data_4286 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4286 _Entry.Title ; 1H and 15N Chemical Shift Assignments of the Unstructured Yeast Vesicular SNARE Snc1. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-12-18 _Entry.Accession_date 1998-12-18 _Entry.Last_release_date 1999-10-01 _Entry.Original_release_date 1999-10-01 _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 Klaus Fiebig . M. . 4286 2 Elizabeth Pollock . . . 4286 3 Axel Brunger . T. . 4286 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4286 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 92 4286 '1H chemical shifts' 512 4286 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 . . 1999-10-01 1998-12-18 original author . 4286 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4286 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99140290 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Fiebig, K. M., Rice, L. M., Pollock, E., and Brunger, A. T., "Folding Intermediates of SNARE Complex Assembly," Nat. Struct. Biol. 6, 117-123 (1999). ; _Citation.Title 'Folding Intermediates of SNARE Complex Assembly' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full 'Nature Structural Biology' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _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 117 _Citation.Page_last 123 _Citation.Year 1999 _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 Klaus Fiebig . M. . 4286 1 2 Luke Rice . M. . 4286 1 3 Elizabeth Pollock . . . 4286 1 4 Axel Brunger . T. . 4286 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'alpha-helix bundle' 4286 1 'cellular trafficking' 4286 1 'coiled coil' 4286 1 'H1-H2 domain' 4286 1 'membrane fusion' 4286 1 Sec9 4286 1 Snc1 4286 1 Sso1 4286 1 'yeast SNARE' 4286 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_Snc1p _Assembly.Sf_category assembly _Assembly.Sf_framecode Snc1p _Assembly.Entry_ID 4286 _Assembly.ID 1 _Assembly.Name Snc1 _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 . _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 4286 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 Snc1 1 $Snc1 . . . denatured . . . . . 4286 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Snc1 system 4286 1 Snc1p abbreviation 4286 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Membrane fusion protein' 4286 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Snc1 _Entity.Sf_category entity _Entity.Sf_framecode Snc1 _Entity.Entry_ID 4286 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Snc1 _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 ; GSPEFMSSSTPFDPYALSEH DEERPQNVQSKSRTAELQAE IDDTVGIMRDNINKVAERGE RLTSIEDKADNLAVSAQGFK RGANRVRKAMWYKDLKMK ; _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-11-24 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 3B5N . "Structure Of The Yeast Plasma Membrane Snare Complex" . . . . . 61.22 61 100.00 100.00 1.38e-33 . . . . 4286 1 2 no DBJ GAA21395 . "K7_Snc1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 94.90 117 100.00 100.00 6.54e-61 . . . . 4286 1 3 no EMBL CAY77620 . "Snc1p [Saccharomyces cerevisiae EC1118]" . . . . . 94.90 117 100.00 100.00 6.54e-61 . . . . 4286 1 4 no GB AAA35069 . "synaptobrevin [Saccharomyces cerevisiae]" . . . . . 94.90 117 100.00 100.00 6.54e-61 . . . . 4286 1 5 no GB AAC05002 . "Snc1p: Vesicle-associated membrane protein,synaptobrevin homolog [Saccharomyces cerevisiae]" . . . . . 94.90 117 100.00 100.00 6.54e-61 . . . . 4286 1 6 no GB AHY74337 . "Snc1p [Saccharomyces cerevisiae YJM993]" . . . . . 94.90 117 100.00 100.00 6.54e-61 . . . . 4286 1 7 no GB AJO92283 . "Snc1p [Saccharomyces cerevisiae YJM189]" . . . . . 94.90 117 100.00 100.00 6.54e-61 . . . . 4286 1 8 no GB AJO92361 . "Snc1p [Saccharomyces cerevisiae YJM193]" . . . . . 94.90 117 100.00 100.00 6.54e-61 . . . . 4286 1 9 no REF NP_009372 . "SNAP receptor SNC1 [Saccharomyces cerevisiae S288c]" . . . . . 94.90 117 100.00 100.00 6.54e-61 . . . . 4286 1 10 no SP P31109 . "RecName: Full=Synaptobrevin homolog 1" . . . . . 94.90 117 100.00 100.00 6.54e-61 . . . . 4286 1 11 no TPG DAA06958 . "TPA: SNAP receptor SNC1 [Saccharomyces cerevisiae S288c]" . . . . . 94.90 117 100.00 100.00 6.54e-61 . . . . 4286 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Snc1 abbreviation 4286 1 Snc1 common 4286 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 -3 GLY . 4286 1 2 -2 SER . 4286 1 3 -1 PRO . 4286 1 4 0 GLU . 4286 1 5 1 PHE . 4286 1 6 2 MET . 4286 1 7 3 SER . 4286 1 8 4 SER . 4286 1 9 5 SER . 4286 1 10 6 THR . 4286 1 11 7 PRO . 4286 1 12 8 PHE . 4286 1 13 9 ASP . 4286 1 14 10 PRO . 4286 1 15 11 TYR . 4286 1 16 12 ALA . 4286 1 17 13 LEU . 4286 1 18 14 SER . 4286 1 19 15 GLU . 4286 1 20 16 HIS . 4286 1 21 17 ASP . 4286 1 22 18 GLU . 4286 1 23 19 GLU . 4286 1 24 20 ARG . 4286 1 25 21 PRO . 4286 1 26 22 GLN . 4286 1 27 23 ASN . 4286 1 28 24 VAL . 4286 1 29 25 GLN . 4286 1 30 26 SER . 4286 1 31 27 LYS . 4286 1 32 28 SER . 4286 1 33 29 ARG . 4286 1 34 30 THR . 4286 1 35 31 ALA . 4286 1 36 32 GLU . 4286 1 37 33 LEU . 4286 1 38 34 GLN . 4286 1 39 35 ALA . 4286 1 40 36 GLU . 4286 1 41 37 ILE . 4286 1 42 38 ASP . 4286 1 43 39 ASP . 4286 1 44 40 THR . 4286 1 45 41 VAL . 4286 1 46 42 GLY . 4286 1 47 43 ILE . 4286 1 48 44 MET . 4286 1 49 45 ARG . 4286 1 50 46 ASP . 4286 1 51 47 ASN . 4286 1 52 48 ILE . 4286 1 53 49 ASN . 4286 1 54 50 LYS . 4286 1 55 51 VAL . 4286 1 56 52 ALA . 4286 1 57 53 GLU . 4286 1 58 54 ARG . 4286 1 59 55 GLY . 4286 1 60 56 GLU . 4286 1 61 57 ARG . 4286 1 62 58 LEU . 4286 1 63 59 THR . 4286 1 64 60 SER . 4286 1 65 61 ILE . 4286 1 66 62 GLU . 4286 1 67 63 ASP . 4286 1 68 64 LYS . 4286 1 69 65 ALA . 4286 1 70 66 ASP . 4286 1 71 67 ASN . 4286 1 72 68 LEU . 4286 1 73 69 ALA . 4286 1 74 70 VAL . 4286 1 75 71 SER . 4286 1 76 72 ALA . 4286 1 77 73 GLN . 4286 1 78 74 GLY . 4286 1 79 75 PHE . 4286 1 80 76 LYS . 4286 1 81 77 ARG . 4286 1 82 78 GLY . 4286 1 83 79 ALA . 4286 1 84 80 ASN . 4286 1 85 81 ARG . 4286 1 86 82 VAL . 4286 1 87 83 ARG . 4286 1 88 84 LYS . 4286 1 89 85 ALA . 4286 1 90 86 MET . 4286 1 91 87 TRP . 4286 1 92 88 TYR . 4286 1 93 89 LYS . 4286 1 94 90 ASP . 4286 1 95 91 LEU . 4286 1 96 92 LYS . 4286 1 97 93 MET . 4286 1 98 94 LYS . 4286 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4286 1 . SER 2 2 4286 1 . PRO 3 3 4286 1 . GLU 4 4 4286 1 . PHE 5 5 4286 1 . MET 6 6 4286 1 . SER 7 7 4286 1 . SER 8 8 4286 1 . SER 9 9 4286 1 . THR 10 10 4286 1 . PRO 11 11 4286 1 . PHE 12 12 4286 1 . ASP 13 13 4286 1 . PRO 14 14 4286 1 . TYR 15 15 4286 1 . ALA 16 16 4286 1 . LEU 17 17 4286 1 . SER 18 18 4286 1 . GLU 19 19 4286 1 . HIS 20 20 4286 1 . ASP 21 21 4286 1 . GLU 22 22 4286 1 . GLU 23 23 4286 1 . ARG 24 24 4286 1 . PRO 25 25 4286 1 . GLN 26 26 4286 1 . ASN 27 27 4286 1 . VAL 28 28 4286 1 . GLN 29 29 4286 1 . SER 30 30 4286 1 . LYS 31 31 4286 1 . SER 32 32 4286 1 . ARG 33 33 4286 1 . THR 34 34 4286 1 . ALA 35 35 4286 1 . GLU 36 36 4286 1 . LEU 37 37 4286 1 . GLN 38 38 4286 1 . ALA 39 39 4286 1 . GLU 40 40 4286 1 . ILE 41 41 4286 1 . ASP 42 42 4286 1 . ASP 43 43 4286 1 . THR 44 44 4286 1 . VAL 45 45 4286 1 . GLY 46 46 4286 1 . ILE 47 47 4286 1 . MET 48 48 4286 1 . ARG 49 49 4286 1 . ASP 50 50 4286 1 . ASN 51 51 4286 1 . ILE 52 52 4286 1 . ASN 53 53 4286 1 . LYS 54 54 4286 1 . VAL 55 55 4286 1 . ALA 56 56 4286 1 . GLU 57 57 4286 1 . ARG 58 58 4286 1 . GLY 59 59 4286 1 . GLU 60 60 4286 1 . ARG 61 61 4286 1 . LEU 62 62 4286 1 . THR 63 63 4286 1 . SER 64 64 4286 1 . ILE 65 65 4286 1 . GLU 66 66 4286 1 . ASP 67 67 4286 1 . LYS 68 68 4286 1 . ALA 69 69 4286 1 . ASP 70 70 4286 1 . ASN 71 71 4286 1 . LEU 72 72 4286 1 . ALA 73 73 4286 1 . VAL 74 74 4286 1 . SER 75 75 4286 1 . ALA 76 76 4286 1 . GLN 77 77 4286 1 . GLY 78 78 4286 1 . PHE 79 79 4286 1 . LYS 80 80 4286 1 . ARG 81 81 4286 1 . GLY 82 82 4286 1 . ALA 83 83 4286 1 . ASN 84 84 4286 1 . ARG 85 85 4286 1 . VAL 86 86 4286 1 . ARG 87 87 4286 1 . LYS 88 88 4286 1 . ALA 89 89 4286 1 . MET 90 90 4286 1 . TRP 91 91 4286 1 . TYR 92 92 4286 1 . LYS 93 93 4286 1 . ASP 94 94 4286 1 . LEU 95 95 4286 1 . LYS 96 96 4286 1 . MET 97 97 4286 1 . LYS 98 98 4286 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 4286 _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 $Snc1 . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 4286 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 4286 _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 $Snc1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4286 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4286 _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 Snc1 '[U-99% 15N]' . . 1 $Snc1 . . 1.2 0.5 1.5 mM . . . . 4286 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4286 _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 'ionic strength' 220 . n/a 4286 1 pH 4.5 0.2 n/a 4286 1 temperature 288 1 K 4286 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4286 _Software.ID 1 _Software.Name FELIX _Software.Version 95 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID transformation 4286 1 stop_ save_ save_software_two _Software.Sf_category software _Software.Sf_framecode software_two _Software.Entry_ID 4286 _Software.ID 2 _Software.Name XEasy _Software.Version 1.3.11 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Assignment 4286 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4286 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model . _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 4286 _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_one Varian . . 600 . . . 4286 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 4286 _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 1H-15N-HSQC . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4286 1 2 1H-15N-NOESY-HSQC . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4286 1 3 1H-15N-TOCSY-HSQC . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . 1 $NMR_spectrometer_one . . . . . . . . . . . . . . . . 4286 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 4286 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H-15N-HSQC _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _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 4286 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 1H-15N-NOESY-HSQC _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _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 4286 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 1H-15N-TOCSY-HSQC _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_one _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 4286 _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 . . . 1 $entry_citation . . 1 $entry_citation 4286 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4286 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4286 _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 _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_one . 4286 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 2 2 SER N N 15 117.492 0.05 . 1 . . . . . . . . 4286 1 2 . 1 1 2 2 SER H H 1 8.770 0.02 . 1 . . . . . . . . 4286 1 3 . 1 1 2 2 SER HA H 1 4.891 0.02 . 1 . . . . . . . . 4286 1 4 . 1 1 2 2 SER HB2 H 1 3.974 0.02 . 1 . . . . . . . . 4286 1 5 . 1 1 2 2 SER HB3 H 1 3.974 0.02 . 1 . . . . . . . . 4286 1 6 . 1 1 4 4 GLU N N 15 120.838 0.05 . 1 . . . . . . . . 4286 1 7 . 1 1 4 4 GLU H H 1 8.529 0.02 . 1 . . . . . . . . 4286 1 8 . 1 1 4 4 GLU HA H 1 4.509 0.02 . 1 . . . . . . . . 4286 1 9 . 1 1 4 4 GLU HB2 H 1 1.875 0.02 . 2 . . . . . . . . 4286 1 10 . 1 1 4 4 GLU HB3 H 1 1.951 0.02 . 2 . . . . . . . . 4286 1 11 . 1 1 5 5 PHE N N 15 120.514 0.05 . 1 . . . . . . . . 4286 1 12 . 1 1 5 5 PHE H H 1 8.208 0.02 . 1 . . . . . . . . 4286 1 13 . 1 1 5 5 PHE HA H 1 4.279 0.02 . 1 . . . . . . . . 4286 1 14 . 1 1 5 5 PHE HB2 H 1 3.128 0.02 . 2 . . . . . . . . 4286 1 15 . 1 1 5 5 PHE HB3 H 1 3.230 0.02 . 2 . . . . . . . . 4286 1 16 . 1 1 6 6 MET N N 15 122.279 0.05 . 1 . . . . . . . . 4286 1 17 . 1 1 6 6 MET H H 1 8.277 0.02 . 1 . . . . . . . . 4286 1 18 . 1 1 6 6 MET HA H 1 4.719 0.02 . 1 . . . . . . . . 4286 1 19 . 1 1 6 6 MET HB2 H 1 2.028 0.02 . 1 . . . . . . . . 4286 1 20 . 1 1 6 6 MET HB3 H 1 2.028 0.02 . 1 . . . . . . . . 4286 1 21 . 1 1 7 7 SER N N 15 117.497 0.05 . 1 . . . . . . . . 4286 1 22 . 1 1 7 7 SER H H 1 8.417 0.02 . 1 . . . . . . . . 4286 1 23 . 1 1 7 7 SER HA H 1 4.441 0.02 . 1 . . . . . . . . 4286 1 24 . 1 1 7 7 SER HB2 H 1 3.974 0.02 . 1 . . . . . . . . 4286 1 25 . 1 1 7 7 SER HB3 H 1 3.974 0.02 . 1 . . . . . . . . 4286 1 26 . 1 1 8 8 SER N N 15 117.805 0.05 . 1 . . . . . . . . 4286 1 27 . 1 1 8 8 SER H H 1 8.429 0.02 . 1 . . . . . . . . 4286 1 28 . 1 1 8 8 SER HA H 1 4.593 0.02 . 1 . . . . . . . . 4286 1 29 . 1 1 8 8 SER HB2 H 1 3.974 0.02 . 1 . . . . . . . . 4286 1 30 . 1 1 8 8 SER HB3 H 1 3.974 0.02 . 1 . . . . . . . . 4286 1 31 . 1 1 9 9 SER N N 15 117.316 0.05 . 1 . . . . . . . . 4286 1 32 . 1 1 9 9 SER H H 1 8.381 0.02 . 1 . . . . . . . . 4286 1 33 . 1 1 9 9 SER HA H 1 4.555 0.02 . 1 . . . . . . . . 4286 1 34 . 1 1 9 9 SER HB2 H 1 3.986 0.02 . 1 . . . . . . . . 4286 1 35 . 1 1 9 9 SER HB3 H 1 3.986 0.02 . 1 . . . . . . . . 4286 1 36 . 1 1 10 10 THR N N 15 118.260 0.05 . 1 . . . . . . . . 4286 1 37 . 1 1 10 10 THR H H 1 8.234 0.02 . 1 . . . . . . . . 4286 1 38 . 1 1 10 10 THR HA H 1 4.643 0.02 . 1 . . . . . . . . 4286 1 39 . 1 1 10 10 THR HB H 1 4.239 0.02 . 1 . . . . . . . . 4286 1 40 . 1 1 10 10 THR HG21 H 1 1.321 0.02 . 2 . . . . . . . . 4286 1 41 . 1 1 10 10 THR HG22 H 1 1.321 0.02 . 2 . . . . . . . . 4286 1 42 . 1 1 10 10 THR HG23 H 1 1.321 0.02 . 2 . . . . . . . . 4286 1 43 . 1 1 12 12 PHE N N 15 121.173 0.05 . 1 . . . . . . . . 4286 1 44 . 1 1 12 12 PHE H H 1 8.328 0.02 . 1 . . . . . . . . 4286 1 45 . 1 1 12 12 PHE HA H 1 4.479 0.02 . 1 . . . . . . . . 4286 1 46 . 1 1 12 12 PHE HB2 H 1 3.076 0.02 . 2 . . . . . . . . 4286 1 47 . 1 1 12 12 PHE HB3 H 1 3.178 0.02 . 2 . . . . . . . . 4286 1 48 . 1 1 12 12 PHE HD1 H 1 7.283 0.02 . 1 . . . . . . . . 4286 1 49 . 1 1 12 12 PHE HD2 H 1 7.283 0.02 . 1 . . . . . . . . 4286 1 50 . 1 1 13 13 ASP N N 15 124.591 0.05 . 1 . . . . . . . . 4286 1 51 . 1 1 13 13 ASP H H 1 8.186 0.02 . 1 . . . . . . . . 4286 1 52 . 1 1 13 13 ASP HA H 1 4.934 0.02 . 1 . . . . . . . . 4286 1 53 . 1 1 13 13 ASP HB2 H 1 2.622 0.02 . 2 . . . . . . . . 4286 1 54 . 1 1 13 13 ASP HB3 H 1 2.862 0.02 . 2 . . . . . . . . 4286 1 55 . 1 1 15 15 TYR N N 15 118.285 0.05 . 1 . . . . . . . . 4286 1 56 . 1 1 15 15 TYR H H 1 8.101 0.02 . 1 . . . . . . . . 4286 1 57 . 1 1 15 15 TYR HA H 1 4.605 0.02 . 1 . . . . . . . . 4286 1 58 . 1 1 15 15 TYR HB2 H 1 2.989 0.02 . 2 . . . . . . . . 4286 1 59 . 1 1 15 15 TYR HB3 H 1 3.279 0.02 . 2 . . . . . . . . 4286 1 60 . 1 1 15 15 TYR HE1 H 1 7.233 0.02 . 1 . . . . . . . . 4286 1 61 . 1 1 15 15 TYR HE2 H 1 7.233 0.02 . 1 . . . . . . . . 4286 1 62 . 1 1 15 15 TYR HD1 H 1 7.587 0.02 . 1 . . . . . . . . 4286 1 63 . 1 1 15 15 TYR HD2 H 1 7.587 0.02 . 1 . . . . . . . . 4286 1 64 . 1 1 16 16 ALA N N 15 123.736 0.05 . 1 . . . . . . . . 4286 1 65 . 1 1 16 16 ALA H H 1 7.559 0.02 . 1 . . . . . . . . 4286 1 66 . 1 1 16 16 ALA HA H 1 4.315 0.02 . 1 . . . . . . . . 4286 1 67 . 1 1 16 16 ALA HB1 H 1 1.485 0.02 . 1 . . . . . . . . 4286 1 68 . 1 1 16 16 ALA HB2 H 1 1.485 0.02 . 1 . . . . . . . . 4286 1 69 . 1 1 16 16 ALA HB3 H 1 1.485 0.02 . 1 . . . . . . . . 4286 1 70 . 1 1 17 17 LEU N N 15 120.402 0.05 . 1 . . . . . . . . 4286 1 71 . 1 1 17 17 LEU H H 1 8.157 0.02 . 1 . . . . . . . . 4286 1 72 . 1 1 17 17 LEU HA H 1 4.403 0.02 . 1 . . . . . . . . 4286 1 73 . 1 1 17 17 LEU HB2 H 1 1.738 0.02 . 1 . . . . . . . . 4286 1 74 . 1 1 17 17 LEU HB3 H 1 1.738 0.02 . 1 . . . . . . . . 4286 1 75 . 1 1 17 17 LEU HD11 H 1 1.472 0.02 . 1 . . . . . . . . 4286 1 76 . 1 1 17 17 LEU HD12 H 1 1.472 0.02 . 1 . . . . . . . . 4286 1 77 . 1 1 17 17 LEU HD13 H 1 1.472 0.02 . 1 . . . . . . . . 4286 1 78 . 1 1 17 17 LEU HD21 H 1 1.472 0.02 . 1 . . . . . . . . 4286 1 79 . 1 1 17 17 LEU HD22 H 1 1.472 0.02 . 1 . . . . . . . . 4286 1 80 . 1 1 17 17 LEU HD23 H 1 1.472 0.02 . 1 . . . . . . . . 4286 1 81 . 1 1 18 18 SER N N 15 116.030 0.05 . 1 . . . . . . . . 4286 1 82 . 1 1 18 18 SER H H 1 8.260 0.02 . 1 . . . . . . . . 4286 1 83 . 1 1 18 18 SER HA H 1 4.530 0.02 . 1 . . . . . . . . 4286 1 84 . 1 1 18 18 SER HB2 H 1 3.948 0.02 . 1 . . . . . . . . 4286 1 85 . 1 1 18 18 SER HB3 H 1 3.948 0.02 . 1 . . . . . . . . 4286 1 86 . 1 1 19 19 GLU N N 15 122.146 0.05 . 1 . . . . . . . . 4286 1 87 . 1 1 19 19 GLU H H 1 8.373 0.02 . 1 . . . . . . . . 4286 1 88 . 1 1 19 19 GLU HA H 1 4.353 0.02 . 1 . . . . . . . . 4286 1 89 . 1 1 19 19 GLU HB2 H 1 2.003 0.02 . 2 . . . . . . . . 4286 1 90 . 1 1 19 19 GLU HB3 H 1 2.079 0.02 . 2 . . . . . . . . 4286 1 91 . 1 1 19 19 GLU HG2 H 1 2.369 0.02 . 1 . . . . . . . . 4286 1 92 . 1 1 19 19 GLU HG3 H 1 2.369 0.02 . 1 . . . . . . . . 4286 1 93 . 1 1 20 20 HIS N N 15 118.769 0.05 . 1 . . . . . . . . 4286 1 94 . 1 1 20 20 HIS H H 1 8.508 0.02 . 1 . . . . . . . . 4286 1 95 . 1 1 20 20 HIS HA H 1 4.795 0.02 . 1 . . . . . . . . 4286 1 96 . 1 1 20 20 HIS HB2 H 1 3.254 0.02 . 2 . . . . . . . . 4286 1 97 . 1 1 20 20 HIS HB3 H 1 3.380 0.02 . 2 . . . . . . . . 4286 1 98 . 1 1 21 21 ASP N N 15 121.491 0.05 . 1 . . . . . . . . 4286 1 99 . 1 1 21 21 ASP H H 1 8.472 0.02 . 1 . . . . . . . . 4286 1 100 . 1 1 21 21 ASP HA H 1 4.694 0.02 . 1 . . . . . . . . 4286 1 101 . 1 1 21 21 ASP HB2 H 1 2.774 0.02 . 1 . . . . . . . . 4286 1 102 . 1 1 21 21 ASP HB3 H 1 2.774 0.02 . 1 . . . . . . . . 4286 1 103 . 1 1 22 22 GLU N N 15 121.059 0.05 . 1 . . . . . . . . 4286 1 104 . 1 1 22 22 GLU H H 1 8.545 0.02 . 1 . . . . . . . . 4286 1 105 . 1 1 22 22 GLU HA H 1 4.365 0.02 . 1 . . . . . . . . 4286 1 106 . 1 1 22 22 GLU HB2 H 1 2.054 0.02 . 2 . . . . . . . . 4286 1 107 . 1 1 22 22 GLU HB3 H 1 2.180 0.02 . 2 . . . . . . . . 4286 1 108 . 1 1 22 22 GLU HG2 H 1 2.445 0.02 . 1 . . . . . . . . 4286 1 109 . 1 1 22 22 GLU HG3 H 1 2.445 0.02 . 1 . . . . . . . . 4286 1 110 . 1 1 23 23 GLU N N 15 121.357 0.05 . 1 . . . . . . . . 4286 1 111 . 1 1 23 23 GLU H H 1 8.405 0.02 . 1 . . . . . . . . 4286 1 112 . 1 1 23 23 GLU HA H 1 4.744 0.02 . 1 . . . . . . . . 4286 1 113 . 1 1 23 23 GLU HB2 H 1 2.066 0.02 . 2 . . . . . . . . 4286 1 114 . 1 1 23 23 GLU HB3 H 1 2.154 0.02 . 2 . . . . . . . . 4286 1 115 . 1 1 23 23 GLU HG2 H 1 2.433 0.02 . 1 . . . . . . . . 4286 1 116 . 1 1 23 23 GLU HG3 H 1 2.433 0.02 . 1 . . . . . . . . 4286 1 117 . 1 1 24 24 ARG N N 15 123.150 0.05 . 1 . . . . . . . . 4286 1 118 . 1 1 24 24 ARG H H 1 8.334 0.02 . 1 . . . . . . . . 4286 1 119 . 1 1 24 24 ARG HA H 1 4.391 0.02 . 1 . . . . . . . . 4286 1 120 . 1 1 24 24 ARG HB2 H 1 1.788 0.02 . 2 . . . . . . . . 4286 1 121 . 1 1 24 24 ARG HB3 H 1 1.890 0.02 . 2 . . . . . . . . 4286 1 122 . 1 1 24 24 ARG HG2 H 1 1.472 0.02 . 1 . . . . . . . . 4286 1 123 . 1 1 24 24 ARG HG3 H 1 1.472 0.02 . 1 . . . . . . . . 4286 1 124 . 1 1 26 26 GLN N N 15 120.420 0.05 . 1 . . . . . . . . 4286 1 125 . 1 1 26 26 GLN H H 1 8.649 0.02 . 1 . . . . . . . . 4286 1 126 . 1 1 26 26 GLN HA H 1 4.365 0.02 . 1 . . . . . . . . 4286 1 127 . 1 1 26 26 GLN HB2 H 1 2.028 0.02 . 2 . . . . . . . . 4286 1 128 . 1 1 26 26 GLN HB3 H 1 2.142 0.02 . 2 . . . . . . . . 4286 1 129 . 1 1 26 26 GLN HG2 H 1 2.458 0.02 . 1 . . . . . . . . 4286 1 130 . 1 1 26 26 GLN HG3 H 1 2.458 0.02 . 1 . . . . . . . . 4286 1 131 . 1 1 27 27 ASN N N 15 119.714 0.05 . 1 . . . . . . . . 4286 1 132 . 1 1 27 27 ASN H H 1 8.536 0.02 . 1 . . . . . . . . 4286 1 133 . 1 1 27 27 ASN HA H 1 4.807 0.02 . 1 . . . . . . . . 4286 1 134 . 1 1 27 27 ASN HB2 H 1 2.887 0.02 . 1 . . . . . . . . 4286 1 135 . 1 1 27 27 ASN HB3 H 1 2.887 0.02 . 1 . . . . . . . . 4286 1 136 . 1 1 28 28 VAL N N 15 120.416 0.05 . 1 . . . . . . . . 4286 1 137 . 1 1 28 28 VAL H H 1 8.163 0.02 . 1 . . . . . . . . 4286 1 138 . 1 1 28 28 VAL HA H 1 4.188 0.02 . 1 . . . . . . . . 4286 1 139 . 1 1 28 28 VAL HB H 1 2.180 0.02 . 1 . . . . . . . . 4286 1 140 . 1 1 28 28 VAL HG11 H 1 1.018 0.02 . 1 . . . . . . . . 4286 1 141 . 1 1 28 28 VAL HG12 H 1 1.018 0.02 . 1 . . . . . . . . 4286 1 142 . 1 1 28 28 VAL HG13 H 1 1.018 0.02 . 1 . . . . . . . . 4286 1 143 . 1 1 28 28 VAL HG21 H 1 1.018 0.02 . 1 . . . . . . . . 4286 1 144 . 1 1 28 28 VAL HG22 H 1 1.018 0.02 . 1 . . . . . . . . 4286 1 145 . 1 1 28 28 VAL HG23 H 1 1.018 0.02 . 1 . . . . . . . . 4286 1 146 . 1 1 29 29 GLN N N 15 123.909 0.05 . 1 . . . . . . . . 4286 1 147 . 1 1 29 29 GLN H H 1 8.551 0.02 . 1 . . . . . . . . 4286 1 148 . 1 1 29 29 GLN HA H 1 4.441 0.02 . 1 . . . . . . . . 4286 1 149 . 1 1 29 29 GLN HB2 H 1 2.078 0.02 . 2 . . . . . . . . 4286 1 150 . 1 1 29 29 GLN HB3 H 1 2.180 0.02 . 2 . . . . . . . . 4286 1 151 . 1 1 29 29 GLN HG2 H 1 2.470 0.02 . 1 . . . . . . . . 4286 1 152 . 1 1 29 29 GLN HG3 H 1 2.470 0.02 . 1 . . . . . . . . 4286 1 153 . 1 1 30 30 SER N N 15 117.819 0.05 . 1 . . . . . . . . 4286 1 154 . 1 1 30 30 SER H H 1 8.440 0.02 . 1 . . . . . . . . 4286 1 155 . 1 1 30 30 SER HA H 1 4.567 0.02 . 1 . . . . . . . . 4286 1 156 . 1 1 30 30 SER HB2 H 1 3.986 0.02 . 1 . . . . . . . . 4286 1 157 . 1 1 30 30 SER HB3 H 1 3.986 0.02 . 1 . . . . . . . . 4286 1 158 . 1 1 31 31 LYS N N 15 122.055 0.05 . 1 . . . . . . . . 4286 1 159 . 1 1 31 31 LYS H H 1 8.231 0.02 . 1 . . . . . . . . 4286 1 160 . 1 1 31 31 LYS HA H 1 4.378 0.02 . 1 . . . . . . . . 4286 1 161 . 1 1 31 31 LYS HB2 H 1 1.738 0.02 . 1 . . . . . . . . 4286 1 162 . 1 1 31 31 LYS HB3 H 1 1.738 0.02 . 1 . . . . . . . . 4286 1 163 . 1 1 32 32 SER N N 15 116.747 0.05 . 1 . . . . . . . . 4286 1 164 . 1 1 32 32 SER H H 1 8.368 0.02 . 1 . . . . . . . . 4286 1 165 . 1 1 32 32 SER HA H 1 4.441 0.02 . 1 . . . . . . . . 4286 1 166 . 1 1 32 32 SER HB2 H 1 3.974 0.02 . 1 . . . . . . . . 4286 1 167 . 1 1 32 32 SER HB3 H 1 3.974 0.02 . 1 . . . . . . . . 4286 1 168 . 1 1 33 33 ARG N N 15 123.547 0.05 . 1 . . . . . . . . 4286 1 169 . 1 1 33 33 ARG H H 1 8.496 0.02 . 1 . . . . . . . . 4286 1 170 . 1 1 33 33 ARG HA H 1 4.492 0.02 . 1 . . . . . . . . 4286 1 171 . 1 1 33 33 ARG HB2 H 1 1.889 0.02 . 2 . . . . . . . . 4286 1 172 . 1 1 33 33 ARG HB3 H 1 1.991 0.02 . 2 . . . . . . . . 4286 1 173 . 1 1 33 33 ARG HG2 H 1 1.750 0.02 . 1 . . . . . . . . 4286 1 174 . 1 1 33 33 ARG HG3 H 1 1.750 0.02 . 1 . . . . . . . . 4286 1 175 . 1 1 34 34 THR N N 15 115.049 0.05 . 1 . . . . . . . . 4286 1 176 . 1 1 34 34 THR H H 1 8.189 0.02 . 1 . . . . . . . . 4286 1 177 . 1 1 34 34 THR HA H 1 4.360 0.02 . 4 . . . . . . . . 4286 1 178 . 1 1 34 34 THR HB H 1 4.346 0.02 . 4 . . . . . . . . 4286 1 179 . 1 1 34 34 THR HG21 H 1 1.321 0.02 . 2 . . . . . . . . 4286 1 180 . 1 1 34 34 THR HG22 H 1 1.321 0.02 . 2 . . . . . . . . 4286 1 181 . 1 1 34 34 THR HG23 H 1 1.321 0.02 . 2 . . . . . . . . 4286 1 182 . 1 1 35 35 ALA N N 15 125.788 0.05 . 1 . . . . . . . . 4286 1 183 . 1 1 35 35 ALA H H 1 8.334 0.02 . 1 . . . . . . . . 4286 1 184 . 1 1 35 35 ALA HA H 1 4.340 0.02 . 1 . . . . . . . . 4286 1 185 . 1 1 35 35 ALA HB1 H 1 1.510 0.02 . 1 . . . . . . . . 4286 1 186 . 1 1 35 35 ALA HB2 H 1 1.510 0.02 . 1 . . . . . . . . 4286 1 187 . 1 1 35 35 ALA HB3 H 1 1.510 0.02 . 1 . . . . . . . . 4286 1 188 . 1 1 36 36 GLU N N 15 119.801 0.05 . 1 . . . . . . . . 4286 1 189 . 1 1 36 36 GLU H H 1 8.348 0.02 . 1 . . . . . . . . 4286 1 190 . 1 1 36 36 GLU HA H 1 4.340 0.02 . 1 . . . . . . . . 4286 1 191 . 1 1 36 36 GLU HB2 H 1 2.117 0.02 . 1 . . . . . . . . 4286 1 192 . 1 1 36 36 GLU HB3 H 1 2.117 0.02 . 1 . . . . . . . . 4286 1 193 . 1 1 36 36 GLU HG2 H 1 2.445 0.02 . 1 . . . . . . . . 4286 1 194 . 1 1 36 36 GLU HG3 H 1 2.445 0.02 . 1 . . . . . . . . 4286 1 195 . 1 1 37 37 LEU N N 15 122.494 0.05 . 1 . . . . . . . . 4286 1 196 . 1 1 37 37 LEU H H 1 8.220 0.02 . 1 . . . . . . . . 4286 1 197 . 1 1 37 37 LEU HA H 1 4.327 0.02 . 1 . . . . . . . . 4286 1 198 . 1 1 37 37 LEU HB2 H 1 1.750 0.02 . 1 . . . . . . . . 4286 1 199 . 1 1 37 37 LEU HB3 H 1 1.750 0.02 . 1 . . . . . . . . 4286 1 200 . 1 1 37 37 LEU HD11 H 1 0.980 0.02 . 1 . . . . . . . . 4286 1 201 . 1 1 37 37 LEU HD12 H 1 0.980 0.02 . 1 . . . . . . . . 4286 1 202 . 1 1 37 37 LEU HD13 H 1 0.980 0.02 . 1 . . . . . . . . 4286 1 203 . 1 1 37 37 LEU HD21 H 1 0.980 0.02 . 1 . . . . . . . . 4286 1 204 . 1 1 37 37 LEU HD22 H 1 0.980 0.02 . 1 . . . . . . . . 4286 1 205 . 1 1 37 37 LEU HD23 H 1 0.980 0.02 . 1 . . . . . . . . 4286 1 206 . 1 1 38 38 GLN N N 15 120.681 0.05 . 1 . . . . . . . . 4286 1 207 . 1 1 38 38 GLN H H 1 8.342 0.02 . 1 . . . . . . . . 4286 1 208 . 1 1 38 38 GLN HA H 1 4.340 0.02 . 1 . . . . . . . . 4286 1 209 . 1 1 38 38 GLN HB2 H 1 2.142 0.02 . 1 . . . . . . . . 4286 1 210 . 1 1 38 38 GLN HB3 H 1 2.142 0.02 . 1 . . . . . . . . 4286 1 211 . 1 1 38 38 GLN HG2 H 1 2.458 0.02 . 1 . . . . . . . . 4286 1 212 . 1 1 38 38 GLN HG3 H 1 2.458 0.02 . 1 . . . . . . . . 4286 1 213 . 1 1 39 39 ALA N N 15 124.112 0.05 . 1 . . . . . . . . 4286 1 214 . 1 1 39 39 ALA H H 1 8.227 0.02 . 1 . . . . . . . . 4286 1 215 . 1 1 39 39 ALA HA H 1 4.315 0.02 . 1 . . . . . . . . 4286 1 216 . 1 1 39 39 ALA HB1 H 1 1.498 0.02 . 1 . . . . . . . . 4286 1 217 . 1 1 39 39 ALA HB2 H 1 1.498 0.02 . 1 . . . . . . . . 4286 1 218 . 1 1 39 39 ALA HB3 H 1 1.498 0.02 . 1 . . . . . . . . 4286 1 219 . 1 1 40 40 GLU N N 15 119.381 0.05 . 1 . . . . . . . . 4286 1 220 . 1 1 40 40 GLU H H 1 8.233 0.02 . 1 . . . . . . . . 4286 1 221 . 1 1 40 40 GLU HA H 1 4.365 0.02 . 1 . . . . . . . . 4286 1 222 . 1 1 40 40 GLU HB2 H 1 2.129 0.02 . 1 . . . . . . . . 4286 1 223 . 1 1 40 40 GLU HB3 H 1 2.129 0.02 . 1 . . . . . . . . 4286 1 224 . 1 1 40 40 GLU HG2 H 1 2.496 0.02 . 1 . . . . . . . . 4286 1 225 . 1 1 40 40 GLU HG3 H 1 2.496 0.02 . 1 . . . . . . . . 4286 1 226 . 1 1 41 41 ILE N N 15 121.783 0.05 . 1 . . . . . . . . 4286 1 227 . 1 1 41 41 ILE H H 1 8.159 0.02 . 1 . . . . . . . . 4286 1 228 . 1 1 41 41 ILE HA H 1 4.176 0.02 . 1 . . . . . . . . 4286 1 229 . 1 1 41 41 ILE HB H 1 1.965 0.02 . 1 . . . . . . . . 4286 1 230 . 1 1 41 41 ILE HG21 H 1 1.258 0.02 . 1 . . . . . . . . 4286 1 231 . 1 1 41 41 ILE HG22 H 1 1.258 0.02 . 1 . . . . . . . . 4286 1 232 . 1 1 41 41 ILE HG23 H 1 1.258 0.02 . 1 . . . . . . . . 4286 1 233 . 1 1 41 41 ILE HG12 H 1 1.586 0.02 . 1 . . . . . . . . 4286 1 234 . 1 1 41 41 ILE HG13 H 1 1.586 0.02 . 1 . . . . . . . . 4286 1 235 . 1 1 41 41 ILE HD11 H 1 0.967 0.02 . 1 . . . . . . . . 4286 1 236 . 1 1 41 41 ILE HD12 H 1 0.967 0.02 . 1 . . . . . . . . 4286 1 237 . 1 1 41 41 ILE HD13 H 1 0.967 0.02 . 1 . . . . . . . . 4286 1 238 . 1 1 42 42 ASP N N 15 123.588 0.05 . 1 . . . . . . . . 4286 1 239 . 1 1 42 42 ASP H H 1 8.471 0.02 . 1 . . . . . . . . 4286 1 240 . 1 1 42 42 ASP HA H 1 4.719 0.02 . 1 . . . . . . . . 4286 1 241 . 1 1 42 42 ASP HB2 H 1 2.749 0.02 . 2 . . . . . . . . 4286 1 242 . 1 1 42 42 ASP HB3 H 1 2.887 0.02 . 2 . . . . . . . . 4286 1 243 . 1 1 43 43 ASP N N 15 118.939 0.05 . 1 . . . . . . . . 4286 1 244 . 1 1 43 43 ASP H H 1 8.343 0.02 . 1 . . . . . . . . 4286 1 245 . 1 1 43 43 ASP HA H 1 4.706 0.02 . 1 . . . . . . . . 4286 1 246 . 1 1 43 43 ASP HB2 H 1 2.862 0.02 . 1 . . . . . . . . 4286 1 247 . 1 1 43 43 ASP HB3 H 1 2.862 0.02 . 1 . . . . . . . . 4286 1 248 . 1 1 44 44 THR N N 15 114.119 0.05 . 1 . . . . . . . . 4286 1 249 . 1 1 44 44 THR H H 1 8.300 0.02 . 1 . . . . . . . . 4286 1 250 . 1 1 44 44 THR HA H 1 4.770 0.02 . 1 . . . . . . . . 4286 1 251 . 1 1 44 44 THR HG21 H 1 1.321 0.02 . 2 . . . . . . . . 4286 1 252 . 1 1 44 44 THR HG22 H 1 1.321 0.02 . 2 . . . . . . . . 4286 1 253 . 1 1 44 44 THR HG23 H 1 1.321 0.02 . 2 . . . . . . . . 4286 1 254 . 1 1 45 45 VAL N N 15 121.799 0.05 . 1 . . . . . . . . 4286 1 255 . 1 1 45 45 VAL H H 1 8.042 0.02 . 1 . . . . . . . . 4286 1 256 . 1 1 45 45 VAL HA H 1 4.163 0.02 . 1 . . . . . . . . 4286 1 257 . 1 1 45 45 VAL HB H 1 2.218 0.02 . 1 . . . . . . . . 4286 1 258 . 1 1 45 45 VAL HG11 H 1 1.056 0.02 . 1 . . . . . . . . 4286 1 259 . 1 1 45 45 VAL HG12 H 1 1.056 0.02 . 1 . . . . . . . . 4286 1 260 . 1 1 45 45 VAL HG13 H 1 1.056 0.02 . 1 . . . . . . . . 4286 1 261 . 1 1 45 45 VAL HG21 H 1 1.056 0.02 . 1 . . . . . . . . 4286 1 262 . 1 1 45 45 VAL HG22 H 1 1.056 0.02 . 1 . . . . . . . . 4286 1 263 . 1 1 45 45 VAL HG23 H 1 1.056 0.02 . 1 . . . . . . . . 4286 1 264 . 1 1 46 46 GLY N N 15 111.766 0.05 . 1 . . . . . . . . 4286 1 265 . 1 1 46 46 GLY H H 1 8.459 0.02 . 1 . . . . . . . . 4286 1 266 . 1 1 46 46 GLY HA2 H 1 4.024 0.02 . 1 . . . . . . . . 4286 1 267 . 1 1 46 46 GLY HA3 H 1 4.024 0.02 . 1 . . . . . . . . 4286 1 268 . 1 1 47 47 ILE N N 15 120.069 0.05 . 1 . . . . . . . . 4286 1 269 . 1 1 47 47 ILE H H 1 7.986 0.02 . 1 . . . . . . . . 4286 1 270 . 1 1 47 47 ILE HA H 1 4.226 0.02 . 1 . . . . . . . . 4286 1 271 . 1 1 47 47 ILE HB H 1 1.965 0.02 . 1 . . . . . . . . 4286 1 272 . 1 1 47 47 ILE HG21 H 1 1.258 0.02 . 1 . . . . . . . . 4286 1 273 . 1 1 47 47 ILE HG22 H 1 1.258 0.02 . 1 . . . . . . . . 4286 1 274 . 1 1 47 47 ILE HG23 H 1 1.258 0.02 . 1 . . . . . . . . 4286 1 275 . 1 1 47 47 ILE HG12 H 1 1.536 0.02 . 1 . . . . . . . . 4286 1 276 . 1 1 47 47 ILE HG13 H 1 1.536 0.02 . 1 . . . . . . . . 4286 1 277 . 1 1 47 47 ILE HD11 H 1 0.992 0.02 . 1 . . . . . . . . 4286 1 278 . 1 1 47 47 ILE HD12 H 1 0.992 0.02 . 1 . . . . . . . . 4286 1 279 . 1 1 47 47 ILE HD13 H 1 0.992 0.02 . 1 . . . . . . . . 4286 1 280 . 1 1 48 48 MET N N 15 123.951 0.05 . 1 . . . . . . . . 4286 1 281 . 1 1 48 48 MET H H 1 8.479 0.02 . 1 . . . . . . . . 4286 1 282 . 1 1 48 48 MET HA H 1 4.580 0.02 . 1 . . . . . . . . 4286 1 283 . 1 1 48 48 MET HB2 H 1 2.142 0.02 . 1 . . . . . . . . 4286 1 284 . 1 1 48 48 MET HB3 H 1 2.142 0.02 . 1 . . . . . . . . 4286 1 285 . 1 1 48 48 MET HG2 H 1 2.635 0.02 . 1 . . . . . . . . 4286 1 286 . 1 1 48 48 MET HG3 H 1 2.635 0.02 . 1 . . . . . . . . 4286 1 287 . 1 1 49 49 ARG N N 15 122.461 0.05 . 1 . . . . . . . . 4286 1 288 . 1 1 49 49 ARG H H 1 8.377 0.02 . 1 . . . . . . . . 4286 1 289 . 1 1 49 49 ARG HA H 1 4.378 0.02 . 1 . . . . . . . . 4286 1 290 . 1 1 49 49 ARG HB2 H 1 1.902 0.02 . 1 . . . . . . . . 4286 1 291 . 1 1 49 49 ARG HB3 H 1 1.902 0.02 . 1 . . . . . . . . 4286 1 292 . 1 1 49 49 ARG HG2 H 1 1.738 0.02 . 1 . . . . . . . . 4286 1 293 . 1 1 49 49 ARG HG3 H 1 1.738 0.02 . 1 . . . . . . . . 4286 1 294 . 1 1 50 50 ASP N N 15 120.551 0.05 . 1 . . . . . . . . 4286 1 295 . 1 1 50 50 ASP H H 1 8.403 0.02 . 1 . . . . . . . . 4286 1 296 . 1 1 50 50 ASP HA H 1 4.681 0.02 . 1 . . . . . . . . 4286 1 297 . 1 1 50 50 ASP HB2 H 1 2.786 0.02 . 1 . . . . . . . . 4286 1 298 . 1 1 50 50 ASP HB3 H 1 2.786 0.02 . 1 . . . . . . . . 4286 1 299 . 1 1 51 51 ASN N N 15 118.889 0.05 . 1 . . . . . . . . 4286 1 300 . 1 1 51 51 ASN H H 1 8.418 0.02 . 1 . . . . . . . . 4286 1 301 . 1 1 51 51 ASN HA H 1 4.770 0.02 . 1 . . . . . . . . 4286 1 302 . 1 1 51 51 ASN HB2 H 1 2.887 0.02 . 1 . . . . . . . . 4286 1 303 . 1 1 51 51 ASN HB3 H 1 2.887 0.02 . 1 . . . . . . . . 4286 1 304 . 1 1 52 52 ILE N N 15 120.605 0.05 . 1 . . . . . . . . 4286 1 305 . 1 1 52 52 ILE H H 1 8.108 0.02 . 1 . . . . . . . . 4286 1 306 . 1 1 52 52 ILE HA H 1 4.188 0.02 . 1 . . . . . . . . 4286 1 307 . 1 1 52 52 ILE HB H 1 2.003 0.02 . 1 . . . . . . . . 4286 1 308 . 1 1 52 52 ILE HG21 H 1 1.270 0.02 . 1 . . . . . . . . 4286 1 309 . 1 1 52 52 ILE HG22 H 1 1.270 0.02 . 1 . . . . . . . . 4286 1 310 . 1 1 52 52 ILE HG23 H 1 1.270 0.02 . 1 . . . . . . . . 4286 1 311 . 1 1 52 52 ILE HG12 H 1 1.536 0.02 . 1 . . . . . . . . 4286 1 312 . 1 1 52 52 ILE HG13 H 1 1.536 0.02 . 1 . . . . . . . . 4286 1 313 . 1 1 52 52 ILE HD11 H 1 0.980 0.02 . 1 . . . . . . . . 4286 1 314 . 1 1 52 52 ILE HD12 H 1 0.980 0.02 . 1 . . . . . . . . 4286 1 315 . 1 1 52 52 ILE HD13 H 1 0.980 0.02 . 1 . . . . . . . . 4286 1 316 . 1 1 53 53 ASN N N 15 121.581 0.05 . 1 . . . . . . . . 4286 1 317 . 1 1 53 53 ASN H H 1 8.497 0.02 . 1 . . . . . . . . 4286 1 318 . 1 1 53 53 ASN HA H 1 4.782 0.02 . 1 . . . . . . . . 4286 1 319 . 1 1 53 53 ASN HB2 H 1 2.875 0.02 . 1 . . . . . . . . 4286 1 320 . 1 1 53 53 ASN HB3 H 1 2.875 0.02 . 1 . . . . . . . . 4286 1 321 . 1 1 54 54 LYS N N 15 121.978 0.05 . 1 . . . . . . . . 4286 1 322 . 1 1 54 54 LYS H H 1 8.221 0.02 . 1 . . . . . . . . 4286 1 323 . 1 1 54 54 LYS HA H 1 4.365 0.02 . 1 . . . . . . . . 4286 1 324 . 1 1 54 54 LYS HB2 H 1 1.889 0.02 . 1 . . . . . . . . 4286 1 325 . 1 1 54 54 LYS HB3 H 1 1.889 0.02 . 1 . . . . . . . . 4286 1 326 . 1 1 54 54 LYS HG2 H 1 1.498 0.02 . 1 . . . . . . . . 4286 1 327 . 1 1 54 54 LYS HG3 H 1 1.498 0.02 . 1 . . . . . . . . 4286 1 328 . 1 1 55 55 VAL N N 15 121.264 0.05 . 1 . . . . . . . . 4286 1 329 . 1 1 55 55 VAL H H 1 8.147 0.02 . 1 . . . . . . . . 4286 1 330 . 1 1 55 55 VAL HA H 1 4.113 0.02 . 1 . . . . . . . . 4286 1 331 . 1 1 55 55 VAL HB H 1 2.167 0.02 . 1 . . . . . . . . 4286 1 332 . 1 1 55 55 VAL HG11 H 1 1.030 0.02 . 1 . . . . . . . . 4286 1 333 . 1 1 55 55 VAL HG12 H 1 1.030 0.02 . 1 . . . . . . . . 4286 1 334 . 1 1 55 55 VAL HG13 H 1 1.030 0.02 . 1 . . . . . . . . 4286 1 335 . 1 1 55 55 VAL HG21 H 1 1.030 0.02 . 1 . . . . . . . . 4286 1 336 . 1 1 55 55 VAL HG22 H 1 1.030 0.02 . 1 . . . . . . . . 4286 1 337 . 1 1 55 55 VAL HG23 H 1 1.030 0.02 . 1 . . . . . . . . 4286 1 338 . 1 1 56 56 ALA N N 15 127.228 0.05 . 1 . . . . . . . . 4286 1 339 . 1 1 56 56 ALA H H 1 8.370 0.02 . 1 . . . . . . . . 4286 1 340 . 1 1 56 56 ALA HA H 1 4.378 0.02 . 1 . . . . . . . . 4286 1 341 . 1 1 56 56 ALA HB1 H 1 1.472 0.02 . 1 . . . . . . . . 4286 1 342 . 1 1 56 56 ALA HB2 H 1 1.472 0.02 . 1 . . . . . . . . 4286 1 343 . 1 1 56 56 ALA HB3 H 1 1.472 0.02 . 1 . . . . . . . . 4286 1 344 . 1 1 57 57 GLU N N 15 120.205 0.05 . 1 . . . . . . . . 4286 1 345 . 1 1 57 57 GLU H H 1 8.368 0.02 . 1 . . . . . . . . 4286 1 346 . 1 1 57 57 GLU HA H 1 4.378 0.02 . 1 . . . . . . . . 4286 1 347 . 1 1 57 57 GLU HB2 H 1 2.053 0.02 . 2 . . . . . . . . 4286 1 348 . 1 1 57 57 GLU HB3 H 1 2.155 0.02 . 2 . . . . . . . . 4286 1 349 . 1 1 57 57 GLU HG2 H 1 2.420 0.02 . 1 . . . . . . . . 4286 1 350 . 1 1 57 57 GLU HG3 H 1 2.420 0.02 . 1 . . . . . . . . 4286 1 351 . 1 1 58 58 ARG N N 15 121.841 0.05 . 1 . . . . . . . . 4286 1 352 . 1 1 58 58 ARG H H 1 8.428 0.02 . 1 . . . . . . . . 4286 1 353 . 1 1 58 58 ARG HA H 1 4.365 0.02 . 1 . . . . . . . . 4286 1 354 . 1 1 58 58 ARG HB2 H 1 1.902 0.02 . 2 . . . . . . . . 4286 1 355 . 1 1 58 58 ARG HB3 H 1 1.990 0.02 . 2 . . . . . . . . 4286 1 356 . 1 1 58 58 ARG HG2 H 1 1.738 0.02 . 1 . . . . . . . . 4286 1 357 . 1 1 58 58 ARG HG3 H 1 1.738 0.02 . 1 . . . . . . . . 4286 1 358 . 1 1 59 59 GLY N N 15 109.769 0.05 . 1 . . . . . . . . 4286 1 359 . 1 1 59 59 GLY H H 1 8.476 0.02 . 1 . . . . . . . . 4286 1 360 . 1 1 59 59 GLY HA2 H 1 4.049 0.02 . 1 . . . . . . . . 4286 1 361 . 1 1 59 59 GLY HA3 H 1 4.049 0.02 . 1 . . . . . . . . 4286 1 362 . 1 1 60 60 GLU N N 15 120.605 0.05 . 1 . . . . . . . . 4286 1 363 . 1 1 60 60 GLU H H 1 8.318 0.02 . 1 . . . . . . . . 4286 1 364 . 1 1 60 60 GLU HA H 1 4.391 0.02 . 1 . . . . . . . . 4286 1 365 . 1 1 60 60 GLU HB2 H 1 2.079 0.02 . 1 . . . . . . . . 4286 1 366 . 1 1 60 60 GLU HB3 H 1 2.079 0.02 . 1 . . . . . . . . 4286 1 367 . 1 1 60 60 GLU HG2 H 1 2.407 0.02 . 1 . . . . . . . . 4286 1 368 . 1 1 60 60 GLU HG3 H 1 2.407 0.02 . 1 . . . . . . . . 4286 1 369 . 1 1 61 61 ARG N N 15 123.836 0.05 . 1 . . . . . . . . 4286 1 370 . 1 1 61 61 ARG H H 1 8.447 0.02 . 1 . . . . . . . . 4286 1 371 . 1 1 61 61 ARG HA H 1 4.252 0.02 . 1 . . . . . . . . 4286 1 372 . 1 1 61 61 ARG HB2 H 1 2.028 0.02 . 1 . . . . . . . . 4286 1 373 . 1 1 61 61 ARG HB3 H 1 2.028 0.02 . 1 . . . . . . . . 4286 1 374 . 1 1 62 62 LEU N N 15 123.756 0.05 . 1 . . . . . . . . 4286 1 375 . 1 1 62 62 LEU H H 1 8.436 0.02 . 1 . . . . . . . . 4286 1 376 . 1 1 62 62 LEU HA H 1 4.416 0.02 . 1 . . . . . . . . 4286 1 377 . 1 1 62 62 LEU HB2 H 1 1.738 0.02 . 1 . . . . . . . . 4286 1 378 . 1 1 62 62 LEU HB3 H 1 1.738 0.02 . 1 . . . . . . . . 4286 1 379 . 1 1 62 62 LEU HD11 H 1 0.992 0.02 . 1 . . . . . . . . 4286 1 380 . 1 1 62 62 LEU HD12 H 1 0.992 0.02 . 1 . . . . . . . . 4286 1 381 . 1 1 62 62 LEU HD13 H 1 0.992 0.02 . 1 . . . . . . . . 4286 1 382 . 1 1 62 62 LEU HD21 H 1 0.992 0.02 . 1 . . . . . . . . 4286 1 383 . 1 1 62 62 LEU HD22 H 1 0.992 0.02 . 1 . . . . . . . . 4286 1 384 . 1 1 62 62 LEU HD23 H 1 0.992 0.02 . 1 . . . . . . . . 4286 1 385 . 1 1 63 63 THR N N 15 114.611 0.05 . 1 . . . . . . . . 4286 1 386 . 1 1 63 63 THR H H 1 8.206 0.02 . 1 . . . . . . . . 4286 1 387 . 1 1 63 63 THR HA H 1 4.504 0.02 . 1 . . . . . . . . 4286 1 388 . 1 1 63 63 THR HB H 1 4.340 0.02 . 1 . . . . . . . . 4286 1 389 . 1 1 63 63 THR HG21 H 1 1.296 0.02 . 2 . . . . . . . . 4286 1 390 . 1 1 63 63 THR HG22 H 1 1.296 0.02 . 2 . . . . . . . . 4286 1 391 . 1 1 63 63 THR HG23 H 1 1.296 0.02 . 2 . . . . . . . . 4286 1 392 . 1 1 64 64 SER N N 15 118.188 0.05 . 1 . . . . . . . . 4286 1 393 . 1 1 64 64 SER H H 1 8.394 0.02 . 1 . . . . . . . . 4286 1 394 . 1 1 64 64 SER HA H 1 4.605 0.02 . 1 . . . . . . . . 4286 1 395 . 1 1 64 64 SER HB2 H 1 3.986 0.02 . 1 . . . . . . . . 4286 1 396 . 1 1 64 64 SER HB3 H 1 3.986 0.02 . 1 . . . . . . . . 4286 1 397 . 1 1 65 65 ILE N N 15 122.400 0.05 . 1 . . . . . . . . 4286 1 398 . 1 1 65 65 ILE H H 1 8.248 0.02 . 1 . . . . . . . . 4286 1 399 . 1 1 65 65 ILE HA H 1 4.252 0.02 . 1 . . . . . . . . 4286 1 400 . 1 1 65 65 ILE HB H 1 1.990 0.02 . 1 . . . . . . . . 4286 1 401 . 1 1 65 65 ILE HG21 H 1 1.296 0.02 . 1 . . . . . . . . 4286 1 402 . 1 1 65 65 ILE HG22 H 1 1.296 0.02 . 1 . . . . . . . . 4286 1 403 . 1 1 65 65 ILE HG23 H 1 1.296 0.02 . 1 . . . . . . . . 4286 1 404 . 1 1 65 65 ILE HG12 H 1 1.561 0.02 . 1 . . . . . . . . 4286 1 405 . 1 1 65 65 ILE HG13 H 1 1.561 0.02 . 1 . . . . . . . . 4286 1 406 . 1 1 65 65 ILE HD11 H 1 1.005 0.02 . 1 . . . . . . . . 4286 1 407 . 1 1 65 65 ILE HD12 H 1 1.005 0.02 . 1 . . . . . . . . 4286 1 408 . 1 1 65 65 ILE HD13 H 1 1.005 0.02 . 1 . . . . . . . . 4286 1 409 . 1 1 66 66 GLU N N 15 123.911 0.05 . 1 . . . . . . . . 4286 1 410 . 1 1 66 66 GLU H H 1 8.457 0.02 . 1 . . . . . . . . 4286 1 411 . 1 1 66 66 GLU HA H 1 4.416 0.02 . 1 . . . . . . . . 4286 1 412 . 1 1 66 66 GLU HB2 H 1 2.104 0.02 . 1 . . . . . . . . 4286 1 413 . 1 1 66 66 GLU HB3 H 1 2.104 0.02 . 1 . . . . . . . . 4286 1 414 . 1 1 66 66 GLU HG2 H 1 2.420 0.02 . 1 . . . . . . . . 4286 1 415 . 1 1 66 66 GLU HG3 H 1 2.420 0.02 . 1 . . . . . . . . 4286 1 416 . 1 1 67 67 ASP N N 15 121.684 0.05 . 1 . . . . . . . . 4286 1 417 . 1 1 67 67 ASP H H 1 8.379 0.02 . 1 . . . . . . . . 4286 1 418 . 1 1 67 67 ASP HA H 1 4.694 0.02 . 1 . . . . . . . . 4286 1 419 . 1 1 67 67 ASP HB2 H 1 2.799 0.02 . 1 . . . . . . . . 4286 1 420 . 1 1 67 67 ASP HB3 H 1 2.799 0.02 . 1 . . . . . . . . 4286 1 421 . 1 1 68 68 LYS N N 15 122.013 0.05 . 1 . . . . . . . . 4286 1 422 . 1 1 68 68 LYS H H 1 8.272 0.02 . 1 . . . . . . . . 4286 1 423 . 1 1 68 68 LYS HA H 1 4.365 0.02 . 1 . . . . . . . . 4286 1 424 . 1 1 68 68 LYS HB2 H 1 1.851 0.02 . 2 . . . . . . . . 4286 1 425 . 1 1 68 68 LYS HB3 H 1 1.953 0.02 . 2 . . . . . . . . 4286 1 426 . 1 1 68 68 LYS HG2 H 1 1.523 0.02 . 1 . . . . . . . . 4286 1 427 . 1 1 68 68 LYS HG3 H 1 1.523 0.02 . 1 . . . . . . . . 4286 1 428 . 1 1 69 69 ALA N N 15 124.569 0.05 . 1 . . . . . . . . 4286 1 429 . 1 1 69 69 ALA H H 1 8.356 0.02 . 1 . . . . . . . . 4286 1 430 . 1 1 69 69 ALA HA H 1 4.353 0.02 . 1 . . . . . . . . 4286 1 431 . 1 1 69 69 ALA HB1 H 1 1.472 0.02 . 1 . . . . . . . . 4286 1 432 . 1 1 69 69 ALA HB2 H 1 1.472 0.02 . 1 . . . . . . . . 4286 1 433 . 1 1 69 69 ALA HB3 H 1 1.472 0.02 . 1 . . . . . . . . 4286 1 434 . 1 1 70 70 ASP N N 15 118.973 0.05 . 1 . . . . . . . . 4286 1 435 . 1 1 70 70 ASP H H 1 8.307 0.02 . 1 . . . . . . . . 4286 1 436 . 1 1 70 70 ASP HA H 1 4.353 0.02 . 1 . . . . . . . . 4286 1 437 . 1 1 70 70 ASP HB2 H 1 2.786 0.02 . 1 . . . . . . . . 4286 1 438 . 1 1 70 70 ASP HB3 H 1 2.786 0.02 . 1 . . . . . . . . 4286 1 439 . 1 1 73 73 ALA N N 15 124.222 0.05 . 1 . . . . . . . . 4286 1 440 . 1 1 73 73 ALA H H 1 8.203 0.02 . 1 . . . . . . . . 4286 1 441 . 1 1 73 73 ALA HA H 1 4.378 0.02 . 1 . . . . . . . . 4286 1 442 . 1 1 73 73 ALA HB1 H 1 1.485 0.02 . 1 . . . . . . . . 4286 1 443 . 1 1 73 73 ALA HB2 H 1 1.485 0.02 . 1 . . . . . . . . 4286 1 444 . 1 1 73 73 ALA HB3 H 1 1.485 0.02 . 1 . . . . . . . . 4286 1 445 . 1 1 74 74 VAL N N 15 118.530 0.05 . 1 . . . . . . . . 4286 1 446 . 1 1 74 74 VAL H H 1 8.041 0.02 . 1 . . . . . . . . 4286 1 447 . 1 1 74 74 VAL HA H 1 4.151 0.02 . 1 . . . . . . . . 4286 1 448 . 1 1 74 74 VAL HB H 1 2.167 0.02 . 1 . . . . . . . . 4286 1 449 . 1 1 74 74 VAL HG11 H 1 1.018 0.02 . 1 . . . . . . . . 4286 1 450 . 1 1 74 74 VAL HG12 H 1 1.018 0.02 . 1 . . . . . . . . 4286 1 451 . 1 1 74 74 VAL HG13 H 1 1.018 0.02 . 1 . . . . . . . . 4286 1 452 . 1 1 74 74 VAL HG21 H 1 1.018 0.02 . 1 . . . . . . . . 4286 1 453 . 1 1 74 74 VAL HG22 H 1 1.018 0.02 . 1 . . . . . . . . 4286 1 454 . 1 1 74 74 VAL HG23 H 1 1.018 0.02 . 1 . . . . . . . . 4286 1 455 . 1 1 75 75 SER N N 15 118.519 0.05 . 1 . . . . . . . . 4286 1 456 . 1 1 75 75 SER H H 1 8.316 0.02 . 1 . . . . . . . . 4286 1 457 . 1 1 75 75 SER HA H 1 4.517 0.02 . 1 . . . . . . . . 4286 1 458 . 1 1 75 75 SER HB2 H 1 3.948 0.02 . 1 . . . . . . . . 4286 1 459 . 1 1 75 75 SER HB3 H 1 3.948 0.02 . 1 . . . . . . . . 4286 1 460 . 1 1 76 76 ALA N N 15 126.059 0.05 . 1 . . . . . . . . 4286 1 461 . 1 1 76 76 ALA H H 1 8.392 0.02 . 1 . . . . . . . . 4286 1 462 . 1 1 76 76 ALA HA H 1 4.403 0.02 . 1 . . . . . . . . 4286 1 463 . 1 1 76 76 ALA HB1 H 1 1.510 0.02 . 1 . . . . . . . . 4286 1 464 . 1 1 76 76 ALA HB2 H 1 1.510 0.02 . 1 . . . . . . . . 4286 1 465 . 1 1 76 76 ALA HB3 H 1 1.510 0.02 . 1 . . . . . . . . 4286 1 466 . 1 1 77 77 GLN N N 15 118.557 0.05 . 1 . . . . . . . . 4286 1 467 . 1 1 77 77 GLN H H 1 8.287 0.02 . 1 . . . . . . . . 4286 1 468 . 1 1 77 77 GLN HA H 1 4.391 0.02 . 1 . . . . . . . . 4286 1 469 . 1 1 77 77 GLN HB2 H 1 2.053 0.02 . 2 . . . . . . . . 4286 1 470 . 1 1 77 77 GLN HB3 H 1 2.167 0.02 . 2 . . . . . . . . 4286 1 471 . 1 1 77 77 GLN HG2 H 1 2.458 0.02 . 1 . . . . . . . . 4286 1 472 . 1 1 77 77 GLN HG3 H 1 2.458 0.02 . 1 . . . . . . . . 4286 1 473 . 1 1 78 78 GLY N N 15 109.272 0.05 . 1 . . . . . . . . 4286 1 474 . 1 1 78 78 GLY H H 1 8.323 0.02 . 1 . . . . . . . . 4286 1 475 . 1 1 78 78 GLY HA2 H 1 3.974 0.02 . 1 . . . . . . . . 4286 1 476 . 1 1 78 78 GLY HA3 H 1 3.974 0.02 . 1 . . . . . . . . 4286 1 477 . 1 1 79 79 PHE N N 15 120.132 0.05 . 1 . . . . . . . . 4286 1 478 . 1 1 79 79 PHE H H 1 8.073 0.02 . 1 . . . . . . . . 4286 1 479 . 1 1 79 79 PHE HA H 1 4.681 0.02 . 1 . . . . . . . . 4286 1 480 . 1 1 79 79 PHE HB2 H 1 3.153 0.02 . 1 . . . . . . . . 4286 1 481 . 1 1 79 79 PHE HB3 H 1 3.153 0.02 . 1 . . . . . . . . 4286 1 482 . 1 1 80 80 LYS N N 15 123.429 0.05 . 1 . . . . . . . . 4286 1 483 . 1 1 80 80 LYS H H 1 8.297 0.02 . 1 . . . . . . . . 4286 1 484 . 1 1 80 80 LYS HA H 1 4.353 0.02 . 1 . . . . . . . . 4286 1 485 . 1 1 80 80 LYS HB2 H 1 1.814 0.02 . 1 . . . . . . . . 4286 1 486 . 1 1 80 80 LYS HB3 H 1 1.814 0.02 . 1 . . . . . . . . 4286 1 487 . 1 1 80 80 LYS HG2 H 1 1.460 0.02 . 1 . . . . . . . . 4286 1 488 . 1 1 80 80 LYS HG3 H 1 1.460 0.02 . 1 . . . . . . . . 4286 1 489 . 1 1 81 81 ARG N N 15 122.604 0.05 . 1 . . . . . . . . 4286 1 490 . 1 1 81 81 ARG H H 1 8.375 0.02 . 1 . . . . . . . . 4286 1 491 . 1 1 81 81 ARG HA H 1 4.567 0.02 . 1 . . . . . . . . 4286 1 492 . 1 1 81 81 ARG HB2 H 1 1.902 0.02 . 1 . . . . . . . . 4286 1 493 . 1 1 81 81 ARG HB3 H 1 1.902 0.02 . 1 . . . . . . . . 4286 1 494 . 1 1 81 81 ARG HG2 H 1 1.750 0.02 . 1 . . . . . . . . 4286 1 495 . 1 1 81 81 ARG HG3 H 1 1.750 0.02 . 1 . . . . . . . . 4286 1 496 . 1 1 82 82 GLY N N 15 110.647 0.05 . 1 . . . . . . . . 4286 1 497 . 1 1 82 82 GLY H H 1 8.532 0.02 . 1 . . . . . . . . 4286 1 498 . 1 1 82 82 GLY HA2 H 1 4.195 0.02 . 1 . . . . . . . . 4286 1 499 . 1 1 82 82 GLY HA3 H 1 4.195 0.02 . 1 . . . . . . . . 4286 1 500 . 1 1 83 83 ALA N N 15 123.868 0.05 . 1 . . . . . . . . 4286 1 501 . 1 1 83 83 ALA H H 1 8.245 0.02 . 1 . . . . . . . . 4286 1 502 . 1 1 83 83 ALA HA H 1 4.378 0.02 . 1 . . . . . . . . 4286 1 503 . 1 1 83 83 ALA HB1 H 1 1.460 0.02 . 1 . . . . . . . . 4286 1 504 . 1 1 83 83 ALA HB2 H 1 1.460 0.02 . 1 . . . . . . . . 4286 1 505 . 1 1 83 83 ALA HB3 H 1 1.460 0.02 . 1 . . . . . . . . 4286 1 506 . 1 1 84 84 ASN N N 15 117.719 0.05 . 1 . . . . . . . . 4286 1 507 . 1 1 84 84 ASN H H 1 8.494 0.02 . 1 . . . . . . . . 4286 1 508 . 1 1 84 84 ASN HA H 1 4.744 0.02 . 1 . . . . . . . . 4286 1 509 . 1 1 84 84 ASN HB2 H 1 2.875 0.02 . 1 . . . . . . . . 4286 1 510 . 1 1 84 84 ASN HB3 H 1 2.875 0.02 . 1 . . . . . . . . 4286 1 511 . 1 1 85 85 ARG N N 15 121.495 0.05 . 1 . . . . . . . . 4286 1 512 . 1 1 85 85 ARG H H 1 8.274 0.02 . 1 . . . . . . . . 4286 1 513 . 1 1 85 85 ARG HA H 1 4.403 0.02 . 1 . . . . . . . . 4286 1 514 . 1 1 85 85 ARG HB2 H 1 1.864 0.02 . 1 . . . . . . . . 4286 1 515 . 1 1 85 85 ARG HB3 H 1 1.864 0.02 . 1 . . . . . . . . 4286 1 516 . 1 1 85 85 ARG HG2 H 1 1.662 0.02 . 1 . . . . . . . . 4286 1 517 . 1 1 85 85 ARG HG3 H 1 1.662 0.02 . 1 . . . . . . . . 4286 1 518 . 1 1 86 86 VAL N N 15 121.452 0.05 . 1 . . . . . . . . 4286 1 519 . 1 1 86 86 VAL H H 1 8.173 0.02 . 1 . . . . . . . . 4286 1 520 . 1 1 86 86 VAL HA H 1 4.125 0.02 . 1 . . . . . . . . 4286 1 521 . 1 1 86 86 VAL HB H 1 2.155 0.02 . 1 . . . . . . . . 4286 1 522 . 1 1 86 86 VAL HG11 H 1 1.030 0.02 . 1 . . . . . . . . 4286 1 523 . 1 1 86 86 VAL HG12 H 1 1.030 0.02 . 1 . . . . . . . . 4286 1 524 . 1 1 86 86 VAL HG13 H 1 1.030 0.02 . 1 . . . . . . . . 4286 1 525 . 1 1 86 86 VAL HG21 H 1 1.030 0.02 . 1 . . . . . . . . 4286 1 526 . 1 1 86 86 VAL HG22 H 1 1.030 0.02 . 1 . . . . . . . . 4286 1 527 . 1 1 86 86 VAL HG23 H 1 1.030 0.02 . 1 . . . . . . . . 4286 1 528 . 1 1 87 87 ARG N N 15 125.294 0.05 . 1 . . . . . . . . 4286 1 529 . 1 1 87 87 ARG H H 1 8.423 0.02 . 1 . . . . . . . . 4286 1 530 . 1 1 87 87 ARG HA H 1 4.403 0.02 . 1 . . . . . . . . 4286 1 531 . 1 1 87 87 ARG HB2 H 1 1.839 0.02 . 1 . . . . . . . . 4286 1 532 . 1 1 87 87 ARG HB3 H 1 1.839 0.02 . 1 . . . . . . . . 4286 1 533 . 1 1 87 87 ARG HG2 H 1 1.662 0.02 . 1 . . . . . . . . 4286 1 534 . 1 1 87 87 ARG HG3 H 1 1.662 0.02 . 1 . . . . . . . . 4286 1 535 . 1 1 88 88 LYS N N 15 122.128 0.05 . 1 . . . . . . . . 4286 1 536 . 1 1 88 88 LYS H H 1 8.461 0.02 . 1 . . . . . . . . 4286 1 537 . 1 1 88 88 LYS HA H 1 4.403 0.02 . 1 . . . . . . . . 4286 1 538 . 1 1 88 88 LYS HB2 H 1 1.889 0.02 . 1 . . . . . . . . 4286 1 539 . 1 1 88 88 LYS HB3 H 1 1.889 0.02 . 1 . . . . . . . . 4286 1 540 . 1 1 88 88 LYS HG2 H 1 1.725 0.02 . 1 . . . . . . . . 4286 1 541 . 1 1 88 88 LYS HG3 H 1 1.725 0.02 . 1 . . . . . . . . 4286 1 542 . 1 1 89 89 ALA N N 15 124.742 0.05 . 1 . . . . . . . . 4286 1 543 . 1 1 89 89 ALA H H 1 8.334 0.02 . 1 . . . . . . . . 4286 1 544 . 1 1 89 89 ALA HA H 1 4.277 0.02 . 1 . . . . . . . . 4286 1 545 . 1 1 89 89 ALA HB1 H 1 1.397 0.02 . 1 . . . . . . . . 4286 1 546 . 1 1 89 89 ALA HB2 H 1 1.397 0.02 . 1 . . . . . . . . 4286 1 547 . 1 1 89 89 ALA HB3 H 1 1.397 0.02 . 1 . . . . . . . . 4286 1 548 . 1 1 90 90 MET N N 15 118.798 0.05 . 1 . . . . . . . . 4286 1 549 . 1 1 90 90 MET H H 1 8.308 0.02 . 1 . . . . . . . . 4286 1 550 . 1 1 90 90 MET HA H 1 4.391 0.02 . 1 . . . . . . . . 4286 1 551 . 1 1 90 90 MET HB2 H 1 1.978 0.02 . 1 . . . . . . . . 4286 1 552 . 1 1 90 90 MET HB3 H 1 1.978 0.02 . 1 . . . . . . . . 4286 1 553 . 1 1 90 90 MET HG2 H 1 2.508 0.02 . 1 . . . . . . . . 4286 1 554 . 1 1 90 90 MET HG3 H 1 2.508 0.02 . 1 . . . . . . . . 4286 1 555 . 1 1 91 91 TRP N N 15 121.181 0.05 . 1 . . . . . . . . 4286 1 556 . 1 1 91 91 TRP H H 1 7.986 0.02 . 1 . . . . . . . . 4286 1 557 . 1 1 91 91 TRP HA H 1 4.681 0.02 . 1 . . . . . . . . 4286 1 558 . 1 1 91 91 TRP HB2 H 1 3.304 0.02 . 1 . . . . . . . . 4286 1 559 . 1 1 91 91 TRP HB3 H 1 3.304 0.02 . 1 . . . . . . . . 4286 1 560 . 1 1 91 91 TRP NE1 N 15 129.809 0.05 . 1 . . . . . . . . 4286 1 561 . 1 1 91 91 TRP HD1 H 1 7.271 0.02 . 1 . . . . . . . . 4286 1 562 . 1 1 91 91 TRP HE1 H 1 10.237 0.02 . 1 . . . . . . . . 4286 1 563 . 1 1 91 91 TRP HZ2 H 1 7.574 0.02 . 1 . . . . . . . . 4286 1 564 . 1 1 92 92 TYR N N 15 120.835 0.05 . 1 . . . . . . . . 4286 1 565 . 1 1 92 92 TYR H H 1 7.695 0.02 . 1 . . . . . . . . 4286 1 566 . 1 1 92 92 TYR HA H 1 4.428 0.02 . 1 . . . . . . . . 4286 1 567 . 1 1 92 92 TYR HB2 H 1 2.875 0.02 . 1 . . . . . . . . 4286 1 568 . 1 1 92 92 TYR HB3 H 1 2.875 0.02 . 1 . . . . . . . . 4286 1 569 . 1 1 92 92 TYR HD1 H 1 7.043 0.02 . 1 . . . . . . . . 4286 1 570 . 1 1 92 92 TYR HD2 H 1 7.043 0.02 . 1 . . . . . . . . 4286 1 571 . 1 1 93 93 LYS N N 15 122.327 0.05 . 1 . . . . . . . . 4286 1 572 . 1 1 93 93 LYS H H 1 7.892 0.02 . 1 . . . . . . . . 4286 1 573 . 1 1 93 93 LYS HA H 1 4.176 0.02 . 1 . . . . . . . . 4286 1 574 . 1 1 93 93 LYS HB2 H 1 1.788 0.02 . 1 . . . . . . . . 4286 1 575 . 1 1 93 93 LYS HB3 H 1 1.788 0.02 . 1 . . . . . . . . 4286 1 576 . 1 1 93 93 LYS HG2 H 1 1.384 0.02 . 1 . . . . . . . . 4286 1 577 . 1 1 93 93 LYS HG3 H 1 1.384 0.02 . 1 . . . . . . . . 4286 1 578 . 1 1 94 94 ASP N N 15 120.656 0.05 . 1 . . . . . . . . 4286 1 579 . 1 1 94 94 ASP H H 1 8.220 0.02 . 1 . . . . . . . . 4286 1 580 . 1 1 94 94 ASP HA H 1 4.668 0.02 . 1 . . . . . . . . 4286 1 581 . 1 1 94 94 ASP HB2 H 1 2.724 0.02 . 2 . . . . . . . . 4286 1 582 . 1 1 94 94 ASP HB3 H 1 2.862 0.02 . 2 . . . . . . . . 4286 1 583 . 1 1 95 95 LEU N N 15 122.870 0.05 . 1 . . . . . . . . 4286 1 584 . 1 1 95 95 LEU H H 1 8.093 0.02 . 1 . . . . . . . . 4286 1 585 . 1 1 95 95 LEU HA H 1 4.340 0.02 . 1 . . . . . . . . 4286 1 586 . 1 1 95 95 LEU HB2 H 1 1.700 0.02 . 1 . . . . . . . . 4286 1 587 . 1 1 95 95 LEU HB3 H 1 1.700 0.02 . 1 . . . . . . . . 4286 1 588 . 1 1 96 96 LYS N N 15 121.523 0.05 . 1 . . . . . . . . 4286 1 589 . 1 1 96 96 LYS H H 1 8.318 0.02 . 1 . . . . . . . . 4286 1 590 . 1 1 96 96 LYS HA H 1 4.340 0.02 . 1 . . . . . . . . 4286 1 591 . 1 1 96 96 LYS HB2 H 1 1.889 0.02 . 1 . . . . . . . . 4286 1 592 . 1 1 96 96 LYS HB3 H 1 1.889 0.02 . 1 . . . . . . . . 4286 1 593 . 1 1 96 96 LYS HG2 H 1 1.510 0.02 . 1 . . . . . . . . 4286 1 594 . 1 1 96 96 LYS HG3 H 1 1.510 0.02 . 1 . . . . . . . . 4286 1 595 . 1 1 97 97 MET N N 15 121.960 0.05 . 1 . . . . . . . . 4286 1 596 . 1 1 97 97 MET H H 1 8.306 0.02 . 1 . . . . . . . . 4286 1 597 . 1 1 97 97 MET HA H 1 4.542 0.02 . 1 . . . . . . . . 4286 1 598 . 1 1 97 97 MET HB2 H 1 2.079 0.02 . 1 . . . . . . . . 4286 1 599 . 1 1 97 97 MET HB3 H 1 2.079 0.02 . 1 . . . . . . . . 4286 1 600 . 1 1 98 98 LYS N N 15 127.389 0.05 . 1 . . . . . . . . 4286 1 601 . 1 1 98 98 LYS H H 1 7.979 0.02 . 1 . . . . . . . . 4286 1 602 . 1 1 98 98 LYS HA H 1 4.542 0.02 . 1 . . . . . . . . 4286 1 603 . 1 1 98 98 LYS HB2 H 1 1.814 0.02 . 1 . . . . . . . . 4286 1 604 . 1 1 98 98 LYS HB3 H 1 1.814 0.02 . 1 . . . . . . . . 4286 1 stop_ save_