data_6640 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6640 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for JHP1348 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-05-18 _Entry.Accession_date 2005-05-18 _Entry.Last_release_date 2005-09-01 _Entry.Original_release_date 2005-09-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Brendan Borin . N. . 6640 2 Andrei Popescu . . . 6640 3 Andrzej Krezel . M. . 6640 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6640 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 438 6640 '15N chemical shifts' 106 6640 '1H chemical shifts' 664 6640 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 . . 2005-09-01 2005-05-18 original author . 6640 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6640 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR Assignment of the Novel Helicobacter pylori Protein JHP1348' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 3 _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 262 _Citation.Page_last 262 _Citation.Year 2005 _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 Brendan Borin . N. . 6640 1 2 Andrei Popescu . . . 6640 1 3 Andrzej Krezel . M. . 6640 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6640 _Assembly.ID 1 _Assembly.Name JHP1348 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 JHP1348 1 $JHP1348 . . yes native no no . . . 6640 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide SING . 1 . 1 CYS 25 25 SG . 1 . 1 CYS 44 44 SG . . . . . . . . . . 6640 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_JHP1348 _Entity.Sf_category entity _Entity.Sf_framecode JHP1348 _Entity.Entry_ID 6640 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name JHP1348 _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 ; MRGSHHHHHHGSVWGKSLPK WAKDCSKEMRIEKTQTKDEK ILVCGMSDILLSDMDYSLSS ARQNALEKVMEAFKGDRIEI KAGELKATFIDTDKVYVLLR ITKKHVALMNE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 2015-01-28 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 GB AAD06925 . "putative [Helicobacter pylori J99]" . . . . . 90.99 113 99.01 99.01 2.16e-65 . . . . 6640 1 2 no GB ADN80557 . "hypothetical protein hp908_1436 [Helicobacter pylori 908]" . . . . . 88.29 113 96.94 98.98 5.71e-62 . . . . 6640 1 3 no GB ADU82305 . "hypothetical protein HPGAM_07660 [Helicobacter pylori Gambia94/24]" . . . . . 88.29 113 96.94 97.96 6.14e-61 . . . . 6640 1 4 no GB ADZ50509 . "hypothetical protein hp2017_1388 [Helicobacter pylori 2017]" . . . . . 88.29 113 96.94 98.98 5.71e-62 . . . . 6640 1 5 no GB ADZ52112 . "hypothetical protein hp2018_1390 [Helicobacter pylori 2018]" . . . . . 88.29 113 96.94 98.98 5.71e-62 . . . . 6640 1 6 no REF NP_224066 . "hypothetical protein jhp1348 [Helicobacter pylori J99]" . . . . . 90.99 113 99.01 99.01 2.16e-65 . . . . 6640 1 7 no REF WP_000824760 . "hypothetical protein [Helicobacter pylori]" . . . . . 90.99 113 97.03 98.02 8.88e-64 . . . . 6640 1 8 no REF WP_000824775 . "hypothetical protein [Helicobacter pylori]" . . . . . 90.99 113 97.03 98.02 6.77e-64 . . . . 6640 1 9 no REF WP_000824792 . "hypothetical protein [Helicobacter pylori]" . . . . . 90.99 113 97.03 98.02 8.50e-64 . . . . 6640 1 10 no REF WP_000824822 . "hypothetical protein [Helicobacter pylori]" . . . . . 90.99 113 99.01 99.01 2.16e-65 . . . . 6640 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 . MET . 6640 1 2 . ARG . 6640 1 3 . GLY . 6640 1 4 . SER . 6640 1 5 . HIS . 6640 1 6 . HIS . 6640 1 7 . HIS . 6640 1 8 . HIS . 6640 1 9 . HIS . 6640 1 10 . HIS . 6640 1 11 . GLY . 6640 1 12 . SER . 6640 1 13 . VAL . 6640 1 14 . TRP . 6640 1 15 . GLY . 6640 1 16 . LYS . 6640 1 17 . SER . 6640 1 18 . LEU . 6640 1 19 . PRO . 6640 1 20 . LYS . 6640 1 21 . TRP . 6640 1 22 . ALA . 6640 1 23 . LYS . 6640 1 24 . ASP . 6640 1 25 . CYS . 6640 1 26 . SER . 6640 1 27 . LYS . 6640 1 28 . GLU . 6640 1 29 . MET . 6640 1 30 . ARG . 6640 1 31 . ILE . 6640 1 32 . GLU . 6640 1 33 . LYS . 6640 1 34 . THR . 6640 1 35 . GLN . 6640 1 36 . THR . 6640 1 37 . LYS . 6640 1 38 . ASP . 6640 1 39 . GLU . 6640 1 40 . LYS . 6640 1 41 . ILE . 6640 1 42 . LEU . 6640 1 43 . VAL . 6640 1 44 . CYS . 6640 1 45 . GLY . 6640 1 46 . MET . 6640 1 47 . SER . 6640 1 48 . ASP . 6640 1 49 . ILE . 6640 1 50 . LEU . 6640 1 51 . LEU . 6640 1 52 . SER . 6640 1 53 . ASP . 6640 1 54 . MET . 6640 1 55 . ASP . 6640 1 56 . TYR . 6640 1 57 . SER . 6640 1 58 . LEU . 6640 1 59 . SER . 6640 1 60 . SER . 6640 1 61 . ALA . 6640 1 62 . ARG . 6640 1 63 . GLN . 6640 1 64 . ASN . 6640 1 65 . ALA . 6640 1 66 . LEU . 6640 1 67 . GLU . 6640 1 68 . LYS . 6640 1 69 . VAL . 6640 1 70 . MET . 6640 1 71 . GLU . 6640 1 72 . ALA . 6640 1 73 . PHE . 6640 1 74 . LYS . 6640 1 75 . GLY . 6640 1 76 . ASP . 6640 1 77 . ARG . 6640 1 78 . ILE . 6640 1 79 . GLU . 6640 1 80 . ILE . 6640 1 81 . LYS . 6640 1 82 . ALA . 6640 1 83 . GLY . 6640 1 84 . GLU . 6640 1 85 . LEU . 6640 1 86 . LYS . 6640 1 87 . ALA . 6640 1 88 . THR . 6640 1 89 . PHE . 6640 1 90 . ILE . 6640 1 91 . ASP . 6640 1 92 . THR . 6640 1 93 . ASP . 6640 1 94 . LYS . 6640 1 95 . VAL . 6640 1 96 . TYR . 6640 1 97 . VAL . 6640 1 98 . LEU . 6640 1 99 . LEU . 6640 1 100 . ARG . 6640 1 101 . ILE . 6640 1 102 . THR . 6640 1 103 . LYS . 6640 1 104 . LYS . 6640 1 105 . HIS . 6640 1 106 . VAL . 6640 1 107 . ALA . 6640 1 108 . LEU . 6640 1 109 . MET . 6640 1 110 . ASN . 6640 1 111 . GLU . 6640 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6640 1 . ARG 2 2 6640 1 . GLY 3 3 6640 1 . SER 4 4 6640 1 . HIS 5 5 6640 1 . HIS 6 6 6640 1 . HIS 7 7 6640 1 . HIS 8 8 6640 1 . HIS 9 9 6640 1 . HIS 10 10 6640 1 . GLY 11 11 6640 1 . SER 12 12 6640 1 . VAL 13 13 6640 1 . TRP 14 14 6640 1 . GLY 15 15 6640 1 . LYS 16 16 6640 1 . SER 17 17 6640 1 . LEU 18 18 6640 1 . PRO 19 19 6640 1 . LYS 20 20 6640 1 . TRP 21 21 6640 1 . ALA 22 22 6640 1 . LYS 23 23 6640 1 . ASP 24 24 6640 1 . CYS 25 25 6640 1 . SER 26 26 6640 1 . LYS 27 27 6640 1 . GLU 28 28 6640 1 . MET 29 29 6640 1 . ARG 30 30 6640 1 . ILE 31 31 6640 1 . GLU 32 32 6640 1 . LYS 33 33 6640 1 . THR 34 34 6640 1 . GLN 35 35 6640 1 . THR 36 36 6640 1 . LYS 37 37 6640 1 . ASP 38 38 6640 1 . GLU 39 39 6640 1 . LYS 40 40 6640 1 . ILE 41 41 6640 1 . LEU 42 42 6640 1 . VAL 43 43 6640 1 . CYS 44 44 6640 1 . GLY 45 45 6640 1 . MET 46 46 6640 1 . SER 47 47 6640 1 . ASP 48 48 6640 1 . ILE 49 49 6640 1 . LEU 50 50 6640 1 . LEU 51 51 6640 1 . SER 52 52 6640 1 . ASP 53 53 6640 1 . MET 54 54 6640 1 . ASP 55 55 6640 1 . TYR 56 56 6640 1 . SER 57 57 6640 1 . LEU 58 58 6640 1 . SER 59 59 6640 1 . SER 60 60 6640 1 . ALA 61 61 6640 1 . ARG 62 62 6640 1 . GLN 63 63 6640 1 . ASN 64 64 6640 1 . ALA 65 65 6640 1 . LEU 66 66 6640 1 . GLU 67 67 6640 1 . LYS 68 68 6640 1 . VAL 69 69 6640 1 . MET 70 70 6640 1 . GLU 71 71 6640 1 . ALA 72 72 6640 1 . PHE 73 73 6640 1 . LYS 74 74 6640 1 . GLY 75 75 6640 1 . ASP 76 76 6640 1 . ARG 77 77 6640 1 . ILE 78 78 6640 1 . GLU 79 79 6640 1 . ILE 80 80 6640 1 . LYS 81 81 6640 1 . ALA 82 82 6640 1 . GLY 83 83 6640 1 . GLU 84 84 6640 1 . LEU 85 85 6640 1 . LYS 86 86 6640 1 . ALA 87 87 6640 1 . THR 88 88 6640 1 . PHE 89 89 6640 1 . ILE 90 90 6640 1 . ASP 91 91 6640 1 . THR 92 92 6640 1 . ASP 93 93 6640 1 . LYS 94 94 6640 1 . VAL 95 95 6640 1 . TYR 96 96 6640 1 . VAL 97 97 6640 1 . LEU 98 98 6640 1 . LEU 99 99 6640 1 . ARG 100 100 6640 1 . ILE 101 101 6640 1 . THR 102 102 6640 1 . LYS 103 103 6640 1 . LYS 104 104 6640 1 . HIS 105 105 6640 1 . VAL 106 106 6640 1 . ALA 107 107 6640 1 . LEU 108 108 6640 1 . MET 109 109 6640 1 . ASN 110 110 6640 1 . GLU 111 111 6640 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 6640 _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 $JHP1348 . 210 organism . 'Helicobacter pylori' 'Helicobacter pylori' . . Eubacteria . Helicobacter pylori J99 . . . . . . . . . . . . . . . . . . . . 6640 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID . 1 $JHP1348 . . . . . JHP1348 . . 6640 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 6640 _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 $JHP1348 . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6640 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6640 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM, 15N/13C-labelled, 100% D2O, pH 4.0, no salt, DSS' _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 JHP1348 '[U-13C; U-15N]' 1 . 1 $JHP1348 . . 1 . . mM . . . . 6640 1 2 D2O . . . . . . . 100 . . % . . . . 6640 1 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6640 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM, 15N-labelled, 10% D2O, pH 4.0, no salt' _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 JHP1348 [U-15N] 1 . 1 $JHP1348 . . 1 . . mM . . . . 6640 2 2 D2O . . . . . . . 10 . . % . . . . 6640 2 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6640 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM, 15N/13C-labelled, 10% D2O, pH 4.0, no salt' _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 JHP1348 '[U-13C; U-15N]' 1 . 1 $JHP1348 . . 1 . . mM . . . . 6640 3 2 D2O . . . . . . . 10 . . % . . . . 6640 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6640 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM, unlabelled, 10% D2O, pH 4.0, no salt' _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 JHP1348 . 1 . 1 $JHP1348 . . 1 . . mM . . . . 6640 4 2 D2O . . . . . . . 10 . . % . . . . 6640 4 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6640 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.0 0.1 pH 6640 1 temperature 300 1 K 6640 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6640 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6640 _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 '15N-1H HSQC' no 1 $15N-1H_HSQC . . . . . . . . 2 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6640 1 2 'C13 NOESY-HSQC' no 2 $C13_NOESY-HSQC . . . . . . . . 1 $sample_3 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6640 1 3 'N15 NOESY-HSQC' no 3 $N15_NOESY-HSQC . . . . . . . . 3 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6640 1 4 CBCANH no 4 $CBCANH . . . . . . . . 3 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6640 1 5 CBCACONH no 5 $CBCACONH . . . . . . . . 3 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6640 1 6 HBHANH no 6 $HBHANH . . . . . . . . 3 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6640 1 7 HBHACONH no 7 $HBHACONH . . . . . . . . 3 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6640 1 8 HNCO no 8 $HNCO . . . . . . . . 3 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6640 1 9 HNCOCA no 9 $HNCOCA . . . . . . . . 3 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6640 1 10 CCCONH no 10 $CCCONH . . . . . . . . 3 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6640 1 11 HCCCONH no 11 $HCCCONH . . . . . . . . 3 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6640 1 12 'HCCH TOCSY' no 12 $HCCH_TOCSY . . . . . . . . 1 $sample_3 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6640 1 13 'HCCH TOCSY aromatic' no 13 $HCCH_TOCSY_aromatic . . . . . . . . 3 $sample_2 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6640 1 14 '13C-1H CT-HSQC' no 14 $13C-1H_CT-HSQC . . . . . . . . 1 $sample_3 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6640 1 15 '13C-1H CT-HSQC aromatic' no 15 $13C-1H_CT-HSQC_aromatic . . . . . . . . 1 $sample_3 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6640 1 16 '1H-1H NOESY' no 16 $1H-1H_NOESY . . . . . . . . 4 $sample_4 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6640 1 stop_ save_ save_15N-1H_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N-1H_HSQC _NMR_spec_expt.Entry_ID 6640 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '15N-1H 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 $600MHz_spectrometer _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_C13_NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode C13_NOESY-HSQC _NMR_spec_expt.Entry_ID 6640 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 'C13 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 $600MHz_spectrometer _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_N15_NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode N15_NOESY-HSQC _NMR_spec_expt.Entry_ID 6640 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 'N15 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 $600MHz_spectrometer _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_CBCANH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCANH _NMR_spec_expt.Entry_ID 6640 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCANH _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 $600MHz_spectrometer _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_CBCACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCACONH _NMR_spec_expt.Entry_ID 6640 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCACONH _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 $600MHz_spectrometer _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_HBHANH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HBHANH _NMR_spec_expt.Entry_ID 6640 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HBHANH _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 $600MHz_spectrometer _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_HBHACONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HBHACONH _NMR_spec_expt.Entry_ID 6640 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HBHACONH _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 $600MHz_spectrometer _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_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 6640 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCO _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 $600MHz_spectrometer _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_HNCOCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCOCA _NMR_spec_expt.Entry_ID 6640 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCOCA _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 $600MHz_spectrometer _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_CCCONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CCCONH _NMR_spec_expt.Entry_ID 6640 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name CCCONH _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 $600MHz_spectrometer _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_HCCCONH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCCONH _NMR_spec_expt.Entry_ID 6640 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCCCONH _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 $600MHz_spectrometer _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_HCCH_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH_TOCSY _NMR_spec_expt.Entry_ID 6640 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name 'HCCH 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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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_HCCH_TOCSY_aromatic _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH_TOCSY_aromatic _NMR_spec_expt.Entry_ID 6640 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name 'HCCH TOCSY aromatic' _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 $600MHz_spectrometer _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_13C-1H_CT-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C-1H_CT-HSQC _NMR_spec_expt.Entry_ID 6640 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '13C-1H CT-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 $600MHz_spectrometer _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_13C-1H_CT-HSQC_aromatic _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C-1H_CT-HSQC_aromatic _NMR_spec_expt.Entry_ID 6640 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '13C-1H CT-HSQC aromatic' _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 $600MHz_spectrometer _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_1H-1H_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H-1H_NOESY _NMR_spec_expt.Entry_ID 6640 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name '1H-1H 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 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _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_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6640 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.25144952 . . . 1 $entry_citation . . 1 $entry_citation 6640 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6640 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.10132905 . . . 1 $entry_citation . . 1 $entry_citation 6640 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6640 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 '15N-1H HSQC' 2 $sample_1 isotropic 6640 1 2 'C13 NOESY-HSQC' 1 $sample_3 isotropic 6640 1 3 'N15 NOESY-HSQC' 3 $sample_2 isotropic 6640 1 4 CBCANH 3 $sample_2 isotropic 6640 1 5 CBCACONH 3 $sample_2 isotropic 6640 1 6 HBHANH 3 $sample_2 isotropic 6640 1 7 HBHACONH 3 $sample_2 isotropic 6640 1 8 HNCO 3 $sample_2 isotropic 6640 1 9 HNCOCA 3 $sample_2 isotropic 6640 1 10 CCCONH 3 $sample_2 isotropic 6640 1 11 HCCCONH 3 $sample_2 isotropic 6640 1 12 'HCCH TOCSY' 1 $sample_3 isotropic 6640 1 13 'HCCH TOCSY_aromatic' 3 $sample_2 isotropic 6640 1 14 '13C-1H CT-HSQC' 1 $sample_3 isotropic 6640 1 15 '13C-1H CT-HSQC aromatic' 1 $sample_3 isotropic 6640 1 16 '1H-1H NOESY' 4 $sample_4 isotropic 6640 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 11 11 GLY H H 1 8.50 0.02 . 1 . . . . 11 GLY H . 6640 1 2 . 1 1 11 11 GLY HA2 H 1 3.97 0.02 . 1 . . . . 11 GLY HA2 . 6640 1 3 . 1 1 11 11 GLY HA3 H 1 3.97 0.02 . 1 . . . . 11 GLY HA3 . 6640 1 4 . 1 1 11 11 GLY C C 13 173.90 0.05 . 1 . . . . 11 GLY C . 6640 1 5 . 1 1 11 11 GLY CA C 13 44.82 0.05 . 1 . . . . 11 GLY CA . 6640 1 6 . 1 1 11 11 GLY N N 15 112.00 0.1 . 1 . . . . 11 GLY N . 6640 1 7 . 1 1 12 12 SER H H 1 8.33 0.02 . 1 . . . . 12 SER H . 6640 1 8 . 1 1 12 12 SER HA H 1 4.44 0.02 . 1 . . . . 12 SER HA . 6640 1 9 . 1 1 12 12 SER HB2 H 1 3.75 0.02 . 1 . . . . 12 SER HB2 . 6640 1 10 . 1 1 12 12 SER HB3 H 1 3.75 0.02 . 1 . . . . 12 SER HB3 . 6640 1 11 . 1 1 12 12 SER HG H 1 5.68 0.02 . 1 . . . . 12 SER HG . 6640 1 12 . 1 1 12 12 SER C C 13 174.70 0.05 . 1 . . . . 12 SER C . 6640 1 13 . 1 1 12 12 SER CA C 13 58.27 0.05 . 1 . . . . 12 SER CA . 6640 1 14 . 1 1 12 12 SER CB C 13 63.90 0.05 . 1 . . . . 12 SER CB . 6640 1 15 . 1 1 12 12 SER N N 15 116.60 0.1 . 1 . . . . 12 SER N . 6640 1 16 . 1 1 13 13 VAL H H 1 8.14 0.02 . 1 . . . . 13 VAL H . 6640 1 17 . 1 1 13 13 VAL HA H 1 4.08 0.02 . 1 . . . . 13 VAL HA . 6640 1 18 . 1 1 13 13 VAL HB H 1 1.95 0.02 . 1 . . . . 13 VAL HB . 6640 1 19 . 1 1 13 13 VAL HG11 H 1 0.78 0.02 . 1 . . . . 13 VAL HG1 . 6640 1 20 . 1 1 13 13 VAL HG12 H 1 0.78 0.02 . 1 . . . . 13 VAL HG1 . 6640 1 21 . 1 1 13 13 VAL HG13 H 1 0.78 0.02 . 1 . . . . 13 VAL HG1 . 6640 1 22 . 1 1 13 13 VAL HG21 H 1 0.78 0.02 . 1 . . . . 13 VAL HG2 . 6640 1 23 . 1 1 13 13 VAL HG22 H 1 0.78 0.02 . 1 . . . . 13 VAL HG2 . 6640 1 24 . 1 1 13 13 VAL HG23 H 1 0.78 0.02 . 1 . . . . 13 VAL HG2 . 6640 1 25 . 1 1 13 13 VAL C C 13 175.80 0.05 . 1 . . . . 13 VAL C . 6640 1 26 . 1 1 13 13 VAL CA C 13 62.06 0.05 . 1 . . . . 13 VAL CA . 6640 1 27 . 1 1 13 13 VAL CB C 13 32.42 0.05 . 1 . . . . 13 VAL CB . 6640 1 28 . 1 1 13 13 VAL CG1 C 13 20.86 0.05 . 2 . . . . 13 VAL CG1 . 6640 1 29 . 1 1 13 13 VAL CG2 C 13 20.05 0.05 . 2 . . . . 13 VAL CG2 . 6640 1 30 . 1 1 13 13 VAL N N 15 122.00 0.1 . 1 . . . . 13 VAL N . 6640 1 31 . 1 1 14 14 TRP H H 1 8.20 0.02 . 1 . . . . 14 TRP H . 6640 1 32 . 1 1 14 14 TRP HA H 1 4.65 0.02 . 1 . . . . 14 TRP HA . 6640 1 33 . 1 1 14 14 TRP HB2 H 1 3.28 0.02 . 2 . . . . 14 TRP HB2 . 6640 1 34 . 1 1 14 14 TRP HB3 H 1 3.13 0.02 . 2 . . . . 14 TRP HB3 . 6640 1 35 . 1 1 14 14 TRP HD1 H 1 7.05 0.02 . 1 . . . . 14 TRP HD1 . 6640 1 36 . 1 1 14 14 TRP HE1 H 1 10.15 0.02 . 1 . . . . 14 TRP HE1 . 6640 1 37 . 1 1 14 14 TRP HE3 H 1 7.56 0.02 . 1 . . . . 14 TRP HE3 . 6640 1 38 . 1 1 14 14 TRP HZ2 H 1 7.34 0.02 . 1 . . . . 14 TRP HZ2 . 6640 1 39 . 1 1 14 14 TRP C C 13 176.60 0.05 . 1 . . . . 14 TRP C . 6640 1 40 . 1 1 14 14 TRP CA C 13 57.11 0.05 . 1 . . . . 14 TRP CA . 6640 1 41 . 1 1 14 14 TRP CB C 13 29.66 0.05 . 1 . . . . 14 TRP CB . 6640 1 42 . 1 1 14 14 TRP CD1 C 13 124.50 0.05 . 1 . . . . 14 TRP CD1 . 6640 1 43 . 1 1 14 14 TRP CZ2 C 13 114.50 0.05 . 1 . . . . 14 TRP CZ2 . 6640 1 44 . 1 1 14 14 TRP N N 15 125.60 0.1 . 1 . . . . 14 TRP N . 6640 1 45 . 1 1 14 14 TRP NE1 N 15 130.40 0.1 . 1 . . . . 14 TRP NE1 . 6640 1 46 . 1 1 15 15 GLY H H 1 8.27 0.02 . 1 . . . . 15 GLY H . 6640 1 47 . 1 1 15 15 GLY HA2 H 1 3.85 0.02 . 1 . . . . 15 GLY HA2 . 6640 1 48 . 1 1 15 15 GLY HA3 H 1 3.85 0.02 . 1 . . . . 15 GLY HA3 . 6640 1 49 . 1 1 15 15 GLY C C 13 174.00 0.05 . 1 . . . . 15 GLY C . 6640 1 50 . 1 1 15 15 GLY CA C 13 45.26 0.05 . 1 . . . . 15 GLY CA . 6640 1 51 . 1 1 15 15 GLY N N 15 111.60 0.1 . 1 . . . . 15 GLY N . 6640 1 52 . 1 1 16 16 LYS H H 1 8.15 0.02 . 1 . . . . 16 LYS H . 6640 1 53 . 1 1 16 16 LYS HA H 1 4.35 0.02 . 1 . . . . 16 LYS HA . 6640 1 54 . 1 1 16 16 LYS HB2 H 1 1.88 0.02 . 2 . . . . 16 LYS HB2 . 6640 1 55 . 1 1 16 16 LYS HB3 H 1 1.75 0.02 . 2 . . . . 16 LYS HB3 . 6640 1 56 . 1 1 16 16 LYS HG2 H 1 1.42 0.02 . 2 . . . . 16 LYS HG2 . 6640 1 57 . 1 1 16 16 LYS C C 13 176.60 0.05 . 1 . . . . 16 LYS C . 6640 1 58 . 1 1 16 16 LYS CA C 13 56.25 0.05 . 1 . . . . 16 LYS CA . 6640 1 59 . 1 1 16 16 LYS CB C 13 33.41 0.05 . 1 . . . . 16 LYS CB . 6640 1 60 . 1 1 16 16 LYS CG C 13 24.75 0.05 . 1 . . . . 16 LYS CG . 6640 1 61 . 1 1 16 16 LYS CD C 13 29.01 0.05 . 1 . . . . 16 LYS CD . 6640 1 62 . 1 1 16 16 LYS CE C 13 41.90 0.05 . 1 . . . . 16 LYS CE . 6640 1 63 . 1 1 16 16 LYS N N 15 121.30 0.1 . 1 . . . . 16 LYS N . 6640 1 64 . 1 1 17 17 SER H H 1 8.23 0.02 . 1 . . . . 17 SER H . 6640 1 65 . 1 1 17 17 SER HA H 1 4.36 0.02 . 1 . . . . 17 SER HA . 6640 1 66 . 1 1 17 17 SER HB2 H 1 3.69 0.02 . 1 . . . . 17 SER HB2 . 6640 1 67 . 1 1 17 17 SER HB3 H 1 3.69 0.02 . 1 . . . . 17 SER HB3 . 6640 1 68 . 1 1 17 17 SER C C 13 173.10 0.05 . 1 . . . . 17 SER C . 6640 1 69 . 1 1 17 17 SER CA C 13 57.43 0.05 . 1 . . . . 17 SER CA . 6640 1 70 . 1 1 17 17 SER CB C 13 63.56 0.05 . 1 . . . . 17 SER CB . 6640 1 71 . 1 1 17 17 SER N N 15 117.20 0.1 . 1 . . . . 17 SER N . 6640 1 72 . 1 1 18 18 LEU H H 1 7.88 0.02 . 1 . . . . 18 LEU H . 6640 1 73 . 1 1 18 18 LEU HA H 1 3.22 0.02 . 1 . . . . 18 LEU HA . 6640 1 74 . 1 1 18 18 LEU HB2 H 1 1.04 0.02 . 2 . . . . 18 LEU HB2 . 6640 1 75 . 1 1 18 18 LEU HB3 H 1 0.84 0.02 . 2 . . . . 18 LEU HB3 . 6640 1 76 . 1 1 18 18 LEU HG H 1 0.35 0.02 . 1 . . . . 18 LEU HG . 6640 1 77 . 1 1 18 18 LEU HD11 H 1 -0.46 0.02 . 1 . . . . 18 LEU HD1 . 6640 1 78 . 1 1 18 18 LEU HD12 H 1 -0.46 0.02 . 1 . . . . 18 LEU HD1 . 6640 1 79 . 1 1 18 18 LEU HD13 H 1 -0.46 0.02 . 1 . . . . 18 LEU HD1 . 6640 1 80 . 1 1 18 18 LEU HD21 H 1 -0.46 0.02 . 1 . . . . 18 LEU HD2 . 6640 1 81 . 1 1 18 18 LEU HD22 H 1 -0.46 0.02 . 1 . . . . 18 LEU HD2 . 6640 1 82 . 1 1 18 18 LEU HD23 H 1 -0.46 0.02 . 1 . . . . 18 LEU HD2 . 6640 1 83 . 1 1 18 18 LEU CA C 13 52.79 0.05 . 1 . . . . 18 LEU CA . 6640 1 84 . 1 1 18 18 LEU CB C 13 42.10 0.05 . 1 . . . . 18 LEU CB . 6640 1 85 . 1 1 18 18 LEU CG C 13 25.07 0.05 . 1 . . . . 18 LEU CG . 6640 1 86 . 1 1 18 18 LEU N N 15 125.80 0.1 . 1 . . . . 18 LEU N . 6640 1 87 . 1 1 19 19 PRO HA H 1 4.07 0.02 . 1 . . . . 19 PRO HA . 6640 1 88 . 1 1 19 19 PRO HB2 H 1 1.98 0.02 . 2 . . . . 19 PRO HB2 . 6640 1 89 . 1 1 19 19 PRO C C 13 177.30 0.05 . 1 . . . . 19 PRO C . 6640 1 90 . 1 1 19 19 PRO CA C 13 61.45 0.05 . 1 . . . . 19 PRO CA . 6640 1 91 . 1 1 19 19 PRO CB C 13 31.97 0.05 . 1 . . . . 19 PRO CB . 6640 1 92 . 1 1 19 19 PRO CG C 13 27.06 0.05 . 1 . . . . 19 PRO CG . 6640 1 93 . 1 1 20 20 LYS H H 1 8.64 0.02 . 1 . . . . 20 LYS H . 6640 1 94 . 1 1 20 20 LYS HA H 1 3.56 0.02 . 1 . . . . 20 LYS HA . 6640 1 95 . 1 1 20 20 LYS HB2 H 1 1.78 0.02 . 1 . . . . 20 LYS HB2 . 6640 1 96 . 1 1 20 20 LYS HB3 H 1 1.78 0.02 . 1 . . . . 20 LYS HB3 . 6640 1 97 . 1 1 20 20 LYS HG2 H 1 1.35 0.02 . 1 . . . . 20 LYS HG2 . 6640 1 98 . 1 1 20 20 LYS HG3 H 1 1.35 0.02 . 1 . . . . 20 LYS HG3 . 6640 1 99 . 1 1 20 20 LYS HD2 H 1 1.59 0.02 . 1 . . . . 20 LYS HD2 . 6640 1 100 . 1 1 20 20 LYS HD3 H 1 1.59 0.02 . 1 . . . . 20 LYS HD3 . 6640 1 101 . 1 1 20 20 LYS HE2 H 1 2.93 0.02 . 1 . . . . 20 LYS HE2 . 6640 1 102 . 1 1 20 20 LYS HE3 H 1 2.93 0.02 . 1 . . . . 20 LYS HE3 . 6640 1 103 . 1 1 20 20 LYS C C 13 177.80 0.05 . 1 . . . . 20 LYS C . 6640 1 104 . 1 1 20 20 LYS CA C 13 60.01 0.05 . 1 . . . . 20 LYS CA . 6640 1 105 . 1 1 20 20 LYS CB C 13 31.68 0.05 . 1 . . . . 20 LYS CB . 6640 1 106 . 1 1 20 20 LYS CG C 13 24.65 0.05 . 1 . . . . 20 LYS CG . 6640 1 107 . 1 1 20 20 LYS CD C 13 28.93 0.05 . 1 . . . . 20 LYS CD . 6640 1 108 . 1 1 20 20 LYS CE C 13 42.09 0.05 . 1 . . . . 20 LYS CE . 6640 1 109 . 1 1 20 20 LYS N N 15 124.30 0.1 . 1 . . . . 20 LYS N . 6640 1 110 . 1 1 21 21 TRP H H 1 7.10 0.02 . 1 . . . . 21 TRP H . 6640 1 111 . 1 1 21 21 TRP HA H 1 4.21 0.02 . 1 . . . . 21 TRP HA . 6640 1 112 . 1 1 21 21 TRP HB2 H 1 3.25 0.02 . 2 . . . . 21 TRP HB2 . 6640 1 113 . 1 1 21 21 TRP HB3 H 1 3.03 0.02 . 2 . . . . 21 TRP HB3 . 6640 1 114 . 1 1 21 21 TRP HD1 H 1 7.09 0.02 . 1 . . . . 21 TRP HD1 . 6640 1 115 . 1 1 21 21 TRP HE1 H 1 10.47 0.02 . 1 . . . . 21 TRP HE1 . 6640 1 116 . 1 1 21 21 TRP HE3 H 1 7.44 0.02 . 1 . . . . 21 TRP HE3 . 6640 1 117 . 1 1 21 21 TRP HZ2 H 1 7.29 0.02 . 1 . . . . 21 TRP HZ2 . 6640 1 118 . 1 1 21 21 TRP HZ3 H 1 6.97 0.02 . 1 . . . . 21 TRP HZ3 . 6640 1 119 . 1 1 21 21 TRP HH2 H 1 7.05 0.02 . 1 . . . . 21 TRP HH2 . 6640 1 120 . 1 1 21 21 TRP C C 13 176.30 0.05 . 1 . . . . 21 TRP C . 6640 1 121 . 1 1 21 21 TRP CA C 13 57.41 0.05 . 1 . . . . 21 TRP CA . 6640 1 122 . 1 1 21 21 TRP CB C 13 27.63 0.05 . 1 . . . . 21 TRP CB . 6640 1 123 . 1 1 21 21 TRP CD1 C 13 124.60 0.05 . 1 . . . . 21 TRP CD1 . 6640 1 124 . 1 1 21 21 TRP CE3 C 13 120.80 0.05 . 1 . . . . 21 TRP CE3 . 6640 1 125 . 1 1 21 21 TRP CZ2 C 13 114.40 0.05 . 1 . . . . 21 TRP CZ2 . 6640 1 126 . 1 1 21 21 TRP CZ3 C 13 122.00 0.05 . 1 . . . . 21 TRP CZ3 . 6640 1 127 . 1 1 21 21 TRP CH2 C 13 122.90 0.05 . 1 . . . . 21 TRP CH2 . 6640 1 128 . 1 1 21 21 TRP N N 15 113.20 0.1 . 1 . . . . 21 TRP N . 6640 1 129 . 1 1 21 21 TRP NE1 N 15 131.40 0.1 . 1 . . . . 21 TRP NE1 . 6640 1 130 . 1 1 22 22 ALA H H 1 5.93 0.02 . 1 . . . . 22 ALA H . 6640 1 131 . 1 1 22 22 ALA HA H 1 4.04 0.02 . 1 . . . . 22 ALA HA . 6640 1 132 . 1 1 22 22 ALA HB1 H 1 -0.49 0.02 . 1 . . . . 22 ALA HB . 6640 1 133 . 1 1 22 22 ALA HB2 H 1 -0.49 0.02 . 1 . . . . 22 ALA HB . 6640 1 134 . 1 1 22 22 ALA HB3 H 1 -0.49 0.02 . 1 . . . . 22 ALA HB . 6640 1 135 . 1 1 22 22 ALA C C 13 179.30 0.05 . 1 . . . . 22 ALA C . 6640 1 136 . 1 1 22 22 ALA CA C 13 52.49 0.05 . 1 . . . . 22 ALA CA . 6640 1 137 . 1 1 22 22 ALA CB C 13 16.65 0.05 . 1 . . . . 22 ALA CB . 6640 1 138 . 1 1 22 22 ALA N N 15 123.40 0.1 . 1 . . . . 22 ALA N . 6640 1 139 . 1 1 23 23 LYS H H 1 7.43 0.02 . 1 . . . . 23 LYS H . 6640 1 140 . 1 1 23 23 LYS HA H 1 3.58 0.02 . 1 . . . . 23 LYS HA . 6640 1 141 . 1 1 23 23 LYS HB2 H 1 1.66 0.02 . 2 . . . . 23 LYS HB2 . 6640 1 142 . 1 1 23 23 LYS HB3 H 1 1.51 0.02 . 2 . . . . 23 LYS HB3 . 6640 1 143 . 1 1 23 23 LYS HG2 H 1 1.20 0.02 . 1 . . . . 23 LYS HG2 . 6640 1 144 . 1 1 23 23 LYS HG3 H 1 1.20 0.02 . 1 . . . . 23 LYS HG3 . 6640 1 145 . 1 1 23 23 LYS HE2 H 1 2.83 0.02 . 1 . . . . 23 LYS HE2 . 6640 1 146 . 1 1 23 23 LYS HE3 H 1 2.83 0.02 . 1 . . . . 23 LYS HE3 . 6640 1 147 . 1 1 23 23 LYS C C 13 177.60 0.05 . 1 . . . . 23 LYS C . 6640 1 148 . 1 1 23 23 LYS CA C 13 59.14 0.05 . 1 . . . . 23 LYS CA . 6640 1 149 . 1 1 23 23 LYS CB C 13 31.96 0.05 . 1 . . . . 23 LYS CB . 6640 1 150 . 1 1 23 23 LYS CG C 13 24.81 0.05 . 1 . . . . 23 LYS CG . 6640 1 151 . 1 1 23 23 LYS CD C 13 28.94 0.05 . 1 . . . . 23 LYS CD . 6640 1 152 . 1 1 23 23 LYS CE C 13 41.80 0.05 . 1 . . . . 23 LYS CE . 6640 1 153 . 1 1 23 23 LYS N N 15 122.40 0.1 . 1 . . . . 23 LYS N . 6640 1 154 . 1 1 24 24 ASP H H 1 7.82 0.02 . 1 . . . . 24 ASP H . 6640 1 155 . 1 1 24 24 ASP HA H 1 4.77 0.02 . 1 . . . . 24 ASP HA . 6640 1 156 . 1 1 24 24 ASP HB2 H 1 2.91 0.02 . 2 . . . . 24 ASP HB2 . 6640 1 157 . 1 1 24 24 ASP HB3 H 1 2.55 0.02 . 2 . . . . 24 ASP HB3 . 6640 1 158 . 1 1 24 24 ASP C C 13 176.90 0.05 . 1 . . . . 24 ASP C . 6640 1 159 . 1 1 24 24 ASP CA C 13 53.07 0.05 . 1 . . . . 24 ASP CA . 6640 1 160 . 1 1 24 24 ASP CB C 13 39.49 0.05 . 1 . . . . 24 ASP CB . 6640 1 161 . 1 1 24 24 ASP N N 15 117.30 0.1 . 1 . . . . 24 ASP N . 6640 1 162 . 1 1 25 25 CYS H H 1 7.16 0.02 . 1 . . . . 25 CYS H . 6640 1 163 . 1 1 25 25 CYS HA H 1 4.34 0.02 . 1 . . . . 25 CYS HA . 6640 1 164 . 1 1 25 25 CYS HB2 H 1 3.34 0.02 . 2 . . . . 25 CYS HB2 . 6640 1 165 . 1 1 25 25 CYS HG H 1 2.41 0.02 . 1 . . . . 25 CYS HG . 6640 1 166 . 1 1 25 25 CYS C C 13 175.80 0.05 . 1 . . . . 25 CYS C . 6640 1 167 . 1 1 25 25 CYS CA C 13 59.43 0.05 . 1 . . . . 25 CYS CA . 6640 1 168 . 1 1 25 25 CYS CB C 13 44.12 0.05 . 1 . . . . 25 CYS CB . 6640 1 169 . 1 1 25 25 CYS N N 15 120.50 0.1 . 1 . . . . 25 CYS N . 6640 1 170 . 1 1 26 26 SER H H 1 8.52 0.02 . 1 . . . . 26 SER H . 6640 1 171 . 1 1 26 26 SER HA H 1 4.32 0.02 . 1 . . . . 26 SER HA . 6640 1 172 . 1 1 26 26 SER HB2 H 1 3.91 0.02 . 1 . . . . 26 SER HB2 . 6640 1 173 . 1 1 26 26 SER HB3 H 1 3.91 0.02 . 1 . . . . 26 SER HB3 . 6640 1 174 . 1 1 26 26 SER C C 13 175.00 0.05 . 1 . . . . 26 SER C . 6640 1 175 . 1 1 26 26 SER CA C 13 59.44 0.05 . 1 . . . . 26 SER CA . 6640 1 176 . 1 1 26 26 SER CB C 13 62.90 0.05 . 1 . . . . 26 SER CB . 6640 1 177 . 1 1 26 26 SER N N 15 110.50 0.1 . 1 . . . . 26 SER N . 6640 1 178 . 1 1 27 27 LYS H H 1 7.66 0.02 . 1 . . . . 27 LYS H . 6640 1 179 . 1 1 27 27 LYS HA H 1 4.40 0.02 . 1 . . . . 27 LYS HA . 6640 1 180 . 1 1 27 27 LYS HB2 H 1 1.89 0.02 . 2 . . . . 27 LYS HB2 . 6640 1 181 . 1 1 27 27 LYS HB3 H 1 1.81 0.02 . 2 . . . . 27 LYS HB3 . 6640 1 182 . 1 1 27 27 LYS HG2 H 1 1.41 0.02 . 1 . . . . 27 LYS HG2 . 6640 1 183 . 1 1 27 27 LYS HG3 H 1 1.41 0.02 . 1 . . . . 27 LYS HG3 . 6640 1 184 . 1 1 27 27 LYS HD2 H 1 1.62 0.02 . 2 . . . . 27 LYS HD2 . 6640 1 185 . 1 1 27 27 LYS C C 13 176.20 0.05 . 1 . . . . 27 LYS C . 6640 1 186 . 1 1 27 27 LYS CA C 13 55.96 0.05 . 1 . . . . 27 LYS CA . 6640 1 187 . 1 1 27 27 LYS CB C 13 33.13 0.05 . 1 . . . . 27 LYS CB . 6640 1 188 . 1 1 27 27 LYS CG C 13 24.89 0.05 . 1 . . . . 27 LYS CG . 6640 1 189 . 1 1 27 27 LYS CD C 13 28.93 0.05 . 1 . . . . 27 LYS CD . 6640 1 190 . 1 1 27 27 LYS CE C 13 42.23 0.05 . 1 . . . . 27 LYS CE . 6640 1 191 . 1 1 27 27 LYS N N 15 121.20 0.1 . 1 . . . . 27 LYS N . 6640 1 192 . 1 1 28 28 GLU H H 1 8.01 0.02 . 1 . . . . 28 GLU H . 6640 1 193 . 1 1 28 28 GLU HA H 1 4.26 0.02 . 1 . . . . 28 GLU HA . 6640 1 194 . 1 1 28 28 GLU HB2 H 1 2.07 0.02 . 1 . . . . 28 GLU HB2 . 6640 1 195 . 1 1 28 28 GLU HB3 H 1 2.07 0.02 . 1 . . . . 28 GLU HB3 . 6640 1 196 . 1 1 28 28 GLU HG2 H 1 2.41 0.02 . 1 . . . . 28 GLU HG2 . 6640 1 197 . 1 1 28 28 GLU HG3 H 1 2.41 0.02 . 1 . . . . 28 GLU HG3 . 6640 1 198 . 1 1 28 28 GLU C C 13 175.80 0.05 . 1 . . . . 28 GLU C . 6640 1 199 . 1 1 28 28 GLU CA C 13 56.54 0.05 . 1 . . . . 28 GLU CA . 6640 1 200 . 1 1 28 28 GLU CB C 13 29.08 0.05 . 1 . . . . 28 GLU CB . 6640 1 201 . 1 1 28 28 GLU CG C 13 34.14 0.05 . 1 . . . . 28 GLU CG . 6640 1 202 . 1 1 28 28 GLU N N 15 121.90 0.1 . 1 . . . . 28 GLU N . 6640 1 203 . 1 1 29 29 MET H H 1 8.41 0.02 . 1 . . . . 29 MET H . 6640 1 204 . 1 1 29 29 MET HA H 1 4.60 0.02 . 1 . . . . 29 MET HA . 6640 1 205 . 1 1 29 29 MET HB2 H 1 1.97 0.02 . 1 . . . . 29 MET HB2 . 6640 1 206 . 1 1 29 29 MET HB3 H 1 1.97 0.02 . 1 . . . . 29 MET HB3 . 6640 1 207 . 1 1 29 29 MET HG2 H 1 2.18 0.02 . 2 . . . . 29 MET HG2 . 6640 1 208 . 1 1 29 29 MET C C 13 174.60 0.05 . 1 . . . . 29 MET C . 6640 1 209 . 1 1 29 29 MET CA C 13 55.97 0.05 . 1 . . . . 29 MET CA . 6640 1 210 . 1 1 29 29 MET CB C 13 33.42 0.05 . 1 . . . . 29 MET CB . 6640 1 211 . 1 1 29 29 MET CG C 13 31.68 0.05 . 1 . . . . 29 MET CG . 6640 1 212 . 1 1 29 29 MET CE C 13 17.81 0.05 . 1 . . . . 29 MET CE . 6640 1 213 . 1 1 29 29 MET N N 15 126.20 0.1 . 1 . . . . 29 MET N . 6640 1 214 . 1 1 30 30 ARG H H 1 8.54 0.02 . 1 . . . . 30 ARG H . 6640 1 215 . 1 1 30 30 ARG HA H 1 4.45 0.02 . 1 . . . . 30 ARG HA . 6640 1 216 . 1 1 30 30 ARG HB2 H 1 1.80 0.02 . 2 . . . . 30 ARG HB2 . 6640 1 217 . 1 1 30 30 ARG HG2 H 1 1.59 0.02 . 1 . . . . 30 ARG HG2 . 6640 1 218 . 1 1 30 30 ARG HG3 H 1 1.59 0.02 . 1 . . . . 30 ARG HG3 . 6640 1 219 . 1 1 30 30 ARG HD2 H 1 3.14 0.02 . 2 . . . . 30 ARG HD2 . 6640 1 220 . 1 1 30 30 ARG C C 13 175.60 0.05 . 1 . . . . 30 ARG C . 6640 1 221 . 1 1 30 30 ARG CA C 13 55.96 0.05 . 1 . . . . 30 ARG CA . 6640 1 222 . 1 1 30 30 ARG CB C 13 30.53 0.05 . 1 . . . . 30 ARG CB . 6640 1 223 . 1 1 30 30 ARG N N 15 125.00 0.1 . 1 . . . . 30 ARG N . 6640 1 224 . 1 1 31 31 ILE H H 1 8.36 0.02 . 1 . . . . 31 ILE H . 6640 1 225 . 1 1 31 31 ILE HA H 1 4.07 0.02 . 1 . . . . 31 ILE HA . 6640 1 226 . 1 1 31 31 ILE HB H 1 1.80 0.02 . 1 . . . . 31 ILE HB . 6640 1 227 . 1 1 31 31 ILE HG12 H 1 1.13 0.02 . 1 . . . . 31 ILE HG12 . 6640 1 228 . 1 1 31 31 ILE HG13 H 1 1.13 0.02 . 1 . . . . 31 ILE HG13 . 6640 1 229 . 1 1 31 31 ILE HG21 H 1 0.83 0.02 . 1 . . . . 31 ILE HG2 . 6640 1 230 . 1 1 31 31 ILE HG22 H 1 0.83 0.02 . 1 . . . . 31 ILE HG2 . 6640 1 231 . 1 1 31 31 ILE HG23 H 1 0.83 0.02 . 1 . . . . 31 ILE HG2 . 6640 1 232 . 1 1 31 31 ILE C C 13 176.30 0.05 . 1 . . . . 31 ILE C . 6640 1 233 . 1 1 31 31 ILE CA C 13 60.59 0.05 . 1 . . . . 31 ILE CA . 6640 1 234 . 1 1 31 31 ILE CB C 13 38.62 0.05 . 1 . . . . 31 ILE CB . 6640 1 235 . 1 1 31 31 ILE CG1 C 13 27.20 0.05 . 1 . . . . 31 ILE CG1 . 6640 1 236 . 1 1 31 31 ILE CG2 C 13 17.24 0.05 . 1 . . . . 31 ILE CG2 . 6640 1 237 . 1 1 31 31 ILE N N 15 123.90 0.1 . 1 . . . . 31 ILE N . 6640 1 238 . 1 1 32 32 GLU H H 1 8.47 0.02 . 1 . . . . 32 GLU H . 6640 1 239 . 1 1 32 32 GLU HA H 1 4.29 0.02 . 1 . . . . 32 GLU HA . 6640 1 240 . 1 1 32 32 GLU HB2 H 1 2.00 0.02 . 2 . . . . 32 GLU HB2 . 6640 1 241 . 1 1 32 32 GLU HB3 H 1 1.87 0.02 . 2 . . . . 32 GLU HB3 . 6640 1 242 . 1 1 32 32 GLU HG2 H 1 2.29 0.02 . 1 . . . . 32 GLU HG2 . 6640 1 243 . 1 1 32 32 GLU HG3 H 1 2.29 0.02 . 1 . . . . 32 GLU HG3 . 6640 1 244 . 1 1 32 32 GLU C C 13 176.20 0.05 . 1 . . . . 32 GLU C . 6640 1 245 . 1 1 32 32 GLU CA C 13 55.97 0.05 . 1 . . . . 32 GLU CA . 6640 1 246 . 1 1 32 32 GLU CB C 13 29.66 0.05 . 1 . . . . 32 GLU CB . 6640 1 247 . 1 1 32 32 GLU CG C 13 34.80 0.05 . 1 . . . . 32 GLU CG . 6640 1 248 . 1 1 32 32 GLU N N 15 126.20 0.1 . 1 . . . . 32 GLU N . 6640 1 249 . 1 1 33 33 LYS H H 1 8.39 0.02 . 1 . . . . 33 LYS H . 6640 1 250 . 1 1 33 33 LYS HA H 1 4.51 0.02 . 1 . . . . 33 LYS HA . 6640 1 251 . 1 1 33 33 LYS HB2 H 1 1.79 0.02 . 2 . . . . 33 LYS HB2 . 6640 1 252 . 1 1 33 33 LYS HG2 H 1 1.43 0.02 . 2 . . . . 33 LYS HG2 . 6640 1 253 . 1 1 33 33 LYS C C 13 176.90 0.05 . 1 . . . . 33 LYS C . 6640 1 254 . 1 1 33 33 LYS CA C 13 56.25 0.05 . 1 . . . . 33 LYS CA . 6640 1 255 . 1 1 33 33 LYS CB C 13 32.84 0.05 . 1 . . . . 33 LYS CB . 6640 1 256 . 1 1 33 33 LYS CG C 13 24.96 0.05 . 1 . . . . 33 LYS CG . 6640 1 257 . 1 1 33 33 LYS CD C 13 29.08 0.05 . 1 . . . . 33 LYS CD . 6640 1 258 . 1 1 33 33 LYS CE C 13 42.24 0.05 . 1 . . . . 33 LYS CE . 6640 1 259 . 1 1 33 33 LYS N N 15 123.80 0.1 . 1 . . . . 33 LYS N . 6640 1 260 . 1 1 34 34 THR H H 1 8.23 0.02 . 1 . . . . 34 THR H . 6640 1 261 . 1 1 34 34 THR HA H 1 4.53 0.02 . 1 . . . . 34 THR HA . 6640 1 262 . 1 1 34 34 THR HB H 1 4.38 0.02 . 1 . . . . 34 THR HB . 6640 1 263 . 1 1 34 34 THR HG21 H 1 1.15 0.02 . 1 . . . . 34 THR HG2 . 6640 1 264 . 1 1 34 34 THR HG22 H 1 1.15 0.02 . 1 . . . . 34 THR HG2 . 6640 1 265 . 1 1 34 34 THR HG23 H 1 1.15 0.02 . 1 . . . . 34 THR HG2 . 6640 1 266 . 1 1 34 34 THR C C 13 175.00 0.05 . 1 . . . . 34 THR C . 6640 1 267 . 1 1 34 34 THR CA C 13 60.88 0.05 . 1 . . . . 34 THR CA . 6640 1 268 . 1 1 34 34 THR CB C 13 70.14 0.05 . 1 . . . . 34 THR CB . 6640 1 269 . 1 1 34 34 THR N N 15 114.50 0.1 . 1 . . . . 34 THR N . 6640 1 270 . 1 1 35 35 GLN H H 1 8.63 0.02 . 1 . . . . 35 GLN H . 6640 1 271 . 1 1 35 35 GLN HA H 1 4.36 0.02 . 1 . . . . 35 GLN HA . 6640 1 272 . 1 1 35 35 GLN HB2 H 1 2.22 0.02 . 2 . . . . 35 GLN HB2 . 6640 1 273 . 1 1 35 35 GLN HB3 H 1 2.05 0.02 . 2 . . . . 35 GLN HB3 . 6640 1 274 . 1 1 35 35 GLN HG2 H 1 2.39 0.02 . 1 . . . . 35 GLN HG2 . 6640 1 275 . 1 1 35 35 GLN HG3 H 1 2.39 0.02 . 1 . . . . 35 GLN HG3 . 6640 1 276 . 1 1 35 35 GLN HE21 H 1 7.55 0.02 . 1 . . . . 35 GLN HE21 . 6640 1 277 . 1 1 35 35 GLN HE22 H 1 6.83 0.02 . 1 . . . . 35 GLN HE22 . 6640 1 278 . 1 1 35 35 GLN C C 13 176.60 0.05 . 1 . . . . 35 GLN C . 6640 1 279 . 1 1 35 35 GLN CA C 13 56.55 0.05 . 1 . . . . 35 GLN CA . 6640 1 280 . 1 1 35 35 GLN CB C 13 28.80 0.05 . 1 . . . . 35 GLN CB . 6640 1 281 . 1 1 35 35 GLN CG C 13 33.99 0.05 . 1 . . . . 35 GLN CG . 6640 1 282 . 1 1 35 35 GLN N N 15 121.30 0.1 . 1 . . . . 35 GLN N . 6640 1 283 . 1 1 35 35 GLN NE2 N 15 112.90 0.1 . 1 . . . . 35 GLN NE2 . 6640 1 284 . 1 1 36 36 THR H H 1 7.93 0.02 . 1 . . . . 36 THR H . 6640 1 285 . 1 1 36 36 THR HA H 1 4.34 0.02 . 1 . . . . 36 THR HA . 6640 1 286 . 1 1 36 36 THR HG21 H 1 1.15 0.02 . 1 . . . . 36 THR HG2 . 6640 1 287 . 1 1 36 36 THR HG22 H 1 1.15 0.02 . 1 . . . . 36 THR HG2 . 6640 1 288 . 1 1 36 36 THR HG23 H 1 1.15 0.02 . 1 . . . . 36 THR HG2 . 6640 1 289 . 1 1 36 36 THR C C 13 174.40 0.05 . 1 . . . . 36 THR C . 6640 1 290 . 1 1 36 36 THR CA C 13 61.29 0.05 . 1 . . . . 36 THR CA . 6640 1 291 . 1 1 36 36 THR CB C 13 69.54 0.05 . 1 . . . . 36 THR CB . 6640 1 292 . 1 1 36 36 THR CG2 C 13 21.57 0.05 . 1 . . . . 36 THR CG2 . 6640 1 293 . 1 1 36 36 THR N N 15 112.10 0.1 . 1 . . . . 36 THR N . 6640 1 294 . 1 1 37 37 LYS H H 1 8.08 0.02 . 1 . . . . 37 LYS H . 6640 1 295 . 1 1 37 37 LYS HA H 1 4.10 0.02 . 1 . . . . 37 LYS HA . 6640 1 296 . 1 1 37 37 LYS HB2 H 1 1.78 0.02 . 1 . . . . 37 LYS HB2 . 6640 1 297 . 1 1 37 37 LYS HB3 H 1 1.78 0.02 . 1 . . . . 37 LYS HB3 . 6640 1 298 . 1 1 37 37 LYS HG2 H 1 1.32 0.02 . 1 . . . . 37 LYS HG2 . 6640 1 299 . 1 1 37 37 LYS HG3 H 1 1.32 0.02 . 1 . . . . 37 LYS HG3 . 6640 1 300 . 1 1 37 37 LYS HD2 H 1 1.54 0.02 . 1 . . . . 37 LYS HD2 . 6640 1 301 . 1 1 37 37 LYS HD3 H 1 1.54 0.02 . 1 . . . . 37 LYS HD3 . 6640 1 302 . 1 1 37 37 LYS HE2 H 1 2.93 0.02 . 1 . . . . 37 LYS HE2 . 6640 1 303 . 1 1 37 37 LYS HE3 H 1 2.93 0.02 . 1 . . . . 37 LYS HE3 . 6640 1 304 . 1 1 37 37 LYS C C 13 176.40 0.05 . 1 . . . . 37 LYS C . 6640 1 305 . 1 1 37 37 LYS CA C 13 57.12 0.05 . 1 . . . . 37 LYS CA . 6640 1 306 . 1 1 37 37 LYS CB C 13 31.68 0.05 . 1 . . . . 37 LYS CB . 6640 1 307 . 1 1 37 37 LYS CG C 13 24.89 0.05 . 1 . . . . 37 LYS CG . 6640 1 308 . 1 1 37 37 LYS CD C 13 28.86 0.05 . 1 . . . . 37 LYS CD . 6640 1 309 . 1 1 37 37 LYS CE C 13 42.23 0.05 . 1 . . . . 37 LYS CE . 6640 1 310 . 1 1 37 37 LYS N N 15 118.60 0.1 . 1 . . . . 37 LYS N . 6640 1 311 . 1 1 38 38 ASP H H 1 7.85 0.02 . 1 . . . . 38 ASP H . 6640 1 312 . 1 1 38 38 ASP HA H 1 4.70 0.02 . 1 . . . . 38 ASP HA . 6640 1 313 . 1 1 38 38 ASP HB2 H 1 2.52 0.02 . 1 . . . . 38 ASP HB2 . 6640 1 314 . 1 1 38 38 ASP HB3 H 1 2.52 0.02 . 1 . . . . 38 ASP HB3 . 6640 1 315 . 1 1 38 38 ASP C C 13 175.40 0.05 . 1 . . . . 38 ASP C . 6640 1 316 . 1 1 38 38 ASP CA C 13 54.23 0.05 . 1 . . . . 38 ASP CA . 6640 1 317 . 1 1 38 38 ASP CB C 13 40.93 0.05 . 1 . . . . 38 ASP CB . 6640 1 318 . 1 1 38 38 ASP N N 15 120.20 0.1 . 1 . . . . 38 ASP N . 6640 1 319 . 1 1 39 39 GLU H H 1 8.41 0.02 . 1 . . . . 39 GLU H . 6640 1 320 . 1 1 39 39 GLU HA H 1 4.67 0.02 . 1 . . . . 39 GLU HA . 6640 1 321 . 1 1 39 39 GLU HB2 H 1 1.89 0.02 . 1 . . . . 39 GLU HB2 . 6640 1 322 . 1 1 39 39 GLU HB3 H 1 1.89 0.02 . 1 . . . . 39 GLU HB3 . 6640 1 323 . 1 1 39 39 GLU HG2 H 1 2.28 0.02 . 1 . . . . 39 GLU HG2 . 6640 1 324 . 1 1 39 39 GLU HG3 H 1 2.28 0.02 . 1 . . . . 39 GLU HG3 . 6640 1 325 . 1 1 39 39 GLU C C 13 174.90 0.05 . 1 . . . . 39 GLU C . 6640 1 326 . 1 1 39 39 GLU CA C 13 55.38 0.05 . 1 . . . . 39 GLU CA . 6640 1 327 . 1 1 39 39 GLU CB C 13 31.68 0.05 . 1 . . . . 39 GLU CB . 6640 1 328 . 1 1 39 39 GLU CG C 13 35.01 0.05 . 1 . . . . 39 GLU CG . 6640 1 329 . 1 1 39 39 GLU N N 15 120.50 0.1 . 1 . . . . 39 GLU N . 6640 1 330 . 1 1 40 40 LYS H H 1 8.64 0.02 . 1 . . . . 40 LYS H . 6640 1 331 . 1 1 40 40 LYS HA H 1 5.05 0.02 . 1 . . . . 40 LYS HA . 6640 1 332 . 1 1 40 40 LYS HB2 H 1 1.69 0.02 . 1 . . . . 40 LYS HB2 . 6640 1 333 . 1 1 40 40 LYS HB3 H 1 1.69 0.02 . 1 . . . . 40 LYS HB3 . 6640 1 334 . 1 1 40 40 LYS HG2 H 1 1.31 0.02 . 1 . . . . 40 LYS HG2 . 6640 1 335 . 1 1 40 40 LYS HG3 H 1 1.31 0.02 . 1 . . . . 40 LYS HG3 . 6640 1 336 . 1 1 40 40 LYS HD2 H 1 1.48 0.02 . 1 . . . . 40 LYS HD2 . 6640 1 337 . 1 1 40 40 LYS HD3 H 1 1.48 0.02 . 1 . . . . 40 LYS HD3 . 6640 1 338 . 1 1 40 40 LYS HE2 H 1 2.81 0.02 . 1 . . . . 40 LYS HE2 . 6640 1 339 . 1 1 40 40 LYS HE3 H 1 2.81 0.02 . 1 . . . . 40 LYS HE3 . 6640 1 340 . 1 1 40 40 LYS C C 13 175.40 0.05 . 1 . . . . 40 LYS C . 6640 1 341 . 1 1 40 40 LYS CA C 13 54.51 0.05 . 1 . . . . 40 LYS CA . 6640 1 342 . 1 1 40 40 LYS CB C 13 34.00 0.05 . 1 . . . . 40 LYS CB . 6640 1 343 . 1 1 40 40 LYS CG C 13 25.03 0.05 . 1 . . . . 40 LYS CG . 6640 1 344 . 1 1 40 40 LYS CD C 13 29.37 0.05 . 1 . . . . 40 LYS CD . 6640 1 345 . 1 1 40 40 LYS CE C 13 41.94 0.05 . 1 . . . . 40 LYS CE . 6640 1 346 . 1 1 40 40 LYS N N 15 122.60 0.1 . 1 . . . . 40 LYS N . 6640 1 347 . 1 1 41 41 ILE H H 1 9.06 0.02 . 1 . . . . 41 ILE H . 6640 1 348 . 1 1 41 41 ILE HA H 1 4.73 0.02 . 1 . . . . 41 ILE HA . 6640 1 349 . 1 1 41 41 ILE HB H 1 1.64 0.02 . 1 . . . . 41 ILE HB . 6640 1 350 . 1 1 41 41 ILE HG12 H 1 1.33 0.02 . 2 . . . . 41 ILE HG12 . 6640 1 351 . 1 1 41 41 ILE HG13 H 1 0.93 0.02 . 2 . . . . 41 ILE HG13 . 6640 1 352 . 1 1 41 41 ILE HG21 H 1 0.77 0.02 . 1 . . . . 41 ILE HG2 . 6640 1 353 . 1 1 41 41 ILE HG22 H 1 0.77 0.02 . 1 . . . . 41 ILE HG2 . 6640 1 354 . 1 1 41 41 ILE HG23 H 1 0.77 0.02 . 1 . . . . 41 ILE HG2 . 6640 1 355 . 1 1 41 41 ILE C C 13 174.50 0.05 . 1 . . . . 41 ILE C . 6640 1 356 . 1 1 41 41 ILE CA C 13 59.73 0.05 . 1 . . . . 41 ILE CA . 6640 1 357 . 1 1 41 41 ILE CB C 13 41.22 0.05 . 1 . . . . 41 ILE CB . 6640 1 358 . 1 1 41 41 ILE CG1 C 13 27.35 0.05 . 1 . . . . 41 ILE CG1 . 6640 1 359 . 1 1 41 41 ILE CG2 C 13 18.23 0.05 . 1 . . . . 41 ILE CG2 . 6640 1 360 . 1 1 41 41 ILE N N 15 123.40 0.1 . 1 . . . . 41 ILE N . 6640 1 361 . 1 1 42 42 LEU H H 1 8.76 0.02 . 1 . . . . 42 LEU H . 6640 1 362 . 1 1 42 42 LEU HA H 1 5.27 0.02 . 1 . . . . 42 LEU HA . 6640 1 363 . 1 1 42 42 LEU HB2 H 1 1.58 0.02 . 2 . . . . 42 LEU HB2 . 6640 1 364 . 1 1 42 42 LEU HB3 H 1 1.29 0.02 . 2 . . . . 42 LEU HB3 . 6640 1 365 . 1 1 42 42 LEU HG H 1 1.45 0.02 . 1 . . . . 42 LEU HG . 6640 1 366 . 1 1 42 42 LEU HD11 H 1 0.66 0.02 . 2 . . . . 42 LEU HD1 . 6640 1 367 . 1 1 42 42 LEU HD12 H 1 0.66 0.02 . 2 . . . . 42 LEU HD1 . 6640 1 368 . 1 1 42 42 LEU HD13 H 1 0.66 0.02 . 2 . . . . 42 LEU HD1 . 6640 1 369 . 1 1 42 42 LEU HD21 H 1 0.69 0.02 . 2 . . . . 42 LEU HD2 . 6640 1 370 . 1 1 42 42 LEU HD22 H 1 0.69 0.02 . 2 . . . . 42 LEU HD2 . 6640 1 371 . 1 1 42 42 LEU HD23 H 1 0.69 0.02 . 2 . . . . 42 LEU HD2 . 6640 1 372 . 1 1 42 42 LEU C C 13 176.00 0.05 . 1 . . . . 42 LEU C . 6640 1 373 . 1 1 42 42 LEU CA C 13 53.36 0.05 . 1 . . . . 42 LEU CA . 6640 1 374 . 1 1 42 42 LEU CB C 13 43.54 0.05 . 1 . . . . 42 LEU CB . 6640 1 375 . 1 1 42 42 LEU CG C 13 27.06 0.05 . 1 . . . . 42 LEU CG . 6640 1 376 . 1 1 42 42 LEU CD1 C 13 24.75 0.05 . 2 . . . . 42 LEU CD1 . 6640 1 377 . 1 1 42 42 LEU CD2 C 13 24.16 0.05 . 2 . . . . 42 LEU CD2 . 6640 1 378 . 1 1 42 42 LEU N N 15 128.60 0.1 . 1 . . . . 42 LEU N . 6640 1 379 . 1 1 43 43 VAL H H 1 8.95 0.02 . 1 . . . . 43 VAL H . 6640 1 380 . 1 1 43 43 VAL HA H 1 4.75 0.02 . 1 . . . . 43 VAL HA . 6640 1 381 . 1 1 43 43 VAL HB H 1 1.84 0.02 . 1 . . . . 43 VAL HB . 6640 1 382 . 1 1 43 43 VAL HG11 H 1 1.07 0.02 . 2 . . . . 43 VAL HG1 . 6640 1 383 . 1 1 43 43 VAL HG12 H 1 1.07 0.02 . 2 . . . . 43 VAL HG1 . 6640 1 384 . 1 1 43 43 VAL HG13 H 1 1.07 0.02 . 2 . . . . 43 VAL HG1 . 6640 1 385 . 1 1 43 43 VAL HG21 H 1 0.93 0.02 . 2 . . . . 43 VAL HG2 . 6640 1 386 . 1 1 43 43 VAL HG22 H 1 0.93 0.02 . 2 . . . . 43 VAL HG2 . 6640 1 387 . 1 1 43 43 VAL HG23 H 1 0.93 0.02 . 2 . . . . 43 VAL HG2 . 6640 1 388 . 1 1 43 43 VAL C C 13 172.20 0.05 . 1 . . . . 43 VAL C . 6640 1 389 . 1 1 43 43 VAL CA C 13 55.55 0.05 . 1 . . . . 43 VAL CA . 6640 1 390 . 1 1 43 43 VAL CB C 13 35.44 0.05 . 1 . . . . 43 VAL CB . 6640 1 391 . 1 1 43 43 VAL N N 15 123.40 0.1 . 1 . . . . 43 VAL N . 6640 1 392 . 1 1 44 44 CYS H H 1 8.49 0.02 . 1 . . . . 44 CYS H . 6640 1 393 . 1 1 44 44 CYS HA H 1 5.80 0.02 . 1 . . . . 44 CYS HA . 6640 1 394 . 1 1 44 44 CYS HB2 H 1 3.67 0.02 . 1 . . . . 44 CYS HB2 . 6640 1 395 . 1 1 44 44 CYS HB3 H 1 3.67 0.02 . 1 . . . . 44 CYS HB3 . 6640 1 396 . 1 1 44 44 CYS C C 13 174.20 0.05 . 1 . . . . 44 CYS C . 6640 1 397 . 1 1 44 44 CYS CA C 13 54.80 0.05 . 1 . . . . 44 CYS CA . 6640 1 398 . 1 1 44 44 CYS CB C 13 46.63 0.05 . 1 . . . . 44 CYS CB . 6640 1 399 . 1 1 44 44 CYS N N 15 127.70 0.1 . 1 . . . . 44 CYS N . 6640 1 400 . 1 1 45 45 GLY H H 1 9.62 0.02 . 1 . . . . 45 GLY H . 6640 1 401 . 1 1 45 45 GLY HA2 H 1 4.83 0.02 . 2 . . . . 45 GLY HA2 . 6640 1 402 . 1 1 45 45 GLY HA3 H 1 3.96 0.02 . 2 . . . . 45 GLY HA3 . 6640 1 403 . 1 1 45 45 GLY C C 13 171.30 0.05 . 1 . . . . 45 GLY C . 6640 1 404 . 1 1 45 45 GLY CA C 13 44.40 0.05 . 1 . . . . 45 GLY CA . 6640 1 405 . 1 1 45 45 GLY N N 15 118.50 0.1 . 1 . . . . 45 GLY N . 6640 1 406 . 1 1 46 46 MET H H 1 8.71 0.02 . 1 . . . . 46 MET H . 6640 1 407 . 1 1 46 46 MET HA H 1 5.76 0.02 . 1 . . . . 46 MET HA . 6640 1 408 . 1 1 46 46 MET HB2 H 1 2.02 0.02 . 2 . . . . 46 MET HB2 . 6640 1 409 . 1 1 46 46 MET HB3 H 1 1.56 0.02 . 2 . . . . 46 MET HB3 . 6640 1 410 . 1 1 46 46 MET HG2 H 1 2.26 0.02 . 1 . . . . 46 MET HG2 . 6640 1 411 . 1 1 46 46 MET HG3 H 1 2.26 0.02 . 1 . . . . 46 MET HG3 . 6640 1 412 . 1 1 46 46 MET C C 13 174.90 0.05 . 1 . . . . 46 MET C . 6640 1 413 . 1 1 46 46 MET CA C 13 53.66 0.05 . 1 . . . . 46 MET CA . 6640 1 414 . 1 1 46 46 MET CB C 13 36.88 0.05 . 1 . . . . 46 MET CB . 6640 1 415 . 1 1 46 46 MET CG C 13 30.52 0.05 . 1 . . . . 46 MET CG . 6640 1 416 . 1 1 46 46 MET N N 15 118.70 0.1 . 1 . . . . 46 MET N . 6640 1 417 . 1 1 47 47 SER H H 1 8.38 0.02 . 1 . . . . 47 SER H . 6640 1 418 . 1 1 47 47 SER HA H 1 4.40 0.02 . 1 . . . . 47 SER HA . 6640 1 419 . 1 1 47 47 SER HB2 H 1 3.37 0.02 . 1 . . . . 47 SER HB2 . 6640 1 420 . 1 1 47 47 SER HB3 H 1 3.37 0.02 . 1 . . . . 47 SER HB3 . 6640 1 421 . 1 1 47 47 SER C C 13 173.50 0.05 . 1 . . . . 47 SER C . 6640 1 422 . 1 1 47 47 SER CA C 13 56.97 0.05 . 1 . . . . 47 SER CA . 6640 1 423 . 1 1 47 47 SER CB C 13 65.22 0.05 . 1 . . . . 47 SER CB . 6640 1 424 . 1 1 47 47 SER N N 15 113.80 0.1 . 1 . . . . 47 SER N . 6640 1 425 . 1 1 48 48 ASP H H 1 8.38 0.02 . 1 . . . . 48 ASP H . 6640 1 426 . 1 1 48 48 ASP HA H 1 4.88 0.02 . 1 . . . . 48 ASP HA . 6640 1 427 . 1 1 48 48 ASP HB2 H 1 2.71 0.02 . 2 . . . . 48 ASP HB2 . 6640 1 428 . 1 1 48 48 ASP HB3 H 1 2.48 0.02 . 2 . . . . 48 ASP HB3 . 6640 1 429 . 1 1 48 48 ASP C C 13 176.40 0.05 . 1 . . . . 48 ASP C . 6640 1 430 . 1 1 48 48 ASP CA C 13 55.09 0.05 . 1 . . . . 48 ASP CA . 6640 1 431 . 1 1 48 48 ASP CB C 13 40.35 0.05 . 1 . . . . 48 ASP CB . 6640 1 432 . 1 1 48 48 ASP N N 15 124.50 0.1 . 1 . . . . 48 ASP N . 6640 1 433 . 1 1 49 49 ILE H H 1 7.84 0.02 . 1 . . . . 49 ILE H . 6640 1 434 . 1 1 49 49 ILE HA H 1 3.88 0.02 . 1 . . . . 49 ILE HA . 6640 1 435 . 1 1 49 49 ILE HB H 1 1.46 0.02 . 1 . . . . 49 ILE HB . 6640 1 436 . 1 1 49 49 ILE HG12 H 1 1.26 0.02 . 1 . . . . 49 ILE HG12 . 6640 1 437 . 1 1 49 49 ILE HG13 H 1 1.26 0.02 . 1 . . . . 49 ILE HG13 . 6640 1 438 . 1 1 49 49 ILE HG21 H 1 0.73 0.02 . 1 . . . . 49 ILE HG2 . 6640 1 439 . 1 1 49 49 ILE HG22 H 1 0.73 0.02 . 1 . . . . 49 ILE HG2 . 6640 1 440 . 1 1 49 49 ILE HG23 H 1 0.73 0.02 . 1 . . . . 49 ILE HG2 . 6640 1 441 . 1 1 49 49 ILE C C 13 174.80 0.05 . 1 . . . . 49 ILE C . 6640 1 442 . 1 1 49 49 ILE CA C 13 62.03 0.05 . 1 . . . . 49 ILE CA . 6640 1 443 . 1 1 49 49 ILE CB C 13 38.33 0.05 . 1 . . . . 49 ILE CB . 6640 1 444 . 1 1 49 49 ILE CG1 C 13 29.52 0.05 . 1 . . . . 49 ILE CG1 . 6640 1 445 . 1 1 49 49 ILE CG2 C 13 16.65 0.05 . 1 . . . . 49 ILE CG2 . 6640 1 446 . 1 1 49 49 ILE CD1 C 13 14.79 0.05 . 1 . . . . 49 ILE CD1 . 6640 1 447 . 1 1 49 49 ILE N N 15 122.50 0.1 . 1 . . . . 49 ILE N . 6640 1 448 . 1 1 50 50 LEU H H 1 8.11 0.02 . 1 . . . . 50 LEU H . 6640 1 449 . 1 1 50 50 LEU HA H 1 4.52 0.02 . 1 . . . . 50 LEU HA . 6640 1 450 . 1 1 50 50 LEU HB2 H 1 1.57 0.02 . 1 . . . . 50 LEU HB2 . 6640 1 451 . 1 1 50 50 LEU HB3 H 1 1.57 0.02 . 1 . . . . 50 LEU HB3 . 6640 1 452 . 1 1 50 50 LEU HD11 H 1 0.81 0.02 . 2 . . . . 50 LEU HD1 . 6640 1 453 . 1 1 50 50 LEU HD12 H 1 0.81 0.02 . 2 . . . . 50 LEU HD1 . 6640 1 454 . 1 1 50 50 LEU HD13 H 1 0.81 0.02 . 2 . . . . 50 LEU HD1 . 6640 1 455 . 1 1 50 50 LEU C C 13 176.40 0.05 . 1 . . . . 50 LEU C . 6640 1 456 . 1 1 50 50 LEU CA C 13 53.65 0.05 . 1 . . . . 50 LEU CA . 6640 1 457 . 1 1 50 50 LEU CB C 13 42.67 0.05 . 1 . . . . 50 LEU CB . 6640 1 458 . 1 1 50 50 LEU CG C 13 26.76 0.05 . 1 . . . . 50 LEU CG . 6640 1 459 . 1 1 50 50 LEU CD1 C 13 24.75 0.05 . 2 . . . . 50 LEU CD1 . 6640 1 460 . 1 1 50 50 LEU CD2 C 13 24.01 0.05 . 2 . . . . 50 LEU CD2 . 6640 1 461 . 1 1 50 50 LEU N N 15 132.30 0.1 . 1 . . . . 50 LEU N . 6640 1 462 . 1 1 51 51 LEU H H 1 8.79 0.02 . 1 . . . . 51 LEU H . 6640 1 463 . 1 1 51 51 LEU HA H 1 3.87 0.02 . 1 . . . . 51 LEU HA . 6640 1 464 . 1 1 51 51 LEU HB2 H 1 1.53 0.02 . 1 . . . . 51 LEU HB2 . 6640 1 465 . 1 1 51 51 LEU HB3 H 1 1.53 0.02 . 1 . . . . 51 LEU HB3 . 6640 1 466 . 1 1 51 51 LEU HG H 1 1.69 0.02 . 1 . . . . 51 LEU HG . 6640 1 467 . 1 1 51 51 LEU HD11 H 1 0.77 0.02 . 1 . . . . 51 LEU HD1 . 6640 1 468 . 1 1 51 51 LEU HD12 H 1 0.77 0.02 . 1 . . . . 51 LEU HD1 . 6640 1 469 . 1 1 51 51 LEU HD13 H 1 0.77 0.02 . 1 . . . . 51 LEU HD1 . 6640 1 470 . 1 1 51 51 LEU HD21 H 1 0.77 0.02 . 1 . . . . 51 LEU HD2 . 6640 1 471 . 1 1 51 51 LEU HD22 H 1 0.77 0.02 . 1 . . . . 51 LEU HD2 . 6640 1 472 . 1 1 51 51 LEU HD23 H 1 0.77 0.02 . 1 . . . . 51 LEU HD2 . 6640 1 473 . 1 1 51 51 LEU C C 13 177.40 0.05 . 1 . . . . 51 LEU C . 6640 1 474 . 1 1 51 51 LEU CA C 13 56.66 0.05 . 1 . . . . 51 LEU CA . 6640 1 475 . 1 1 51 51 LEU CB C 13 40.36 0.05 . 1 . . . . 51 LEU CB . 6640 1 476 . 1 1 51 51 LEU CG C 13 26.92 0.05 . 1 . . . . 51 LEU CG . 6640 1 477 . 1 1 51 51 LEU CD1 C 13 24.89 0.05 . 2 . . . . 51 LEU CD1 . 6640 1 478 . 1 1 51 51 LEU CD2 C 13 22.86 0.05 . 2 . . . . 51 LEU CD2 . 6640 1 479 . 1 1 51 51 LEU N N 15 123.40 0.1 . 1 . . . . 51 LEU N . 6640 1 480 . 1 1 52 52 SER H H 1 8.19 0.02 . 1 . . . . 52 SER H . 6640 1 481 . 1 1 52 52 SER HA H 1 4.03 0.02 . 1 . . . . 52 SER HA . 6640 1 482 . 1 1 52 52 SER HB2 H 1 3.91 0.02 . 1 . . . . 52 SER HB2 . 6640 1 483 . 1 1 52 52 SER HB3 H 1 3.91 0.02 . 1 . . . . 52 SER HB3 . 6640 1 484 . 1 1 52 52 SER C C 13 174.20 0.05 . 1 . . . . 52 SER C . 6640 1 485 . 1 1 52 52 SER CA C 13 58.28 0.05 . 1 . . . . 52 SER CA . 6640 1 486 . 1 1 52 52 SER CB C 13 62.77 0.05 . 1 . . . . 52 SER CB . 6640 1 487 . 1 1 52 52 SER N N 15 110.40 0.1 . 1 . . . . 52 SER N . 6640 1 488 . 1 1 53 53 ASP H H 1 7.94 0.02 . 1 . . . . 53 ASP H . 6640 1 489 . 1 1 53 53 ASP HA H 1 4.84 0.02 . 1 . . . . 53 ASP HA . 6640 1 490 . 1 1 53 53 ASP HB2 H 1 2.95 0.02 . 2 . . . . 53 ASP HB2 . 6640 1 491 . 1 1 53 53 ASP HB3 H 1 2.52 0.02 . 2 . . . . 53 ASP HB3 . 6640 1 492 . 1 1 53 53 ASP C C 13 176.10 0.05 . 1 . . . . 53 ASP C . 6640 1 493 . 1 1 53 53 ASP CA C 13 52.78 0.05 . 1 . . . . 53 ASP CA . 6640 1 494 . 1 1 53 53 ASP CB C 13 40.05 0.05 . 1 . . . . 53 ASP CB . 6640 1 495 . 1 1 53 53 ASP N N 15 120.50 0.1 . 1 . . . . 53 ASP N . 6640 1 496 . 1 1 54 54 MET H H 1 9.12 0.02 . 1 . . . . 54 MET H . 6640 1 497 . 1 1 54 54 MET HA H 1 4.40 0.02 . 1 . . . . 54 MET HA . 6640 1 498 . 1 1 54 54 MET HB2 H 1 2.12 0.02 . 2 . . . . 54 MET HB2 . 6640 1 499 . 1 1 54 54 MET HB3 H 1 2.03 0.02 . 2 . . . . 54 MET HB3 . 6640 1 500 . 1 1 54 54 MET HG2 H 1 2.62 0.02 . 1 . . . . 54 MET HG2 . 6640 1 501 . 1 1 54 54 MET HG3 H 1 2.62 0.02 . 1 . . . . 54 MET HG3 . 6640 1 502 . 1 1 54 54 MET C C 13 178.40 0.05 . 1 . . . . 54 MET C . 6640 1 503 . 1 1 54 54 MET CA C 13 57.12 0.05 . 1 . . . . 54 MET CA . 6640 1 504 . 1 1 54 54 MET CB C 13 30.66 0.05 . 1 . . . . 54 MET CB . 6640 1 505 . 1 1 54 54 MET N N 15 127.70 0.1 . 1 . . . . 54 MET N . 6640 1 506 . 1 1 55 55 ASP H H 1 8.56 0.02 . 1 . . . . 55 ASP H . 6640 1 507 . 1 1 55 55 ASP HA H 1 4.44 0.02 . 1 . . . . 55 ASP HA . 6640 1 508 . 1 1 55 55 ASP HB2 H 1 2.79 0.02 . 2 . . . . 55 ASP HB2 . 6640 1 509 . 1 1 55 55 ASP HB3 H 1 2.69 0.02 . 2 . . . . 55 ASP HB3 . 6640 1 510 . 1 1 55 55 ASP C C 13 179.00 0.05 . 1 . . . . 55 ASP C . 6640 1 511 . 1 1 55 55 ASP CA C 13 57.41 0.05 . 1 . . . . 55 ASP CA . 6640 1 512 . 1 1 55 55 ASP CB C 13 39.49 0.05 . 1 . . . . 55 ASP CB . 6640 1 513 . 1 1 55 55 ASP N N 15 120.30 0.1 . 1 . . . . 55 ASP N . 6640 1 514 . 1 1 56 56 TYR H H 1 8.08 0.02 . 1 . . . . 56 TYR H . 6640 1 515 . 1 1 56 56 TYR HA H 1 4.24 0.02 . 1 . . . . 56 TYR HA . 6640 1 516 . 1 1 56 56 TYR HB2 H 1 3.12 0.02 . 2 . . . . 56 TYR HB2 . 6640 1 517 . 1 1 56 56 TYR HB3 H 1 2.94 0.02 . 2 . . . . 56 TYR HB3 . 6640 1 518 . 1 1 56 56 TYR HD1 H 1 6.92 0.02 . 1 . . . . 56 TYR HD1 . 6640 1 519 . 1 1 56 56 TYR HD2 H 1 6.92 0.02 . 1 . . . . 56 TYR HD2 . 6640 1 520 . 1 1 56 56 TYR HE1 H 1 6.66 0.02 . 1 . . . . 56 TYR HE1 . 6640 1 521 . 1 1 56 56 TYR HE2 H 1 6.66 0.02 . 1 . . . . 56 TYR HE2 . 6640 1 522 . 1 1 56 56 TYR C C 13 178.80 0.05 . 1 . . . . 56 TYR C . 6640 1 523 . 1 1 56 56 TYR CA C 13 60.47 0.05 . 1 . . . . 56 TYR CA . 6640 1 524 . 1 1 56 56 TYR CB C 13 38.33 0.05 . 1 . . . . 56 TYR CB . 6640 1 525 . 1 1 56 56 TYR CD1 C 13 133.00 0.05 . 1 . . . . 56 TYR CD1 . 6640 1 526 . 1 1 56 56 TYR CD2 C 13 133.00 0.05 . 1 . . . . 56 TYR CD2 . 6640 1 527 . 1 1 56 56 TYR CE1 C 13 118.10 0.05 . 1 . . . . 56 TYR CE1 . 6640 1 528 . 1 1 56 56 TYR CE2 C 13 118.10 0.05 . 1 . . . . 56 TYR CE2 . 6640 1 529 . 1 1 56 56 TYR N N 15 122.80 0.1 . 1 . . . . 56 TYR N . 6640 1 530 . 1 1 57 57 SER H H 1 7.97 0.02 . 1 . . . . 57 SER H . 6640 1 531 . 1 1 57 57 SER HA H 1 4.40 0.02 . 1 . . . . 57 SER HA . 6640 1 532 . 1 1 57 57 SER HB2 H 1 4.15 0.02 . 1 . . . . 57 SER HB2 . 6640 1 533 . 1 1 57 57 SER HB3 H 1 4.15 0.02 . 1 . . . . 57 SER HB3 . 6640 1 534 . 1 1 57 57 SER C C 13 175.80 0.05 . 1 . . . . 57 SER C . 6640 1 535 . 1 1 57 57 SER CA C 13 60.30 0.05 . 1 . . . . 57 SER CA . 6640 1 536 . 1 1 57 57 SER CB C 13 62.68 0.05 . 1 . . . . 57 SER CB . 6640 1 537 . 1 1 57 57 SER N N 15 118.50 0.1 . 1 . . . . 57 SER N . 6640 1 538 . 1 1 58 58 LEU H H 1 8.57 0.02 . 1 . . . . 58 LEU H . 6640 1 539 . 1 1 58 58 LEU HA H 1 3.84 0.02 . 1 . . . . 58 LEU HA . 6640 1 540 . 1 1 58 58 LEU HB2 H 1 1.88 0.02 . 2 . . . . 58 LEU HB2 . 6640 1 541 . 1 1 58 58 LEU HB3 H 1 1.45 0.02 . 2 . . . . 58 LEU HB3 . 6640 1 542 . 1 1 58 58 LEU HG H 1 1.61 0.02 . 1 . . . . 58 LEU HG . 6640 1 543 . 1 1 58 58 LEU HD11 H 1 0.85 0.02 . 2 . . . . 58 LEU HD1 . 6640 1 544 . 1 1 58 58 LEU HD12 H 1 0.85 0.02 . 2 . . . . 58 LEU HD1 . 6640 1 545 . 1 1 58 58 LEU HD13 H 1 0.85 0.02 . 2 . . . . 58 LEU HD1 . 6640 1 546 . 1 1 58 58 LEU HD21 H 1 0.74 0.02 . 2 . . . . 58 LEU HD2 . 6640 1 547 . 1 1 58 58 LEU HD22 H 1 0.74 0.02 . 2 . . . . 58 LEU HD2 . 6640 1 548 . 1 1 58 58 LEU HD23 H 1 0.74 0.02 . 2 . . . . 58 LEU HD2 . 6640 1 549 . 1 1 58 58 LEU C C 13 179.50 0.05 . 1 . . . . 58 LEU C . 6640 1 550 . 1 1 58 58 LEU CA C 13 58.56 0.05 . 1 . . . . 58 LEU CA . 6640 1 551 . 1 1 58 58 LEU CB C 13 41.79 0.05 . 1 . . . . 58 LEU CB . 6640 1 552 . 1 1 58 58 LEU CG C 13 27.62 0.05 . 1 . . . . 58 LEU CG . 6640 1 553 . 1 1 58 58 LEU CD1 C 13 25.04 0.05 . 2 . . . . 58 LEU CD1 . 6640 1 554 . 1 1 58 58 LEU CD2 C 13 23.59 0.05 . 2 . . . . 58 LEU CD2 . 6640 1 555 . 1 1 58 58 LEU N N 15 123.90 0.1 . 1 . . . . 58 LEU N . 6640 1 556 . 1 1 59 59 SER H H 1 8.12 0.02 . 1 . . . . 59 SER H . 6640 1 557 . 1 1 59 59 SER HA H 1 4.23 0.02 . 1 . . . . 59 SER HA . 6640 1 558 . 1 1 59 59 SER HB2 H 1 3.91 0.02 . 1 . . . . 59 SER HB2 . 6640 1 559 . 1 1 59 59 SER HB3 H 1 3.91 0.02 . 1 . . . . 59 SER HB3 . 6640 1 560 . 1 1 59 59 SER C C 13 177.60 0.05 . 1 . . . . 59 SER C . 6640 1 561 . 1 1 59 59 SER CA C 13 61.74 0.05 . 1 . . . . 59 SER CA . 6640 1 562 . 1 1 59 59 SER CB C 13 62.61 0.05 . 1 . . . . 59 SER CB . 6640 1 563 . 1 1 59 59 SER N N 15 116.20 0.1 . 1 . . . . 59 SER N . 6640 1 564 . 1 1 60 60 SER H H 1 8.21 0.02 . 1 . . . . 60 SER H . 6640 1 565 . 1 1 60 60 SER HA H 1 4.07 0.02 . 1 . . . . 60 SER HA . 6640 1 566 . 1 1 60 60 SER HB2 H 1 3.82 0.02 . 1 . . . . 60 SER HB2 . 6640 1 567 . 1 1 60 60 SER HB3 H 1 3.82 0.02 . 1 . . . . 60 SER HB3 . 6640 1 568 . 1 1 60 60 SER C C 13 177.00 0.05 . 1 . . . . 60 SER C . 6640 1 569 . 1 1 60 60 SER CA C 13 61.45 0.05 . 1 . . . . 60 SER CA . 6640 1 570 . 1 1 60 60 SER CB C 13 62.33 0.05 . 1 . . . . 60 SER CB . 6640 1 571 . 1 1 60 60 SER N N 15 119.30 0.1 . 1 . . . . 60 SER N . 6640 1 572 . 1 1 61 61 ALA H H 1 8.17 0.02 . 1 . . . . 61 ALA H . 6640 1 573 . 1 1 61 61 ALA HA H 1 3.77 0.02 . 1 . . . . 61 ALA HA . 6640 1 574 . 1 1 61 61 ALA HB1 H 1 1.31 0.02 . 1 . . . . 61 ALA HB . 6640 1 575 . 1 1 61 61 ALA HB2 H 1 1.31 0.02 . 1 . . . . 61 ALA HB . 6640 1 576 . 1 1 61 61 ALA HB3 H 1 1.31 0.02 . 1 . . . . 61 ALA HB . 6640 1 577 . 1 1 61 61 ALA C C 13 177.70 0.05 . 1 . . . . 61 ALA C . 6640 1 578 . 1 1 61 61 ALA CA C 13 55.24 0.05 . 1 . . . . 61 ALA CA . 6640 1 579 . 1 1 61 61 ALA CB C 13 18.11 0.05 . 1 . . . . 61 ALA CB . 6640 1 580 . 1 1 61 61 ALA N N 15 126.60 0.1 . 1 . . . . 61 ALA N . 6640 1 581 . 1 1 62 62 ARG H H 1 8.09 0.02 . 1 . . . . 62 ARG H . 6640 1 582 . 1 1 62 62 ARG HA H 1 3.73 0.02 . 1 . . . . 62 ARG HA . 6640 1 583 . 1 1 62 62 ARG HB2 H 1 2.13 0.02 . 2 . . . . 62 ARG HB2 . 6640 1 584 . 1 1 62 62 ARG HB3 H 1 1.94 0.02 . 2 . . . . 62 ARG HB3 . 6640 1 585 . 1 1 62 62 ARG HG2 H 1 1.73 0.02 . 2 . . . . 62 ARG HG2 . 6640 1 586 . 1 1 62 62 ARG HG3 H 1 1.42 0.02 . 2 . . . . 62 ARG HG3 . 6640 1 587 . 1 1 62 62 ARG C C 13 177.80 0.05 . 1 . . . . 62 ARG C . 6640 1 588 . 1 1 62 62 ARG CA C 13 60.01 0.05 . 1 . . . . 62 ARG CA . 6640 1 589 . 1 1 62 62 ARG CB C 13 29.84 0.05 . 1 . . . . 62 ARG CB . 6640 1 590 . 1 1 62 62 ARG CG C 13 28.27 0.05 . 1 . . . . 62 ARG CG . 6640 1 591 . 1 1 62 62 ARG CD C 13 43.54 0.05 . 1 . . . . 62 ARG CD . 6640 1 592 . 1 1 62 62 ARG N N 15 119.20 0.1 . 1 . . . . 62 ARG N . 6640 1 593 . 1 1 63 63 GLN H H 1 8.11 0.02 . 1 . . . . 63 GLN H . 6640 1 594 . 1 1 63 63 GLN HA H 1 3.95 0.02 . 1 . . . . 63 GLN HA . 6640 1 595 . 1 1 63 63 GLN HB2 H 1 2.16 0.02 . 1 . . . . 63 GLN HB2 . 6640 1 596 . 1 1 63 63 GLN HB3 H 1 2.16 0.02 . 1 . . . . 63 GLN HB3 . 6640 1 597 . 1 1 63 63 GLN HG2 H 1 2.43 0.02 . 1 . . . . 63 GLN HG2 . 6640 1 598 . 1 1 63 63 GLN HG3 H 1 2.43 0.02 . 1 . . . . 63 GLN HG3 . 6640 1 599 . 1 1 63 63 GLN HE21 H 1 7.44 0.02 . 1 . . . . 63 GLN HE21 . 6640 1 600 . 1 1 63 63 GLN HE22 H 1 6.98 0.02 . 1 . . . . 63 GLN HE22 . 6640 1 601 . 1 1 63 63 GLN C C 13 177.80 0.05 . 1 . . . . 63 GLN C . 6640 1 602 . 1 1 63 63 GLN CA C 13 58.57 0.05 . 1 . . . . 63 GLN CA . 6640 1 603 . 1 1 63 63 GLN CB C 13 27.64 0.05 . 1 . . . . 63 GLN CB . 6640 1 604 . 1 1 63 63 GLN CG C 13 33.27 0.05 . 1 . . . . 63 GLN CG . 6640 1 605 . 1 1 63 63 GLN N N 15 119.30 0.1 . 1 . . . . 63 GLN N . 6640 1 606 . 1 1 63 63 GLN NE2 N 15 112.10 0.1 . 1 . . . . 63 GLN NE2 . 6640 1 607 . 1 1 64 64 ASN H H 1 8.09 0.02 . 1 . . . . 64 ASN H . 6640 1 608 . 1 1 64 64 ASN HA H 1 4.45 0.02 . 1 . . . . 64 ASN HA . 6640 1 609 . 1 1 64 64 ASN HB2 H 1 3.07 0.02 . 1 . . . . 64 ASN HB2 . 6640 1 610 . 1 1 64 64 ASN HB3 H 1 3.07 0.02 . 1 . . . . 64 ASN HB3 . 6640 1 611 . 1 1 64 64 ASN HD21 H 1 7.88 0.02 . 1 . . . . 64 ASN HD21 . 6640 1 612 . 1 1 64 64 ASN HD22 H 1 6.75 0.02 . 1 . . . . 64 ASN HD22 . 6640 1 613 . 1 1 64 64 ASN C C 13 177.00 0.05 . 1 . . . . 64 ASN C . 6640 1 614 . 1 1 64 64 ASN CA C 13 57.12 0.05 . 1 . . . . 64 ASN CA . 6640 1 615 . 1 1 64 64 ASN CB C 13 40.07 0.05 . 1 . . . . 64 ASN CB . 6640 1 616 . 1 1 64 64 ASN N N 15 119.90 0.1 . 1 . . . . 64 ASN N . 6640 1 617 . 1 1 64 64 ASN ND2 N 15 112.10 0.1 . 1 . . . . 64 ASN ND2 . 6640 1 618 . 1 1 65 65 ALA H H 1 7.69 0.02 . 1 . . . . 65 ALA H . 6640 1 619 . 1 1 65 65 ALA HA H 1 3.99 0.02 . 1 . . . . 65 ALA HA . 6640 1 620 . 1 1 65 65 ALA HB1 H 1 1.34 0.02 . 1 . . . . 65 ALA HB . 6640 1 621 . 1 1 65 65 ALA HB2 H 1 1.34 0.02 . 1 . . . . 65 ALA HB . 6640 1 622 . 1 1 65 65 ALA HB3 H 1 1.34 0.02 . 1 . . . . 65 ALA HB . 6640 1 623 . 1 1 65 65 ALA C C 13 178.70 0.05 . 1 . . . . 65 ALA C . 6640 1 624 . 1 1 65 65 ALA CA C 13 55.10 0.05 . 1 . . . . 65 ALA CA . 6640 1 625 . 1 1 65 65 ALA CB C 13 18.11 0.05 . 1 . . . . 65 ALA CB . 6640 1 626 . 1 1 65 65 ALA N N 15 121.50 0.1 . 1 . . . . 65 ALA N . 6640 1 627 . 1 1 66 66 LEU H H 1 7.96 0.02 . 1 . . . . 66 LEU H . 6640 1 628 . 1 1 66 66 LEU HA H 1 3.81 0.02 . 1 . . . . 66 LEU HA . 6640 1 629 . 1 1 66 66 LEU HB2 H 1 1.72 0.02 . 2 . . . . 66 LEU HB2 . 6640 1 630 . 1 1 66 66 LEU HB3 H 1 1.53 0.02 . 2 . . . . 66 LEU HB3 . 6640 1 631 . 1 1 66 66 LEU HD11 H 1 0.79 0.02 . 1 . . . . 66 LEU HD1 . 6640 1 632 . 1 1 66 66 LEU HD12 H 1 0.79 0.02 . 1 . . . . 66 LEU HD1 . 6640 1 633 . 1 1 66 66 LEU HD13 H 1 0.79 0.02 . 1 . . . . 66 LEU HD1 . 6640 1 634 . 1 1 66 66 LEU HD21 H 1 0.79 0.02 . 1 . . . . 66 LEU HD2 . 6640 1 635 . 1 1 66 66 LEU HD22 H 1 0.79 0.02 . 1 . . . . 66 LEU HD2 . 6640 1 636 . 1 1 66 66 LEU HD23 H 1 0.79 0.02 . 1 . . . . 66 LEU HD2 . 6640 1 637 . 1 1 66 66 LEU C C 13 179.50 0.05 . 1 . . . . 66 LEU C . 6640 1 638 . 1 1 66 66 LEU CA C 13 57.88 0.05 . 1 . . . . 66 LEU CA . 6640 1 639 . 1 1 66 66 LEU CB C 13 41.52 0.05 . 1 . . . . 66 LEU CB . 6640 1 640 . 1 1 66 66 LEU CG C 13 26.91 0.05 . 1 . . . . 66 LEU CG . 6640 1 641 . 1 1 66 66 LEU CD1 C 13 24.61 0.05 . 2 . . . . 66 LEU CD1 . 6640 1 642 . 1 1 66 66 LEU CD2 C 13 23.81 0.05 . 2 . . . . 66 LEU CD2 . 6640 1 643 . 1 1 66 66 LEU N N 15 117.40 0.1 . 1 . . . . 66 LEU N . 6640 1 644 . 1 1 67 67 GLU H H 1 8.67 0.02 . 1 . . . . 67 GLU H . 6640 1 645 . 1 1 67 67 GLU HA H 1 3.99 0.02 . 1 . . . . 67 GLU HA . 6640 1 646 . 1 1 67 67 GLU HB2 H 1 2.19 0.02 . 2 . . . . 67 GLU HB2 . 6640 1 647 . 1 1 67 67 GLU HB3 H 1 2.11 0.02 . 2 . . . . 67 GLU HB3 . 6640 1 648 . 1 1 67 67 GLU HG2 H 1 2.51 0.02 . 1 . . . . 67 GLU HG2 . 6640 1 649 . 1 1 67 67 GLU HG3 H 1 2.51 0.02 . 1 . . . . 67 GLU HG3 . 6640 1 650 . 1 1 67 67 GLU C C 13 178.90 0.05 . 1 . . . . 67 GLU C . 6640 1 651 . 1 1 67 67 GLU CA C 13 58.86 0.05 . 1 . . . . 67 GLU CA . 6640 1 652 . 1 1 67 67 GLU CB C 13 27.92 0.05 . 1 . . . . 67 GLU CB . 6640 1 653 . 1 1 67 67 GLU CG C 13 34.14 0.05 . 1 . . . . 67 GLU CG . 6640 1 654 . 1 1 67 67 GLU N N 15 119.40 0.1 . 1 . . . . 67 GLU N . 6640 1 655 . 1 1 68 68 LYS H H 1 7.66 0.02 . 1 . . . . 68 LYS H . 6640 1 656 . 1 1 68 68 LYS HA H 1 4.02 0.02 . 1 . . . . 68 LYS HA . 6640 1 657 . 1 1 68 68 LYS HB2 H 1 1.81 0.02 . 2 . . . . 68 LYS HB2 . 6640 1 658 . 1 1 68 68 LYS HB3 H 1 2.10 0.02 . 2 . . . . 68 LYS HB3 . 6640 1 659 . 1 1 68 68 LYS HG2 H 1 1.46 0.02 . 1 . . . . 68 LYS HG2 . 6640 1 660 . 1 1 68 68 LYS HG3 H 1 1.46 0.02 . 1 . . . . 68 LYS HG3 . 6640 1 661 . 1 1 68 68 LYS HE2 H 1 3.03 0.02 . 1 . . . . 68 LYS HE2 . 6640 1 662 . 1 1 68 68 LYS HE3 H 1 3.03 0.02 . 1 . . . . 68 LYS HE3 . 6640 1 663 . 1 1 68 68 LYS C C 13 180.20 0.05 . 1 . . . . 68 LYS C . 6640 1 664 . 1 1 68 68 LYS CA C 13 59.89 0.05 . 1 . . . . 68 LYS CA . 6640 1 665 . 1 1 68 68 LYS CB C 13 32.26 0.05 . 1 . . . . 68 LYS CB . 6640 1 666 . 1 1 68 68 LYS CG C 13 25.40 0.05 . 1 . . . . 68 LYS CG . 6640 1 667 . 1 1 68 68 LYS CD C 13 26.77 0.05 . 1 . . . . 68 LYS CD . 6640 1 668 . 1 1 68 68 LYS CE C 13 43.39 0.05 . 1 . . . . 68 LYS CE . 6640 1 669 . 1 1 68 68 LYS N N 15 119.20 0.1 . 1 . . . . 68 LYS N . 6640 1 670 . 1 1 69 69 VAL H H 1 7.56 0.02 . 1 . . . . 69 VAL H . 6640 1 671 . 1 1 69 69 VAL HA H 1 3.77 0.02 . 1 . . . . 69 VAL HA . 6640 1 672 . 1 1 69 69 VAL HB H 1 2.27 0.02 . 1 . . . . 69 VAL HB . 6640 1 673 . 1 1 69 69 VAL HG11 H 1 1.10 0.02 . 2 . . . . 69 VAL HG1 . 6640 1 674 . 1 1 69 69 VAL HG12 H 1 1.10 0.02 . 2 . . . . 69 VAL HG1 . 6640 1 675 . 1 1 69 69 VAL HG13 H 1 1.10 0.02 . 2 . . . . 69 VAL HG1 . 6640 1 676 . 1 1 69 69 VAL HG21 H 1 0.96 0.02 . 2 . . . . 69 VAL HG2 . 6640 1 677 . 1 1 69 69 VAL HG22 H 1 0.96 0.02 . 2 . . . . 69 VAL HG2 . 6640 1 678 . 1 1 69 69 VAL HG23 H 1 0.96 0.02 . 2 . . . . 69 VAL HG2 . 6640 1 679 . 1 1 69 69 VAL C C 13 177.10 0.05 . 1 . . . . 69 VAL C . 6640 1 680 . 1 1 69 69 VAL CA C 13 65.80 0.05 . 1 . . . . 69 VAL CA . 6640 1 681 . 1 1 69 69 VAL CB C 13 31.38 0.05 . 1 . . . . 69 VAL CB . 6640 1 682 . 1 1 69 69 VAL CG1 C 13 23.87 0.05 . 2 . . . . 69 VAL CG1 . 6640 1 683 . 1 1 69 69 VAL CG2 C 13 22.15 0.05 . 2 . . . . 69 VAL CG2 . 6640 1 684 . 1 1 69 69 VAL N N 15 119.70 0.1 . 1 . . . . 69 VAL N . 6640 1 685 . 1 1 70 70 MET H H 1 8.28 0.02 . 1 . . . . 70 MET H . 6640 1 686 . 1 1 70 70 MET HA H 1 4.08 0.02 . 1 . . . . 70 MET HA . 6640 1 687 . 1 1 70 70 MET HB2 H 1 2.11 0.02 . 1 . . . . 70 MET HB2 . 6640 1 688 . 1 1 70 70 MET HB3 H 1 2.11 0.02 . 1 . . . . 70 MET HB3 . 6640 1 689 . 1 1 70 70 MET HG2 H 1 2.70 0.02 . 2 . . . . 70 MET HG2 . 6640 1 690 . 1 1 70 70 MET HG3 H 1 2.58 0.02 . 2 . . . . 70 MET HG3 . 6640 1 691 . 1 1 70 70 MET C C 13 179.20 0.05 . 1 . . . . 70 MET C . 6640 1 692 . 1 1 70 70 MET CA C 13 58.56 0.05 . 1 . . . . 70 MET CA . 6640 1 693 . 1 1 70 70 MET CB C 13 31.83 0.05 . 1 . . . . 70 MET CB . 6640 1 694 . 1 1 70 70 MET N N 15 119.30 0.1 . 1 . . . . 70 MET N . 6640 1 695 . 1 1 71 71 GLU H H 1 8.01 0.02 . 1 . . . . 71 GLU H . 6640 1 696 . 1 1 71 71 GLU HA H 1 4.07 0.02 . 1 . . . . 71 GLU HA . 6640 1 697 . 1 1 71 71 GLU HB2 H 1 2.05 0.02 . 1 . . . . 71 GLU HB2 . 6640 1 698 . 1 1 71 71 GLU HB3 H 1 2.05 0.02 . 1 . . . . 71 GLU HB3 . 6640 1 699 . 1 1 71 71 GLU HG2 H 1 2.46 0.02 . 2 . . . . 71 GLU HG2 . 6640 1 700 . 1 1 71 71 GLU HG3 H 1 2.52 0.02 . 2 . . . . 71 GLU HG3 . 6640 1 701 . 1 1 71 71 GLU C C 13 178.10 0.05 . 1 . . . . 71 GLU C . 6640 1 702 . 1 1 71 71 GLU CA C 13 58.15 0.05 . 1 . . . . 71 GLU CA . 6640 1 703 . 1 1 71 71 GLU CB C 13 28.51 0.05 . 1 . . . . 71 GLU CB . 6640 1 704 . 1 1 71 71 GLU CG C 13 34.29 0.05 . 1 . . . . 71 GLU CG . 6640 1 705 . 1 1 71 71 GLU N N 15 117.10 0.1 . 1 . . . . 71 GLU N . 6640 1 706 . 1 1 72 72 ALA H H 1 7.55 0.02 . 1 . . . . 72 ALA H . 6640 1 707 . 1 1 72 72 ALA HA H 1 4.05 0.02 . 1 . . . . 72 ALA HA . 6640 1 708 . 1 1 72 72 ALA HB1 H 1 1.12 0.02 . 1 . . . . 72 ALA HB . 6640 1 709 . 1 1 72 72 ALA HB2 H 1 1.12 0.02 . 1 . . . . 72 ALA HB . 6640 1 710 . 1 1 72 72 ALA HB3 H 1 1.12 0.02 . 1 . . . . 72 ALA HB . 6640 1 711 . 1 1 72 72 ALA C C 13 178.40 0.05 . 1 . . . . 72 ALA C . 6640 1 712 . 1 1 72 72 ALA CA C 13 53.95 0.05 . 1 . . . . 72 ALA CA . 6640 1 713 . 1 1 72 72 ALA CB C 13 18.68 0.05 . 1 . . . . 72 ALA CB . 6640 1 714 . 1 1 72 72 ALA N N 15 121.60 0.1 . 1 . . . . 72 ALA N . 6640 1 715 . 1 1 73 73 PHE H H 1 7.58 0.02 . 1 . . . . 73 PHE H . 6640 1 716 . 1 1 73 73 PHE HA H 1 4.75 0.02 . 1 . . . . 73 PHE HA . 6640 1 717 . 1 1 73 73 PHE HB2 H 1 2.68 0.02 . 1 . . . . 73 PHE HB2 . 6640 1 718 . 1 1 73 73 PHE HB3 H 1 2.68 0.02 . 1 . . . . 73 PHE HB3 . 6640 1 719 . 1 1 73 73 PHE HD1 H 1 7.29 0.02 . 1 . . . . 73 PHE HD1 . 6640 1 720 . 1 1 73 73 PHE HD2 H 1 7.29 0.02 . 1 . . . . 73 PHE HD2 . 6640 1 721 . 1 1 73 73 PHE HZ H 1 7.29 0.02 . 1 . . . . 73 PHE HZ . 6640 1 722 . 1 1 73 73 PHE C C 13 175.40 0.05 . 1 . . . . 73 PHE C . 6640 1 723 . 1 1 73 73 PHE CA C 13 56.54 0.05 . 1 . . . . 73 PHE CA . 6640 1 724 . 1 1 73 73 PHE CB C 13 38.53 0.05 . 1 . . . . 73 PHE CB . 6640 1 725 . 1 1 73 73 PHE CD1 C 13 132.40 0.05 . 1 . . . . 73 PHE CD1 . 6640 1 726 . 1 1 73 73 PHE CD2 C 13 132.40 0.05 . 1 . . . . 73 PHE CD2 . 6640 1 727 . 1 1 73 73 PHE CZ C 13 128.00 0.05 . 1 . . . . 73 PHE CZ . 6640 1 728 . 1 1 73 73 PHE N N 15 116.00 0.1 . 1 . . . . 73 PHE N . 6640 1 729 . 1 1 74 74 LYS H H 1 7.38 0.02 . 1 . . . . 74 LYS H . 6640 1 730 . 1 1 74 74 LYS HA H 1 4.15 0.02 . 1 . . . . 74 LYS HA . 6640 1 731 . 1 1 74 74 LYS HB2 H 1 1.86 0.02 . 1 . . . . 74 LYS HB2 . 6640 1 732 . 1 1 74 74 LYS HB3 H 1 1.86 0.02 . 1 . . . . 74 LYS HB3 . 6640 1 733 . 1 1 74 74 LYS HG2 H 1 1.45 0.02 . 1 . . . . 74 LYS HG2 . 6640 1 734 . 1 1 74 74 LYS HG3 H 1 1.45 0.02 . 1 . . . . 74 LYS HG3 . 6640 1 735 . 1 1 74 74 LYS HD2 H 1 1.67 0.02 . 1 . . . . 74 LYS HD2 . 6640 1 736 . 1 1 74 74 LYS HD3 H 1 1.67 0.02 . 1 . . . . 74 LYS HD3 . 6640 1 737 . 1 1 74 74 LYS HE2 H 1 2.98 0.02 . 1 . . . . 74 LYS HE2 . 6640 1 738 . 1 1 74 74 LYS HE3 H 1 2.98 0.02 . 1 . . . . 74 LYS HE3 . 6640 1 739 . 1 1 74 74 LYS C C 13 177.70 0.05 . 1 . . . . 74 LYS C . 6640 1 740 . 1 1 74 74 LYS CA C 13 58.28 0.05 . 1 . . . . 74 LYS CA . 6640 1 741 . 1 1 74 74 LYS CB C 13 32.11 0.05 . 1 . . . . 74 LYS CB . 6640 1 742 . 1 1 74 74 LYS CG C 13 24.31 0.05 . 1 . . . . 74 LYS CG . 6640 1 743 . 1 1 74 74 LYS CD C 13 29.24 0.05 . 1 . . . . 74 LYS CD . 6640 1 744 . 1 1 74 74 LYS N N 15 121.80 0.1 . 1 . . . . 74 LYS N . 6640 1 745 . 1 1 75 75 GLY H H 1 8.75 0.02 . 1 . . . . 75 GLY H . 6640 1 746 . 1 1 75 75 GLY HA2 H 1 4.07 0.02 . 2 . . . . 75 GLY HA2 . 6640 1 747 . 1 1 75 75 GLY HA3 H 1 3.88 0.02 . 2 . . . . 75 GLY HA3 . 6640 1 748 . 1 1 75 75 GLY C C 13 174.10 0.05 . 1 . . . . 75 GLY C . 6640 1 749 . 1 1 75 75 GLY CA C 13 45.27 0.05 . 1 . . . . 75 GLY CA . 6640 1 750 . 1 1 75 75 GLY N N 15 112.00 0.1 . 1 . . . . 75 GLY N . 6640 1 751 . 1 1 76 76 ASP H H 1 8.01 0.02 . 1 . . . . 76 ASP H . 6640 1 752 . 1 1 76 76 ASP HA H 1 4.81 0.02 . 1 . . . . 76 ASP HA . 6640 1 753 . 1 1 76 76 ASP HB2 H 1 2.74 0.02 . 1 . . . . 76 ASP HB2 . 6640 1 754 . 1 1 76 76 ASP HB3 H 1 2.74 0.02 . 1 . . . . 76 ASP HB3 . 6640 1 755 . 1 1 76 76 ASP C C 13 175.50 0.05 . 1 . . . . 76 ASP C . 6640 1 756 . 1 1 76 76 ASP CA C 13 53.22 0.05 . 1 . . . . 76 ASP CA . 6640 1 757 . 1 1 76 76 ASP CB C 13 40.93 0.05 . 1 . . . . 76 ASP CB . 6640 1 758 . 1 1 76 76 ASP N N 15 120.40 0.1 . 1 . . . . 76 ASP N . 6640 1 759 . 1 1 77 77 ARG H H 1 8.57 0.02 . 1 . . . . 77 ARG H . 6640 1 760 . 1 1 77 77 ARG HA H 1 4.28 0.02 . 1 . . . . 77 ARG HA . 6640 1 761 . 1 1 77 77 ARG HB2 H 1 1.83 0.02 . 1 . . . . 77 ARG HB2 . 6640 1 762 . 1 1 77 77 ARG HB3 H 1 1.83 0.02 . 1 . . . . 77 ARG HB3 . 6640 1 763 . 1 1 77 77 ARG HG2 H 1 1.56 0.02 . 1 . . . . 77 ARG HG2 . 6640 1 764 . 1 1 77 77 ARG HG3 H 1 1.56 0.02 . 1 . . . . 77 ARG HG3 . 6640 1 765 . 1 1 77 77 ARG HD2 H 1 3.11 0.02 . 1 . . . . 77 ARG HD2 . 6640 1 766 . 1 1 77 77 ARG HD3 H 1 3.11 0.02 . 1 . . . . 77 ARG HD3 . 6640 1 767 . 1 1 77 77 ARG C C 13 175.50 0.05 . 1 . . . . 77 ARG C . 6640 1 768 . 1 1 77 77 ARG CA C 13 56.25 0.05 . 1 . . . . 77 ARG CA . 6640 1 769 . 1 1 77 77 ARG CB C 13 29.08 0.05 . 1 . . . . 77 ARG CB . 6640 1 770 . 1 1 77 77 ARG CG C 13 27.05 0.05 . 1 . . . . 77 ARG CG . 6640 1 771 . 1 1 77 77 ARG CD C 13 43.11 0.05 . 1 . . . . 77 ARG CD . 6640 1 772 . 1 1 77 77 ARG N N 15 121.80 0.1 . 1 . . . . 77 ARG N . 6640 1 773 . 1 1 78 78 ILE H H 1 8.00 0.02 . 1 . . . . 78 ILE H . 6640 1 774 . 1 1 78 78 ILE HA H 1 4.44 0.02 . 1 . . . . 78 ILE HA . 6640 1 775 . 1 1 78 78 ILE HB H 1 1.64 0.02 . 1 . . . . 78 ILE HB . 6640 1 776 . 1 1 78 78 ILE HG12 H 1 1.26 0.02 . 1 . . . . 78 ILE HG12 . 6640 1 777 . 1 1 78 78 ILE HG13 H 1 1.26 0.02 . 1 . . . . 78 ILE HG13 . 6640 1 778 . 1 1 78 78 ILE HD11 H 1 0.60 0.02 . 1 . . . . 78 ILE HD1 . 6640 1 779 . 1 1 78 78 ILE HD12 H 1 0.60 0.02 . 1 . . . . 78 ILE HD1 . 6640 1 780 . 1 1 78 78 ILE HD13 H 1 0.60 0.02 . 1 . . . . 78 ILE HD1 . 6640 1 781 . 1 1 78 78 ILE C C 13 175.30 0.05 . 1 . . . . 78 ILE C . 6640 1 782 . 1 1 78 78 ILE CA C 13 59.44 0.05 . 1 . . . . 78 ILE CA . 6640 1 783 . 1 1 78 78 ILE CB C 13 39.78 0.05 . 1 . . . . 78 ILE CB . 6640 1 784 . 1 1 78 78 ILE CG1 C 13 27.10 0.05 . 1 . . . . 78 ILE CG1 . 6640 1 785 . 1 1 78 78 ILE CG2 C 13 17.81 0.05 . 1 . . . . 78 ILE CG2 . 6640 1 786 . 1 1 78 78 ILE CD1 C 13 10.73 0.05 . 1 . . . . 78 ILE CD1 . 6640 1 787 . 1 1 78 78 ILE N N 15 121.30 0.1 . 1 . . . . 78 ILE N . 6640 1 788 . 1 1 79 79 GLU H H 1 8.53 0.02 . 1 . . . . 79 GLU H . 6640 1 789 . 1 1 79 79 GLU HA H 1 4.48 0.02 . 1 . . . . 79 GLU HA . 6640 1 790 . 1 1 79 79 GLU HB2 H 1 1.83 0.02 . 2 . . . . 79 GLU HB2 . 6640 1 791 . 1 1 79 79 GLU HB3 H 1 1.98 0.02 . 2 . . . . 79 GLU HB3 . 6640 1 792 . 1 1 79 79 GLU HG2 H 1 2.15 0.02 . 1 . . . . 79 GLU HG2 . 6640 1 793 . 1 1 79 79 GLU HG3 H 1 2.15 0.02 . 1 . . . . 79 GLU HG3 . 6640 1 794 . 1 1 79 79 GLU C C 13 175.60 0.05 . 1 . . . . 79 GLU C . 6640 1 795 . 1 1 79 79 GLU CA C 13 54.99 0.05 . 1 . . . . 79 GLU CA . 6640 1 796 . 1 1 79 79 GLU CB C 13 30.53 0.05 . 1 . . . . 79 GLU CB . 6640 1 797 . 1 1 79 79 GLU CG C 13 35.02 0.05 . 1 . . . . 79 GLU CG . 6640 1 798 . 1 1 79 79 GLU N N 15 125.00 0.1 . 1 . . . . 79 GLU N . 6640 1 799 . 1 1 80 80 ILE H H 1 8.36 0.02 . 1 . . . . 80 ILE H . 6640 1 800 . 1 1 80 80 ILE HA H 1 4.28 0.02 . 1 . . . . 80 ILE HA . 6640 1 801 . 1 1 80 80 ILE HB H 1 1.80 0.02 . 1 . . . . 80 ILE HB . 6640 1 802 . 1 1 80 80 ILE HG12 H 1 1.04 0.02 . 1 . . . . 80 ILE HG12 . 6640 1 803 . 1 1 80 80 ILE HG13 H 1 1.04 0.02 . 1 . . . . 80 ILE HG13 . 6640 1 804 . 1 1 80 80 ILE HG21 H 1 0.76 0.02 . 1 . . . . 80 ILE HG2 . 6640 1 805 . 1 1 80 80 ILE HG22 H 1 0.76 0.02 . 1 . . . . 80 ILE HG2 . 6640 1 806 . 1 1 80 80 ILE HG23 H 1 0.76 0.02 . 1 . . . . 80 ILE HG2 . 6640 1 807 . 1 1 80 80 ILE C C 13 176.00 0.05 . 1 . . . . 80 ILE C . 6640 1 808 . 1 1 80 80 ILE CA C 13 60.59 0.05 . 1 . . . . 80 ILE CA . 6640 1 809 . 1 1 80 80 ILE CB C 13 38.62 0.05 . 1 . . . . 80 ILE CB . 6640 1 810 . 1 1 80 80 ILE CG1 C 13 27.20 0.05 . 1 . . . . 80 ILE CG1 . 6640 1 811 . 1 1 80 80 ILE CG2 C 13 17.80 0.05 . 1 . . . . 80 ILE CG2 . 6640 1 812 . 1 1 80 80 ILE CD1 C 13 13.18 0.05 . 1 . . . . 80 ILE CD1 . 6640 1 813 . 1 1 80 80 ILE N N 15 123.90 0.1 . 1 . . . . 80 ILE N . 6640 1 814 . 1 1 81 81 LYS H H 1 8.52 0.02 . 1 . . . . 81 LYS H . 6640 1 815 . 1 1 81 81 LYS HA H 1 4.40 0.02 . 1 . . . . 81 LYS HA . 6640 1 816 . 1 1 81 81 LYS HB2 H 1 1.62 0.02 . 1 . . . . 81 LYS HB2 . 6640 1 817 . 1 1 81 81 LYS HB3 H 1 1.62 0.02 . 1 . . . . 81 LYS HB3 . 6640 1 818 . 1 1 81 81 LYS HG2 H 1 1.34 0.02 . 1 . . . . 81 LYS HG2 . 6640 1 819 . 1 1 81 81 LYS HG3 H 1 1.34 0.02 . 1 . . . . 81 LYS HG3 . 6640 1 820 . 1 1 81 81 LYS HD2 H 1 1.78 0.02 . 1 . . . . 81 LYS HD2 . 6640 1 821 . 1 1 81 81 LYS HD3 H 1 1.78 0.02 . 1 . . . . 81 LYS HD3 . 6640 1 822 . 1 1 81 81 LYS C C 13 175.90 0.05 . 1 . . . . 81 LYS C . 6640 1 823 . 1 1 81 81 LYS CA C 13 55.57 0.05 . 1 . . . . 81 LYS CA . 6640 1 824 . 1 1 81 81 LYS CB C 13 33.58 0.05 . 1 . . . . 81 LYS CB . 6640 1 825 . 1 1 81 81 LYS CG C 13 24.75 0.05 . 1 . . . . 81 LYS CG . 6640 1 826 . 1 1 81 81 LYS CD C 13 28.94 0.05 . 1 . . . . 81 LYS CD . 6640 1 827 . 1 1 81 81 LYS N N 15 125.00 0.1 . 1 . . . . 81 LYS N . 6640 1 828 . 1 1 82 82 ALA H H 1 8.23 0.02 . 1 . . . . 82 ALA H . 6640 1 829 . 1 1 82 82 ALA HA H 1 4.36 0.02 . 1 . . . . 82 ALA HA . 6640 1 830 . 1 1 82 82 ALA HB1 H 1 1.37 0.02 . 1 . . . . 82 ALA HB . 6640 1 831 . 1 1 82 82 ALA HB2 H 1 1.37 0.02 . 1 . . . . 82 ALA HB . 6640 1 832 . 1 1 82 82 ALA HB3 H 1 1.37 0.02 . 1 . . . . 82 ALA HB . 6640 1 833 . 1 1 82 82 ALA C C 13 177.10 0.05 . 1 . . . . 82 ALA C . 6640 1 834 . 1 1 82 82 ALA CA C 13 52.22 0.05 . 1 . . . . 82 ALA CA . 6640 1 835 . 1 1 82 82 ALA CB C 13 19.83 0.05 . 1 . . . . 82 ALA CB . 6640 1 836 . 1 1 82 82 ALA N N 15 124.30 0.1 . 1 . . . . 82 ALA N . 6640 1 837 . 1 1 83 83 GLY H H 1 8.34 0.02 . 1 . . . . 83 GLY H . 6640 1 838 . 1 1 83 83 GLY HA2 H 1 3.49 0.02 . 1 . . . . 83 GLY HA2 . 6640 1 839 . 1 1 83 83 GLY HA3 H 1 3.49 0.02 . 1 . . . . 83 GLY HA3 . 6640 1 840 . 1 1 83 83 GLY C C 13 172.80 0.05 . 1 . . . . 83 GLY C . 6640 1 841 . 1 1 83 83 GLY CA C 13 45.28 0.05 . 1 . . . . 83 GLY CA . 6640 1 842 . 1 1 83 83 GLY N N 15 109.90 0.1 . 1 . . . . 83 GLY N . 6640 1 843 . 1 1 84 84 GLU H H 1 8.51 0.02 . 1 . . . . 84 GLU H . 6640 1 844 . 1 1 84 84 GLU HA H 1 4.39 0.02 . 1 . . . . 84 GLU HA . 6640 1 845 . 1 1 84 84 GLU HB2 H 1 1.90 0.02 . 1 . . . . 84 GLU HB2 . 6640 1 846 . 1 1 84 84 GLU HB3 H 1 1.90 0.02 . 1 . . . . 84 GLU HB3 . 6640 1 847 . 1 1 84 84 GLU HG2 H 1 2.23 0.02 . 2 . . . . 84 GLU HG2 . 6640 1 848 . 1 1 84 84 GLU HG3 H 1 2.10 0.02 . 2 . . . . 84 GLU HG3 . 6640 1 849 . 1 1 84 84 GLU C C 13 175.60 0.05 . 1 . . . . 84 GLU C . 6640 1 850 . 1 1 84 84 GLU CA C 13 55.10 0.05 . 1 . . . . 84 GLU CA . 6640 1 851 . 1 1 84 84 GLU CB C 13 31.54 0.05 . 1 . . . . 84 GLU CB . 6640 1 852 . 1 1 84 84 GLU CG C 13 35.45 0.05 . 1 . . . . 84 GLU CG . 6640 1 853 . 1 1 84 84 GLU N N 15 122.90 0.1 . 1 . . . . 84 GLU N . 6640 1 854 . 1 1 85 85 LEU H H 1 8.65 0.02 . 1 . . . . 85 LEU H . 6640 1 855 . 1 1 85 85 LEU HA H 1 4.40 0.02 . 1 . . . . 85 LEU HA . 6640 1 856 . 1 1 85 85 LEU HB2 H 1 1.83 0.02 . 2 . . . . 85 LEU HB2 . 6640 1 857 . 1 1 85 85 LEU HB3 H 1 1.63 0.02 . 2 . . . . 85 LEU HB3 . 6640 1 858 . 1 1 85 85 LEU HG H 1 1.42 0.02 . 1 . . . . 85 LEU HG . 6640 1 859 . 1 1 85 85 LEU HD11 H 1 0.79 0.02 . 1 . . . . 85 LEU HD1 . 6640 1 860 . 1 1 85 85 LEU HD12 H 1 0.79 0.02 . 1 . . . . 85 LEU HD1 . 6640 1 861 . 1 1 85 85 LEU HD13 H 1 0.79 0.02 . 1 . . . . 85 LEU HD1 . 6640 1 862 . 1 1 85 85 LEU HD21 H 1 0.79 0.02 . 1 . . . . 85 LEU HD2 . 6640 1 863 . 1 1 85 85 LEU HD22 H 1 0.79 0.02 . 1 . . . . 85 LEU HD2 . 6640 1 864 . 1 1 85 85 LEU HD23 H 1 0.79 0.02 . 1 . . . . 85 LEU HD2 . 6640 1 865 . 1 1 85 85 LEU C C 13 176.40 0.05 . 1 . . . . 85 LEU C . 6640 1 866 . 1 1 85 85 LEU CA C 13 55.07 0.05 . 1 . . . . 85 LEU CA . 6640 1 867 . 1 1 85 85 LEU CB C 13 41.51 0.05 . 1 . . . . 85 LEU CB . 6640 1 868 . 1 1 85 85 LEU CG C 13 26.84 0.05 . 1 . . . . 85 LEU CG . 6640 1 869 . 1 1 85 85 LEU CD1 C 13 24.60 0.05 . 1 . . . . 85 LEU CD1 . 6640 1 870 . 1 1 85 85 LEU CD2 C 13 24.60 0.05 . 1 . . . . 85 LEU CD2 . 6640 1 871 . 1 1 85 85 LEU N N 15 125.20 0.1 . 1 . . . . 85 LEU N . 6640 1 872 . 1 1 86 86 LYS H H 1 9.05 0.02 . 1 . . . . 86 LYS H . 6640 1 873 . 1 1 86 86 LYS HA H 1 4.26 0.02 . 1 . . . . 86 LYS HA . 6640 1 874 . 1 1 86 86 LYS HB2 H 1 1.27 0.02 . 1 . . . . 86 LYS HB2 . 6640 1 875 . 1 1 86 86 LYS HB3 H 1 1.27 0.02 . 1 . . . . 86 LYS HB3 . 6640 1 876 . 1 1 86 86 LYS HG2 H 1 1.48 0.02 . 1 . . . . 86 LYS HG2 . 6640 1 877 . 1 1 86 86 LYS HG3 H 1 1.48 0.02 . 1 . . . . 86 LYS HG3 . 6640 1 878 . 1 1 86 86 LYS C C 13 176.00 0.05 . 1 . . . . 86 LYS C . 6640 1 879 . 1 1 86 86 LYS CA C 13 55.40 0.05 . 1 . . . . 86 LYS CA . 6640 1 880 . 1 1 86 86 LYS CB C 13 32.55 0.05 . 1 . . . . 86 LYS CB . 6640 1 881 . 1 1 86 86 LYS CG C 13 24.23 0.05 . 1 . . . . 86 LYS CG . 6640 1 882 . 1 1 86 86 LYS CD C 13 27.75 0.05 . 1 . . . . 86 LYS CD . 6640 1 883 . 1 1 86 86 LYS N N 15 127.80 0.1 . 1 . . . . 86 LYS N . 6640 1 884 . 1 1 87 87 ALA H H 1 7.54 0.02 . 1 . . . . 87 ALA H . 6640 1 885 . 1 1 87 87 ALA HA H 1 4.58 0.02 . 1 . . . . 87 ALA HA . 6640 1 886 . 1 1 87 87 ALA HB1 H 1 1.06 0.02 . 1 . . . . 87 ALA HB . 6640 1 887 . 1 1 87 87 ALA HB2 H 1 1.06 0.02 . 1 . . . . 87 ALA HB . 6640 1 888 . 1 1 87 87 ALA HB3 H 1 1.06 0.02 . 1 . . . . 87 ALA HB . 6640 1 889 . 1 1 87 87 ALA C C 13 174.70 0.05 . 1 . . . . 87 ALA C . 6640 1 890 . 1 1 87 87 ALA CA C 13 51.92 0.05 . 1 . . . . 87 ALA CA . 6640 1 891 . 1 1 87 87 ALA CB C 13 22.33 0.05 . 1 . . . . 87 ALA CB . 6640 1 892 . 1 1 87 87 ALA N N 15 118.90 0.1 . 1 . . . . 87 ALA N . 6640 1 893 . 1 1 88 88 THR H H 1 8.33 0.02 . 1 . . . . 88 THR H . 6640 1 894 . 1 1 88 88 THR HA H 1 5.43 0.02 . 1 . . . . 88 THR HA . 6640 1 895 . 1 1 88 88 THR HB H 1 4.02 0.02 . 1 . . . . 88 THR HB . 6640 1 896 . 1 1 88 88 THR HG21 H 1 1.22 0.02 . 1 . . . . 88 THR HG2 . 6640 1 897 . 1 1 88 88 THR HG22 H 1 1.22 0.02 . 1 . . . . 88 THR HG2 . 6640 1 898 . 1 1 88 88 THR HG23 H 1 1.22 0.02 . 1 . . . . 88 THR HG2 . 6640 1 899 . 1 1 88 88 THR C C 13 173.80 0.05 . 1 . . . . 88 THR C . 6640 1 900 . 1 1 88 88 THR CA C 13 61.02 0.05 . 1 . . . . 88 THR CA . 6640 1 901 . 1 1 88 88 THR CB C 13 72.74 0.05 . 1 . . . . 88 THR CB . 6640 1 902 . 1 1 88 88 THR CG2 C 13 22.15 0.05 . 1 . . . . 88 THR CG2 . 6640 1 903 . 1 1 88 88 THR N N 15 111.70 0.1 . 1 . . . . 88 THR N . 6640 1 904 . 1 1 89 89 PHE H H 1 9.58 0.02 . 1 . . . . 89 PHE H . 6640 1 905 . 1 1 89 89 PHE HA H 1 4.74 0.02 . 1 . . . . 89 PHE HA . 6640 1 906 . 1 1 89 89 PHE HB2 H 1 2.96 0.02 . 2 . . . . 89 PHE HB2 . 6640 1 907 . 1 1 89 89 PHE HB3 H 1 2.57 0.02 . 2 . . . . 89 PHE HB3 . 6640 1 908 . 1 1 89 89 PHE HD1 H 1 7.07 0.02 . 1 . . . . 89 PHE HD1 . 6640 1 909 . 1 1 89 89 PHE HD2 H 1 7.07 0.02 . 1 . . . . 89 PHE HD2 . 6640 1 910 . 1 1 89 89 PHE HE1 H 1 7.00 0.02 . 1 . . . . 89 PHE HE1 . 6640 1 911 . 1 1 89 89 PHE HE2 H 1 7.00 0.02 . 1 . . . . 89 PHE HE2 . 6640 1 912 . 1 1 89 89 PHE HZ H 1 7.07 0.02 . 1 . . . . 89 PHE HZ . 6640 1 913 . 1 1 89 89 PHE C C 13 172.60 0.05 . 1 . . . . 89 PHE C . 6640 1 914 . 1 1 89 89 PHE CA C 13 59.16 0.05 . 1 . . . . 89 PHE CA . 6640 1 915 . 1 1 89 89 PHE CB C 13 42.66 0.05 . 1 . . . . 89 PHE CB . 6640 1 916 . 1 1 89 89 PHE CD1 C 13 130.70 0.05 . 1 . . . . 89 PHE CD1 . 6640 1 917 . 1 1 89 89 PHE CD2 C 13 130.70 0.05 . 1 . . . . 89 PHE CD2 . 6640 1 918 . 1 1 89 89 PHE CE1 C 13 129.10 0.05 . 1 . . . . 89 PHE CE1 . 6640 1 919 . 1 1 89 89 PHE CE2 C 13 129.10 0.05 . 1 . . . . 89 PHE CE2 . 6640 1 920 . 1 1 89 89 PHE CZ C 13 127.10 0.05 . 1 . . . . 89 PHE CZ . 6640 1 921 . 1 1 89 89 PHE N N 15 124.30 0.1 . 1 . . . . 89 PHE N . 6640 1 922 . 1 1 90 90 ILE H H 1 7.87 0.02 . 1 . . . . 90 ILE H . 6640 1 923 . 1 1 90 90 ILE HA H 1 4.34 0.02 . 1 . . . . 90 ILE HA . 6640 1 924 . 1 1 90 90 ILE HB H 1 1.59 0.02 . 1 . . . . 90 ILE HB . 6640 1 925 . 1 1 90 90 ILE HG12 H 1 1.01 0.02 . 1 . . . . 90 ILE HG12 . 6640 1 926 . 1 1 90 90 ILE HG13 H 1 1.01 0.02 . 1 . . . . 90 ILE HG13 . 6640 1 927 . 1 1 90 90 ILE HG21 H 1 0.82 0.02 . 1 . . . . 90 ILE HG2 . 6640 1 928 . 1 1 90 90 ILE HG22 H 1 0.82 0.02 . 1 . . . . 90 ILE HG2 . 6640 1 929 . 1 1 90 90 ILE HG23 H 1 0.82 0.02 . 1 . . . . 90 ILE HG2 . 6640 1 930 . 1 1 90 90 ILE C C 13 174.00 0.05 . 1 . . . . 90 ILE C . 6640 1 931 . 1 1 90 90 ILE CA C 13 60.72 0.05 . 1 . . . . 90 ILE CA . 6640 1 932 . 1 1 90 90 ILE CB C 13 38.22 0.05 . 1 . . . . 90 ILE CB . 6640 1 933 . 1 1 90 90 ILE CG1 C 13 27.35 0.05 . 1 . . . . 90 ILE CG1 . 6640 1 934 . 1 1 90 90 ILE CG2 C 13 17.81 0.05 . 1 . . . . 90 ILE CG2 . 6640 1 935 . 1 1 90 90 ILE N N 15 130.00 0.1 . 1 . . . . 90 ILE N . 6640 1 936 . 1 1 91 91 ASP H H 1 8.58 0.02 . 1 . . . . 91 ASP H . 6640 1 937 . 1 1 91 91 ASP HA H 1 4.95 0.02 . 1 . . . . 91 ASP HA . 6640 1 938 . 1 1 91 91 ASP HB2 H 1 3.20 0.02 . 2 . . . . 91 ASP HB2 . 6640 1 939 . 1 1 91 91 ASP HB3 H 1 2.80 0.02 . 2 . . . . 91 ASP HB3 . 6640 1 940 . 1 1 91 91 ASP C C 13 175.30 0.05 . 1 . . . . 91 ASP C . 6640 1 941 . 1 1 91 91 ASP CA C 13 51.34 0.05 . 1 . . . . 91 ASP CA . 6640 1 942 . 1 1 91 91 ASP CB C 13 43.71 0.05 . 1 . . . . 91 ASP CB . 6640 1 943 . 1 1 91 91 ASP N N 15 128.90 0.1 . 1 . . . . 91 ASP N . 6640 1 944 . 1 1 92 92 THR H H 1 8.66 0.02 . 1 . . . . 92 THR H . 6640 1 945 . 1 1 92 92 THR HA H 1 3.80 0.02 . 1 . . . . 92 THR HA . 6640 1 946 . 1 1 92 92 THR HB H 1 4.05 0.02 . 1 . . . . 92 THR HB . 6640 1 947 . 1 1 92 92 THR HG21 H 1 1.18 0.02 . 1 . . . . 92 THR HG2 . 6640 1 948 . 1 1 92 92 THR HG22 H 1 1.18 0.02 . 1 . . . . 92 THR HG2 . 6640 1 949 . 1 1 92 92 THR HG23 H 1 1.18 0.02 . 1 . . . . 92 THR HG2 . 6640 1 950 . 1 1 92 92 THR C C 13 175.30 0.05 . 1 . . . . 92 THR C . 6640 1 951 . 1 1 92 92 THR CA C 13 65.22 0.05 . 1 . . . . 92 THR CA . 6640 1 952 . 1 1 92 92 THR CB C 13 68.68 0.05 . 1 . . . . 92 THR CB . 6640 1 953 . 1 1 92 92 THR CG2 C 13 22.14 0.05 . 1 . . . . 92 THR CG2 . 6640 1 954 . 1 1 92 92 THR N N 15 112.30 0.1 . 1 . . . . 92 THR N . 6640 1 955 . 1 1 93 93 ASP H H 1 8.46 0.02 . 1 . . . . 93 ASP H . 6640 1 956 . 1 1 93 93 ASP HA H 1 4.75 0.02 . 1 . . . . 93 ASP HA . 6640 1 957 . 1 1 93 93 ASP HB2 H 1 2.80 0.02 . 2 . . . . 93 ASP HB2 . 6640 1 958 . 1 1 93 93 ASP HB3 H 1 2.67 0.02 . 2 . . . . 93 ASP HB3 . 6640 1 959 . 1 1 93 93 ASP C C 13 175.70 0.05 . 1 . . . . 93 ASP C . 6640 1 960 . 1 1 93 93 ASP CA C 13 53.37 0.05 . 1 . . . . 93 ASP CA . 6640 1 961 . 1 1 93 93 ASP CB C 13 41.80 0.05 . 1 . . . . 93 ASP CB . 6640 1 962 . 1 1 93 93 ASP N N 15 116.10 0.1 . 1 . . . . 93 ASP N . 6640 1 963 . 1 1 94 94 LYS H H 1 7.45 0.02 . 1 . . . . 94 LYS H . 6640 1 964 . 1 1 94 94 LYS HA H 1 4.94 0.02 . 1 . . . . 94 LYS HA . 6640 1 965 . 1 1 94 94 LYS HB2 H 1 1.56 0.02 . 2 . . . . 94 LYS HB2 . 6640 1 966 . 1 1 94 94 LYS HB3 H 1 1.24 0.02 . 2 . . . . 94 LYS HB3 . 6640 1 967 . 1 1 94 94 LYS HG2 H 1 1.40 0.02 . 1 . . . . 94 LYS HG2 . 6640 1 968 . 1 1 94 94 LYS HG3 H 1 1.40 0.02 . 1 . . . . 94 LYS HG3 . 6640 1 969 . 1 1 94 94 LYS HE2 H 1 2.84 0.02 . 1 . . . . 94 LYS HE2 . 6640 1 970 . 1 1 94 94 LYS HE3 H 1 2.84 0.02 . 1 . . . . 94 LYS HE3 . 6640 1 971 . 1 1 94 94 LYS C C 13 173.40 0.05 . 1 . . . . 94 LYS C . 6640 1 972 . 1 1 94 94 LYS CA C 13 54.66 0.05 . 1 . . . . 94 LYS CA . 6640 1 973 . 1 1 94 94 LYS CB C 13 38.33 0.05 . 1 . . . . 94 LYS CB . 6640 1 974 . 1 1 94 94 LYS CG C 13 24.91 0.05 . 1 . . . . 94 LYS CG . 6640 1 975 . 1 1 94 94 LYS CD C 13 29.37 0.05 . 1 . . . . 94 LYS CD . 6640 1 976 . 1 1 94 94 LYS CE C 13 42.23 0.05 . 1 . . . . 94 LYS CE . 6640 1 977 . 1 1 94 94 LYS N N 15 121.30 0.1 . 1 . . . . 94 LYS N . 6640 1 978 . 1 1 95 95 VAL H H 1 8.54 0.02 . 1 . . . . 95 VAL H . 6640 1 979 . 1 1 95 95 VAL HA H 1 4.88 0.02 . 1 . . . . 95 VAL HA . 6640 1 980 . 1 1 95 95 VAL HB H 1 1.84 0.02 . 1 . . . . 95 VAL HB . 6640 1 981 . 1 1 95 95 VAL HG11 H 1 0.74 0.02 . 1 . . . . 95 VAL HG1 . 6640 1 982 . 1 1 95 95 VAL HG12 H 1 0.74 0.02 . 1 . . . . 95 VAL HG1 . 6640 1 983 . 1 1 95 95 VAL HG13 H 1 0.74 0.02 . 1 . . . . 95 VAL HG1 . 6640 1 984 . 1 1 95 95 VAL HG21 H 1 0.74 0.02 . 1 . . . . 95 VAL HG2 . 6640 1 985 . 1 1 95 95 VAL HG22 H 1 0.74 0.02 . 1 . . . . 95 VAL HG2 . 6640 1 986 . 1 1 95 95 VAL HG23 H 1 0.74 0.02 . 1 . . . . 95 VAL HG2 . 6640 1 987 . 1 1 95 95 VAL C C 13 172.60 0.05 . 1 . . . . 95 VAL C . 6640 1 988 . 1 1 95 95 VAL CA C 13 59.43 0.05 . 1 . . . . 95 VAL CA . 6640 1 989 . 1 1 95 95 VAL CB C 13 34.00 0.05 . 1 . . . . 95 VAL CB . 6640 1 990 . 1 1 95 95 VAL CG1 C 13 21.86 0.05 . 2 . . . . 95 VAL CG1 . 6640 1 991 . 1 1 95 95 VAL CG2 C 13 21.56 0.05 . 2 . . . . 95 VAL CG2 . 6640 1 992 . 1 1 95 95 VAL N N 15 115.90 0.1 . 1 . . . . 95 VAL N . 6640 1 993 . 1 1 96 96 TYR H H 1 9.03 0.02 . 1 . . . . 96 TYR H . 6640 1 994 . 1 1 96 96 TYR HA H 1 5.68 0.02 . 1 . . . . 96 TYR HA . 6640 1 995 . 1 1 96 96 TYR HB2 H 1 3.25 0.02 . 2 . . . . 96 TYR HB2 . 6640 1 996 . 1 1 96 96 TYR HB3 H 1 2.98 0.02 . 2 . . . . 96 TYR HB3 . 6640 1 997 . 1 1 96 96 TYR HD1 H 1 7.07 0.02 . 1 . . . . 96 TYR HD1 . 6640 1 998 . 1 1 96 96 TYR HD2 H 1 7.07 0.02 . 1 . . . . 96 TYR HD2 . 6640 1 999 . 1 1 96 96 TYR HE1 H 1 6.57 0.02 . 1 . . . . 96 TYR HE1 . 6640 1 1000 . 1 1 96 96 TYR HE2 H 1 6.57 0.02 . 1 . . . . 96 TYR HE2 . 6640 1 1001 . 1 1 96 96 TYR C C 13 176.20 0.05 . 1 . . . . 96 TYR C . 6640 1 1002 . 1 1 96 96 TYR CA C 13 55.96 0.05 . 1 . . . . 96 TYR CA . 6640 1 1003 . 1 1 96 96 TYR CB C 13 42.38 0.05 . 1 . . . . 96 TYR CB . 6640 1 1004 . 1 1 96 96 TYR CD1 C 13 133.30 0.05 . 1 . . . . 96 TYR CD1 . 6640 1 1005 . 1 1 96 96 TYR CD2 C 13 133.30 0.05 . 1 . . . . 96 TYR CD2 . 6640 1 1006 . 1 1 96 96 TYR CE1 C 13 118.00 0.05 . 1 . . . . 96 TYR CE1 . 6640 1 1007 . 1 1 96 96 TYR CE2 C 13 118.00 0.05 . 1 . . . . 96 TYR CE2 . 6640 1 1008 . 1 1 96 96 TYR N N 15 121.80 0.1 . 1 . . . . 96 TYR N . 6640 1 1009 . 1 1 97 97 VAL H H 1 9.64 0.02 . 1 . . . . 97 VAL H . 6640 1 1010 . 1 1 97 97 VAL HA H 1 5.19 0.02 . 1 . . . . 97 VAL HA . 6640 1 1011 . 1 1 97 97 VAL HB H 1 1.97 0.02 . 1 . . . . 97 VAL HB . 6640 1 1012 . 1 1 97 97 VAL HG11 H 1 0.90 0.02 . 2 . . . . 97 VAL HG1 . 6640 1 1013 . 1 1 97 97 VAL HG12 H 1 0.90 0.02 . 2 . . . . 97 VAL HG1 . 6640 1 1014 . 1 1 97 97 VAL HG13 H 1 0.90 0.02 . 2 . . . . 97 VAL HG1 . 6640 1 1015 . 1 1 97 97 VAL HG21 H 1 0.66 0.02 . 2 . . . . 97 VAL HG2 . 6640 1 1016 . 1 1 97 97 VAL HG22 H 1 0.66 0.02 . 2 . . . . 97 VAL HG2 . 6640 1 1017 . 1 1 97 97 VAL HG23 H 1 0.66 0.02 . 2 . . . . 97 VAL HG2 . 6640 1 1018 . 1 1 97 97 VAL C C 13 172.30 0.05 . 1 . . . . 97 VAL C . 6640 1 1019 . 1 1 97 97 VAL CA C 13 58.71 0.05 . 1 . . . . 97 VAL CA . 6640 1 1020 . 1 1 97 97 VAL CB C 13 35.44 0.05 . 1 . . . . 97 VAL CB . 6640 1 1021 . 1 1 97 97 VAL CG1 C 13 22.14 0.05 . 2 . . . . 97 VAL CG1 . 6640 1 1022 . 1 1 97 97 VAL CG2 C 13 18.68 0.05 . 2 . . . . 97 VAL CG2 . 6640 1 1023 . 1 1 97 97 VAL N N 15 114.80 0.1 . 1 . . . . 97 VAL N . 6640 1 1024 . 1 1 98 98 LEU H H 1 8.14 0.02 . 1 . . . . 98 LEU H . 6640 1 1025 . 1 1 98 98 LEU HA H 1 4.60 0.02 . 1 . . . . 98 LEU HA . 6640 1 1026 . 1 1 98 98 LEU HB2 H 1 0.80 0.02 . 2 . . . . 98 LEU HB2 . 6640 1 1027 . 1 1 98 98 LEU HB3 H 1 -0.77 0.02 . 2 . . . . 98 LEU HB3 . 6640 1 1028 . 1 1 98 98 LEU HG H 1 0.36 0.02 . 1 . . . . 98 LEU HG . 6640 1 1029 . 1 1 98 98 LEU HD11 H 1 -0.11 0.02 . 1 . . . . 98 LEU HD1 . 6640 1 1030 . 1 1 98 98 LEU HD12 H 1 -0.11 0.02 . 1 . . . . 98 LEU HD1 . 6640 1 1031 . 1 1 98 98 LEU HD13 H 1 -0.11 0.02 . 1 . . . . 98 LEU HD1 . 6640 1 1032 . 1 1 98 98 LEU HD21 H 1 -0.11 0.02 . 1 . . . . 98 LEU HD2 . 6640 1 1033 . 1 1 98 98 LEU HD22 H 1 -0.11 0.02 . 1 . . . . 98 LEU HD2 . 6640 1 1034 . 1 1 98 98 LEU HD23 H 1 -0.11 0.02 . 1 . . . . 98 LEU HD2 . 6640 1 1035 . 1 1 98 98 LEU C C 13 174.80 0.05 . 1 . . . . 98 LEU C . 6640 1 1036 . 1 1 98 98 LEU CA C 13 52.50 0.05 . 1 . . . . 98 LEU CA . 6640 1 1037 . 1 1 98 98 LEU CB C 13 42.67 0.05 . 1 . . . . 98 LEU CB . 6640 1 1038 . 1 1 98 98 LEU CG C 13 26.03 0.05 . 1 . . . . 98 LEU CG . 6640 1 1039 . 1 1 98 98 LEU CD1 C 13 24.46 0.05 . 1 . . . . 98 LEU CD1 . 6640 1 1040 . 1 1 98 98 LEU CD2 C 13 24.46 0.05 . 1 . . . . 98 LEU CD2 . 6640 1 1041 . 1 1 98 98 LEU N N 15 124.80 0.1 . 1 . . . . 98 LEU N . 6640 1 1042 . 1 1 99 99 LEU H H 1 9.09 0.02 . 1 . . . . 99 LEU H . 6640 1 1043 . 1 1 99 99 LEU HA H 1 4.92 0.02 . 1 . . . . 99 LEU HA . 6640 1 1044 . 1 1 99 99 LEU HB2 H 1 1.43 0.02 . 2 . . . . 99 LEU HB2 . 6640 1 1045 . 1 1 99 99 LEU HB3 H 1 1.28 0.02 . 2 . . . . 99 LEU HB3 . 6640 1 1046 . 1 1 99 99 LEU HD11 H 1 0.71 0.02 . 1 . . . . 99 LEU HD1 . 6640 1 1047 . 1 1 99 99 LEU HD12 H 1 0.71 0.02 . 1 . . . . 99 LEU HD1 . 6640 1 1048 . 1 1 99 99 LEU HD13 H 1 0.71 0.02 . 1 . . . . 99 LEU HD1 . 6640 1 1049 . 1 1 99 99 LEU HD21 H 1 0.71 0.02 . 1 . . . . 99 LEU HD2 . 6640 1 1050 . 1 1 99 99 LEU HD22 H 1 0.71 0.02 . 1 . . . . 99 LEU HD2 . 6640 1 1051 . 1 1 99 99 LEU HD23 H 1 0.71 0.02 . 1 . . . . 99 LEU HD2 . 6640 1 1052 . 1 1 99 99 LEU C C 13 174.70 0.05 . 1 . . . . 99 LEU C . 6640 1 1053 . 1 1 99 99 LEU CA C 13 53.08 0.05 . 1 . . . . 99 LEU CA . 6640 1 1054 . 1 1 99 99 LEU CB C 13 45.84 0.05 . 1 . . . . 99 LEU CB . 6640 1 1055 . 1 1 99 99 LEU CG C 13 27.05 0.05 . 1 . . . . 99 LEU CG . 6640 1 1056 . 1 1 99 99 LEU CD1 C 13 25.33 0.05 . 1 . . . . 99 LEU CD1 . 6640 1 1057 . 1 1 99 99 LEU CD2 C 13 25.33 0.05 . 1 . . . . 99 LEU CD2 . 6640 1 1058 . 1 1 99 99 LEU N N 15 127.80 0.1 . 1 . . . . 99 LEU N . 6640 1 1059 . 1 1 100 100 ARG H H 1 8.63 0.02 . 1 . . . . 100 ARG H . 6640 1 1060 . 1 1 100 100 ARG HA H 1 5.21 0.02 . 1 . . . . 100 ARG HA . 6640 1 1061 . 1 1 100 100 ARG HB2 H 1 1.86 0.02 . 1 . . . . 100 ARG HB2 . 6640 1 1062 . 1 1 100 100 ARG HB3 H 1 1.86 0.02 . 1 . . . . 100 ARG HB3 . 6640 1 1063 . 1 1 100 100 ARG HG2 H 1 1.38 0.02 . 1 . . . . 100 ARG HG2 . 6640 1 1064 . 1 1 100 100 ARG HG3 H 1 1.38 0.02 . 1 . . . . 100 ARG HG3 . 6640 1 1065 . 1 1 100 100 ARG HD2 H 1 3.03 0.02 . 1 . . . . 100 ARG HD2 . 6640 1 1066 . 1 1 100 100 ARG HD3 H 1 3.03 0.02 . 1 . . . . 100 ARG HD3 . 6640 1 1067 . 1 1 100 100 ARG C C 13 175.60 0.05 . 1 . . . . 100 ARG C . 6640 1 1068 . 1 1 100 100 ARG CA C 13 54.81 0.05 . 1 . . . . 100 ARG CA . 6640 1 1069 . 1 1 100 100 ARG CB C 13 32.26 0.05 . 1 . . . . 100 ARG CB . 6640 1 1070 . 1 1 100 100 ARG CG C 13 27.35 0.05 . 1 . . . . 100 ARG CG . 6640 1 1071 . 1 1 100 100 ARG CD C 13 43.76 0.05 . 1 . . . . 100 ARG CD . 6640 1 1072 . 1 1 100 100 ARG N N 15 123.20 0.1 . 1 . . . . 100 ARG N . 6640 1 1073 . 1 1 101 101 ILE H H 1 9.36 0.02 . 1 . . . . 101 ILE H . 6640 1 1074 . 1 1 101 101 ILE HA H 1 4.65 0.02 . 1 . . . . 101 ILE HA . 6640 1 1075 . 1 1 101 101 ILE HB H 1 1.73 0.02 . 1 . . . . 101 ILE HB . 6640 1 1076 . 1 1 101 101 ILE HG12 H 1 1.35 0.02 . 2 . . . . 101 ILE HG12 . 6640 1 1077 . 1 1 101 101 ILE HG13 H 1 1.12 0.02 . 2 . . . . 101 ILE HG13 . 6640 1 1078 . 1 1 101 101 ILE HG21 H 1 0.74 0.02 . 1 . . . . 101 ILE HG2 . 6640 1 1079 . 1 1 101 101 ILE HG22 H 1 0.74 0.02 . 1 . . . . 101 ILE HG2 . 6640 1 1080 . 1 1 101 101 ILE HG23 H 1 0.74 0.02 . 1 . . . . 101 ILE HG2 . 6640 1 1081 . 1 1 101 101 ILE C C 13 175.00 0.05 . 1 . . . . 101 ILE C . 6640 1 1082 . 1 1 101 101 ILE CA C 13 58.57 0.05 . 1 . . . . 101 ILE CA . 6640 1 1083 . 1 1 101 101 ILE CB C 13 40.94 0.05 . 1 . . . . 101 ILE CB . 6640 1 1084 . 1 1 101 101 ILE CG1 C 13 27.78 0.05 . 1 . . . . 101 ILE CG1 . 6640 1 1085 . 1 1 101 101 ILE CG2 C 13 18.40 0.05 . 1 . . . . 101 ILE CG2 . 6640 1 1086 . 1 1 101 101 ILE CD1 C 13 12.75 0.05 . 1 . . . . 101 ILE CD1 . 6640 1 1087 . 1 1 101 101 ILE N N 15 127.90 0.1 . 1 . . . . 101 ILE N . 6640 1 1088 . 1 1 102 102 THR H H 1 8.71 0.02 . 1 . . . . 102 THR H . 6640 1 1089 . 1 1 102 102 THR HA H 1 4.82 0.02 . 1 . . . . 102 THR HA . 6640 1 1090 . 1 1 102 102 THR HB H 1 3.93 0.02 . 1 . . . . 102 THR HB . 6640 1 1091 . 1 1 102 102 THR HG21 H 1 1.04 0.02 . 1 . . . . 102 THR HG2 . 6640 1 1092 . 1 1 102 102 THR HG22 H 1 1.04 0.02 . 1 . . . . 102 THR HG2 . 6640 1 1093 . 1 1 102 102 THR HG23 H 1 1.04 0.02 . 1 . . . . 102 THR HG2 . 6640 1 1094 . 1 1 102 102 THR C C 13 172.90 0.05 . 1 . . . . 102 THR C . 6640 1 1095 . 1 1 102 102 THR CA C 13 62.03 0.05 . 1 . . . . 102 THR CA . 6640 1 1096 . 1 1 102 102 THR CB C 13 69.84 0.05 . 1 . . . . 102 THR CB . 6640 1 1097 . 1 1 102 102 THR CG2 C 13 21.42 0.05 . 1 . . . . 102 THR CG2 . 6640 1 1098 . 1 1 102 102 THR N N 15 122.20 0.1 . 1 . . . . 102 THR N . 6640 1 1099 . 1 1 103 103 LYS H H 1 9.00 0.02 . 1 . . . . 103 LYS H . 6640 1 1100 . 1 1 103 103 LYS HA H 1 4.73 0.02 . 1 . . . . 103 LYS HA . 6640 1 1101 . 1 1 103 103 LYS HB2 H 1 1.51 0.02 . 1 . . . . 103 LYS HB2 . 6640 1 1102 . 1 1 103 103 LYS HB3 H 1 1.51 0.02 . 1 . . . . 103 LYS HB3 . 6640 1 1103 . 1 1 103 103 LYS HG2 H 1 1.03 0.02 . 1 . . . . 103 LYS HG2 . 6640 1 1104 . 1 1 103 103 LYS HG3 H 1 1.03 0.02 . 1 . . . . 103 LYS HG3 . 6640 1 1105 . 1 1 103 103 LYS HD2 H 1 1.22 0.02 . 1 . . . . 103 LYS HD2 . 6640 1 1106 . 1 1 103 103 LYS HD3 H 1 1.22 0.02 . 1 . . . . 103 LYS HD3 . 6640 1 1107 . 1 1 103 103 LYS C C 13 174.80 0.05 . 1 . . . . 103 LYS C . 6640 1 1108 . 1 1 103 103 LYS CA C 13 54.51 0.05 . 1 . . . . 103 LYS CA . 6640 1 1109 . 1 1 103 103 LYS CB C 13 34.57 0.05 . 1 . . . . 103 LYS CB . 6640 1 1110 . 1 1 103 103 LYS CG C 13 23.93 0.05 . 1 . . . . 103 LYS CG . 6640 1 1111 . 1 1 103 103 LYS CD C 13 29.06 0.05 . 1 . . . . 103 LYS CD . 6640 1 1112 . 1 1 103 103 LYS CE C 13 41.80 0.05 . 1 . . . . 103 LYS CE . 6640 1 1113 . 1 1 103 103 LYS N N 15 128.50 0.1 . 1 . . . . 103 LYS N . 6640 1 1114 . 1 1 104 104 LYS H H 1 8.64 0.02 . 1 . . . . 104 LYS H . 6640 1 1115 . 1 1 104 104 LYS HA H 1 4.43 0.02 . 1 . . . . 104 LYS HA . 6640 1 1116 . 1 1 104 104 LYS HB2 H 1 1.72 0.02 . 1 . . . . 104 LYS HB2 . 6640 1 1117 . 1 1 104 104 LYS HB3 H 1 1.72 0.02 . 1 . . . . 104 LYS HB3 . 6640 1 1118 . 1 1 104 104 LYS HG2 H 1 1.27 0.02 . 1 . . . . 104 LYS HG2 . 6640 1 1119 . 1 1 104 104 LYS HG3 H 1 1.27 0.02 . 1 . . . . 104 LYS HG3 . 6640 1 1120 . 1 1 104 104 LYS HD2 H 1 1.56 0.02 . 1 . . . . 104 LYS HD2 . 6640 1 1121 . 1 1 104 104 LYS HD3 H 1 1.56 0.02 . 1 . . . . 104 LYS HD3 . 6640 1 1122 . 1 1 104 104 LYS HE2 H 1 2.87 0.02 . 1 . . . . 104 LYS HE2 . 6640 1 1123 . 1 1 104 104 LYS HE3 H 1 2.87 0.02 . 1 . . . . 104 LYS HE3 . 6640 1 1124 . 1 1 104 104 LYS C C 13 175.90 0.05 . 1 . . . . 104 LYS C . 6640 1 1125 . 1 1 104 104 LYS CA C 13 55.37 0.05 . 1 . . . . 104 LYS CA . 6640 1 1126 . 1 1 104 104 LYS CB C 13 34.15 0.05 . 1 . . . . 104 LYS CB . 6640 1 1127 . 1 1 104 104 LYS CG C 13 24.74 0.05 . 1 . . . . 104 LYS CG . 6640 1 1128 . 1 1 104 104 LYS CD C 13 27.02 0.05 . 1 . . . . 104 LYS CD . 6640 1 1129 . 1 1 104 104 LYS CE C 13 41.66 0.05 . 1 . . . . 104 LYS CE . 6640 1 1130 . 1 1 104 104 LYS N N 15 126.30 0.1 . 1 . . . . 104 LYS N . 6640 1 1131 . 1 1 105 105 HIS H H 1 8.95 0.02 . 1 . . . . 105 HIS H . 6640 1 1132 . 1 1 105 105 HIS HA H 1 4.63 0.02 . 1 . . . . 105 HIS HA . 6640 1 1133 . 1 1 105 105 HIS HB2 H 1 3.14 0.02 . 1 . . . . 105 HIS HB2 . 6640 1 1134 . 1 1 105 105 HIS HB3 H 1 3.14 0.02 . 1 . . . . 105 HIS HB3 . 6640 1 1135 . 1 1 105 105 HIS C C 13 174.10 0.05 . 1 . . . . 105 HIS C . 6640 1 1136 . 1 1 105 105 HIS CA C 13 55.66 0.05 . 1 . . . . 105 HIS CA . 6640 1 1137 . 1 1 105 105 HIS CB C 13 28.79 0.05 . 1 . . . . 105 HIS CB . 6640 1 1138 . 1 1 105 105 HIS N N 15 123.10 0.1 . 1 . . . . 105 HIS N . 6640 1 1139 . 1 1 106 106 VAL H H 1 8.11 0.02 . 1 . . . . 106 VAL H . 6640 1 1140 . 1 1 106 106 VAL HA H 1 3.99 0.02 . 1 . . . . 106 VAL HA . 6640 1 1141 . 1 1 106 106 VAL HB H 1 1.89 0.02 . 1 . . . . 106 VAL HB . 6640 1 1142 . 1 1 106 106 VAL HG11 H 1 0.79 0.02 . 1 . . . . 106 VAL HG1 . 6640 1 1143 . 1 1 106 106 VAL HG12 H 1 0.79 0.02 . 1 . . . . 106 VAL HG1 . 6640 1 1144 . 1 1 106 106 VAL HG13 H 1 0.79 0.02 . 1 . . . . 106 VAL HG1 . 6640 1 1145 . 1 1 106 106 VAL HG21 H 1 0.79 0.02 . 1 . . . . 106 VAL HG2 . 6640 1 1146 . 1 1 106 106 VAL HG22 H 1 0.79 0.02 . 1 . . . . 106 VAL HG2 . 6640 1 1147 . 1 1 106 106 VAL HG23 H 1 0.79 0.02 . 1 . . . . 106 VAL HG2 . 6640 1 1148 . 1 1 106 106 VAL C C 13 175.00 0.05 . 1 . . . . 106 VAL C . 6640 1 1149 . 1 1 106 106 VAL CA C 13 61.74 0.05 . 1 . . . . 106 VAL CA . 6640 1 1150 . 1 1 106 106 VAL CB C 13 32.84 0.05 . 1 . . . . 106 VAL CB . 6640 1 1151 . 1 1 106 106 VAL CG1 C 13 20.99 0.05 . 2 . . . . 106 VAL CG1 . 6640 1 1152 . 1 1 106 106 VAL CG2 C 13 20.40 0.05 . 2 . . . . 106 VAL CG2 . 6640 1 1153 . 1 1 106 106 VAL N N 15 124.90 0.1 . 1 . . . . 106 VAL N . 6640 1 1154 . 1 1 107 107 ALA H H 1 8.31 0.02 . 1 . . . . 107 ALA H . 6640 1 1155 . 1 1 107 107 ALA HA H 1 4.25 0.02 . 1 . . . . 107 ALA HA . 6640 1 1156 . 1 1 107 107 ALA HB1 H 1 1.32 0.02 . 1 . . . . 107 ALA HB . 6640 1 1157 . 1 1 107 107 ALA HB2 H 1 1.32 0.02 . 1 . . . . 107 ALA HB . 6640 1 1158 . 1 1 107 107 ALA HB3 H 1 1.32 0.02 . 1 . . . . 107 ALA HB . 6640 1 1159 . 1 1 107 107 ALA C C 13 177.30 0.05 . 1 . . . . 107 ALA C . 6640 1 1160 . 1 1 107 107 ALA CA C 13 52.11 0.05 . 1 . . . . 107 ALA CA . 6640 1 1161 . 1 1 107 107 ALA CB C 13 19.37 0.05 . 1 . . . . 107 ALA CB . 6640 1 1162 . 1 1 107 107 ALA N N 15 128.60 0.1 . 1 . . . . 107 ALA N . 6640 1 1163 . 1 1 108 108 LEU H H 1 8.16 0.02 . 1 . . . . 108 LEU H . 6640 1 1164 . 1 1 108 108 LEU HA H 1 4.27 0.02 . 1 . . . . 108 LEU HA . 6640 1 1165 . 1 1 108 108 LEU HB2 H 1 1.56 0.02 . 1 . . . . 108 LEU HB2 . 6640 1 1166 . 1 1 108 108 LEU HB3 H 1 1.56 0.02 . 1 . . . . 108 LEU HB3 . 6640 1 1167 . 1 1 108 108 LEU HD11 H 1 0.85 0.02 . 1 . . . . 108 LEU HD1 . 6640 1 1168 . 1 1 108 108 LEU HD12 H 1 0.85 0.02 . 1 . . . . 108 LEU HD1 . 6640 1 1169 . 1 1 108 108 LEU HD13 H 1 0.85 0.02 . 1 . . . . 108 LEU HD1 . 6640 1 1170 . 1 1 108 108 LEU HD21 H 1 0.85 0.02 . 1 . . . . 108 LEU HD2 . 6640 1 1171 . 1 1 108 108 LEU HD22 H 1 0.85 0.02 . 1 . . . . 108 LEU HD2 . 6640 1 1172 . 1 1 108 108 LEU HD23 H 1 0.85 0.02 . 1 . . . . 108 LEU HD2 . 6640 1 1173 . 1 1 108 108 LEU C C 13 177.20 0.05 . 1 . . . . 108 LEU C . 6640 1 1174 . 1 1 108 108 LEU CA C 13 54.93 0.05 . 1 . . . . 108 LEU CA . 6640 1 1175 . 1 1 108 108 LEU CB C 13 42.37 0.05 . 1 . . . . 108 LEU CB . 6640 1 1176 . 1 1 108 108 LEU CG C 13 26.93 0.05 . 1 . . . . 108 LEU CG . 6640 1 1177 . 1 1 108 108 LEU CD1 C 13 24.72 0.05 . 2 . . . . 108 LEU CD1 . 6640 1 1178 . 1 1 108 108 LEU CD2 C 13 23.32 0.05 . 2 . . . . 108 LEU CD2 . 6640 1 1179 . 1 1 108 108 LEU N N 15 122.20 0.1 . 1 . . . . 108 LEU N . 6640 1 1180 . 1 1 109 109 MET H H 1 8.31 0.02 . 1 . . . . 109 MET H . 6640 1 1181 . 1 1 109 109 MET HA H 1 4.41 0.02 . 1 . . . . 109 MET HA . 6640 1 1182 . 1 1 109 109 MET HB2 H 1 2.00 0.02 . 1 . . . . 109 MET HB2 . 6640 1 1183 . 1 1 109 109 MET HB3 H 1 2.00 0.02 . 1 . . . . 109 MET HB3 . 6640 1 1184 . 1 1 109 109 MET HG2 H 1 2.50 0.02 . 1 . . . . 109 MET HG2 . 6640 1 1185 . 1 1 109 109 MET HG3 H 1 2.50 0.02 . 1 . . . . 109 MET HG3 . 6640 1 1186 . 1 1 109 109 MET C C 13 175.80 0.05 . 1 . . . . 109 MET C . 6640 1 1187 . 1 1 109 109 MET CA C 13 55.47 0.05 . 1 . . . . 109 MET CA . 6640 1 1188 . 1 1 109 109 MET CB C 13 32.67 0.05 . 1 . . . . 109 MET CB . 6640 1 1189 . 1 1 109 109 MET CG C 13 31.86 0.05 . 1 . . . . 109 MET CG . 6640 1 1190 . 1 1 109 109 MET N N 15 120.90 0.1 . 1 . . . . 109 MET N . 6640 1 1191 . 1 1 110 110 ASN H H 1 8.41 0.02 . 1 . . . . 110 ASN H . 6640 1 1192 . 1 1 110 110 ASN HA H 1 4.64 0.02 . 1 . . . . 110 ASN HA . 6640 1 1193 . 1 1 110 110 ASN HB2 H 1 2.76 0.02 . 1 . . . . 110 ASN HB2 . 6640 1 1194 . 1 1 110 110 ASN HB3 H 1 2.76 0.02 . 1 . . . . 110 ASN HB3 . 6640 1 1195 . 1 1 110 110 ASN HD21 H 1 7.58 0.02 . 1 . . . . 110 ASN HD21 . 6640 1 1196 . 1 1 110 110 ASN HD22 H 1 6.84 0.02 . 1 . . . . 110 ASN HD22 . 6640 1 1197 . 1 1 110 110 ASN C C 13 174.20 0.05 . 1 . . . . 110 ASN C . 6640 1 1198 . 1 1 110 110 ASN CA C 13 53.36 0.05 . 1 . . . . 110 ASN CA . 6640 1 1199 . 1 1 110 110 ASN CB C 13 38.62 0.05 . 1 . . . . 110 ASN CB . 6640 1 1200 . 1 1 110 110 ASN N N 15 119.80 0.1 . 1 . . . . 110 ASN N . 6640 1 1201 . 1 1 110 110 ASN ND2 N 15 113.50 0.1 . 1 . . . . 110 ASN ND2 . 6640 1 1202 . 1 1 111 111 GLU H H 1 7.87 0.02 . 1 . . . . 111 GLU H . 6640 1 1203 . 1 1 111 111 GLU HA H 1 4.17 0.02 . 1 . . . . 111 GLU HA . 6640 1 1204 . 1 1 111 111 GLU HB2 H 1 1.99 0.02 . 1 . . . . 111 GLU HB2 . 6640 1 1205 . 1 1 111 111 GLU HB3 H 1 1.99 0.02 . 1 . . . . 111 GLU HB3 . 6640 1 1206 . 1 1 111 111 GLU CA C 13 56.96 0.05 . 1 . . . . 111 GLU CA . 6640 1 1207 . 1 1 111 111 GLU CB C 13 29.89 0.05 . 1 . . . . 111 GLU CB . 6640 1 1208 . 1 1 111 111 GLU N N 15 125.10 0.1 . 1 . . . . 111 GLU N . 6640 1 stop_ save_