 18095 1 345 . 1 1 27 27 TRP H H 1 7.941 0.020 . 1 . . . . 240 TRP H . 18095 1 346 . 1 1 27 27 TRP HA H 1 4.010 0.020 . 1 . . . . 240 TRP HA . 18095 1 347 . 1 1 27 27 TRP HB2 H 1 2.920 0.020 . 1 . . . . 240 TRP HB2 . 18095 1 348 . 1 1 27 27 TRP HB3 H 1 3.402 0.020 . 1 . . . . 240 TRP HB3 . 18095 1 349 . 1 1 27 27 TRP HD1 H 1 7.305 0.020 . 1 . . . . 240 TRP HD1 . 18095 1 350 . 1 1 27 27 TRP HE1 H 1 10.159 0.020 . 1 . . . . 240 TRP HE1 . 18095 1 351 . 1 1 27 27 TRP HZ2 H 1 7.935 0.020 . 1 . . . . 240 TRP HZ2 . 18095 1 352 . 1 1 27 27 TRP HZ3 H 1 7.197 0.020 . 1 . . . . 240 TRP HZ3 . 18095 1 353 . 1 1 27 27 TRP HH2 H 1 7.473 0.020 . 1 . . . . 240 TRP HH2 . 18095 1 354 . 1 1 27 27 TRP C C 13 178.761 0.300 . 1 . . . . 240 TRP C . 18095 1 355 . 1 1 27 27 TRP CA C 13 60.877 0.300 . 1 . . . . 240 TRP CA . 18095 1 356 . 1 1 27 27 TRP CB C 13 28.500 0.300 . 1 . . . . 240 TRP CB . 18095 1 357 . 1 1 27 27 TRP CD1 C 13 126.289 0.300 . 1 . . . . 240 TRP CD1 . 18095 1 358 . 1 1 27 27 TRP CZ2 C 13 115.493 0.300 . 1 . . . . 240 TRP CZ2 . 18095 1 359 . 1 1 27 27 TRP CZ3 C 13 122.536 0.300 . 1 . . . . 240 TRP CZ3 . 18095 1 360 . 1 1 27 27 TRP CH2 C 13 124.932 0.300 . 1 . . . . 240 TRP CH2 . 18095 1 361 . 1 1 27 27 TRP N N 15 119.408 0.300 . 1 . . . . 240 TRP N . 18095 1 362 . 1 1 27 27 TRP NE1 N 15 124.381 0.300 . 1 . . . . 240 TRP NE1 . 18095 1 363 . 1 1 28 28 GLU H H 1 8.270 0.020 . 1 . . . . 241 GLU H . 18095 1 364 . 1 1 28 28 GLU HA H 1 4.186 0.020 . 1 . . . . 241 GLU HA . 18095 1 365 . 1 1 28 28 GLU HB2 H 1 2.159 0.020 . 2 . . . . 241 GLU HB2 . 18095 1 366 . 1 1 28 28 GLU HB3 H 1 2.159 0.020 . 2 . . . . 241 GLU HB3 . 18095 1 367 . 1 1 28 28 GLU HG2 H 1 2.437 0.020 . 2 . . . . 241 GLU HG2 . 18095 1 368 . 1 1 28 28 GLU HG3 H 1 2.437 0.020 . 2 . . . . 241 GLU HG3 . 18095 1 369 . 1 1 28 28 GLU C C 13 181.187 0.300 . 1 . . . . 241 GLU C . 18095 1 370 . 1 1 28 28 GLU CA C 13 59.542 0.300 . 1 . . . . 241 GLU CA . 18095 1 371 . 1 1 28 28 GLU CB C 13 29.578 0.300 . 1 . . . . 241 GLU CB . 18095 1 372 . 1 1 28 28 GLU CG C 13 36.370 0.300 . 1 . . . . 241 GLU CG . 18095 1 373 . 1 1 28 28 GLU N N 15 121.346 0.300 . 1 . . . . 241 GLU N . 18095 1 374 . 1 1 29 29 LEU H H 1 7.992 0.020 . 1 . . . . 242 LEU H . 18095 1 375 . 1 1 29 29 LEU HA H 1 4.062 0.020 . 1 . . . . 242 LEU HA . 18095 1 376 . 1 1 29 29 LEU HB2 H 1 1.717 0.020 . 2 . . . . 242 LEU HB2 . 18095 1 377 . 1 1 29 29 LEU HB3 H 1 1.532 0.020 . 2 . . . . 242 LEU HB3 . 18095 1 378 . 1 1 29 29 LEU HD11 H 1 0.862 0.020 . 2 . . . . 242 LEU HD11 . 18095 1 379 . 1 1 29 29 LEU HD12 H 1 0.862 0.020 . 2 . . . . 242 LEU HD12 . 18095 1 380 . 1 1 29 29 LEU HD13 H 1 0.862 0.020 . 2 . . . . 242 LEU HD13 . 18095 1 381 . 1 1 29 29 LEU HD21 H 1 0.825 0.020 . 2 . . . . 242 LEU HD21 . 18095 1 382 . 1 1 29 29 LEU HD22 H 1 0.825 0.020 . 2 . . . . 242 LEU HD22 . 18095 1 383 . 1 1 29 29 LEU HD23 H 1 0.825 0.020 . 2 . . . . 242 LEU HD23 . 18095 1 384 . 1 1 29 29 LEU C C 13 178.724 0.300 . 1 . . . . 242 LEU C . 18095 1 385 . 1 1 29 29 LEU CA C 13 57.447 0.300 . 1 . . . . 242 LEU CA . 18095 1 386 . 1 1 29 29 LEU CB C 13 41.423 0.300 . 1 . . . . 242 LEU CB . 18095 1 387 . 1 1 29 29 LEU CG C 13 26.598 0.300 . 1 . . . . 242 LEU CG . 18095 1 388 . 1 1 29 29 LEU CD1 C 13 24.937 0.300 . 1 . . . . 242 LEU CD1 . 18095 1 389 . 1 1 29 29 LEU CD2 C 13 23.663 0.300 . 1 . . . . 242 LEU CD2 . 18095 1 390 . 1 1 29 29 LEU N N 15 122.138 0.300 . 1 . . . . 242 LEU N . 18095 1 391 . 1 1 30 30 GLN H H 1 7.284 0.020 . 1 . . . . 243 GLN H . 18095 1 392 . 1 1 30 30 GLN HA H 1 4.084 0.020 . 1 . . . . 243 GLN HA . 18095 1 393 . 1 1 30 30 GLN HB2 H 1 1.857 0.020 . 1 . . . . 243 GLN HB2 . 18095 1 394 . 1 1 30 30 GLN HB3 H 1 2.263 0.020 . 1 . . . . 243 GLN HB3 . 18095 1 395 . 1 1 30 30 GLN HG2 H 1 1.421 0.020 . 2 . . . . 243 GLN HG2 . 18095 1 396 . 1 1 30 30 GLN HG3 H 1 1.243 0.020 . 2 . . . . 243 GLN HG3 . 18095 1 397 . 1 1 30 30 GLN HE21 H 1 6.363 0.020 . 2 . . . . 243 GLN HE21 . 18095 1 398 . 1 1 30 30 GLN HE22 H 1 5.721 0.020 . 2 . . . . 243 GLN HE22 . 18095 1 399 . 1 1 30 30 GLN C C 13 176.566 0.300 . 1 . . . . 243 GLN C . 18095 1 400 . 1 1 30 30 GLN CA C 13 54.743 0.300 . 1 . . . . 243 GLN CA . 18095 1 401 . 1 1 30 30 GLN CB C 13 28.419 0.300 . 1 . . . . 243 GLN CB . 18095 1 402 . 1 1 30 30 GLN CG C 13 32.827 0.300 . 1 . . . . 243 GLN CG . 18095 1 403 . 1 1 30 30 GLN N N 15 114.935 0.300 . 1 . . . . 243 GLN N . 18095 1 404 . 1 1 30 30 GLN NE2 N 15 112.984 0.300 . 1 . . . . 243 GLN NE2 . 18095 1 405 . 1 1 31 31 GLY H H 1 7.880 0.020 . 1 . . . . 244 GLY H . 18095 1 406 . 1 1 31 31 GLY HA2 H 1 4.254 0.020 . 2 . . . . 244 GLY HA2 . 18095 1 407 . 1 1 31 31 GLY HA3 H 1 3.811 0.020 . 2 . . . . 244 GLY HA3 . 18095 1 408 . 1 1 31 31 GLY C C 13 174.261 0.300 . 1 . . . . 244 GLY C . 18095 1 409 . 1 1 31 31 GLY CA C 13 45.416 0.300 . 1 . . . . 244 GLY CA . 18095 1 410 . 1 1 31 31 GLY N N 15 106.984 0.300 . 1 . . . . 244 GLY N . 18095 1 411 . 1 1 32 32 SER H H 1 7.967 0.020 . 1 . . . . 245 SER H . 18095 1 412 . 1 1 32 32 SER HA H 1 4.748 0.020 . 1 . . . . 245 SER HA . 18095 1 413 . 1 1 32 32 SER HB2 H 1 3.826 0.020 . 2 . . . . 245 SER HB2 . 18095 1 414 . 1 1 32 32 SER HB3 H 1 3.774 0.020 . 2 . . . . 245 SER HB3 . 18095 1 415 . 1 1 32 32 SER C C 13 172.785 0.300 . 1 . . . . 245 SER C . 18095 1 416 . 1 1 32 32 SER CA C 13 55.630 0.300 . 1 . . . . 245 SER CA . 18095 1 417 . 1 1 32 32 SER CB C 13 64.455 0.300 . 1 . . . . 245 SER CB . 18095 1 418 . 1 1 32 32 SER N N 15 115.512 0.300 . 1 . . . . 245 SER N . 18095 1 419 . 1 1 33 33 SER H H 1 8.366 0.020 . 1 . . . . 246 SER H . 18095 1 420 . 1 1 33 33 SER HA H 1 4.401 0.020 . 1 . . . . 246 SER HA . 18095 1 421 . 1 1 33 33 SER HB2 H 1 3.819 0.020 . 2 . . . . 246 SER HB2 . 18095 1 422 . 1 1 33 33 SER HB3 H 1 3.679 0.020 . 2 . . . . 246 SER HB3 . 18095 1 423 . 1 1 33 33 SER C C 13 173.735 0.300 . 1 . . . . 246 SER C . 18095 1 424 . 1 1 33 33 SER CA C 13 58.054 0.300 . 1 . . . . 246 SER CA . 18095 1 425 . 1 1 33 33 SER CB C 13 64.069 0.300 . 1 . . . . 246 SER CB . 18095 1 426 . 1 1 33 33 SER N N 15 115.591 0.300 . 1 . . . . 246 SER N . 18095 1 427 . 1 1 34 34 LEU H H 1 9.053 0.020 . 1 . . . . 247 LEU H . 18095 1 428 . 1 1 34 34 LEU HA H 1 3.959 0.020 . 1 . . . . 247 LEU HA . 18095 1 429 . 1 1 34 34 LEU HB2 H 1 1.929 0.020 . 1 . . . . 247 LEU HB2 . 18095 1 430 . 1 1 34 34 LEU HB3 H 1 1.261 0.020 . 1 . . . . 247 LEU HB3 . 18095 1 431 . 1 1 34 34 LEU HG H 1 1.000 0.020 . 1 . . . . 247 LEU HG . 18095 1 432 . 1 1 34 34 LEU HD11 H 1 0.824 0.020 . 2 . . . . 247 LEU HD11 . 18095 1 433 . 1 1 34 34 LEU HD12 H 1 0.824 0.020 . 2 . . . . 247 LEU HD12 . 18095 1 434 . 1 1 34 34 LEU HD13 H 1 0.824 0.020 . 2 . . . . 247 LEU HD13 . 18095 1 435 . 1 1 34 34 LEU HD21 H 1 0.646 0.020 . 2 . . . . 247 LEU HD21 . 18095 1 436 . 1 1 34 34 LEU HD22 H 1 0.646 0.020 . 2 . . . . 247 LEU HD22 . 18095 1 437 . 1 1 34 34 LEU HD23 H 1 0.646 0.020 . 2 . . . . 247 LEU HD23 . 18095 1 438 . 1 1 34 34 LEU C C 13 175.285 0.300 . 1 . . . . 247 LEU C . 18095 1 439 . 1 1 34 34 LEU CA C 13 55.582 0.300 . 1 . . . . 247 LEU CA . 18095 1 440 . 1 1 34 34 LEU CB C 13 42.936 0.300 . 1 . . . . 247 LEU CB . 18095 1 441 . 1 1 34 34 LEU CG C 13 26.842 0.300 . 1 . . . . 247 LEU CG . 18095 1 442 . 1 1 34 34 LEU CD1 C 13 23.397 0.300 . 1 . . . . 247 LEU CD1 . 18095 1 443 . 1 1 34 34 LEU CD2 C 13 23.666 0.300 . 1 . . . . 247 LEU CD2 . 18095 1 444 . 1 1 34 34 LEU N N 15 125.274 0.300 . 1 . . . . 247 LEU N . 18095 1 445 . 1 1 35 35 LYS H H 1 8.121 0.020 . 1 . . . . 248 LYS H . 18095 1 446 . 1 1 35 35 LYS HA H 1 4.468 0.020 . 1 . . . . 248 LYS HA . 18095 1 447 . 1 1 35 35 LYS HB2 H 1 1.580 0.020 . 2 . . . . 248 LYS HB2 . 18095 1 448 . 1 1 35 35 LYS HB3 H 1 1.530 0.020 . 2 . . . . 248 LYS HB3 . 18095 1 449 . 1 1 35 35 LYS HG2 H 1 1.188 0.020 . 2 . . . . 248 LYS HG2 . 18095 1 450 . 1 1 35 35 LYS HG3 H 1 1.188 0.020 . 2 . . . . 248 LYS HG3 . 18095 1 451 . 1 1 35 35 LYS HD2 H 1 1.565 0.020 . 2 . . . . 248 LYS HD2 . 18095 1 452 . 1 1 35 35 LYS HD3 H 1 1.565 0.020 . 2 . . . . 248 LYS HD3 . 18095 1 453 . 1 1 35 35 LYS HE2 H 1 2.902 0.020 . 2 . . . . 248 LYS HE2 . 18095 1 454 . 1 1 35 35 LYS HE3 H 1 2.902 0.020 . 2 . . . . 248 LYS HE3 . 18095 1 455 . 1 1 35 35 LYS C C 13 175.202 0.300 . 1 . . . . 248 LYS C . 18095 1 456 . 1 1 35 35 LYS CA C 13 54.318 0.300 . 1 . . . . 248 LYS CA . 18095 1 457 . 1 1 35 35 LYS CB C 13 33.226 0.300 . 1 . . . . 248 LYS CB . 18095 1 458 . 1 1 35 35 LYS CG C 13 24.539 0.300 . 1 . . . . 248 LYS CG . 18095 1 459 . 1 1 35 35 LYS CD C 13 28.885 0.300 . 1 . . . . 248 LYS CD . 18095 1 460 . 1 1 35 35 LYS CE C 13 42.277 0.300 . 1 . . . . 248 LYS CE . 18095 1 461 . 1 1 35 35 LYS N N 15 129.804 0.300 . 1 . . . . 248 LYS N . 18095 1 462 . 1 1 36 36 ILE H H 1 8.674 0.020 . 1 . . . . 249 ILE H . 18095 1 463 . 1 1 36 36 ILE HA H 1 3.991 0.020 . 1 . . . . 249 ILE HA . 18095 1 464 . 1 1 36 36 ILE HB H 1 1.864 0.020 . 1 . . . . 249 ILE HB . 18095 1 465 . 1 1 36 36 ILE HG12 H 1 1.134 0.020 . 1 . . . . 249 ILE HG12 . 18095 1 466 . 1 1 36 36 ILE HG13 H 1 1.622 0.020 . 1 . . . . 249 ILE HG13 . 18095 1 467 . 1 1 36 36 ILE HG21 H 1 1.097 0.020 . 1 . . . . 249 ILE HG21 . 18095 1 468 . 1 1 36 36 ILE HG22 H 1 1.097 0.020 . 1 . . . . 249 ILE HG22 . 18095 1 469 . 1 1 36 36 ILE HG23 H 1 1.097 0.020 . 1 . . . . 249 ILE HG23 . 18095 1 470 . 1 1 36 36 ILE HD11 H 1 0.918 0.020 . 1 . . . . 249 ILE HD11 . 18095 1 471 . 1 1 36 36 ILE HD12 H 1 0.918 0.020 . 1 . . . . 249 ILE HD12 . 18095 1 472 . 1 1 36 36 ILE HD13 H 1 0.918 0.020 . 1 . . . . 249 ILE HD13 . 18095 1 473 . 1 1 36 36 ILE CA C 13 59.083 0.300 . 1 . . . . 249 ILE CA . 18095 1 474 . 1 1 36 36 ILE CB C 13 37.635 0.300 . 1 . . . . 249 ILE CB . 18095 1 475 . 1 1 36 36 ILE CG1 C 13 28.156 0.300 . 1 . . . . 249 ILE CG1 . 18095 1 476 . 1 1 36 36 ILE CG2 C 13 18.047 0.300 . 1 . . . . 249 ILE CG2 . 18095 1 477 . 1 1 36 36 ILE CD1 C 13 12.251 0.300 . 1 . . . . 249 ILE CD1 . 18095 1 478 . 1 1 36 36 ILE N N 15 126.783 0.300 . 1 . . . . 249 ILE N . 18095 1 479 . 1 1 37 37 PRO HA H 1 4.372 0.020 . 1 . . . . 250 PRO HA . 18095 1 480 . 1 1 37 37 PRO HB2 H 1 1.820 0.020 . 1 . . . . 250 PRO HB2 . 18095 1 481 . 1 1 37 37 PRO HB3 H 1 1.215 0.020 . 1 . . . . 250 PRO HB3 . 18095 1 482 . 1 1 37 37 PRO HG2 H 1 1.062 0.020 . 2 . . . . 250 PRO HG2 . 18095 1 483 . 1 1 37 37 PRO HG3 H 1 1.062 0.020 . 2 . . . . 250 PRO HG3 . 18095 1 484 . 1 1 37 37 PRO HD2 H 1 3.945 0.020 . 2 . . . . 250 PRO HD2 . 18095 1 485 . 1 1 37 37 PRO HD3 H 1 3.263 0.020 . 2 . . . . 250 PRO HD3 . 18095 1 486 . 1 1 37 37 PRO C C 13 174.538 0.300 . 1 . . . . 250 PRO C . 18095 1 487 . 1 1 37 37 PRO CA C 13 62.193 0.300 . 1 . . . . 250 PRO CA . 18095 1 488 . 1 1 37 37 PRO CB C 13 32.576 0.300 . 1 . . . . 250 PRO CB . 18095 1 489 . 1 1 37 37 PRO CG C 13 26.316 0.300 . 1 . . . . 250 PRO CG . 18095 1 490 . 1 1 37 37 PRO CD C 13 50.351 0.300 . 1 . . . . 250 PRO CD . 18095 1 491 . 1 1 38 38 MET H H 1 8.299 0.020 . 1 . . . . 251 MET H . 18095 1 492 . 1 1 38 38 MET HA H 1 4.763 0.020 . 1 . . . . 251 MET HA . 18095 1 493 . 1 1 38 38 MET HB2 H 1 1.938 0.020 . 1 . . . . 251 MET HB2 . 18095 1 494 . 1 1 38 38 MET HB3 H 1 1.548 0.020 . 1 . . . . 251 MET HB3 . 18095 1 495 . 1 1 38 38 MET HG2 H 1 2.504 0.020 . 2 . . . . 251 MET HG2 . 18095 1 496 . 1 1 38 38 MET HG3 H 1 2.504 0.020 . 2 . . . . 251 MET HG3 . 18095 1 497 . 1 1 38 38 MET HE1 H 1 2.301 0.020 . 1 . . . . 251 MET HE1 . 18095 1 498 . 1 1 38 38 MET HE2 H 1 2.301 0.020 . 1 . . . . 251 MET HE2 . 18095 1 499 . 1 1 38 38 MET HE3 H 1 2.301 0.020 . 1 . . . . 251 MET HE3 . 18095 1 500 . 1 1 38 38 MET C C 13 176.686 0.300 . 1 . . . . 251 MET C . 18095 1 501 . 1 1 38 38 MET CA C 13 53.694 0.300 . 1 . . . . 251 MET CA . 18095 1 502 . 1 1 38 38 MET CB C 13 33.330 0.300 . 1 . . . . 251 MET CB . 18095 1 503 . 1 1 38 38 MET CG C 13 31.626 0.300 . 1 . . . . 251 MET CG . 18095 1 504 . 1 1 38 38 MET CE C 13 17.536 0.300 . 1 . . . . 251 MET CE . 18095 1 505 . 1 1 38 38 MET N N 15 117.438 0.300 . 1 . . . . 251 MET N . 18095 1 506 . 1 1 39 39 VAL H H 1 8.914 0.020 . 1 . . . . 252 VAL H . 18095 1 507 . 1 1 39 39 VAL HA H 1 4.195 0.020 . 1 . . . . 252 VAL HA . 18095 1 508 . 1 1 39 39 VAL HB H 1 1.972 0.020 . 1 . . . . 252 VAL HB . 18095 1 509 . 1 1 39 39 VAL HG11 H 1 0.576 0.020 . 1 . . . . 252 VAL HG11 . 18095 1 510 . 1 1 39 39 VAL HG12 H 1 0.576 0.020 . 1 . . . . 252 VAL HG12 . 18095 1 511 . 1 1 39 39 VAL HG13 H 1 0.576 0.020 . 1 . . . . 252 VAL HG13 . 18095 1 512 . 1 1 39 39 VAL HG21 H 1 0.837 0.020 . 1 . . . . 252 VAL HG21 . 18095 1 513 . 1 1 39 39 VAL HG22 H 1 0.837 0.020 . 1 . . . . 252 VAL HG22 . 18095 1 514 . 1 1 39 39 VAL HG23 H 1 0.837 0.020 . 1 . . . . 252 VAL HG23 . 18095 1 515 . 1 1 39 39 VAL C C 13 175.266 0.300 . 1 . . . . 252 VAL C . 18095 1 516 . 1 1 39 39 VAL CA C 13 61.806 0.300 . 1 . . . . 252 VAL CA . 18095 1 517 . 1 1 39 39 VAL CB C 13 34.563 0.300 . 1 . . . . 252 VAL CB . 18095 1 518 . 1 1 39 39 VAL CG1 C 13 21.009 0.300 . 1 . . . . 252 VAL CG1 . 18095 1 519 . 1 1 39 39 VAL CG2 C 13 22.770 0.300 . 1 . . . . 252 VAL CG2 . 18095 1 520 . 1 1 39 39 VAL N N 15 124.530 0.300 . 1 . . . . 252 VAL N . 18095 1 521 . 1 1 40 40 GLU H H 1 9.482 0.020 . 1 . . . . 253 GLU H . 18095 1 522 . 1 1 40 40 GLU HA H 1 3.767 0.020 . 1 . . . . 253 GLU HA . 18095 1 523 . 1 1 40 40 GLU HB2 H 1 2.388 0.020 . 1 . . . . 253 GLU HB2 . 18095 1 524 . 1 1 40 40 GLU HB3 H 1 2.159 0.020 . 1 . . . . 253 GLU HB3 . 18095 1 525 . 1 1 40 40 GLU HG2 H 1 2.282 0.020 . 2 . . . . 253 GLU HG2 . 18095 1 526 . 1 1 40 40 GLU HG3 H 1 2.105 0.020 . 2 . . . . 253 GLU HG3 . 18095 1 527 . 1 1 40 40 GLU C C 13 175.414 0.300 . 1 . . . . 253 GLU C . 18095 1 528 . 1 1 40 40 GLU CA C 13 57.355 0.300 . 1 . . . . 253 GLU CA . 18095 1 529 . 1 1 40 40 GLU CB C 13 27.203 0.300 . 1 . . . . 253 GLU CB . 18095 1 530 . 1 1 40 40 GLU CG C 13 36.550 0.300 . 1 . . . . 253 GLU CG . 18095 1 531 . 1 1 40 40 GLU N N 15 126.297 0.300 . 1 . . . . 253 GLU N . 18095 1 532 . 1 1 41 41 ARG H H 1 8.651 0.020 . 1 . . . . 254 ARG H . 18095 1 533 . 1 1 41 41 ARG HA H 1 3.707 0.020 . 1 . . . . 254 ARG HA . 18095 1 534 . 1 1 41 41 ARG HB2 H 1 2.184 0.020 . 2 . . . . 254 ARG HB2 . 18095 1 535 . 1 1 41 41 ARG HB3 H 1 2.055 0.020 . 2 . . . . 254 ARG HB3 . 18095 1 536 . 1 1 41 41 ARG C C 13 174.777 0.300 . 1 . . . . 254 ARG C . 18095 1 537 . 1 1 41 41 ARG CA C 13 58.105 0.300 . 1 . . . . 254 ARG CA . 18095 1 538 . 1 1 41 41 ARG CB C 13 27.337 0.300 . 1 . . . . 254 ARG CB . 18095 1 539 . 1 1 41 41 ARG CG C 13 28.093 0.300 . 1 . . . . 254 ARG CG . 18095 1 540 . 1 1 41 41 ARG CD C 13 43.089 0.300 . 1 . . . . 254 ARG CD . 18095 1 541 . 1 1 41 41 ARG N N 15 107.598 0.300 . 1 . . . . 254 ARG N . 18095 1 542 . 1 1 42 42 LYS H H 1 7.718 0.020 . 1 . . . . 255 LYS H . 18095 1 543 . 1 1 42 42 LYS HA H 1 4.674 0.020 . 1 . . . . 255 LYS HA . 18095 1 544 . 1 1 42 42 LYS HB2 H 1 1.905 0.020 . 2 . . . . 255 LYS HB2 . 18095 1 545 . 1 1 42 42 LYS HB3 H 1 1.798 0.020 . 2 . . . . 255 LYS HB3 . 18095 1 546 . 1 1 42 42 LYS HG2 H 1 1.513 0.020 . 2 . . . . 255 LYS HG2 . 18095 1 547 . 1 1 42 42 LYS HG3 H 1 1.513 0.020 . 2 . . . . 255 LYS HG3 . 18095 1 548 . 1 1 42 42 LYS HD2 H 1 1.563 0.020 . 2 . . . . 255 LYS HD2 . 18095 1 549 . 1 1 42 42 LYS HD3 H 1 1.563 0.020 . 2 . . . . 255 LYS HD3 . 18095 1 550 . 1 1 42 42 LYS HE2 H 1 2.905 0.020 . 2 . . . . 255 LYS HE2 . 18095 1 551 . 1 1 42 42 LYS HE3 H 1 2.905 0.020 . 2 . . . . 255 LYS HE3 . 18095 1 552 . 1 1 42 42 LYS C C 13 175.146 0.300 . 1 . . . . 255 LYS C . 18095 1 553 . 1 1 42 42 LYS CA C 13 54.743 0.300 . 1 . . . . 255 LYS CA . 18095 1 554 . 1 1 42 42 LYS CB C 13 36.392 0.300 . 1 . . . . 255 LYS CB . 18095 1 555 . 1 1 42 42 LYS CG C 13 24.967 0.300 . 1 . . . . 255 LYS CG . 18095 1 556 . 1 1 42 42 LYS CD C 13 28.962 0.300 . 1 . . . . 255 LYS CD . 18095 1 557 . 1 1 42 42 LYS CE C 13 42.004 0.300 . 1 . . . . 255 LYS CE . 18095 1 558 . 1 1 42 42 LYS N N 15 118.768 0.300 . 1 . . . . 255 LYS N . 18095 1 559 . 1 1 43 43 ALA H H 1 8.762 0.020 . 1 . . . . 256 ALA H . 18095 1 560 . 1 1 43 43 ALA HA H 1 4.321 0.020 . 1 . . . . 256 ALA HA . 18095 1 561 . 1 1 43 43 ALA HB1 H 1 1.261 0.020 . 1 . . . . 256 ALA HB1 . 18095 1 562 . 1 1 43 43 ALA HB2 H 1 1.261 0.020 . 1 . . . . 256 ALA HB2 . 18095 1 563 . 1 1 43 43 ALA HB3 H 1 1.261 0.020 . 1 . . . . 256 ALA HB3 . 18095 1 564 . 1 1 43 43 ALA C C 13 178.604 0.300 . 1 . . . . 256 ALA C . 18095 1 565 . 1 1 43 43 ALA CA C 13 53.341 0.300 . 1 . . . . 256 ALA CA . 18095 1 566 . 1 1 43 43 ALA CB C 13 18.347 0.300 . 1 . . . . 256 ALA CB . 18095 1 567 . 1 1 43 43 ALA N N 15 126.745 0.300 . 1 . . . . 256 ALA N . 18095 1 568 . 1 1 44 44 LEU H H 1 8.397 0.020 . 1 . . . . 257 LEU H . 18095 1 569 . 1 1 44 44 LEU HA H 1 4.180 0.020 . 1 . . . . 257 LEU HA . 18095 1 570 . 1 1 44 44 LEU HB2 H 1 1.149 0.020 . 1 . . . . 257 LEU HB2 . 18095 1 571 . 1 1 44 44 LEU HB3 H 1 1.684 0.020 . 1 . . . . 257 LEU HB3 . 18095 1 572 . 1 1 44 44 LEU HD11 H 1 0.810 0.020 . 2 . . . . 257 LEU HD11 . 18095 1 573 . 1 1 44 44 LEU HD12 H 1 0.810 0.020 . 2 . . . . 257 LEU HD12 . 18095 1 574 . 1 1 44 44 LEU HD13 H 1 0.810 0.020 . 2 . . . . 257 LEU HD13 . 18095 1 575 . 1 1 44 44 LEU HD21 H 1 0.701 0.020 . 2 . . . . 257 LEU HD21 . 18095 1 576 . 1 1 44 44 LEU HD22 H 1 0.701 0.020 . 2 . . . . 257 LEU HD22 . 18095 1 577 . 1 1 44 44 LEU HD23 H 1 0.701 0.020 . 2 . . . . 257 LEU HD23 . 18095 1 578 . 1 1 44 44 LEU C C 13 175.146 0.300 . 1 . . . . 257 LEU C . 18095 1 579 . 1 1 44 44 LEU CA C 13 55.245 0.300 . 1 . . . . 257 LEU CA . 18095 1 580 . 1 1 44 44 LEU CB C 13 43.351 0.300 . 1 . . . . 257 LEU CB . 18095 1 581 . 1 1 44 44 LEU CG C 13 26.842 0.300 . 1 . . . . 257 LEU CG . 18095 1 582 . 1 1 44 44 LEU CD1 C 13 26.582 0.300 . 1 . . . . 257 LEU CD1 . 18095 1 583 . 1 1 44 44 LEU CD2 C 13 26.324 0.300 . 1 . . . . 257 LEU CD2 . 18095 1 584 . 1 1 44 44 LEU N N 15 125.939 0.300 . 1 . . . . 257 LEU N . 18095 1 585 . 1 1 45 45 ASP H H 1 8.766 0.020 . 1 . . . . 258 ASP H . 18095 1 586 . 1 1 45 45 ASP HA H 1 4.755 0.020 . 1 . . . . 258 ASP HA . 18095 1 587 . 1 1 45 45 ASP HB2 H 1 2.735 0.020 . 1 . . . . 258 ASP HB2 . 18095 1 588 . 1 1 45 45 ASP HB3 H 1 3.099 0.020 . 1 . . . . 258 ASP HB3 . 18095 1 589 . 1 1 45 45 ASP C C 13 175.478 0.300 . 1 . . . . 258 ASP C . 18095 1 590 . 1 1 45 45 ASP CA C 13 52.370 0.300 . 1 . . . . 258 ASP CA . 18095 1 591 . 1 1 45 45 ASP CB C 13 39.456 0.300 . 1 . . . . 258 ASP CB . 18095 1 592 . 1 1 45 45 ASP N N 15 126.703 0.300 . 1 . . . . 258 ASP N . 18095 1 593 . 1 1 46 46 LEU H H 1 8.116 0.020 . 1 . . . . 259 LEU H . 18095 1 594 . 1 1 46 46 LEU HA H 1 3.981 0.020 . 1 . . . . 259 LEU HA . 18095 1 595 . 1 1 46 46 LEU HB2 H 1 1.968 0.020 . 2 . . . . 259 LEU HB2 . 18095 1 596 . 1 1 46 46 LEU HB3 H 1 1.577 0.020 . 2 . . . . 259 LEU HB3 . 18095 1 597 . 1 1 46 46 LEU HD11 H 1 1.002 0.020 . 1 . . . . 259 LEU HD11 . 18095 1 598 . 1 1 46 46 LEU HD12 H 1 1.002 0.020 . 1 . . . . 259 LEU HD12 . 18095 1 599 . 1 1 46 46 LEU HD13 H 1 1.002 0.020 . 1 . . . . 259 LEU HD13 . 18095 1 600 . 1 1 46 46 LEU HD21 H 1 0.812 0.020 . 1 . . . . 259 LEU HD21 . 18095 1 601 . 1 1 46 46 LEU HD22 H 1 0.812 0.020 . 1 . . . . 259 LEU HD22 . 18095 1 602 . 1 1 46 46 LEU HD23 H 1 0.812 0.020 . 1 . . . . 259 LEU HD23 . 18095 1 603 . 1 1 46 46 LEU C C 13 177.894 0.300 . 1 . . . . 259 LEU C . 18095 1 604 . 1 1 46 46 LEU CA C 13 57.778 0.300 . 1 . . . . 259 LEU CA . 18095 1 605 . 1 1 46 46 LEU CB C 13 43.209 0.300 . 1 . . . . 259 LEU CB . 18095 1 606 . 1 1 46 46 LEU CG C 13 27.284 0.300 . 1 . . . . 259 LEU CG . 18095 1 607 . 1 1 46 46 LEU CD1 C 13 27.140 0.300 . 1 . . . . 259 LEU CD1 . 18095 1 608 . 1 1 46 46 LEU CD2 C 13 23.281 0.300 . 1 . . . . 259 LEU CD2 . 18095 1 609 . 1 1 46 46 LEU N N 15 125.336 0.300 . 1 . . . . 259 LEU N . 18095 1 610 . 1 1 47 47 TYR H H 1 8.477 0.020 . 1 . . . . 260 TYR H . 18095 1 611 . 1 1 47 47 TYR HA H 1 3.682 0.020 . 1 . . . . 260 TYR HA . 18095 1 612 . 1 1 47 47 TYR HB2 H 1 3.116 0.020 . 2 . . . . 260 TYR HB2 . 18095 1 613 . 1 1 47 47 TYR HB3 H 1 3.015 0.020 . 2 . . . . 260 TYR HB3 . 18095 1 614 . 1 1 47 47 TYR HD1 H 1 6.739 0.020 . 1 . . . . 260 TYR HD1 . 18095 1 615 . 1 1 47 47 TYR HD2 H 1 6.739 0.020 . 1 . . . . 260 TYR HD2 . 18095 1 616 . 1 1 47 47 TYR HE1 H 1 6.700 0.020 . 1 . . . . 260 TYR HE1 . 18095 1 617 . 1 1 47 47 TYR HE2 H 1 6.700 0.020 . 1 . . . . 260 TYR HE2 . 18095 1 618 . 1 1 47 47 TYR C C 13 176.631 0.300 . 1 . . . . 260 TYR C . 18095 1 619 . 1 1 47 47 TYR CA C 13 61.747 0.300 . 1 . . . . 260 TYR CA . 18095 1 620 . 1 1 47 47 TYR CB C 13 38.406 0.300 . 1 . . . . 260 TYR CB . 18095 1 621 . 1 1 47 47 TYR CD1 C 13 132.990 0.300 . 1 . . . . 260 TYR CD1 . 18095 1 622 . 1 1 47 47 TYR CE1 C 13 118.138 0.300 . 1 . . . . 260 TYR CE1 . 18095 1 623 . 1 1 47 47 TYR N N 15 117.813 0.300 . 1 . . . . 260 TYR N . 18095 1 624 . 1 1 48 48 THR H H 1 7.916 0.020 . 1 . . . . 261 THR H . 18095 1 625 . 1 1 48 48 THR HA H 1 3.827 0.020 . 1 . . . . 261 THR HA . 18095 1 626 . 1 1 48 48 THR HB H 1 3.550 0.020 . 1 . . . . 261 THR HB . 18095 1 627 . 1 1 48 48 THR HG21 H 1 1.306 0.020 . 1 . . . . 261 THR HG21 . 18095 1 628 . 1 1 48 48 THR HG22 H 1 1.306 0.020 . 1 . . . . 261 THR HG22 . 18095 1 629 . 1 1 48 48 THR HG23 H 1 1.306 0.020 . 1 . . . . 261 THR HG23 . 18095 1 630 . 1 1 48 48 THR C C 13 175.146 0.300 . 1 . . . . 261 THR C . 18095 1 631 . 1 1 48 48 THR CA C 13 67.637 0.300 . 1 . . . . 261 THR CA . 18095 1 632 . 1 1 48 48 THR CB C 13 67.215 0.300 . 1 . . . . 261 THR CB . 18095 1 633 . 1 1 48 48 THR CG2 C 13 22.835 0.300 . 1 . . . . 261 THR CG2 . 18095 1 634 . 1 1 48 48 THR N N 15 118.866 0.300 . 1 . . . . 261 THR N . 18095 1 635 . 1 1 49 49 LEU H H 1 8.140 0.020 . 1 . . . . 262 LEU H . 18095 1 636 . 1 1 49 49 LEU HA H 1 4.379 0.020 . 1 . . . . 262 LEU HA . 18095 1 637 . 1 1 49 49 LEU HB2 H 1 1.569 0.020 . 1 . . . . 262 LEU HB2 . 18095 1 638 . 1 1 49 49 LEU HB3 H 1 2.108 0.020 . 1 . . . . 262 LEU HB3 . 18095 1 639 . 1 1 49 49 LEU C C 13 177.009 0.300 . 1 . . . . 262 LEU C . 18095 1 640 . 1 1 49 49 LEU CA C 13 58.716 0.300 . 1 . . . . 262 LEU CA . 18095 1 641 . 1 1 49 49 LEU CB C 13 42.050 0.300 . 1 . . . . 262 LEU CB . 18095 1 642 . 1 1 49 49 LEU CG C 13 28.829 0.300 . 1 . . . . 262 LEU CG . 18095 1 643 . 1 1 49 49 LEU N N 15 120.913 0.300 . 1 . . . . 262 LEU N . 18095 1 644 . 1 1 50 50 HIS H H 1 8.079 0.020 . 1 . . . . 263 HIS H . 18095 1 645 . 1 1 50 50 HIS HA H 1 4.489 0.020 . 1 . . . . 263 HIS HA . 18095 1 646 . 1 1 50 50 HIS HB2 H 1 3.263 0.020 . 1 . . . . 263 HIS HB2 . 18095 1 647 . 1 1 50 50 HIS HB3 H 1 3.128 0.020 . 1 . . . . 263 HIS HB3 . 18095 1 648 . 1 1 50 50 HIS HD2 H 1 6.599 0.020 . 1 . . . . 263 HIS HD2 . 18095 1 649 . 1 1 50 50 HIS C C 13 176.640 0.300 . 1 . . . . 263 HIS C . 18095 1 650 . 1 1 50 50 HIS CA C 13 60.910 0.300 . 1 . . . . 263 HIS CA . 18095 1 651 . 1 1 50 50 HIS CB C 13 30.350 0.300 . 1 . . . . 263 HIS CB . 18095 1 652 . 1 1 50 50 HIS CD2 C 13 129.378 0.300 . 1 . . . . 263 HIS CD2 . 18095 1 653 . 1 1 50 50 HIS N N 15 116.373 0.300 . 1 . . . . 263 HIS N . 18095 1 654 . 1 1 51 51 ARG H H 1 8.242 0.020 . 1 . . . . 264 ARG H . 18095 1 655 . 1 1 51 51 ARG HA H 1 3.564 0.020 . 1 . . . . 264 ARG HA . 18095 1 656 . 1 1 51 51 ARG HB2 H 1 1.480 0.020 . 1 . . . . 264 ARG HB2 . 18095 1 657 . 1 1 51 51 ARG HB3 H 1 1.713 0.020 . 1 . . . . 264 ARG HB3 . 18095 1 658 . 1 1 51 51 ARG HG2 H 1 1.410 0.020 . 2 . . . . 264 ARG HG2 . 18095 1 659 . 1 1 51 51 ARG HG3 H 1 1.288 0.020 . 2 . . . . 264 ARG HG3 . 18095 1 660 . 1 1 51 51 ARG HD2 H 1 3.093 0.020 . 2 . . . . 264 ARG HD2 . 18095 1 661 . 1 1 51 51 ARG HD3 H 1 2.944 0.020 . 2 . . . . 264 ARG HD3 . 18095 1 662 . 1 1 51 51 ARG C C 13 179.305 0.300 . 1 . . . . 264 ARG C . 18095 1 663 . 1 1 51 51 ARG CA C 13 59.263 0.300 . 1 . . . . 264 ARG CA . 18095 1 664 . 1 1 51 51 ARG CB C 13 29.798 0.300 . 1 . . . . 264 ARG CB . 18095 1 665 . 1 1 51 51 ARG CG C 13 26.755 0.300 . 1 . . . . 264 ARG CG . 18095 1 666 . 1 1 51 51 ARG CD C 13 42.929 0.300 . 1 . . . . 264 ARG CD . 18095 1 667 . 1 1 51 51 ARG N N 15 119.190 0.300 . 1 . . . . 264 ARG N . 18095 1 668 . 1 1 52 52 ILE H H 1 8.680 0.020 . 1 . . . . 265 ILE H . 18095 1 669 . 1 1 52 52 ILE HA H 1 3.510 0.020 . 1 . . . . 265 ILE HA . 18095 1 670 . 1 1 52 52 ILE HB H 1 1.879 0.020 . 1 . . . . 265 ILE HB . 18095 1 671 . 1 1 52 52 ILE HG12 H 1 1.647 0.020 . 1 . . . . 265 ILE HG12 . 18095 1 672 . 1 1 52 52 ILE HG13 H 1 1.062 0.020 . 1 . . . . 265 ILE HG13 . 18095 1 673 . 1 1 52 52 ILE HG21 H 1 0.871 0.020 . 1 . . . . 265 ILE HG21 . 18095 1 674 . 1 1 52 52 ILE HG22 H 1 0.871 0.020 . 1 . . . . 265 ILE HG22 . 18095 1 675 . 1 1 52 52 ILE HG23 H 1 0.871 0.020 . 1 . . . . 265 ILE HG23 . 18095 1 676 . 1 1 52 52 ILE HD11 H 1 0.720 0.020 . 1 . . . . 265 ILE HD11 . 18095 1 677 . 1 1 52 52 ILE HD12 H 1 0.720 0.020 . 1 . . . . 265 ILE HD12 . 18095 1 678 . 1 1 52 52 ILE HD13 H 1 0.720 0.020 . 1 . . . . 265 ILE HD13 . 18095 1 679 . 1 1 52 52 ILE C C 13 177.802 0.300 . 1 . . . . 265 ILE C . 18095 1 680 . 1 1 52 52 ILE CA C 13 64.922 0.300 . 1 . . . . 265 ILE CA . 18095 1 681 . 1 1 52 52 ILE CB C 13 37.464 0.300 . 1 . . . . 265 ILE CB . 18095 1 682 . 1 1 52 52 ILE CG1 C 13 29.368 0.300 . 1 . . . . 265 ILE CG1 . 18095 1 683 . 1 1 52 52 ILE CG2 C 13 19.199 0.300 . 1 . . . . 265 ILE CG2 . 18095 1 684 . 1 1 52 52 ILE CD1 C 13 13.846 0.300 . 1 . . . . 265 ILE CD1 . 18095 1 685 . 1 1 52 52 ILE N N 15 119.519 0.300 . 1 . . . . 265 ILE N . 18095 1 686 . 1 1 53 53 VAL H H 1 8.173 0.020 . 1 . . . . 266 VAL H . 18095 1 687 . 1 1 53 53 VAL HA H 1 3.055 0.020 . 1 . . . . 266 VAL HA . 18095 1 688 . 1 1 53 53 VAL HB H 1 2.105 0.020 . 1 . . . . 266 VAL HB . 18095 1 689 . 1 1 53 53 VAL HG11 H 1 0.164 0.020 . 1 . . . . 266 VAL HG11 . 18095 1 690 . 1 1 53 53 VAL HG12 H 1 0.164 0.020 . 1 . . . . 266 VAL HG12 . 18095 1 691 . 1 1 53 53 VAL HG13 H 1 0.164 0.020 . 1 . . . . 266 VAL HG13 . 18095 1 692 . 1 1 53 53 VAL HG21 H 1 0.843 0.020 . 1 . . . . 266 VAL HG21 . 18095 1 693 . 1 1 53 53 VAL HG22 H 1 0.843 0.020 . 1 . . . . 266 VAL HG22 . 18095 1 694 . 1 1 53 53 VAL HG23 H 1 0.843 0.020 . 1 . . . . 266 VAL HG23 . 18095 1 695 . 1 1 53 53 VAL C C 13 179.158 0.300 . 1 . . . . 266 VAL C . 18095 1 696 . 1 1 53 53 VAL CA C 13 66.994 0.300 . 1 . . . . 266 VAL CA . 18095 1 697 . 1 1 53 53 VAL CB C 13 30.737 0.300 . 1 . . . . 266 VAL CB . 18095 1 698 . 1 1 53 53 VAL CG1 C 13 19.430 0.300 . 1 . . . . 266 VAL CG1 . 18095 1 699 . 1 1 53 53 VAL CG2 C 13 26.171 0.300 . 1 . . . . 266 VAL CG2 . 18095 1 700 . 1 1 53 53 VAL N N 15 119.176 0.300 . 1 . . . . 266 VAL N . 18095 1 701 . 1 1 54 54 GLN H H 1 8.205 0.020 . 1 . . . . 267 GLN H . 18095 1 702 . 1 1 54 54 GLN HA H 1 3.680 0.020 . 1 . . . . 267 GLN HA . 18095 1 703 . 1 1 54 54 GLN HB2 H 1 2.001 0.020 . 2 . . . . 267 GLN HB2 . 18095 1 704 . 1 1 54 54 GLN HB3 H 1 2.001 0.020 . 2 . . . . 267 GLN HB3 . 18095 1 705 . 1 1 54 54 GLN HG2 H 1 2.356 0.020 . 2 . . . . 267 GLN HG2 . 18095 1 706 . 1 1 54 54 GLN HG3 H 1 2.356 0.020 . 2 . . . . 267 GLN HG3 . 18095 1 707 . 1 1 54 54 GLN HE21 H 1 7.585 0.020 . 2 . . . . 267 GLN HE21 . 18095 1 708 . 1 1 54 54 GLN HE22 H 1 6.875 0.020 . 2 . . . . 267 GLN HE22 . 18095 1 709 . 1 1 54 54 GLN C C 13 176.622 0.300 . 1 . . . . 267 GLN C . 18095 1 710 . 1 1 54 54 GLN CA C 13 59.044 0.300 . 1 . . . . 267 GLN CA . 18095 1 711 . 1 1 54 54 GLN CB C 13 27.370 0.300 . 1 . . . . 267 GLN CB . 18095 1 712 . 1 1 54 54 GLN CG C 13 32.035 0.300 . 1 . . . . 267 GLN CG . 18095 1 713 . 1 1 54 54 GLN N N 15 118.481 0.300 . 1 . . . . 267 GLN N . 18095 1 714 . 1 1 54 54 GLN NE2 N 15 112.080 0.300 . 1 . . . . 267 GLN NE2 . 18095 1 715 . 1 1 55 55 GLU H H 1 8.096 0.020 . 1 . . . . 268 GLU H . 18095 1 716 . 1 1 55 55 GLU HA H 1 3.915 0.020 . 1 . . . . 268 GLU HA . 18095 1 717 . 1 1 55 55 GLU HB2 H 1 2.233 0.020 . 2 . . . . 268 GLU HB2 . 18095 1 718 . 1 1 55 55 GLU HB3 H 1 2.041 0.020 . 2 . . . . 268 GLU HB3 . 18095 1 719 . 1 1 55 55 GLU HG2 H 1 2.540 0.020 . 2 . . . . 268 GLU HG2 . 18095 1 720 . 1 1 55 55 GLU HG3 H 1 2.207 0.020 . 2 . . . . 268 GLU HG3 . 18095 1 721 . 1 1 55 55 GLU C C 13 178.687 0.300 . 1 . . . . 268 GLU C . 18095 1 722 . 1 1 55 55 GLU CA C 13 59.541 0.300 . 1 . . . . 268 GLU CA . 18095 1 723 . 1 1 55 55 GLU CB C 13 29.541 0.300 . 1 . . . . 268 GLU CB . 18095 1 724 . 1 1 55 55 GLU CG C 13 36.717 0.300 . 1 . . . . 268 GLU CG . 18095 1 725 . 1 1 55 55 GLU N N 15 122.392 0.300 . 1 . . . . 268 GLU N . 18095 1 726 . 1 1 56 56 GLU H H 1 7.553 0.020 . 1 . . . . 269 GLU H . 18095 1 727 . 1 1 56 56 GLU HA H 1 4.172 0.020 . 1 . . . . 269 GLU HA . 18095 1 728 . 1 1 56 56 GLU HB2 H 1 1.867 0.020 . 2 . . . . 269 GLU HB2 . 18095 1 729 . 1 1 56 56 GLU HB3 H 1 1.676 0.020 . 2 . . . . 269 GLU HB3 . 18095 1 730 . 1 1 56 56 GLU HG2 H 1 2.377 0.020 . 2 . . . . 269 GLU HG2 . 18095 1 731 . 1 1 56 56 GLU HG3 H 1 2.377 0.020 . 2 . . . . 269 GLU HG3 . 18095 1 732 . 1 1 56 56 GLU C C 13 175.617 0.300 . 1 . . . . 269 GLU C . 18095 1 733 . 1 1 56 56 GLU CA C 13 55.508 0.300 . 1 . . . . 269 GLU CA . 18095 1 734 . 1 1 56 56 GLU CB C 13 28.751 0.300 . 1 . . . . 269 GLU CB . 18095 1 735 . 1 1 56 56 GLU CG C 13 34.962 0.300 . 1 . . . . 269 GLU CG . 18095 1 736 . 1 1 56 56 GLU N N 15 116.107 0.300 . 1 . . . . 269 GLU N . 18095 1 737 . 1 1 57 57 GLY H H 1 7.465 0.020 . 1 . . . . 270 GLY H . 18095 1 738 . 1 1 57 57 GLY HA2 H 1 3.586 0.020 . 1 . . . . 270 GLY HA2 . 18095 1 739 . 1 1 57 57 GLY HA3 H 1 4.382 0.020 . 1 . . . . 270 GLY HA3 . 18095 1 740 . 1 1 57 57 GLY C C 13 175.091 0.300 . 1 . . . . 270 GLY C . 18095 1 741 . 1 1 57 57 GLY CA C 13 44.657 0.300 . 1 . . . . 270 GLY CA . 18095 1 742 . 1 1 57 57 GLY N N 15 104.662 0.300 . 1 . . . . 270 GLY N . 18095 1 743 . 1 1 58 58 GLY H H 1 8.552 0.020 . 1 . . . . 271 GLY H . 18095 1 744 . 1 1 58 58 GLY HA2 H 1 4.630 0.020 . 2 . . . . 271 GLY HA2 . 18095 1 745 . 1 1 58 58 GLY HA3 H 1 3.398 0.020 . 2 . . . . 271 GLY HA3 . 18095 1 746 . 1 1 58 58 GLY C C 13 174.224 0.300 . 1 . . . . 271 GLY C . 18095 1 747 . 1 1 58 58 GLY CA C 13 43.366 0.300 . 1 . . . . 271 GLY CA . 18095 1 748 . 1 1 58 58 GLY N N 15 109.997 0.300 . 1 . . . . 271 GLY N . 18095 1 749 . 1 1 59 59 MET H H 1 9.315 0.020 . 1 . . . . 272 MET H . 18095 1 750 . 1 1 59 59 MET HA H 1 3.193 0.020 . 1 . . . . 272 MET HA . 18095 1 751 . 1 1 59 59 MET HB2 H 1 2.056 0.020 . 2 . . . . 272 MET HB2 . 18095 1 752 . 1 1 59 59 MET HB3 H 1 2.056 0.020 . 2 . . . . 272 MET HB3 . 18095 1 753 . 1 1 59 59 MET HE1 H 1 1.660 0.020 . 1 . . . . 272 MET HE1 . 18095 1 754 . 1 1 59 59 MET HE2 H 1 1.660 0.020 . 1 . . . . 272 MET HE2 . 18095 1 755 . 1 1 59 59 MET HE3 H 1 1.660 0.020 . 1 . . . . 272 MET HE3 . 18095 1 756 . 1 1 59 59 MET C C 13 176.972 0.300 . 1 . . . . 272 MET C . 18095 1 757 . 1 1 59 59 MET CA C 13 60.454 0.300 . 1 . . . . 272 MET CA . 18095 1 758 . 1 1 59 59 MET CB C 13 33.272 0.300 . 1 . . . . 272 MET CB . 18095 1 759 . 1 1 59 59 MET CE C 13 16.291 0.300 . 1 . . . . 272 MET CE . 18095 1 760 . 1 1 59 59 MET N N 15 122.785 0.300 . 1 . . . . 272 MET N . 18095 1 761 . 1 1 60 60 GLU H H 1 8.965 0.020 . 1 . . . . 273 GLU H . 18095 1 762 . 1 1 60 60 GLU HA H 1 3.996 0.020 . 1 . . . . 273 GLU HA . 18095 1 763 . 1 1 60 60 GLU HB2 H 1 2.043 0.020 . 2 . . . . 273 GLU HB2 . 18095 1 764 . 1 1 60 60 GLU HB3 H 1 1.960 0.020 . 2 . . . . 273 GLU HB3 . 18095 1 765 . 1 1 60 60 GLU HG2 H 1 2.308 0.020 . 2 . . . . 273 GLU HG2 . 18095 1 766 . 1 1 60 60 GLU HG3 H 1 2.308 0.020 . 2 . . . . 273 GLU HG3 . 18095 1 767 . 1 1 60 60 GLU C C 13 179.462 0.300 . 1 . . . . 273 GLU C . 18095 1 768 . 1 1 60 60 GLU CA C 13 60.317 0.300 . 1 . . . . 273 GLU CA . 18095 1 769 . 1 1 60 60 GLU CB C 13 28.529 0.300 . 1 . . . . 273 GLU CB . 18095 1 770 . 1 1 60 60 GLU CG C 13 36.854 0.300 . 1 . . . . 273 GLU CG . 18095 1 771 . 1 1 60 60 GLU N N 15 117.923 0.300 . 1 . . . . 273 GLU N . 18095 1 772 . 1 1 61 61 GLN H H 1 8.502 0.020 . 1 . . . . 274 GLN H . 18095 1 773 . 1 1 61 61 GLN HA H 1 3.715 0.020 . 1 . . . . 274 GLN HA . 18095 1 774 . 1 1 61 61 GLN HB2 H 1 1.968 0.020 . 2 . . . . 274 GLN HB2 . 18095 1 775 . 1 1 61 61 GLN HB3 H 1 1.658 0.020 . 2 . . . . 274 GLN HB3 . 18095 1 776 . 1 1 61 61 GLN HG2 H 1 2.385 0.020 . 2 . . . . 274 GLN HG2 . 18095 1 777 . 1 1 61 61 GLN HG3 H 1 2.385 0.020 . 2 . . . . 274 GLN HG3 . 18095 1 778 . 1 1 61 61 GLN HE21 H 1 7.210 0.020 . 2 . . . . 274 GLN HE21 . 18095 1 779 . 1 1 61 61 GLN HE22 H 1 6.830 0.020 . 2 . . . . 274 GLN HE22 . 18095 1 780 . 1 1 61 61 GLN C C 13 177.590 0.300 . 1 . . . . 274 GLN C . 18095 1 781 . 1 1 61 61 GLN CA C 13 58.606 0.300 . 1 . . . . 274 GLN CA . 18095 1 782 . 1 1 61 61 GLN CB C 13 28.441 0.300 . 1 . . . . 274 GLN CB . 18095 1 783 . 1 1 61 61 GLN CG C 13 33.541 0.300 . 1 . . . . 274 GLN CG . 18095 1 784 . 1 1 61 61 GLN N N 15 120.947 0.300 . 1 . . . . 274 GLN N . 18095 1 785 . 1 1 61 61 GLN NE2 N 15 114.941 0.300 . 1 . . . . 274 GLN NE2 . 18095 1 786 . 1 1 62 62 THR H H 1 7.837 0.020 . 1 . . . . 275 THR H . 18095 1 787 . 1 1 62 62 THR HA H 1 3.426 0.020 . 1 . . . . 275 THR HA . 18095 1 788 . 1 1 62 62 THR HB H 1 3.417 0.020 . 1 . . . . 275 THR HB . 18095 1 789 . 1 1 62 62 THR HG21 H 1 -0.973 0.020 . 1 . . . . 275 THR HG21 . 18095 1 790 . 1 1 62 62 THR HG22 H 1 -0.973 0.020 . 1 . . . . 275 THR HG22 . 18095 1 791 . 1 1 62 62 THR HG23 H 1 -0.973 0.020 . 1 . . . . 275 THR HG23 . 18095 1 792 . 1 1 62 62 THR C C 13 176.714 0.300 . 1 . . . . 275 THR C . 18095 1 793 . 1 1 62 62 THR CA C 13 67.372 0.300 . 1 . . . . 275 THR CA . 18095 1 794 . 1 1 62 62 THR CB C 13 66.884 0.300 . 1 . . . . 275 THR CB . 18095 1 795 . 1 1 62 62 THR CG2 C 13 18.559 0.300 . 1 . . . . 275 THR CG2 . 18095 1 796 . 1 1 62 62 THR N N 15 116.860 0.300 . 1 . . . . 275 THR N . 18095 1 797 . 1 1 63 63 THR H H 1 8.300 0.020 . 1 . . . . 276 THR H . 18095 1 798 . 1 1 63 63 THR HA H 1 4.239 0.020 . 1 . . . . 276 THR HA . 18095 1 799 . 1 1 63 63 THR HB H 1 4.403 0.020 . 1 . . . . 276 THR HB . 18095 1 800 . 1 1 63 63 THR HG21 H 1 1.328 0.020 . 1 . . . . 276 THR HG21 . 18095 1 801 . 1 1 63 63 THR HG22 H 1 1.328 0.020 . 1 . . . . 276 THR HG22 . 18095 1 802 . 1 1 63 63 THR HG23 H 1 1.328 0.020 . 1 . . . . 276 THR HG23 . 18095 1 803 . 1 1 63 63 THR C C 13 177.904 0.300 . 1 . . . . 276 THR C . 18095 1 804 . 1 1 63 63 THR CA C 13 66.534 0.300 . 1 . . . . 276 THR CA . 18095 1 805 . 1 1 63 63 THR CB C 13 68.755 0.300 . 1 . . . . 276 THR CB . 18095 1 806 . 1 1 63 63 THR CG2 C 13 22.864 0.300 . 1 . . . . 276 THR CG2 . 18095 1 807 . 1 1 63 63 THR N N 15 118.811 0.300 . 1 . . . . 276 THR N . 18095 1 808 . 1 1 64 64 LYS H H 1 8.894 0.020 . 1 . . . . 277 LYS H . 18095 1 809 . 1 1 64 64 LYS HA H 1 3.974 0.020 . 1 . . . . 277 LYS HA . 18095 1 810 . 1 1 64 64 LYS HB2 H 1 1.886 0.020 . 2 . . . . 277 LYS HB2 . 18095 1 811 . 1 1 64 64 LYS HB3 H 1 1.802 0.020 . 2 . . . . 277 LYS HB3 . 18095 1 812 . 1 1 64 64 LYS HG2 H 1 1.452 0.020 . 2 . . . . 277 LYS HG2 . 18095 1 813 . 1 1 64 64 LYS HG3 H 1 1.452 0.020 . 2 . . . . 277 LYS HG3 . 18095 1 814 . 1 1 64 64 LYS HD2 H 1 1.705 0.020 . 2 . . . . 277 LYS HD2 . 18095 1 815 . 1 1 64 64 LYS HD3 H 1 1.705 0.020 . 2 . . . . 277 LYS HD3 . 18095 1 816 . 1 1 64 64 LYS HE2 H 1 3.023 0.020 . 2 . . . . 277 LYS HE2 . 18095 1 817 . 1 1 64 64 LYS HE3 H 1 3.023 0.020 . 2 . . . . 277 LYS HE3 . 18095 1 818 . 1 1 64 64 LYS C C 13 177.894 0.300 . 1 . . . . 277 LYS C . 18095 1 819 . 1 1 64 64 LYS CA C 13 60.096 0.300 . 1 . . . . 277 LYS CA . 18095 1 820 . 1 1 64 64 LYS CB C 13 32.613 0.300 . 1 . . . . 277 LYS CB . 18095 1 821 . 1 1 64 64 LYS CG C 13 24.966 0.300 . 1 . . . . 277 LYS CG . 18095 1 822 . 1 1 64 64 LYS CD C 13 28.962 0.300 . 1 . . . . 277 LYS CD . 18095 1 823 . 1 1 64 64 LYS CE C 13 41.984 0.300 . 1 . . . . 277 LYS CE . 18095 1 824 . 1 1 64 64 LYS N N 15 125.636 0.300 . 1 . . . . 277 LYS N . 18095 1 825 . 1 1 65 65 ASP H H 1 8.205 0.020 . 1 . . . . 278 ASP H . 18095 1 826 . 1 1 65 65 ASP HA H 1 4.726 0.020 . 1 . . . . 278 ASP HA . 18095 1 827 . 1 1 65 65 ASP HB2 H 1 2.520 0.020 . 1 . . . . 278 ASP HB2 . 18095 1 828 . 1 1 65 65 ASP HB3 H 1 2.823 0.020 . 1 . . . . 278 ASP HB3 . 18095 1 829 . 1 1 65 65 ASP C C 13 174.602 0.300 . 1 . . . . 278 ASP C . 18095 1 830 . 1 1 65 65 ASP CA C 13 54.301 0.300 . 1 . . . . 278 ASP CA . 18095 1 831 . 1 1 65 65 ASP CB C 13 40.229 0.300 . 1 . . . . 278 ASP CB . 18095 1 832 . 1 1 65 65 ASP N N 15 115.675 0.300 . 1 . . . . 278 ASP N . 18095 1 833 . 1 1 66 66 ARG H H 1 7.860 0.020 . 1 . . . . 279 ARG H . 18095 1 834 . 1 1 66 66 ARG HA H 1 4.261 0.020 . 1 . . . . 279 ARG HA . 18095 1 835 . 1 1 66 66 ARG HB2 H 1 2.166 0.020 . 2 . . . . 279 ARG HB2 . 18095 1 836 . 1 1 66 66 ARG HB3 H 1 1.986 0.020 . 2 . . . . 279 ARG HB3 . 18095 1 837 . 1 1 66 66 ARG C C 13 177.479 0.300 . 1 . . . . 279 ARG C . 18095 1 838 . 1 1 66 66 ARG CA C 13 57.171 0.300 . 1 . . . . 279 ARG CA . 18095 1 839 . 1 1 66 66 ARG CB C 13 26.583 0.300 . 1 . . . . 279 ARG CB . 18095 1 840 . 1 1 66 66 ARG N N 15 117.481 0.300 . 1 . . . . 279 ARG N . 18095 1 841 . 1 1 67 67 LYS H H 1 8.639 0.020 . 1 . . . . 280 LYS H . 18095 1 842 . 1 1 67 67 LYS HA H 1 4.763 0.020 . 1 . . . . 280 LYS HA . 18095 1 843 . 1 1 67 67 LYS HB2 H 1 1.844 0.020 . 2 . . . . 280 LYS HB2 . 18095 1 844 . 1 1 67 67 LYS HB3 H 1 1.584 0.020 . 2 . . . . 280 LYS HB3 . 18095 1 845 . 1 1 67 67 LYS HG2 H 1 1.285 0.020 . 2 . . . . 280 LYS HG2 . 18095 1 846 . 1 1 67 67 LYS HG3 H 1 1.285 0.020 . 2 . . . . 280 LYS HG3 . 18095 1 847 . 1 1 67 67 LYS HD2 H 1 1.672 0.020 . 2 . . . . 280 LYS HD2 . 18095 1 848 . 1 1 67 67 LYS HD3 H 1 1.672 0.020 . 2 . . . . 280 LYS HD3 . 18095 1 849 . 1 1 67 67 LYS HE2 H 1 2.950 0.020 . 2 . . . . 280 LYS HE2 . 18095 1 850 . 1 1 67 67 LYS HE3 H 1 2.950 0.020 . 2 . . . . 280 LYS HE3 . 18095 1 851 . 1 1 67 67 LYS C C 13 177.064 0.300 . 1 . . . . 280 LYS C . 18095 1 852 . 1 1 67 67 LYS CA C 13 55.736 0.300 . 1 . . . . 280 LYS CA . 18095 1 853 . 1 1 67 67 LYS CB C 13 33.772 0.300 . 1 . . . . 280 LYS CB . 18095 1 854 . 1 1 67 67 LYS CG C 13 24.206 0.300 . 1 . . . . 280 LYS CG . 18095 1 855 . 1 1 67 67 LYS CD C 13 28.797 0.300 . 1 . . . . 280 LYS CD . 18095 1 856 . 1 1 67 67 LYS CE C 13 41.935 0.300 . 1 . . . . 280 LYS CE . 18095 1 857 . 1 1 67 67 LYS N N 15 114.580 0.300 . 1 . . . . 280 LYS N . 18095 1 858 . 1 1 68 68 TRP H H 1 8.054 0.020 . 1 . . . . 281 TRP H . 18095 1 859 . 1 1 68 68 TRP HA H 1 3.907 0.020 . 1 . . . . 281 TRP HA . 18095 1 860 . 1 1 68 68 TRP HB2 H 1 3.339 0.020 . 2 . . . . 281 TRP HB2 . 18095 1 861 . 1 1 68 68 TRP HB3 H 1 3.133 0.020 . 2 . . . . 281 TRP HB3 . 18095 1 862 . 1 1 68 68 TRP HD1 H 1 7.531 0.020 . 1 . . . . 281 TRP HD1 . 18095 1 863 . 1 1 68 68 TRP HE1 H 1 10.693 0.020 . 1 . . . . 281 TRP HE1 . 18095 1 864 . 1 1 68 68 TRP HZ2 H 1 7.082 0.020 . 1 . . . . 281 TRP HZ2 . 18095 1 865 . 1 1 68 68 TRP HZ3 H 1 6.718 0.020 . 1 . . . . 281 TRP HZ3 . 18095 1 866 . 1 1 68 68 TRP HH2 H 1 6.487 0.020 . 1 . . . . 281 TRP HH2 . 18095 1 867 . 1 1 68 68 TRP C C 13 178.355 0.300 . 1 . . . . 281 TRP C . 18095 1 868 . 1 1 68 68 TRP CA C 13 62.138 0.300 . 1 . . . . 281 TRP CA . 18095 1 869 . 1 1 68 68 TRP CB C 13 27.205 0.300 . 1 . . . . 281 TRP CB . 18095 1 870 . 1 1 68 68 TRP CD1 C 13 126.006 0.300 . 1 . . . . 281 TRP CD1 . 18095 1 871 . 1 1 68 68 TRP CZ2 C 13 113.531 0.300 . 1 . . . . 281 TRP CZ2 . 18095 1 872 . 1 1 68 68 TRP CZ3 C 13 120.809 0.300 . 1 . . . . 281 TRP CZ3 . 18095 1 873 . 1 1 68 68 TRP CH2 C 13 123.606 0.300 . 1 . . . . 281 TRP CH2 . 18095 1 874 . 1 1 68 68 TRP N N 15 121.950 0.300 . 1 . . . . 281 TRP N . 18095 1 875 . 1 1 68 68 TRP NE1 N 15 130.602 0.300 . 1 . . . . 281 TRP NE1 . 18095 1 876 . 1 1 69 69 ALA H H 1 8.646 0.020 . 1 . . . . 282 ALA H . 18095 1 877 . 1 1 69 69 ALA HA H 1 4.254 0.020 . 1 . . . . 282 ALA HA . 18095 1 878 . 1 1 69 69 ALA HB1 H 1 1.429 0.020 . 1 . . . . 282 ALA HB1 . 18095 1 879 . 1 1 69 69 ALA HB2 H 1 1.429 0.020 . 1 . . . . 282 ALA HB2 . 18095 1 880 . 1 1 69 69 ALA HB3 H 1 1.429 0.020 . 1 . . . . 282 ALA HB3 . 18095 1 881 . 1 1 69 69 ALA C C 13 179.711 0.300 . 1 . . . . 282 ALA C . 18095 1 882 . 1 1 69 69 ALA CA C 13 55.165 0.300 . 1 . . . . 282 ALA CA . 18095 1 883 . 1 1 69 69 ALA CB C 13 17.947 0.300 . 1 . . . . 282 ALA CB . 18095 1 884 . 1 1 69 69 ALA N N 15 121.291 0.300 . 1 . . . . 282 ALA N . 18095 1 885 . 1 1 70 70 LYS H H 1 7.377 0.020 . 1 . . . . 283 LYS H . 18095 1 886 . 1 1 70 70 LYS HA H 1 4.069 0.020 . 1 . . . . 283 LYS HA . 18095 1 887 . 1 1 70 70 LYS HB2 H 1 1.990 0.020 . 2 . . . . 283 LYS HB2 . 18095 1 888 . 1 1 70 70 LYS HB3 H 1 1.938 0.020 . 2 . . . . 283 LYS HB3 . 18095 1 889 . 1 1 70 70 LYS HG2 H 1 1.192 0.020 . 2 . . . . 283 LYS HG2 . 18095 1 890 . 1 1 70 70 LYS HG3 H 1 1.043 0.020 . 2 . . . . 283 LYS HG3 . 18095 1 891 . 1 1 70 70 LYS HD2 H 1 1.712 0.020 . 2 . . . . 283 LYS HD2 . 18095 1 892 . 1 1 70 70 LYS HD3 H 1 1.712 0.020 . 2 . . . . 283 LYS HD3 . 18095 1 893 . 1 1 70 70 LYS HE2 H 1 2.996 0.020 . 2 . . . . 283 LYS HE2 . 18095 1 894 . 1 1 70 70 LYS HE3 H 1 2.996 0.020 . 2 . . . . 283 LYS HE3 . 18095 1 895 . 1 1 70 70 LYS C C 13 179.130 0.300 . 1 . . . . 283 LYS C . 18095 1 896 . 1 1 70 70 LYS CA C 13 59.157 0.300 . 1 . . . . 283 LYS CA . 18095 1 897 . 1 1 70 70 LYS CB C 13 32.282 0.300 . 1 . . . . 283 LYS CB . 18095 1 898 . 1 1 70 70 LYS CG C 13 25.143 0.300 . 1 . . . . 283 LYS CG . 18095 1 899 . 1 1 70 70 LYS CD C 13 29.812 0.300 . 1 . . . . 283 LYS CD . 18095 1 900 . 1 1 70 70 LYS CE C 13 42.039 0.300 . 1 . . . . 283 LYS CE . 18095 1 901 . 1 1 70 70 LYS N N 15 121.568 0.300 . 1 . . . . 283 LYS N . 18095 1 902 . 1 1 71 71 VAL H H 1 7.910 0.020 . 1 . . . . 284 VAL H . 18095 1 903 . 1 1 71 71 VAL HA H 1 3.243 0.020 . 1 . . . . 284 VAL HA . 18095 1 904 . 1 1 71 71 VAL HB H 1 2.432 0.020 . 1 . . . . 284 VAL HB . 18095 1 905 . 1 1 71 71 VAL HG11 H 1 0.907 0.020 . 1 . . . . 284 VAL HG11 . 18095 1 906 . 1 1 71 71 VAL HG12 H 1 0.907 0.020 . 1 . . . . 284 VAL HG12 . 18095 1 907 . 1 1 71 71 VAL HG13 H 1 0.907 0.020 . 1 . . . . 284 VAL HG13 . 18095 1 908 . 1 1 71 71 VAL HG21 H 1 0.525 0.020 . 1 . . . . 284 VAL HG21 . 18095 1 909 . 1 1 71 71 VAL HG22 H 1 0.525 0.020 . 1 . . . . 284 VAL HG22 . 18095 1 910 . 1 1 71 71 VAL HG23 H 1 0.525 0.020 . 1 . . . . 284 VAL HG23 . 18095 1 911 . 1 1 71 71 VAL C C 13 177.360 0.300 . 1 . . . . 284 VAL C . 18095 1 912 . 1 1 71 71 VAL CA C 13 67.104 0.300 . 1 . . . . 284 VAL CA . 18095 1 913 . 1 1 71 71 VAL CB C 13 31.233 0.300 . 1 . . . . 284 VAL CB . 18095 1 914 . 1 1 71 71 VAL CG1 C 13 21.019 0.300 . 1 . . . . 284 VAL CG1 . 18095 1 915 . 1 1 71 71 VAL CG2 C 13 22.371 0.300 . 1 . . . . 284 VAL CG2 . 18095 1 916 . 1 1 71 71 VAL N N 15 120.437 0.300 . 1 . . . . 284 VAL N . 18095 1 917 . 1 1 72 72 ALA H H 1 8.114 0.020 . 1 . . . . 285 ALA H . 18095 1 918 . 1 1 72 72 ALA HA H 1 4.025 0.020 . 1 . . . . 285 ALA HA . 18095 1 919 . 1 1 72 72 ALA HB1 H 1 1.532 0.020 . 1 . . . . 285 ALA HB1 . 18095 1 920 . 1 1 72 72 ALA HB2 H 1 1.532 0.020 . 1 . . . . 285 ALA HB2 . 18095 1 921 . 1 1 72 72 ALA HB3 H 1 1.532 0.020 . 1 . . . . 285 ALA HB3 . 18095 1 922 . 1 1 72 72 ALA C C 13 179.268 0.300 . 1 . . . . 285 ALA C . 18095 1 923 . 1 1 72 72 ALA CA C 13 55.736 0.300 . 1 . . . . 285 ALA CA . 18095 1 924 . 1 1 72 72 ALA CB C 13 18.458 0.300 . 1 . . . . 285 ALA CB . 18095 1 925 . 1 1 72 72 ALA N N 15 119.442 0.300 . 1 . . . . 285 ALA N . 18095 1 926 . 1 1 73 73 ASN H H 1 8.245 0.020 . 1 . . . . 286 ASN H . 18095 1 927 . 1 1 73 73 ASN HA H 1 4.578 0.020 . 1 . . . . 286 ASN HA . 18095 1 928 . 1 1 73 73 ASN HB2 H 1 2.941 0.020 . 2 . . . . 286 ASN HB2 . 18095 1 929 . 1 1 73 73 ASN HB3 H 1 2.941 0.020 . 2 . . . . 286 ASN HB3 . 18095 1 930 . 1 1 73 73 ASN HD21 H 1 7.755 0.020 . 2 . . . . 286 ASN HD21 . 18095 1 931 . 1 1 73 73 ASN HD22 H 1 6.993 0.020 . 2 . . . . 286 ASN HD22 . 18095 1 932 . 1 1 73 73 ASN C C 13 180.117 0.300 . 1 . . . . 286 ASN C . 18095 1 933 . 1 1 73 73 ASN CA C 13 56.729 0.300 . 1 . . . . 286 ASN CA . 18095 1 934 . 1 1 73 73 ASN CB C 13 39.401 0.300 . 1 . . . . 286 ASN CB . 18095 1 935 . 1 1 73 73 ASN N N 15 117.215 0.300 . 1 . . . . 286 ASN N . 18095 1 936 . 1 1 73 73 ASN ND2 N 15 112.913 0.300 . 1 . . . . 286 ASN ND2 . 18095 1 937 . 1 1 74 74 ARG H H 1 8.750 0.020 . 1 . . . . 287 ARG H . 18095 1 938 . 1 1 74 74 ARG HA H 1 4.066 0.020 . 1 . . . . 287 ARG HA . 18095 1 939 . 1 1 74 74 ARG HB2 H 1 1.933 0.020 . 2 . . . . 287 ARG HB2 . 18095 1 940 . 1 1 74 74 ARG HB3 H 1 1.933 0.020 . 2 . . . . 287 ARG HB3 . 18095 1 941 . 1 1 74 74 ARG C C 13 178.070 0.300 . 1 . . . . 287 ARG C . 18095 1 942 . 1 1 74 74 ARG CA C 13 59.916 0.300 . 1 . . . . 287 ARG CA . 18095 1 943 . 1 1 74 74 ARG CB C 13 30.180 0.300 . 1 . . . . 287 ARG CB . 18095 1 944 . 1 1 74 74 ARG CG C 13 27.144 0.300 . 1 . . . . 287 ARG CG . 18095 1 945 . 1 1 74 74 ARG N N 15 121.814 0.300 . 1 . . . . 287 ARG N . 18095 1 946 . 1 1 75 75 MET H H 1 7.774 0.020 . 1 . . . . 288 MET H . 18095 1 947 . 1 1 75 75 MET HA H 1 4.176 0.020 . 1 . . . . 288 MET HA . 18095 1 948 . 1 1 75 75 MET HB2 H 1 2.410 0.020 . 2 . . . . 288 MET HB2 . 18095 1 949 . 1 1 75 75 MET HB3 H 1 2.104 0.020 . 2 . . . . 288 MET HB3 . 18095 1 950 . 1 1 75 75 MET HE1 H 1 1.908 0.020 . 1 . . . . 288 MET HE1 . 18095 1 951 . 1 1 75 75 MET HE2 H 1 1.908 0.020 . 1 . . . . 288 MET HE2 . 18095 1 952 . 1 1 75 75 MET HE3 H 1 1.908 0.020 . 1 . . . . 288 MET HE3 . 18095 1 953 . 1 1 75 75 MET C C 13 173.855 0.300 . 1 . . . . 288 MET C . 18095 1 954 . 1 1 75 75 MET CA C 13 56.453 0.300 . 1 . . . . 288 MET CA . 18095 1 955 . 1 1 75 75 MET CB C 13 33.441 0.300 . 1 . . . . 288 MET CB . 18095 1 956 . 1 1 75 75 MET CE C 13 17.128 0.300 . 1 . . . . 288 MET CE . 18095 1 957 . 1 1 75 75 MET N N 15 117.248 0.300 . 1 . . . . 288 MET N . 18095 1 958 . 1 1 76 76 GLN H H 1 7.901 0.020 . 1 . . . . 289 GLN H . 18095 1 959 . 1 1 76 76 GLN HA H 1 3.892 0.020 . 1 . . . . 289 GLN HA . 18095 1 960 . 1 1 76 76 GLN HB2 H 1 2.233 0.020 . 2 . . . . 289 GLN HB2 . 18095 1 961 . 1 1 76 76 GLN HB3 H 1 2.233 0.020 . 2 . . . . 289 GLN HB3 . 18095 1 962 . 1 1 76 76 GLN HG2 H 1 2.177 0.020 . 2 . . . . 289 GLN HG2 . 18095 1 963 . 1 1 76 76 GLN HG3 H 1 2.177 0.020 . 2 . . . . 289 GLN HG3 . 18095 1 964 . 1 1 76 76 GLN HE21 H 1 7.432 0.020 . 2 . . . . 289 GLN HE21 . 18095 1 965 . 1 1 76 76 GLN HE22 H 1 6.789 0.020 . 2 . . . . 289 GLN HE22 . 18095 1 966 . 1 1 76 76 GLN C C 13 175.617 0.300 . 1 . . . . 289 GLN C . 18095 1 967 . 1 1 76 76 GLN CA C 13 57.138 0.300 . 1 . . . . 289 GLN CA . 18095 1 968 . 1 1 76 76 GLN CB C 13 25.218 0.300 . 1 . . . . 289 GLN CB . 18095 1 969 . 1 1 76 76 GLN CG C 13 34.422 0.300 . 1 . . . . 289 GLN CG . 18095 1 970 . 1 1 76 76 GLN N N 15 110.683 0.300 . 1 . . . . 289 GLN N . 18095 1 971 . 1 1 76 76 GLN NE2 N 15 112.439 0.300 . 1 . . . . 289 GLN NE2 . 18095 1 972 . 1 1 77 77 TYR H H 1 7.913 0.020 . 1 . . . . 290 TYR H . 18095 1 973 . 1 1 77 77 TYR HA H 1 4.894 0.020 . 1 . . . . 290 TYR HA . 18095 1 974 . 1 1 77 77 TYR HB2 H 1 2.580 0.020 . 1 . . . . 290 TYR HB2 . 18095 1 975 . 1 1 77 77 TYR HB3 H 1 3.007 0.020 . 1 . . . . 290 TYR HB3 . 18095 1 976 . 1 1 77 77 TYR HD1 H 1 7.211 0.020 . 1 . . . . 290 TYR HD1 . 18095 1 977 . 1 1 77 77 TYR HD2 H 1 7.211 0.020 . 1 . . . . 290 TYR HD2 . 18095 1 978 . 1 1 77 77 TYR HE1 H 1 6.823 0.020 . 1 . . . . 290 TYR HE1 . 18095 1 979 . 1 1 77 77 TYR HE2 H 1 6.823 0.020 . 1 . . . . 290 TYR HE2 . 18095 1 980 . 1 1 77 77 TYR CA C 13 56.910 0.300 . 1 . . . . 290 TYR CA . 18095 1 981 . 1 1 77 77 TYR CB C 13 37.918 0.300 . 1 . . . . 290 TYR CB . 18095 1 982 . 1 1 77 77 TYR CD1 C 13 132.662 0.300 . 1 . . . . 290 TYR CD1 . 18095 1 983 . 1 1 77 77 TYR CE1 C 13 118.566 0.300 . 1 . . . . 290 TYR CE1 . 18095 1 984 . 1 1 77 77 TYR N N 15 118.584 0.300 . 1 . . . . 290 TYR N . 18095 1 985 . 1 1 78 78 PRO HA H 1 4.510 0.020 . 1 . . . . 291 PRO HA . 18095 1 986 . 1 1 78 78 PRO HB2 H 1 2.403 0.020 . 2 . . . . 291 PRO HB2 . 18095 1 987 . 1 1 78 78 PRO HB3 H 1 1.936 0.020 . 2 . . . . 291 PRO HB3 . 18095 1 988 . 1 1 78 78 PRO HG2 H 1 2.134 0.020 . 2 . . . . 291 PRO HG2 . 18095 1 989 . 1 1 78 78 PRO HG3 H 1 2.134 0.020 . 2 . . . . 291 PRO HG3 . 18095 1 990 . 1 1 78 78 PRO HD2 H 1 3.721 0.020 . 1 . . . . 291 PRO HD2 . 18095 1 991 . 1 1 78 78 PRO HD3 H 1 4.134 0.020 . 1 . . . . 291 PRO HD3 . 18095 1 992 . 1 1 78 78 PRO C C 13 177.157 0.300 . 1 . . . . 291 PRO C . 18095 1 993 . 1 1 78 78 PRO CA C 13 63.043 0.300 . 1 . . . . 291 PRO CA . 18095 1 994 . 1 1 78 78 PRO CB C 13 32.131 0.300 . 1 . . . . 291 PRO CB . 18095 1 995 . 1 1 78 78 PRO CG C 13 27.652 0.300 . 1 . . . . 291 PRO CG . 18095 1 996 . 1 1 78 78 PRO CD C 13 50.758 0.300 . 1 . . . . 291 PRO CD . 18095 1 997 . 1 1 79 79 SER H H 1 8.594 0.020 . 1 . . . . 292 SER H . 18095 1 998 . 1 1 79 79 SER HA H 1 4.740 0.020 . 1 . . . . 292 SER HA . 18095 1 999 . 1 1 79 79 SER HB2 H 1 3.984 0.020 . 2 . . . . 292 SER HB2 . 18095 1 1000 . 1 1 79 79 SER HB3 H 1 3.920 0.020 . 2 . . . . 292 SER HB3 . 18095 1 1001 . 1 1 79 79 SER CA C 13 58.109 0.300 . 1 . . . . 292 SER CA . 18095 1 1002 . 1 1 79 79 SER CB C 13 62.617 0.300 . 1 . . . . 292 SER CB . 18095 1 1003 . 1 1 79 79 SER N N 15 117.068 0.300 . 1 . . . . 292 SER N . 18095 1 1004 . 1 1 81 81 LYS HA H 1 4.224 0.020 . 1 . . . . 294 LYS HA . 18095 1 1005 . 1 1 81 81 LYS HB2 H 1 1.842 0.020 . 2 . . . . 294 LYS HB2 . 18095 1 1006 . 1 1 81 81 LYS HB3 H 1 1.842 0.020 . 2 . . . . 294 LYS HB3 . 18095 1 1007 . 1 1 81 81 LYS HG2 H 1 1.513 0.020 . 2 . . . . 294 LYS HG2 . 18095 1 1008 . 1 1 81 81 LYS HG3 H 1 1.513 0.020 . 2 . . . . 294 LYS HG3 . 18095 1 1009 . 1 1 81 81 LYS HD2 H 1 1.708 0.020 . 2 . . . . 294 LYS HD2 . 18095 1 1010 . 1 1 81 81 LYS HD3 H 1 1.708 0.020 . 2 . . . . 294 LYS HD3 . 18095 1 1011 . 1 1 81 81 LYS HE2 H 1 3.010 0.020 . 2 . . . . 294 LYS HE2 . 18095 1 1012 . 1 1 81 81 LYS HE3 H 1 3.010 0.020 . 2 . . . . 294 LYS HE3 . 18095 1 1013 . 1 1 81 81 LYS C C 13 178.107 0.300 . 1 . . . . 294 LYS C . 18095 1 1014 . 1 1 81 81 LYS CA C 13 58.109 0.300 . 1 . . . . 294 LYS CA . 18095 1 1015 . 1 1 81 81 LYS CB C 13 32.392 0.300 . 1 . . . . 294 LYS CB . 18095 1 1016 . 1 1 81 81 LYS CG C 13 24.865 0.300 . 1 . . . . 294 LYS CG . 18095 1 1017 . 1 1 81 81 LYS CD C 13 29.197 0.300 . 1 . . . . 294 LYS CD . 18095 1 1018 . 1 1 81 81 LYS CE C 13 42.001 0.300 . 1 . . . . 294 LYS CE . 18095 1 1019 . 1 1 82 82 SER H H 1 8.223 0.020 . 1 . . . . 295 SER H . 18095 1 1020 . 1 1 82 82 SER HA H 1 3.892 0.020 . 1 . . . . 295 SER HA . 18095 1 1021 . 1 1 82 82 SER HB2 H 1 3.892 0.020 . 2 . . . . 295 SER HB2 . 18095 1 1022 . 1 1 82 82 SER HB3 H 1 3.892 0.020 . 2 . . . . 295 SER HB3 . 18095 1 1023 . 1 1 82 82 SER C C 13 180.569 0.300 . 1 . . . . 295 SER C . 18095 1 1024 . 1 1 82 82 SER CA C 13 59.599 0.300 . 1 . . . . 295 SER CA . 18095 1 1025 . 1 1 82 82 SER CB C 13 62.579 0.300 . 1 . . . . 295 SER CB . 18095 1 1026 . 1 1 82 82 SER N N 15 113.901 0.300 . 1 . . . . 295 SER N . 18095 1 1027 . 1 1 83 83 VAL H H 1 8.093 0.020 . 1 . . . . 296 VAL H . 18095 1 1028 . 1 1 83 83 VAL HA H 1 3.760 0.020 . 1 . . . . 296 VAL HA . 18095 1 1029 . 1 1 83 83 VAL HB H 1 1.857 0.020 . 1 . . . . 296 VAL HB . 18095 1 1030 . 1 1 83 83 VAL HG11 H 1 0.562 0.020 . 1 . . . . 296 VAL HG11 . 18095 1 1031 . 1 1 83 83 VAL HG12 H 1 0.562 0.020 . 1 . . . . 296 VAL HG12 . 18095 1 1032 . 1 1 83 83 VAL HG13 H 1 0.562 0.020 . 1 . . . . 296 VAL HG13 . 18095 1 1033 . 1 1 83 83 VAL HG21 H 1 0.789 0.020 . 1 . . . . 296 VAL HG21 . 18095 1 1034 . 1 1 83 83 VAL HG22 H 1 0.789 0.020 . 1 . . . . 296 VAL HG22 . 18095 1 1035 . 1 1 83 83 VAL HG23 H 1 0.789 0.020 . 1 . . . . 296 VAL HG23 . 18095 1 1036 . 1 1 83 83 VAL C C 13 177.830 0.300 . 1 . . . . 296 VAL C . 18095 1 1037 . 1 1 83 83 VAL CA C 13 65.247 0.300 . 1 . . . . 296 VAL CA . 18095 1 1038 . 1 1 83 83 VAL CB C 13 31.564 0.300 . 1 . . . . 296 VAL CB . 18095 1 1039 . 1 1 83 83 VAL CG1 C 13 21.278 0.300 . 1 . . . . 296 VAL CG1 . 18095 1 1040 . 1 1 83 83 VAL CG2 C 13 22.825 0.300 . 1 . . . . 296 VAL CG2 . 18095 1 1041 . 1 1 83 83 VAL N N 15 122.443 0.300 . 1 . . . . 296 VAL N . 18095 1 1042 . 1 1 84 84 GLY H H 1 8.725 0.020 . 1 . . . . 297 GLY H . 18095 1 1043 . 1 1 84 84 GLY HA2 H 1 3.590 0.020 . 1 . . . . 297 GLY HA2 . 18095 1 1044 . 1 1 84 84 GLY HA3 H 1 3.714 0.020 . 1 . . . . 297 GLY HA3 . 18095 1 1045 . 1 1 84 84 GLY C C 13 174.353 0.300 . 1 . . . . 297 GLY C . 18095 1 1046 . 1 1 84 84 GLY CA C 13 48.286 0.300 . 1 . . . . 297 GLY CA . 18095 1 1047 . 1 1 84 84 GLY N N 15 109.331 0.300 . 1 . . . . 297 GLY N . 18095 1 1048 . 1 1 85 85 ALA H H 1 7.739 0.020 . 1 . . . . 298 ALA H . 18095 1 1049 . 1 1 85 85 ALA HA H 1 3.856 0.020 . 1 . . . . 298 ALA HA . 18095 1 1050 . 1 1 85 85 ALA HB1 H 1 1.378 0.020 . 1 . . . . 298 ALA HB1 . 18095 1 1051 . 1 1 85 85 ALA HB2 H 1 1.378 0.020 . 1 . . . . 298 ALA HB2 . 18095 1 1052 . 1 1 85 85 ALA HB3 H 1 1.378 0.020 . 1 . . . . 298 ALA HB3 . 18095 1 1053 . 1 1 85 85 ALA C C 13 180.633 0.300 . 1 . . . . 298 ALA C . 18095 1 1054 . 1 1 85 85 ALA CA C 13 54.687 0.300 . 1 . . . . 298 ALA CA . 18095 1 1055 . 1 1 85 85 ALA CB C 13 18.016 0.300 . 1 . . . . 298 ALA CB . 18095 1 1056 . 1 1 85 85 ALA N N 15 121.568 0.300 . 1 . . . . 298 ALA N . 18095 1 1057 . 1 1 86 86 THR H H 1 7.697 0.020 . 1 . . . . 299 THR H . 18095 1 1058 . 1 1 86 86 THR HA H 1 3.750 0.020 . 1 . . . . 299 THR HA . 18095 1 1059 . 1 1 86 86 THR HB H 1 4.328 0.020 . 1 . . . . 299 THR HB . 18095 1 1060 . 1 1 86 86 THR HG21 H 1 1.188 0.020 . 1 . . . . 299 THR HG21 . 18095 1 1061 . 1 1 86 86 THR HG22 H 1 1.188 0.020 . 1 . . . . 299 THR HG22 . 18095 1 1062 . 1 1 86 86 THR HG23 H 1 1.188 0.020 . 1 . . . . 299 THR HG23 . 18095 1 1063 . 1 1 86 86 THR C C 13 175.285 0.300 . 1 . . . . 299 THR C . 18095 1 1064 . 1 1 86 86 THR CA C 13 66.001 0.300 . 1 . . . . 299 THR CA . 18095 1 1065 . 1 1 86 86 THR CB C 13 68.374 0.300 . 1 . . . . 299 THR CB . 18095 1 1066 . 1 1 86 86 THR CG2 C 13 22.813 0.300 . 1 . . . . 299 THR CG2 . 18095 1 1067 . 1 1 86 86 THR N N 15 118.554 0.300 . 1 . . . . 299 THR N . 18095 1 1068 . 1 1 87 87 LEU H H 1 8.235 0.020 . 1 . . . . 300 LEU H . 18095 1 1069 . 1 1 87 87 LEU HA H 1 3.900 0.020 . 1 . . . . 300 LEU HA . 18095 1 1070 . 1 1 87 87 LEU HB2 H 1 2.264 0.020 . 2 . . . . 300 LEU HB2 . 18095 1 1071 . 1 1 87 87 LEU HB3 H 1 1.533 0.020 . 2 . . . . 300 LEU HB3 . 18095 1 1072 . 1 1 87 87 LEU HG H 1 1.967 0.020 . 1 . . . . 300 LEU HG . 18095 1 1073 . 1 1 87 87 LEU HD11 H 1 1.058 0.020 . 1 . . . . 300 LEU HD11 . 18095 1 1074 . 1 1 87 87 LEU HD12 H 1 1.058 0.020 . 1 . . . . 300 LEU HD12 . 18095 1 1075 . 1 1 87 87 LEU HD13 H 1 1.058 0.020 . 1 . . . . 300 LEU HD13 . 18095 1 1076 . 1 1 87 87 LEU HD21 H 1 0.916 0.020 . 1 . . . . 300 LEU HD21 . 18095 1 1077 . 1 1 87 87 LEU HD22 H 1 0.916 0.020 . 1 . . . . 300 LEU HD22 . 18095 1 1078 . 1 1 87 87 LEU HD23 H 1 0.916 0.020 . 1 . . . . 300 LEU HD23 . 18095 1 1079 . 1 1 87 87 LEU C C 13 177.396 0.300 . 1 . . . . 300 LEU C . 18095 1 1080 . 1 1 87 87 LEU CA C 13 58.385 0.300 . 1 . . . . 300 LEU CA . 18095 1 1081 . 1 1 87 87 LEU CB C 13 41.183 0.300 . 1 . . . . 300 LEU CB . 18095 1 1082 . 1 1 87 87 LEU CG C 13 26.438 0.300 . 1 . . . . 300 LEU CG . 18095 1 1083 . 1 1 87 87 LEU CD1 C 13 26.322 0.300 . 1 . . . . 300 LEU CD1 . 18095 1 1084 . 1 1 87 87 LEU CD2 C 13 23.202 0.300 . 1 . . . . 300 LEU CD2 . 18095 1 1085 . 1 1 87 87 LEU N N 15 120.264 0.300 . 1 . . . . 300 LEU N . 18095 1 1086 . 1 1 88 88 LYS H H 1 7.562 0.020 . 1 . . . . 301 LYS H . 18095 1 1087 . 1 1 88 88 LYS HA H 1 1.850 0.020 . 1 . . . . 301 LYS HA . 18095 1 1088 . 1 1 88 88 LYS HB2 H 1 -0.252 0.020 . 1 . . . . 301 LYS HB2 . 18095 1 1089 . 1 1 88 88 LYS HB3 H 1 1.024 0.020 . 1 . . . . 301 LYS HB3 . 18095 1 1090 . 1 1 88 88 LYS HG2 H 1 0.689 0.020 . 1 . . . . 301 LYS HG2 . 18095 1 1091 . 1 1 88 88 LYS HG3 H 1 0.320 0.020 . 1 . . . . 301 LYS HG3 . 18095 1 1092 . 1 1 88 88 LYS HD2 H 1 1.216 0.020 . 2 . . . . 301 LYS HD2 . 18095 1 1093 . 1 1 88 88 LYS HD3 H 1 1.216 0.020 . 2 . . . . 301 LYS HD3 . 18095 1 1094 . 1 1 88 88 LYS HE2 H 1 3.024 0.020 . 2 . . . . 301 LYS HE2 . 18095 1 1095 . 1 1 88 88 LYS HE3 H 1 2.946 0.020 . 2 . . . . 301 LYS HE3 . 18095 1 1096 . 1 1 88 88 LYS C C 13 177.295 0.300 . 1 . . . . 301 LYS C . 18095 1 1097 . 1 1 88 88 LYS CA C 13 58.495 0.300 . 1 . . . . 301 LYS CA . 18095 1 1098 . 1 1 88 88 LYS CB C 13 32.464 0.300 . 1 . . . . 301 LYS CB . 18095 1 1099 . 1 1 88 88 LYS CG C 13 24.198 0.300 . 1 . . . . 301 LYS CG . 18095 1 1100 . 1 1 88 88 LYS CD C 13 30.650 0.300 . 1 . . . . 301 LYS CD . 18095 1 1101 . 1 1 88 88 LYS CE C 13 42.262 0.300 . 1 . . . . 301 LYS CE . 18095 1 1102 . 1 1 88 88 LYS N N 15 120.637 0.300 . 1 . . . . 301 LYS N . 18095 1 1103 . 1 1 89 89 ALA H H 1 7.042 0.020 . 1 . . . . 302 ALA H . 18095 1 1104 . 1 1 89 89 ALA HA H 1 4.040 0.020 . 1 . . . . 302 ALA HA . 18095 1 1105 . 1 1 89 89 ALA HB1 H 1 1.227 0.020 . 1 . . . . 302 ALA HB1 . 18095 1 1106 . 1 1 89 89 ALA HB2 H 1 1.227 0.020 . 1 . . . . 302 ALA HB2 . 18095 1 1107 . 1 1 89 89 ALA HB3 H 1 1.227 0.020 . 1 . . . . 302 ALA HB3 . 18095 1 1108 . 1 1 89 89 ALA C C 13 181.233 0.300 . 1 . . . . 302 ALA C . 18095 1 1109 . 1 1 89 89 ALA CA C 13 54.687 0.300 . 1 . . . . 302 ALA CA . 18095 1 1110 . 1 1 89 89 ALA CB C 13 17.685 0.300 . 1 . . . . 302 ALA CB . 18095 1 1111 . 1 1 89 89 ALA N N 15 118.934 0.300 . 1 . . . . 302 ALA N . 18095 1 1112 . 1 1 90 90 HIS H H 1 7.970 0.020 . 1 . . . . 303 HIS H . 18095 1 1113 . 1 1 90 90 HIS HA H 1 4.748 0.020 . 1 . . . . 303 HIS HA . 18095 1 1114 . 1 1 90 90 HIS HB2 H 1 2.908 0.020 . 2 . . . . 303 HIS HB2 . 18095 1 1115 . 1 1 90 90 HIS HB3 H 1 2.664 0.020 . 2 . . . . 303 HIS HB3 . 18095 1 1116 . 1 1 90 90 HIS C C 13 178.448 0.300 . 1 . . . . 303 HIS C . 18095 1 1117 . 1 1 90 90 HIS CA C 13 58.716 0.300 . 1 . . . . 303 HIS CA . 18095 1 1118 . 1 1 90 90 HIS CB C 13 31.078 0.300 . 1 . . . . 303 HIS CB . 18095 1 1119 . 1 1 90 90 HIS N N 15 115.831 0.300 . 1 . . . . 303 HIS N . 18095 1 1120 . 1 1 91 91 TYR H H 1 9.226 0.020 . 1 . . . . 304 TYR H . 18095 1 1121 . 1 1 91 91 TYR HA H 1 3.789 0.020 . 1 . . . . 304 TYR HA . 18095 1 1122 . 1 1 91 91 TYR HB2 H 1 3.450 0.020 . 1 . . . . 304 TYR HB2 . 18095 1 1123 . 1 1 91 91 TYR HB3 H 1 3.214 0.020 . 1 . . . . 304 TYR HB3 . 18095 1 1124 . 1 1 91 91 TYR HD1 H 1 7.139 0.020 . 1 . . . . 304 TYR HD1 . 18095 1 1125 . 1 1 91 91 TYR HD2 H 1 7.139 0.020 . 1 . . . . 304 TYR HD2 . 18095 1 1126 . 1 1 91 91 TYR HE1 H 1 7.350 0.020 . 1 . . . . 304 TYR HE1 . 18095 1 1127 . 1 1 91 91 TYR HE2 H 1 7.350 0.020 . 1 . . . . 304 TYR HE2 . 18095 1 1128 . 1 1 91 91 TYR C C 13 179.914 0.300 . 1 . . . . 304 TYR C . 18095 1 1129 . 1 1 91 91 TYR CA C 13 63.020 0.300 . 1 . . . . 304 TYR CA . 18095 1 1130 . 1 1 91 91 TYR CB C 13 39.897 0.300 . 1 . . . . 304 TYR CB . 18095 1 1131 . 1 1 91 91 TYR CD1 C 13 133.489 0.300 . 1 . . . . 304 TYR CD1 . 18095 1 1132 . 1 1 91 91 TYR CE1 C 13 120.041 0.300 . 1 . . . . 304 TYR CE1 . 18095 1 1133 . 1 1 91 91 TYR N N 15 122.513 0.300 . 1 . . . . 304 TYR N . 18095 1 1134 . 1 1 92 92 GLU H H 1 8.955 0.020 . 1 . . . . 305 GLU H . 18095 1 1135 . 1 1 92 92 GLU HA H 1 4.055 0.020 . 1 . . . . 305 GLU HA . 18095 1 1136 . 1 1 92 92 GLU HB2 H 1 2.039 0.020 . 1 . . . . 305 GLU HB2 . 18095 1 1137 . 1 1 92 92 GLU HB3 H 1 2.315 0.020 . 1 . . . . 305 GLU HB3 . 18095 1 1138 . 1 1 92 92 GLU HG2 H 1 2.590 0.020 . 1 . . . . 305 GLU HG2 . 18095 1 1139 . 1 1 92 92 GLU HG3 H 1 2.464 0.020 . 1 . . . . 305 GLU HG3 . 18095 1 1140 . 1 1 92 92 GLU C C 13 177.977 0.300 . 1 . . . . 305 GLU C . 18095 1 1141 . 1 1 92 92 GLU CA C 13 59.875 0.300 . 1 . . . . 305 GLU CA . 18095 1 1142 . 1 1 92 92 GLU CB C 13 30.225 0.300 . 1 . . . . 305 GLU CB . 18095 1 1143 . 1 1 92 92 GLU CG C 13 37.204 0.300 . 1 . . . . 305 GLU CG . 18095 1 1144 . 1 1 92 92 GLU N N 15 119.209 0.300 . 1 . . . . 305 GLU N . 18095 1 1145 . 1 1 93 93 ARG H H 1 7.963 0.020 . 1 . . . . 306 ARG H . 18095 1 1146 . 1 1 93 93 ARG HA H 1 4.353 0.020 . 1 . . . . 306 ARG HA . 18095 1 1147 . 1 1 93 93 ARG HB2 H 1 1.974 0.020 . 2 . . . . 306 ARG HB2 . 18095 1 1148 . 1 1 93 93 ARG HB3 H 1 1.974 0.020 . 2 . . . . 306 ARG HB3 . 18095 1 1149 . 1 1 93 93 ARG HG2 H 1 2.132 0.020 . 1 . . . . 306 ARG HG2 . 18095 1 1150 . 1 1 93 93 ARG HG3 H 1 1.801 0.020 . 1 . . . . 306 ARG HG3 . 18095 1 1151 . 1 1 93 93 ARG HD2 H 1 3.214 0.020 . 2 . . . . 306 ARG HD2 . 18095 1 1152 . 1 1 93 93 ARG HD3 H 1 3.214 0.020 . 2 . . . . 306 ARG HD3 . 18095 1 1153 . 1 1 93 93 ARG C C 13 177.618 0.300 . 1 . . . . 306 ARG C . 18095 1 1154 . 1 1 93 93 ARG CA C 13 58.661 0.300 . 1 . . . . 306 ARG CA . 18095 1 1155 . 1 1 93 93 ARG CB C 13 31.951 0.300 . 1 . . . . 306 ARG CB . 18095 1 1156 . 1 1 93 93 ARG CG C 13 28.039 0.300 . 1 . . . . 306 ARG CG . 18095 1 1157 . 1 1 93 93 ARG CD C 13 43.340 0.300 . 1 . . . . 306 ARG CD . 18095 1 1158 . 1 1 93 93 ARG N N 15 115.344 0.300 . 1 . . . . 306 ARG N . 18095 1 1159 . 1 1 94 94 ILE H H 1 8.483 0.020 . 1 . . . . 307 ILE H . 18095 1 1160 . 1 1 94 94 ILE HA H 1 4.272 0.020 . 1 . . . . 307 ILE HA . 18095 1 1161 . 1 1 94 94 ILE HB H 1 1.753 0.020 . 1 . . . . 307 ILE HB . 18095 1 1162 . 1 1 94 94 ILE HG12 H 1 1.807 0.020 . 1 . . . . 307 ILE HG12 . 18095 1 1163 . 1 1 94 94 ILE HG13 H 1 0.826 0.020 . 1 . . . . 307 ILE HG13 . 18095 1 1164 . 1 1 94 94 ILE HG21 H 1 0.830 0.020 . 1 . . . . 307 ILE HG21 . 18095 1 1165 . 1 1 94 94 ILE HG22 H 1 0.830 0.020 . 1 . . . . 307 ILE HG22 . 18095 1 1166 . 1 1 94 94 ILE HG23 H 1 0.830 0.020 . 1 . . . . 307 ILE HG23 . 18095 1 1167 . 1 1 94 94 ILE HD11 H 1 0.779 0.020 . 1 . . . . 307 ILE HD11 . 18095 1 1168 . 1 1 94 94 ILE HD12 H 1 0.779 0.020 . 1 . . . . 307 ILE HD12 . 18095 1 1169 . 1 1 94 94 ILE HD13 H 1 0.779 0.020 . 1 . . . . 307 ILE HD13 . 18095 1 1170 . 1 1 94 94 ILE C C 13 176.843 0.300 . 1 . . . . 307 ILE C . 18095 1 1171 . 1 1 94 94 ILE CA C 13 64.037 0.300 . 1 . . . . 307 ILE CA . 18095 1 1172 . 1 1 94 94 ILE CB C 13 40.427 0.300 . 1 . . . . 307 ILE CB . 18095 1 1173 . 1 1 94 94 ILE CG1 C 13 27.959 0.300 . 1 . . . . 307 ILE CG1 . 18095 1 1174 . 1 1 94 94 ILE CG2 C 13 18.424 0.300 . 1 . . . . 307 ILE CG2 . 18095 1 1175 . 1 1 94 94 ILE CD1 C 13 14.461 0.300 . 1 . . . . 307 ILE CD1 . 18095 1 1176 . 1 1 94 94 ILE N N 15 113.560 0.300 . 1 . . . . 307 ILE N . 18095 1 1177 . 1 1 95 95 LEU H H 1 7.531 0.020 . 1 . . . . 308 LEU H . 18095 1 1178 . 1 1 95 95 LEU HA H 1 4.615 0.020 . 1 . . . . 308 LEU HA . 18095 1 1179 . 1 1 95 95 LEU HB2 H 1 1.222 0.020 . 1 . . . . 308 LEU HB2 . 18095 1 1180 . 1 1 95 95 LEU HB3 H 1 1.110 0.020 . 1 . . . . 308 LEU HB3 . 18095 1 1181 . 1 1 95 95 LEU HG H 1 1.807 0.020 . 1 . . . . 308 LEU HG . 18095 1 1182 . 1 1 95 95 LEU C C 13 178.595 0.300 . 1 . . . . 308 LEU C . 18095 1 1183 . 1 1 95 95 LEU CA C 13 56.453 0.300 . 1 . . . . 308 LEU CA . 18095 1 1184 . 1 1 95 95 LEU CB C 13 43.376 0.300 . 1 . . . . 308 LEU CB . 18095 1 1185 . 1 1 95 95 LEU CG C 13 27.199 0.300 . 1 . . . . 308 LEU CG . 18095 1 1186 . 1 1 95 95 LEU N N 15 116.991 0.300 . 1 . . . . 308 LEU N . 18095 1 1187 . 1 1 96 96 HIS H H 1 8.995 0.020 . 1 . . . . 309 HIS H . 18095 1 1188 . 1 1 96 96 HIS HA H 1 4.895 0.020 . 1 . . . . 309 HIS HA . 18095 1 1189 . 1 1 96 96 HIS HB2 H 1 3.402 0.020 . 2 . . . . 309 HIS HB2 . 18095 1 1190 . 1 1 96 96 HIS HB3 H 1 2.929 0.020 . 2 . . . . 309 HIS HB3 . 18095 1 1191 . 1 1 96 96 HIS CA C 13 61.036 0.300 . 1 . . . . 309 HIS CA . 18095 1 1192 . 1 1 96 96 HIS CB C 13 28.143 0.300 . 1 . . . . 309 HIS CB . 18095 1 1193 . 1 1 96 96 HIS N N 15 120.003 0.300 . 1 . . . . 309 HIS N . 18095 1 1194 . 1 1 97 97 PRO HA H 1 4.025 0.020 . 1 . . . . 310 PRO HA . 18095 1 1195 . 1 1 97 97 PRO HB2 H 1 2.189 0.020 . 2 . . . . 310 PRO HB2 . 18095 1 1196 . 1 1 97 97 PRO HB3 H 1 1.931 0.020 . 2 . . . . 310 PRO HB3 . 18095 1 1197 . 1 1 97 97 PRO HG2 H 1 2.132 0.020 . 2 . . . . 310 PRO HG2 . 18095 1 1198 . 1 1 97 97 PRO HG3 H 1 2.132 0.020 . 2 . . . . 310 PRO HG3 . 18095 1 1199 . 1 1 97 97 PRO HD2 H 1 3.365 0.020 . 1 . . . . 310 PRO HD2 . 18095 1 1200 . 1 1 97 97 PRO HD3 H 1 4.136 0.020 . 1 . . . . 310 PRO HD3 . 18095 1 1201 . 1 1 97 97 PRO C C 13 179.398 0.300 . 1 . . . . 310 PRO C . 18095 1 1202 . 1 1 97 97 PRO CA C 13 59.146 0.300 . 1 . . . . 310 PRO CA . 18095 1 1203 . 1 1 97 97 PRO CB C 13 31.957 0.300 . 1 . . . . 310 PRO CB . 18095 1 1204 . 1 1 97 97 PRO CG C 13 27.699 0.300 . 1 . . . . 310 PRO CG . 18095 1 1205 . 1 1 97 97 PRO CD C 13 50.765 0.300 . 1 . . . . 310 PRO CD . 18095 1 1206 . 1 1 98 98 PHE H H 1 7.967 0.020 . 1 . . . . 311 PHE H . 18095 1 1207 . 1 1 98 98 PHE HA H 1 2.744 0.020 . 1 . . . . 311 PHE HA . 18095 1 1208 . 1 1 98 98 PHE HB2 H 1 3.044 0.020 . 2 . . . . 311 PHE HB2 . 18095 1 1209 . 1 1 98 98 PHE HB3 H 1 2.432 0.020 . 2 . . . . 311 PHE HB3 . 18095 1 1210 . 1 1 98 98 PHE HD1 H 1 6.603 0.020 . 1 . . . . 311 PHE HD1 . 18095 1 1211 . 1 1 98 98 PHE HD2 H 1 6.603 0.020 . 1 . . . . 311 PHE HD2 . 18095 1 1212 . 1 1 98 98 PHE HE1 H 1 6.999 0.020 . 1 . . . . 311 PHE HE1 . 18095 1 1213 . 1 1 98 98 PHE HE2 H 1 6.999 0.020 . 1 . . . . 311 PHE HE2 . 18095 1 1214 . 1 1 98 98 PHE C C 13 176.659 0.300 . 1 . . . . 311 PHE C . 18095 1 1215 . 1 1 98 98 PHE CA C 13 59.448 0.300 . 1 . . . . 311 PHE CA . 18095 1 1216 . 1 1 98 98 PHE CB C 13 38.849 0.300 . 1 . . . . 311 PHE CB . 18095 1 1217 . 1 1 98 98 PHE CD1 C 13 131.023 0.300 . 1 . . . . 311 PHE CD1 . 18095 1 1218 . 1 1 98 98 PHE CE1 C 13 131.269 0.300 . 1 . . . . 311 PHE CE1 . 18095 1 1219 . 1 1 98 98 PHE N N 15 119.891 0.300 . 1 . . . . 311 PHE N . 18095 1 1220 . 1 1 99 99 GLU H H 1 8.248 0.020 . 1 . . . . 312 GLU H . 18095 1 1221 . 1 1 99 99 GLU HA H 1 3.739 0.020 . 1 . . . . 312 GLU HA . 18095 1 1222 . 1 1 99 99 GLU HB2 H 1 2.425 0.020 . 2 . . . . 312 GLU HB2 . 18095 1 1223 . 1 1 99 99 GLU HB3 H 1 2.159 0.020 . 2 . . . . 312 GLU HB3 . 18095 1 1224 . 1 1 99 99 GLU HG2 H 1 2.707 0.020 . 2 . . . . 312 GLU HG2 . 18095 1 1225 . 1 1 99 99 GLU HG3 H 1 2.662 0.020 . 2 . . . . 312 GLU HG3 . 18095 1 1226 . 1 1 99 99 GLU C C 13 179.130 0.300 . 1 . . . . 312 GLU C . 18095 1 1227 . 1 1 99 99 GLU CA C 13 58.882 0.300 . 1 . . . . 312 GLU CA . 18095 1 1228 . 1 1 99 99 GLU CB C 13 28.936 0.300 . 1 . . . . 312 GLU CB . 18095 1 1229 . 1 1 99 99 GLU CG C 13 35.814 0.300 . 1 . . . . 312 GLU CG . 18095 1 1230 . 1 1 99 99 GLU N N 15 122.354 0.300 . 1 . . . . 312 GLU N . 18095 1 1231 . 1 1 100 100 VAL H H 1 7.916 0.020 . 1 . . . . 313 VAL H . 18095 1 1232 . 1 1 100 100 VAL HA H 1 3.575 0.020 . 1 . . . . 313 VAL HA . 18095 1 1233 . 1 1 100 100 VAL HB H 1 1.835 0.020 . 1 . . . . 313 VAL HB . 18095 1 1234 . 1 1 100 100 VAL HG11 H 1 0.813 0.020 . 1 . . . . 313 VAL HG11 . 18095 1 1235 . 1 1 100 100 VAL HG12 H 1 0.813 0.020 . 1 . . . . 313 VAL HG12 . 18095 1 1236 . 1 1 100 100 VAL HG13 H 1 0.813 0.020 . 1 . . . . 313 VAL HG13 . 18095 1 1237 . 1 1 100 100 VAL HG21 H 1 0.628 0.020 . 1 . . . . 313 VAL HG21 . 18095 1 1238 . 1 1 100 100 VAL HG22 H 1 0.628 0.020 . 1 . . . . 313 VAL HG22 . 18095 1 1239 . 1 1 100 100 VAL HG23 H 1 0.628 0.020 . 1 . . . . 313 VAL HG23 . 18095 1 1240 . 1 1 100 100 VAL C C 13 178.549 0.300 . 1 . . . . 313 VAL C . 18095 1 1241 . 1 1 100 100 VAL CA C 13 65.614 0.300 . 1 . . . . 313 VAL CA . 18095 1 1242 . 1 1 100 100 VAL CB C 13 31.895 0.300 . 1 . . . . 313 VAL CB . 18095 1 1243 . 1 1 100 100 VAL CG1 C 13 20.991 0.300 . 1 . . . . 313 VAL CG1 . 18095 1 1244 . 1 1 100 100 VAL CG2 C 13 21.898 0.300 . 1 . . . . 313 VAL CG2 . 18095 1 1245 . 1 1 100 100 VAL N N 15 119.330 0.300 . 1 . . . . 313 VAL N . 18095 1 1246 . 1 1 101 101 TYR H H 1 7.397 0.020 . 1 . . . . 314 TYR H . 18095 1 1247 . 1 1 101 101 TYR HA H 1 4.179 0.020 . 1 . . . . 314 TYR HA . 18095 1 1248 . 1 1 101 101 TYR HB2 H 1 3.059 0.020 . 2 . . . . 314 TYR HB2 . 18095 1 1249 . 1 1 101 101 TYR HB3 H 1 2.617 0.020 . 2 . . . . 314 TYR HB3 . 18095 1 1250 . 1 1 101 101 TYR HD1 H 1 6.991 0.020 . 1 . . . . 314 TYR HD1 . 18095 1 1251 . 1 1 101 101 TYR HD2 H 1 6.991 0.020 . 1 . . . . 314 TYR HD2 . 18095 1 1252 . 1 1 101 101 TYR HE1 H 1 6.838 0.020 . 1 . . . . 314 TYR HE1 . 18095 1 1253 . 1 1 101 101 TYR HE2 H 1 6.838 0.020 . 1 . . . . 314 TYR HE2 . 18095 1 1254 . 1 1 101 101 TYR C C 13 177.664 0.300 . 1 . . . . 314 TYR C . 18095 1 1255 . 1 1 101 101 TYR CA C 13 60.744 0.300 . 1 . . . . 314 TYR CA . 18095 1 1256 . 1 1 101 101 TYR CB C 13 39.361 0.300 . 1 . . . . 314 TYR CB . 18095 1 1257 . 1 1 101 101 TYR CD1 C 13 133.663 0.300 . 1 . . . . 314 TYR CD1 . 18095 1 1258 . 1 1 101 101 TYR CE1 C 13 118.180 0.300 . 1 . . . . 314 TYR CE1 . 18095 1 1259 . 1 1 101 101 TYR N N 15 120.958 0.300 . 1 . . . . 314 TYR N . 18095 1 1260 . 1 1 102 102 THR H H 1 7.851 0.020 . 1 . . . . 315 THR H . 18095 1 1261 . 1 1 102 102 THR HA H 1 3.715 0.020 . 1 . . . . 315 THR HA . 18095 1 1262 . 1 1 102 102 THR HB H 1 3.951 0.020 . 1 . . . . 315 THR HB . 18095 1 1263 . 1 1 102 102 THR HG21 H 1 0.802 0.020 . 1 . . . . 315 THR HG21 . 18095 1 1264 . 1 1 102 102 THR HG22 H 1 0.802 0.020 . 1 . . . . 315 THR HG22 . 18095 1 1265 . 1 1 102 102 THR HG23 H 1 0.802 0.020 . 1 . . . . 315 THR HG23 . 18095 1 1266 . 1 1 102 102 THR C C 13 175.653 0.300 . 1 . . . . 315 THR C . 18095 1 1267 . 1 1 102 102 THR CA C 13 63.885 0.300 . 1 . . . . 315 THR CA . 18095 1 1268 . 1 1 102 102 THR CB C 13 69.201 0.300 . 1 . . . . 315 THR CB . 18095 1 1269 . 1 1 102 102 THR CG2 C 13 21.899 0.300 . 1 . . . . 315 THR CG2 . 18095 1 1270 . 1 1 102 102 THR N N 15 110.904 0.300 . 1 . . . . 315 THR N . 18095 1 1271 . 1 1 103 103 SER H H 1 7.668 0.020 . 1 . . . . 316 SER H . 18095 1 1272 . 1 1 103 103 SER HA H 1 4.261 0.020 . 1 . . . . 316 SER HA . 18095 1 1273 . 1 1 103 103 SER HB2 H 1 3.944 0.020 . 2 . . . . 316 SER HB2 . 18095 1 1274 . 1 1 103 103 SER HB3 H 1 3.944 0.020 . 2 . . . . 316 SER HB3 . 18095 1 1275 . 1 1 103 103 SER C C 13 175.220 0.300 . 1 . . . . 316 SER C . 18095 1 1276 . 1 1 103 103 SER CA C 13 59.971 0.300 . 1 . . . . 316 SER CA . 18095 1 1277 . 1 1 103 103 SER CB C 13 63.498 0.300 . 1 . . . . 316 SER CB . 18095 1 1278 . 1 1 103 103 SER N N 15 116.462 0.300 . 1 . . . . 316 SER N . 18095 1 1279 . 1 1 104 104 GLY H H 1 7.915 0.020 . 1 . . . . 317 GLY H . 18095 1 1280 . 1 1 104 104 GLY HA2 H 1 3.907 0.020 . 2 . . . . 317 GLY HA2 . 18095 1 1281 . 1 1 104 104 GLY HA3 H 1 3.907 0.020 . 2 . . . . 317 GLY HA3 . 18095 1 1282 . 1 1 104 104 GLY C C 13 173.994 0.300 . 1 . . . . 317 GLY C . 18095 1 1283 . 1 1 104 104 GLY CA C 13 45.471 0.300 . 1 . . . . 317 GLY CA . 18095 1 1284 . 1 1 104 104 GLY N N 15 109.331 0.300 . 1 . . . . 317 GLY N . 18095 1 1285 . 1 1 105 105 LYS H H 1 7.667 0.020 . 1 . . . . 318 LYS H . 18095 1 1286 . 1 1 105 105 LYS HA H 1 4.313 0.020 . 1 . . . . 318 LYS HA . 18095 1 1287 . 1 1 105 105 LYS HB2 H 1 1.742 0.020 . 2 . . . . 318 LYS HB2 . 18095 1 1288 . 1 1 105 105 LYS HB3 H 1 1.628 0.020 . 2 . . . . 318 LYS HB3 . 18095 1 1289 . 1 1 105 105 LYS HG2 H 1 1.291 0.020 . 2 . . . . 318 LYS HG2 . 18095 1 1290 . 1 1 105 105 LYS HG3 H 1 1.291 0.020 . 2 . . . . 318 LYS HG3 . 18095 1 1291 . 1 1 105 105 LYS HD2 H 1 1.568 0.020 . 2 . . . . 318 LYS HD2 . 18095 1 1292 . 1 1 105 105 LYS HD3 H 1 1.568 0.020 . 2 . . . . 318 LYS HD3 . 18095 1 1293 . 1 1 105 105 LYS HE2 H 1 2.888 0.020 . 2 . . . . 318 LYS HE2 . 18095 1 1294 . 1 1 105 105 LYS HE3 H 1 2.888 0.020 . 2 . . . . 318 LYS HE3 . 18095 1 1295 . 1 1 105 105 LYS C C 13 175.875 0.300 . 1 . . . . 318 LYS C . 18095 1 1296 . 1 1 105 105 LYS CA C 13 56.053 0.300 . 1 . . . . 318 LYS CA . 18095 1 1297 . 1 1 105 105 LYS CB C 13 33.275 0.300 . 1 . . . . 318 LYS CB . 18095 1 1298 . 1 1 105 105 LYS CG C 13 24.582 0.300 . 1 . . . . 318 LYS CG . 18095 1 1299 . 1 1 105 105 LYS CD C 13 28.867 0.300 . 1 . . . . 318 LYS CD . 18095 1 1300 . 1 1 105 105 LYS CE C 13 41.984 0.300 . 1 . . . . 318 LYS CE . 18095 1 1301 . 1 1 105 105 LYS N N 15 120.383 0.300 . 1 . . . . 318 LYS N . 18095 1 1302 . 1 1 106 106 VAL H H 1 8.065 0.020 . 1 . . . . 319 VAL H . 18095 1 1303 . 1 1 106 106 VAL HA H 1 4.077 0.020 . 1 . . . . 319 VAL HA . 18095 1 1304 . 1 1 106 106 VAL HB H 1 2.063 0.020 . 1 . . . . 319 VAL HB . 18095 1 1305 . 1 1 106 106 VAL HG11 H 1 0.916 0.020 . 2 . . . . 319 VAL HG11 . 18095 1 1306 . 1 1 106 106 VAL HG12 H 1 0.916 0.020 . 2 . . . . 319 VAL HG12 . 18095 1 1307 . 1 1 106 106 VAL HG13 H 1 0.916 0.020 . 2 . . . . 319 VAL HG13 . 18095 1 1308 . 1 1 106 106 VAL HG21 H 1 0.916 0.020 . 2 . . . . 319 VAL HG21 . 18095 1 1309 . 1 1 106 106 VAL HG22 H 1 0.916 0.020 . 2 . . . . 319 VAL HG22 . 18095 1 1310 . 1 1 106 106 VAL HG23 H 1 0.916 0.020 . 2 . . . . 319 VAL HG23 . 18095 1 1311 . 1 1 106 106 VAL C C 13 175.174 0.300 . 1 . . . . 319 VAL C . 18095 1 1312 . 1 1 106 106 VAL CA C 13 62.560 0.300 . 1 . . . . 319 VAL CA . 18095 1 1313 . 1 1 106 106 VAL CB C 13 32.889 0.300 . 1 . . . . 319 VAL CB . 18095 1 1314 . 1 1 106 106 VAL CG1 C 13 20.808 0.300 . 1 . . . . 319 VAL CG1 . 18095 1 1315 . 1 1 106 106 VAL N N 15 121.568 0.300 . 1 . . . . 319 VAL N . 18095 1 1316 . 1 1 107 107 LEU H H 1 7.965 0.020 . 1 . . . . 320 LEU H . 18095 1 1317 . 1 1 107 107 LEU HA H 1 4.207 0.020 . 1 . . . . 320 LEU HA . 18095 1 1318 . 1 1 107 107 LEU HB2 H 1 1.600 0.020 . 2 . . . . 320 LEU HB2 . 18095 1 1319 . 1 1 107 107 LEU HB3 H 1 1.600 0.020 . 2 . . . . 320 LEU HB3 . 18095 1 1320 . 1 1 107 107 LEU HG H 1 2.173 0.020 . 1 . . . . 320 LEU HG . 18095 1 1321 . 1 1 107 107 LEU CA C 13 56.729 0.300 . 1 . . . . 320 LEU CA . 18095 1 1322 . 1 1 107 107 LEU CB C 13 43.662 0.300 . 1 . . . . 320 LEU CB . 18095 1 1323 . 1 1 107 107 LEU CG C 13 27.310 0.300 . 1 . . . . 320 LEU CG . 18095 1 1324 . 1 1 107 107 LEU N N 15 131.888 0.300 . 1 . . . . 320 LEU N . 18095 1 stop_ save_