data_6439 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6439 _Entry.Title ; Backbone 1H, 15N and 13C and side-chain 1H and 13C assignments of the rice phytochrome B PAS1 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-12-21 _Entry.Accession_date 2004-12-21 _Entry.Last_release_date 2005-04-08 _Entry.Original_release_date 2005-04-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Toshitatsu Kobayashi . . . 6439 2 Masaki Mishima . . . 6439 3 Kayo Akagi . . . 6439 4 Nobuya Sakai . . . 6439 5 Etsuko Katoh . . . 6439 6 Makoto Takano . . . 6439 7 Toshimasa Yamazaki . . . 6439 8 Chojiro Kojima . . . 6439 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6439 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 459 6439 '15N chemical shifts' 114 6439 '1H chemical shifts' 754 6439 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 . . 2005-04-08 2004-12-21 original author . 6439 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6440 'PAS1-PAS2 domain' 6439 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6439 _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 ; Letter to the Editor: 1H, 15N and 13C backbone and side-chain assignments of the rice phytochrome B PAS1 domain and backbone assignments of the PAS1-PAS2 domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _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 269 _Citation.Page_last 270 _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 Toshitatsu Kobayashi . . . 6439 1 2 Masaki Mishima . . . 6439 1 3 Kayo Akagi . . . 6439 1 4 Nobuya Sakai . . . 6439 1 5 Etsuko Katoh . . . 6439 1 6 Makoto Takano . . . 6439 1 7 Toshimasa Yamazaki . . . 6439 1 8 Chojiro Kojima . . . 6439 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6439 _Assembly.ID 1 _Assembly.Name 'PAS1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 12691 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6439 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Rice phytochrome B PAS1 domain' 1 $PAS1_domain . . . native . . . . . 6439 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'PAS1 monomer' abbreviation 6439 1 'PAS1 monomer' system 6439 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PAS1_domain _Entity.Sf_category entity _Entity.Sf_framecode PAS1_domain _Entity.Entry_ID 6439 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Rice phytochrome B PAS1 domain' _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 ; VRLIETATVPIFAVDTDGCI NGWNAKVAELTGLSVEEAMG KSLVNDLIFKESEETVNKLL SRALRGDEDKNVEIKLKTFG PEQSKGPIFVIVNACSSRDY TKNIVGVCFVGQDVTGQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no GB AFK31030 . "phytochrome b, partial [Oryza rufipogon]" . . . . . 100.00 1171 100.00 100.00 1.08e-72 . . . . 6439 1 2 no GB AFK31032 . "phytochrome b, partial [Oryza rufipogon]" . . . . . 100.00 1171 100.00 100.00 1.08e-72 . . . . 6439 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Rice phytochrome B PAS1 domain' abbreviation 6439 1 'Rice phytochrome B PAS1 domain' common 6439 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 . VAL . 6439 1 2 . ARG . 6439 1 3 . LEU . 6439 1 4 . ILE . 6439 1 5 . GLU . 6439 1 6 . THR . 6439 1 7 . ALA . 6439 1 8 . THR . 6439 1 9 . VAL . 6439 1 10 . PRO . 6439 1 11 . ILE . 6439 1 12 . PHE . 6439 1 13 . ALA . 6439 1 14 . VAL . 6439 1 15 . ASP . 6439 1 16 . THR . 6439 1 17 . ASP . 6439 1 18 . GLY . 6439 1 19 . CYS . 6439 1 20 . ILE . 6439 1 21 . ASN . 6439 1 22 . GLY . 6439 1 23 . TRP . 6439 1 24 . ASN . 6439 1 25 . ALA . 6439 1 26 . LYS . 6439 1 27 . VAL . 6439 1 28 . ALA . 6439 1 29 . GLU . 6439 1 30 . LEU . 6439 1 31 . THR . 6439 1 32 . GLY . 6439 1 33 . LEU . 6439 1 34 . SER . 6439 1 35 . VAL . 6439 1 36 . GLU . 6439 1 37 . GLU . 6439 1 38 . ALA . 6439 1 39 . MET . 6439 1 40 . GLY . 6439 1 41 . LYS . 6439 1 42 . SER . 6439 1 43 . LEU . 6439 1 44 . VAL . 6439 1 45 . ASN . 6439 1 46 . ASP . 6439 1 47 . LEU . 6439 1 48 . ILE . 6439 1 49 . PHE . 6439 1 50 . LYS . 6439 1 51 . GLU . 6439 1 52 . SER . 6439 1 53 . GLU . 6439 1 54 . GLU . 6439 1 55 . THR . 6439 1 56 . VAL . 6439 1 57 . ASN . 6439 1 58 . LYS . 6439 1 59 . LEU . 6439 1 60 . LEU . 6439 1 61 . SER . 6439 1 62 . ARG . 6439 1 63 . ALA . 6439 1 64 . LEU . 6439 1 65 . ARG . 6439 1 66 . GLY . 6439 1 67 . ASP . 6439 1 68 . GLU . 6439 1 69 . ASP . 6439 1 70 . LYS . 6439 1 71 . ASN . 6439 1 72 . VAL . 6439 1 73 . GLU . 6439 1 74 . ILE . 6439 1 75 . LYS . 6439 1 76 . LEU . 6439 1 77 . LYS . 6439 1 78 . THR . 6439 1 79 . PHE . 6439 1 80 . GLY . 6439 1 81 . PRO . 6439 1 82 . GLU . 6439 1 83 . GLN . 6439 1 84 . SER . 6439 1 85 . LYS . 6439 1 86 . GLY . 6439 1 87 . PRO . 6439 1 88 . ILE . 6439 1 89 . PHE . 6439 1 90 . VAL . 6439 1 91 . ILE . 6439 1 92 . VAL . 6439 1 93 . ASN . 6439 1 94 . ALA . 6439 1 95 . CYS . 6439 1 96 . SER . 6439 1 97 . SER . 6439 1 98 . ARG . 6439 1 99 . ASP . 6439 1 100 . TYR . 6439 1 101 . THR . 6439 1 102 . LYS . 6439 1 103 . ASN . 6439 1 104 . ILE . 6439 1 105 . VAL . 6439 1 106 . GLY . 6439 1 107 . VAL . 6439 1 108 . CYS . 6439 1 109 . PHE . 6439 1 110 . VAL . 6439 1 111 . GLY . 6439 1 112 . GLN . 6439 1 113 . ASP . 6439 1 114 . VAL . 6439 1 115 . THR . 6439 1 116 . GLY . 6439 1 117 . GLN . 6439 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 . VAL 1 1 6439 1 . ARG 2 2 6439 1 . LEU 3 3 6439 1 . ILE 4 4 6439 1 . GLU 5 5 6439 1 . THR 6 6 6439 1 . ALA 7 7 6439 1 . THR 8 8 6439 1 . VAL 9 9 6439 1 . PRO 10 10 6439 1 . ILE 11 11 6439 1 . PHE 12 12 6439 1 . ALA 13 13 6439 1 . VAL 14 14 6439 1 . ASP 15 15 6439 1 . THR 16 16 6439 1 . ASP 17 17 6439 1 . GLY 18 18 6439 1 . CYS 19 19 6439 1 . ILE 20 20 6439 1 . ASN 21 21 6439 1 . GLY 22 22 6439 1 . TRP 23 23 6439 1 . ASN 24 24 6439 1 . ALA 25 25 6439 1 . LYS 26 26 6439 1 . VAL 27 27 6439 1 . ALA 28 28 6439 1 . GLU 29 29 6439 1 . LEU 30 30 6439 1 . THR 31 31 6439 1 . GLY 32 32 6439 1 . LEU 33 33 6439 1 . SER 34 34 6439 1 . VAL 35 35 6439 1 . GLU 36 36 6439 1 . GLU 37 37 6439 1 . ALA 38 38 6439 1 . MET 39 39 6439 1 . GLY 40 40 6439 1 . LYS 41 41 6439 1 . SER 42 42 6439 1 . LEU 43 43 6439 1 . VAL 44 44 6439 1 . ASN 45 45 6439 1 . ASP 46 46 6439 1 . LEU 47 47 6439 1 . ILE 48 48 6439 1 . PHE 49 49 6439 1 . LYS 50 50 6439 1 . GLU 51 51 6439 1 . SER 52 52 6439 1 . GLU 53 53 6439 1 . GLU 54 54 6439 1 . THR 55 55 6439 1 . VAL 56 56 6439 1 . ASN 57 57 6439 1 . LYS 58 58 6439 1 . LEU 59 59 6439 1 . LEU 60 60 6439 1 . SER 61 61 6439 1 . ARG 62 62 6439 1 . ALA 63 63 6439 1 . LEU 64 64 6439 1 . ARG 65 65 6439 1 . GLY 66 66 6439 1 . ASP 67 67 6439 1 . GLU 68 68 6439 1 . ASP 69 69 6439 1 . LYS 70 70 6439 1 . ASN 71 71 6439 1 . VAL 72 72 6439 1 . GLU 73 73 6439 1 . ILE 74 74 6439 1 . LYS 75 75 6439 1 . LEU 76 76 6439 1 . LYS 77 77 6439 1 . THR 78 78 6439 1 . PHE 79 79 6439 1 . GLY 80 80 6439 1 . PRO 81 81 6439 1 . GLU 82 82 6439 1 . GLN 83 83 6439 1 . SER 84 84 6439 1 . LYS 85 85 6439 1 . GLY 86 86 6439 1 . PRO 87 87 6439 1 . ILE 88 88 6439 1 . PHE 89 89 6439 1 . VAL 90 90 6439 1 . ILE 91 91 6439 1 . VAL 92 92 6439 1 . ASN 93 93 6439 1 . ALA 94 94 6439 1 . CYS 95 95 6439 1 . SER 96 96 6439 1 . SER 97 97 6439 1 . ARG 98 98 6439 1 . ASP 99 99 6439 1 . TYR 100 100 6439 1 . THR 101 101 6439 1 . LYS 102 102 6439 1 . ASN 103 103 6439 1 . ILE 104 104 6439 1 . VAL 105 105 6439 1 . GLY 106 106 6439 1 . VAL 107 107 6439 1 . CYS 108 108 6439 1 . PHE 109 109 6439 1 . VAL 110 110 6439 1 . GLY 111 111 6439 1 . GLN 112 112 6439 1 . ASP 113 113 6439 1 . VAL 114 114 6439 1 . THR 115 115 6439 1 . GLY 116 116 6439 1 . GLN 117 117 6439 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 6439 _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 $PAS1_domain . 4530 organism . 'Oryza sativa' Rice . . Eukaryota Plantae Oryza sativa . . . . . . . . . . . . . . . . . . . . . 6439 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 6439 _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 $PAS1_domain . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . . . . . . . . . . . 6439 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6439 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Rice phytochrome B PAS1 domain' '[U-13C; U-15N]' . . 1 $PAS1_domain . . 0.8 . . mM . . . . 6439 1 2 'potassium phosphate' . . . . . . . 50 . . mM . . . . 6439 1 3 'potassium chloride' . . . . . . . 20 . . mM . . . . 6439 1 4 dithiothreitol . . . . . . . 5 . . mM . . . . 6439 1 5 'deuterium oxide' [U-2H] . . . . . . 10 . . % . . . . 6439 1 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 6439 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'General details describing conditions of the environment during measurements' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 0.01 M 6439 1 pH 6.8 0.05 pH 6439 1 temperature 303 1 K 6439 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6439 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data aquisition' 6439 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 6439 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 6439 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 6439 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.106 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignments 6439 3 'peak picking' 6439 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6439 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6439 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6439 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 500MHz_spectrometer Bruker AVANCE . 500 . . . 6439 1 2 800MHz_spectrometer Bruker DRX . 800 . . . 6439 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6439 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6439 1 2 3D-HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6439 1 3 3D-HN(CO)CACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6439 1 4 3D-HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6439 1 5 3D-HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6439 1 6 3D-C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6439 1 7 3D-H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6439 1 8 4D-HC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6439 1 9 3D-HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6439 1 10 '15N-edited TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6439 1 11 2D-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6439 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6439 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6439 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 3D-HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6439 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 3D-HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6439 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 3D-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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6439 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 3D-HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6439 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 3D-C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6439 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 3D-H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6439 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 4D-HC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6439 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 3D-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 . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6439 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '15N-edited TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6439 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 2D-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 6439 _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 . external indirect 0.251449530 . . . . . . . . . 6439 1 H 1 DSS 'methyl protons' . . . . ppm . external direct 1.0 . . . . . . . . . 6439 1 N 15 DSS 'methyl protons' . . . . ppm . external indirect 0.101329118 . . . . . . . . . 6439 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 6439 _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 $sample_1 . 6439 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 VAL C C 13 176.232 0 . 1 . . . . . . . . 6439 1 2 . 1 1 1 1 VAL CA C 13 63.163 0 . 1 . . . . . . . . 6439 1 3 . 1 1 1 1 VAL CB C 13 32.448 0 . 1 . . . . . . . . 6439 1 4 . 1 1 1 1 VAL CG1 C 13 21.209 0 . 1 . . . . . . . . 6439 1 5 . 1 1 1 1 VAL CG2 C 13 21.211 0 . 1 . . . . . . . . 6439 1 6 . 1 1 1 1 VAL H H 1 8.031 0 . 1 . . . . . . . . 6439 1 7 . 1 1 1 1 VAL HA H 1 3.943 0 . 1 . . . . . . . . 6439 1 8 . 1 1 1 1 VAL HB H 1 1.997 0 . 1 . . . . . . . . 6439 1 9 . 1 1 1 1 VAL HG11 H 1 0.862 0 . 1 . . . . . . . . 6439 1 10 . 1 1 1 1 VAL HG12 H 1 0.862 0 . 1 . . . . . . . . 6439 1 11 . 1 1 1 1 VAL HG13 H 1 0.862 0 . 1 . . . . . . . . 6439 1 12 . 1 1 1 1 VAL HG21 H 1 0.863 0 . 1 . . . . . . . . 6439 1 13 . 1 1 1 1 VAL HG22 H 1 0.863 0 . 1 . . . . . . . . 6439 1 14 . 1 1 1 1 VAL HG23 H 1 0.863 0 . 1 . . . . . . . . 6439 1 15 . 1 1 1 1 VAL N N 15 121.091 0 . 1 . . . . . . . . 6439 1 16 . 1 1 2 2 ARG C C 13 176.466 0 . 1 . . . . . . . . 6439 1 17 . 1 1 2 2 ARG CA C 13 56.48 0 . 1 . . . . . . . . 6439 1 18 . 1 1 2 2 ARG CB C 13 30.549 0 . 1 . . . . . . . . 6439 1 19 . 1 1 2 2 ARG CD C 13 43.457 0 . 1 . . . . . . . . 6439 1 20 . 1 1 2 2 ARG CG C 13 27.108 0 . 1 . . . . . . . . 6439 1 21 . 1 1 2 2 ARG H H 1 8.224 0 . 1 . . . . . . . . 6439 1 22 . 1 1 2 2 ARG HA H 1 4.252 0 . 1 . . . . . . . . 6439 1 23 . 1 1 2 2 ARG HB2 H 1 1.749 0 . 1 . . . . . . . . 6439 1 24 . 1 1 2 2 ARG HB3 H 1 1.75 0 . 1 . . . . . . . . 6439 1 25 . 1 1 2 2 ARG HD2 H 1 3.136 0 . 1 . . . . . . . . 6439 1 26 . 1 1 2 2 ARG HD3 H 1 3.136 0 . 1 . . . . . . . . 6439 1 27 . 1 1 2 2 ARG HG2 H 1 1.569 0 . 1 . . . . . . . . 6439 1 28 . 1 1 2 2 ARG HG3 H 1 1.568 0 . 1 . . . . . . . . 6439 1 29 . 1 1 2 2 ARG N N 15 124.469 0 . 1 . . . . . . . . 6439 1 30 . 1 1 3 3 LEU C C 13 177.422 0 . 1 . . . . . . . . 6439 1 31 . 1 1 3 3 LEU CA C 13 55.719 0 . 1 . . . . . . . . 6439 1 32 . 1 1 3 3 LEU CB C 13 42.19 0 . 1 . . . . . . . . 6439 1 33 . 1 1 3 3 LEU CD1 C 13 24.978 0 . 2 . . . . . . . . 6439 1 34 . 1 1 3 3 LEU CD2 C 13 23.638 0 . 2 . . . . . . . . 6439 1 35 . 1 1 3 3 LEU CG C 13 26.497 0 . 1 . . . . . . . . 6439 1 36 . 1 1 3 3 LEU H H 1 8.112 0 . 1 . . . . . . . . 6439 1 37 . 1 1 3 3 LEU HA H 1 4.255 0 . 1 . . . . . . . . 6439 1 38 . 1 1 3 3 LEU HB2 H 1 1.575 0 . 1 . . . . . . . . 6439 1 39 . 1 1 3 3 LEU HB3 H 1 1.575 0 . 1 . . . . . . . . 6439 1 40 . 1 1 3 3 LEU HG H 1 1.568 0 . 1 . . . . . . . . 6439 1 41 . 1 1 3 3 LEU HD11 H 1 0.817 0 . 1 . . . . . . . . 6439 1 42 . 1 1 3 3 LEU HD12 H 1 0.817 0 . 1 . . . . . . . . 6439 1 43 . 1 1 3 3 LEU HD13 H 1 0.817 0 . 1 . . . . . . . . 6439 1 44 . 1 1 3 3 LEU HD21 H 1 0.818 0 . 1 . . . . . . . . 6439 1 45 . 1 1 3 3 LEU HD22 H 1 0.818 0 . 1 . . . . . . . . 6439 1 46 . 1 1 3 3 LEU HD23 H 1 0.818 0 . 1 . . . . . . . . 6439 1 47 . 1 1 3 3 LEU N N 15 123.833 0 . 1 . . . . . . . . 6439 1 48 . 1 1 4 4 ILE C C 13 176.731 0 . 1 . . . . . . . . 6439 1 49 . 1 1 4 4 ILE CA C 13 62.133 0 . 1 . . . . . . . . 6439 1 50 . 1 1 4 4 ILE CB C 13 38.467 0 . 1 . . . . . . . . 6439 1 51 . 1 1 4 4 ILE CD1 C 13 12.814 0 . 1 . . . . . . . . 6439 1 52 . 1 1 4 4 ILE CG1 C 13 27.604 0 . 1 . . . . . . . . 6439 1 53 . 1 1 4 4 ILE CG2 C 13 17.463 0 . 1 . . . . . . . . 6439 1 54 . 1 1 4 4 ILE H H 1 7.908 0 . 1 . . . . . . . . 6439 1 55 . 1 1 4 4 ILE HA H 1 4.005 0 . 1 . . . . . . . . 6439 1 56 . 1 1 4 4 ILE HB H 1 1.84 0 . 1 . . . . . . . . 6439 1 57 . 1 1 4 4 ILE HG12 H 1 1.107 0 . 2 . . . . . . . . 6439 1 58 . 1 1 4 4 ILE HG13 H 1 1.463 0 . 2 . . . . . . . . 6439 1 59 . 1 1 4 4 ILE HD11 H 1 0.845 0 . 1 . . . . . . . . 6439 1 60 . 1 1 4 4 ILE HD12 H 1 0.845 0 . 1 . . . . . . . . 6439 1 61 . 1 1 4 4 ILE HD13 H 1 0.845 0 . 1 . . . . . . . . 6439 1 62 . 1 1 4 4 ILE HG21 H 1 0.845 0 . 1 . . . . . . . . 6439 1 63 . 1 1 4 4 ILE HG22 H 1 0.845 0 . 1 . . . . . . . . 6439 1 64 . 1 1 4 4 ILE HG23 H 1 0.845 0 . 1 . . . . . . . . 6439 1 65 . 1 1 4 4 ILE N N 15 120.865 0 . 1 . . . . . . . . 6439 1 66 . 1 1 5 5 GLU C C 13 177.242 0 . 1 . . . . . . . . 6439 1 67 . 1 1 5 5 GLU CA C 13 57.793 0 . 1 . . . . . . . . 6439 1 68 . 1 1 5 5 GLU CB C 13 30.116 0 . 1 . . . . . . . . 6439 1 69 . 1 1 5 5 GLU CG C 13 36.284 0 . 1 . . . . . . . . 6439 1 70 . 1 1 5 5 GLU H H 1 8.405 0 . 1 . . . . . . . . 6439 1 71 . 1 1 5 5 GLU HA H 1 4.315 0 . 1 . . . . . . . . 6439 1 72 . 1 1 5 5 GLU HB2 H 1 2.03 0 . 1 . . . . . . . . 6439 1 73 . 1 1 5 5 GLU HB3 H 1 2.03 0 . 1 . . . . . . . . 6439 1 74 . 1 1 5 5 GLU HG2 H 1 2.284 0 . 1 . . . . . . . . 6439 1 75 . 1 1 5 5 GLU HG3 H 1 2.285 0 . 1 . . . . . . . . 6439 1 76 . 1 1 5 5 GLU N N 15 123.819 0 . 1 . . . . . . . . 6439 1 77 . 1 1 6 6 THR C C 13 174.165 0 . 1 . . . . . . . . 6439 1 78 . 1 1 6 6 THR CA C 13 61.722 0 . 1 . . . . . . . . 6439 1 79 . 1 1 6 6 THR CB C 13 69.369 0 . 1 . . . . . . . . 6439 1 80 . 1 1 6 6 THR CG2 C 13 21.665 0 . 1 . . . . . . . . 6439 1 81 . 1 1 6 6 THR H H 1 7.836 0 . 1 . . . . . . . . 6439 1 82 . 1 1 6 6 THR HA H 1 4.319 0 . 1 . . . . . . . . 6439 1 83 . 1 1 6 6 THR HB H 1 4.317 0 . 1 . . . . . . . . 6439 1 84 . 1 1 6 6 THR HG21 H 1 1.179 0 . 1 . . . . . . . . 6439 1 85 . 1 1 6 6 THR HG22 H 1 1.179 0 . 1 . . . . . . . . 6439 1 86 . 1 1 6 6 THR HG23 H 1 1.179 0 . 1 . . . . . . . . 6439 1 87 . 1 1 6 6 THR N N 15 112.871 0 . 1 . . . . . . . . 6439 1 88 . 1 1 7 7 ALA C C 13 177.813 0 . 1 . . . . . . . . 6439 1 89 . 1 1 7 7 ALA CA C 13 52.474 0 . 1 . . . . . . . . 6439 1 90 . 1 1 7 7 ALA CB C 13 20.219 0 . 1 . . . . . . . . 6439 1 91 . 1 1 7 7 ALA H H 1 8.016 0 . 1 . . . . . . . . 6439 1 92 . 1 1 7 7 ALA HA H 1 4.439 0 . 1 . . . . . . . . 6439 1 93 . 1 1 7 7 ALA HB1 H 1 1.462 0 . 1 . . . . . . . . 6439 1 94 . 1 1 7 7 ALA HB2 H 1 1.462 0 . 1 . . . . . . . . 6439 1 95 . 1 1 7 7 ALA HB3 H 1 1.462 0 . 1 . . . . . . . . 6439 1 96 . 1 1 7 7 ALA N N 15 126.149 0 . 1 . . . . . . . . 6439 1 97 . 1 1 8 8 THR C C 13 174.013 0 . 1 . . . . . . . . 6439 1 98 . 1 1 8 8 THR CA C 13 62.232 0 . 1 . . . . . . . . 6439 1 99 . 1 1 8 8 THR CB C 13 68.839 0 . 1 . . . . . . . . 6439 1 100 . 1 1 8 8 THR CG2 C 13 21.995 0 . 1 . . . . . . . . 6439 1 101 . 1 1 8 8 THR H H 1 8.376 0 . 1 . . . . . . . . 6439 1 102 . 1 1 8 8 THR HA H 1 4.236 0 . 1 . . . . . . . . 6439 1 103 . 1 1 8 8 THR HB H 1 4.377 0 . 1 . . . . . . . . 6439 1 104 . 1 1 8 8 THR HG21 H 1 1.19 0 . 1 . . . . . . . . 6439 1 105 . 1 1 8 8 THR HG22 H 1 1.19 0 . 1 . . . . . . . . 6439 1 106 . 1 1 8 8 THR HG23 H 1 1.19 0 . 1 . . . . . . . . 6439 1 107 . 1 1 8 8 THR N N 15 110.796 0 . 1 . . . . . . . . 6439 1 108 . 1 1 9 9 VAL C C 13 172.83 0 . 1 . . . . . . . . 6439 1 109 . 1 1 9 9 VAL CA C 13 57.37 0 . 1 . . . . . . . . 6439 1 110 . 1 1 9 9 VAL CB C 13 33.185 0 . 1 . . . . . . . . 6439 1 111 . 1 1 9 9 VAL H H 1 7.04 0 . 1 . . . . . . . . 6439 1 112 . 1 1 9 9 VAL HA H 1 4.66 0 . 1 . . . . . . . . 6439 1 113 . 1 1 9 9 VAL HB H 1 1.476 0 . 1 . . . . . . . . 6439 1 114 . 1 1 9 9 VAL HG11 H 1 0.747 0 . 1 . . . . . . . . 6439 1 115 . 1 1 9 9 VAL HG12 H 1 0.747 0 . 1 . . . . . . . . 6439 1 116 . 1 1 9 9 VAL HG13 H 1 0.747 0 . 1 . . . . . . . . 6439 1 117 . 1 1 9 9 VAL HG21 H 1 0.745 0 . 1 . . . . . . . . 6439 1 118 . 1 1 9 9 VAL HG22 H 1 0.745 0 . 1 . . . . . . . . 6439 1 119 . 1 1 9 9 VAL HG23 H 1 0.745 0 . 1 . . . . . . . . 6439 1 120 . 1 1 9 9 VAL N N 15 113.496 0 . 1 . . . . . . . . 6439 1 121 . 1 1 10 10 PRO C C 13 174.796 0 . 1 . . . . . . . . 6439 1 122 . 1 1 10 10 PRO CA C 13 62.826 0 . 1 . . . . . . . . 6439 1 123 . 1 1 10 10 PRO CB C 13 32.51 0 . 1 . . . . . . . . 6439 1 124 . 1 1 10 10 PRO CG C 13 27.812 0 . 1 . . . . . . . . 6439 1 125 . 1 1 10 10 PRO HA H 1 4.347 0 . 1 . . . . . . . . 6439 1 126 . 1 1 10 10 PRO HB2 H 1 1.582 0 . 1 . . . . . . . . 6439 1 127 . 1 1 10 10 PRO HB3 H 1 1.581 0 . 1 . . . . . . . . 6439 1 128 . 1 1 10 10 PRO HG2 H 1 1.858 0 . 2 . . . . . . . . 6439 1 129 . 1 1 10 10 PRO HG3 H 1 2.091 0 . 2 . . . . . . . . 6439 1 130 . 1 1 11 11 ILE C C 13 173.742 0 . 1 . . . . . . . . 6439 1 131 . 1 1 11 11 ILE CA C 13 61.279 0 . 1 . . . . . . . . 6439 1 132 . 1 1 11 11 ILE CB C 13 41.82 0 . 1 . . . . . . . . 6439 1 133 . 1 1 11 11 ILE CG1 C 13 28.508 0 . 1 . . . . . . . . 6439 1 134 . 1 1 11 11 ILE CG2 C 13 17.531 0 . 1 . . . . . . . . 6439 1 135 . 1 1 11 11 ILE H H 1 7.601 0 . 1 . . . . . . . . 6439 1 136 . 1 1 11 11 ILE HA H 1 4.867 0 . 1 . . . . . . . . 6439 1 137 . 1 1 11 11 ILE HB H 1 1.464 0 . 1 . . . . . . . . 6439 1 138 . 1 1 11 11 ILE HG12 H 1 0.975 0 . 2 . . . . . . . . 6439 1 139 . 1 1 11 11 ILE HG13 H 1 1.66 0 . 2 . . . . . . . . 6439 1 140 . 1 1 11 11 ILE HG21 H 1 0.713 0 . 1 . . . . . . . . 6439 1 141 . 1 1 11 11 ILE HG22 H 1 0.713 0 . 1 . . . . . . . . 6439 1 142 . 1 1 11 11 ILE HG23 H 1 0.713 0 . 1 . . . . . . . . 6439 1 143 . 1 1 11 11 ILE N N 15 121.26 0 . 1 . . . . . . . . 6439 1 144 . 1 1 12 12 PHE C C 13 172.111 0 . 1 . . . . . . . . 6439 1 145 . 1 1 12 12 PHE CA C 13 54.374 0 . 1 . . . . . . . . 6439 1 146 . 1 1 12 12 PHE CB C 13 42.815 0 . 1 . . . . . . . . 6439 1 147 . 1 1 12 12 PHE H H 1 8.216 0 . 1 . . . . . . . . 6439 1 148 . 1 1 12 12 PHE HA H 1 5.111 0 . 1 . . . . . . . . 6439 1 149 . 1 1 12 12 PHE HB2 H 1 3.225 0 . 2 . . . . . . . . 6439 1 150 . 1 1 12 12 PHE HB3 H 1 3.559 0 . 2 . . . . . . . . 6439 1 151 . 1 1 12 12 PHE HD1 H 1 6.735 0 . 1 . . . . . . . . 6439 1 152 . 1 1 12 12 PHE HE1 H 1 6.53 0 . 1 . . . . . . . . 6439 1 153 . 1 1 12 12 PHE HZ H 1 6.306 0 . 1 . . . . . . . . 6439 1 154 . 1 1 12 12 PHE N N 15 122.051 0 . 1 . . . . . . . . 6439 1 155 . 1 1 13 13 ALA C C 13 176.341 0 . 1 . . . . . . . . 6439 1 156 . 1 1 13 13 ALA CA C 13 51.042 0 . 1 . . . . . . . . 6439 1 157 . 1 1 13 13 ALA CB C 13 23.736 0 . 1 . . . . . . . . 6439 1 158 . 1 1 13 13 ALA H H 1 9.271 0 . 1 . . . . . . . . 6439 1 159 . 1 1 13 13 ALA HA H 1 5.631 0 . 1 . . . . . . . . 6439 1 160 . 1 1 13 13 ALA HB1 H 1 1.451 0 . 1 . . . . . . . . 6439 1 161 . 1 1 13 13 ALA HB2 H 1 1.451 0 . 1 . . . . . . . . 6439 1 162 . 1 1 13 13 ALA HB3 H 1 1.451 0 . 1 . . . . . . . . 6439 1 163 . 1 1 13 13 ALA N N 15 124.068 0 . 1 . . . . . . . . 6439 1 164 . 1 1 14 14 VAL C C 13 176.258 0 . 1 . . . . . . . . 6439 1 165 . 1 1 14 14 VAL CA C 13 57.781 0 . 1 . . . . . . . . 6439 1 166 . 1 1 14 14 VAL CB C 13 36.36 0 . 1 . . . . . . . . 6439 1 167 . 1 1 14 14 VAL CG1 C 13 19.815 0 . 2 . . . . . . . . 6439 1 168 . 1 1 14 14 VAL CG2 C 13 23.332 0 . 2 . . . . . . . . 6439 1 169 . 1 1 14 14 VAL H H 1 9.151 0 . 1 . . . . . . . . 6439 1 170 . 1 1 14 14 VAL HA H 1 5.378 0 . 1 . . . . . . . . 6439 1 171 . 1 1 14 14 VAL HB H 1 2.128 0 . 1 . . . . . . . . 6439 1 172 . 1 1 14 14 VAL HG11 H 1 1.167 0 . 2 . . . . . . . . 6439 1 173 . 1 1 14 14 VAL HG12 H 1 1.167 0 . 2 . . . . . . . . 6439 1 174 . 1 1 14 14 VAL HG13 H 1 1.167 0 . 2 . . . . . . . . 6439 1 175 . 1 1 14 14 VAL HG21 H 1 0.995 0 . 2 . . . . . . . . 6439 1 176 . 1 1 14 14 VAL HG22 H 1 0.995 0 . 2 . . . . . . . . 6439 1 177 . 1 1 14 14 VAL HG23 H 1 0.995 0 . 2 . . . . . . . . 6439 1 178 . 1 1 14 14 VAL N N 15 111.152 0 . 1 . . . . . . . . 6439 1 179 . 1 1 15 15 ASP C C 13 177.764 0 . 1 . . . . . . . . 6439 1 180 . 1 1 15 15 ASP CA C 13 52.611 0 . 1 . . . . . . . . 6439 1 181 . 1 1 15 15 ASP CB C 13 41.508 0 . 1 . . . . . . . . 6439 1 182 . 1 1 15 15 ASP H H 1 8.481 0 . 1 . . . . . . . . 6439 1 183 . 1 1 15 15 ASP HA H 1 4.873 0 . 1 . . . . . . . . 6439 1 184 . 1 1 15 15 ASP HB2 H 1 2.735 0 . 2 . . . . . . . . 6439 1 185 . 1 1 15 15 ASP HB3 H 1 3.517 0 . 2 . . . . . . . . 6439 1 186 . 1 1 15 15 ASP N N 15 121.818 0 . 1 . . . . . . . . 6439 1 187 . 1 1 16 16 THR C C 13 175.146 0 . 1 . . . . . . . . 6439 1 188 . 1 1 16 16 THR CA C 13 64.638 0 . 1 . . . . . . . . 6439 1 189 . 1 1 16 16 THR CB C 13 68.075 0 . 1 . . . . . . . . 6439 1 190 . 1 1 16 16 THR CG2 C 13 21.738 0 . 1 . . . . . . . . 6439 1 191 . 1 1 16 16 THR H H 1 7.647 0 . 1 . . . . . . . . 6439 1 192 . 1 1 16 16 THR HA H 1 3.914 0 . 1 . . . . . . . . 6439 1 193 . 1 1 16 16 THR HB H 1 4.382 0 . 1 . . . . . . . . 6439 1 194 . 1 1 16 16 THR HG21 H 1 1.124 0 . 1 . . . . . . . . 6439 1 195 . 1 1 16 16 THR HG22 H 1 1.124 0 . 1 . . . . . . . . 6439 1 196 . 1 1 16 16 THR HG23 H 1 1.124 0 . 1 . . . . . . . . 6439 1 197 . 1 1 16 16 THR N N 15 106.294 0 . 1 . . . . . . . . 6439 1 198 . 1 1 17 17 ASP C C 13 176.627 0 . 1 . . . . . . . . 6439 1 199 . 1 1 17 17 ASP CA C 13 54.17 0 . 1 . . . . . . . . 6439 1 200 . 1 1 17 17 ASP CB C 13 42.034 0 . 1 . . . . . . . . 6439 1 201 . 1 1 17 17 ASP H H 1 8.113 0 . 1 . . . . . . . . 6439 1 202 . 1 1 17 17 ASP HA H 1 4.856 0 . 1 . . . . . . . . 6439 1 203 . 1 1 17 17 ASP HB2 H 1 2.697 0 . 2 . . . . . . . . 6439 1 204 . 1 1 17 17 ASP HB3 H 1 2.891 0 . 2 . . . . . . . . 6439 1 205 . 1 1 17 17 ASP N N 15 120.846 0 . 1 . . . . . . . . 6439 1 206 . 1 1 18 18 GLY C C 13 174.372 0 . 1 . . . . . . . . 6439 1 207 . 1 1 18 18 GLY CA C 13 45.919 0 . 1 . . . . . . . . 6439 1 208 . 1 1 18 18 GLY H H 1 8.281 0 . 1 . . . . . . . . 6439 1 209 . 1 1 18 18 GLY HA2 H 1 3.457 0 . 2 . . . . . . . . 6439 1 210 . 1 1 18 18 GLY HA3 H 1 4.252 0 . 2 . . . . . . . . 6439 1 211 . 1 1 18 18 GLY N N 15 107.985 0 . 1 . . . . . . . . 6439 1 212 . 1 1 19 19 CYS C C 13 175.185 0 . 1 . . . . . . . . 6439 1 213 . 1 1 19 19 CYS CA C 13 58.334 0 . 1 . . . . . . . . 6439 1 214 . 1 1 19 19 CYS CB C 13 28.835 0 . 1 . . . . . . . . 6439 1 215 . 1 1 19 19 CYS H H 1 8.575 0 . 1 . . . . . . . . 6439 1 216 . 1 1 19 19 CYS HA H 1 5.218 0 . 1 . . . . . . . . 6439 1 217 . 1 1 19 19 CYS HB2 H 1 3.237 0 . 2 . . . . . . . . 6439 1 218 . 1 1 19 19 CYS HB3 H 1 2.313 0 . 2 . . . . . . . . 6439 1 219 . 1 1 19 19 CYS N N 15 121.492 0 . 1 . . . . . . . . 6439 1 220 . 1 1 20 20 ILE C C 13 178.635 0 . 1 . . . . . . . . 6439 1 221 . 1 1 20 20 ILE CA C 13 59.258 0 . 1 . . . . . . . . 6439 1 222 . 1 1 20 20 ILE CB C 13 35.972 0 . 1 . . . . . . . . 6439 1 223 . 1 1 20 20 ILE CG1 C 13 26.541 0 . 1 . . . . . . . . 6439 1 224 . 1 1 20 20 ILE CG2 C 13 18.078 0 . 1 . . . . . . . . 6439 1 225 . 1 1 20 20 ILE H H 1 9.207 0 . 1 . . . . . . . . 6439 1 226 . 1 1 20 20 ILE HA H 1 4.716 0 . 1 . . . . . . . . 6439 1 227 . 1 1 20 20 ILE HB H 1 2.377 0 . 1 . . . . . . . . 6439 1 228 . 1 1 20 20 ILE HG12 H 1 1.044 0 . 2 . . . . . . . . 6439 1 229 . 1 1 20 20 ILE HG13 H 1 1.544 0 . 2 . . . . . . . . 6439 1 230 . 1 1 20 20 ILE HG21 H 1 1.055 0 . 1 . . . . . . . . 6439 1 231 . 1 1 20 20 ILE HG22 H 1 1.055 0 . 1 . . . . . . . . 6439 1 232 . 1 1 20 20 ILE HG23 H 1 1.055 0 . 1 . . . . . . . . 6439 1 233 . 1 1 20 20 ILE N N 15 123.681 0 . 1 . . . . . . . . 6439 1 234 . 1 1 21 21 ASN C C 13 175.15 0 . 1 . . . . . . . . 6439 1 235 . 1 1 21 21 ASN CA C 13 52.23 0 . 1 . . . . . . . . 6439 1 236 . 1 1 21 21 ASN CB C 13 38.314 0 . 1 . . . . . . . . 6439 1 237 . 1 1 21 21 ASN H H 1 9.482 0 . 1 . . . . . . . . 6439 1 238 . 1 1 21 21 ASN HA H 1 4.915 0 . 1 . . . . . . . . 6439 1 239 . 1 1 21 21 ASN HB2 H 1 2.665 0 . 2 . . . . . . . . 6439 1 240 . 1 1 21 21 ASN HB3 H 1 3.197 0 . 2 . . . . . . . . 6439 1 241 . 1 1 21 21 ASN N N 15 127.277 0 . 1 . . . . . . . . 6439 1 242 . 1 1 22 22 GLY C C 13 171.941 0 . 1 . . . . . . . . 6439 1 243 . 1 1 22 22 GLY CA C 13 46.599 0 . 1 . . . . . . . . 6439 1 244 . 1 1 22 22 GLY H H 1 7.801 0 . 1 . . . . . . . . 6439 1 245 . 1 1 22 22 GLY HA2 H 1 3.702 0 . 2 . . . . . . . . 6439 1 246 . 1 1 22 22 GLY HA3 H 1 4.344 0 . 2 . . . . . . . . 6439 1 247 . 1 1 22 22 GLY N N 15 108.937 0 . 1 . . . . . . . . 6439 1 248 . 1 1 23 23 TRP C C 13 173.086 0 . 1 . . . . . . . . 6439 1 249 . 1 1 23 23 TRP CA C 13 58.008 0 . 1 . . . . . . . . 6439 1 250 . 1 1 23 23 TRP CB C 13 32.276 0 . 1 . . . . . . . . 6439 1 251 . 1 1 23 23 TRP H H 1 8.864 0 . 1 . . . . . . . . 6439 1 252 . 1 1 23 23 TRP HA H 1 4.864 0 . 1 . . . . . . . . 6439 1 253 . 1 1 23 23 TRP HB2 H 1 2.889 0 . 2 . . . . . . . . 6439 1 254 . 1 1 23 23 TRP HB3 H 1 3.369 0 . 2 . . . . . . . . 6439 1 255 . 1 1 23 23 TRP HD1 H 1 6.618 0 . 1 . . . . . . . . 6439 1 256 . 1 1 23 23 TRP HE1 H 1 9.777 0 . 1 . . . . . . . . 6439 1 257 . 1 1 23 23 TRP HE3 H 1 7.848 0 . 1 . . . . . . . . 6439 1 258 . 1 1 23 23 TRP HH2 H 1 6.852 0 . 1 . . . . . . . . 6439 1 259 . 1 1 23 23 TRP HZ2 H 1 7.686 0 . 1 . . . . . . . . 6439 1 260 . 1 1 23 23 TRP HZ3 H 1 6.303 0 . 1 . . . . . . . . 6439 1 261 . 1 1 23 23 TRP N N 15 106.438 0 . 1 . . . . . . . . 6439 1 262 . 1 1 24 24 ASN C C 13 173.782 0 . 1 . . . . . . . . 6439 1 263 . 1 1 24 24 ASN CA C 13 51.676 0 . 1 . . . . . . . . 6439 1 264 . 1 1 24 24 ASN CB C 13 39.308 0 . 1 . . . . . . . . 6439 1 265 . 1 1 24 24 ASN H H 1 7.974 0 . 1 . . . . . . . . 6439 1 266 . 1 1 24 24 ASN HA H 1 4.797 0 . 1 . . . . . . . . 6439 1 267 . 1 1 24 24 ASN HB2 H 1 2.842 0 . 2 . . . . . . . . 6439 1 268 . 1 1 24 24 ASN HB3 H 1 3.638 0 . 2 . . . . . . . . 6439 1 269 . 1 1 24 24 ASN N N 15 125.628 0 . 1 . . . . . . . . 6439 1 270 . 1 1 25 25 ALA C C 13 180.414 0 . 1 . . . . . . . . 6439 1 271 . 1 1 25 25 ALA CA C 13 54.868 0 . 1 . . . . . . . . 6439 1 272 . 1 1 25 25 ALA CB C 13 18.021 0 . 1 . . . . . . . . 6439 1 273 . 1 1 25 25 ALA H H 1 8.232 0 . 1 . . . . . . . . 6439 1 274 . 1 1 25 25 ALA HA H 1 4.05 0 . 1 . . . . . . . . 6439 1 275 . 1 1 25 25 ALA HB1 H 1 1.418 0 . 1 . . . . . . . . 6439 1 276 . 1 1 25 25 ALA HB2 H 1 1.418 0 . 1 . . . . . . . . 6439 1 277 . 1 1 25 25 ALA HB3 H 1 1.418 0 . 1 . . . . . . . . 6439 1 278 . 1 1 25 25 ALA N N 15 119.655 0 . 1 . . . . . . . . 6439 1 279 . 1 1 26 26 LYS C C 13 177.766 0 . 1 . . . . . . . . 6439 1 280 . 1 1 26 26 LYS CA C 13 56.792 0 . 1 . . . . . . . . 6439 1 281 . 1 1 26 26 LYS CB C 13 30.15 0 . 1 . . . . . . . . 6439 1 282 . 1 1 26 26 LYS CG C 13 24.251 0 . 1 . . . . . . . . 6439 1 283 . 1 1 26 26 LYS H H 1 7.248 0 . 1 . . . . . . . . 6439 1 284 . 1 1 26 26 LYS HA H 1 4.172 0 . 1 . . . . . . . . 6439 1 285 . 1 1 26 26 LYS HB2 H 1 1.609 0 . 2 . . . . . . . . 6439 1 286 . 1 1 26 26 LYS HB3 H 1 1.457 0 . 2 . . . . . . . . 6439 1 287 . 1 1 26 26 LYS HG2 H 1 1.001 0 . 1 . . . . . . . . 6439 1 288 . 1 1 26 26 LYS HG3 H 1 1.001 0 . 1 . . . . . . . . 6439 1 289 . 1 1 26 26 LYS N N 15 116.653 0 . 1 . . . . . . . . 6439 1 290 . 1 1 27 27 VAL C C 13 177.523 0 . 1 . . . . . . . . 6439 1 291 . 1 1 27 27 VAL CA C 13 65.171 0 . 1 . . . . . . . . 6439 1 292 . 1 1 27 27 VAL CB C 13 31.425 0 . 1 . . . . . . . . 6439 1 293 . 1 1 27 27 VAL CG1 C 13 22.786 0 . 1 . . . . . . . . 6439 1 294 . 1 1 27 27 VAL CG2 C 13 18.976 0 . 1 . . . . . . . . 6439 1 295 . 1 1 27 27 VAL H H 1 7.954 0 . 1 . . . . . . . . 6439 1 296 . 1 1 27 27 VAL HA H 1 3.732 0 . 1 . . . . . . . . 6439 1 297 . 1 1 27 27 VAL HB H 1 1.385 0 . 1 . . . . . . . . 6439 1 298 . 1 1 27 27 VAL HG11 H 1 0.102 0 . 2 . . . . . . . . 6439 1 299 . 1 1 27 27 VAL HG12 H 1 0.102 0 . 2 . . . . . . . . 6439 1 300 . 1 1 27 27 VAL HG13 H 1 0.102 0 . 2 . . . . . . . . 6439 1 301 . 1 1 27 27 VAL HG21 H 1 -0.194 0 . 2 . . . . . . . . 6439 1 302 . 1 1 27 27 VAL HG22 H 1 -0.194 0 . 2 . . . . . . . . 6439 1 303 . 1 1 27 27 VAL HG23 H 1 -0.194 0 . 2 . . . . . . . . 6439 1 304 . 1 1 27 27 VAL N N 15 120.095 0 . 1 . . . . . . . . 6439 1 305 . 1 1 28 28 ALA C C 13 180.26 0 . 1 . . . . . . . . 6439 1 306 . 1 1 28 28 ALA CA C 13 55.582 0 . 1 . . . . . . . . 6439 1 307 . 1 1 28 28 ALA CB C 13 18.596 0 . 1 . . . . . . . . 6439 1 308 . 1 1 28 28 ALA H H 1 7.591 0 . 1 . . . . . . . . 6439 1 309 . 1 1 28 28 ALA HA H 1 4.554 0 . 1 . . . . . . . . 6439 1 310 . 1 1 28 28 ALA HB1 H 1 1.566 0 . 1 . . . . . . . . 6439 1 311 . 1 1 28 28 ALA HB2 H 1 1.566 0 . 1 . . . . . . . . 6439 1 312 . 1 1 28 28 ALA HB3 H 1 1.566 0 . 1 . . . . . . . . 6439 1 313 . 1 1 28 28 ALA N N 15 129.358 0 . 1 . . . . . . . . 6439 1 314 . 1 1 29 29 GLU C C 13 179.166 0 . 1 . . . . . . . . 6439 1 315 . 1 1 29 29 GLU CA C 13 58.997 0 . 1 . . . . . . . . 6439 1 316 . 1 1 29 29 GLU CB C 13 30.093 0 . 1 . . . . . . . . 6439 1 317 . 1 1 29 29 GLU CG C 13 36.118 0 . 1 . . . . . . . . 6439 1 318 . 1 1 29 29 GLU H H 1 7.984 0 . 1 . . . . . . . . 6439 1 319 . 1 1 29 29 GLU HA H 1 3.896 0 . 1 . . . . . . . . 6439 1 320 . 1 1 29 29 GLU HB2 H 1 2.044 0 . 1 . . . . . . . . 6439 1 321 . 1 1 29 29 GLU HB3 H 1 2.044 0 . 1 . . . . . . . . 6439 1 322 . 1 1 29 29 GLU HG2 H 1 2.321 0 . 1 . . . . . . . . 6439 1 323 . 1 1 29 29 GLU HG3 H 1 2.321 0 . 1 . . . . . . . . 6439 1 324 . 1 1 29 29 GLU N N 15 121.336 0 . 1 . . . . . . . . 6439 1 325 . 1 1 30 30 LEU C C 13 178.473 0 . 1 . . . . . . . . 6439 1 326 . 1 1 30 30 LEU CA C 13 57.228 0 . 1 . . . . . . . . 6439 1 327 . 1 1 30 30 LEU CB C 13 43.417 0 . 1 . . . . . . . . 6439 1 328 . 1 1 30 30 LEU CD1 C 13 22.43 0 . 1 . . . . . . . . 6439 1 329 . 1 1 30 30 LEU CD2 C 13 22.422 0 . 1 . . . . . . . . 6439 1 330 . 1 1 30 30 LEU CG C 13 25.456 0 . 1 . . . . . . . . 6439 1 331 . 1 1 30 30 LEU H H 1 8.016 0 . 1 . . . . . . . . 6439 1 332 . 1 1 30 30 LEU HA H 1 4.029 0 . 1 . . . . . . . . 6439 1 333 . 1 1 30 30 LEU HB2 H 1 1.357 0 . 2 . . . . . . . . 6439 1 334 . 1 1 30 30 LEU HB3 H 1 1.689 0 . 2 . . . . . . . . 6439 1 335 . 1 1 30 30 LEU HG H 1 0.72 0 . 1 . . . . . . . . 6439 1 336 . 1 1 30 30 LEU HD21 H 1 0.783 0 . 1 . . . . . . . . 6439 1 337 . 1 1 30 30 LEU HD22 H 1 0.783 0 . 1 . . . . . . . . 6439 1 338 . 1 1 30 30 LEU HD23 H 1 0.783 0 . 1 . . . . . . . . 6439 1 339 . 1 1 30 30 LEU N N 15 117.487 0 . 1 . . . . . . . . 6439 1 340 . 1 1 30 30 LEU HD11 H 1 0.784 0 . 1 . . . . . . . . 6439 1 341 . 1 1 30 30 LEU HD12 H 1 0.784 0 . 1 . . . . . . . . 6439 1 342 . 1 1 30 30 LEU HD13 H 1 0.784 0 . 1 . . . . . . . . 6439 1 343 . 1 1 31 31 THR C C 13 176.18 0 . 1 . . . . . . . . 6439 1 344 . 1 1 31 31 THR CA C 13 63.319 0 . 1 . . . . . . . . 6439 1 345 . 1 1 31 31 THR CB C 13 73.109 0 . 1 . . . . . . . . 6439 1 346 . 1 1 31 31 THR H H 1 7.783 0 . 1 . . . . . . . . 6439 1 347 . 1 1 31 31 THR HA H 1 4.258 0 . 1 . . . . . . . . 6439 1 348 . 1 1 31 31 THR N N 15 128.592 0 . 1 . . . . . . . . 6439 1 349 . 1 1 31 31 THR CG2 C 13 22.492 0 . 1 . . . . . . . . 6439 1 350 . 1 1 31 31 THR HB H 1 4.671 0 . 1 . . . . . . . . 6439 1 351 . 1 1 31 31 THR HG21 H 1 1.399 0 . 1 . . . . . . . . 6439 1 352 . 1 1 31 31 THR HG22 H 1 1.399 0 . 1 . . . . . . . . 6439 1 353 . 1 1 31 31 THR HG23 H 1 1.399 0 . 1 . . . . . . . . 6439 1 354 . 1 1 32 32 GLY C C 13 172.555 0 . 1 . . . . . . . . 6439 1 355 . 1 1 32 32 GLY CA C 13 45.689 0 . 1 . . . . . . . . 6439 1 356 . 1 1 32 32 GLY HA2 H 1 3.74 0 . 2 . . . . . . . . 6439 1 357 . 1 1 32 32 GLY HA3 H 1 4.539 0 . 2 . . . . . . . . 6439 1 358 . 1 1 32 32 GLY H H 1 7.91 0 . 1 . . . . . . . . 6439 1 359 . 1 1 32 32 GLY N N 15 110.205 0 . 1 . . . . . . . . 6439 1 360 . 1 1 33 33 LEU C C 13 174.793 0 . 1 . . . . . . . . 6439 1 361 . 1 1 33 33 LEU CA C 13 52.977 0 . 1 . . . . . . . . 6439 1 362 . 1 1 33 33 LEU CB C 13 43.412 0 . 1 . . . . . . . . 6439 1 363 . 1 1 33 33 LEU H H 1 8.156 0 . 1 . . . . . . . . 6439 1 364 . 1 1 33 33 LEU HA H 1 4.412 0 . 1 . . . . . . . . 6439 1 365 . 1 1 33 33 LEU N N 15 125.056 0 . 1 . . . . . . . . 6439 1 366 . 1 1 33 33 LEU CD1 C 13 23.525 0 . 2 . . . . . . . . 6439 1 367 . 1 1 33 33 LEU CD2 C 13 23.519 0 . 2 . . . . . . . . 6439 1 368 . 1 1 33 33 LEU CG C 13 25.75 0 . 1 . . . . . . . . 6439 1 369 . 1 1 33 33 LEU HB2 H 1 1.98 0 . 2 . . . . . . . . 6439 1 370 . 1 1 33 33 LEU HB3 H 1 0.915 0 . 2 . . . . . . . . 6439 1 371 . 1 1 33 33 LEU HG H 1 -0.156 0 . 1 . . . . . . . . 6439 1 372 . 1 1 33 33 LEU HD11 H 1 -0.018 0 . 2 . . . . . . . . 6439 1 373 . 1 1 33 33 LEU HD12 H 1 -0.018 0 . 2 . . . . . . . . 6439 1 374 . 1 1 33 33 LEU HD13 H 1 -0.018 0 . 2 . . . . . . . . 6439 1 375 . 1 1 33 33 LEU HD21 H 1 -0.004 0 . 2 . . . . . . . . 6439 1 376 . 1 1 33 33 LEU HD22 H 1 -0.004 0 . 2 . . . . . . . . 6439 1 377 . 1 1 33 33 LEU HD23 H 1 -0.004 0 . 2 . . . . . . . . 6439 1 378 . 1 1 34 34 SER C C 13 174.348 0 . 1 . . . . . . . . 6439 1 379 . 1 1 34 34 SER CA C 13 58.177 0 . 1 . . . . . . . . 6439 1 380 . 1 1 34 34 SER CB C 13 64.862 0 . 1 . . . . . . . . 6439 1 381 . 1 1 34 34 SER H H 1 8.373 0 . 1 . . . . . . . . 6439 1 382 . 1 1 34 34 SER HA H 1 4.364 0 . 1 . . . . . . . . 6439 1 383 . 1 1 34 34 SER HB2 H 1 3.993 0 . 2 . . . . . . . . 6439 1 384 . 1 1 34 34 SER HB3 H 1 4.254 0 . 2 . . . . . . . . 6439 1 385 . 1 1 34 34 SER N N 15 122.813 0 . 1 . . . . . . . . 6439 1 386 . 1 1 35 35 VAL C C 13 176.708 0 . 1 . . . . . . . . 6439 1 387 . 1 1 35 35 VAL CA C 13 66.578 0 . 1 . . . . . . . . 6439 1 388 . 1 1 35 35 VAL CB C 13 31.938 0 . 1 . . . . . . . . 6439 1 389 . 1 1 35 35 VAL CG1 C 13 20.692 0 . 2 . . . . . . . . 6439 1 390 . 1 1 35 35 VAL CG2 C 13 22.517 0 . 2 . . . . . . . . 6439 1 391 . 1 1 35 35 VAL H H 1 8.701 0 . 1 . . . . . . . . 6439 1 392 . 1 1 35 35 VAL HA H 1 3.679 0 . 1 . . . . . . . . 6439 1 393 . 1 1 35 35 VAL HB H 1 2.182 0 . 1 . . . . . . . . 6439 1 394 . 1 1 35 35 VAL HG11 H 1 1.062 0 . 2 . . . . . . . . 6439 1 395 . 1 1 35 35 VAL HG12 H 1 1.062 0 . 2 . . . . . . . . 6439 1 396 . 1 1 35 35 VAL HG13 H 1 1.062 0 . 2 . . . . . . . . 6439 1 397 . 1 1 35 35 VAL HG21 H 1 1.275 0 . 2 . . . . . . . . 6439 1 398 . 1 1 35 35 VAL HG22 H 1 1.275 0 . 2 . . . . . . . . 6439 1 399 . 1 1 35 35 VAL HG23 H 1 1.275 0 . 2 . . . . . . . . 6439 1 400 . 1 1 35 35 VAL N N 15 120.452 0 . 1 . . . . . . . . 6439 1 401 . 1 1 36 36 GLU C C 13 178.863 0 . 1 . . . . . . . . 6439 1 402 . 1 1 36 36 GLU CA C 13 59.965 0 . 1 . . . . . . . . 6439 1 403 . 1 1 36 36 GLU CB C 13 28.869 0 . 1 . . . . . . . . 6439 1 404 . 1 1 36 36 GLU CG C 13 36.945 0 . 1 . . . . . . . . 6439 1 405 . 1 1 36 36 GLU H H 1 8.407 0 . 1 . . . . . . . . 6439 1 406 . 1 1 36 36 GLU HA H 1 3.821 0 . 1 . . . . . . . . 6439 1 407 . 1 1 36 36 GLU HB2 H 1 1.869 0 . 1 . . . . . . . . 6439 1 408 . 1 1 36 36 GLU HB3 H 1 1.87 0 . 1 . . . . . . . . 6439 1 409 . 1 1 36 36 GLU HG2 H 1 2.34 0 . 2 . . . . . . . . 6439 1 410 . 1 1 36 36 GLU HG3 H 1 2.174 0 . 2 . . . . . . . . 6439 1 411 . 1 1 36 36 GLU N N 15 116.744 0 . 1 . . . . . . . . 6439 1 412 . 1 1 37 37 GLU C C 13 176.29 0 . 1 . . . . . . . . 6439 1 413 . 1 1 37 37 GLU CA C 13 57.287 0 . 1 . . . . . . . . 6439 1 414 . 1 1 37 37 GLU CB C 13 31.02 0 . 1 . . . . . . . . 6439 1 415 . 1 1 37 37 GLU CG C 13 37.423 0 . 1 . . . . . . . . 6439 1 416 . 1 1 37 37 GLU H H 1 7.261 0 . 1 . . . . . . . . 6439 1 417 . 1 1 37 37 GLU HA H 1 3.877 0 . 1 . . . . . . . . 6439 1 418 . 1 1 37 37 GLU HB2 H 1 1.74 0 . 1 . . . . . . . . 6439 1 419 . 1 1 37 37 GLU HB3 H 1 1.742 0 . 1 . . . . . . . . 6439 1 420 . 1 1 37 37 GLU HG2 H 1 2.014 0 . 1 . . . . . . . . 6439 1 421 . 1 1 37 37 GLU HG3 H 1 2.014 0 . 1 . . . . . . . . 6439 1 422 . 1 1 37 37 GLU N N 15 117.956 0 . 1 . . . . . . . . 6439 1 423 . 1 1 38 38 ALA C C 13 178.113 0 . 1 . . . . . . . . 6439 1 424 . 1 1 38 38 ALA CA C 13 53.701 0 . 1 . . . . . . . . 6439 1 425 . 1 1 38 38 ALA CB C 13 17.358 0 . 1 . . . . . . . . 6439 1 426 . 1 1 38 38 ALA H H 1 7.757 0 . 1 . . . . . . . . 6439 1 427 . 1 1 38 38 ALA HA H 1 3.172 0 . 1 . . . . . . . . 6439 1 428 . 1 1 38 38 ALA HB1 H 1 -0.342 0 . 1 . . . . . . . . 6439 1 429 . 1 1 38 38 ALA HB2 H 1 -0.342 0 . 1 . . . . . . . . 6439 1 430 . 1 1 38 38 ALA HB3 H 1 -0.342 0 . 1 . . . . . . . . 6439 1 431 . 1 1 38 38 ALA N N 15 122.064 0 . 1 . . . . . . . . 6439 1 432 . 1 1 39 39 MET C C 13 177.837 0 . 1 . . . . . . . . 6439 1 433 . 1 1 39 39 MET CA C 13 56.157 0 . 1 . . . . . . . . 6439 1 434 . 1 1 39 39 MET CB C 13 30.862 0 . 1 . . . . . . . . 6439 1 435 . 1 1 39 39 MET CG C 13 32.696 0 . 1 . . . . . . . . 6439 1 436 . 1 1 39 39 MET H H 1 6.989 0 . 1 . . . . . . . . 6439 1 437 . 1 1 39 39 MET HA H 1 3.763 0 . 1 . . . . . . . . 6439 1 438 . 1 1 39 39 MET HB2 H 1 1.925 0 . 2 . . . . . . . . 6439 1 439 . 1 1 39 39 MET HB3 H 1 1.753 0 . 2 . . . . . . . . 6439 1 440 . 1 1 39 39 MET HG2 H 1 2.829 0 . 2 . . . . . . . . 6439 1 441 . 1 1 39 39 MET HG3 H 1 2.577 0 . 2 . . . . . . . . 6439 1 442 . 1 1 39 39 MET N N 15 112.934 0 . 1 . . . . . . . . 6439 1 443 . 1 1 40 40 GLY C C 13 174.619 0 . 1 . . . . . . . . 6439 1 444 . 1 1 40 40 GLY CA C 13 45.356 0 . 1 . . . . . . . . 6439 1 445 . 1 1 40 40 GLY H H 1 9.046 0 . 1 . . . . . . . . 6439 1 446 . 1 1 40 40 GLY HA2 H 1 3.508 0 . 2 . . . . . . . . 6439 1 447 . 1 1 40 40 GLY HA3 H 1 4.207 0 . 2 . . . . . . . . 6439 1 448 . 1 1 40 40 GLY N N 15 112.241 0 . 1 . . . . . . . . 6439 1 449 . 1 1 41 41 LYS C C 13 176.211 0 . 1 . . . . . . . . 6439 1 450 . 1 1 41 41 LYS CA C 13 55.616 0 . 1 . . . . . . . . 6439 1 451 . 1 1 41 41 LYS CB C 13 32.387 0 . 1 . . . . . . . . 6439 1 452 . 1 1 41 41 LYS CD C 13 28.405 0 . 1 . . . . . . . . 6439 1 453 . 1 1 41 41 LYS CG C 13 25.654 0 . 1 . . . . . . . . 6439 1 454 . 1 1 41 41 LYS H H 1 7.845 0 . 1 . . . . . . . . 6439 1 455 . 1 1 41 41 LYS HA H 1 4.024 0 . 1 . . . . . . . . 6439 1 456 . 1 1 41 41 LYS HB2 H 1 1.377 0 . 2 . . . . . . . . 6439 1 457 . 1 1 41 41 LYS HB3 H 1 1.813 0 . 2 . . . . . . . . 6439 1 458 . 1 1 41 41 LYS HD2 H 1 1.373 0 . 2 . . . . . . . . 6439 1 459 . 1 1 41 41 LYS HD3 H 1 1.381 0 . 2 . . . . . . . . 6439 1 460 . 1 1 41 41 LYS HE2 H 1 2.759 0 . 1 . . . . . . . . 6439 1 461 . 1 1 41 41 LYS HE3 H 1 2.759 0 . 1 . . . . . . . . 6439 1 462 . 1 1 41 41 LYS HG2 H 1 1.173 0 . 1 . . . . . . . . 6439 1 463 . 1 1 41 41 LYS HG3 H 1 1.174 0 . 1 . . . . . . . . 6439 1 464 . 1 1 41 41 LYS N N 15 120.484 0 . 1 . . . . . . . . 6439 1 465 . 1 1 42 42 SER C C 13 176.825 0 . 1 . . . . . . . . 6439 1 466 . 1 1 42 42 SER CA C 13 56.886 0 . 1 . . . . . . . . 6439 1 467 . 1 1 42 42 SER CB C 13 62.949 0 . 1 . . . . . . . . 6439 1 468 . 1 1 42 42 SER H H 1 9.193 0 . 1 . . . . . . . . 6439 1 469 . 1 1 42 42 SER HA H 1 4.692 0 . 1 . . . . . . . . 6439 1 470 . 1 1 42 42 SER HB2 H 1 3.776 0 . 2 . . . . . . . . 6439 1 471 . 1 1 42 42 SER HB3 H 1 3.74 0 . 2 . . . . . . . . 6439 1 472 . 1 1 42 42 SER N N 15 115.541 0 . 1 . . . . . . . . 6439 1 473 . 1 1 43 43 LEU C C 13 176.728 0 . 1 . . . . . . . . 6439 1 474 . 1 1 43 43 LEU CB C 13 42.387 0 . 1 . . . . . . . . 6439 1 475 . 1 1 43 43 LEU HB2 H 1 1.344 0 . 2 . . . . . . . . 6439 1 476 . 1 1 43 43 LEU HB3 H 1 2.054 0 . 2 . . . . . . . . 6439 1 477 . 1 1 43 43 LEU CA C 13 59.175 0 . 1 . . . . . . . . 6439 1 478 . 1 1 43 43 LEU CD1 C 13 23.521 0 . 2 . . . . . . . . 6439 1 479 . 1 1 43 43 LEU CD2 C 13 23.511 0 . 2 . . . . . . . . 6439 1 480 . 1 1 43 43 LEU CG C 13 28.018 0 . 1 . . . . . . . . 6439 1 481 . 1 1 43 43 LEU H H 1 8.28 0 . 1 . . . . . . . . 6439 1 482 . 1 1 43 43 LEU HA H 1 3.922 0 . 1 . . . . . . . . 6439 1 483 . 1 1 43 43 LEU HG H 1 0.721 0 . 1 . . . . . . . . 6439 1 484 . 1 1 43 43 LEU HD11 H 1 0.701 0 . 1 . . . . . . . . 6439 1 485 . 1 1 43 43 LEU HD12 H 1 0.701 0 . 1 . . . . . . . . 6439 1 486 . 1 1 43 43 LEU HD13 H 1 0.701 0 . 1 . . . . . . . . 6439 1 487 . 1 1 43 43 LEU HD21 H 1 0.701 0 . 1 . . . . . . . . 6439 1 488 . 1 1 43 43 LEU HD22 H 1 0.701 0 . 1 . . . . . . . . 6439 1 489 . 1 1 43 43 LEU HD23 H 1 0.701 0 . 1 . . . . . . . . 6439 1 490 . 1 1 43 43 LEU N N 15 107.427 0 . 1 . . . . . . . . 6439 1 491 . 1 1 44 44 VAL C C 13 176.955 0 . 1 . . . . . . . . 6439 1 492 . 1 1 44 44 VAL CA C 13 65.338 0 . 1 . . . . . . . . 6439 1 493 . 1 1 44 44 VAL CB C 13 32.143 0 . 1 . . . . . . . . 6439 1 494 . 1 1 44 44 VAL H H 1 8.927 0 . 1 . . . . . . . . 6439 1 495 . 1 1 44 44 VAL N N 15 114.985 0 . 1 . . . . . . . . 6439 1 496 . 1 1 44 44 VAL CG1 C 13 21.561 0 . 2 . . . . . . . . 6439 1 497 . 1 1 44 44 VAL CG2 C 13 23.117 0 . 2 . . . . . . . . 6439 1 498 . 1 1 44 44 VAL HA H 1 3.513 0 . 1 . . . . . . . . 6439 1 499 . 1 1 44 44 VAL HB H 1 1.756 0 . 1 . . . . . . . . 6439 1 500 . 1 1 44 44 VAL HG11 H 1 0.847 0 . 2 . . . . . . . . 6439 1 501 . 1 1 44 44 VAL HG12 H 1 0.847 0 . 2 . . . . . . . . 6439 1 502 . 1 1 44 44 VAL HG13 H 1 0.847 0 . 2 . . . . . . . . 6439 1 503 . 1 1 44 44 VAL HG21 H 1 0.889 0 . 2 . . . . . . . . 6439 1 504 . 1 1 44 44 VAL HG22 H 1 0.889 0 . 2 . . . . . . . . 6439 1 505 . 1 1 44 44 VAL HG23 H 1 0.889 0 . 2 . . . . . . . . 6439 1 506 . 1 1 45 45 ASN C C 13 176.314 0 . 1 . . . . . . . . 6439 1 507 . 1 1 45 45 ASN CA C 13 55.47 0 . 1 . . . . . . . . 6439 1 508 . 1 1 45 45 ASN CB C 13 38.713 0 . 1 . . . . . . . . 6439 1 509 . 1 1 45 45 ASN H H 1 7.923 0 . 1 . . . . . . . . 6439 1 510 . 1 1 45 45 ASN HA H 1 4.572 0 . 1 . . . . . . . . 6439 1 511 . 1 1 45 45 ASN HB2 H 1 2.74 0 . 2 . . . . . . . . 6439 1 512 . 1 1 45 45 ASN HB3 H 1 2.472 0 . 2 . . . . . . . . 6439 1 513 . 1 1 45 45 ASN N N 15 113.902 0 . 1 . . . . . . . . 6439 1 514 . 1 1 46 46 ASP C C 13 177.489 0 . 1 . . . . . . . . 6439 1 515 . 1 1 46 46 ASP CA C 13 56.149 0 . 1 . . . . . . . . 6439 1 516 . 1 1 46 46 ASP CB C 13 43.909 0 . 1 . . . . . . . . 6439 1 517 . 1 1 46 46 ASP H H 1 8.245 0 . 1 . . . . . . . . 6439 1 518 . 1 1 46 46 ASP HA H 1 5.075 0 . 1 . . . . . . . . 6439 1 519 . 1 1 46 46 ASP HB2 H 1 2.489 0 . 2 . . . . . . . . 6439 1 520 . 1 1 46 46 ASP HB3 H 1 2.931 0 . 2 . . . . . . . . 6439 1 521 . 1 1 46 46 ASP N N 15 114.5 0 . 1 . . . . . . . . 6439 1 522 . 1 1 47 47 LEU C C 13 176.594 0 . 1 . . . . . . . . 6439 1 523 . 1 1 47 47 LEU CA C 13 56.501 0 . 1 . . . . . . . . 6439 1 524 . 1 1 47 47 LEU CB C 13 43.816 0 . 1 . . . . . . . . 6439 1 525 . 1 1 47 47 LEU CD1 C 13 23.058 0 . 2 . . . . . . . . 6439 1 526 . 1 1 47 47 LEU CD2 C 13 22.974 0 . 2 . . . . . . . . 6439 1 527 . 1 1 47 47 LEU CG C 13 26.316 0 . 1 . . . . . . . . 6439 1 528 . 1 1 47 47 LEU H H 1 7.041 0 . 1 . . . . . . . . 6439 1 529 . 1 1 47 47 LEU HA H 1 4.796 0 . 1 . . . . . . . . 6439 1 530 . 1 1 47 47 LEU HB2 H 1 1.638 0 . 2 . . . . . . . . 6439 1 531 . 1 1 47 47 LEU HB3 H 1 2.121 0 . 2 . . . . . . . . 6439 1 532 . 1 1 47 47 LEU HG H 1 0.531 0 . 1 . . . . . . . . 6439 1 533 . 1 1 47 47 LEU HD11 H 1 0.488 0 . 1 . . . . . . . . 6439 1 534 . 1 1 47 47 LEU HD12 H 1 0.488 0 . 1 . . . . . . . . 6439 1 535 . 1 1 47 47 LEU HD13 H 1 0.488 0 . 1 . . . . . . . . 6439 1 536 . 1 1 47 47 LEU HD21 H 1 0.482 0 . 1 . . . . . . . . 6439 1 537 . 1 1 47 47 LEU HD22 H 1 0.482 0 . 1 . . . . . . . . 6439 1 538 . 1 1 47 47 LEU HD23 H 1 0.482 0 . 1 . . . . . . . . 6439 1 539 . 1 1 47 47 LEU N N 15 115.924 0 . 1 . . . . . . . . 6439 1 540 . 1 1 48 48 ILE C C 13 176.424 0 . 1 . . . . . . . . 6439 1 541 . 1 1 48 48 ILE CA C 13 59.112 0 . 1 . . . . . . . . 6439 1 542 . 1 1 48 48 ILE CB C 13 40.018 0 . 1 . . . . . . . . 6439 1 543 . 1 1 48 48 ILE H H 1 7.282 0 . 1 . . . . . . . . 6439 1 544 . 1 1 48 48 ILE N N 15 112.129 0 . 1 . . . . . . . . 6439 1 545 . 1 1 48 48 ILE CD1 C 13 14.446 0 . 1 . . . . . . . . 6439 1 546 . 1 1 48 48 ILE CG2 C 13 17.295 0 . 1 . . . . . . . . 6439 1 547 . 1 1 48 48 ILE HA H 1 5.008 0 . 1 . . . . . . . . 6439 1 548 . 1 1 48 48 ILE HB H 1 2.152 0 . 1 . . . . . . . . 6439 1 549 . 1 1 48 48 ILE HD11 H 1 0.801 0 . 1 . . . . . . . . 6439 1 550 . 1 1 48 48 ILE HD12 H 1 0.801 0 . 1 . . . . . . . . 6439 1 551 . 1 1 48 48 ILE HD13 H 1 0.801 0 . 1 . . . . . . . . 6439 1 552 . 1 1 48 48 ILE HG21 H 1 0.801 0 . 1 . . . . . . . . 6439 1 553 . 1 1 48 48 ILE HG22 H 1 0.801 0 . 1 . . . . . . . . 6439 1 554 . 1 1 48 48 ILE HG23 H 1 0.801 0 . 1 . . . . . . . . 6439 1 555 . 1 1 49 49 PHE C C 13 177.691 0 . 1 . . . . . . . . 6439 1 556 . 1 1 49 49 PHE CB C 13 39.954 0 . 1 . . . . . . . . 6439 1 557 . 1 1 49 49 PHE H H 1 8.367 0 . 1 . . . . . . . . 6439 1 558 . 1 1 49 49 PHE N N 15 123.278 0 . 1 . . . . . . . . 6439 1 559 . 1 1 49 49 PHE CA C 13 58.564 0 . 1 . . . . . . . . 6439 1 560 . 1 1 49 49 PHE HA H 1 4.441 0 . 1 . . . . . . . . 6439 1 561 . 1 1 49 49 PHE HB2 H 1 2.632 0 . 2 . . . . . . . . 6439 1 562 . 1 1 49 49 PHE HB3 H 1 3.153 0 . 2 . . . . . . . . 6439 1 563 . 1 1 49 49 PHE HD1 H 1 7.194 0 . 1 . . . . . . . . 6439 1 564 . 1 1 49 49 PHE HE1 H 1 7.388 0 . 1 . . . . . . . . 6439 1 565 . 1 1 50 50 LYS C C 13 178.508 0 . 1 . . . . . . . . 6439 1 566 . 1 1 50 50 LYS CA C 13 58.947 0 . 1 . . . . . . . . 6439 1 567 . 1 1 50 50 LYS CB C 13 32.136 0 . 1 . . . . . . . . 6439 1 568 . 1 1 50 50 LYS CD C 13 28.59 0 . 1 . . . . . . . . 6439 1 569 . 1 1 50 50 LYS CG C 13 24.35 0 . 1 . . . . . . . . 6439 1 570 . 1 1 50 50 LYS H H 1 8.476 0 . 1 . . . . . . . . 6439 1 571 . 1 1 50 50 LYS HA H 1 4.005 0 . 1 . . . . . . . . 6439 1 572 . 1 1 50 50 LYS HB2 H 1 1.71 0 . 1 . . . . . . . . 6439 1 573 . 1 1 50 50 LYS HB3 H 1 1.707 0 . 1 . . . . . . . . 6439 1 574 . 1 1 50 50 LYS HD2 H 1 1.673 0 . 1 . . . . . . . . 6439 1 575 . 1 1 50 50 LYS HD3 H 1 1.673 0 . 1 . . . . . . . . 6439 1 576 . 1 1 50 50 LYS HG2 H 1 1.405 0 . 1 . . . . . . . . 6439 1 577 . 1 1 50 50 LYS HG3 H 1 1.406 0 . 1 . . . . . . . . 6439 1 578 . 1 1 50 50 LYS N N 15 125.351 0 . 1 . . . . . . . . 6439 1 579 . 1 1 51 51 GLU C C 13 177.932 0 . 1 . . . . . . . . 6439 1 580 . 1 1 51 51 GLU CA C 13 59.266 0 . 1 . . . . . . . . 6439 1 581 . 1 1 51 51 GLU CB C 13 29.752 0 . 1 . . . . . . . . 6439 1 582 . 1 1 51 51 GLU CG C 13 36.916 0 . 1 . . . . . . . . 6439 1 583 . 1 1 51 51 GLU H H 1 8.456 0 . 1 . . . . . . . . 6439 1 584 . 1 1 51 51 GLU HA H 1 4.234 0 . 1 . . . . . . . . 6439 1 585 . 1 1 51 51 GLU HB2 H 1 2.104 0 . 1 . . . . . . . . 6439 1 586 . 1 1 51 51 GLU HB3 H 1 2.104 0 . 1 . . . . . . . . 6439 1 587 . 1 1 51 51 GLU HG2 H 1 2.297 0 . 1 . . . . . . . . 6439 1 588 . 1 1 51 51 GLU HG3 H 1 2.297 0 . 1 . . . . . . . . 6439 1 589 . 1 1 51 51 GLU N N 15 117.61 0 . 1 . . . . . . . . 6439 1 590 . 1 1 52 52 SER C C 13 173.555 0 . 1 . . . . . . . . 6439 1 591 . 1 1 52 52 SER CA C 13 59.609 0 . 1 . . . . . . . . 6439 1 592 . 1 1 52 52 SER CB C 13 64.876 0 . 1 . . . . . . . . 6439 1 593 . 1 1 52 52 SER H H 1 8.35 0 . 1 . . . . . . . . 6439 1 594 . 1 1 52 52 SER HA H 1 4.825 0 . 1 . . . . . . . . 6439 1 595 . 1 1 52 52 SER HB2 H 1 4.32 0 . 2 . . . . . . . . 6439 1 596 . 1 1 52 52 SER HB3 H 1 4.018 0 . 2 . . . . . . . . 6439 1 597 . 1 1 52 52 SER N N 15 114.991 0 . 1 . . . . . . . . 6439 1 598 . 1 1 53 53 GLU C C 13 176.957 0 . 1 . . . . . . . . 6439 1 599 . 1 1 53 53 GLU CA C 13 61.461 0 . 1 . . . . . . . . 6439 1 600 . 1 1 53 53 GLU CB C 13 29.921 0 . 1 . . . . . . . . 6439 1 601 . 1 1 53 53 GLU CG C 13 36.825 0 . 1 . . . . . . . . 6439 1 602 . 1 1 53 53 GLU H H 1 8.027 0 . 1 . . . . . . . . 6439 1 603 . 1 1 53 53 GLU HA H 1 3.613 0 . 1 . . . . . . . . 6439 1 604 . 1 1 53 53 GLU HB2 H 1 2.165 0 . 1 . . . . . . . . 6439 1 605 . 1 1 53 53 GLU HB3 H 1 2.164 0 . 1 . . . . . . . . 6439 1 606 . 1 1 53 53 GLU HG2 H 1 2.14 0 . 1 . . . . . . . . 6439 1 607 . 1 1 53 53 GLU HG3 H 1 2.139 0 . 1 . . . . . . . . 6439 1 608 . 1 1 53 53 GLU N N 15 124.257 0 . 1 . . . . . . . . 6439 1 609 . 1 1 54 54 GLU C C 13 179.441 0 . 1 . . . . . . . . 6439 1 610 . 1 1 54 54 GLU CA C 13 60.052 0 . 1 . . . . . . . . 6439 1 611 . 1 1 54 54 GLU CB C 13 28.967 0 . 1 . . . . . . . . 6439 1 612 . 1 1 54 54 GLU CG C 13 36.35 0 . 1 . . . . . . . . 6439 1 613 . 1 1 54 54 GLU H H 1 8.677 0 . 1 . . . . . . . . 6439 1 614 . 1 1 54 54 GLU HA H 1 4.11 0 . 1 . . . . . . . . 6439 1 615 . 1 1 54 54 GLU HB2 H 1 2.072 0 . 1 . . . . . . . . 6439 1 616 . 1 1 54 54 GLU HB3 H 1 2.073 0 . 1 . . . . . . . . 6439 1 617 . 1 1 54 54 GLU HG2 H 1 2.328 0 . 1 . . . . . . . . 6439 1 618 . 1 1 54 54 GLU HG3 H 1 2.234 0 . 1 . . . . . . . . 6439 1 619 . 1 1 54 54 GLU N N 15 119.778 0 . 1 . . . . . . . . 6439 1 620 . 1 1 55 55 THR C C 13 176.719 0 . 1 . . . . . . . . 6439 1 621 . 1 1 55 55 THR CA C 13 66.814 0 . 1 . . . . . . . . 6439 1 622 . 1 1 55 55 THR CB C 13 69.015 0 . 1 . . . . . . . . 6439 1 623 . 1 1 55 55 THR CG2 C 13 21.863 0 . 1 . . . . . . . . 6439 1 624 . 1 1 55 55 THR H H 1 8.197 0 . 1 . . . . . . . . 6439 1 625 . 1 1 55 55 THR HA H 1 3.846 0 . 1 . . . . . . . . 6439 1 626 . 1 1 55 55 THR HB H 1 4.265 0 . 1 . . . . . . . . 6439 1 627 . 1 1 55 55 THR HG21 H 1 1.196 0 . 1 . . . . . . . . 6439 1 628 . 1 1 55 55 THR HG22 H 1 1.196 0 . 1 . . . . . . . . 6439 1 629 . 1 1 55 55 THR HG23 H 1 1.196 0 . 1 . . . . . . . . 6439 1 630 . 1 1 55 55 THR N N 15 117.331 0 . 1 . . . . . . . . 6439 1 631 . 1 1 56 56 VAL C C 13 176.69 0 . 1 . . . . . . . . 6439 1 632 . 1 1 56 56 VAL CA C 13 67.178 0 . 1 . . . . . . . . 6439 1 633 . 1 1 56 56 VAL CB C 13 31.002 0 . 1 . . . . . . . . 6439 1 634 . 1 1 56 56 VAL CG1 C 13 22.78 0 . 2 . . . . . . . . 6439 1 635 . 1 1 56 56 VAL CG2 C 13 25.38 0 . 2 . . . . . . . . 6439 1 636 . 1 1 56 56 VAL H H 1 8.561 0 . 1 . . . . . . . . 6439 1 637 . 1 1 56 56 VAL HA H 1 3.567 0 . 1 . . . . . . . . 6439 1 638 . 1 1 56 56 VAL HB H 1 1.922 0 . 1 . . . . . . . . 6439 1 639 . 1 1 56 56 VAL HG11 H 1 0.809 0 . 2 . . . . . . . . 6439 1 640 . 1 1 56 56 VAL HG12 H 1 0.809 0 . 2 . . . . . . . . 6439 1 641 . 1 1 56 56 VAL HG13 H 1 0.809 0 . 2 . . . . . . . . 6439 1 642 . 1 1 56 56 VAL HG21 H 1 0.992 0 . 2 . . . . . . . . 6439 1 643 . 1 1 56 56 VAL HG22 H 1 0.992 0 . 2 . . . . . . . . 6439 1 644 . 1 1 56 56 VAL HG23 H 1 0.992 0 . 2 . . . . . . . . 6439 1 645 . 1 1 56 56 VAL N N 15 122.09 0 . 1 . . . . . . . . 6439 1 646 . 1 1 57 57 ASN C C 13 178.981 0 . 1 . . . . . . . . 6439 1 647 . 1 1 57 57 ASN CA C 13 56.556 0 . 1 . . . . . . . . 6439 1 648 . 1 1 57 57 ASN CB C 13 37.917 0 . 1 . . . . . . . . 6439 1 649 . 1 1 57 57 ASN H H 1 8.831 0 . 1 . . . . . . . . 6439 1 650 . 1 1 57 57 ASN HA H 1 4.512 0 . 1 . . . . . . . . 6439 1 651 . 1 1 57 57 ASN HB2 H 1 2.724 0 . 2 . . . . . . . . 6439 1 652 . 1 1 57 57 ASN HB3 H 1 2.894 0 . 2 . . . . . . . . 6439 1 653 . 1 1 57 57 ASN N N 15 120.442 0 . 1 . . . . . . . . 6439 1 654 . 1 1 58 58 LYS C C 13 177.971 0 . 1 . . . . . . . . 6439 1 655 . 1 1 58 58 LYS CA C 13 59.843 0 . 1 . . . . . . . . 6439 1 656 . 1 1 58 58 LYS CB C 13 32.215 0 . 1 . . . . . . . . 6439 1 657 . 1 1 58 58 LYS CG C 13 25.285 0 . 1 . . . . . . . . 6439 1 658 . 1 1 58 58 LYS H H 1 7.868 0 . 1 . . . . . . . . 6439 1 659 . 1 1 58 58 LYS HA H 1 4.055 0 . 1 . . . . . . . . 6439 1 660 . 1 1 58 58 LYS HB2 H 1 1.913 0 . 1 . . . . . . . . 6439 1 661 . 1 1 58 58 LYS HB3 H 1 1.914 0 . 1 . . . . . . . . 6439 1 662 . 1 1 58 58 LYS HG2 H 1 1.411 0 . 1 . . . . . . . . 6439 1 663 . 1 1 58 58 LYS HG3 H 1 1.41 0 . 1 . . . . . . . . 6439 1 664 . 1 1 58 58 LYS N N 15 121.398 0 . 1 . . . . . . . . 6439 1 665 . 1 1 59 59 LEU C C 13 179.231 0 . 1 . . . . . . . . 6439 1 666 . 1 1 59 59 LEU CA C 13 58.319 0 . 1 . . . . . . . . 6439 1 667 . 1 1 59 59 LEU CB C 13 43.338 0 . 1 . . . . . . . . 6439 1 668 . 1 1 59 59 LEU CD1 C 13 25.506 0 . 2 . . . . . . . . 6439 1 669 . 1 1 59 59 LEU CD2 C 13 25.464 0 . 2 . . . . . . . . 6439 1 670 . 1 1 59 59 LEU CG C 13 25.5 0 . 1 . . . . . . . . 6439 1 671 . 1 1 59 59 LEU H H 1 8.014 0 . 1 . . . . . . . . 6439 1 672 . 1 1 59 59 LEU HA H 1 4.095 0 . 1 . . . . . . . . 6439 1 673 . 1 1 59 59 LEU HB2 H 1 1.778 0 . 2 . . . . . . . . 6439 1 674 . 1 1 59 59 LEU HB3 H 1 1.989 0 . 2 . . . . . . . . 6439 1 675 . 1 1 59 59 LEU HG H 1 1.838 0 . 1 . . . . . . . . 6439 1 676 . 1 1 59 59 LEU HD11 H 1 0.918 0 . 2 . . . . . . . . 6439 1 677 . 1 1 59 59 LEU HD12 H 1 0.918 0 . 2 . . . . . . . . 6439 1 678 . 1 1 59 59 LEU HD13 H 1 0.918 0 . 2 . . . . . . . . 6439 1 679 . 1 1 59 59 LEU HD21 H 1 0.889 0 . 2 . . . . . . . . 6439 1 680 . 1 1 59 59 LEU HD22 H 1 0.889 0 . 2 . . . . . . . . 6439 1 681 . 1 1 59 59 LEU HD23 H 1 0.889 0 . 2 . . . . . . . . 6439 1 682 . 1 1 59 59 LEU N N 15 120.944 0 . 1 . . . . . . . . 6439 1 683 . 1 1 60 60 LEU C C 13 177.702 0 . 1 . . . . . . . . 6439 1 684 . 1 1 60 60 LEU CA C 13 58.552 0 . 1 . . . . . . . . 6439 1 685 . 1 1 60 60 LEU CB C 13 42.333 0 . 1 . . . . . . . . 6439 1 686 . 1 1 60 60 LEU CD1 C 13 25.481 0 . 1 . . . . . . . . 6439 1 687 . 1 1 60 60 LEU CD2 C 13 25.482 0 . 1 . . . . . . . . 6439 1 688 . 1 1 60 60 LEU H H 1 8.804 0 . 1 . . . . . . . . 6439 1 689 . 1 1 60 60 LEU HA H 1 3.928 0 . 1 . . . . . . . . 6439 1 690 . 1 1 60 60 LEU HB2 H 1 1.854 0 . 2 . . . . . . . . 6439 1 691 . 1 1 60 60 LEU HB3 H 1 1.69 0 . 2 . . . . . . . . 6439 1 692 . 1 1 60 60 LEU HG H 1 1.885 0 . 1 . . . . . . . . 6439 1 693 . 1 1 60 60 LEU HD11 H 1 0.994 0 . 1 . . . . . . . . 6439 1 694 . 1 1 60 60 LEU HD12 H 1 0.994 0 . 1 . . . . . . . . 6439 1 695 . 1 1 60 60 LEU HD13 H 1 0.994 0 . 1 . . . . . . . . 6439 1 696 . 1 1 60 60 LEU HD21 H 1 0.994 0 . 1 . . . . . . . . 6439 1 697 . 1 1 60 60 LEU HD22 H 1 0.994 0 . 1 . . . . . . . . 6439 1 698 . 1 1 60 60 LEU HD23 H 1 0.994 0 . 1 . . . . . . . . 6439 1 699 . 1 1 60 60 LEU N N 15 118.97 0 . 1 . . . . . . . . 6439 1 700 . 1 1 61 61 SER C C 13 177.491 0 . 1 . . . . . . . . 6439 1 701 . 1 1 61 61 SER CA C 13 61.729 0 . 1 . . . . . . . . 6439 1 702 . 1 1 61 61 SER CB C 13 62.802 0 . 1 . . . . . . . . 6439 1 703 . 1 1 61 61 SER H H 1 7.835 0 . 1 . . . . . . . . 6439 1 704 . 1 1 61 61 SER HA H 1 3.979 0 . 1 . . . . . . . . 6439 1 705 . 1 1 61 61 SER N N 15 112.869 0 . 1 . . . . . . . . 6439 1 706 . 1 1 62 62 ARG C C 13 179.096 0 . 1 . . . . . . . . 6439 1 707 . 1 1 62 62 ARG CA C 13 59.805 0 . 1 . . . . . . . . 6439 1 708 . 1 1 62 62 ARG CB C 13 29.581 0 . 1 . . . . . . . . 6439 1 709 . 1 1 62 62 ARG CG C 13 28.358 0 . 1 . . . . . . . . 6439 1 710 . 1 1 62 62 ARG H H 1 7.953 0 . 1 . . . . . . . . 6439 1 711 . 1 1 62 62 ARG HA H 1 3.994 0 . 1 . . . . . . . . 6439 1 712 . 1 1 62 62 ARG HB2 H 1 2.098 0 . 1 . . . . . . . . 6439 1 713 . 1 1 62 62 ARG HB3 H 1 2.098 0 . 1 . . . . . . . . 6439 1 714 . 1 1 62 62 ARG HG2 H 1 1.764 0 . 1 . . . . . . . . 6439 1 715 . 1 1 62 62 ARG HG3 H 1 1.764 0 . 1 . . . . . . . . 6439 1 716 . 1 1 62 62 ARG N N 15 120.73 0 . 1 . . . . . . . . 6439 1 717 . 1 1 63 63 ALA C C 13 182.309 0 . 1 . . . . . . . . 6439 1 718 . 1 1 63 63 ALA CA C 13 55.334 0 . 1 . . . . . . . . 6439 1 719 . 1 1 63 63 ALA CB C 13 18.755 0 . 1 . . . . . . . . 6439 1 720 . 1 1 63 63 ALA H H 1 8.607 0 . 1 . . . . . . . . 6439 1 721 . 1 1 63 63 ALA HA H 1 3.99 0 . 1 . . . . . . . . 6439 1 722 . 1 1 63 63 ALA HB1 H 1 1.278 0 . 1 . . . . . . . . 6439 1 723 . 1 1 63 63 ALA HB2 H 1 1.278 0 . 1 . . . . . . . . 6439 1 724 . 1 1 63 63 ALA HB3 H 1 1.278 0 . 1 . . . . . . . . 6439 1 725 . 1 1 63 63 ALA N N 15 124.331 0 . 1 . . . . . . . . 6439 1 726 . 1 1 64 64 LEU C C 13 176.902 0 . 1 . . . . . . . . 6439 1 727 . 1 1 64 64 LEU CA C 13 57.054 0 . 1 . . . . . . . . 6439 1 728 . 1 1 64 64 LEU CB C 13 41.097 0 . 1 . . . . . . . . 6439 1 729 . 1 1 64 64 LEU CD1 C 13 23.324 0 . 2 . . . . . . . . 6439 1 730 . 1 1 64 64 LEU CD2 C 13 25.65 0 . 2 . . . . . . . . 6439 1 731 . 1 1 64 64 LEU CG C 13 26.926 0 . 1 . . . . . . . . 6439 1 732 . 1 1 64 64 LEU H H 1 8.325 0 . 1 . . . . . . . . 6439 1 733 . 1 1 64 64 LEU HA H 1 4.082 0 . 1 . . . . . . . . 6439 1 734 . 1 1 64 64 LEU HB2 H 1 1.889 0 . 2 . . . . . . . . 6439 1 735 . 1 1 64 64 LEU HB3 H 1 1.452 0 . 2 . . . . . . . . 6439 1 736 . 1 1 64 64 LEU HG H 1 1.716 0 . 1 . . . . . . . . 6439 1 737 . 1 1 64 64 LEU HD11 H 1 0.647 0 . 2 . . . . . . . . 6439 1 738 . 1 1 64 64 LEU HD12 H 1 0.647 0 . 2 . . . . . . . . 6439 1 739 . 1 1 64 64 LEU HD13 H 1 0.647 0 . 2 . . . . . . . . 6439 1 740 . 1 1 64 64 LEU HD21 H 1 0.833 0 . 2 . . . . . . . . 6439 1 741 . 1 1 64 64 LEU HD22 H 1 0.833 0 . 2 . . . . . . . . 6439 1 742 . 1 1 64 64 LEU HD23 H 1 0.833 0 . 2 . . . . . . . . 6439 1 743 . 1 1 64 64 LEU N N 15 119.817 0 . 1 . . . . . . . . 6439 1 744 . 1 1 65 65 ARG C C 13 176.913 0 . 1 . . . . . . . . 6439 1 745 . 1 1 65 65 ARG CA C 13 55.336 0 . 1 . . . . . . . . 6439 1 746 . 1 1 65 65 ARG CB C 13 30.884 0 . 1 . . . . . . . . 6439 1 747 . 1 1 65 65 ARG CD C 13 43.725 0 . 1 . . . . . . . . 6439 1 748 . 1 1 65 65 ARG CG C 13 27.224 0 . 1 . . . . . . . . 6439 1 749 . 1 1 65 65 ARG H H 1 7.355 0 . 1 . . . . . . . . 6439 1 750 . 1 1 65 65 ARG HA H 1 4.529 0 . 1 . . . . . . . . 6439 1 751 . 1 1 65 65 ARG HB2 H 1 1.927 0 . 1 . . . . . . . . 6439 1 752 . 1 1 65 65 ARG HB3 H 1 1.929 0 . 1 . . . . . . . . 6439 1 753 . 1 1 65 65 ARG HD2 H 1 3.173 0 . 1 . . . . . . . . 6439 1 754 . 1 1 65 65 ARG HD3 H 1 3.17 0 . 1 . . . . . . . . 6439 1 755 . 1 1 65 65 ARG HG2 H 1 1.865 0 . 1 . . . . . . . . 6439 1 756 . 1 1 65 65 ARG HG3 H 1 1.659 0 . 1 . . . . . . . . 6439 1 757 . 1 1 65 65 ARG N N 15 115.857 0 . 1 . . . . . . . . 6439 1 758 . 1 1 66 66 GLY C C 13 173.185 0 . 1 . . . . . . . . 6439 1 759 . 1 1 66 66 GLY CA C 13 45.169 0 . 1 . . . . . . . . 6439 1 760 . 1 1 66 66 GLY H H 1 7.526 0 . 1 . . . . . . . . 6439 1 761 . 1 1 66 66 GLY HA2 H 1 3.725 0 . 2 . . . . . . . . 6439 1 762 . 1 1 66 66 GLY HA3 H 1 4.183 0 . 2 . . . . . . . . 6439 1 763 . 1 1 66 66 GLY N N 15 109.016 0 . 1 . . . . . . . . 6439 1 764 . 1 1 67 67 ASP C C 13 174.256 0 . 1 . . . . . . . . 6439 1 765 . 1 1 67 67 ASP CA C 13 54.025 0 . 1 . . . . . . . . 6439 1 766 . 1 1 67 67 ASP CB C 13 41.454 0 . 1 . . . . . . . . 6439 1 767 . 1 1 67 67 ASP H H 1 7.936 0 . 1 . . . . . . . . 6439 1 768 . 1 1 67 67 ASP HA H 1 4.736 0 . 1 . . . . . . . . 6439 1 769 . 1 1 67 67 ASP HB2 H 1 2.335 0 . 2 . . . . . . . . 6439 1 770 . 1 1 67 67 ASP HB3 H 1 2.413 0 . 2 . . . . . . . . 6439 1 771 . 1 1 67 67 ASP N N 15 124.137 0 . 1 . . . . . . . . 6439 1 772 . 1 1 68 68 GLU C C 13 175.249 0 . 1 . . . . . . . . 6439 1 773 . 1 1 68 68 GLU CA C 13 56.073 0 . 1 . . . . . . . . 6439 1 774 . 1 1 68 68 GLU CB C 13 30.846 0 . 1 . . . . . . . . 6439 1 775 . 1 1 68 68 GLU CG C 13 37.013 0 . 1 . . . . . . . . 6439 1 776 . 1 1 68 68 GLU H H 1 8.146 0 . 1 . . . . . . . . 6439 1 777 . 1 1 68 68 GLU HA H 1 4.095 0 . 1 . . . . . . . . 6439 1 778 . 1 1 68 68 GLU HB2 H 1 2.153 0 . 1 . . . . . . . . 6439 1 779 . 1 1 68 68 GLU HB3 H 1 2.154 0 . 1 . . . . . . . . 6439 1 780 . 1 1 68 68 GLU HG2 H 1 2.151 0 . 1 . . . . . . . . 6439 1 781 . 1 1 68 68 GLU HG3 H 1 2.147 0 . 1 . . . . . . . . 6439 1 782 . 1 1 68 68 GLU N N 15 123.217 0 . 1 . . . . . . . . 6439 1 783 . 1 1 69 69 ASP C C 13 174.993 0 . 1 . . . . . . . . 6439 1 784 . 1 1 69 69 ASP CA C 13 54.249 0 . 1 . . . . . . . . 6439 1 785 . 1 1 69 69 ASP CB C 13 43.378 0 . 1 . . . . . . . . 6439 1 786 . 1 1 69 69 ASP H H 1 8.217 0 . 1 . . . . . . . . 6439 1 787 . 1 1 69 69 ASP HA H 1 4.793 0 . 1 . . . . . . . . 6439 1 788 . 1 1 69 69 ASP HB2 H 1 2.409 0 . 1 . . . . . . . . 6439 1 789 . 1 1 69 69 ASP HB3 H 1 2.41 0 . 1 . . . . . . . . 6439 1 790 . 1 1 69 69 ASP N N 15 124.782 0 . 1 . . . . . . . . 6439 1 791 . 1 1 70 70 LYS C C 13 175.479 0 . 1 . . . . . . . . 6439 1 792 . 1 1 70 70 LYS CA C 13 54.454 0 . 1 . . . . . . . . 6439 1 793 . 1 1 70 70 LYS CB C 13 35.958 0 . 1 . . . . . . . . 6439 1 794 . 1 1 70 70 LYS CD C 13 29.177 0 . 1 . . . . . . . . 6439 1 795 . 1 1 70 70 LYS CG C 13 25.072 0 . 1 . . . . . . . . 6439 1 796 . 1 1 70 70 LYS H H 1 8.374 0 . 1 . . . . . . . . 6439 1 797 . 1 1 70 70 LYS HA H 1 4.691 0 . 1 . . . . . . . . 6439 1 798 . 1 1 70 70 LYS HB2 H 1 1.656 0 . 1 . . . . . . . . 6439 1 799 . 1 1 70 70 LYS HB3 H 1 1.657 0 . 1 . . . . . . . . 6439 1 800 . 1 1 70 70 LYS HD2 H 1 1.567 0 . 1 . . . . . . . . 6439 1 801 . 1 1 70 70 LYS HD3 H 1 1.57 0 . 1 . . . . . . . . 6439 1 802 . 1 1 70 70 LYS HG2 H 1 1.176 0 . 2 . . . . . . . . 6439 1 803 . 1 1 70 70 LYS HG3 H 1 1.361 0 . 2 . . . . . . . . 6439 1 804 . 1 1 70 70 LYS N N 15 118.773 0 . 1 . . . . . . . . 6439 1 805 . 1 1 71 71 ASN C C 13 173.984 0 . 1 . . . . . . . . 6439 1 806 . 1 1 71 71 ASN CA C 13 54.511 0 . 1 . . . . . . . . 6439 1 807 . 1 1 71 71 ASN CB C 13 37.057 0 . 1 . . . . . . . . 6439 1 808 . 1 1 71 71 ASN H H 1 8.762 0 . 1 . . . . . . . . 6439 1 809 . 1 1 71 71 ASN HA H 1 3.853 0 . 1 . . . . . . . . 6439 1 810 . 1 1 71 71 ASN HB2 H 1 2.766 0 . 1 . . . . . . . . 6439 1 811 . 1 1 71 71 ASN HB3 H 1 2.764 0 . 1 . . . . . . . . 6439 1 812 . 1 1 71 71 ASN N N 15 118.268 0 . 1 . . . . . . . . 6439 1 813 . 1 1 72 72 VAL C C 13 174.873 0 . 1 . . . . . . . . 6439 1 814 . 1 1 72 72 VAL CA C 13 62.316 0 . 1 . . . . . . . . 6439 1 815 . 1 1 72 72 VAL CB C 13 33.253 0 . 1 . . . . . . . . 6439 1 816 . 1 1 72 72 VAL CG1 C 13 21.553 0 . 2 . . . . . . . . 6439 1 817 . 1 1 72 72 VAL CG2 C 13 21.584 0 . 2 . . . . . . . . 6439 1 818 . 1 1 72 72 VAL H H 1 8.982 0 . 1 . . . . . . . . 6439 1 819 . 1 1 72 72 VAL HA H 1 4.103 0 . 1 . . . . . . . . 6439 1 820 . 1 1 72 72 VAL HB H 1 1.789 0 . 1 . . . . . . . . 6439 1 821 . 1 1 72 72 VAL HG11 H 1 0.808 0 . 1 . . . . . . . . 6439 1 822 . 1 1 72 72 VAL HG12 H 1 0.808 0 . 1 . . . . . . . . 6439 1 823 . 1 1 72 72 VAL HG13 H 1 0.808 0 . 1 . . . . . . . . 6439 1 824 . 1 1 72 72 VAL HG21 H 1 0.798 0 . 1 . . . . . . . . 6439 1 825 . 1 1 72 72 VAL HG22 H 1 0.798 0 . 1 . . . . . . . . 6439 1 826 . 1 1 72 72 VAL HG23 H 1 0.798 0 . 1 . . . . . . . . 6439 1 827 . 1 1 72 72 VAL N N 15 121.846 0 . 1 . . . . . . . . 6439 1 828 . 1 1 73 73 GLU C C 13 175.962 0 . 1 . . . . . . . . 6439 1 829 . 1 1 73 73 GLU CA C 13 56.171 0 . 1 . . . . . . . . 6439 1 830 . 1 1 73 73 GLU CB C 13 31.705 0 . 1 . . . . . . . . 6439 1 831 . 1 1 73 73 GLU CG C 13 37.674 0 . 1 . . . . . . . . 6439 1 832 . 1 1 73 73 GLU H H 1 8.525 0 . 1 . . . . . . . . 6439 1 833 . 1 1 73 73 GLU HA H 1 4.849 0 . 1 . . . . . . . . 6439 1 834 . 1 1 73 73 GLU HB2 H 1 1.991 0 . 1 . . . . . . . . 6439 1 835 . 1 1 73 73 GLU HB3 H 1 1.992 0 . 1 . . . . . . . . 6439 1 836 . 1 1 73 73 GLU HG2 H 1 1.99 0 . 1 . . . . . . . . 6439 1 837 . 1 1 73 73 GLU HG3 H 1 1.992 0 . 1 . . . . . . . . 6439 1 838 . 1 1 73 73 GLU N N 15 128.944 0 . 1 . . . . . . . . 6439 1 839 . 1 1 74 74 ILE C C 13 172.716 0 . 1 . . . . . . . . 6439 1 840 . 1 1 74 74 ILE CB C 13 42.228 0 . 1 . . . . . . . . 6439 1 841 . 1 1 74 74 ILE CA C 13 60.642 0 . 1 . . . . . . . . 6439 1 842 . 1 1 74 74 ILE CD1 C 13 14.027 0 . 1 . . . . . . . . 6439 1 843 . 1 1 74 74 ILE CG1 C 13 26.417 0 . 1 . . . . . . . . 6439 1 844 . 1 1 74 74 ILE CG2 C 13 18.043 0 . 1 . . . . . . . . 6439 1 845 . 1 1 74 74 ILE H H 1 9.126 0 . 1 . . . . . . . . 6439 1 846 . 1 1 74 74 ILE HA H 1 4.249 0 . 1 . . . . . . . . 6439 1 847 . 1 1 74 74 ILE HB H 1 1.503 0 . 1 . . . . . . . . 6439 1 848 . 1 1 74 74 ILE HG12 H 1 0.887 0 . 2 . . . . . . . . 6439 1 849 . 1 1 74 74 ILE HG13 H 1 1.425 0 . 2 . . . . . . . . 6439 1 850 . 1 1 74 74 ILE HD11 H 1 0.592 0 . 1 . . . . . . . . 6439 1 851 . 1 1 74 74 ILE HD12 H 1 0.592 0 . 1 . . . . . . . . 6439 1 852 . 1 1 74 74 ILE HD13 H 1 0.592 0 . 1 . . . . . . . . 6439 1 853 . 1 1 74 74 ILE HG21 H 1 0.695 0 . 1 . . . . . . . . 6439 1 854 . 1 1 74 74 ILE HG22 H 1 0.695 0 . 1 . . . . . . . . 6439 1 855 . 1 1 74 74 ILE HG23 H 1 0.695 0 . 1 . . . . . . . . 6439 1 856 . 1 1 74 74 ILE N N 15 124.826 0 . 1 . . . . . . . . 6439 1 857 . 1 1 75 75 LYS C C 13 175.203 0 . 1 . . . . . . . . 6439 1 858 . 1 1 75 75 LYS CA C 13 54.537 0 . 1 . . . . . . . . 6439 1 859 . 1 1 75 75 LYS CB C 13 34.627 0 . 1 . . . . . . . . 6439 1 860 . 1 1 75 75 LYS H H 1 7.998 0 . 1 . . . . . . . . 6439 1 861 . 1 1 75 75 LYS N N 15 125.208 0 . 1 . . . . . . . . 6439 1 862 . 1 1 75 75 LYS CG C 13 25.055 0 . 1 . . . . . . . . 6439 1 863 . 1 1 75 75 LYS HA H 1 4.786 0 . 1 . . . . . . . . 6439 1 864 . 1 1 75 75 LYS HB2 H 1 1.546 0 . 2 . . . . . . . . 6439 1 865 . 1 1 75 75 LYS HB3 H 1 1.367 0 . 2 . . . . . . . . 6439 1 866 . 1 1 75 75 LYS HG2 H 1 0.546 0 . 1 . . . . . . . . 6439 1 867 . 1 1 75 75 LYS HG3 H 1 0.546 0 . 1 . . . . . . . . 6439 1 868 . 1 1 76 76 LEU C C 13 176.562 0 . 1 . . . . . . . . 6439 1 869 . 1 1 76 76 LEU CA C 13 54.131 0 . 1 . . . . . . . . 6439 1 870 . 1 1 76 76 LEU CB C 13 44.062 0 . 1 . . . . . . . . 6439 1 871 . 1 1 76 76 LEU H H 1 8.802 0 . 1 . . . . . . . . 6439 1 872 . 1 1 76 76 LEU N N 15 126.381 0 . 1 . . . . . . . . 6439 1 873 . 1 1 76 76 LEU CD1 C 13 22.94 0 . 2 . . . . . . . . 6439 1 874 . 1 1 76 76 LEU CD2 C 13 22.974 0 . 2 . . . . . . . . 6439 1 875 . 1 1 76 76 LEU CG C 13 25.303 0 . 1 . . . . . . . . 6439 1 876 . 1 1 76 76 LEU HA H 1 4.718 0 . 1 . . . . . . . . 6439 1 877 . 1 1 76 76 LEU HB2 H 1 1.763 0 . 2 . . . . . . . . 6439 1 878 . 1 1 76 76 LEU HB3 H 1 1.467 0 . 2 . . . . . . . . 6439 1 879 . 1 1 76 76 LEU HG H 1 0.402 0 . 1 . . . . . . . . 6439 1 880 . 1 1 76 76 LEU HD11 H 1 0.501 0 . 1 . . . . . . . . 6439 1 881 . 1 1 76 76 LEU HD12 H 1 0.501 0 . 1 . . . . . . . . 6439 1 882 . 1 1 76 76 LEU HD13 H 1 0.501 0 . 1 . . . . . . . . 6439 1 883 . 1 1 76 76 LEU HD21 H 1 0.5 0 . 1 . . . . . . . . 6439 1 884 . 1 1 76 76 LEU HD22 H 1 0.5 0 . 1 . . . . . . . . 6439 1 885 . 1 1 76 76 LEU HD23 H 1 0.5 0 . 1 . . . . . . . . 6439 1 886 . 1 1 77 77 LYS C C 13 174.373 0 . 1 . . . . . . . . 6439 1 887 . 1 1 77 77 LYS CA C 13 57.499 0 . 1 . . . . . . . . 6439 1 888 . 1 1 77 77 LYS CB C 13 34.659 0 . 1 . . . . . . . . 6439 1 889 . 1 1 77 77 LYS H H 1 7.889 0 . 1 . . . . . . . . 6439 1 890 . 1 1 77 77 LYS N N 15 118.997 0 . 1 . . . . . . . . 6439 1 891 . 1 1 77 77 LYS CG C 13 26.081 0 . 1 . . . . . . . . 6439 1 892 . 1 1 77 77 LYS HA H 1 4.04 0 . 1 . . . . . . . . 6439 1 893 . 1 1 77 77 LYS HB2 H 1 1.19 0 . 2 . . . . . . . . 6439 1 894 . 1 1 77 77 LYS HB3 H 1 1.38 0 . 2 . . . . . . . . 6439 1 895 . 1 1 77 77 LYS HG2 H 1 0.885 0 . 1 . . . . . . . . 6439 1 896 . 1 1 77 77 LYS HG3 H 1 0.885 0 . 1 . . . . . . . . 6439 1 897 . 1 1 78 78 THR C C 13 175.173 0 . 1 . . . . . . . . 6439 1 898 . 1 1 78 78 THR CA C 13 58.646 0 . 1 . . . . . . . . 6439 1 899 . 1 1 78 78 THR CB C 13 72.204 0 . 1 . . . . . . . . 6439 1 900 . 1 1 78 78 THR H H 1 6.88 0 . 1 . . . . . . . . 6439 1 901 . 1 1 78 78 THR HA H 1 5.043 0 . 1 . . . . . . . . 6439 1 902 . 1 1 78 78 THR N N 15 129.987 0 . 1 . . . . . . . . 6439 1 903 . 1 1 78 78 THR CG2 C 13 23.563 0 . 1 . . . . . . . . 6439 1 904 . 1 1 78 78 THR HB H 1 3.859 0 . 1 . . . . . . . . 6439 1 905 . 1 1 78 78 THR HG21 H 1 1.247 0 . 1 . . . . . . . . 6439 1 906 . 1 1 78 78 THR HG22 H 1 1.247 0 . 1 . . . . . . . . 6439 1 907 . 1 1 78 78 THR HG23 H 1 1.247 0 . 1 . . . . . . . . 6439 1 908 . 1 1 79 79 PHE C C 13 175.726 0 . 1 . . . . . . . . 6439 1 909 . 1 1 79 79 PHE CA C 13 57.528 0 . 1 . . . . . . . . 6439 1 910 . 1 1 79 79 PHE CB C 13 43.864 0 . 1 . . . . . . . . 6439 1 911 . 1 1 79 79 PHE H H 1 8.911 0 . 1 . . . . . . . . 6439 1 912 . 1 1 79 79 PHE HA H 1 4.651 0 . 1 . . . . . . . . 6439 1 913 . 1 1 79 79 PHE HB2 H 1 3.139 0 . 2 . . . . . . . . 6439 1 914 . 1 1 79 79 PHE HB3 H 1 2.395 0 . 2 . . . . . . . . 6439 1 915 . 1 1 79 79 PHE N N 15 117.553 0 . 1 . . . . . . . . 6439 1 916 . 1 1 79 79 PHE HD1 H 1 7.171 0 . 1 . . . . . . . . 6439 1 917 . 1 1 79 79 PHE HE1 H 1 7.329 0 . 1 . . . . . . . . 6439 1 918 . 1 1 79 79 PHE HZ H 1 7.208 0 . 1 . . . . . . . . 6439 1 919 . 1 1 80 80 GLY C C 13 174.719 0 . 1 . . . . . . . . 6439 1 920 . 1 1 80 80 GLY CA C 13 45.345 0 . 1 . . . . . . . . 6439 1 921 . 1 1 80 80 GLY H H 1 8.84 0 . 1 . . . . . . . . 6439 1 922 . 1 1 80 80 GLY N N 15 109.639 0 . 1 . . . . . . . . 6439 1 923 . 1 1 80 80 GLY HA2 H 1 3.884 0 . 2 . . . . . . . . 6439 1 924 . 1 1 80 80 GLY HA3 H 1 4.354 0 . 2 . . . . . . . . 6439 1 925 . 1 1 81 81 PRO C C 13 177.632 0 . 1 . . . . . . . . 6439 1 926 . 1 1 81 81 PRO CA C 13 64.463 0 . 1 . . . . . . . . 6439 1 927 . 1 1 81 81 PRO CB C 13 32.103 0 . 1 . . . . . . . . 6439 1 928 . 1 1 81 81 PRO CG C 13 27.023 0 . 1 . . . . . . . . 6439 1 929 . 1 1 81 81 PRO HA H 1 4.455 0 . 1 . . . . . . . . 6439 1 930 . 1 1 81 81 PRO HB2 H 1 2.094 0 . 2 . . . . . . . . 6439 1 931 . 1 1 81 81 PRO HB3 H 1 2.361 0 . 2 . . . . . . . . 6439 1 932 . 1 1 81 81 PRO HG2 H 1 2.093 0 . 1 . . . . . . . . 6439 1 933 . 1 1 81 81 PRO HG3 H 1 2.097 0 . 1 . . . . . . . . 6439 1 934 . 1 1 82 82 GLU C C 13 177.159 0 . 1 . . . . . . . . 6439 1 935 . 1 1 82 82 GLU CA C 13 55.872 0 . 1 . . . . . . . . 6439 1 936 . 1 1 82 82 GLU CB C 13 29.483 0 . 1 . . . . . . . . 6439 1 937 . 1 1 82 82 GLU H H 1 8.024 0 . 1 . . . . . . . . 6439 1 938 . 1 1 82 82 GLU N N 15 116.94 0 . 1 . . . . . . . . 6439 1 939 . 1 1 82 82 GLU CG C 13 35.757 0 . 1 . . . . . . . . 6439 1 940 . 1 1 82 82 GLU HA H 1 4.397 0 . 1 . . . . . . . . 6439 1 941 . 1 1 82 82 GLU HB2 H 1 1.923 0 . 2 . . . . . . . . 6439 1 942 . 1 1 82 82 GLU HB3 H 1 2.263 0 . 2 . . . . . . . . 6439 1 943 . 1 1 82 82 GLU HG2 H 1 2.166 0 . 2 . . . . . . . . 6439 1 944 . 1 1 82 82 GLU HG3 H 1 2.319 0 . 2 . . . . . . . . 6439 1 945 . 1 1 83 83 GLN C C 13 177.806 0 . 1 . . . . . . . . 6439 1 946 . 1 1 83 83 GLN CB C 13 32.389 0 . 1 . . . . . . . . 6439 1 947 . 1 1 83 83 GLN H H 1 7.409 0 . 1 . . . . . . . . 6439 1 948 . 1 1 83 83 GLN HA H 1 4.139 0 . 1 . . . . . . . . 6439 1 949 . 1 1 83 83 GLN N N 15 120.266 0 . 1 . . . . . . . . 6439 1 950 . 1 1 83 83 GLN CA C 13 57.808 0 . 1 . . . . . . . . 6439 1 951 . 1 1 83 83 GLN CG C 13 29.581 0 . 1 . . . . . . . . 6439 1 952 . 1 1 83 83 GLN HB2 H 1 2.255 0 . 1 . . . . . . . . 6439 1 953 . 1 1 83 83 GLN HB3 H 1 2.255 0 . 1 . . . . . . . . 6439 1 954 . 1 1 83 83 GLN HG2 H 1 1.907 0 . 1 . . . . . . . . 6439 1 955 . 1 1 83 83 GLN HG3 H 1 1.906 0 . 1 . . . . . . . . 6439 1 956 . 1 1 84 84 SER C C 13 175.186 0 . 1 . . . . . . . . 6439 1 957 . 1 1 84 84 SER CA C 13 59.646 0 . 1 . . . . . . . . 6439 1 958 . 1 1 84 84 SER CB C 13 62.868 0 . 1 . . . . . . . . 6439 1 959 . 1 1 84 84 SER H H 1 8.194 0 . 1 . . . . . . . . 6439 1 960 . 1 1 84 84 SER HA H 1 4.171 0 . 1 . . . . . . . . 6439 1 961 . 1 1 84 84 SER HB2 H 1 3.868 0 . 1 . . . . . . . . 6439 1 962 . 1 1 84 84 SER HB3 H 1 3.868 0 . 1 . . . . . . . . 6439 1 963 . 1 1 84 84 SER N N 15 114.561 0 . 1 . . . . . . . . 6439 1 964 . 1 1 85 85 LYS C C 13 177.33 0 . 1 . . . . . . . . 6439 1 965 . 1 1 85 85 LYS CA C 13 57.178 0 . 1 . . . . . . . . 6439 1 966 . 1 1 85 85 LYS CB C 13 32.722 0 . 1 . . . . . . . . 6439 1 967 . 1 1 85 85 LYS H H 1 7.841 0 . 1 . . . . . . . . 6439 1 968 . 1 1 85 85 LYS N N 15 121.915 0 . 1 . . . . . . . . 6439 1 969 . 1 1 85 85 LYS CD C 13 29.425 0 . 1 . . . . . . . . 6439 1 970 . 1 1 85 85 LYS CG C 13 25.484 0 . 1 . . . . . . . . 6439 1 971 . 1 1 85 85 LYS HA H 1 4.176 0 . 1 . . . . . . . . 6439 1 972 . 1 1 85 85 LYS HB2 H 1 1.939 0 . 1 . . . . . . . . 6439 1 973 . 1 1 85 85 LYS HB3 H 1 1.938 0 . 1 . . . . . . . . 6439 1 974 . 1 1 85 85 LYS HD2 H 1 1.671 0 . 1 . . . . . . . . 6439 1 975 . 1 1 85 85 LYS HD3 H 1 1.672 0 . 1 . . . . . . . . 6439 1 976 . 1 1 85 85 LYS HG2 H 1 1.417 0 . 1 . . . . . . . . 6439 1 977 . 1 1 85 85 LYS HG3 H 1 1.417 0 . 1 . . . . . . . . 6439 1 978 . 1 1 86 86 GLY C C 13 170.711 0 . 1 . . . . . . . . 6439 1 979 . 1 1 86 86 GLY H H 1 7.496 0 . 1 . . . . . . . . 6439 1 980 . 1 1 86 86 GLY N N 15 107.969 0 . 1 . . . . . . . . 6439 1 981 . 1 1 86 86 GLY CA C 13 44.26 0 . 1 . . . . . . . . 6439 1 982 . 1 1 86 86 GLY HA2 H 1 3.813 0 . 2 . . . . . . . . 6439 1 983 . 1 1 86 86 GLY HA3 H 1 4.228 0 . 2 . . . . . . . . 6439 1 984 . 1 1 87 87 PRO C C 13 176.216 0 . 1 . . . . . . . . 6439 1 985 . 1 1 87 87 PRO CA C 13 62.594 0 . 1 . . . . . . . . 6439 1 986 . 1 1 87 87 PRO CB C 13 32.711 0 . 1 . . . . . . . . 6439 1 987 . 1 1 87 87 PRO CG C 13 26.093 0 . 1 . . . . . . . . 6439 1 988 . 1 1 87 87 PRO HA H 1 4.502 0 . 1 . . . . . . . . 6439 1 989 . 1 1 87 87 PRO HB2 H 1 1.3 0 . 2 . . . . . . . . 6439 1 990 . 1 1 87 87 PRO HB3 H 1 0.979 0 . 2 . . . . . . . . 6439 1 991 . 1 1 87 87 PRO HG2 H 1 1.177 0 . 2 . . . . . . . . 6439 1 992 . 1 1 87 87 PRO HG3 H 1 0.98 0 . 2 . . . . . . . . 6439 1 993 . 1 1 88 88 ILE C C 13 174.247 0 . 1 . . . . . . . . 6439 1 994 . 1 1 88 88 ILE CA C 13 58.339 0 . 1 . . . . . . . . 6439 1 995 . 1 1 88 88 ILE CB C 13 39.958 0 . 1 . . . . . . . . 6439 1 996 . 1 1 88 88 ILE CG2 C 13 17.953 0 . 1 . . . . . . . . 6439 1 997 . 1 1 88 88 ILE H H 1 8.227 0 . 1 . . . . . . . . 6439 1 998 . 1 1 88 88 ILE HA H 1 4.473 0 . 1 . . . . . . . . 6439 1 999 . 1 1 88 88 ILE HG21 H 1 0.718 0 . 1 . . . . . . . . 6439 1 1000 . 1 1 88 88 ILE HG22 H 1 0.718 0 . 1 . . . . . . . . 6439 1 1001 . 1 1 88 88 ILE HG23 H 1 0.718 0 . 1 . . . . . . . . 6439 1 1002 . 1 1 88 88 ILE N N 15 117.466 0 . 1 . . . . . . . . 6439 1 1003 . 1 1 88 88 ILE CD1 C 13 12.989 0 . 1 . . . . . . . . 6439 1 1004 . 1 1 88 88 ILE CG1 C 13 26.672 0 . 1 . . . . . . . . 6439 1 1005 . 1 1 88 88 ILE HB H 1 1.726 0 . 1 . . . . . . . . 6439 1 1006 . 1 1 88 88 ILE HG12 H 1 1.128 0 . 1 . . . . . . . . 6439 1 1007 . 1 1 88 88 ILE HG13 H 1 1.127 0 . 1 . . . . . . . . 6439 1 1008 . 1 1 88 88 ILE HD11 H 1 0.718 0 . 1 . . . . . . . . 6439 1 1009 . 1 1 88 88 ILE HD12 H 1 0.718 0 . 1 . . . . . . . . 6439 1 1010 . 1 1 88 88 ILE HD13 H 1 0.718 0 . 1 . . . . . . . . 6439 1 1011 . 1 1 89 89 PHE C C 13 175.612 0 . 1 . . . . . . . . 6439 1 1012 . 1 1 89 89 PHE CA C 13 56.626 0 . 1 . . . . . . . . 6439 1 1013 . 1 1 89 89 PHE CB C 13 40.217 0 . 1 . . . . . . . . 6439 1 1014 . 1 1 89 89 PHE H H 1 8.446 0 . 1 . . . . . . . . 6439 1 1015 . 1 1 89 89 PHE N N 15 124.946 0 . 1 . . . . . . . . 6439 1 1016 . 1 1 89 89 PHE HA H 1 5.122 0 . 1 . . . . . . . . 6439 1 1017 . 1 1 89 89 PHE HB2 H 1 2.762 0 . 2 . . . . . . . . 6439 1 1018 . 1 1 89 89 PHE HB3 H 1 2.916 0 . 2 . . . . . . . . 6439 1 1019 . 1 1 89 89 PHE HD1 H 1 7.084 0 . 1 . . . . . . . . 6439 1 1020 . 1 1 89 89 PHE HE1 H 1 7.196 0 . 1 . . . . . . . . 6439 1 1021 . 1 1 90 90 VAL C C 13 173.128 0 . 1 . . . . . . . . 6439 1 1022 . 1 1 90 90 VAL CA C 13 59.631 0 . 1 . . . . . . . . 6439 1 1023 . 1 1 90 90 VAL CB C 13 34.89 0 . 1 . . . . . . . . 6439 1 1024 . 1 1 90 90 VAL H H 1 8.876 0 . 1 . . . . . . . . 6439 1 1025 . 1 1 90 90 VAL HA H 1 4.507 0 . 1 . . . . . . . . 6439 1 1026 . 1 1 90 90 VAL N N 15 120.927 0 . 1 . . . . . . . . 6439 1 1027 . 1 1 90 90 VAL CG1 C 13 20.602 0 . 1 . . . . . . . . 6439 1 1028 . 1 1 90 90 VAL CG2 C 13 22.013 0 . 1 . . . . . . . . 6439 1 1029 . 1 1 90 90 VAL HB H 1 1.842 0 . 1 . . . . . . . . 6439 1 1030 . 1 1 90 90 VAL HG11 H 1 0.789 0 . 2 . . . . . . . . 6439 1 1031 . 1 1 90 90 VAL HG12 H 1 0.789 0 . 2 . . . . . . . . 6439 1 1032 . 1 1 90 90 VAL HG13 H 1 0.789 0 . 2 . . . . . . . . 6439 1 1033 . 1 1 90 90 VAL HG21 H 1 1.021 0 . 2 . . . . . . . . 6439 1 1034 . 1 1 90 90 VAL HG22 H 1 1.021 0 . 2 . . . . . . . . 6439 1 1035 . 1 1 90 90 VAL HG23 H 1 1.021 0 . 2 . . . . . . . . 6439 1 1036 . 1 1 91 91 ILE C C 13 176.223 0 . 1 . . . . . . . . 6439 1 1037 . 1 1 91 91 ILE CA C 13 59.844 0 . 1 . . . . . . . . 6439 1 1038 . 1 1 91 91 ILE CB C 13 37.586 0 . 1 . . . . . . . . 6439 1 1039 . 1 1 91 91 ILE H H 1 8.6 0 . 1 . . . . . . . . 6439 1 1040 . 1 1 91 91 ILE N N 15 126.583 0 . 1 . . . . . . . . 6439 1 1041 . 1 1 91 91 ILE CD1 C 13 12.284 0 . 1 . . . . . . . . 6439 1 1042 . 1 1 91 91 ILE CG1 C 13 27.692 0 . 1 . . . . . . . . 6439 1 1043 . 1 1 91 91 ILE CG2 C 13 17.802 0 . 1 . . . . . . . . 6439 1 1044 . 1 1 91 91 ILE HA H 1 4.639 0 . 1 . . . . . . . . 6439 1 1045 . 1 1 91 91 ILE HB H 1 1.708 0 . 1 . . . . . . . . 6439 1 1046 . 1 1 91 91 ILE HG12 H 1 1.476 0 . 2 . . . . . . . . 6439 1 1047 . 1 1 91 91 ILE HG13 H 1 0.956 0 . 2 . . . . . . . . 6439 1 1048 . 1 1 91 91 ILE HD11 H 1 0.764 0 . 1 . . . . . . . . 6439 1 1049 . 1 1 91 91 ILE HD12 H 1 0.764 0 . 1 . . . . . . . . 6439 1 1050 . 1 1 91 91 ILE HD13 H 1 0.764 0 . 1 . . . . . . . . 6439 1 1051 . 1 1 91 91 ILE HG21 H 1 0.603 0 . 1 . . . . . . . . 6439 1 1052 . 1 1 91 91 ILE HG22 H 1 0.603 0 . 1 . . . . . . . . 6439 1 1053 . 1 1 91 91 ILE HG23 H 1 0.603 0 . 1 . . . . . . . . 6439 1 1054 . 1 1 92 92 VAL C C 13 174.363 0 . 1 . . . . . . . . 6439 1 1055 . 1 1 92 92 VAL CA C 13 58.215 0 . 1 . . . . . . . . 6439 1 1056 . 1 1 92 92 VAL CB C 13 35.76 0 . 1 . . . . . . . . 6439 1 1057 . 1 1 92 92 VAL CG1 C 13 18.731 0 . 2 . . . . . . . . 6439 1 1058 . 1 1 92 92 VAL CG2 C 13 21.385 0 . 2 . . . . . . . . 6439 1 1059 . 1 1 92 92 VAL H H 1 9.18 0 . 1 . . . . . . . . 6439 1 1060 . 1 1 92 92 VAL HA H 1 5.262 0 . 1 . . . . . . . . 6439 1 1061 . 1 1 92 92 VAL HG11 H 1 0.819 0 . 2 . . . . . . . . 6439 1 1062 . 1 1 92 92 VAL HG12 H 1 0.819 0 . 2 . . . . . . . . 6439 1 1063 . 1 1 92 92 VAL HG13 H 1 0.819 0 . 2 . . . . . . . . 6439 1 1064 . 1 1 92 92 VAL HG21 H 1 0.699 0 . 2 . . . . . . . . 6439 1 1065 . 1 1 92 92 VAL HG22 H 1 0.699 0 . 2 . . . . . . . . 6439 1 1066 . 1 1 92 92 VAL HG23 H 1 0.699 0 . 2 . . . . . . . . 6439 1 1067 . 1 1 92 92 VAL N N 15 118.457 0 . 1 . . . . . . . . 6439 1 1068 . 1 1 93 93 ASN C C 13 174.546 0 . 1 . . . . . . . . 6439 1 1069 . 1 1 93 93 ASN CA C 13 51.364 0 . 1 . . . . . . . . 6439 1 1070 . 1 1 93 93 ASN CB C 13 38.807 0 . 1 . . . . . . . . 6439 1 1071 . 1 1 93 93 ASN H H 1 8.148 0 . 1 . . . . . . . . 6439 1 1072 . 1 1 93 93 ASN HA H 1 5.188 0 . 1 . . . . . . . . 6439 1 1073 . 1 1 93 93 ASN HB2 H 1 2.795 0 . 2 . . . . . . . . 6439 1 1074 . 1 1 93 93 ASN HB3 H 1 2.546 0 . 2 . . . . . . . . 6439 1 1075 . 1 1 93 93 ASN N N 15 118.554 0 . 1 . . . . . . . . 6439 1 1076 . 1 1 94 94 ALA C C 13 176.022 0 . 1 . . . . . . . . 6439 1 1077 . 1 1 94 94 ALA CA C 13 51.013 0 . 1 . . . . . . . . 6439 1 1078 . 1 1 94 94 ALA CB C 13 21.267 0 . 1 . . . . . . . . 6439 1 1079 . 1 1 94 94 ALA H H 1 8.425 0 . 1 . . . . . . . . 6439 1 1080 . 1 1 94 94 ALA HA H 1 4.54 0 . 1 . . . . . . . . 6439 1 1081 . 1 1 94 94 ALA HB1 H 1 1.119 0 . 1 . . . . . . . . 6439 1 1082 . 1 1 94 94 ALA HB2 H 1 1.119 0 . 1 . . . . . . . . 6439 1 1083 . 1 1 94 94 ALA HB3 H 1 1.119 0 . 1 . . . . . . . . 6439 1 1084 . 1 1 94 94 ALA N N 15 126.089 0 . 1 . . . . . . . . 6439 1 1085 . 1 1 95 95 CYS C C 13 174.269 0 . 1 . . . . . . . . 6439 1 1086 . 1 1 95 95 CYS CA C 13 56.236 0 . 1 . . . . . . . . 6439 1 1087 . 1 1 95 95 CYS CB C 13 29.973 0 . 1 . . . . . . . . 6439 1 1088 . 1 1 95 95 CYS H H 1 8.478 0 . 1 . . . . . . . . 6439 1 1089 . 1 1 95 95 CYS HA H 1 4.732 0 . 1 . . . . . . . . 6439 1 1090 . 1 1 95 95 CYS HB2 H 1 2.732 0 . 1 . . . . . . . . 6439 1 1091 . 1 1 95 95 CYS HB3 H 1 2.731 0 . 1 . . . . . . . . 6439 1 1092 . 1 1 95 95 CYS N N 15 119.778 0 . 1 . . . . . . . . 6439 1 1093 . 1 1 96 96 SER C C 13 173.696 0 . 1 . . . . . . . . 6439 1 1094 . 1 1 96 96 SER CA C 13 60.655 0 . 1 . . . . . . . . 6439 1 1095 . 1 1 96 96 SER CB C 13 63.107 0 . 1 . . . . . . . . 6439 1 1096 . 1 1 96 96 SER H H 1 9.994 0 . 1 . . . . . . . . 6439 1 1097 . 1 1 96 96 SER HA H 1 4.159 0 . 1 . . . . . . . . 6439 1 1098 . 1 1 96 96 SER HB2 H 1 3.835 0 . 2 . . . . . . . . 6439 1 1099 . 1 1 96 96 SER HB3 H 1 3.603 0 . 2 . . . . . . . . 6439 1 1100 . 1 1 96 96 SER N N 15 124.191 0 . 1 . . . . . . . . 6439 1 1101 . 1 1 97 97 SER C C 13 173.536 0 . 1 . . . . . . . . 6439 1 1102 . 1 1 97 97 SER CA C 13 57.25 0 . 1 . . . . . . . . 6439 1 1103 . 1 1 97 97 SER CB C 13 63.288 0 . 1 . . . . . . . . 6439 1 1104 . 1 1 97 97 SER H H 1 8.358 0 . 1 . . . . . . . . 6439 1 1105 . 1 1 97 97 SER HA H 1 4.517 0 . 1 . . . . . . . . 6439 1 1106 . 1 1 97 97 SER HB2 H 1 3.457 0 . 2 . . . . . . . . 6439 1 1107 . 1 1 97 97 SER HB3 H 1 3.162 0 . 2 . . . . . . . . 6439 1 1108 . 1 1 97 97 SER N N 15 123.311 0 . 1 . . . . . . . . 6439 1 1109 . 1 1 98 98 ARG C C 13 176.535 0 . 1 . . . . . . . . 6439 1 1110 . 1 1 98 98 ARG CA C 13 54.194 0 . 1 . . . . . . . . 6439 1 1111 . 1 1 98 98 ARG CB C 13 33.997 0 . 1 . . . . . . . . 6439 1 1112 . 1 1 98 98 ARG CD C 13 43.252 0 . 1 . . . . . . . . 6439 1 1113 . 1 1 98 98 ARG CG C 13 28.644 0 . 1 . . . . . . . . 6439 1 1114 . 1 1 98 98 ARG H H 1 8.576 0 . 1 . . . . . . . . 6439 1 1115 . 1 1 98 98 ARG HA H 1 5.402 0 . 1 . . . . . . . . 6439 1 1116 . 1 1 98 98 ARG HB2 H 1 1.53 0 . 1 . . . . . . . . 6439 1 1117 . 1 1 98 98 ARG HB3 H 1 1.53 0 . 1 . . . . . . . . 6439 1 1118 . 1 1 98 98 ARG HD2 H 1 2.923 0 . 1 . . . . . . . . 6439 1 1119 . 1 1 98 98 ARG HD3 H 1 2.923 0 . 1 . . . . . . . . 6439 1 1120 . 1 1 98 98 ARG HG2 H 1 1.292 0 . 2 . . . . . . . . 6439 1 1121 . 1 1 98 98 ARG HG3 H 1 1.374 0 . 2 . . . . . . . . 6439 1 1122 . 1 1 98 98 ARG N N 15 125.579 0 . 1 . . . . . . . . 6439 1 1123 . 1 1 99 99 ASP C C 13 179.192 0 . 1 . . . . . . . . 6439 1 1124 . 1 1 99 99 ASP CA C 13 51.903 0 . 1 . . . . . . . . 6439 1 1125 . 1 1 99 99 ASP CB C 13 41.669 0 . 1 . . . . . . . . 6439 1 1126 . 1 1 99 99 ASP H H 1 8.08 0 . 1 . . . . . . . . 6439 1 1127 . 1 1 99 99 ASP HA H 1 4.75 0 . 1 . . . . . . . . 6439 1 1128 . 1 1 99 99 ASP HB2 H 1 2.551 0 . 2 . . . . . . . . 6439 1 1129 . 1 1 99 99 ASP HB3 H 1 3.258 0 . 2 . . . . . . . . 6439 1 1130 . 1 1 99 99 ASP N N 15 121.927 0 . 1 . . . . . . . . 6439 1 1131 . 1 1 100 100 TYR C C 13 176.679 0 . 1 . . . . . . . . 6439 1 1132 . 1 1 100 100 TYR CA C 13 60.362 0 . 1 . . . . . . . . 6439 1 1133 . 1 1 100 100 TYR CB C 13 37.442 0 . 1 . . . . . . . . 6439 1 1134 . 1 1 100 100 TYR H H 1 8.155 0 . 1 . . . . . . . . 6439 1 1135 . 1 1 100 100 TYR HA H 1 4.326 0 . 1 . . . . . . . . 6439 1 1136 . 1 1 100 100 TYR HB2 H 1 3.092 0 . 2 . . . . . . . . 6439 1 1137 . 1 1 100 100 TYR HB3 H 1 3.142 0 . 2 . . . . . . . . 6439 1 1138 . 1 1 100 100 TYR HD1 H 1 7.134 0 . 1 . . . . . . . . 6439 1 1139 . 1 1 100 100 TYR N N 15 118.247 0 . 1 . . . . . . . . 6439 1 1140 . 1 1 101 101 THR C C 13 174.44 0 . 1 . . . . . . . . 6439 1 1141 . 1 1 101 101 THR CA C 13 61.848 0 . 1 . . . . . . . . 6439 1 1142 . 1 1 101 101 THR CB C 13 69.386 0 . 1 . . . . . . . . 6439 1 1143 . 1 1 101 101 THR CG2 C 13 21.62 0 . 1 . . . . . . . . 6439 1 1144 . 1 1 101 101 THR H H 1 7.761 0 . 1 . . . . . . . . 6439 1 1145 . 1 1 101 101 THR HA H 1 4.145 0 . 1 . . . . . . . . 6439 1 1146 . 1 1 101 101 THR HB H 1 4.145 0 . 1 . . . . . . . . 6439 1 1147 . 1 1 101 101 THR HG21 H 1 0.875 0 . 1 . . . . . . . . 6439 1 1148 . 1 1 101 101 THR HG22 H 1 0.875 0 . 1 . . . . . . . . 6439 1 1149 . 1 1 101 101 THR HG23 H 1 0.875 0 . 1 . . . . . . . . 6439 1 1150 . 1 1 101 101 THR N N 15 112.494 0 . 1 . . . . . . . . 6439 1 1151 . 1 1 102 102 LYS C C 13 175.307 0 . 1 . . . . . . . . 6439 1 1152 . 1 1 102 102 LYS CA C 13 58.737 0 . 1 . . . . . . . . 6439 1 1153 . 1 1 102 102 LYS CB C 13 29.399 0 . 1 . . . . . . . . 6439 1 1154 . 1 1 102 102 LYS CD C 13 29.146 0 . 1 . . . . . . . . 6439 1 1155 . 1 1 102 102 LYS CE C 13 42.138 0 . 1 . . . . . . . . 6439 1 1156 . 1 1 102 102 LYS CG C 13 25.468 0 . 1 . . . . . . . . 6439 1 1157 . 1 1 102 102 LYS H H 1 8.022 0 . 1 . . . . . . . . 6439 1 1158 . 1 1 102 102 LYS HA H 1 3.618 0 . 1 . . . . . . . . 6439 1 1159 . 1 1 102 102 LYS HB2 H 1 2.287 0 . 1 . . . . . . . . 6439 1 1160 . 1 1 102 102 LYS HB3 H 1 2.288 0 . 1 . . . . . . . . 6439 1 1161 . 1 1 102 102 LYS HD2 H 1 1.565 0 . 2 . . . . . . . . 6439 1 1162 . 1 1 102 102 LYS HD3 H 1 1.979 0 . 2 . . . . . . . . 6439 1 1163 . 1 1 102 102 LYS HE2 H 1 2.908 0 . 1 . . . . . . . . 6439 1 1164 . 1 1 102 102 LYS HE3 H 1 2.908 0 . 1 . . . . . . . . 6439 1 1165 . 1 1 102 102 LYS HG2 H 1 1.279 0 . 1 . . . . . . . . 6439 1 1166 . 1 1 102 102 LYS HG3 H 1 1.278 0 . 1 . . . . . . . . 6439 1 1167 . 1 1 102 102 LYS N N 15 113.372 0 . 1 . . . . . . . . 6439 1 1168 . 1 1 103 103 ASN C C 13 174.753 0 . 1 . . . . . . . . 6439 1 1169 . 1 1 103 103 ASN CA C 13 53.204 0 . 1 . . . . . . . . 6439 1 1170 . 1 1 103 103 ASN CB C 13 39.076 0 . 1 . . . . . . . . 6439 1 1171 . 1 1 103 103 ASN H H 1 8.092 0 . 1 . . . . . . . . 6439 1 1172 . 1 1 103 103 ASN HA H 1 4.558 0 . 1 . . . . . . . . 6439 1 1173 . 1 1 103 103 ASN HB2 H 1 2.505 0 . 2 . . . . . . . . 6439 1 1174 . 1 1 103 103 ASN HB3 H 1 2.556 0 . 2 . . . . . . . . 6439 1 1175 . 1 1 103 103 ASN N N 15 120.47 0 . 1 . . . . . . . . 6439 1 1176 . 1 1 104 104 ILE C C 13 177.197 0 . 1 . . . . . . . . 6439 1 1177 . 1 1 104 104 ILE CA C 13 62.791 0 . 1 . . . . . . . . 6439 1 1178 . 1 1 104 104 ILE CB C 13 37.775 0 . 1 . . . . . . . . 6439 1 1179 . 1 1 104 104 ILE CD1 C 13 13.658 0 . 1 . . . . . . . . 6439 1 1180 . 1 1 104 104 ILE CG2 C 13 18.275 0 . 1 . . . . . . . . 6439 1 1181 . 1 1 104 104 ILE H H 1 8.568 0 . 1 . . . . . . . . 6439 1 1182 . 1 1 104 104 ILE HA H 1 4.255 0 . 1 . . . . . . . . 6439 1 1183 . 1 1 104 104 ILE HB H 1 1.724 0 . 1 . . . . . . . . 6439 1 1184 . 1 1 104 104 ILE HD11 H 1 0.708 0 . 1 . . . . . . . . 6439 1 1185 . 1 1 104 104 ILE HD12 H 1 0.708 0 . 1 . . . . . . . . 6439 1 1186 . 1 1 104 104 ILE HD13 H 1 0.708 0 . 1 . . . . . . . . 6439 1 1187 . 1 1 104 104 ILE HG21 H 1 1.063 0 . 1 . . . . . . . . 6439 1 1188 . 1 1 104 104 ILE HG22 H 1 1.063 0 . 1 . . . . . . . . 6439 1 1189 . 1 1 104 104 ILE HG23 H 1 1.063 0 . 1 . . . . . . . . 6439 1 1190 . 1 1 104 104 ILE N N 15 122.527 0 . 1 . . . . . . . . 6439 1 1191 . 1 1 105 105 VAL C C 13 175.483 0 . 1 . . . . . . . . 6439 1 1192 . 1 1 105 105 VAL CA C 13 60.421 0 . 1 . . . . . . . . 6439 1 1193 . 1 1 105 105 VAL CB C 13 31.975 0 . 1 . . . . . . . . 6439 1 1194 . 1 1 105 105 VAL CG1 C 13 17.786 0 . 2 . . . . . . . . 6439 1 1195 . 1 1 105 105 VAL CG2 C 13 21.401 0 . 2 . . . . . . . . 6439 1 1196 . 1 1 105 105 VAL H H 1 8.692 0 . 1 . . . . . . . . 6439 1 1197 . 1 1 105 105 VAL HA H 1 4.413 0 . 1 . . . . . . . . 6439 1 1198 . 1 1 105 105 VAL HB H 1 2.428 0 . 1 . . . . . . . . 6439 1 1199 . 1 1 105 105 VAL HG11 H 1 0.49 0 . 2 . . . . . . . . 6439 1 1200 . 1 1 105 105 VAL HG12 H 1 0.49 0 . 2 . . . . . . . . 6439 1 1201 . 1 1 105 105 VAL HG13 H 1 0.49 0 . 2 . . . . . . . . 6439 1 1202 . 1 1 105 105 VAL HG21 H 1 0.742 0 . 2 . . . . . . . . 6439 1 1203 . 1 1 105 105 VAL HG22 H 1 0.742 0 . 2 . . . . . . . . 6439 1 1204 . 1 1 105 105 VAL HG23 H 1 0.742 0 . 2 . . . . . . . . 6439 1 1205 . 1 1 105 105 VAL N N 15 120.332 0 . 1 . . . . . . . . 6439 1 1206 . 1 1 106 106 GLY C C 13 170.727 0 . 1 . . . . . . . . 6439 1 1207 . 1 1 106 106 GLY CA C 13 45.491 0 . 1 . . . . . . . . 6439 1 1208 . 1 1 106 106 GLY H H 1 7.577 0 . 1 . . . . . . . . 6439 1 1209 . 1 1 106 106 GLY HA2 H 1 3.516 0 . 2 . . . . . . . . 6439 1 1210 . 1 1 106 106 GLY HA3 H 1 4.623 0 . 2 . . . . . . . . 6439 1 1211 . 1 1 106 106 GLY N N 15 109.938 0 . 1 . . . . . . . . 6439 1 1212 . 1 1 107 107 VAL C C 13 173.044 0 . 1 . . . . . . . . 6439 1 1213 . 1 1 107 107 VAL CA C 13 61.168 0 . 1 . . . . . . . . 6439 1 1214 . 1 1 107 107 VAL CB C 13 36.104 0 . 1 . . . . . . . . 6439 1 1215 . 1 1 107 107 VAL CG1 C 13 21.683 0 . 2 . . . . . . . . 6439 1 1216 . 1 1 107 107 VAL CG2 C 13 22.615 0 . 2 . . . . . . . . 6439 1 1217 . 1 1 107 107 VAL H H 1 8.228 0 . 1 . . . . . . . . 6439 1 1218 . 1 1 107 107 VAL HA H 1 4.386 0 . 1 . . . . . . . . 6439 1 1219 . 1 1 107 107 VAL HB H 1 1.49 0 . 1 . . . . . . . . 6439 1 1220 . 1 1 107 107 VAL HG11 H 1 -0.017 0 . 2 . . . . . . . . 6439 1 1221 . 1 1 107 107 VAL HG12 H 1 -0.017 0 . 2 . . . . . . . . 6439 1 1222 . 1 1 107 107 VAL HG13 H 1 -0.017 0 . 2 . . . . . . . . 6439 1 1223 . 1 1 107 107 VAL HG21 H 1 0.667 0 . 2 . . . . . . . . 6439 1 1224 . 1 1 107 107 VAL HG22 H 1 0.667 0 . 2 . . . . . . . . 6439 1 1225 . 1 1 107 107 VAL HG23 H 1 0.667 0 . 2 . . . . . . . . 6439 1 1226 . 1 1 107 107 VAL N N 15 119.152 0 . 1 . . . . . . . . 6439 1 1227 . 1 1 108 108 CYS C C 13 171.822 0 . 1 . . . . . . . . 6439 1 1228 . 1 1 108 108 CYS CA C 13 57.076 0 . 1 . . . . . . . . 6439 1 1229 . 1 1 108 108 CYS CB C 13 28.875 0 . 1 . . . . . . . . 6439 1 1230 . 1 1 108 108 CYS H H 1 9.014 0 . 1 . . . . . . . . 6439 1 1231 . 1 1 108 108 CYS HA H 1 4.657 0 . 1 . . . . . . . . 6439 1 1232 . 1 1 108 108 CYS HB2 H 1 2.518 0 . 1 . . . . . . . . 6439 1 1233 . 1 1 108 108 CYS HB3 H 1 2.519 0 . 1 . . . . . . . . 6439 1 1234 . 1 1 108 108 CYS N N 15 126.962 0 . 1 . . . . . . . . 6439 1 1235 . 1 1 109 109 PHE C C 13 173.258 0 . 1 . . . . . . . . 6439 1 1236 . 1 1 109 109 PHE CA C 13 56.512 0 . 1 . . . . . . . . 6439 1 1237 . 1 1 109 109 PHE CB C 13 38.705 0 . 1 . . . . . . . . 6439 1 1238 . 1 1 109 109 PHE H H 1 9.349 0 . 1 . . . . . . . . 6439 1 1239 . 1 1 109 109 PHE HA H 1 4.8 0 . 1 . . . . . . . . 6439 1 1240 . 1 1 109 109 PHE HB2 H 1 1.44 0 . 2 . . . . . . . . 6439 1 1241 . 1 1 109 109 PHE HB3 H 1 1.712 0 . 2 . . . . . . . . 6439 1 1242 . 1 1 109 109 PHE HD1 H 1 6.81 0 . 1 . . . . . . . . 6439 1 1243 . 1 1 109 109 PHE HE1 H 1 7.033 0 . 1 . . . . . . . . 6439 1 1244 . 1 1 109 109 PHE HZ H 1 6.532 0 . 1 . . . . . . . . 6439 1 1245 . 1 1 109 109 PHE N N 15 128.007 0 . 1 . . . . . . . . 6439 1 1246 . 1 1 110 110 VAL C C 13 177.313 0 . 1 . . . . . . . . 6439 1 1247 . 1 1 110 110 VAL CA C 13 61.176 0 . 1 . . . . . . . . 6439 1 1248 . 1 1 110 110 VAL CB C 13 33.896 0 . 1 . . . . . . . . 6439 1 1249 . 1 1 110 110 VAL CG1 C 13 20.879 0 . 2 . . . . . . . . 6439 1 1250 . 1 1 110 110 VAL CG2 C 13 21.583 0 . 2 . . . . . . . . 6439 1 1251 . 1 1 110 110 VAL H H 1 8.359 0 . 1 . . . . . . . . 6439 1 1252 . 1 1 110 110 VAL HA H 1 4.216 0 . 1 . . . . . . . . 6439 1 1253 . 1 1 110 110 VAL HB H 1 1.847 0 . 1 . . . . . . . . 6439 1 1254 . 1 1 110 110 VAL HG11 H 1 0.851 0 . 2 . . . . . . . . 6439 1 1255 . 1 1 110 110 VAL HG12 H 1 0.851 0 . 2 . . . . . . . . 6439 1 1256 . 1 1 110 110 VAL HG13 H 1 0.851 0 . 2 . . . . . . . . 6439 1 1257 . 1 1 110 110 VAL HG21 H 1 0.838 0 . 2 . . . . . . . . 6439 1 1258 . 1 1 110 110 VAL HG22 H 1 0.838 0 . 2 . . . . . . . . 6439 1 1259 . 1 1 110 110 VAL HG23 H 1 0.838 0 . 2 . . . . . . . . 6439 1 1260 . 1 1 110 110 VAL N N 15 122.26 0 . 1 . . . . . . . . 6439 1 1261 . 1 1 111 111 GLY C C 13 171.508 0 . 1 . . . . . . . . 6439 1 1262 . 1 1 111 111 GLY CA C 13 45.883 0 . 1 . . . . . . . . 6439 1 1263 . 1 1 111 111 GLY H H 1 8.845 0 . 1 . . . . . . . . 6439 1 1264 . 1 1 111 111 GLY HA2 H 1 4.582 0 . 2 . . . . . . . . 6439 1 1265 . 1 1 111 111 GLY HA3 H 1 3.49 0 . 2 . . . . . . . . 6439 1 1266 . 1 1 111 111 GLY N N 15 118.018 0 . 1 . . . . . . . . 6439 1 1267 . 1 1 112 112 GLN C C 13 175.741 0 . 1 . . . . . . . . 6439 1 1268 . 1 1 112 112 GLN CA C 13 53.784 0 . 1 . . . . . . . . 6439 1 1269 . 1 1 112 112 GLN CB C 13 31.035 0 . 1 . . . . . . . . 6439 1 1270 . 1 1 112 112 GLN CG C 13 33.669 0 . 1 . . . . . . . . 6439 1 1271 . 1 1 112 112 GLN H H 1 8.402 0 . 1 . . . . . . . . 6439 1 1272 . 1 1 112 112 GLN HA H 1 4.316 0 . 1 . . . . . . . . 6439 1 1273 . 1 1 112 112 GLN HB2 H 1 1.643 0 . 2 . . . . . . . . 6439 1 1274 . 1 1 112 112 GLN HB3 H 1 2.072 0 . 2 . . . . . . . . 6439 1 1275 . 1 1 112 112 GLN HG2 H 1 2.246 0 . 1 . . . . . . . . 6439 1 1276 . 1 1 112 112 GLN HG3 H 1 2.246 0 . 1 . . . . . . . . 6439 1 1277 . 1 1 112 112 GLN N N 15 119.458 0 . 1 . . . . . . . . 6439 1 1278 . 1 1 113 113 ASP C C 13 176.238 0 . 1 . . . . . . . . 6439 1 1279 . 1 1 113 113 ASP CA C 13 53.874 0 . 1 . . . . . . . . 6439 1 1280 . 1 1 113 113 ASP CB C 13 41.407 0 . 1 . . . . . . . . 6439 1 1281 . 1 1 113 113 ASP H H 1 8.546 0 . 1 . . . . . . . . 6439 1 1282 . 1 1 113 113 ASP HA H 1 4.631 0 . 1 . . . . . . . . 6439 1 1283 . 1 1 113 113 ASP HB2 H 1 2.441 0 . 2 . . . . . . . . 6439 1 1284 . 1 1 113 113 ASP HB3 H 1 2.632 0 . 2 . . . . . . . . 6439 1 1285 . 1 1 113 113 ASP N N 15 122.882 0 . 1 . . . . . . . . 6439 1 1286 . 1 1 114 114 VAL C C 13 176.455 0 . 1 . . . . . . . . 6439 1 1287 . 1 1 114 114 VAL CA C 13 62.033 0 . 1 . . . . . . . . 6439 1 1288 . 1 1 114 114 VAL CB C 13 32.507 0 . 1 . . . . . . . . 6439 1 1289 . 1 1 114 114 VAL CG1 C 13 19.808 0 . 2 . . . . . . . . 6439 1 1290 . 1 1 114 114 VAL CG2 C 13 21.187 0 . 2 . . . . . . . . 6439 1 1291 . 1 1 114 114 VAL H H 1 8.238 0 . 1 . . . . . . . . 6439 1 1292 . 1 1 114 114 VAL HA H 1 4.254 0 . 1 . . . . . . . . 6439 1 1293 . 1 1 114 114 VAL HB H 1 2.146 0 . 1 . . . . . . . . 6439 1 1294 . 1 1 114 114 VAL HG11 H 1 0.871 0 . 1 . . . . . . . . 6439 1 1295 . 1 1 114 114 VAL HG12 H 1 0.871 0 . 1 . . . . . . . . 6439 1 1296 . 1 1 114 114 VAL HG13 H 1 0.871 0 . 1 . . . . . . . . 6439 1 1297 . 1 1 114 114 VAL HG21 H 1 0.871 0 . 1 . . . . . . . . 6439 1 1298 . 1 1 114 114 VAL HG22 H 1 0.871 0 . 1 . . . . . . . . 6439 1 1299 . 1 1 114 114 VAL HG23 H 1 0.871 0 . 1 . . . . . . . . 6439 1 1300 . 1 1 114 114 VAL N N 15 121.272 0 . 1 . . . . . . . . 6439 1 1301 . 1 1 115 115 THR C C 13 175.288 0 . 1 . . . . . . . . 6439 1 1302 . 1 1 115 115 THR CA C 13 62.645 0 . 1 . . . . . . . . 6439 1 1303 . 1 1 115 115 THR CB C 13 69.865 0 . 1 . . . . . . . . 6439 1 1304 . 1 1 115 115 THR CG2 C 13 21.623 0 . 1 . . . . . . . . 6439 1 1305 . 1 1 115 115 THR H H 1 8.269 0 . 1 . . . . . . . . 6439 1 1306 . 1 1 115 115 THR HA H 1 4.274 0 . 1 . . . . . . . . 6439 1 1307 . 1 1 115 115 THR HB H 1 4.153 0 . 1 . . . . . . . . 6439 1 1308 . 1 1 115 115 THR HG21 H 1 1.177 0 . 1 . . . . . . . . 6439 1 1309 . 1 1 115 115 THR HG22 H 1 1.177 0 . 1 . . . . . . . . 6439 1 1310 . 1 1 115 115 THR HG23 H 1 1.177 0 . 1 . . . . . . . . 6439 1 1311 . 1 1 115 115 THR N N 15 117.79 0 . 1 . . . . . . . . 6439 1 1312 . 1 1 116 116 GLY C C 13 173.313 0 . 1 . . . . . . . . 6439 1 1313 . 1 1 116 116 GLY CA C 13 45.529 0 . 1 . . . . . . . . 6439 1 1314 . 1 1 116 116 GLY H H 1 8.361 0 . 1 . . . . . . . . 6439 1 1315 . 1 1 116 116 GLY HA2 H 1 3.897 0 . 1 . . . . . . . . 6439 1 1316 . 1 1 116 116 GLY HA3 H 1 3.897 0 . 1 . . . . . . . . 6439 1 1317 . 1 1 116 116 GLY N N 15 112.256 0 . 1 . . . . . . . . 6439 1 1318 . 1 1 117 117 GLN C C 13 180.63 0 . 1 . . . . . . . . 6439 1 1319 . 1 1 117 117 GLN CA C 13 57.152 0 . 1 . . . . . . . . 6439 1 1320 . 1 1 117 117 GLN CB C 13 30.348 0 . 1 . . . . . . . . 6439 1 1321 . 1 1 117 117 GLN H H 1 7.764 0 . 1 . . . . . . . . 6439 1 1322 . 1 1 117 117 GLN HA H 1 4.104 0 . 1 . . . . . . . . 6439 1 1323 . 1 1 117 117 GLN HB2 H 1 1.841 0 . 1 . . . . . . . . 6439 1 1324 . 1 1 117 117 GLN HB3 H 1 1.842 0 . 1 . . . . . . . . 6439 1 1325 . 1 1 117 117 GLN HG2 H 1 2.178 0 . 1 . . . . . . . . 6439 1 1326 . 1 1 117 117 GLN HG3 H 1 2.178 0 . 1 . . . . . . . . 6439 1 1327 . 1 1 117 117 GLN N N 15 125.376 0 . 1 . . . . . . . . 6439 1 stop_ save_