data_5317 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5317 _Entry.Title ; Solution structure of the DNA binding domain of human TRF1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-03-12 _Entry.Accession_date 2002-03-12 _Entry.Last_release_date 2002-04-08 _Entry.Original_release_date 2002-04-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 T. Nishikawa . . . 5317 2 H. Okamura . . . 5317 3 A. Nagadoi . . . 5317 4 P. Konig . . . 5317 5 D. Rhodes . . . 5317 6 Y. Nishimura . . . 5317 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5317 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 461 5317 '13C chemical shifts' 196 5317 '15N chemical shifts' 78 5317 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 . . 2002-04-08 2002-03-12 original author . 5317 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5317 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11738049 _Citation.Full_citation . _Citation.Title 'Solution structure of a telomeric DNA complex of human TRF1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 9 _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 1237 _Citation.Page_last 1251 _Citation.Year 2001 _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 T. Nishikawa . . . 5317 1 2 H. Okamura . . . 5317 1 3 A. Nagadoi . . . 5317 1 4 P. Konig . . . 5317 1 5 D. Rhodes . . . 5317 1 6 Y. Nishimura . . . 5317 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID helix-turn-helix 5317 1 telomeres 5317 1 'DNA binding' 5317 1 'Myb domain' 5317 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TRF _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TRF _Assembly.Entry_ID 5317 _Assembly.ID 1 _Assembly.Name 'Telomeric repeat binding factor 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5317 1 stop_ 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 TRF1 1 $TRF1 . . . native . . . . . 5317 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1ITY . TRF1 . . . . 5317 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Telomeric repeat binding factor 1' system 5317 1 TRF1 abbreviation 5317 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TRF1 _Entity.Sf_category entity _Entity.Sf_framecode TRF1 _Entity.Entry_ID 5317 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TRF1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; TPEKHRARKRQAWLWEEDKN LRSGVRKYGEGNWSKILLHY KFNNRTSVMLKDRWRTMKKL KLISSDSED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 BMRB 4210 . hTRF1 . . . . . 76.81 53 100.00 100.00 7.07e-29 . . . . 5317 1 2 no BMRB 5361 . "Telomeric repeat binding factor 1" . . . . . 100.00 70 100.00 100.00 2.64e-41 . . . . 5317 1 3 no PDB 1BA5 . "Dna-Binding Domain Of Human Telomeric Protein, Htrf1, Nmr, 18 Structures" . . . . . 76.81 53 100.00 100.00 7.07e-29 . . . . 5317 1 4 no PDB 1ITY . "Solution Structure Of The Dna Binding Domain Of Human Trf1" . . . . . 100.00 69 100.00 100.00 2.84e-41 . . . . 5317 1 5 no PDB 1IV6 . "Solution Structure Of The Dna Complex Of Human Trf1" . . . . . 100.00 70 100.00 100.00 2.64e-41 . . . . 5317 1 6 no PDB 1W0T . "Htrf1 Dna-Binding Domain In Complex With Telomeric Dna" . . . . . 76.81 53 100.00 100.00 8.41e-29 . . . . 5317 1 7 no DBJ BAE88046 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 282 97.10 98.55 6.06e-40 . . . . 5317 1 8 no DBJ BAF85218 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 439 100.00 100.00 2.24e-40 . . . . 5317 1 9 no EMBL CAA63768 . "telomeric DNA binding protein [Homo sapiens]" . . . . . 100.00 111 100.00 100.00 3.89e-42 . . . . 5317 1 10 no EMBL CAH92488 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 436 98.55 98.55 9.30e-40 . . . . 5317 1 11 no GB AAB53363 . "telomeric repeat DNA-binding protein [Homo sapiens]" . . . . . 100.00 419 100.00 100.00 2.30e-40 . . . . 5317 1 12 no GB AAB54036 . "telomeric repeat binding factor [Homo sapiens]" . . . . . 100.00 439 100.00 100.00 2.24e-40 . . . . 5317 1 13 no GB AAB81137 . "TTAGGG repeat binding factor 1 [Homo sapiens]" . . . . . 100.00 419 100.00 100.00 2.30e-40 . . . . 5317 1 14 no GB AAC02531 . "telomeric repeat binding factor 1 [Cricetulus griseus]" . . . . . 98.55 438 100.00 100.00 1.84e-39 . . . . 5317 1 15 no GB AAH29378 . "Telomeric repeat binding factor (NIMA-interacting) 1 [Homo sapiens]" . . . . . 100.00 419 100.00 100.00 2.25e-40 . . . . 5317 1 16 no REF NP_001126467 . "telomeric repeat-binding factor 1 [Pongo abelii]" . . . . . 100.00 436 98.55 98.55 9.30e-40 . . . . 5317 1 17 no REF NP_003209 . "telomeric repeat-binding factor 1 isoform 2 [Homo sapiens]" . . . . . 100.00 419 100.00 100.00 2.25e-40 . . . . 5317 1 18 no REF NP_059523 . "telomeric repeat-binding factor 1 isoform 1 [Homo sapiens]" . . . . . 100.00 439 100.00 100.00 2.31e-40 . . . . 5317 1 19 no REF XP_001083645 . "PREDICTED: telomeric repeat-binding factor 1 isoform 1 [Macaca mulatta]" . . . . . 100.00 438 97.10 98.55 2.42e-39 . . . . 5317 1 20 no REF XP_001164723 . "PREDICTED: telomeric repeat-binding factor 1 isoform X1 [Pan troglodytes]" . . . . . 100.00 439 98.55 98.55 7.09e-40 . . . . 5317 1 21 no SP O55036 . "RecName: Full=Telomeric repeat-binding factor 1; AltName: Full=TTAGGG repeat-binding factor 1, partial [Cricetulus griseus]" . . . . . 98.55 438 100.00 100.00 1.84e-39 . . . . 5317 1 22 no SP P54274 . "RecName: Full=Telomeric repeat-binding factor 1; AltName: Full=NIMA-interacting protein 2; AltName: Full=TTAGGG repeat-binding " . . . . . 100.00 439 100.00 100.00 2.31e-40 . . . . 5317 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID TRF1 common 5317 1 TRF1 abbreviation 5317 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 1 371 THR . 5317 1 2 372 PRO . 5317 1 3 373 GLU . 5317 1 4 374 LYS . 5317 1 5 375 HIS . 5317 1 6 376 ARG . 5317 1 7 377 ALA . 5317 1 8 378 ARG . 5317 1 9 379 LYS . 5317 1 10 380 ARG . 5317 1 11 381 GLN . 5317 1 12 382 ALA . 5317 1 13 383 TRP . 5317 1 14 384 LEU . 5317 1 15 385 TRP . 5317 1 16 386 GLU . 5317 1 17 387 GLU . 5317 1 18 388 ASP . 5317 1 19 389 LYS . 5317 1 20 390 ASN . 5317 1 21 391 LEU . 5317 1 22 392 ARG . 5317 1 23 393 SER . 5317 1 24 394 GLY . 5317 1 25 395 VAL . 5317 1 26 396 ARG . 5317 1 27 397 LYS . 5317 1 28 398 TYR . 5317 1 29 399 GLY . 5317 1 30 400 GLU . 5317 1 31 401 GLY . 5317 1 32 402 ASN . 5317 1 33 403 TRP . 5317 1 34 404 SER . 5317 1 35 405 LYS . 5317 1 36 406 ILE . 5317 1 37 407 LEU . 5317 1 38 408 LEU . 5317 1 39 409 HIS . 5317 1 40 410 TYR . 5317 1 41 411 LYS . 5317 1 42 412 PHE . 5317 1 43 413 ASN . 5317 1 44 414 ASN . 5317 1 45 415 ARG . 5317 1 46 416 THR . 5317 1 47 417 SER . 5317 1 48 418 VAL . 5317 1 49 419 MET . 5317 1 50 420 LEU . 5317 1 51 421 LYS . 5317 1 52 422 ASP . 5317 1 53 423 ARG . 5317 1 54 424 TRP . 5317 1 55 425 ARG . 5317 1 56 426 THR . 5317 1 57 427 MET . 5317 1 58 428 LYS . 5317 1 59 429 LYS . 5317 1 60 430 LEU . 5317 1 61 431 LYS . 5317 1 62 432 LEU . 5317 1 63 433 ILE . 5317 1 64 434 SER . 5317 1 65 435 SER . 5317 1 66 436 ASP . 5317 1 67 437 SER . 5317 1 68 438 GLU . 5317 1 69 439 ASP . 5317 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 . THR 1 1 5317 1 . PRO 2 2 5317 1 . GLU 3 3 5317 1 . LYS 4 4 5317 1 . HIS 5 5 5317 1 . ARG 6 6 5317 1 . ALA 7 7 5317 1 . ARG 8 8 5317 1 . LYS 9 9 5317 1 . ARG 10 10 5317 1 . GLN 11 11 5317 1 . ALA 12 12 5317 1 . TRP 13 13 5317 1 . LEU 14 14 5317 1 . TRP 15 15 5317 1 . GLU 16 16 5317 1 . GLU 17 17 5317 1 . ASP 18 18 5317 1 . LYS 19 19 5317 1 . ASN 20 20 5317 1 . LEU 21 21 5317 1 . ARG 22 22 5317 1 . SER 23 23 5317 1 . GLY 24 24 5317 1 . VAL 25 25 5317 1 . ARG 26 26 5317 1 . LYS 27 27 5317 1 . TYR 28 28 5317 1 . GLY 29 29 5317 1 . GLU 30 30 5317 1 . GLY 31 31 5317 1 . ASN 32 32 5317 1 . TRP 33 33 5317 1 . SER 34 34 5317 1 . LYS 35 35 5317 1 . ILE 36 36 5317 1 . LEU 37 37 5317 1 . LEU 38 38 5317 1 . HIS 39 39 5317 1 . TYR 40 40 5317 1 . LYS 41 41 5317 1 . PHE 42 42 5317 1 . ASN 43 43 5317 1 . ASN 44 44 5317 1 . ARG 45 45 5317 1 . THR 46 46 5317 1 . SER 47 47 5317 1 . VAL 48 48 5317 1 . MET 49 49 5317 1 . LEU 50 50 5317 1 . LYS 51 51 5317 1 . ASP 52 52 5317 1 . ARG 53 53 5317 1 . TRP 54 54 5317 1 . ARG 55 55 5317 1 . THR 56 56 5317 1 . MET 57 57 5317 1 . LYS 58 58 5317 1 . LYS 59 59 5317 1 . LEU 60 60 5317 1 . LYS 61 61 5317 1 . LEU 62 62 5317 1 . ILE 63 63 5317 1 . SER 64 64 5317 1 . SER 65 65 5317 1 . ASP 66 66 5317 1 . SER 67 67 5317 1 . GLU 68 68 5317 1 . ASP 69 69 5317 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 5317 _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 $TRF1 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5317 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 5317 _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 $TRF1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3)PLYSS . . . . . . . . . . . . . . . pET13A . . . . . . 5317 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5317 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 TRF1 '[U-15N; U-13C]' . . 1 $TRF1 . . . 1.5 2.5 mM . . . . 5317 1 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 5317 1 3 NaCl . . . . . . . 100 . . mM . . . . 5317 1 4 H2O . . . . . . . 90 . . % . . . . 5317 1 5 D2O . . . . . . . 10 . . % . . . . 5317 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5317 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 TRF1 '[U-15N; U-13C]' . . 1 $TRF1 . . . 1.5 2.5 mM . . . . 5317 2 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 5317 2 3 NaCl . . . . . . . 100 . . mM . . . . 5317 2 4 D2O . . . . . . . 100 . . % . . . . 5317 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5317 _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 6.8 . n/a 5317 1 temperature 300 . K 5317 1 pressure 1 . atm 5317 1 stop_ save_ ############################ # Computer software used # ############################ save_EMBOSS _Software.Sf_category software _Software.Sf_framecode EMBOSS _Software.Entry_ID 5317 _Software.ID 1 _Software.Name EMBOSS _Software.Version 5.0 _Software.Details 'Nakai, T., Kidera, A., and Nakamura, H.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5317 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5317 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5317 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DMX . 600 . . . 5317 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 5317 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNHA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5317 1 2 '3D HNHB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5317 1 3 '3D Sequential assignment protocol' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5317 1 4 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5317 1 5 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5317 1 6 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5317 1 7 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5317 1 8 '2D DQF-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5317 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5317 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D HNHA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5317 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D HNHB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5317 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D Sequential assignment protocol' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5317 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5317 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5317 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5317 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5317 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '2D DQF-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5317 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5317 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.1013291 . . . . . . . . . 5317 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.2514495 . . . . . . . . . 5317 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5317 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5317 1 . . 2 $sample_2 . 5317 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 3 3 GLU N N 15 121.1 . . 1 . . . . . . . . 5317 1 2 . 1 1 3 3 GLU H H 1 8.57 . . 1 . . . . . . . . 5317 1 3 . 1 1 3 3 GLU C C 13 174.6 . . 1 . . . . . . . . 5317 1 4 . 1 1 3 3 GLU CA C 13 55.2 . . 1 . . . . . . . . 5317 1 5 . 1 1 3 3 GLU HA H 1 4.13 . . 1 . . . . . . . . 5317 1 6 . 1 1 3 3 GLU CB C 13 28.2 . . 1 . . . . . . . . 5317 1 7 . 1 1 3 3 GLU HB2 H 1 1.92 . . 1 . . . . . . . . 5317 1 8 . 1 1 3 3 GLU HB3 H 1 1.92 . . 1 . . . . . . . . 5317 1 9 . 1 1 4 4 LYS N N 15 121.8 . . 1 . . . . . . . . 5317 1 10 . 1 1 4 4 LYS H H 1 8.27 . . 1 . . . . . . . . 5317 1 11 . 1 1 4 4 LYS C C 13 173.6 . . 1 . . . . . . . . 5317 1 12 . 1 1 4 4 LYS CA C 13 54.9 . . 1 . . . . . . . . 5317 1 13 . 1 1 4 4 LYS HA H 1 4.17 . . 1 . . . . . . . . 5317 1 14 . 1 1 4 4 LYS CB C 13 30.9 . . 1 . . . . . . . . 5317 1 15 . 1 1 4 4 LYS HB2 H 1 1.71 . . 1 . . . . . . . . 5317 1 16 . 1 1 4 4 LYS HB3 H 1 1.71 . . 1 . . . . . . . . 5317 1 17 . 1 1 5 5 HIS N N 15 119.8 . . 1 . . . . . . . . 5317 1 18 . 1 1 5 5 HIS H H 1 8.28 . . 1 . . . . . . . . 5317 1 19 . 1 1 5 5 HIS C C 13 173.3 . . 1 . . . . . . . . 5317 1 20 . 1 1 5 5 HIS CA C 13 54.6 . . 1 . . . . . . . . 5317 1 21 . 1 1 5 5 HIS HA H 1 4.57 . . 1 . . . . . . . . 5317 1 22 . 1 1 5 5 HIS CB C 13 28.6 . . 1 . . . . . . . . 5317 1 23 . 1 1 5 5 HIS HB2 H 1 3.09 . . 1 . . . . . . . . 5317 1 24 . 1 1 5 5 HIS HB3 H 1 3.09 . . 1 . . . . . . . . 5317 1 25 . 1 1 6 6 ARG N N 15 122.0 . . 1 . . . . . . . . 5317 1 26 . 1 1 6 6 ARG H H 1 8.24 . . 1 . . . . . . . . 5317 1 27 . 1 1 6 6 ARG C C 13 173.8 . . 1 . . . . . . . . 5317 1 28 . 1 1 6 6 ARG CA C 13 54.5 . . 1 . . . . . . . . 5317 1 29 . 1 1 6 6 ARG HA H 1 4.17 . . 1 . . . . . . . . 5317 1 30 . 1 1 6 6 ARG CB C 13 28.8 . . 1 . . . . . . . . 5317 1 31 . 1 1 6 6 ARG HB2 H 1 1.76 . . 1 . . . . . . . . 5317 1 32 . 1 1 6 6 ARG HB3 H 1 1.76 . . 1 . . . . . . . . 5317 1 33 . 1 1 7 7 ALA N N 15 124.6 . . 1 . . . . . . . . 5317 1 34 . 1 1 7 7 ALA H H 1 8.28 . . 1 . . . . . . . . 5317 1 35 . 1 1 7 7 ALA C C 13 175.6 . . 1 . . . . . . . . 5317 1 36 . 1 1 7 7 ALA CA C 13 50.7 . . 1 . . . . . . . . 5317 1 37 . 1 1 7 7 ALA HA H 1 4.24 . . 1 . . . . . . . . 5317 1 38 . 1 1 7 7 ALA CB C 13 17.2 . . 1 . . . . . . . . 5317 1 39 . 1 1 7 7 ALA HB1 H 1 1.36 . . 1 . . . . . . . . 5317 1 40 . 1 1 7 7 ALA HB2 H 1 1.36 . . 1 . . . . . . . . 5317 1 41 . 1 1 7 7 ALA HB3 H 1 1.36 . . 1 . . . . . . . . 5317 1 42 . 1 1 8 8 ARG N N 15 120.3 . . 1 . . . . . . . . 5317 1 43 . 1 1 8 8 ARG H H 1 8.24 . . 1 . . . . . . . . 5317 1 44 . 1 1 8 8 ARG C C 13 174.2 . . 1 . . . . . . . . 5317 1 45 . 1 1 8 8 ARG CA C 13 54.2 . . 1 . . . . . . . . 5317 1 46 . 1 1 8 8 ARG HA H 1 4.26 . . 1 . . . . . . . . 5317 1 47 . 1 1 8 8 ARG CB C 13 28.9 . . 1 . . . . . . . . 5317 1 48 . 1 1 8 8 ARG HB2 H 1 1.78 . . 1 . . . . . . . . 5317 1 49 . 1 1 8 8 ARG HB3 H 1 1.78 . . 1 . . . . . . . . 5317 1 50 . 1 1 9 9 LYS N N 15 122.5 . . 1 . . . . . . . . 5317 1 51 . 1 1 9 9 LYS H H 1 8.34 . . 1 . . . . . . . . 5317 1 52 . 1 1 9 9 LYS C C 13 174.3 . . 1 . . . . . . . . 5317 1 53 . 1 1 9 9 LYS CA C 13 54.6 . . 1 . . . . . . . . 5317 1 54 . 1 1 9 9 LYS HA H 1 4.25 . . 1 . . . . . . . . 5317 1 55 . 1 1 9 9 LYS CB C 13 31.1 . . 1 . . . . . . . . 5317 1 56 . 1 1 9 9 LYS HB2 H 1 1.77 . . 1 . . . . . . . . 5317 1 57 . 1 1 9 9 LYS HB3 H 1 1.77 . . 1 . . . . . . . . 5317 1 58 . 1 1 10 10 ARG N N 15 122.3 . . 1 . . . . . . . . 5317 1 59 . 1 1 10 10 ARG H H 1 8.40 . . 1 . . . . . . . . 5317 1 60 . 1 1 10 10 ARG C C 13 173.7 . . 1 . . . . . . . . 5317 1 61 . 1 1 10 10 ARG CA C 13 54.2 . . 1 . . . . . . . . 5317 1 62 . 1 1 10 10 ARG HA H 1 4.28 . . 1 . . . . . . . . 5317 1 63 . 1 1 10 10 ARG CB C 13 28.8 . . 1 . . . . . . . . 5317 1 64 . 1 1 10 10 ARG HB2 H 1 1.79 . . 1 . . . . . . . . 5317 1 65 . 1 1 10 10 ARG HB3 H 1 1.79 . . 1 . . . . . . . . 5317 1 66 . 1 1 11 11 GLN N N 15 122.0 . . 1 . . . . . . . . 5317 1 67 . 1 1 11 11 GLN H H 1 8.51 . . 1 . . . . . . . . 5317 1 68 . 1 1 11 11 GLN C C 13 173.8 . . 1 . . . . . . . . 5317 1 69 . 1 1 11 11 GLN CA C 13 53.6 . . 1 . . . . . . . . 5317 1 70 . 1 1 11 11 GLN HA H 1 4.30 . . 1 . . . . . . . . 5317 1 71 . 1 1 11 11 GLN CB C 13 27.5 . . 1 . . . . . . . . 5317 1 72 . 1 1 11 11 GLN HB2 H 1 1.98 . . 1 . . . . . . . . 5317 1 73 . 1 1 11 11 GLN HB3 H 1 1.98 . . 1 . . . . . . . . 5317 1 74 . 1 1 11 11 GLN HG2 H 1 2.33 . . 1 . . . . . . . . 5317 1 75 . 1 1 11 11 GLN HG3 H 1 2.33 . . 1 . . . . . . . . 5317 1 76 . 1 1 11 11 GLN HE21 H 1 6.89 . . 2 . . . . . . . . 5317 1 77 . 1 1 11 11 GLN HE22 H 1 7.55 . . 2 . . . . . . . . 5317 1 78 . 1 1 11 11 GLN NE2 N 15 112.4 . . 1 . . . . . . . . 5317 1 79 . 1 1 12 12 ALA N N 15 127.5 . . 1 . . . . . . . . 5317 1 80 . 1 1 12 12 ALA H H 1 8.41 . . 1 . . . . . . . . 5317 1 81 . 1 1 12 12 ALA C C 13 175.3 . . 1 . . . . . . . . 5317 1 82 . 1 1 12 12 ALA CA C 13 50.8 . . 1 . . . . . . . . 5317 1 83 . 1 1 12 12 ALA HA H 1 4.34 . . 1 . . . . . . . . 5317 1 84 . 1 1 12 12 ALA CB C 13 17.3 . . 1 . . . . . . . . 5317 1 85 . 1 1 12 12 ALA HB1 H 1 1.42 . . 1 . . . . . . . . 5317 1 86 . 1 1 12 12 ALA HB2 H 1 1.42 . . 1 . . . . . . . . 5317 1 87 . 1 1 12 12 ALA HB3 H 1 1.42 . . 1 . . . . . . . . 5317 1 88 . 1 1 13 13 TRP N N 15 122.8 . . 1 . . . . . . . . 5317 1 89 . 1 1 13 13 TRP H H 1 8.66 . . 1 . . . . . . . . 5317 1 90 . 1 1 13 13 TRP C C 13 175.2 . . 1 . . . . . . . . 5317 1 91 . 1 1 13 13 TRP CA C 13 56.1 . . 1 . . . . . . . . 5317 1 92 . 1 1 13 13 TRP HA H 1 4.16 . . 1 . . . . . . . . 5317 1 93 . 1 1 13 13 TRP CB C 13 26.6 . . 1 . . . . . . . . 5317 1 94 . 1 1 13 13 TRP HB2 H 1 2.95 . . 1 . . . . . . . . 5317 1 95 . 1 1 13 13 TRP HB3 H 1 3.28 . . 1 . . . . . . . . 5317 1 96 . 1 1 13 13 TRP HD1 H 1 7.27 . . 1 . . . . . . . . 5317 1 97 . 1 1 13 13 TRP HE1 H 1 9.92 . . 1 . . . . . . . . 5317 1 98 . 1 1 13 13 TRP HE3 H 1 7.73 . . 1 . . . . . . . . 5317 1 99 . 1 1 13 13 TRP HZ2 H 1 7.02 . . 1 . . . . . . . . 5317 1 100 . 1 1 13 13 TRP HZ3 H 1 6.93 . . 1 . . . . . . . . 5317 1 101 . 1 1 13 13 TRP HH2 H 1 6.60 . . 1 . . . . . . . . 5317 1 102 . 1 1 13 13 TRP NE1 N 15 128.4 . . 1 . . . . . . . . 5317 1 103 . 1 1 14 14 LEU N N 15 127.0 . . 1 . . . . . . . . 5317 1 104 . 1 1 14 14 LEU H H 1 9.13 . . 1 . . . . . . . . 5317 1 105 . 1 1 14 14 LEU C C 13 176.5 . . 1 . . . . . . . . 5317 1 106 . 1 1 14 14 LEU CA C 13 52.1 . . 1 . . . . . . . . 5317 1 107 . 1 1 14 14 LEU HA H 1 4.67 . . 1 . . . . . . . . 5317 1 108 . 1 1 14 14 LEU CB C 13 41.0 . . 1 . . . . . . . . 5317 1 109 . 1 1 14 14 LEU HB2 H 1 1.78 . . 2 . . . . . . . . 5317 1 110 . 1 1 14 14 LEU HB3 H 1 1.98 . . 2 . . . . . . . . 5317 1 111 . 1 1 14 14 LEU HG H 1 1.81 . . 1 . . . . . . . . 5317 1 112 . 1 1 14 14 LEU HD11 H 1 0.91 . . 1 . . . . . . . . 5317 1 113 . 1 1 14 14 LEU HD12 H 1 0.91 . . 1 . . . . . . . . 5317 1 114 . 1 1 14 14 LEU HD13 H 1 0.91 . . 1 . . . . . . . . 5317 1 115 . 1 1 14 14 LEU HD21 H 1 0.91 . . 1 . . . . . . . . 5317 1 116 . 1 1 14 14 LEU HD22 H 1 0.91 . . 1 . . . . . . . . 5317 1 117 . 1 1 14 14 LEU HD23 H 1 0.91 . . 1 . . . . . . . . 5317 1 118 . 1 1 15 15 TRP N N 15 124.3 . . 1 . . . . . . . . 5317 1 119 . 1 1 15 15 TRP H H 1 9.07 . . 1 . . . . . . . . 5317 1 120 . 1 1 15 15 TRP C C 13 176.5 . . 1 . . . . . . . . 5317 1 121 . 1 1 15 15 TRP CA C 13 59.4 . . 1 . . . . . . . . 5317 1 122 . 1 1 15 15 TRP HA H 1 4.47 . . 1 . . . . . . . . 5317 1 123 . 1 1 15 15 TRP CB C 13 26.7 . . 1 . . . . . . . . 5317 1 124 . 1 1 15 15 TRP HB2 H 1 3.31 . . 2 . . . . . . . . 5317 1 125 . 1 1 15 15 TRP HB3 H 1 3.55 . . 2 . . . . . . . . 5317 1 126 . 1 1 15 15 TRP HD1 H 1 7.38 . . 1 . . . . . . . . 5317 1 127 . 1 1 15 15 TRP HE1 H 1 10.22 . . 1 . . . . . . . . 5317 1 128 . 1 1 15 15 TRP HE3 H 1 7.58 . . 1 . . . . . . . . 5317 1 129 . 1 1 15 15 TRP HZ2 H 1 7.48 . . 1 . . . . . . . . 5317 1 130 . 1 1 15 15 TRP HZ3 H 1 7.50 . . 1 . . . . . . . . 5317 1 131 . 1 1 15 15 TRP HH2 H 1 7.20 . . 1 . . . . . . . . 5317 1 132 . 1 1 15 15 TRP NE1 N 15 129.4 . . 1 . . . . . . . . 5317 1 133 . 1 1 16 16 GLU N N 15 117.1 . . 1 . . . . . . . . 5317 1 134 . 1 1 16 16 GLU H H 1 8.94 . . 1 . . . . . . . . 5317 1 135 . 1 1 16 16 GLU C C 13 176.3 . . 1 . . . . . . . . 5317 1 136 . 1 1 16 16 GLU CA C 13 57.9 . . 1 . . . . . . . . 5317 1 137 . 1 1 16 16 GLU HA H 1 3.58 . . 1 . . . . . . . . 5317 1 138 . 1 1 16 16 GLU CB C 13 27.6 . . 1 . . . . . . . . 5317 1 139 . 1 1 16 16 GLU HB2 H 1 1.82 . . 1 . . . . . . . . 5317 1 140 . 1 1 16 16 GLU HB3 H 1 1.82 . . 1 . . . . . . . . 5317 1 141 . 1 1 16 16 GLU HG2 H 1 1.97 . . 2 . . . . . . . . 5317 1 142 . 1 1 16 16 GLU HG3 H 1 2.16 . . 2 . . . . . . . . 5317 1 143 . 1 1 17 17 GLU N N 15 116.8 . . 1 . . . . . . . . 5317 1 144 . 1 1 17 17 GLU H H 1 7.13 . . 1 . . . . . . . . 5317 1 145 . 1 1 17 17 GLU C C 13 176.3 . . 1 . . . . . . . . 5317 1 146 . 1 1 17 17 GLU CA C 13 58.2 . . 1 . . . . . . . . 5317 1 147 . 1 1 17 17 GLU HA H 1 3.99 . . 1 . . . . . . . . 5317 1 148 . 1 1 17 17 GLU CB C 13 30.5 . . 1 . . . . . . . . 5317 1 149 . 1 1 17 17 GLU HB2 H 1 2.69 . . 1 . . . . . . . . 5317 1 150 . 1 1 17 17 GLU HB3 H 1 2.90 . . 1 . . . . . . . . 5317 1 151 . 1 1 17 17 GLU HG2 H 1 2.14 . . 2 . . . . . . . . 5317 1 152 . 1 1 17 17 GLU HG3 H 1 2.46 . . 2 . . . . . . . . 5317 1 153 . 1 1 18 18 ASP N N 15 121.4 . . 1 . . . . . . . . 5317 1 154 . 1 1 18 18 ASP H H 1 7.95 . . 1 . . . . . . . . 5317 1 155 . 1 1 18 18 ASP C C 13 176.8 . . 1 . . . . . . . . 5317 1 156 . 1 1 18 18 ASP CA C 13 55.7 . . 1 . . . . . . . . 5317 1 157 . 1 1 18 18 ASP HA H 1 4.57 . . 1 . . . . . . . . 5317 1 158 . 1 1 18 18 ASP CB C 13 38.3 . . 1 . . . . . . . . 5317 1 159 . 1 1 18 18 ASP HB2 H 1 2.47 . . 1 . . . . . . . . 5317 1 160 . 1 1 18 18 ASP HB3 H 1 2.76 . . 1 . . . . . . . . 5317 1 161 . 1 1 19 19 LYS N N 15 120.0 . . 1 . . . . . . . . 5317 1 162 . 1 1 19 19 LYS H H 1 8.15 . . 1 . . . . . . . . 5317 1 163 . 1 1 19 19 LYS C C 13 176.5 . . 1 . . . . . . . . 5317 1 164 . 1 1 19 19 LYS CA C 13 57.6 . . 1 . . . . . . . . 5317 1 165 . 1 1 19 19 LYS HA H 1 3.76 . . 1 . . . . . . . . 5317 1 166 . 1 1 19 19 LYS CB C 13 29.9 . . 1 . . . . . . . . 5317 1 167 . 1 1 19 19 LYS HB2 H 1 1.30 . . 2 . . . . . . . . 5317 1 168 . 1 1 19 19 LYS HB3 H 1 1.56 . . 2 . . . . . . . . 5317 1 169 . 1 1 19 19 LYS HG2 H 1 1.17 . . 1 . . . . . . . . 5317 1 170 . 1 1 19 19 LYS HG3 H 1 1.17 . . 1 . . . . . . . . 5317 1 171 . 1 1 20 20 ASN N N 15 119.9 . . 1 . . . . . . . . 5317 1 172 . 1 1 20 20 ASN H H 1 7.96 . . 1 . . . . . . . . 5317 1 173 . 1 1 20 20 ASN C C 13 174.4 . . 1 . . . . . . . . 5317 1 174 . 1 1 20 20 ASN CA C 13 53.2 . . 1 . . . . . . . . 5317 1 175 . 1 1 20 20 ASN HA H 1 4.10 . . 1 . . . . . . . . 5317 1 176 . 1 1 20 20 ASN CB C 13 35.8 . . 1 . . . . . . . . 5317 1 177 . 1 1 20 20 ASN HB2 H 1 1.99 . . 2 . . . . . . . . 5317 1 178 . 1 1 20 20 ASN HB3 H 1 2.67 . . 2 . . . . . . . . 5317 1 179 . 1 1 20 20 ASN HD21 H 1 6.91 . . 2 . . . . . . . . 5317 1 180 . 1 1 20 20 ASN HD22 H 1 7.19 . . 2 . . . . . . . . 5317 1 181 . 1 1 20 20 ASN ND2 N 15 110.6 . . 1 . . . . . . . . 5317 1 182 . 1 1 21 21 LEU N N 15 122.5 . . 1 . . . . . . . . 5317 1 183 . 1 1 21 21 LEU H H 1 8.74 . . 1 . . . . . . . . 5317 1 184 . 1 1 21 21 LEU C C 13 175.3 . . 1 . . . . . . . . 5317 1 185 . 1 1 21 21 LEU CA C 13 56.8 . . 1 . . . . . . . . 5317 1 186 . 1 1 21 21 LEU HA H 1 4.16 . . 1 . . . . . . . . 5317 1 187 . 1 1 21 21 LEU CB C 13 40.7 . . 1 . . . . . . . . 5317 1 188 . 1 1 21 21 LEU HB2 H 1 1.93 . . 1 . . . . . . . . 5317 1 189 . 1 1 21 21 LEU HB3 H 1 2.36 . . 1 . . . . . . . . 5317 1 190 . 1 1 21 21 LEU HG H 1 1.91 . . 1 . . . . . . . . 5317 1 191 . 1 1 21 21 LEU HD11 H 1 1.01 . . 1 . . . . . . . . 5317 1 192 . 1 1 21 21 LEU HD12 H 1 1.01 . . 1 . . . . . . . . 5317 1 193 . 1 1 21 21 LEU HD13 H 1 1.01 . . 1 . . . . . . . . 5317 1 194 . 1 1 21 21 LEU HD21 H 1 1.08 . . 1 . . . . . . . . 5317 1 195 . 1 1 21 21 LEU HD22 H 1 1.08 . . 1 . . . . . . . . 5317 1 196 . 1 1 21 21 LEU HD23 H 1 1.08 . . 1 . . . . . . . . 5317 1 197 . 1 1 22 22 ARG N N 15 117.2 . . 1 . . . . . . . . 5317 1 198 . 1 1 22 22 ARG H H 1 8.21 . . 1 . . . . . . . . 5317 1 199 . 1 1 22 22 ARG C C 13 177.5 . . 1 . . . . . . . . 5317 1 200 . 1 1 22 22 ARG CA C 13 58.5 . . 1 . . . . . . . . 5317 1 201 . 1 1 22 22 ARG HA H 1 4.03 . . 1 . . . . . . . . 5317 1 202 . 1 1 22 22 ARG CB C 13 28.6 . . 1 . . . . . . . . 5317 1 203 . 1 1 22 22 ARG HB2 H 1 2.00 . . 1 . . . . . . . . 5317 1 204 . 1 1 22 22 ARG HB3 H 1 2.00 . . 1 . . . . . . . . 5317 1 205 . 1 1 22 22 ARG HG2 H 1 1.75 . . 1 . . . . . . . . 5317 1 206 . 1 1 22 22 ARG HG3 H 1 1.75 . . 1 . . . . . . . . 5317 1 207 . 1 1 22 22 ARG HD2 H 1 3.22 . . 2 . . . . . . . . 5317 1 208 . 1 1 22 22 ARG HD3 H 1 3.33 . . 2 . . . . . . . . 5317 1 209 . 1 1 23 23 SER N N 15 116.0 . . 1 . . . . . . . . 5317 1 210 . 1 1 23 23 SER H H 1 8.52 . . 1 . . . . . . . . 5317 1 211 . 1 1 23 23 SER C C 13 174.3 . . 1 . . . . . . . . 5317 1 212 . 1 1 23 23 SER CA C 13 60.6 . . 1 . . . . . . . . 5317 1 213 . 1 1 23 23 SER HA H 1 4.07 . . 1 . . . . . . . . 5317 1 214 . 1 1 23 23 SER CB C 13 70.0 . . 1 . . . . . . . . 5317 1 215 . 1 1 23 23 SER HB2 H 1 3.80 . . 2 . . . . . . . . 5317 1 216 . 1 1 23 23 SER HB3 H 1 3.88 . . 2 . . . . . . . . 5317 1 217 . 1 1 24 24 GLY N N 15 110.8 . . 1 . . . . . . . . 5317 1 218 . 1 1 24 24 GLY H H 1 8.62 . . 1 . . . . . . . . 5317 1 219 . 1 1 24 24 GLY C C 13 172.9 . . 1 . . . . . . . . 5317 1 220 . 1 1 24 24 GLY CA C 13 46.1 . . 1 . . . . . . . . 5317 1 221 . 1 1 24 24 GLY HA2 H 1 3.53 . . 2 . . . . . . . . 5317 1 222 . 1 1 24 24 GLY HA3 H 1 4.00 . . 2 . . . . . . . . 5317 1 223 . 1 1 25 25 VAL N N 15 123.7 . . 1 . . . . . . . . 5317 1 224 . 1 1 25 25 VAL H H 1 8.51 . . 1 . . . . . . . . 5317 1 225 . 1 1 25 25 VAL C C 13 176.8 . . 1 . . . . . . . . 5317 1 226 . 1 1 25 25 VAL CA C 13 64.4 . . 1 . . . . . . . . 5317 1 227 . 1 1 25 25 VAL HA H 1 3.05 . . 1 . . . . . . . . 5317 1 228 . 1 1 25 25 VAL CB C 13 28.6 . . 1 . . . . . . . . 5317 1 229 . 1 1 25 25 VAL HB H 1 1.30 . . 1 . . . . . . . . 5317 1 230 . 1 1 25 25 VAL HG11 H 1 -0.20 . . 1 . . . . . . . . 5317 1 231 . 1 1 25 25 VAL HG12 H 1 -0.20 . . 1 . . . . . . . . 5317 1 232 . 1 1 25 25 VAL HG13 H 1 -0.20 . . 1 . . . . . . . . 5317 1 233 . 1 1 25 25 VAL HG21 H 1 0.30 . . 1 . . . . . . . . 5317 1 234 . 1 1 25 25 VAL HG22 H 1 0.30 . . 1 . . . . . . . . 5317 1 235 . 1 1 25 25 VAL HG23 H 1 0.30 . . 1 . . . . . . . . 5317 1 236 . 1 1 26 26 ARG N N 15 120.1 . . 1 . . . . . . . . 5317 1 237 . 1 1 26 26 ARG H H 1 7.59 . . 1 . . . . . . . . 5317 1 238 . 1 1 26 26 ARG C C 13 175.1 . . 1 . . . . . . . . 5317 1 239 . 1 1 26 26 ARG CA C 13 57.4 . . 1 . . . . . . . . 5317 1 240 . 1 1 26 26 ARG HA H 1 3.89 . . 1 . . . . . . . . 5317 1 241 . 1 1 26 26 ARG CB C 13 27.8 . . 1 . . . . . . . . 5317 1 242 . 1 1 26 26 ARG HB2 H 1 1.91 . . 1 . . . . . . . . 5317 1 243 . 1 1 26 26 ARG HB3 H 1 1.91 . . 1 . . . . . . . . 5317 1 244 . 1 1 26 26 ARG HG2 H 1 1.66 . . 1 . . . . . . . . 5317 1 245 . 1 1 26 26 ARG HG3 H 1 1.66 . . 1 . . . . . . . . 5317 1 246 . 1 1 26 26 ARG HD2 H 1 3.20 . . 1 . . . . . . . . 5317 1 247 . 1 1 26 26 ARG HD3 H 1 3.20 . . 1 . . . . . . . . 5317 1 248 . 1 1 27 27 LYS N N 15 117.0 . . 1 . . . . . . . . 5317 1 249 . 1 1 27 27 LYS H H 1 7.70 . . 1 . . . . . . . . 5317 1 250 . 1 1 27 27 LYS C C 13 175.5 . . 1 . . . . . . . . 5317 1 251 . 1 1 27 27 LYS CA C 13 56.9 . . 1 . . . . . . . . 5317 1 252 . 1 1 27 27 LYS HA H 1 3.89 . . 1 . . . . . . . . 5317 1 253 . 1 1 27 27 LYS CB C 13 31.8 . . 1 . . . . . . . . 5317 1 254 . 1 1 27 27 LYS HB2 H 1 1.31 . . 2 . . . . . . . . 5317 1 255 . 1 1 27 27 LYS HB3 H 1 1.50 . . 2 . . . . . . . . 5317 1 256 . 1 1 27 27 LYS HG2 H 1 0.21 . . 2 . . . . . . . . 5317 1 257 . 1 1 27 27 LYS HG3 H 1 0.74 . . 2 . . . . . . . . 5317 1 258 . 1 1 27 27 LYS HD2 H 1 1.30 . . 1 . . . . . . . . 5317 1 259 . 1 1 27 27 LYS HD3 H 1 1.30 . . 1 . . . . . . . . 5317 1 260 . 1 1 28 28 TYR N N 15 113.9 . . 1 . . . . . . . . 5317 1 261 . 1 1 28 28 TYR H H 1 8.73 . . 1 . . . . . . . . 5317 1 262 . 1 1 28 28 TYR C C 13 174.3 . . 1 . . . . . . . . 5317 1 263 . 1 1 28 28 TYR CA C 13 56.7 . . 1 . . . . . . . . 5317 1 264 . 1 1 28 28 TYR HA H 1 4.57 . . 1 . . . . . . . . 5317 1 265 . 1 1 28 28 TYR CB C 13 37.4 . . 1 . . . . . . . . 5317 1 266 . 1 1 28 28 TYR HB2 H 1 2.60 . . 2 . . . . . . . . 5317 1 267 . 1 1 28 28 TYR HB3 H 1 3.05 . . 2 . . . . . . . . 5317 1 268 . 1 1 28 28 TYR HD1 H 1 6.58 . . 1 . . . . . . . . 5317 1 269 . 1 1 28 28 TYR HD2 H 1 6.58 . . 1 . . . . . . . . 5317 1 270 . 1 1 28 28 TYR HE1 H 1 7.15 . . 1 . . . . . . . . 5317 1 271 . 1 1 28 28 TYR HE2 H 1 7.15 . . 1 . . . . . . . . 5317 1 272 . 1 1 29 29 GLY N N 15 110.5 . . 1 . . . . . . . . 5317 1 273 . 1 1 29 29 GLY H H 1 7.90 . . 1 . . . . . . . . 5317 1 274 . 1 1 29 29 GLY C C 13 170.7 . . 1 . . . . . . . . 5317 1 275 . 1 1 29 29 GLY CA C 13 42.3 . . 1 . . . . . . . . 5317 1 276 . 1 1 29 29 GLY HA2 H 1 3.69 . . 2 . . . . . . . . 5317 1 277 . 1 1 29 29 GLY HA3 H 1 4.20 . . 2 . . . . . . . . 5317 1 278 . 1 1 30 30 GLU N N 15 120.0 . . 1 . . . . . . . . 5317 1 279 . 1 1 30 30 GLU H H 1 8.37 . . 1 . . . . . . . . 5317 1 280 . 1 1 30 30 GLU C C 13 173.7 . . 1 . . . . . . . . 5317 1 281 . 1 1 30 30 GLU CA C 13 55.6 . . 1 . . . . . . . . 5317 1 282 . 1 1 30 30 GLU HA H 1 2.96 . . 1 . . . . . . . . 5317 1 283 . 1 1 30 30 GLU CB C 13 27.7 . . 1 . . . . . . . . 5317 1 284 . 1 1 30 30 GLU HB2 H 1 2.10 . . 2 . . . . . . . . 5317 1 285 . 1 1 30 30 GLU HB3 H 1 2.19 . . 2 . . . . . . . . 5317 1 286 . 1 1 31 31 GLY N N 15 108.6 . . 1 . . . . . . . . 5317 1 287 . 1 1 31 31 GLY H H 1 5.33 . . 1 . . . . . . . . 5317 1 288 . 1 1 31 31 GLY C C 13 171.5 . . 1 . . . . . . . . 5317 1 289 . 1 1 31 31 GLY CA C 13 43.1 . . 1 . . . . . . . . 5317 1 290 . 1 1 31 31 GLY HA2 H 1 3.41 . . 2 . . . . . . . . 5317 1 291 . 1 1 31 31 GLY HA3 H 1 4.10 . . 2 . . . . . . . . 5317 1 292 . 1 1 32 32 ASN N N 15 121.4 . . 1 . . . . . . . . 5317 1 293 . 1 1 32 32 ASN H H 1 7.09 . . 1 . . . . . . . . 5317 1 294 . 1 1 32 32 ASN C C 13 173.3 . . 1 . . . . . . . . 5317 1 295 . 1 1 32 32 ASN CA C 13 49.7 . . 1 . . . . . . . . 5317 1 296 . 1 1 32 32 ASN HA H 1 5.01 . . 1 . . . . . . . . 5317 1 297 . 1 1 32 32 ASN CB C 13 35.2 . . 1 . . . . . . . . 5317 1 298 . 1 1 32 32 ASN HB2 H 1 2.13 . . 2 . . . . . . . . 5317 1 299 . 1 1 32 32 ASN HB3 H 1 2.61 . . 2 . . . . . . . . 5317 1 300 . 1 1 32 32 ASN HD21 H 1 6.95 . . 2 . . . . . . . . 5317 1 301 . 1 1 32 32 ASN HD22 H 1 7.65 . . 2 . . . . . . . . 5317 1 302 . 1 1 32 32 ASN ND2 N 15 114.0 . . 1 . . . . . . . . 5317 1 303 . 1 1 33 33 TRP N N 15 117.8 . . 1 . . . . . . . . 5317 1 304 . 1 1 33 33 TRP H H 1 6.60 . . 1 . . . . . . . . 5317 1 305 . 1 1 33 33 TRP C C 13 175.6 . . 1 . . . . . . . . 5317 1 306 . 1 1 33 33 TRP CA C 13 56.6 . . 1 . . . . . . . . 5317 1 307 . 1 1 33 33 TRP HA H 1 4.16 . . 1 . . . . . . . . 5317 1 308 . 1 1 33 33 TRP CB C 13 28.4 . . 1 . . . . . . . . 5317 1 309 . 1 1 33 33 TRP HB2 H 1 3.11 . . 1 . . . . . . . . 5317 1 310 . 1 1 33 33 TRP HB3 H 1 3.47 . . 1 . . . . . . . . 5317 1 311 . 1 1 33 33 TRP HD1 H 1 7.43 . . 1 . . . . . . . . 5317 1 312 . 1 1 33 33 TRP HE1 H 1 10.83 . . 1 . . . . . . . . 5317 1 313 . 1 1 33 33 TRP HE3 H 1 7.16 . . 1 . . . . . . . . 5317 1 314 . 1 1 33 33 TRP HZ2 H 1 7.70 . . 1 . . . . . . . . 5317 1 315 . 1 1 33 33 TRP HZ3 H 1 6.38 . . 1 . . . . . . . . 5317 1 316 . 1 1 33 33 TRP HH2 H 1 6.73 . . 1 . . . . . . . . 5317 1 317 . 1 1 33 33 TRP NE1 N 15 130.6 . . 1 . . . . . . . . 5317 1 318 . 1 1 34 34 SER N N 15 112.8 . . 1 . . . . . . . . 5317 1 319 . 1 1 34 34 SER H H 1 8.71 . . 1 . . . . . . . . 5317 1 320 . 1 1 34 34 SER C C 13 174.0 . . 1 . . . . . . . . 5317 1 321 . 1 1 34 34 SER CA C 13 56.5 . . 1 . . . . . . . . 5317 1 322 . 1 1 34 34 SER HA H 1 3.92 . . 1 . . . . . . . . 5317 1 323 . 1 1 34 34 SER CB C 13 60.2 . . 1 . . . . . . . . 5317 1 324 . 1 1 34 34 SER HB2 H 1 4.17 . . 1 . . . . . . . . 5317 1 325 . 1 1 34 34 SER HB3 H 1 4.17 . . 1 . . . . . . . . 5317 1 326 . 1 1 35 35 LYS N N 15 121.5 . . 1 . . . . . . . . 5317 1 327 . 1 1 35 35 LYS H H 1 7.26 . . 1 . . . . . . . . 5317 1 328 . 1 1 35 35 LYS C C 13 176.3 . . 1 . . . . . . . . 5317 1 329 . 1 1 35 35 LYS CA C 13 57.0 . . 1 . . . . . . . . 5317 1 330 . 1 1 35 35 LYS HA H 1 3.90 . . 1 . . . . . . . . 5317 1 331 . 1 1 35 35 LYS CB C 13 30.4 . . 1 . . . . . . . . 5317 1 332 . 1 1 35 35 LYS HB2 H 1 1.09 . . 2 . . . . . . . . 5317 1 333 . 1 1 35 35 LYS HB3 H 1 1.43 . . 2 . . . . . . . . 5317 1 334 . 1 1 35 35 LYS HG2 H 1 1.53 . . 1 . . . . . . . . 5317 1 335 . 1 1 35 35 LYS HG3 H 1 1.53 . . 1 . . . . . . . . 5317 1 336 . 1 1 35 35 LYS HE2 H 1 2.71 . . 1 . . . . . . . . 5317 1 337 . 1 1 35 35 LYS HE3 H 1 2.71 . . 1 . . . . . . . . 5317 1 338 . 1 1 36 36 ILE N N 15 119.4 . . 1 . . . . . . . . 5317 1 339 . 1 1 36 36 ILE H H 1 7.44 . . 1 . . . . . . . . 5317 1 340 . 1 1 36 36 ILE C C 13 175.2 . . 1 . . . . . . . . 5317 1 341 . 1 1 36 36 ILE CA C 13 64.9 . . 1 . . . . . . . . 5317 1 342 . 1 1 36 36 ILE HA H 1 3.68 . . 1 . . . . . . . . 5317 1 343 . 1 1 36 36 ILE CB C 13 36.6 . . 1 . . . . . . . . 5317 1 344 . 1 1 36 36 ILE HB H 1 1.91 . . 1 . . . . . . . . 5317 1 345 . 1 1 36 36 ILE HG12 H 1 0.76 . . 1 . . . . . . . . 5317 1 346 . 1 1 36 36 ILE HG13 H 1 1.82 . . 1 . . . . . . . . 5317 1 347 . 1 1 36 36 ILE HG21 H 1 1.23 . . 1 . . . . . . . . 5317 1 348 . 1 1 36 36 ILE HG22 H 1 1.23 . . 1 . . . . . . . . 5317 1 349 . 1 1 36 36 ILE HG23 H 1 1.23 . . 1 . . . . . . . . 5317 1 350 . 1 1 36 36 ILE HD11 H 1 0.54 . . 1 . . . . . . . . 5317 1 351 . 1 1 36 36 ILE HD12 H 1 0.54 . . 1 . . . . . . . . 5317 1 352 . 1 1 36 36 ILE HD13 H 1 0.54 . . 1 . . . . . . . . 5317 1 353 . 1 1 37 37 LEU N N 15 118.2 . . 1 . . . . . . . . 5317 1 354 . 1 1 37 37 LEU H H 1 7.96 . . 1 . . . . . . . . 5317 1 355 . 1 1 37 37 LEU C C 13 175.0 . . 1 . . . . . . . . 5317 1 356 . 1 1 37 37 LEU CA C 13 55.7 . . 1 . . . . . . . . 5317 1 357 . 1 1 37 37 LEU HA H 1 4.25 . . 1 . . . . . . . . 5317 1 358 . 1 1 37 37 LEU CB C 13 41.0 . . 1 . . . . . . . . 5317 1 359 . 1 1 37 37 LEU HB2 H 1 1.59 . . 1 . . . . . . . . 5317 1 360 . 1 1 37 37 LEU HB3 H 1 1.83 . . 1 . . . . . . . . 5317 1 361 . 1 1 37 37 LEU HG H 1 1.69 . . 1 . . . . . . . . 5317 1 362 . 1 1 37 37 LEU HD11 H 1 1.75 . . 1 . . . . . . . . 5317 1 363 . 1 1 37 37 LEU HD12 H 1 1.75 . . 1 . . . . . . . . 5317 1 364 . 1 1 37 37 LEU HD13 H 1 1.75 . . 1 . . . . . . . . 5317 1 365 . 1 1 37 37 LEU HD21 H 1 1.75 . . 1 . . . . . . . . 5317 1 366 . 1 1 37 37 LEU HD22 H 1 1.75 . . 1 . . . . . . . . 5317 1 367 . 1 1 37 37 LEU HD23 H 1 1.75 . . 1 . . . . . . . . 5317 1 368 . 1 1 38 38 LEU N N 15 113.6 . . 1 . . . . . . . . 5317 1 369 . 1 1 38 38 LEU H H 1 7.21 . . 1 . . . . . . . . 5317 1 370 . 1 1 38 38 LEU C C 13 176.5 . . 1 . . . . . . . . 5317 1 371 . 1 1 38 38 LEU CA C 13 54.2 . . 1 . . . . . . . . 5317 1 372 . 1 1 38 38 LEU HA H 1 4.21 . . 1 . . . . . . . . 5317 1 373 . 1 1 38 38 LEU CB C 13 40.9 . . 1 . . . . . . . . 5317 1 374 . 1 1 38 38 LEU HB2 H 1 1.38 . . 1 . . . . . . . . 5317 1 375 . 1 1 38 38 LEU HB3 H 1 1.58 . . 1 . . . . . . . . 5317 1 376 . 1 1 38 38 LEU HG H 1 1.53 . . 1 . . . . . . . . 5317 1 377 . 1 1 38 38 LEU HD11 H 1 0.77 . . 1 . . . . . . . . 5317 1 378 . 1 1 38 38 LEU HD12 H 1 0.77 . . 1 . . . . . . . . 5317 1 379 . 1 1 38 38 LEU HD13 H 1 0.77 . . 1 . . . . . . . . 5317 1 380 . 1 1 38 38 LEU HD21 H 1 0.77 . . 1 . . . . . . . . 5317 1 381 . 1 1 38 38 LEU HD22 H 1 0.77 . . 1 . . . . . . . . 5317 1 382 . 1 1 38 38 LEU HD23 H 1 0.77 . . 1 . . . . . . . . 5317 1 383 . 1 1 39 39 HIS N N 15 115.3 . . 1 . . . . . . . . 5317 1 384 . 1 1 39 39 HIS H H 1 7.64 . . 1 . . . . . . . . 5317 1 385 . 1 1 39 39 HIS C C 13 171.5 . . 1 . . . . . . . . 5317 1 386 . 1 1 39 39 HIS CA C 13 55.9 . . 1 . . . . . . . . 5317 1 387 . 1 1 39 39 HIS HA H 1 4.40 . . 1 . . . . . . . . 5317 1 388 . 1 1 39 39 HIS CB C 13 30.0 . . 1 . . . . . . . . 5317 1 389 . 1 1 39 39 HIS HB2 H 1 2.83 . . 1 . . . . . . . . 5317 1 390 . 1 1 39 39 HIS HB3 H 1 3.09 . . 1 . . . . . . . . 5317 1 391 . 1 1 39 39 HIS HD2 H 1 6.50 . . 1 . . . . . . . . 5317 1 392 . 1 1 39 39 HIS HE1 H 1 7.93 . . 1 . . . . . . . . 5317 1 393 . 1 1 40 40 TYR N N 15 116.8 . . 1 . . . . . . . . 5317 1 394 . 1 1 40 40 TYR H H 1 7.87 . . 1 . . . . . . . . 5317 1 395 . 1 1 40 40 TYR C C 13 171.2 . . 1 . . . . . . . . 5317 1 396 . 1 1 40 40 TYR CA C 13 54.7 . . 1 . . . . . . . . 5317 1 397 . 1 1 40 40 TYR HA H 1 3.58 . . 1 . . . . . . . . 5317 1 398 . 1 1 40 40 TYR CB C 13 39.7 . . 1 . . . . . . . . 5317 1 399 . 1 1 40 40 TYR HB2 H 1 2.47 . . 2 . . . . . . . . 5317 1 400 . 1 1 40 40 TYR HB3 H 1 2.82 . . 2 . . . . . . . . 5317 1 401 . 1 1 40 40 TYR HD1 H 1 7.40 . . 1 . . . . . . . . 5317 1 402 . 1 1 40 40 TYR HD2 H 1 7.40 . . 1 . . . . . . . . 5317 1 403 . 1 1 40 40 TYR HE1 H 1 6.74 . . 1 . . . . . . . . 5317 1 404 . 1 1 40 40 TYR HE2 H 1 6.74 . . 1 . . . . . . . . 5317 1 405 . 1 1 41 41 LYS N N 15 119.2 . . 1 . . . . . . . . 5317 1 406 . 1 1 41 41 LYS H H 1 7.86 . . 1 . . . . . . . . 5317 1 407 . 1 1 41 41 LYS C C 13 173.3 . . 1 . . . . . . . . 5317 1 408 . 1 1 41 41 LYS CA C 13 54.4 . . 1 . . . . . . . . 5317 1 409 . 1 1 41 41 LYS HA H 1 4.33 . . 1 . . . . . . . . 5317 1 410 . 1 1 41 41 LYS CB C 13 30.8 . . 1 . . . . . . . . 5317 1 411 . 1 1 41 41 LYS HB2 H 1 1.56 . . 1 . . . . . . . . 5317 1 412 . 1 1 41 41 LYS HB3 H 1 1.56 . . 1 . . . . . . . . 5317 1 413 . 1 1 41 41 LYS HG2 H 1 1.19 . . 4 . . . . . . . . 5317 1 414 . 1 1 41 41 LYS HG3 H 1 1.32 . . 4 . . . . . . . . 5317 1 415 . 1 1 41 41 LYS HD2 H 1 1.62 . . 4 . . . . . . . . 5317 1 416 . 1 1 41 41 LYS HD3 H 1 1.62 . . 4 . . . . . . . . 5317 1 417 . 1 1 41 41 LYS HE2 H 1 2.92 . . 1 . . . . . . . . 5317 1 418 . 1 1 41 41 LYS HE3 H 1 2.92 . . 1 . . . . . . . . 5317 1 419 . 1 1 42 42 PHE N N 15 123.0 . . 1 . . . . . . . . 5317 1 420 . 1 1 42 42 PHE H H 1 8.45 . . 1 . . . . . . . . 5317 1 421 . 1 1 42 42 PHE C C 13 172.4 . . 1 . . . . . . . . 5317 1 422 . 1 1 42 42 PHE CA C 13 55.2 . . 1 . . . . . . . . 5317 1 423 . 1 1 42 42 PHE HA H 1 4.66 . . 1 . . . . . . . . 5317 1 424 . 1 1 42 42 PHE CB C 13 40.0 . . 1 . . . . . . . . 5317 1 425 . 1 1 42 42 PHE HB2 H 1 2.89 . . 1 . . . . . . . . 5317 1 426 . 1 1 42 42 PHE HB3 H 1 3.05 . . 1 . . . . . . . . 5317 1 427 . 1 1 42 42 PHE HD1 H 1 7.46 . . 1 . . . . . . . . 5317 1 428 . 1 1 42 42 PHE HD2 H 1 7.46 . . 1 . . . . . . . . 5317 1 429 . 1 1 42 42 PHE HE1 H 1 7.66 . . 1 . . . . . . . . 5317 1 430 . 1 1 42 42 PHE HE2 H 1 7.66 . . 1 . . . . . . . . 5317 1 431 . 1 1 42 42 PHE HZ H 1 6.66 . . 1 . . . . . . . . 5317 1 432 . 1 1 43 43 ASN N N 15 121.7 . . 1 . . . . . . . . 5317 1 433 . 1 1 43 43 ASN H H 1 9.42 . . 1 . . . . . . . . 5317 1 434 . 1 1 43 43 ASN C C 13 171.2 . . 1 . . . . . . . . 5317 1 435 . 1 1 43 43 ASN CA C 13 49.9 . . 1 . . . . . . . . 5317 1 436 . 1 1 43 43 ASN HA H 1 4.75 . . 1 . . . . . . . . 5317 1 437 . 1 1 43 43 ASN CB C 13 35.2 . . 1 . . . . . . . . 5317 1 438 . 1 1 43 43 ASN HB2 H 1 2.54 . . 2 . . . . . . . . 5317 1 439 . 1 1 43 43 ASN HB3 H 1 2.72 . . 2 . . . . . . . . 5317 1 440 . 1 1 43 43 ASN HD21 H 1 6.77 . . 2 . . . . . . . . 5317 1 441 . 1 1 43 43 ASN HD22 H 1 7.32 . . 2 . . . . . . . . 5317 1 442 . 1 1 43 43 ASN ND2 N 15 111.5 . . 1 . . . . . . . . 5317 1 443 . 1 1 44 44 ASN N N 15 120.6 . . 1 . . . . . . . . 5317 1 444 . 1 1 44 44 ASN H H 1 8.43 . . 1 . . . . . . . . 5317 1 445 . 1 1 44 44 ASN C C 13 172.2 . . 1 . . . . . . . . 5317 1 446 . 1 1 44 44 ASN CA C 13 52.2 . . 1 . . . . . . . . 5317 1 447 . 1 1 44 44 ASN HA H 1 4.27 . . 1 . . . . . . . . 5317 1 448 . 1 1 44 44 ASN CB C 13 35.3 . . 1 . . . . . . . . 5317 1 449 . 1 1 44 44 ASN HB2 H 1 2.57 . . 2 . . . . . . . . 5317 1 450 . 1 1 44 44 ASN HB3 H 1 2.89 . . 2 . . . . . . . . 5317 1 451 . 1 1 44 44 ASN HD21 H 1 6.84 . . 2 . . . . . . . . 5317 1 452 . 1 1 44 44 ASN HD22 H 1 7.50 . . 2 . . . . . . . . 5317 1 453 . 1 1 44 44 ASN ND2 N 15 113.0 . . 1 . . . . . . . . 5317 1 454 . 1 1 45 45 ARG N N 15 113.9 . . 1 . . . . . . . . 5317 1 455 . 1 1 45 45 ARG H H 1 8.03 . . 1 . . . . . . . . 5317 1 456 . 1 1 45 45 ARG C C 13 173.4 . . 1 . . . . . . . . 5317 1 457 . 1 1 45 45 ARG CA C 13 50.3 . . 1 . . . . . . . . 5317 1 458 . 1 1 45 45 ARG HA H 1 5.50 . . 1 . . . . . . . . 5317 1 459 . 1 1 45 45 ARG CB C 13 29.6 . . 1 . . . . . . . . 5317 1 460 . 1 1 45 45 ARG HB2 H 1 1.45 . . 1 . . . . . . . . 5317 1 461 . 1 1 45 45 ARG HB3 H 1 1.45 . . 1 . . . . . . . . 5317 1 462 . 1 1 45 45 ARG HG2 H 1 1.24 . . 1 . . . . . . . . 5317 1 463 . 1 1 45 45 ARG HG3 H 1 1.24 . . 1 . . . . . . . . 5317 1 464 . 1 1 45 45 ARG HD2 H 1 2.33 . . 2 . . . . . . . . 5317 1 465 . 1 1 45 45 ARG HD3 H 1 2.72 . . 2 . . . . . . . . 5317 1 466 . 1 1 45 45 ARG HE H 1 8.02 . . 1 . . . . . . . . 5317 1 467 . 1 1 45 45 ARG NE N 15 85.9 . . 1 . . . . . . . . 5317 1 468 . 1 1 46 46 THR N N 15 108.4 . . 1 . . . . . . . . 5317 1 469 . 1 1 46 46 THR H H 1 7.08 . . 1 . . . . . . . . 5317 1 470 . 1 1 46 46 THR C C 13 173.7 . . 1 . . . . . . . . 5317 1 471 . 1 1 46 46 THR CA C 13 57.2 . . 1 . . . . . . . . 5317 1 472 . 1 1 46 46 THR HA H 1 4.67 . . 1 . . . . . . . . 5317 1 473 . 1 1 46 46 THR CB C 13 69.7 . . 1 . . . . . . . . 5317 1 474 . 1 1 46 46 THR HB H 1 4.67 . . 1 . . . . . . . . 5317 1 475 . 1 1 46 46 THR HG21 H 1 1.22 . . 1 . . . . . . . . 5317 1 476 . 1 1 46 46 THR HG22 H 1 1.22 . . 1 . . . . . . . . 5317 1 477 . 1 1 46 46 THR HG23 H 1 1.22 . . 1 . . . . . . . . 5317 1 478 . 1 1 47 47 SER N N 15 117.3 . . 1 . . . . . . . . 5317 1 479 . 1 1 47 47 SER H H 1 9.26 . . 1 . . . . . . . . 5317 1 480 . 1 1 47 47 SER C C 13 173.7 . . 1 . . . . . . . . 5317 1 481 . 1 1 47 47 SER CA C 13 60.2 . . 1 . . . . . . . . 5317 1 482 . 1 1 47 47 SER HA H 1 3.76 . . 1 . . . . . . . . 5317 1 483 . 1 1 47 47 SER HB2 H 1 3.90 . . 1 . . . . . . . . 5317 1 484 . 1 1 47 47 SER HB3 H 1 3.90 . . 1 . . . . . . . . 5317 1 485 . 1 1 48 48 VAL N N 15 119.5 . . 1 . . . . . . . . 5317 1 486 . 1 1 48 48 VAL H H 1 7.47 . . 1 . . . . . . . . 5317 1 487 . 1 1 48 48 VAL C C 13 174.6 . . 1 . . . . . . . . 5317 1 488 . 1 1 48 48 VAL CA C 13 63.3 . . 1 . . . . . . . . 5317 1 489 . 1 1 48 48 VAL HA H 1 3.54 . . 1 . . . . . . . . 5317 1 490 . 1 1 48 48 VAL CB C 13 29.8 . . 1 . . . . . . . . 5317 1 491 . 1 1 48 48 VAL HB H 1 1.92 . . 1 . . . . . . . . 5317 1 492 . 1 1 48 48 VAL HG11 H 1 0.87 . . 1 . . . . . . . . 5317 1 493 . 1 1 48 48 VAL HG12 H 1 0.87 . . 1 . . . . . . . . 5317 1 494 . 1 1 48 48 VAL HG13 H 1 0.87 . . 1 . . . . . . . . 5317 1 495 . 1 1 48 48 VAL HG21 H 1 0.98 . . 1 . . . . . . . . 5317 1 496 . 1 1 48 48 VAL HG22 H 1 0.98 . . 1 . . . . . . . . 5317 1 497 . 1 1 48 48 VAL HG23 H 1 0.98 . . 1 . . . . . . . . 5317 1 498 . 1 1 49 49 MET N N 15 117.9 . . 1 . . . . . . . . 5317 1 499 . 1 1 49 49 MET H H 1 7.32 . . 1 . . . . . . . . 5317 1 500 . 1 1 49 49 MET C C 13 177.1 . . 1 . . . . . . . . 5317 1 501 . 1 1 49 49 MET CA C 13 57.2 . . 1 . . . . . . . . 5317 1 502 . 1 1 49 49 MET HA H 1 4.26 . . 1 . . . . . . . . 5317 1 503 . 1 1 49 49 MET CB C 13 31.3 . . 1 . . . . . . . . 5317 1 504 . 1 1 49 49 MET HB2 H 1 2.27 . . 1 . . . . . . . . 5317 1 505 . 1 1 49 49 MET HB3 H 1 2.27 . . 1 . . . . . . . . 5317 1 506 . 1 1 49 49 MET HG2 H 1 2.85 . . 1 . . . . . . . . 5317 1 507 . 1 1 49 49 MET HG3 H 1 2.85 . . 1 . . . . . . . . 5317 1 508 . 1 1 50 50 LEU N N 15 119.3 . . 1 . . . . . . . . 5317 1 509 . 1 1 50 50 LEU H H 1 7.51 . . 1 . . . . . . . . 5317 1 510 . 1 1 50 50 LEU C C 13 174.0 . . 1 . . . . . . . . 5317 1 511 . 1 1 50 50 LEU CA C 13 56.8 . . 1 . . . . . . . . 5317 1 512 . 1 1 50 50 LEU HA H 1 3.76 . . 1 . . . . . . . . 5317 1 513 . 1 1 50 50 LEU CB C 13 39.2 . . 1 . . . . . . . . 5317 1 514 . 1 1 50 50 LEU HB2 H 1 1.36 . . 1 . . . . . . . . 5317 1 515 . 1 1 50 50 LEU HB3 H 1 1.80 . . 1 . . . . . . . . 5317 1 516 . 1 1 50 50 LEU HG H 1 1.64 . . 1 . . . . . . . . 5317 1 517 . 1 1 50 50 LEU HD11 H 1 0.28 . . 1 . . . . . . . . 5317 1 518 . 1 1 50 50 LEU HD12 H 1 0.28 . . 1 . . . . . . . . 5317 1 519 . 1 1 50 50 LEU HD13 H 1 0.28 . . 1 . . . . . . . . 5317 1 520 . 1 1 50 50 LEU HD21 H 1 0.56 . . 1 . . . . . . . . 5317 1 521 . 1 1 50 50 LEU HD22 H 1 0.56 . . 1 . . . . . . . . 5317 1 522 . 1 1 50 50 LEU HD23 H 1 0.56 . . 1 . . . . . . . . 5317 1 523 . 1 1 51 51 LYS N N 15 119.3 . . 1 . . . . . . . . 5317 1 524 . 1 1 51 51 LYS H H 1 6.81 . . 1 . . . . . . . . 5317 1 525 . 1 1 51 51 LYS C C 13 176.5 . . 1 . . . . . . . . 5317 1 526 . 1 1 51 51 LYS CA C 13 57.0 . . 1 . . . . . . . . 5317 1 527 . 1 1 51 51 LYS HA H 1 2.04 . . 1 . . . . . . . . 5317 1 528 . 1 1 51 51 LYS CB C 13 29.4 . . 1 . . . . . . . . 5317 1 529 . 1 1 51 51 LYS HB2 H 1 0.27 . . 2 . . . . . . . . 5317 1 530 . 1 1 51 51 LYS HB3 H 1 1.41 . . 2 . . . . . . . . 5317 1 531 . 1 1 51 51 LYS HG2 H 1 1.00 . . 2 . . . . . . . . 5317 1 532 . 1 1 51 51 LYS HG3 H 1 1.20 . . 2 . . . . . . . . 5317 1 533 . 1 1 52 52 ASP N N 15 118.2 . . 1 . . . . . . . . 5317 1 534 . 1 1 52 52 ASP H H 1 8.01 . . 1 . . . . . . . . 5317 1 535 . 1 1 52 52 ASP C C 13 176.3 . . 1 . . . . . . . . 5317 1 536 . 1 1 52 52 ASP CA C 13 55.0 . . 1 . . . . . . . . 5317 1 537 . 1 1 52 52 ASP HA H 1 4.22 . . 1 . . . . . . . . 5317 1 538 . 1 1 52 52 ASP CB C 13 38.5 . . 1 . . . . . . . . 5317 1 539 . 1 1 52 52 ASP HB2 H 1 2.55 . . 1 . . . . . . . . 5317 1 540 . 1 1 52 52 ASP HB3 H 1 2.55 . . 1 . . . . . . . . 5317 1 541 . 1 1 53 53 ARG N N 15 122.2 . . 1 . . . . . . . . 5317 1 542 . 1 1 53 53 ARG H H 1 7.97 . . 1 . . . . . . . . 5317 1 543 . 1 1 53 53 ARG C C 13 175.6 . . 1 . . . . . . . . 5317 1 544 . 1 1 53 53 ARG CA C 13 54.8 . . 1 . . . . . . . . 5317 1 545 . 1 1 53 53 ARG HA H 1 3.68 . . 1 . . . . . . . . 5317 1 546 . 1 1 53 53 ARG CB C 13 27.2 . . 1 . . . . . . . . 5317 1 547 . 1 1 53 53 ARG HB2 H 1 0.79 . . 1 . . . . . . . . 5317 1 548 . 1 1 53 53 ARG HB3 H 1 1.30 . . 1 . . . . . . . . 5317 1 549 . 1 1 53 53 ARG HG2 H 1 -0.30 . . 2 . . . . . . . . 5317 1 550 . 1 1 53 53 ARG HG3 H 1 0.67 . . 2 . . . . . . . . 5317 1 551 . 1 1 53 53 ARG HD2 H 1 0.83 . . 2 . . . . . . . . 5317 1 552 . 1 1 53 53 ARG HD3 H 1 2.58 . . 2 . . . . . . . . 5317 1 553 . 1 1 53 53 ARG HE H 1 8.08 . . 1 . . . . . . . . 5317 1 554 . 1 1 53 53 ARG NE N 15 86.3 . . 1 . . . . . . . . 5317 1 555 . 1 1 54 54 TRP N N 15 120.9 . . 1 . . . . . . . . 5317 1 556 . 1 1 54 54 TRP H H 1 8.34 . . 1 . . . . . . . . 5317 1 557 . 1 1 54 54 TRP C C 13 174.7 . . 1 . . . . . . . . 5317 1 558 . 1 1 54 54 TRP CA C 13 57.7 . . 1 . . . . . . . . 5317 1 559 . 1 1 54 54 TRP HA H 1 4.33 . . 1 . . . . . . . . 5317 1 560 . 1 1 54 54 TRP CB C 13 28.2 . . 1 . . . . . . . . 5317 1 561 . 1 1 54 54 TRP HB2 H 1 3.12 . . 1 . . . . . . . . 5317 1 562 . 1 1 54 54 TRP HB3 H 1 3.12 . . 1 . . . . . . . . 5317 1 563 . 1 1 54 54 TRP HD1 H 1 7.34 . . 1 . . . . . . . . 5317 1 564 . 1 1 54 54 TRP HE1 H 1 10.46 . . 1 . . . . . . . . 5317 1 565 . 1 1 54 54 TRP HE3 H 1 7.47 . . 1 . . . . . . . . 5317 1 566 . 1 1 54 54 TRP HZ2 H 1 7.47 . . 1 . . . . . . . . 5317 1 567 . 1 1 54 54 TRP HZ3 H 1 6.77 . . 1 . . . . . . . . 5317 1 568 . 1 1 54 54 TRP HH2 H 1 7.21 . . 1 . . . . . . . . 5317 1 569 . 1 1 54 54 TRP NE1 N 15 128.0 . . 1 . . . . . . . . 5317 1 570 . 1 1 55 55 ARG N N 15 116.3 . . 1 . . . . . . . . 5317 1 571 . 1 1 55 55 ARG H H 1 7.66 . . 1 . . . . . . . . 5317 1 572 . 1 1 55 55 ARG C C 13 177.0 . . 1 . . . . . . . . 5317 1 573 . 1 1 55 55 ARG CA C 13 57.7 . . 1 . . . . . . . . 5317 1 574 . 1 1 55 55 ARG HA H 1 3.73 . . 1 . . . . . . . . 5317 1 575 . 1 1 55 55 ARG CB C 13 27.7 . . 1 . . . . . . . . 5317 1 576 . 1 1 55 55 ARG HB2 H 1 1.93 . . 1 . . . . . . . . 5317 1 577 . 1 1 55 55 ARG HB3 H 1 1.93 . . 1 . . . . . . . . 5317 1 578 . 1 1 55 55 ARG HG2 H 1 1.55 . . 2 . . . . . . . . 5317 1 579 . 1 1 55 55 ARG HG3 H 1 1.76 . . 2 . . . . . . . . 5317 1 580 . 1 1 55 55 ARG HD2 H 1 3.18 . . 1 . . . . . . . . 5317 1 581 . 1 1 55 55 ARG HD3 H 1 3.18 . . 1 . . . . . . . . 5317 1 582 . 1 1 56 56 THR N N 15 115.8 . . 1 . . . . . . . . 5317 1 583 . 1 1 56 56 THR H H 1 7.69 . . 1 . . . . . . . . 5317 1 584 . 1 1 56 56 THR C C 13 173.4 . . 1 . . . . . . . . 5317 1 585 . 1 1 56 56 THR CA C 13 64.2 . . 1 . . . . . . . . 5317 1 586 . 1 1 56 56 THR HA H 1 3.77 . . 1 . . . . . . . . 5317 1 587 . 1 1 56 56 THR CB C 13 66.5 . . 1 . . . . . . . . 5317 1 588 . 1 1 56 56 THR HB H 1 4.17 . . 1 . . . . . . . . 5317 1 589 . 1 1 56 56 THR HG21 H 1 1.08 . . 1 . . . . . . . . 5317 1 590 . 1 1 56 56 THR HG22 H 1 1.08 . . 1 . . . . . . . . 5317 1 591 . 1 1 56 56 THR HG23 H 1 1.08 . . 1 . . . . . . . . 5317 1 592 . 1 1 57 57 MET N N 15 120.7 . . 1 . . . . . . . . 5317 1 593 . 1 1 57 57 MET H H 1 8.30 . . 1 . . . . . . . . 5317 1 594 . 1 1 57 57 MET C C 13 175.9 . . 1 . . . . . . . . 5317 1 595 . 1 1 57 57 MET CA C 13 57.3 . . 1 . . . . . . . . 5317 1 596 . 1 1 57 57 MET HA H 1 3.66 . . 1 . . . . . . . . 5317 1 597 . 1 1 57 57 MET CB C 13 30.9 . . 1 . . . . . . . . 5317 1 598 . 1 1 57 57 MET HB2 H 1 1.75 . . 1 . . . . . . . . 5317 1 599 . 1 1 57 57 MET HB3 H 1 1.75 . . 1 . . . . . . . . 5317 1 600 . 1 1 57 57 MET HG2 H 1 2.07 . . 2 . . . . . . . . 5317 1 601 . 1 1 57 57 MET HG3 H 1 2.38 . . 2 . . . . . . . . 5317 1 602 . 1 1 58 58 LYS N N 15 118.3 . . 1 . . . . . . . . 5317 1 603 . 1 1 58 58 LYS H H 1 7.82 . . 1 . . . . . . . . 5317 1 604 . 1 1 58 58 LYS C C 13 176.6 . . 1 . . . . . . . . 5317 1 605 . 1 1 58 58 LYS CA C 13 57.0 . . 1 . . . . . . . . 5317 1 606 . 1 1 58 58 LYS HA H 1 3.60 . . 1 . . . . . . . . 5317 1 607 . 1 1 58 58 LYS CB C 13 29.9 . . 1 . . . . . . . . 5317 1 608 . 1 1 58 58 LYS HB2 H 1 1.43 . . 1 . . . . . . . . 5317 1 609 . 1 1 58 58 LYS HB3 H 1 1.43 . . 1 . . . . . . . . 5317 1 610 . 1 1 58 58 LYS HG2 H 1 0.93 . . 4 . . . . . . . . 5317 1 611 . 1 1 58 58 LYS HG3 H 1 0.93 . . 4 . . . . . . . . 5317 1 612 . 1 1 58 58 LYS HD2 H 1 1.51 . . 4 . . . . . . . . 5317 1 613 . 1 1 58 58 LYS HD3 H 1 1.51 . . 4 . . . . . . . . 5317 1 614 . 1 1 58 58 LYS HE2 H 1 2.80 . . 1 . . . . . . . . 5317 1 615 . 1 1 58 58 LYS HE3 H 1 2.80 . . 1 . . . . . . . . 5317 1 616 . 1 1 59 59 LYS N N 15 119.9 . . 1 . . . . . . . . 5317 1 617 . 1 1 59 59 LYS H H 1 7.59 . . 1 . . . . . . . . 5317 1 618 . 1 1 59 59 LYS C C 13 175.6 . . 1 . . . . . . . . 5317 1 619 . 1 1 59 59 LYS CA C 13 56.2 . . 1 . . . . . . . . 5317 1 620 . 1 1 59 59 LYS HA H 1 4.02 . . 1 . . . . . . . . 5317 1 621 . 1 1 59 59 LYS CB C 13 30.4 . . 1 . . . . . . . . 5317 1 622 . 1 1 59 59 LYS HB2 H 1 1.84 . . 1 . . . . . . . . 5317 1 623 . 1 1 59 59 LYS HB3 H 1 1.84 . . 1 . . . . . . . . 5317 1 624 . 1 1 59 59 LYS HG2 H 1 1.35 . . 4 . . . . . . . . 5317 1 625 . 1 1 59 59 LYS HG3 H 1 1.45 . . 4 . . . . . . . . 5317 1 626 . 1 1 59 59 LYS HD2 H 1 1.56 . . 4 . . . . . . . . 5317 1 627 . 1 1 59 59 LYS HD3 H 1 1.56 . . 4 . . . . . . . . 5317 1 628 . 1 1 59 59 LYS HE2 H 1 2.87 . . 1 . . . . . . . . 5317 1 629 . 1 1 59 59 LYS HE3 H 1 2.87 . . 1 . . . . . . . . 5317 1 630 . 1 1 60 60 LEU N N 15 118.1 . . 1 . . . . . . . . 5317 1 631 . 1 1 60 60 LEU H H 1 7.80 . . 1 . . . . . . . . 5317 1 632 . 1 1 60 60 LEU C C 13 174.1 . . 1 . . . . . . . . 5317 1 633 . 1 1 60 60 LEU CA C 13 56.2 . . 1 . . . . . . . . 5317 1 634 . 1 1 60 60 LEU HA H 1 4.17 . . 1 . . . . . . . . 5317 1 635 . 1 1 60 60 LEU CB C 13 30.4 . . 1 . . . . . . . . 5317 1 636 . 1 1 60 60 LEU HB2 H 1 1.55 . . 1 . . . . . . . . 5317 1 637 . 1 1 60 60 LEU HB3 H 1 1.55 . . 1 . . . . . . . . 5317 1 638 . 1 1 60 60 LEU HG H 1 1.66 . . 1 . . . . . . . . 5317 1 639 . 1 1 60 60 LEU HD11 H 1 0.75 . . 1 . . . . . . . . 5317 1 640 . 1 1 60 60 LEU HD12 H 1 0.75 . . 1 . . . . . . . . 5317 1 641 . 1 1 60 60 LEU HD13 H 1 0.75 . . 1 . . . . . . . . 5317 1 642 . 1 1 60 60 LEU HD21 H 1 0.75 . . 1 . . . . . . . . 5317 1 643 . 1 1 60 60 LEU HD22 H 1 0.75 . . 1 . . . . . . . . 5317 1 644 . 1 1 60 60 LEU HD23 H 1 0.75 . . 1 . . . . . . . . 5317 1 645 . 1 1 61 61 LYS N N 15 117.2 . . 1 . . . . . . . . 5317 1 646 . 1 1 61 61 LYS H H 1 7.75 . . 1 . . . . . . . . 5317 1 647 . 1 1 61 61 LYS C C 13 174.2 . . 1 . . . . . . . . 5317 1 648 . 1 1 61 61 LYS CA C 13 55.0 . . 1 . . . . . . . . 5317 1 649 . 1 1 61 61 LYS HA H 1 4.01 . . 1 . . . . . . . . 5317 1 650 . 1 1 61 61 LYS CB C 13 28.5 . . 1 . . . . . . . . 5317 1 651 . 1 1 61 61 LYS HB2 H 1 1.86 . . 1 . . . . . . . . 5317 1 652 . 1 1 61 61 LYS HB3 H 1 1.86 . . 1 . . . . . . . . 5317 1 653 . 1 1 61 61 LYS HG2 H 1 1.30 . . 4 . . . . . . . . 5317 1 654 . 1 1 61 61 LYS HG3 H 1 1.61 . . 4 . . . . . . . . 5317 1 655 . 1 1 61 61 LYS HD2 H 1 1.89 . . 4 . . . . . . . . 5317 1 656 . 1 1 61 61 LYS HD3 H 1 1.89 . . 4 . . . . . . . . 5317 1 657 . 1 1 61 61 LYS HE2 H 1 2.95 . . 1 . . . . . . . . 5317 1 658 . 1 1 61 61 LYS HE3 H 1 2.95 . . 1 . . . . . . . . 5317 1 659 . 1 1 62 62 LEU N N 15 119.3 . . 1 . . . . . . . . 5317 1 660 . 1 1 62 62 LEU H H 1 8.09 . . 1 . . . . . . . . 5317 1 661 . 1 1 62 62 LEU C C 13 175.0 . . 1 . . . . . . . . 5317 1 662 . 1 1 62 62 LEU CA C 13 53.1 . . 1 . . . . . . . . 5317 1 663 . 1 1 62 62 LEU HA H 1 4.34 . . 1 . . . . . . . . 5317 1 664 . 1 1 62 62 LEU CB C 13 40.5 . . 1 . . . . . . . . 5317 1 665 . 1 1 62 62 LEU HB2 H 1 1.51 . . 4 . . . . . . . . 5317 1 666 . 1 1 62 62 LEU HB3 H 1 1.51 . . 4 . . . . . . . . 5317 1 667 . 1 1 62 62 LEU HG H 1 1.51 . . 4 . . . . . . . . 5317 1 668 . 1 1 62 62 LEU HD11 H 1 0.82 . . 1 . . . . . . . . 5317 1 669 . 1 1 62 62 LEU HD12 H 1 0.82 . . 1 . . . . . . . . 5317 1 670 . 1 1 62 62 LEU HD13 H 1 0.82 . . 1 . . . . . . . . 5317 1 671 . 1 1 62 62 LEU HD21 H 1 0.82 . . 1 . . . . . . . . 5317 1 672 . 1 1 62 62 LEU HD22 H 1 0.82 . . 1 . . . . . . . . 5317 1 673 . 1 1 62 62 LEU HD23 H 1 0.82 . . 1 . . . . . . . . 5317 1 674 . 1 1 63 63 ILE N N 15 117.7 . . 1 . . . . . . . . 5317 1 675 . 1 1 63 63 ILE H H 1 7.61 . . 1 . . . . . . . . 5317 1 676 . 1 1 63 63 ILE C C 13 173.6 . . 1 . . . . . . . . 5317 1 677 . 1 1 63 63 ILE CA C 13 59.0 . . 1 . . . . . . . . 5317 1 678 . 1 1 63 63 ILE HA H 1 4.17 . . 1 . . . . . . . . 5317 1 679 . 1 1 63 63 ILE CB C 13 36.9 . . 1 . . . . . . . . 5317 1 680 . 1 1 63 63 ILE HB H 1 1.71 . . 1 . . . . . . . . 5317 1 681 . 1 1 63 63 ILE HG12 H 1 0.90 . . 1 . . . . . . . . 5317 1 682 . 1 1 63 63 ILE HG13 H 1 1.21 . . 1 . . . . . . . . 5317 1 683 . 1 1 63 63 ILE HG21 H 1 0.67 . . 1 . . . . . . . . 5317 1 684 . 1 1 63 63 ILE HG22 H 1 0.67 . . 1 . . . . . . . . 5317 1 685 . 1 1 63 63 ILE HG23 H 1 0.67 . . 1 . . . . . . . . 5317 1 686 . 1 1 63 63 ILE HD11 H 1 0.56 . . 1 . . . . . . . . 5317 1 687 . 1 1 63 63 ILE HD12 H 1 0.56 . . 1 . . . . . . . . 5317 1 688 . 1 1 63 63 ILE HD13 H 1 0.56 . . 1 . . . . . . . . 5317 1 689 . 1 1 64 64 SER N N 15 118.6 . . 1 . . . . . . . . 5317 1 690 . 1 1 64 64 SER H H 1 8.27 . . 1 . . . . . . . . 5317 1 691 . 1 1 64 64 SER C C 13 172.2 . . 1 . . . . . . . . 5317 1 692 . 1 1 64 64 SER CA C 13 56.0 . . 1 . . . . . . . . 5317 1 693 . 1 1 64 64 SER HA H 1 4.46 . . 1 . . . . . . . . 5317 1 694 . 1 1 64 64 SER CB C 13 62.0 . . 1 . . . . . . . . 5317 1 695 . 1 1 64 64 SER HB2 H 1 3.84 . . 1 . . . . . . . . 5317 1 696 . 1 1 64 64 SER HB3 H 1 3.84 . . 1 . . . . . . . . 5317 1 697 . 1 1 65 65 SER N N 15 117.6 . . 1 . . . . . . . . 5317 1 698 . 1 1 65 65 SER H H 1 8.40 . . 1 . . . . . . . . 5317 1 699 . 1 1 65 65 SER C C 13 172.0 . . 1 . . . . . . . . 5317 1 700 . 1 1 65 65 SER CA C 13 56.1 . . 1 . . . . . . . . 5317 1 701 . 1 1 65 65 SER HA H 1 4.45 . . 1 . . . . . . . . 5317 1 702 . 1 1 65 65 SER CB C 13 61.9 . . 1 . . . . . . . . 5317 1 703 . 1 1 65 65 SER HB2 H 1 3.85 . . 1 . . . . . . . . 5317 1 704 . 1 1 65 65 SER HB3 H 1 3.85 . . 1 . . . . . . . . 5317 1 705 . 1 1 66 66 ASP N N 15 121.8 . . 1 . . . . . . . . 5317 1 706 . 1 1 66 66 ASP H H 1 8.38 . . 1 . . . . . . . . 5317 1 707 . 1 1 66 66 ASP C C 13 173.8 . . 1 . . . . . . . . 5317 1 708 . 1 1 66 66 ASP CA C 13 52.5 . . 1 . . . . . . . . 5317 1 709 . 1 1 66 66 ASP HA H 1 4.65 . . 1 . . . . . . . . 5317 1 710 . 1 1 66 66 ASP CB C 13 39.3 . . 1 . . . . . . . . 5317 1 711 . 1 1 66 66 ASP HB2 H 1 2.67 . . 1 . . . . . . . . 5317 1 712 . 1 1 66 66 ASP HB3 H 1 2.67 . . 1 . . . . . . . . 5317 1 713 . 1 1 67 67 SER N N 15 114.8 . . 1 . . . . . . . . 5317 1 714 . 1 1 67 67 SER H H 1 8.12 . . 1 . . . . . . . . 5317 1 715 . 1 1 67 67 SER C C 13 172.0 . . 1 . . . . . . . . 5317 1 716 . 1 1 67 67 SER CA C 13 56.4 . . 1 . . . . . . . . 5317 1 717 . 1 1 67 67 SER HA H 1 4.45 . . 1 . . . . . . . . 5317 1 718 . 1 1 67 67 SER CB C 13 62.0 . . 1 . . . . . . . . 5317 1 719 . 1 1 67 67 SER HB2 H 1 3.85 . . 1 . . . . . . . . 5317 1 720 . 1 1 67 67 SER HB3 H 1 3.85 . . 1 . . . . . . . . 5317 1 721 . 1 1 68 68 GLU N N 15 122.6 . . 1 . . . . . . . . 5317 1 722 . 1 1 68 68 GLU H H 1 8.39 . . 1 . . . . . . . . 5317 1 723 . 1 1 68 68 GLU C C 13 173.0 . . 1 . . . . . . . . 5317 1 724 . 1 1 68 68 GLU CA C 13 54.4 . . 1 . . . . . . . . 5317 1 725 . 1 1 68 68 GLU HA H 1 4.32 . . 1 . . . . . . . . 5317 1 726 . 1 1 68 68 GLU CB C 13 28.6 . . 1 . . . . . . . . 5317 1 727 . 1 1 68 68 GLU HB2 H 1 1.88 . . 2 . . . . . . . . 5317 1 728 . 1 1 68 68 GLU HB3 H 1 2.09 . . 2 . . . . . . . . 5317 1 729 . 1 1 69 69 ASP N N 15 126.2 . . 1 . . . . . . . . 5317 1 730 . 1 1 69 69 ASP H H 1 7.95 . . 1 . . . . . . . . 5317 1 731 . 1 1 69 69 ASP CA C 13 53.9 . . 1 . . . . . . . . 5317 1 732 . 1 1 69 69 ASP HA H 1 4.36 . . 1 . . . . . . . . 5317 1 733 . 1 1 69 69 ASP CB C 13 40.1 . . 1 . . . . . . . . 5317 1 734 . 1 1 69 69 ASP HB2 H 1 2.52 . . 2 . . . . . . . . 5317 1 735 . 1 1 69 69 ASP HB3 H 1 2.64 . . 2 . . . . . . . . 5317 1 stop_ save_