data_6314 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6314 _Entry.Title ; NMR assignment for cold-shock protein ribosome-binding factor A (RbfA) from Thermotoga maritima ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-09-07 _Entry.Accession_date 2004-09-07 _Entry.Last_release_date 2005-02-08 _Entry.Original_release_date 2005-02-08 _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 S. Grimm . Kaspar . 6314 2 Jens Wohnert . . . 6314 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6314 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 642 6314 '13C chemical shifts' 380 6314 '15N chemical shifts' 110 6314 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 . . 2005-02-08 2004-09-07 original author . 6314 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6314 _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: NMR assignments of the cold-shock protein ribosome-binding factor A (RbfA) from Thermotoga maritima ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 1 _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 73 _Citation.Page_last 74 _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 S. Grimm . Kaspar . 6314 1 2 Jens Wohnert . . . 6314 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID RbfA 6314 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RbfA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RbfA _Assembly.Entry_ID 6314 _Assembly.ID 1 _Assembly.Name RbfA _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6314 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 RbfA 1 $RbfA . . . native . . . . . 6314 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID RbfA system 6314 1 RbfA abbreviation 6314 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cold shock protein' 6314 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RbfA _Entity.Sf_category entity _Entity.Sf_framecode RbfA _Entity.Entry_ID 6314 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Ribosome binding factor A' _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 ; MNPAYRKAMLESEIQKLLME ALQQLRDPRLKKDFVTFSRV ELSKDKRYADVYVSFLGTPE ERKETVEILNRAKGFFRTFI AKNLRLYVAPEIRFYEDKGI EASVKVHQLLVQLGYDPLKD ; _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14133 _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 PDB 2KZF . "Solution Nmr Structure Of The Thermotoga Maritima Protein Tm0855 A Putative Ribosome Binding Factor A" . . . . . 87.50 106 100.00 100.00 9.89e-68 . . . . 6314 1 2 no GB AAD35937 . "ribosome binding factor A [Thermotoga maritima MSB8]" . . . . . 100.00 131 100.00 100.00 4.73e-80 . . . . 6314 1 3 no GB ABQ46101 . "ribosome-binding factor A [Thermotoga petrophila RKU-1]" . . . . . 100.00 131 99.17 100.00 1.25e-79 . . . . 6314 1 4 no GB ACB08434 . "ribosome-binding factor A [Thermotoga sp. RQ2]" . . . . . 100.00 131 100.00 100.00 3.85e-80 . . . . 6314 1 5 no GB ADA66180 . "ribosome-binding factor A [Thermotoga naphthophila RKU-10]" . . . . . 100.00 131 99.17 100.00 1.25e-79 . . . . 6314 1 6 no GB AGL49782 . "Ribosome-binding factor A [Thermotoga maritima MSB8]" . . . . . 100.00 131 100.00 100.00 4.73e-80 . . . . 6314 1 7 no REF NP_228664 . "ribosome binding factor A [Thermotoga maritima MSB8]" . . . . . 100.00 131 100.00 100.00 4.73e-80 . . . . 6314 1 8 no REF WP_004080768 . "MULTISPECIES: ribosome-binding factor A [Thermotoga]" . . . . . 100.00 131 100.00 100.00 4.73e-80 . . . . 6314 1 9 no REF WP_011942775 . "MULTISPECIES: ribosome-binding factor A [Thermotoga]" . . . . . 100.00 131 99.17 100.00 1.25e-79 . . . . 6314 1 10 no REF WP_012310302 . "ribosome-binding factor A [Thermotoga sp. RQ2]" . . . . . 100.00 131 100.00 100.00 3.85e-80 . . . . 6314 1 11 no REF WP_038053978 . "ribosome-binding factor A [Thermotoga sp. Mc24]" . . . . . 100.00 131 99.17 99.17 3.30e-79 . . . . 6314 1 12 no SP A5IIS8 . "RecName: Full=Ribosome-binding factor A [Thermotoga petrophila RKU-1]" . . . . . 100.00 131 99.17 100.00 1.25e-79 . . . . 6314 1 13 no SP B1LCH6 . "RecName: Full=Ribosome-binding factor A [Thermotoga sp. RQ2]" . . . . . 100.00 131 100.00 100.00 3.85e-80 . . . . 6314 1 14 no SP Q9WZV9 . "RecName: Full=Ribosome-binding factor A [Thermotoga maritima MSB8]" . . . . . 100.00 131 100.00 100.00 4.73e-80 . . . . 6314 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Ribosome binding factor A' common 6314 1 RbfA abbreviation 6314 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6314 1 2 . ASN . 6314 1 3 . PRO . 6314 1 4 . ALA . 6314 1 5 . TYR . 6314 1 6 . ARG . 6314 1 7 . LYS . 6314 1 8 . ALA . 6314 1 9 . MET . 6314 1 10 . LEU . 6314 1 11 . GLU . 6314 1 12 . SER . 6314 1 13 . GLU . 6314 1 14 . ILE . 6314 1 15 . GLN . 6314 1 16 . LYS . 6314 1 17 . LEU . 6314 1 18 . LEU . 6314 1 19 . MET . 6314 1 20 . GLU . 6314 1 21 . ALA . 6314 1 22 . LEU . 6314 1 23 . GLN . 6314 1 24 . GLN . 6314 1 25 . LEU . 6314 1 26 . ARG . 6314 1 27 . ASP . 6314 1 28 . PRO . 6314 1 29 . ARG . 6314 1 30 . LEU . 6314 1 31 . LYS . 6314 1 32 . LYS . 6314 1 33 . ASP . 6314 1 34 . PHE . 6314 1 35 . VAL . 6314 1 36 . THR . 6314 1 37 . PHE . 6314 1 38 . SER . 6314 1 39 . ARG . 6314 1 40 . VAL . 6314 1 41 . GLU . 6314 1 42 . LEU . 6314 1 43 . SER . 6314 1 44 . LYS . 6314 1 45 . ASP . 6314 1 46 . LYS . 6314 1 47 . ARG . 6314 1 48 . TYR . 6314 1 49 . ALA . 6314 1 50 . ASP . 6314 1 51 . VAL . 6314 1 52 . TYR . 6314 1 53 . VAL . 6314 1 54 . SER . 6314 1 55 . PHE . 6314 1 56 . LEU . 6314 1 57 . GLY . 6314 1 58 . THR . 6314 1 59 . PRO . 6314 1 60 . GLU . 6314 1 61 . GLU . 6314 1 62 . ARG . 6314 1 63 . LYS . 6314 1 64 . GLU . 6314 1 65 . THR . 6314 1 66 . VAL . 6314 1 67 . GLU . 6314 1 68 . ILE . 6314 1 69 . LEU . 6314 1 70 . ASN . 6314 1 71 . ARG . 6314 1 72 . ALA . 6314 1 73 . LYS . 6314 1 74 . GLY . 6314 1 75 . PHE . 6314 1 76 . PHE . 6314 1 77 . ARG . 6314 1 78 . THR . 6314 1 79 . PHE . 6314 1 80 . ILE . 6314 1 81 . ALA . 6314 1 82 . LYS . 6314 1 83 . ASN . 6314 1 84 . LEU . 6314 1 85 . ARG . 6314 1 86 . LEU . 6314 1 87 . TYR . 6314 1 88 . VAL . 6314 1 89 . ALA . 6314 1 90 . PRO . 6314 1 91 . GLU . 6314 1 92 . ILE . 6314 1 93 . ARG . 6314 1 94 . PHE . 6314 1 95 . TYR . 6314 1 96 . GLU . 6314 1 97 . ASP . 6314 1 98 . LYS . 6314 1 99 . GLY . 6314 1 100 . ILE . 6314 1 101 . GLU . 6314 1 102 . ALA . 6314 1 103 . SER . 6314 1 104 . VAL . 6314 1 105 . LYS . 6314 1 106 . VAL . 6314 1 107 . HIS . 6314 1 108 . GLN . 6314 1 109 . LEU . 6314 1 110 . LEU . 6314 1 111 . VAL . 6314 1 112 . GLN . 6314 1 113 . LEU . 6314 1 114 . GLY . 6314 1 115 . TYR . 6314 1 116 . ASP . 6314 1 117 . PRO . 6314 1 118 . LEU . 6314 1 119 . LYS . 6314 1 120 . ASP . 6314 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6314 1 . ASN 2 2 6314 1 . PRO 3 3 6314 1 . ALA 4 4 6314 1 . TYR 5 5 6314 1 . ARG 6 6 6314 1 . LYS 7 7 6314 1 . ALA 8 8 6314 1 . MET 9 9 6314 1 . LEU 10 10 6314 1 . GLU 11 11 6314 1 . SER 12 12 6314 1 . GLU 13 13 6314 1 . ILE 14 14 6314 1 . GLN 15 15 6314 1 . LYS 16 16 6314 1 . LEU 17 17 6314 1 . LEU 18 18 6314 1 . MET 19 19 6314 1 . GLU 20 20 6314 1 . ALA 21 21 6314 1 . LEU 22 22 6314 1 . GLN 23 23 6314 1 . GLN 24 24 6314 1 . LEU 25 25 6314 1 . ARG 26 26 6314 1 . ASP 27 27 6314 1 . PRO 28 28 6314 1 . ARG 29 29 6314 1 . LEU 30 30 6314 1 . LYS 31 31 6314 1 . LYS 32 32 6314 1 . ASP 33 33 6314 1 . PHE 34 34 6314 1 . VAL 35 35 6314 1 . THR 36 36 6314 1 . PHE 37 37 6314 1 . SER 38 38 6314 1 . ARG 39 39 6314 1 . VAL 40 40 6314 1 . GLU 41 41 6314 1 . LEU 42 42 6314 1 . SER 43 43 6314 1 . LYS 44 44 6314 1 . ASP 45 45 6314 1 . LYS 46 46 6314 1 . ARG 47 47 6314 1 . TYR 48 48 6314 1 . ALA 49 49 6314 1 . ASP 50 50 6314 1 . VAL 51 51 6314 1 . TYR 52 52 6314 1 . VAL 53 53 6314 1 . SER 54 54 6314 1 . PHE 55 55 6314 1 . LEU 56 56 6314 1 . GLY 57 57 6314 1 . THR 58 58 6314 1 . PRO 59 59 6314 1 . GLU 60 60 6314 1 . GLU 61 61 6314 1 . ARG 62 62 6314 1 . LYS 63 63 6314 1 . GLU 64 64 6314 1 . THR 65 65 6314 1 . VAL 66 66 6314 1 . GLU 67 67 6314 1 . ILE 68 68 6314 1 . LEU 69 69 6314 1 . ASN 70 70 6314 1 . ARG 71 71 6314 1 . ALA 72 72 6314 1 . LYS 73 73 6314 1 . GLY 74 74 6314 1 . PHE 75 75 6314 1 . PHE 76 76 6314 1 . ARG 77 77 6314 1 . THR 78 78 6314 1 . PHE 79 79 6314 1 . ILE 80 80 6314 1 . ALA 81 81 6314 1 . LYS 82 82 6314 1 . ASN 83 83 6314 1 . LEU 84 84 6314 1 . ARG 85 85 6314 1 . LEU 86 86 6314 1 . TYR 87 87 6314 1 . VAL 88 88 6314 1 . ALA 89 89 6314 1 . PRO 90 90 6314 1 . GLU 91 91 6314 1 . ILE 92 92 6314 1 . ARG 93 93 6314 1 . PHE 94 94 6314 1 . TYR 95 95 6314 1 . GLU 96 96 6314 1 . ASP 97 97 6314 1 . LYS 98 98 6314 1 . GLY 99 99 6314 1 . ILE 100 100 6314 1 . GLU 101 101 6314 1 . ALA 102 102 6314 1 . SER 103 103 6314 1 . VAL 104 104 6314 1 . LYS 105 105 6314 1 . VAL 106 106 6314 1 . HIS 107 107 6314 1 . GLN 108 108 6314 1 . LEU 109 109 6314 1 . LEU 110 110 6314 1 . VAL 111 111 6314 1 . GLN 112 112 6314 1 . LEU 113 113 6314 1 . GLY 114 114 6314 1 . TYR 115 115 6314 1 . ASP 116 116 6314 1 . PRO 117 117 6314 1 . LEU 118 118 6314 1 . LYS 119 119 6314 1 . ASP 120 120 6314 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 6314 _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 $RbfA . 2336 . . 'Thermotoga maritima' 'Thermotoga maritima' . . Eubacteria . Thermotoga maritima . . . . . . . . . . . . . . . . . . . . . 6314 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 6314 _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 $RbfA . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . . . . pUC19 . . . . . . 6314 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6314 _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 'Ribosome binding factor A' . . . 1 $RbfA . . 1.0 0.8 1.2 mM . . . . 6314 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6314 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.5 0.1 na 6314 1 temperature 316 1.5 K 6314 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6314 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'With cryo.' _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6314 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'With cryo.' _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6314 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6314 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 BRUKER DRX . 600 'With cryo.' . . 6314 1 2 NMR_spectrometer_2 BRUKER DRX . 800 'With cryo.' . . 6314 1 3 NMR_spectrometer_3 BRUKER DRX . 700 . . . 6314 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 6314 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6314 1 2 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6314 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6314 1 4 HNCACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6314 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6314 1 6 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6314 1 7 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6314 1 8 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6314 1 9 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6314 1 10 CC(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6314 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 6314 _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 6314 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6314 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _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 6314 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACO _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 6314 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 6314 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6314 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HBHA(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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6314 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 6314 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ 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 6314 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name CC(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_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6314 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 6314 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6314 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6314 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_RbfA_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode RbfA_set_1 _Assigned_chem_shift_list.Entry_ID 6314 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N HSQC' 1 $sample_1 . 6314 1 2 '1H-13C HSQC' 1 $sample_1 . 6314 1 3 HNCA 1 $sample_1 . 6314 1 4 HNCACO 1 $sample_1 . 6314 1 5 HNCO 1 $sample_1 . 6314 1 6 HNCACB 1 $sample_1 . 6314 1 7 HBHA(CO)NH 1 $sample_1 . 6314 1 8 HCCH-TOCSY 1 $sample_1 . 6314 1 9 HCCH-COSY 1 $sample_1 . 6314 1 10 CC(CO)NH 1 $sample_1 . 6314 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PRO CA C 13 62.341 0.2 . 1 . . . . . . . . 6314 1 2 . 1 1 3 3 PRO HA H 1 4.380 0.05 . 1 . . . . . . . . 6314 1 3 . 1 1 3 3 PRO C C 13 175.389 0.2 . 1 . . . . . . . . 6314 1 4 . 1 1 3 3 PRO HB2 H 1 2.354 0.05 . 1 . . . . . . . . 6314 1 5 . 1 1 3 3 PRO HB3 H 1 1.952 0.05 . 1 . . . . . . . . 6314 1 6 . 1 1 4 4 ALA H H 1 8.217 0.05 . 1 . . . . . . . . 6314 1 7 . 1 1 4 4 ALA N N 15 121.992 0.1 . 1 . . . . . . . . 6314 1 8 . 1 1 4 4 ALA CA C 13 51.631 0.2 . 1 . . . . . . . . 6314 1 9 . 1 1 4 4 ALA HA H 1 4.280 0.05 . 1 . . . . . . . . 6314 1 10 . 1 1 4 4 ALA C C 13 176.658 0.2 . 1 . . . . . . . . 6314 1 11 . 1 1 4 4 ALA CB C 13 16.652 0.2 . 1 . . . . . . . . 6314 1 12 . 1 1 4 4 ALA HB1 H 1 1.396 0.05 . 1 . . . . . . . . 6314 1 13 . 1 1 4 4 ALA HB2 H 1 1.396 0.05 . 1 . . . . . . . . 6314 1 14 . 1 1 4 4 ALA HB3 H 1 1.396 0.05 . 1 . . . . . . . . 6314 1 15 . 1 1 5 5 TYR H H 1 7.869 0.05 . 1 . . . . . . . . 6314 1 16 . 1 1 5 5 TYR N N 15 118.996 0.1 . 1 . . . . . . . . 6314 1 17 . 1 1 5 5 TYR CA C 13 56.599 0.2 . 1 . . . . . . . . 6314 1 18 . 1 1 5 5 TYR HA H 1 4.551 0.05 . 1 . . . . . . . . 6314 1 19 . 1 1 5 5 TYR C C 13 174.578 0.2 . 1 . . . . . . . . 6314 1 20 . 1 1 5 5 TYR CB C 13 36.460 0.2 . 1 . . . . . . . . 6314 1 21 . 1 1 5 5 TYR HB2 H 1 3.156 0.05 . 1 . . . . . . . . 6314 1 22 . 1 1 5 5 TYR HB3 H 1 3.083 0.05 . 1 . . . . . . . . 6314 1 23 . 1 1 6 6 ARG H H 1 7.963 0.05 . 1 . . . . . . . . 6314 1 24 . 1 1 6 6 ARG N N 15 121.153 0.1 . 1 . . . . . . . . 6314 1 25 . 1 1 6 6 ARG CA C 13 55.473 0.2 . 1 . . . . . . . . 6314 1 26 . 1 1 6 6 ARG CB C 13 28.378 0.2 . 1 . . . . . . . . 6314 1 27 . 1 1 7 7 LYS H H 1 8.104 0.05 . 1 . . . . . . . . 6314 1 28 . 1 1 7 7 LYS N N 15 121.998 0.1 . 1 . . . . . . . . 6314 1 29 . 1 1 7 7 LYS CA C 13 57.468 0.2 . 1 . . . . . . . . 6314 1 30 . 1 1 7 7 LYS HA H 1 4.000 0.05 . 1 . . . . . . . . 6314 1 31 . 1 1 7 7 LYS C C 13 174.871 0.2 . 1 . . . . . . . . 6314 1 32 . 1 1 7 7 LYS CB C 13 31.226 0.2 . 1 . . . . . . . . 6314 1 33 . 1 1 7 7 LYS HB2 H 1 1.887 0.05 . 2 . . . . . . . . 6314 1 34 . 1 1 7 7 LYS HG2 H 1 1.422 0.05 . 2 . . . . . . . . 6314 1 35 . 1 1 8 8 ALA H H 1 8.037 0.05 . 1 . . . . . . . . 6314 1 36 . 1 1 8 8 ALA N N 15 120.847 0.1 . 1 . . . . . . . . 6314 1 37 . 1 1 8 8 ALA CA C 13 52.076 0.2 . 1 . . . . . . . . 6314 1 38 . 1 1 8 8 ALA HA H 1 4.493 0.05 . 1 . . . . . . . . 6314 1 39 . 1 1 8 8 ALA C C 13 178.127 0.2 . 1 . . . . . . . . 6314 1 40 . 1 1 8 8 ALA CB C 13 16.453 0.2 . 1 . . . . . . . . 6314 1 41 . 1 1 8 8 ALA HB1 H 1 1.496 0.05 . 1 . . . . . . . . 6314 1 42 . 1 1 8 8 ALA HB2 H 1 1.496 0.05 . 1 . . . . . . . . 6314 1 43 . 1 1 8 8 ALA HB3 H 1 1.496 0.05 . 1 . . . . . . . . 6314 1 44 . 1 1 9 9 MET H H 1 7.981 0.05 . 1 . . . . . . . . 6314 1 45 . 1 1 9 9 MET N N 15 118.483 0.1 . 1 . . . . . . . . 6314 1 46 . 1 1 9 9 MET CA C 13 55.804 0.2 . 1 . . . . . . . . 6314 1 47 . 1 1 9 9 MET HA H 1 4.185 0.05 . 1 . . . . . . . . 6314 1 48 . 1 1 9 9 MET C C 13 175.224 0.2 . 1 . . . . . . . . 6314 1 49 . 1 1 9 9 MET CB C 13 30.431 0.2 . 1 . . . . . . . . 6314 1 50 . 1 1 9 9 MET HB2 H 1 1.938 0.05 . 1 . . . . . . . . 6314 1 51 . 1 1 9 9 MET HB3 H 1 1.852 0.05 . 1 . . . . . . . . 6314 1 52 . 1 1 9 9 MET HG2 H 1 1.705 0.05 . 2 . . . . . . . . 6314 1 53 . 1 1 9 9 MET HE1 H 1 3.265 0.05 . 1 . . . . . . . . 6314 1 54 . 1 1 9 9 MET HE2 H 1 3.265 0.05 . 1 . . . . . . . . 6314 1 55 . 1 1 9 9 MET HE3 H 1 3.265 0.05 . 1 . . . . . . . . 6314 1 56 . 1 1 10 10 LEU H H 1 8.112 0.05 . 1 . . . . . . . . 6314 1 57 . 1 1 10 10 LEU N N 15 121.973 0.1 . 1 . . . . . . . . 6314 1 58 . 1 1 10 10 LEU CA C 13 56.003 0.2 . 1 . . . . . . . . 6314 1 59 . 1 1 10 10 LEU HA H 1 4.173 0.05 . 1 . . . . . . . . 6314 1 60 . 1 1 10 10 LEU C C 13 177.058 0.2 . 1 . . . . . . . . 6314 1 61 . 1 1 10 10 LEU CB C 13 40.104 0.2 . 1 . . . . . . . . 6314 1 62 . 1 1 10 10 LEU HB2 H 1 1.688 0.05 . 1 . . . . . . . . 6314 1 63 . 1 1 10 10 LEU HB3 H 1 1.596 0.05 . 1 . . . . . . . . 6314 1 64 . 1 1 10 10 LEU HD11 H 1 0.843 0.05 . 4 . . . . . . . . 6314 1 65 . 1 1 10 10 LEU HD12 H 1 0.843 0.05 . 4 . . . . . . . . 6314 1 66 . 1 1 10 10 LEU HD13 H 1 0.843 0.05 . 4 . . . . . . . . 6314 1 67 . 1 1 10 10 LEU HD21 H 1 0.809 0.05 . 4 . . . . . . . . 6314 1 68 . 1 1 10 10 LEU HD22 H 1 0.809 0.05 . 4 . . . . . . . . 6314 1 69 . 1 1 10 10 LEU HD23 H 1 0.809 0.05 . 4 . . . . . . . . 6314 1 70 . 1 1 11 11 GLU H H 1 8.815 0.05 . 1 . . . . . . . . 6314 1 71 . 1 1 11 11 GLU N N 15 118.778 0.1 . 1 . . . . . . . . 6314 1 72 . 1 1 11 11 GLU CA C 13 59.117 0.2 . 1 . . . . . . . . 6314 1 73 . 1 1 11 11 GLU HA H 1 3.628 0.05 . 1 . . . . . . . . 6314 1 74 . 1 1 11 11 GLU C C 13 176.493 0.2 . 1 . . . . . . . . 6314 1 75 . 1 1 11 11 GLU CB C 13 26.788 0.2 . 1 . . . . . . . . 6314 1 76 . 1 1 11 11 GLU HB2 H 1 2.341 0.05 . 1 . . . . . . . . 6314 1 77 . 1 1 11 11 GLU HB3 H 1 2.093 0.05 . 1 . . . . . . . . 6314 1 78 . 1 1 11 11 GLU HG2 H 1 2.491 0.05 . 1 . . . . . . . . 6314 1 79 . 1 1 11 11 GLU HG3 H 1 2.161 0.05 . 1 . . . . . . . . 6314 1 80 . 1 1 12 12 SER H H 1 7.877 0.05 . 1 . . . . . . . . 6314 1 81 . 1 1 12 12 SER N N 15 113.292 0.1 . 1 . . . . . . . . 6314 1 82 . 1 1 12 12 SER CA C 13 59.562 0.2 . 1 . . . . . . . . 6314 1 83 . 1 1 12 12 SER HA H 1 4.410 0.05 . 1 . . . . . . . . 6314 1 84 . 1 1 12 12 SER C C 13 175.212 0.2 . 1 . . . . . . . . 6314 1 85 . 1 1 12 12 SER CB C 13 61.237 0.2 . 1 . . . . . . . . 6314 1 86 . 1 1 12 12 SER HB2 H 1 4.113 0.05 . 2 . . . . . . . . 6314 1 87 . 1 1 13 13 GLU H H 1 8.188 0.05 . 1 . . . . . . . . 6314 1 88 . 1 1 13 13 GLU N N 15 122.234 0.1 . 1 . . . . . . . . 6314 1 89 . 1 1 13 13 GLU CA C 13 57.129 0.2 . 1 . . . . . . . . 6314 1 90 . 1 1 13 13 GLU HA H 1 4.235 0.05 . 1 . . . . . . . . 6314 1 91 . 1 1 13 13 GLU C C 13 177.152 0.2 . 1 . . . . . . . . 6314 1 92 . 1 1 13 13 GLU CB C 13 26.986 0.2 . 1 . . . . . . . . 6314 1 93 . 1 1 13 13 GLU HB2 H 1 2.292 0.05 . 1 . . . . . . . . 6314 1 94 . 1 1 13 13 GLU HB3 H 1 2.135 0.05 . 1 . . . . . . . . 6314 1 95 . 1 1 13 13 GLU CG C 13 33.868 0.2 . 1 . . . . . . . . 6314 1 96 . 1 1 13 13 GLU HG2 H 1 2.521 0.05 . 1 . . . . . . . . 6314 1 97 . 1 1 13 13 GLU HG3 H 1 2.440 0.05 . 1 . . . . . . . . 6314 1 98 . 1 1 14 14 ILE H H 1 8.668 0.05 . 1 . . . . . . . . 6314 1 99 . 1 1 14 14 ILE N N 15 118.674 0.1 . 1 . . . . . . . . 6314 1 100 . 1 1 14 14 ILE CA C 13 64.483 0.2 . 1 . . . . . . . . 6314 1 101 . 1 1 14 14 ILE HA H 1 3.598 0.05 . 1 . . . . . . . . 6314 1 102 . 1 1 14 14 ILE C C 13 174.777 0.2 . 1 . . . . . . . . 6314 1 103 . 1 1 14 14 ILE CB C 13 35.334 0.2 . 1 . . . . . . . . 6314 1 104 . 1 1 14 14 ILE HB H 1 1.970 0.05 . 1 . . . . . . . . 6314 1 105 . 1 1 14 14 ILE CG2 C 13 21.992 0.2 . 1 . . . . . . . . 6314 1 106 . 1 1 14 14 ILE CG1 C 13 28.301 0.2 . 1 . . . . . . . . 6314 1 107 . 1 1 14 14 ILE HD11 H 1 0.664 0.05 . 1 . . . . . . . . 6314 1 108 . 1 1 14 14 ILE HD12 H 1 0.664 0.05 . 1 . . . . . . . . 6314 1 109 . 1 1 14 14 ILE HD13 H 1 0.664 0.05 . 1 . . . . . . . . 6314 1 110 . 1 1 14 14 ILE HG21 H 1 0.693 0.05 . 1 . . . . . . . . 6314 1 111 . 1 1 14 14 ILE HG22 H 1 0.693 0.05 . 1 . . . . . . . . 6314 1 112 . 1 1 14 14 ILE HG23 H 1 0.693 0.05 . 1 . . . . . . . . 6314 1 113 . 1 1 14 14 ILE HG12 H 1 0.825 0.05 . 2 . . . . . . . . 6314 1 114 . 1 1 15 15 GLN H H 1 8.280 0.05 . 1 . . . . . . . . 6314 1 115 . 1 1 15 15 GLN N N 15 119.822 0.1 . 1 . . . . . . . . 6314 1 116 . 1 1 15 15 GLN CA C 13 59.240 0.2 . 1 . . . . . . . . 6314 1 117 . 1 1 15 15 GLN HA H 1 3.676 0.05 . 1 . . . . . . . . 6314 1 118 . 1 1 15 15 GLN C C 13 175.295 0.2 . 1 . . . . . . . . 6314 1 119 . 1 1 15 15 GLN CB C 13 26.531 0.2 . 1 . . . . . . . . 6314 1 120 . 1 1 15 15 GLN HB2 H 1 2.600 0.05 . 1 . . . . . . . . 6314 1 121 . 1 1 15 15 GLN HB3 H 1 2.167 0.05 . 1 . . . . . . . . 6314 1 122 . 1 1 15 15 GLN CG C 13 31.641 0.2 . 1 . . . . . . . . 6314 1 123 . 1 1 15 15 GLN HG2 H 1 2.471 0.05 . 1 . . . . . . . . 6314 1 124 . 1 1 15 15 GLN HG3 H 1 2.374 0.05 . 1 . . . . . . . . 6314 1 125 . 1 1 16 16 LYS H H 1 7.698 0.05 . 1 . . . . . . . . 6314 1 126 . 1 1 16 16 LYS N N 15 117.345 0.1 . 1 . . . . . . . . 6314 1 127 . 1 1 16 16 LYS CA C 13 57.739 0.2 . 1 . . . . . . . . 6314 1 128 . 1 1 16 16 LYS HA H 1 4.161 0.05 . 1 . . . . . . . . 6314 1 129 . 1 1 16 16 LYS C C 13 177.975 0.2 . 1 . . . . . . . . 6314 1 130 . 1 1 16 16 LYS CB C 13 30.630 0.2 . 1 . . . . . . . . 6314 1 131 . 1 1 16 16 LYS HB2 H 1 2.067 0.05 . 2 . . . . . . . . 6314 1 132 . 1 1 16 16 LYS CG C 13 22.734 0.2 . 1 . . . . . . . . 6314 1 133 . 1 1 16 16 LYS HG2 H 1 1.740 0.05 . 1 . . . . . . . . 6314 1 134 . 1 1 16 16 LYS HG3 H 1 1.534 0.05 . 1 . . . . . . . . 6314 1 135 . 1 1 16 16 LYS HD2 H 1 1.784 0.05 . 4 . . . . . . . . 6314 1 136 . 1 1 16 16 LYS HE2 H 1 3.049 0.05 . 4 . . . . . . . . 6314 1 137 . 1 1 17 17 LEU H H 1 8.361 0.05 . 1 . . . . . . . . 6314 1 138 . 1 1 17 17 LEU N N 15 119.895 0.1 . 1 . . . . . . . . 6314 1 139 . 1 1 17 17 LEU CA C 13 55.861 0.2 . 1 . . . . . . . . 6314 1 140 . 1 1 17 17 LEU HA H 1 4.360 0.05 . 1 . . . . . . . . 6314 1 141 . 1 1 17 17 LEU C C 13 177.528 0.2 . 1 . . . . . . . . 6314 1 142 . 1 1 17 17 LEU CB C 13 41.107 0.2 . 1 . . . . . . . . 6314 1 143 . 1 1 17 17 LEU HB2 H 1 2.164 0.05 . 1 . . . . . . . . 6314 1 144 . 1 1 17 17 LEU HB3 H 1 1.516 0.05 . 1 . . . . . . . . 6314 1 145 . 1 1 17 17 LEU CD1 C 13 21.435 0.2 . 1 . . . . . . . . 6314 1 146 . 1 1 17 17 LEU HD11 H 1 1.021 0.05 . 1 . . . . . . . . 6314 1 147 . 1 1 17 17 LEU HD12 H 1 1.021 0.05 . 1 . . . . . . . . 6314 1 148 . 1 1 17 17 LEU HD13 H 1 1.021 0.05 . 1 . . . . . . . . 6314 1 149 . 1 1 17 17 LEU HD21 H 1 0.969 0.05 . 1 . . . . . . . . 6314 1 150 . 1 1 17 17 LEU HD22 H 1 0.969 0.05 . 1 . . . . . . . . 6314 1 151 . 1 1 17 17 LEU HD23 H 1 0.969 0.05 . 1 . . . . . . . . 6314 1 152 . 1 1 18 18 LEU H H 1 8.901 0.05 . 1 . . . . . . . . 6314 1 153 . 1 1 18 18 LEU N N 15 119.118 0.1 . 1 . . . . . . . . 6314 1 154 . 1 1 18 18 LEU CA C 13 56.467 0.2 . 1 . . . . . . . . 6314 1 155 . 1 1 18 18 LEU HA H 1 4.065 0.05 . 1 . . . . . . . . 6314 1 156 . 1 1 18 18 LEU C C 13 177.234 0.2 . 1 . . . . . . . . 6314 1 157 . 1 1 18 18 LEU CB C 13 39.716 0.2 . 1 . . . . . . . . 6314 1 158 . 1 1 18 18 LEU HB2 H 1 1.857 0.05 . 1 . . . . . . . . 6314 1 159 . 1 1 18 18 LEU HB3 H 1 0.873 0.05 . 1 . . . . . . . . 6314 1 160 . 1 1 18 18 LEU HD11 H 1 0.639 0.05 . 1 . . . . . . . . 6314 1 161 . 1 1 18 18 LEU HD12 H 1 0.639 0.05 . 1 . . . . . . . . 6314 1 162 . 1 1 18 18 LEU HD13 H 1 0.639 0.05 . 1 . . . . . . . . 6314 1 163 . 1 1 18 18 LEU HD21 H 1 0.380 0.05 . 1 . . . . . . . . 6314 1 164 . 1 1 18 18 LEU HD22 H 1 0.380 0.05 . 1 . . . . . . . . 6314 1 165 . 1 1 18 18 LEU HD23 H 1 0.380 0.05 . 1 . . . . . . . . 6314 1 166 . 1 1 18 18 LEU HG H 1 1.936 0.05 . 1 . . . . . . . . 6314 1 167 . 1 1 19 19 MET H H 1 7.669 0.05 . 1 . . . . . . . . 6314 1 168 . 1 1 19 19 MET N N 15 116.956 0.1 . 1 . . . . . . . . 6314 1 169 . 1 1 19 19 MET CA C 13 56.136 0.2 . 1 . . . . . . . . 6314 1 170 . 1 1 19 19 MET HA H 1 4.594 0.05 . 1 . . . . . . . . 6314 1 171 . 1 1 19 19 MET C C 13 176.964 0.2 . 1 . . . . . . . . 6314 1 172 . 1 1 19 19 MET CB C 13 29.247 0.2 . 1 . . . . . . . . 6314 1 173 . 1 1 19 19 MET HB2 H 1 2.535 0.05 . 1 . . . . . . . . 6314 1 174 . 1 1 19 19 MET HB3 H 1 2.331 0.05 . 1 . . . . . . . . 6314 1 175 . 1 1 19 19 MET HG2 H 1 2.983 0.05 . 1 . . . . . . . . 6314 1 176 . 1 1 19 19 MET HG3 H 1 2.917 0.05 . 1 . . . . . . . . 6314 1 177 . 1 1 20 20 GLU H H 1 7.731 0.05 . 1 . . . . . . . . 6314 1 178 . 1 1 20 20 GLU N N 15 119.834 0.1 . 1 . . . . . . . . 6314 1 179 . 1 1 20 20 GLU CA C 13 57.256 0.2 . 1 . . . . . . . . 6314 1 180 . 1 1 20 20 GLU HA H 1 4.180 0.05 . 1 . . . . . . . . 6314 1 181 . 1 1 20 20 GLU C C 13 177.328 0.2 . 1 . . . . . . . . 6314 1 182 . 1 1 20 20 GLU CB C 13 26.986 0.2 . 1 . . . . . . . . 6314 1 183 . 1 1 20 20 GLU HB2 H 1 2.443 0.05 . 1 . . . . . . . . 6314 1 184 . 1 1 20 20 GLU HB3 H 1 2.304 0.05 . 1 . . . . . . . . 6314 1 185 . 1 1 20 20 GLU CG C 13 33.682 0.2 . 1 . . . . . . . . 6314 1 186 . 1 1 20 20 GLU HG2 H 1 2.643 0.05 . 1 . . . . . . . . 6314 1 187 . 1 1 20 20 GLU HG3 H 1 2.085 0.05 . 1 . . . . . . . . 6314 1 188 . 1 1 21 21 ALA H H 1 8.440 0.05 . 1 . . . . . . . . 6314 1 189 . 1 1 21 21 ALA N N 15 123.127 0.1 . 1 . . . . . . . . 6314 1 190 . 1 1 21 21 ALA CA C 13 53.083 0.2 . 1 . . . . . . . . 6314 1 191 . 1 1 21 21 ALA HA H 1 3.015 0.05 . 1 . . . . . . . . 6314 1 192 . 1 1 21 21 ALA C C 13 177.481 0.2 . 1 . . . . . . . . 6314 1 193 . 1 1 21 21 ALA CB C 13 16.055 0.2 . 1 . . . . . . . . 6314 1 194 . 1 1 21 21 ALA HB1 H 1 0.886 0.05 . 1 . . . . . . . . 6314 1 195 . 1 1 21 21 ALA HB2 H 1 0.886 0.05 . 1 . . . . . . . . 6314 1 196 . 1 1 21 21 ALA HB3 H 1 0.886 0.05 . 1 . . . . . . . . 6314 1 197 . 1 1 22 22 LEU H H 1 8.404 0.05 . 1 . . . . . . . . 6314 1 198 . 1 1 22 22 LEU N N 15 117.340 0.1 . 1 . . . . . . . . 6314 1 199 . 1 1 22 22 LEU CA C 13 56.015 0.2 . 1 . . . . . . . . 6314 1 200 . 1 1 22 22 LEU HA H 1 4.098 0.05 . 1 . . . . . . . . 6314 1 201 . 1 1 22 22 LEU C C 13 176.282 0.2 . 1 . . . . . . . . 6314 1 202 . 1 1 22 22 LEU CB C 13 40.309 0.2 . 1 . . . . . . . . 6314 1 203 . 1 1 22 22 LEU HB2 H 1 2.357 0.05 . 1 . . . . . . . . 6314 1 204 . 1 1 22 22 LEU HB3 H 1 2.033 0.05 . 1 . . . . . . . . 6314 1 205 . 1 1 22 22 LEU CG C 13 24.961 0.2 . 1 . . . . . . . . 6314 1 206 . 1 1 22 22 LEU CD1 C 13 22.920 0.2 . 1 . . . . . . . . 6314 1 207 . 1 1 22 22 LEU HD11 H 1 1.136 0.05 . 2 . . . . . . . . 6314 1 208 . 1 1 22 22 LEU HD12 H 1 1.136 0.05 . 2 . . . . . . . . 6314 1 209 . 1 1 22 22 LEU HD13 H 1 1.136 0.05 . 2 . . . . . . . . 6314 1 210 . 1 1 22 22 LEU CD2 C 13 24.033 0.2 . 1 . . . . . . . . 6314 1 211 . 1 1 22 22 LEU HD21 H 1 0.983 0.05 . 2 . . . . . . . . 6314 1 212 . 1 1 22 22 LEU HD22 H 1 0.983 0.05 . 2 . . . . . . . . 6314 1 213 . 1 1 22 22 LEU HD23 H 1 0.983 0.05 . 2 . . . . . . . . 6314 1 214 . 1 1 22 22 LEU HG H 1 1.752 0.05 . 1 . . . . . . . . 6314 1 215 . 1 1 23 23 GLN H H 1 7.343 0.05 . 1 . . . . . . . . 6314 1 216 . 1 1 23 23 GLN N N 15 112.793 0.1 . 1 . . . . . . . . 6314 1 217 . 1 1 23 23 GLN CA C 13 55.963 0.2 . 1 . . . . . . . . 6314 1 218 . 1 1 23 23 GLN HA H 1 3.953 0.05 . 1 . . . . . . . . 6314 1 219 . 1 1 23 23 GLN C C 13 175.530 0.2 . 1 . . . . . . . . 6314 1 220 . 1 1 23 23 GLN CB C 13 25.869 0.2 . 1 . . . . . . . . 6314 1 221 . 1 1 23 23 GLN HB2 H 1 2.344 0.05 . 1 . . . . . . . . 6314 1 222 . 1 1 23 23 GLN HB3 H 1 2.226 0.05 . 1 . . . . . . . . 6314 1 223 . 1 1 23 23 GLN CG C 13 31.270 0.2 . 1 . . . . . . . . 6314 1 224 . 1 1 23 23 GLN HG2 H 1 2.728 0.05 . 1 . . . . . . . . 6314 1 225 . 1 1 23 23 GLN HG3 H 1 2.630 0.05 . 1 . . . . . . . . 6314 1 226 . 1 1 24 24 GLN H H 1 7.534 0.05 . 1 . . . . . . . . 6314 1 227 . 1 1 24 24 GLN N N 15 114.908 0.1 . 1 . . . . . . . . 6314 1 228 . 1 1 24 24 GLN CA C 13 54.047 0.2 . 1 . . . . . . . . 6314 1 229 . 1 1 24 24 GLN HA H 1 4.227 0.05 . 1 . . . . . . . . 6314 1 230 . 1 1 24 24 GLN C C 13 174.002 0.2 . 1 . . . . . . . . 6314 1 231 . 1 1 24 24 GLN CB C 13 27.185 0.2 . 1 . . . . . . . . 6314 1 232 . 1 1 24 24 GLN HB2 H 1 2.418 0.05 . 1 . . . . . . . . 6314 1 233 . 1 1 24 24 GLN HB3 H 1 2.050 0.05 . 1 . . . . . . . . 6314 1 234 . 1 1 24 24 GLN CG C 13 31.827 0.2 . 1 . . . . . . . . 6314 1 235 . 1 1 24 24 GLN HG2 H 1 2.574 0.05 . 1 . . . . . . . . 6314 1 236 . 1 1 24 24 GLN HG3 H 1 2.479 0.05 . 1 . . . . . . . . 6314 1 237 . 1 1 25 25 LEU H H 1 7.246 0.05 . 1 . . . . . . . . 6314 1 238 . 1 1 25 25 LEU N N 15 121.421 0.1 . 1 . . . . . . . . 6314 1 239 . 1 1 25 25 LEU CA C 13 53.665 0.2 . 1 . . . . . . . . 6314 1 240 . 1 1 25 25 LEU HA H 1 3.662 0.05 . 1 . . . . . . . . 6314 1 241 . 1 1 25 25 LEU C C 13 174.531 0.2 . 1 . . . . . . . . 6314 1 242 . 1 1 25 25 LEU CB C 13 39.914 0.2 . 1 . . . . . . . . 6314 1 243 . 1 1 25 25 LEU HB2 H 1 1.626 0.05 . 1 . . . . . . . . 6314 1 244 . 1 1 25 25 LEU HB3 H 1 1.294 0.05 . 1 . . . . . . . . 6314 1 245 . 1 1 25 25 LEU CD1 C 13 22.920 0.2 . 1 . . . . . . . . 6314 1 246 . 1 1 25 25 LEU HD11 H 1 0.598 0.05 . 2 . . . . . . . . 6314 1 247 . 1 1 25 25 LEU HD12 H 1 0.598 0.05 . 2 . . . . . . . . 6314 1 248 . 1 1 25 25 LEU HD13 H 1 0.598 0.05 . 2 . . . . . . . . 6314 1 249 . 1 1 25 25 LEU CD2 C 13 21.621 0.2 . 1 . . . . . . . . 6314 1 250 . 1 1 25 25 LEU HD21 H 1 0.439 0.05 . 2 . . . . . . . . 6314 1 251 . 1 1 25 25 LEU HD22 H 1 0.439 0.05 . 2 . . . . . . . . 6314 1 252 . 1 1 25 25 LEU HD23 H 1 0.439 0.05 . 2 . . . . . . . . 6314 1 253 . 1 1 26 26 ARG H H 1 8.280 0.05 . 1 . . . . . . . . 6314 1 254 . 1 1 26 26 ARG N N 15 124.476 0.1 . 1 . . . . . . . . 6314 1 255 . 1 1 26 26 ARG CA C 13 53.287 0.2 . 1 . . . . . . . . 6314 1 256 . 1 1 26 26 ARG HA H 1 4.366 0.05 . 1 . . . . . . . . 6314 1 257 . 1 1 26 26 ARG C C 13 173.379 0.2 . 1 . . . . . . . . 6314 1 258 . 1 1 26 26 ARG CB C 13 27.384 0.2 . 1 . . . . . . . . 6314 1 259 . 1 1 26 26 ARG HB2 H 1 1.820 0.05 . 1 . . . . . . . . 6314 1 260 . 1 1 26 26 ARG HB3 H 1 1.675 0.05 . 1 . . . . . . . . 6314 1 261 . 1 1 27 27 ASP H H 1 7.619 0.05 . 1 . . . . . . . . 6314 1 262 . 1 1 27 27 ASP N N 15 122.425 0.1 . 1 . . . . . . . . 6314 1 263 . 1 1 27 27 ASP CA C 13 50.173 0.2 . 1 . . . . . . . . 6314 1 264 . 1 1 28 28 PRO CA C 13 62.209 0.2 . 1 . . . . . . . . 6314 1 265 . 1 1 28 28 PRO HA H 1 4.476 0.05 . 1 . . . . . . . . 6314 1 266 . 1 1 28 28 PRO C C 13 175.330 0.2 . 1 . . . . . . . . 6314 1 267 . 1 1 28 28 PRO CB C 13 30.157 0.2 . 1 . . . . . . . . 6314 1 268 . 1 1 28 28 PRO HB2 H 1 2.366 0.05 . 1 . . . . . . . . 6314 1 269 . 1 1 28 28 PRO HB3 H 1 2.025 0.05 . 1 . . . . . . . . 6314 1 270 . 1 1 29 29 ARG H H 1 8.551 0.05 . 1 . . . . . . . . 6314 1 271 . 1 1 29 29 ARG N N 15 116.992 0.1 . 1 . . . . . . . . 6314 1 272 . 1 1 29 29 ARG CA C 13 54.739 0.2 . 1 . . . . . . . . 6314 1 273 . 1 1 29 29 ARG HA H 1 4.177 0.05 . 1 . . . . . . . . 6314 1 274 . 1 1 29 29 ARG C C 13 174.824 0.2 . 1 . . . . . . . . 6314 1 275 . 1 1 29 29 ARG CB C 13 28.775 0.2 . 1 . . . . . . . . 6314 1 276 . 1 1 29 29 ARG HB2 H 1 1.839 0.05 . 1 . . . . . . . . 6314 1 277 . 1 1 29 29 ARG HB3 H 1 1.689 0.05 . 1 . . . . . . . . 6314 1 278 . 1 1 29 29 ARG HG2 H 1 1.654 0.05 . 2 . . . . . . . . 6314 1 279 . 1 1 29 29 ARG HD2 H 1 3.238 0.05 . 4 . . . . . . . . 6314 1 280 . 1 1 29 29 ARG HD3 H 1 3.159 0.05 . 4 . . . . . . . . 6314 1 281 . 1 1 30 30 LEU H H 1 7.469 0.05 . 1 . . . . . . . . 6314 1 282 . 1 1 30 30 LEU N N 15 118.723 0.1 . 1 . . . . . . . . 6314 1 283 . 1 1 30 30 LEU CA C 13 51.998 0.2 . 1 . . . . . . . . 6314 1 284 . 1 1 30 30 LEU HA H 1 4.383 0.05 . 1 . . . . . . . . 6314 1 285 . 1 1 30 30 LEU C C 13 174.260 0.2 . 1 . . . . . . . . 6314 1 286 . 1 1 30 30 LEU CB C 13 41.702 0.2 . 1 . . . . . . . . 6314 1 287 . 1 1 30 30 LEU HB2 H 1 1.675 0.05 . 1 . . . . . . . . 6314 1 288 . 1 1 30 30 LEU HB3 H 1 1.487 0.05 . 1 . . . . . . . . 6314 1 289 . 1 1 30 30 LEU CD2 C 13 24.219 0.2 . 1 . . . . . . . . 6314 1 290 . 1 1 30 30 LEU HG H 1 1.434 0.05 . 1 . . . . . . . . 6314 1 291 . 1 1 30 30 LEU HD11 H 1 0.867 0.05 . 2 . . . . . . . . 6314 1 292 . 1 1 30 30 LEU HD12 H 1 0.867 0.05 . 2 . . . . . . . . 6314 1 293 . 1 1 30 30 LEU HD13 H 1 0.867 0.05 . 2 . . . . . . . . 6314 1 294 . 1 1 31 31 LYS H H 1 8.994 0.05 . 1 . . . . . . . . 6314 1 295 . 1 1 31 31 LYS N N 15 128.537 0.1 . 1 . . . . . . . . 6314 1 296 . 1 1 31 31 LYS CA C 13 52.818 0.2 . 1 . . . . . . . . 6314 1 297 . 1 1 31 31 LYS HA H 1 4.562 0.05 . 1 . . . . . . . . 6314 1 298 . 1 1 31 31 LYS C C 13 175.036 0.2 . 1 . . . . . . . . 6314 1 299 . 1 1 31 31 LYS CB C 13 28.444 0.2 . 1 . . . . . . . . 6314 1 300 . 1 1 31 31 LYS HB2 H 1 2.027 0.05 . 1 . . . . . . . . 6314 1 301 . 1 1 31 31 LYS HB3 H 1 1.797 0.05 . 1 . . . . . . . . 6314 1 302 . 1 1 31 31 LYS HG2 H 1 1.373 0.05 . 4 . . . . . . . . 6314 1 303 . 1 1 31 31 LYS HD2 H 1 1.549 0.05 . 4 . . . . . . . . 6314 1 304 . 1 1 32 32 LYS H H 1 7.837 0.05 . 1 . . . . . . . . 6314 1 305 . 1 1 32 32 LYS N N 15 120.518 0.1 . 1 . . . . . . . . 6314 1 306 . 1 1 32 32 LYS CA C 13 58.702 0.2 . 1 . . . . . . . . 6314 1 307 . 1 1 32 32 LYS HA H 1 3.668 0.05 . 1 . . . . . . . . 6314 1 308 . 1 1 32 32 LYS C C 13 175.424 0.2 . 1 . . . . . . . . 6314 1 309 . 1 1 32 32 LYS CB C 13 30.763 0.2 . 1 . . . . . . . . 6314 1 310 . 1 1 32 32 LYS HB2 H 1 1.832 0.05 . 1 . . . . . . . . 6314 1 311 . 1 1 32 32 LYS HB3 H 1 1.778 0.05 . 1 . . . . . . . . 6314 1 312 . 1 1 32 32 LYS HG2 H 1 1.272 0.05 . 4 . . . . . . . . 6314 1 313 . 1 1 32 32 LYS HD2 H 1 1.528 0.05 . 4 . . . . . . . . 6314 1 314 . 1 1 33 33 ASP H H 1 8.567 0.05 . 1 . . . . . . . . 6314 1 315 . 1 1 33 33 ASP N N 15 115.001 0.1 . 1 . . . . . . . . 6314 1 316 . 1 1 33 33 ASP CA C 13 53.752 0.2 . 1 . . . . . . . . 6314 1 317 . 1 1 33 33 ASP HA H 1 4.352 0.05 . 1 . . . . . . . . 6314 1 318 . 1 1 33 33 ASP C C 13 174.178 0.2 . 1 . . . . . . . . 6314 1 319 . 1 1 33 33 ASP CB C 13 37.189 0.2 . 1 . . . . . . . . 6314 1 320 . 1 1 33 33 ASP HB2 H 1 2.481 0.05 . 1 . . . . . . . . 6314 1 321 . 1 1 33 33 ASP HB3 H 1 2.095 0.05 . 1 . . . . . . . . 6314 1 322 . 1 1 34 34 PHE H H 1 7.572 0.05 . 1 . . . . . . . . 6314 1 323 . 1 1 34 34 PHE N N 15 115.970 0.1 . 1 . . . . . . . . 6314 1 324 . 1 1 34 34 PHE CA C 13 53.344 0.2 . 1 . . . . . . . . 6314 1 325 . 1 1 34 34 PHE HA H 1 4.630 0.05 . 1 . . . . . . . . 6314 1 326 . 1 1 34 34 PHE C C 13 172.991 0.2 . 1 . . . . . . . . 6314 1 327 . 1 1 34 34 PHE CB C 13 37.122 0.2 . 1 . . . . . . . . 6314 1 328 . 1 1 34 34 PHE HB2 H 1 2.713 0.05 . 1 . . . . . . . . 6314 1 329 . 1 1 34 34 PHE HB3 H 1 2.656 0.05 . 1 . . . . . . . . 6314 1 330 . 1 1 35 35 VAL H H 1 7.269 0.05 . 1 . . . . . . . . 6314 1 331 . 1 1 35 35 VAL N N 15 121.787 0.1 . 1 . . . . . . . . 6314 1 332 . 1 1 35 35 VAL CA C 13 60.712 0.2 . 1 . . . . . . . . 6314 1 333 . 1 1 35 35 VAL HA H 1 4.324 0.05 . 1 . . . . . . . . 6314 1 334 . 1 1 35 35 VAL C C 13 172.485 0.2 . 1 . . . . . . . . 6314 1 335 . 1 1 35 35 VAL CB C 13 31.172 0.2 . 1 . . . . . . . . 6314 1 336 . 1 1 35 35 VAL HB H 1 2.040 0.05 . 1 . . . . . . . . 6314 1 337 . 1 1 35 35 VAL CG1 C 13 21.064 0.2 . 1 . . . . . . . . 6314 1 338 . 1 1 35 35 VAL HG11 H 1 1.085 0.05 . 2 . . . . . . . . 6314 1 339 . 1 1 35 35 VAL HG12 H 1 1.085 0.05 . 2 . . . . . . . . 6314 1 340 . 1 1 35 35 VAL HG13 H 1 1.085 0.05 . 2 . . . . . . . . 6314 1 341 . 1 1 35 35 VAL CG2 C 13 19.951 0.2 . 1 . . . . . . . . 6314 1 342 . 1 1 35 35 VAL HG21 H 1 0.412 0.05 . 2 . . . . . . . . 6314 1 343 . 1 1 35 35 VAL HG22 H 1 0.412 0.05 . 2 . . . . . . . . 6314 1 344 . 1 1 35 35 VAL HG23 H 1 0.412 0.05 . 2 . . . . . . . . 6314 1 345 . 1 1 36 36 THR H H 1 8.332 0.05 . 1 . . . . . . . . 6314 1 346 . 1 1 36 36 THR N N 15 119.850 0.1 . 1 . . . . . . . . 6314 1 347 . 1 1 36 36 THR CA C 13 59.387 0.2 . 1 . . . . . . . . 6314 1 348 . 1 1 36 36 THR HA H 1 4.230 0.05 . 1 . . . . . . . . 6314 1 349 . 1 1 36 36 THR C C 13 170.899 0.2 . 1 . . . . . . . . 6314 1 350 . 1 1 36 36 THR CB C 13 69.796 0.2 . 1 . . . . . . . . 6314 1 351 . 1 1 36 36 THR HB H 1 3.922 0.05 . 1 . . . . . . . . 6314 1 352 . 1 1 36 36 THR CG2 C 13 19.394 0.2 . 1 . . . . . . . . 6314 1 353 . 1 1 36 36 THR HG21 H 1 1.073 0.05 . 1 . . . . . . . . 6314 1 354 . 1 1 36 36 THR HG22 H 1 1.073 0.05 . 1 . . . . . . . . 6314 1 355 . 1 1 36 36 THR HG23 H 1 1.073 0.05 . 1 . . . . . . . . 6314 1 356 . 1 1 37 37 PHE H H 1 8.505 0.05 . 1 . . . . . . . . 6314 1 357 . 1 1 37 37 PHE N N 15 125.429 0.1 . 1 . . . . . . . . 6314 1 358 . 1 1 37 37 PHE CA C 13 53.046 0.2 . 1 . . . . . . . . 6314 1 359 . 1 1 37 37 PHE HA H 1 5.614 0.05 . 1 . . . . . . . . 6314 1 360 . 1 1 37 37 PHE C C 13 173.003 0.2 . 1 . . . . . . . . 6314 1 361 . 1 1 37 37 PHE CB C 13 34.804 0.2 . 1 . . . . . . . . 6314 1 362 . 1 1 37 37 PHE HB2 H 1 3.090 0.05 . 1 . . . . . . . . 6314 1 363 . 1 1 37 37 PHE HB3 H 1 2.850 0.05 . 1 . . . . . . . . 6314 1 364 . 1 1 38 38 SER H H 1 8.753 0.05 . 1 . . . . . . . . 6314 1 365 . 1 1 38 38 SER N N 15 121.549 0.1 . 1 . . . . . . . . 6314 1 366 . 1 1 38 38 SER CA C 13 58.220 0.2 . 1 . . . . . . . . 6314 1 367 . 1 1 38 38 SER HA H 1 4.211 0.05 . 1 . . . . . . . . 6314 1 368 . 1 1 38 38 SER C C 13 173.261 0.2 . 1 . . . . . . . . 6314 1 369 . 1 1 38 38 SER CB C 13 61.767 0.2 . 1 . . . . . . . . 6314 1 370 . 1 1 38 38 SER HB2 H 1 3.884 0.05 . 1 . . . . . . . . 6314 1 371 . 1 1 38 38 SER HB3 H 1 3.779 0.05 . 1 . . . . . . . . 6314 1 372 . 1 1 39 39 ARG H H 1 7.498 0.05 . 1 . . . . . . . . 6314 1 373 . 1 1 39 39 ARG N N 15 116.622 0.1 . 1 . . . . . . . . 6314 1 374 . 1 1 39 39 ARG CA C 13 54.175 0.2 . 1 . . . . . . . . 6314 1 375 . 1 1 39 39 ARG HA H 1 4.632 0.05 . 1 . . . . . . . . 6314 1 376 . 1 1 39 39 ARG C C 13 171.498 0.2 . 1 . . . . . . . . 6314 1 377 . 1 1 39 39 ARG CB C 13 31.491 0.2 . 1 . . . . . . . . 6314 1 378 . 1 1 39 39 ARG HB2 H 1 1.851 0.05 . 2 . . . . . . . . 6314 1 379 . 1 1 39 39 ARG HG2 H 1 1.503 0.05 . 4 . . . . . . . . 6314 1 380 . 1 1 39 39 ARG HD2 H 1 2.938 0.05 . 4 . . . . . . . . 6314 1 381 . 1 1 40 40 VAL H H 1 8.581 0.05 . 1 . . . . . . . . 6314 1 382 . 1 1 40 40 VAL N N 15 123.681 0.1 . 1 . . . . . . . . 6314 1 383 . 1 1 40 40 VAL CA C 13 59.295 0.2 . 1 . . . . . . . . 6314 1 384 . 1 1 40 40 VAL HA H 1 4.906 0.05 . 1 . . . . . . . . 6314 1 385 . 1 1 40 40 VAL C C 13 172.097 0.2 . 1 . . . . . . . . 6314 1 386 . 1 1 40 40 VAL CB C 13 32.499 0.2 . 1 . . . . . . . . 6314 1 387 . 1 1 40 40 VAL HB H 1 1.977 0.05 . 1 . . . . . . . . 6314 1 388 . 1 1 40 40 VAL CG1 C 13 19.023 0.2 . 1 . . . . . . . . 6314 1 389 . 1 1 40 40 VAL HG11 H 1 0.860 0.05 . 2 . . . . . . . . 6314 1 390 . 1 1 40 40 VAL HG12 H 1 0.860 0.05 . 2 . . . . . . . . 6314 1 391 . 1 1 40 40 VAL HG13 H 1 0.860 0.05 . 2 . . . . . . . . 6314 1 392 . 1 1 40 40 VAL CG2 C 13 18.837 0.2 . 1 . . . . . . . . 6314 1 393 . 1 1 40 40 VAL HG21 H 1 0.753 0.05 . 2 . . . . . . . . 6314 1 394 . 1 1 40 40 VAL HG22 H 1 0.753 0.05 . 2 . . . . . . . . 6314 1 395 . 1 1 40 40 VAL HG23 H 1 0.753 0.05 . 2 . . . . . . . . 6314 1 396 . 1 1 41 41 GLU H H 1 9.430 0.05 . 1 . . . . . . . . 6314 1 397 . 1 1 41 41 GLU N N 15 126.271 0.1 . 1 . . . . . . . . 6314 1 398 . 1 1 41 41 GLU CA C 13 51.998 0.2 . 1 . . . . . . . . 6314 1 399 . 1 1 41 41 GLU HA H 1 4.893 0.05 . 1 . . . . . . . . 6314 1 400 . 1 1 41 41 GLU C C 13 174.284 0.2 . 1 . . . . . . . . 6314 1 401 . 1 1 41 41 GLU CB C 13 30.100 0.2 . 1 . . . . . . . . 6314 1 402 . 1 1 41 41 GLU HB2 H 1 2.128 0.05 . 1 . . . . . . . . 6314 1 403 . 1 1 41 41 GLU HB3 H 1 1.985 0.05 . 1 . . . . . . . . 6314 1 404 . 1 1 41 41 GLU CG C 13 33.868 0.2 . 1 . . . . . . . . 6314 1 405 . 1 1 41 41 GLU HG2 H 1 2.230 0.05 . 2 . . . . . . . . 6314 1 406 . 1 1 42 42 LEU H H 1 9.922 0.05 . 1 . . . . . . . . 6314 1 407 . 1 1 42 42 LEU N N 15 129.499 0.1 . 1 . . . . . . . . 6314 1 408 . 1 1 42 42 LEU CA C 13 52.340 0.2 . 1 . . . . . . . . 6314 1 409 . 1 1 42 42 LEU HA H 1 4.994 0.05 . 1 . . . . . . . . 6314 1 410 . 1 1 42 42 LEU C C 13 175.201 0.2 . 1 . . . . . . . . 6314 1 411 . 1 1 42 42 LEU CB C 13 42.025 0.2 . 1 . . . . . . . . 6314 1 412 . 1 1 42 42 LEU HB2 H 1 1.768 0.05 . 1 . . . . . . . . 6314 1 413 . 1 1 42 42 LEU HB3 H 1 1.599 0.05 . 1 . . . . . . . . 6314 1 414 . 1 1 42 42 LEU CD1 C 13 23.105 0.2 . 1 . . . . . . . . 6314 1 415 . 1 1 42 42 LEU HD11 H 1 0.861 0.05 . 2 . . . . . . . . 6314 1 416 . 1 1 42 42 LEU HD12 H 1 0.861 0.05 . 2 . . . . . . . . 6314 1 417 . 1 1 42 42 LEU HD13 H 1 0.861 0.05 . 2 . . . . . . . . 6314 1 418 . 1 1 42 42 LEU CD2 C 13 22.920 0.2 . 1 . . . . . . . . 6314 1 419 . 1 1 42 42 LEU HD21 H 1 0.835 0.05 . 2 . . . . . . . . 6314 1 420 . 1 1 42 42 LEU HD22 H 1 0.835 0.05 . 2 . . . . . . . . 6314 1 421 . 1 1 42 42 LEU HD23 H 1 0.835 0.05 . 2 . . . . . . . . 6314 1 422 . 1 1 43 43 SER H H 1 8.878 0.05 . 1 . . . . . . . . 6314 1 423 . 1 1 43 43 SER N N 15 119.474 0.1 . 1 . . . . . . . . 6314 1 424 . 1 1 43 43 SER CA C 13 56.782 0.2 . 1 . . . . . . . . 6314 1 425 . 1 1 43 43 SER HA H 1 4.368 0.05 . 1 . . . . . . . . 6314 1 426 . 1 1 43 43 SER C C 13 175.118 0.2 . 1 . . . . . . . . 6314 1 427 . 1 1 43 43 SER CB C 13 62.043 0.2 . 1 . . . . . . . . 6314 1 428 . 1 1 43 43 SER HB2 H 1 4.259 0.05 . 1 . . . . . . . . 6314 1 429 . 1 1 43 43 SER HB3 H 1 3.685 0.05 . 1 . . . . . . . . 6314 1 430 . 1 1 44 44 LYS H H 1 8.927 0.05 . 1 . . . . . . . . 6314 1 431 . 1 1 44 44 LYS N N 15 123.104 0.1 . 1 . . . . . . . . 6314 1 432 . 1 1 44 44 LYS CA C 13 57.894 0.2 . 1 . . . . . . . . 6314 1 433 . 1 1 44 44 LYS HA H 1 4.053 0.05 . 1 . . . . . . . . 6314 1 434 . 1 1 44 44 LYS C C 13 175.447 0.2 . 1 . . . . . . . . 6314 1 435 . 1 1 44 44 LYS CB C 13 30.034 0.2 . 1 . . . . . . . . 6314 1 436 . 1 1 44 44 LYS HB2 H 1 1.918 0.05 . 2 . . . . . . . . 6314 1 437 . 1 1 44 44 LYS HG2 H 1 1.585 0.05 . 1 . . . . . . . . 6314 1 438 . 1 1 44 44 LYS HG3 H 1 1.540 0.05 . 1 . . . . . . . . 6314 1 439 . 1 1 44 44 LYS HD2 H 1 1.756 0.05 . 4 . . . . . . . . 6314 1 440 . 1 1 44 44 LYS HE2 H 1 3.058 0.05 . 4 . . . . . . . . 6314 1 441 . 1 1 45 45 ASP H H 1 7.879 0.05 . 1 . . . . . . . . 6314 1 442 . 1 1 45 45 ASP N N 15 114.488 0.1 . 1 . . . . . . . . 6314 1 443 . 1 1 45 45 ASP CA C 13 51.031 0.2 . 1 . . . . . . . . 6314 1 444 . 1 1 45 45 ASP HA H 1 4.504 0.05 . 1 . . . . . . . . 6314 1 445 . 1 1 45 45 ASP C C 13 173.814 0.2 . 1 . . . . . . . . 6314 1 446 . 1 1 45 45 ASP CB C 13 38.315 0.2 . 1 . . . . . . . . 6314 1 447 . 1 1 45 45 ASP HB2 H 1 3.083 0.05 . 1 . . . . . . . . 6314 1 448 . 1 1 45 45 ASP HB3 H 1 2.630 0.05 . 1 . . . . . . . . 6314 1 449 . 1 1 46 46 LYS H H 1 8.021 0.05 . 1 . . . . . . . . 6314 1 450 . 1 1 46 46 LYS N N 15 113.387 0.1 . 1 . . . . . . . . 6314 1 451 . 1 1 46 46 LYS CA C 13 56.362 0.2 . 1 . . . . . . . . 6314 1 452 . 1 1 46 46 LYS HA H 1 3.579 0.05 . 1 . . . . . . . . 6314 1 453 . 1 1 46 46 LYS C C 13 172.744 0.2 . 1 . . . . . . . . 6314 1 454 . 1 1 46 46 LYS CB C 13 27.516 0.2 . 1 . . . . . . . . 6314 1 455 . 1 1 46 46 LYS HB2 H 1 2.101 0.05 . 1 . . . . . . . . 6314 1 456 . 1 1 46 46 LYS HB3 H 1 1.929 0.05 . 1 . . . . . . . . 6314 1 457 . 1 1 46 46 LYS HG2 H 1 1.417 0.05 . 4 . . . . . . . . 6314 1 458 . 1 1 46 46 LYS HG3 H 1 1.302 0.05 . 4 . . . . . . . . 6314 1 459 . 1 1 46 46 LYS HD2 H 1 1.675 0.05 . 4 . . . . . . . . 6314 1 460 . 1 1 46 46 LYS HD3 H 1 1.590 0.05 . 4 . . . . . . . . 6314 1 461 . 1 1 47 47 ARG H H 1 7.584 0.05 . 1 . . . . . . . . 6314 1 462 . 1 1 47 47 ARG N N 15 116.162 0.1 . 1 . . . . . . . . 6314 1 463 . 1 1 47 47 ARG CA C 13 56.070 0.2 . 1 . . . . . . . . 6314 1 464 . 1 1 47 47 ARG HA H 1 3.918 0.05 . 1 . . . . . . . . 6314 1 465 . 1 1 47 47 ARG C C 13 174.542 0.2 . 1 . . . . . . . . 6314 1 466 . 1 1 47 47 ARG HB2 H 1 1.610 0.05 . 1 . . . . . . . . 6314 1 467 . 1 1 47 47 ARG HB3 H 1 1.386 0.05 . 1 . . . . . . . . 6314 1 468 . 1 1 47 47 ARG HG2 H 1 1.255 0.05 . 2 . . . . . . . . 6314 1 469 . 1 1 47 47 ARG HD2 H 1 3.087 0.05 . 2 . . . . . . . . 6314 1 470 . 1 1 48 48 TYR H H 1 7.971 0.05 . 1 . . . . . . . . 6314 1 471 . 1 1 48 48 TYR N N 15 115.248 0.1 . 1 . . . . . . . . 6314 1 472 . 1 1 48 48 TYR CA C 13 54.431 0.2 . 1 . . . . . . . . 6314 1 473 . 1 1 48 48 TYR HA H 1 5.339 0.05 . 1 . . . . . . . . 6314 1 474 . 1 1 48 48 TYR C C 13 171.357 0.2 . 1 . . . . . . . . 6314 1 475 . 1 1 48 48 TYR CB C 13 39.971 0.2 . 1 . . . . . . . . 6314 1 476 . 1 1 48 48 TYR HB2 H 1 2.931 0.05 . 1 . . . . . . . . 6314 1 477 . 1 1 48 48 TYR HB3 H 1 2.623 0.05 . 1 . . . . . . . . 6314 1 478 . 1 1 49 49 ALA H H 1 9.035 0.05 . 1 . . . . . . . . 6314 1 479 . 1 1 49 49 ALA N N 15 123.119 0.1 . 1 . . . . . . . . 6314 1 480 . 1 1 49 49 ALA CA C 13 48.479 0.2 . 1 . . . . . . . . 6314 1 481 . 1 1 49 49 ALA HA H 1 4.911 0.05 . 1 . . . . . . . . 6314 1 482 . 1 1 49 49 ALA C C 13 171.745 0.2 . 1 . . . . . . . . 6314 1 483 . 1 1 49 49 ALA CB C 13 18.109 0.2 . 1 . . . . . . . . 6314 1 484 . 1 1 49 49 ALA HB1 H 1 0.937 0.05 . 1 . . . . . . . . 6314 1 485 . 1 1 49 49 ALA HB2 H 1 0.937 0.05 . 1 . . . . . . . . 6314 1 486 . 1 1 49 49 ALA HB3 H 1 0.937 0.05 . 1 . . . . . . . . 6314 1 487 . 1 1 50 50 ASP H H 1 8.698 0.05 . 1 . . . . . . . . 6314 1 488 . 1 1 50 50 ASP N N 15 124.531 0.1 . 1 . . . . . . . . 6314 1 489 . 1 1 50 50 ASP CA C 13 51.264 0.2 . 1 . . . . . . . . 6314 1 490 . 1 1 50 50 ASP HA H 1 5.224 0.05 . 1 . . . . . . . . 6314 1 491 . 1 1 50 50 ASP C C 13 172.532 0.2 . 1 . . . . . . . . 6314 1 492 . 1 1 50 50 ASP CB C 13 39.839 0.2 . 1 . . . . . . . . 6314 1 493 . 1 1 50 50 ASP HB2 H 1 2.892 0.05 . 1 . . . . . . . . 6314 1 494 . 1 1 50 50 ASP HB3 H 1 2.335 0.05 . 1 . . . . . . . . 6314 1 495 . 1 1 51 51 VAL H H 1 9.076 0.05 . 1 . . . . . . . . 6314 1 496 . 1 1 51 51 VAL N N 15 124.285 0.1 . 1 . . . . . . . . 6314 1 497 . 1 1 51 51 VAL CA C 13 59.240 0.2 . 1 . . . . . . . . 6314 1 498 . 1 1 51 51 VAL HA H 1 4.574 0.05 . 1 . . . . . . . . 6314 1 499 . 1 1 51 51 VAL C C 13 172.156 0.2 . 1 . . . . . . . . 6314 1 500 . 1 1 51 51 VAL CB C 13 30.642 0.2 . 1 . . . . . . . . 6314 1 501 . 1 1 51 51 VAL HB H 1 1.534 0.05 . 1 . . . . . . . . 6314 1 502 . 1 1 51 51 VAL HG11 H 1 0.674 0.05 . 2 . . . . . . . . 6314 1 503 . 1 1 51 51 VAL HG12 H 1 0.674 0.05 . 2 . . . . . . . . 6314 1 504 . 1 1 51 51 VAL HG13 H 1 0.674 0.05 . 2 . . . . . . . . 6314 1 505 . 1 1 51 51 VAL CG2 C 13 18.837 0.2 . 1 . . . . . . . . 6314 1 506 . 1 1 51 51 VAL HG21 H 1 0.361 0.05 . 2 . . . . . . . . 6314 1 507 . 1 1 51 51 VAL HG22 H 1 0.361 0.05 . 2 . . . . . . . . 6314 1 508 . 1 1 51 51 VAL HG23 H 1 0.361 0.05 . 2 . . . . . . . . 6314 1 509 . 1 1 52 52 TYR H H 1 8.821 0.05 . 1 . . . . . . . . 6314 1 510 . 1 1 52 52 TYR N N 15 127.064 0.1 . 1 . . . . . . . . 6314 1 511 . 1 1 52 52 TYR CA C 13 56.295 0.2 . 1 . . . . . . . . 6314 1 512 . 1 1 52 52 TYR HA H 1 4.974 0.05 . 1 . . . . . . . . 6314 1 513 . 1 1 52 52 TYR C C 13 173.567 0.2 . 1 . . . . . . . . 6314 1 514 . 1 1 52 52 TYR CB C 13 37.454 0.2 . 1 . . . . . . . . 6314 1 515 . 1 1 52 52 TYR HB2 H 1 2.906 0.05 . 1 . . . . . . . . 6314 1 516 . 1 1 52 52 TYR HB3 H 1 2.658 0.05 . 1 . . . . . . . . 6314 1 517 . 1 1 53 53 VAL H H 1 9.099 0.05 . 1 . . . . . . . . 6314 1 518 . 1 1 53 53 VAL N N 15 122.497 0.1 . 1 . . . . . . . . 6314 1 519 . 1 1 53 53 VAL CA C 13 60.285 0.2 . 1 . . . . . . . . 6314 1 520 . 1 1 53 53 VAL HA H 1 4.810 0.05 . 1 . . . . . . . . 6314 1 521 . 1 1 53 53 VAL C C 13 173.661 0.2 . 1 . . . . . . . . 6314 1 522 . 1 1 53 53 VAL CB C 13 31.768 0.2 . 1 . . . . . . . . 6314 1 523 . 1 1 53 53 VAL HB H 1 2.084 0.05 . 1 . . . . . . . . 6314 1 524 . 1 1 53 53 VAL CG1 C 13 20.693 0.2 . 1 . . . . . . . . 6314 1 525 . 1 1 53 53 VAL HG11 H 1 1.218 0.05 . 2 . . . . . . . . 6314 1 526 . 1 1 53 53 VAL HG12 H 1 1.218 0.05 . 2 . . . . . . . . 6314 1 527 . 1 1 53 53 VAL HG13 H 1 1.218 0.05 . 2 . . . . . . . . 6314 1 528 . 1 1 53 53 VAL CG2 C 13 19.208 0.2 . 1 . . . . . . . . 6314 1 529 . 1 1 53 53 VAL HG21 H 1 0.866 0.05 . 2 . . . . . . . . 6314 1 530 . 1 1 53 53 VAL HG22 H 1 0.866 0.05 . 2 . . . . . . . . 6314 1 531 . 1 1 53 53 VAL HG23 H 1 0.866 0.05 . 2 . . . . . . . . 6314 1 532 . 1 1 54 54 SER H H 1 9.360 0.05 . 1 . . . . . . . . 6314 1 533 . 1 1 54 54 SER N N 15 124.587 0.1 . 1 . . . . . . . . 6314 1 534 . 1 1 54 54 SER CA C 13 55.036 0.2 . 1 . . . . . . . . 6314 1 535 . 1 1 54 54 SER HA H 1 5.063 0.05 . 1 . . . . . . . . 6314 1 536 . 1 1 54 54 SER C C 13 170.793 0.2 . 1 . . . . . . . . 6314 1 537 . 1 1 54 54 SER CB C 13 62.545 0.2 . 1 . . . . . . . . 6314 1 538 . 1 1 54 54 SER HB2 H 1 3.860 0.05 . 2 . . . . . . . . 6314 1 539 . 1 1 55 55 PHE H H 1 8.615 0.05 . 1 . . . . . . . . 6314 1 540 . 1 1 55 55 PHE N N 15 124.348 0.1 . 1 . . . . . . . . 6314 1 541 . 1 1 55 55 PHE CA C 13 54.791 0.2 . 1 . . . . . . . . 6314 1 542 . 1 1 55 55 PHE HA H 1 5.455 0.05 . 1 . . . . . . . . 6314 1 543 . 1 1 55 55 PHE C C 13 172.344 0.2 . 1 . . . . . . . . 6314 1 544 . 1 1 55 55 PHE CB C 13 42.426 0.2 . 1 . . . . . . . . 6314 1 545 . 1 1 55 55 PHE HB2 H 1 2.833 0.05 . 1 . . . . . . . . 6314 1 546 . 1 1 55 55 PHE HB3 H 1 2.734 0.05 . 1 . . . . . . . . 6314 1 547 . 1 1 56 56 LEU H H 1 7.471 0.05 . 1 . . . . . . . . 6314 1 548 . 1 1 56 56 LEU N N 15 129.817 0.1 . 1 . . . . . . . . 6314 1 549 . 1 1 56 56 LEU CA C 13 51.834 0.2 . 1 . . . . . . . . 6314 1 550 . 1 1 56 56 LEU HA H 1 4.351 0.05 . 1 . . . . . . . . 6314 1 551 . 1 1 56 56 LEU C C 13 171.439 0.2 . 1 . . . . . . . . 6314 1 552 . 1 1 56 56 LEU CB C 13 38.255 0.2 . 1 . . . . . . . . 6314 1 553 . 1 1 56 56 LEU HB2 H 1 1.360 0.05 . 1 . . . . . . . . 6314 1 554 . 1 1 56 56 LEU HB3 H 1 1.123 0.05 . 1 . . . . . . . . 6314 1 555 . 1 1 56 56 LEU CD1 C 13 22.363 0.2 . 1 . . . . . . . . 6314 1 556 . 1 1 56 56 LEU HD11 H 1 0.775 0.05 . 2 . . . . . . . . 6314 1 557 . 1 1 56 56 LEU HD12 H 1 0.775 0.05 . 2 . . . . . . . . 6314 1 558 . 1 1 56 56 LEU HD13 H 1 0.775 0.05 . 2 . . . . . . . . 6314 1 559 . 1 1 56 56 LEU CD2 C 13 21.806 0.2 . 1 . . . . . . . . 6314 1 560 . 1 1 56 56 LEU HD21 H 1 0.686 0.05 . 2 . . . . . . . . 6314 1 561 . 1 1 56 56 LEU HD22 H 1 0.686 0.05 . 2 . . . . . . . . 6314 1 562 . 1 1 56 56 LEU HD23 H 1 0.686 0.05 . 2 . . . . . . . . 6314 1 563 . 1 1 56 56 LEU HG H 1 1.412 0.05 . 1 . . . . . . . . 6314 1 564 . 1 1 57 57 GLY H H 1 7.115 0.05 . 1 . . . . . . . . 6314 1 565 . 1 1 57 57 GLY N N 15 109.294 0.1 . 1 . . . . . . . . 6314 1 566 . 1 1 57 57 GLY CA C 13 42.687 0.2 . 1 . . . . . . . . 6314 1 567 . 1 1 57 57 GLY HA2 H 1 4.225 0.05 . 1 . . . . . . . . 6314 1 568 . 1 1 57 57 GLY HA3 H 1 4.151 0.05 . 1 . . . . . . . . 6314 1 569 . 1 1 57 57 GLY C C 13 171.298 0.2 . 1 . . . . . . . . 6314 1 570 . 1 1 58 58 THR H H 1 8.860 0.05 . 1 . . . . . . . . 6314 1 571 . 1 1 58 58 THR N N 15 113.130 0.05 . 1 . . . . . . . . 6314 1 572 . 1 1 58 58 THR CA C 13 58.852 0.2 . 1 . . . . . . . . 6314 1 573 . 1 1 58 58 THR HA H 1 4.730 0.05 . 1 . . . . . . . . 6314 1 574 . 1 1 58 58 THR CB C 13 66.650 0.2 . 1 . . . . . . . . 6314 1 575 . 1 1 58 58 THR HB H 1 4.876 0.05 . 1 . . . . . . . . 6314 1 576 . 1 1 58 58 THR CG2 C 13 19.951 0.2 . 1 . . . . . . . . 6314 1 577 . 1 1 58 58 THR HG21 H 1 1.447 0.05 . 1 . . . . . . . . 6314 1 578 . 1 1 58 58 THR HG22 H 1 1.447 0.05 . 1 . . . . . . . . 6314 1 579 . 1 1 58 58 THR HG23 H 1 1.447 0.05 . 1 . . . . . . . . 6314 1 580 . 1 1 59 59 PRO CA C 13 63.895 0.2 . 1 . . . . . . . . 6314 1 581 . 1 1 59 59 PRO HA H 1 4.278 0.05 . 1 . . . . . . . . 6314 1 582 . 1 1 59 59 PRO C C 13 177.610 0.2 . 1 . . . . . . . . 6314 1 583 . 1 1 59 59 PRO CB C 13 29.971 0.2 . 1 . . . . . . . . 6314 1 584 . 1 1 59 59 PRO HB2 H 1 2.494 0.05 . 1 . . . . . . . . 6314 1 585 . 1 1 59 59 PRO HB3 H 1 2.031 0.05 . 1 . . . . . . . . 6314 1 586 . 1 1 60 60 GLU H H 1 8.650 0.05 . 1 . . . . . . . . 6314 1 587 . 1 1 60 60 GLU N N 15 117.903 0.1 . 1 . . . . . . . . 6314 1 588 . 1 1 60 60 GLU CA C 13 58.223 0.2 . 1 . . . . . . . . 6314 1 589 . 1 1 60 60 GLU HA H 1 4.056 0.05 . 1 . . . . . . . . 6314 1 590 . 1 1 60 60 GLU C C 13 177.046 0.2 . 1 . . . . . . . . 6314 1 591 . 1 1 60 60 GLU CB C 13 26.456 0.2 . 1 . . . . . . . . 6314 1 592 . 1 1 60 60 GLU HB2 H 1 2.124 0.05 . 1 . . . . . . . . 6314 1 593 . 1 1 60 60 GLU HB3 H 1 1.950 0.05 . 1 . . . . . . . . 6314 1 594 . 1 1 60 60 GLU CG C 13 34.610 0.2 . 1 . . . . . . . . 6314 1 595 . 1 1 60 60 GLU HG2 H 1 2.507 0.05 . 1 . . . . . . . . 6314 1 596 . 1 1 60 60 GLU HG3 H 1 2.327 0.05 . 1 . . . . . . . . 6314 1 597 . 1 1 61 61 GLU H H 1 7.765 0.05 . 1 . . . . . . . . 6314 1 598 . 1 1 61 61 GLU N N 15 120.400 0.1 . 1 . . . . . . . . 6314 1 599 . 1 1 61 61 GLU CA C 13 56.751 0.2 . 1 . . . . . . . . 6314 1 600 . 1 1 61 61 GLU HA H 1 4.005 0.05 . 1 . . . . . . . . 6314 1 601 . 1 1 61 61 GLU C C 13 178.057 0.2 . 1 . . . . . . . . 6314 1 602 . 1 1 61 61 GLU CB C 13 28.113 0.2 . 1 . . . . . . . . 6314 1 603 . 1 1 61 61 GLU HB2 H 1 2.283 0.05 . 1 . . . . . . . . 6314 1 604 . 1 1 61 61 GLU HB3 H 1 1.901 0.05 . 1 . . . . . . . . 6314 1 605 . 1 1 61 61 GLU HG2 H 1 2.414 0.05 . 2 . . . . . . . . 6314 1 606 . 1 1 62 62 ARG H H 1 8.558 0.05 . 1 . . . . . . . . 6314 1 607 . 1 1 62 62 ARG N N 15 124.095 0.1 . 1 . . . . . . . . 6314 1 608 . 1 1 62 62 ARG CA C 13 58.322 0.2 . 1 . . . . . . . . 6314 1 609 . 1 1 62 62 ARG HA H 1 3.915 0.05 . 1 . . . . . . . . 6314 1 610 . 1 1 62 62 ARG C C 13 175.800 0.2 . 1 . . . . . . . . 6314 1 611 . 1 1 62 62 ARG CB C 13 27.980 0.2 . 1 . . . . . . . . 6314 1 612 . 1 1 62 62 ARG HB2 H 1 3.162 0.05 . 2 . . . . . . . . 6314 1 613 . 1 1 63 63 LYS H H 1 7.855 0.05 . 1 . . . . . . . . 6314 1 614 . 1 1 63 63 LYS N N 15 119.508 0.1 . 1 . . . . . . . . 6314 1 615 . 1 1 63 63 LYS CA C 13 58.200 0.2 . 1 . . . . . . . . 6314 1 616 . 1 1 63 63 LYS HA H 1 3.760 0.05 . 1 . . . . . . . . 6314 1 617 . 1 1 63 63 LYS C C 13 177.234 0.2 . 1 . . . . . . . . 6314 1 618 . 1 1 63 63 LYS CB C 13 30.365 0.2 . 1 . . . . . . . . 6314 1 619 . 1 1 63 63 LYS HB2 H 1 1.984 0.05 . 1 . . . . . . . . 6314 1 620 . 1 1 63 63 LYS HB3 H 1 1.928 0.05 . 1 . . . . . . . . 6314 1 621 . 1 1 63 63 LYS CG C 13 22.549 0.2 . 1 . . . . . . . . 6314 1 622 . 1 1 63 63 LYS HG2 H 1 1.533 0.05 . 1 . . . . . . . . 6314 1 623 . 1 1 63 63 LYS HG3 H 1 1.389 0.05 . 1 . . . . . . . . 6314 1 624 . 1 1 63 63 LYS CD C 13 27.188 0.2 . 1 . . . . . . . . 6314 1 625 . 1 1 63 63 LYS HD2 H 1 1.752 0.05 . 2 . . . . . . . . 6314 1 626 . 1 1 64 64 GLU H H 1 7.814 0.05 . 1 . . . . . . . . 6314 1 627 . 1 1 64 64 GLU N N 15 118.841 0.1 . 1 . . . . . . . . 6314 1 628 . 1 1 64 64 GLU CA C 13 56.990 0.2 . 1 . . . . . . . . 6314 1 629 . 1 1 64 64 GLU HA H 1 4.020 0.05 . 1 . . . . . . . . 6314 1 630 . 1 1 64 64 GLU C C 13 176.059 0.2 . 1 . . . . . . . . 6314 1 631 . 1 1 64 64 GLU CB C 13 26.854 0.2 . 1 . . . . . . . . 6314 1 632 . 1 1 64 64 GLU HB2 H 1 2.033 0.05 . 1 . . . . . . . . 6314 1 633 . 1 1 64 64 GLU HB3 H 1 1.975 0.05 . 1 . . . . . . . . 6314 1 634 . 1 1 64 64 GLU HG2 H 1 2.339 0.05 . 1 . . . . . . . . 6314 1 635 . 1 1 64 64 GLU HG3 H 1 2.226 0.05 . 1 . . . . . . . . 6314 1 636 . 1 1 67 67 GLU H H 1 7.748 0.05 . 1 . . . . . . . . 6314 1 637 . 1 1 67 67 GLU N N 15 120.180 0.1 . 1 . . . . . . . . 6314 1 638 . 1 1 67 67 GLU CA C 13 57.982 0.2 . 1 . . . . . . . . 6314 1 639 . 1 1 67 67 GLU HA H 1 4.163 0.05 . 1 . . . . . . . . 6314 1 640 . 1 1 67 67 GLU C C 13 177.446 0.2 . 1 . . . . . . . . 6314 1 641 . 1 1 67 67 GLU CB C 13 26.655 0.2 . 1 . . . . . . . . 6314 1 642 . 1 1 67 67 GLU HB2 H 1 2.215 0.05 . 1 . . . . . . . . 6314 1 643 . 1 1 67 67 GLU HB3 H 1 2.120 0.05 . 1 . . . . . . . . 6314 1 644 . 1 1 67 67 GLU HG2 H 1 2.444 0.05 . 1 . . . . . . . . 6314 1 645 . 1 1 67 67 GLU HG3 H 1 2.306 0.05 . 1 . . . . . . . . 6314 1 646 . 1 1 68 68 ILE H H 1 8.101 0.05 . 1 . . . . . . . . 6314 1 647 . 1 1 68 68 ILE N N 15 120.725 0.1 . 1 . . . . . . . . 6314 1 648 . 1 1 68 68 ILE CA C 13 63.988 0.2 . 1 . . . . . . . . 6314 1 649 . 1 1 68 68 ILE HA H 1 3.497 0.05 . 1 . . . . . . . . 6314 1 650 . 1 1 68 68 ILE C C 13 177.022 0.2 . 1 . . . . . . . . 6314 1 651 . 1 1 68 68 ILE CB C 13 35.941 0.2 . 1 . . . . . . . . 6314 1 652 . 1 1 68 68 ILE HB H 1 1.901 0.05 . 1 . . . . . . . . 6314 1 653 . 1 1 68 68 ILE CG2 C 13 19.023 0.2 . 1 . . . . . . . . 6314 1 654 . 1 1 68 68 ILE HG21 H 1 0.865 0.05 . 1 . . . . . . . . 6314 1 655 . 1 1 68 68 ILE HG22 H 1 0.865 0.05 . 1 . . . . . . . . 6314 1 656 . 1 1 68 68 ILE HG23 H 1 0.865 0.05 . 1 . . . . . . . . 6314 1 657 . 1 1 68 68 ILE CG1 C 13 27.002 0.2 . 1 . . . . . . . . 6314 1 658 . 1 1 68 68 ILE HG12 H 1 0.930 0.05 . 2 . . . . . . . . 6314 1 659 . 1 1 68 68 ILE CD1 C 13 12.175 0.2 . 1 . . . . . . . . 6314 1 660 . 1 1 68 68 ILE HD11 H 1 0.666 0.05 . 1 . . . . . . . . 6314 1 661 . 1 1 68 68 ILE HD12 H 1 0.666 0.05 . 1 . . . . . . . . 6314 1 662 . 1 1 68 68 ILE HD13 H 1 0.666 0.05 . 1 . . . . . . . . 6314 1 663 . 1 1 69 69 LEU H H 1 8.023 0.05 . 1 . . . . . . . . 6314 1 664 . 1 1 69 69 LEU N N 15 119.797 0.1 . 1 . . . . . . . . 6314 1 665 . 1 1 69 69 LEU CA C 13 56.403 0.2 . 1 . . . . . . . . 6314 1 666 . 1 1 69 69 LEU HA H 1 3.752 0.05 . 1 . . . . . . . . 6314 1 667 . 1 1 69 69 LEU C C 13 176.458 0.2 . 1 . . . . . . . . 6314 1 668 . 1 1 69 69 LEU CB C 13 36.930 0.2 . 1 . . . . . . . . 6314 1 669 . 1 1 69 69 LEU HB2 H 1 1.066 0.05 . 1 . . . . . . . . 6314 1 670 . 1 1 69 69 LEU HB3 H 1 -0.470 0.05 . 1 . . . . . . . . 6314 1 671 . 1 1 69 69 LEU CD1 C 13 20.879 0.2 . 1 . . . . . . . . 6314 1 672 . 1 1 69 69 LEU HD11 H 1 0.609 0.05 . 2 . . . . . . . . 6314 1 673 . 1 1 69 69 LEU HD12 H 1 0.609 0.05 . 2 . . . . . . . . 6314 1 674 . 1 1 69 69 LEU HD13 H 1 0.609 0.05 . 2 . . . . . . . . 6314 1 675 . 1 1 69 69 LEU CD2 C 13 25.518 0.2 . 1 . . . . . . . . 6314 1 676 . 1 1 69 69 LEU HD21 H 1 0.456 0.05 . 2 . . . . . . . . 6314 1 677 . 1 1 69 69 LEU HD22 H 1 0.456 0.05 . 2 . . . . . . . . 6314 1 678 . 1 1 69 69 LEU HD23 H 1 0.456 0.05 . 2 . . . . . . . . 6314 1 679 . 1 1 69 69 LEU HG H 1 1.712 0.05 . 1 . . . . . . . . 6314 1 680 . 1 1 70 70 ASN H H 1 8.248 0.05 . 1 . . . . . . . . 6314 1 681 . 1 1 70 70 ASN N N 15 114.554 0.1 . 1 . . . . . . . . 6314 1 682 . 1 1 70 70 ASN CA C 13 54.850 0.2 . 1 . . . . . . . . 6314 1 683 . 1 1 70 70 ASN HA H 1 4.930 0.05 . 1 . . . . . . . . 6314 1 684 . 1 1 70 70 ASN C C 13 178.210 0.2 . 1 . . . . . . . . 6314 1 685 . 1 1 70 70 ASN HB2 H 1 2.902 0.05 . 1 . . . . . . . . 6314 1 686 . 1 1 70 70 ASN HB3 H 1 2.804 0.05 . 1 . . . . . . . . 6314 1 687 . 1 1 71 71 ARG H H 1 8.229 0.05 . 1 . . . . . . . . 6314 1 688 . 1 1 71 71 ARG N N 15 121.809 0.1 . 1 . . . . . . . . 6314 1 689 . 1 1 71 71 ARG CA C 13 57.450 0.2 . 1 . . . . . . . . 6314 1 690 . 1 1 71 71 ARG HA H 1 4.300 0.05 . 1 . . . . . . . . 6314 1 691 . 1 1 71 71 ARG C C 13 175.471 0.2 . 1 . . . . . . . . 6314 1 692 . 1 1 71 71 ARG CB C 13 27.683 0.2 . 1 . . . . . . . . 6314 1 693 . 1 1 71 71 ARG HB2 H 1 2.073 0.05 . 2 . . . . . . . . 6314 1 694 . 1 1 71 71 ARG HG2 H 1 1.996 0.05 . 4 . . . . . . . . 6314 1 695 . 1 1 71 71 ARG HG3 H 1 1.788 0.05 . 4 . . . . . . . . 6314 1 696 . 1 1 71 71 ARG HD2 H 1 3.332 0.05 . 4 . . . . . . . . 6314 1 697 . 1 1 71 71 ARG HD3 H 1 3.238 0.05 . 4 . . . . . . . . 6314 1 698 . 1 1 72 72 ALA H H 1 7.663 0.05 . 1 . . . . . . . . 6314 1 699 . 1 1 72 72 ALA N N 15 121.664 0.1 . 1 . . . . . . . . 6314 1 700 . 1 1 72 72 ALA CA C 13 49.423 0.2 . 1 . . . . . . . . 6314 1 701 . 1 1 72 72 ALA HA H 1 4.950 0.05 . 1 . . . . . . . . 6314 1 702 . 1 1 72 72 ALA C C 13 176.682 0.2 . 1 . . . . . . . . 6314 1 703 . 1 1 72 72 ALA CB C 13 17.049 0.2 . 1 . . . . . . . . 6314 1 704 . 1 1 72 72 ALA HB1 H 1 1.649 0.05 . 1 . . . . . . . . 6314 1 705 . 1 1 72 72 ALA HB2 H 1 1.649 0.05 . 1 . . . . . . . . 6314 1 706 . 1 1 72 72 ALA HB3 H 1 1.649 0.05 . 1 . . . . . . . . 6314 1 707 . 1 1 73 73 LYS H H 1 7.704 0.05 . 1 . . . . . . . . 6314 1 708 . 1 1 73 73 LYS N N 15 119.460 0.1 . 1 . . . . . . . . 6314 1 709 . 1 1 73 73 LYS CA C 13 59.570 0.2 . 1 . . . . . . . . 6314 1 710 . 1 1 73 73 LYS HA H 1 4.571 0.05 . 1 . . . . . . . . 6314 1 711 . 1 1 73 73 LYS C C 13 176.811 0.2 . 1 . . . . . . . . 6314 1 712 . 1 1 73 73 LYS CB C 13 29.173 0.2 . 1 . . . . . . . . 6314 1 713 . 1 1 73 73 LYS HB2 H 1 2.526 0.05 . 1 . . . . . . . . 6314 1 714 . 1 1 73 73 LYS HB3 H 1 2.458 0.05 . 1 . . . . . . . . 6314 1 715 . 1 1 73 73 LYS HG2 H 1 1.618 0.05 . 2 . . . . . . . . 6314 1 716 . 1 1 73 73 LYS HD2 H 1 1.995 0.05 . 2 . . . . . . . . 6314 1 717 . 1 1 73 73 LYS HE2 H 1 2.117 0.05 . 2 . . . . . . . . 6314 1 718 . 1 1 74 74 GLY H H 1 9.291 0.05 . 1 . . . . . . . . 6314 1 719 . 1 1 74 74 GLY N N 15 111.848 0.1 . 1 . . . . . . . . 6314 1 720 . 1 1 74 74 GLY CA C 13 45.171 0.2 . 1 . . . . . . . . 6314 1 721 . 1 1 74 74 GLY HA2 H 1 4.086 0.05 . 1 . . . . . . . . 6314 1 722 . 1 1 74 74 GLY HA3 H 1 4.046 0.05 . 1 . . . . . . . . 6314 1 723 . 1 1 74 74 GLY C C 13 174.225 0.2 . 1 . . . . . . . . 6314 1 724 . 1 1 75 75 PHE H H 1 7.822 0.05 . 1 . . . . . . . . 6314 1 725 . 1 1 75 75 PHE N N 15 124.720 0.1 . 1 . . . . . . . . 6314 1 726 . 1 1 75 75 PHE CA C 13 58.974 0.2 . 1 . . . . . . . . 6314 1 727 . 1 1 75 75 PHE HA H 1 4.391 0.05 . 1 . . . . . . . . 6314 1 728 . 1 1 75 75 PHE C C 13 175.941 0.2 . 1 . . . . . . . . 6314 1 729 . 1 1 75 75 PHE CB C 13 36.394 0.2 . 1 . . . . . . . . 6314 1 730 . 1 1 75 75 PHE HB2 H 1 3.331 0.05 . 1 . . . . . . . . 6314 1 731 . 1 1 75 75 PHE HB3 H 1 3.183 0.05 . 1 . . . . . . . . 6314 1 732 . 1 1 76 76 PHE H H 1 7.756 0.05 . 1 . . . . . . . . 6314 1 733 . 1 1 76 76 PHE N N 15 116.613 0.1 . 1 . . . . . . . . 6314 1 734 . 1 1 76 76 PHE CA C 13 60.935 0.2 . 1 . . . . . . . . 6314 1 735 . 1 1 76 76 PHE HA H 1 3.799 0.05 . 1 . . . . . . . . 6314 1 736 . 1 1 76 76 PHE C C 13 175.095 0.2 . 1 . . . . . . . . 6314 1 737 . 1 1 76 76 PHE CB C 13 37.255 0.2 . 1 . . . . . . . . 6314 1 738 . 1 1 76 76 PHE HB2 H 1 3.136 0.05 . 1 . . . . . . . . 6314 1 739 . 1 1 76 76 PHE HB3 H 1 2.967 0.05 . 1 . . . . . . . . 6314 1 740 . 1 1 77 77 ARG H H 1 8.381 0.05 . 1 . . . . . . . . 6314 1 741 . 1 1 77 77 ARG N N 15 119.141 0.1 . 1 . . . . . . . . 6314 1 742 . 1 1 77 77 ARG CA C 13 58.818 0.2 . 1 . . . . . . . . 6314 1 743 . 1 1 77 77 ARG HA H 1 3.878 0.05 . 1 . . . . . . . . 6314 1 744 . 1 1 77 77 ARG C C 13 176.094 0.2 . 1 . . . . . . . . 6314 1 745 . 1 1 77 77 ARG CB C 13 28.378 0.2 . 1 . . . . . . . . 6314 1 746 . 1 1 77 77 ARG HB2 H 1 2.237 0.05 . 1 . . . . . . . . 6314 1 747 . 1 1 77 77 ARG HB3 H 1 2.054 0.05 . 1 . . . . . . . . 6314 1 748 . 1 1 77 77 ARG HG2 H 1 1.875 0.05 . 4 . . . . . . . . 6314 1 749 . 1 1 77 77 ARG HG3 H 1 1.631 0.05 . 4 . . . . . . . . 6314 1 750 . 1 1 77 77 ARG HD2 H 1 3.291 0.05 . 4 . . . . . . . . 6314 1 751 . 1 1 77 77 ARG HD3 H 1 3.229 0.05 . 4 . . . . . . . . 6314 1 752 . 1 1 78 78 THR H H 1 8.127 0.05 . 1 . . . . . . . . 6314 1 753 . 1 1 78 78 THR N N 15 114.725 0.1 . 1 . . . . . . . . 6314 1 754 . 1 1 78 78 THR CA C 13 64.493 0.2 . 1 . . . . . . . . 6314 1 755 . 1 1 78 78 THR HA H 1 3.931 0.05 . 1 . . . . . . . . 6314 1 756 . 1 1 78 78 THR C C 13 173.614 0.2 . 1 . . . . . . . . 6314 1 757 . 1 1 78 78 THR CB C 13 66.888 0.2 . 1 . . . . . . . . 6314 1 758 . 1 1 78 78 THR HB H 1 4.213 0.05 . 1 . . . . . . . . 6314 1 759 . 1 1 78 78 THR CG2 C 13 19.765 0.2 . 1 . . . . . . . . 6314 1 760 . 1 1 78 78 THR HG21 H 1 1.269 0.05 . 1 . . . . . . . . 6314 1 761 . 1 1 78 78 THR HG22 H 1 1.269 0.05 . 1 . . . . . . . . 6314 1 762 . 1 1 78 78 THR HG23 H 1 1.269 0.05 . 1 . . . . . . . . 6314 1 763 . 1 1 79 79 PHE H H 1 7.959 0.05 . 1 . . . . . . . . 6314 1 764 . 1 1 79 79 PHE N N 15 122.604 0.1 . 1 . . . . . . . . 6314 1 765 . 1 1 79 79 PHE CA C 13 60.317 0.2 . 1 . . . . . . . . 6314 1 766 . 1 1 79 79 PHE HA H 1 3.855 0.05 . 1 . . . . . . . . 6314 1 767 . 1 1 79 79 PHE C C 13 177.093 0.2 . 1 . . . . . . . . 6314 1 768 . 1 1 79 79 PHE CB C 13 37.586 0.2 . 1 . . . . . . . . 6314 1 769 . 1 1 79 79 PHE HB2 H 1 2.892 0.05 . 1 . . . . . . . . 6314 1 770 . 1 1 79 79 PHE HB3 H 1 2.578 0.05 . 1 . . . . . . . . 6314 1 771 . 1 1 80 80 ILE H H 1 8.271 0.05 . 1 . . . . . . . . 6314 1 772 . 1 1 80 80 ILE N N 15 118.340 0.1 . 1 . . . . . . . . 6314 1 773 . 1 1 80 80 ILE CA C 13 62.857 0.2 . 1 . . . . . . . . 6314 1 774 . 1 1 80 80 ILE HA H 1 3.770 0.05 . 1 . . . . . . . . 6314 1 775 . 1 1 80 80 ILE C C 13 175.083 0.2 . 1 . . . . . . . . 6314 1 776 . 1 1 80 80 ILE CB C 13 34.946 0.2 . 1 . . . . . . . . 6314 1 777 . 1 1 80 80 ILE HB H 1 2.157 0.05 . 1 . . . . . . . . 6314 1 778 . 1 1 80 80 ILE CG2 C 13 19.023 0.2 . 1 . . . . . . . . 6314 1 779 . 1 1 80 80 ILE HG21 H 1 0.954 0.05 . 1 . . . . . . . . 6314 1 780 . 1 1 80 80 ILE HG22 H 1 0.954 0.05 . 1 . . . . . . . . 6314 1 781 . 1 1 80 80 ILE HG23 H 1 0.954 0.05 . 1 . . . . . . . . 6314 1 782 . 1 1 80 80 ILE CG1 C 13 27.002 0.2 . 1 . . . . . . . . 6314 1 783 . 1 1 80 80 ILE HG12 H 1 1.759 0.05 . 1 . . . . . . . . 6314 1 784 . 1 1 80 80 ILE HG13 H 1 1.594 0.05 . 1 . . . . . . . . 6314 1 785 . 1 1 80 80 ILE CD1 C 13 11.619 0.2 . 1 . . . . . . . . 6314 1 786 . 1 1 80 80 ILE HD11 H 1 0.911 0.05 . 1 . . . . . . . . 6314 1 787 . 1 1 80 80 ILE HD12 H 1 0.911 0.05 . 1 . . . . . . . . 6314 1 788 . 1 1 80 80 ILE HD13 H 1 0.911 0.05 . 1 . . . . . . . . 6314 1 789 . 1 1 81 81 ALA H H 1 8.405 0.05 . 1 . . . . . . . . 6314 1 790 . 1 1 81 81 ALA N N 15 121.867 0.1 . 1 . . . . . . . . 6314 1 791 . 1 1 81 81 ALA CA C 13 53.585 0.2 . 1 . . . . . . . . 6314 1 792 . 1 1 81 81 ALA HA H 1 4.020 0.05 . 1 . . . . . . . . 6314 1 793 . 1 1 81 81 ALA C C 13 178.045 0.2 . 1 . . . . . . . . 6314 1 794 . 1 1 81 81 ALA CB C 13 16.254 0.2 . 1 . . . . . . . . 6314 1 795 . 1 1 81 81 ALA HB1 H 1 1.506 0.05 . 1 . . . . . . . . 6314 1 796 . 1 1 81 81 ALA HB2 H 1 1.506 0.05 . 1 . . . . . . . . 6314 1 797 . 1 1 81 81 ALA HB3 H 1 1.506 0.05 . 1 . . . . . . . . 6314 1 798 . 1 1 82 82 LYS H H 1 7.925 0.05 . 1 . . . . . . . . 6314 1 799 . 1 1 82 82 LYS N N 15 114.127 0.1 . 1 . . . . . . . . 6314 1 800 . 1 1 82 82 LYS CA C 13 56.380 0.2 . 1 . . . . . . . . 6314 1 801 . 1 1 82 82 LYS HA H 1 4.071 0.05 . 1 . . . . . . . . 6314 1 802 . 1 1 82 82 LYS C C 13 176.294 0.2 . 1 . . . . . . . . 6314 1 803 . 1 1 82 82 LYS CB C 13 30.564 0.2 . 1 . . . . . . . . 6314 1 804 . 1 1 82 82 LYS HB2 H 1 1.753 0.05 . 1 . . . . . . . . 6314 1 805 . 1 1 82 82 LYS HB3 H 1 1.680 0.05 . 1 . . . . . . . . 6314 1 806 . 1 1 82 82 LYS HG2 H 1 1.441 0.05 . 1 . . . . . . . . 6314 1 807 . 1 1 82 82 LYS HG3 H 1 1.371 0.05 . 1 . . . . . . . . 6314 1 808 . 1 1 82 82 LYS HD2 H 1 1.565 0.05 . 4 . . . . . . . . 6314 1 809 . 1 1 82 82 LYS HE2 H 1 2.882 0.05 . 4 . . . . . . . . 6314 1 810 . 1 1 83 83 ASN H H 1 7.403 0.05 . 1 . . . . . . . . 6314 1 811 . 1 1 83 83 ASN N N 15 115.199 0.1 . 1 . . . . . . . . 6314 1 812 . 1 1 83 83 ASN CA C 13 53.859 0.2 . 1 . . . . . . . . 6314 1 813 . 1 1 83 83 ASN HA H 1 4.538 0.05 . 1 . . . . . . . . 6314 1 814 . 1 1 83 83 ASN C C 13 173.132 0.2 . 1 . . . . . . . . 6314 1 815 . 1 1 83 83 ASN CB C 13 39.706 0.2 . 1 . . . . . . . . 6314 1 816 . 1 1 83 83 ASN HB2 H 1 2.555 0.05 . 1 . . . . . . . . 6314 1 817 . 1 1 83 83 ASN HB3 H 1 2.384 0.05 . 1 . . . . . . . . 6314 1 818 . 1 1 84 84 LEU H H 1 8.128 0.05 . 1 . . . . . . . . 6314 1 819 . 1 1 84 84 LEU N N 15 119.529 0.1 . 1 . . . . . . . . 6314 1 820 . 1 1 84 84 LEU CA C 13 52.686 0.2 . 1 . . . . . . . . 6314 1 821 . 1 1 84 84 LEU HA H 1 4.510 0.05 . 1 . . . . . . . . 6314 1 822 . 1 1 84 84 LEU C C 13 173.720 0.2 . 1 . . . . . . . . 6314 1 823 . 1 1 84 84 LEU CB C 13 40.633 0.2 . 1 . . . . . . . . 6314 1 824 . 1 1 84 84 LEU HB2 H 1 1.627 0.05 . 2 . . . . . . . . 6314 1 825 . 1 1 84 84 LEU HG H 1 1.294 0.05 . 1 . . . . . . . . 6314 1 826 . 1 1 84 84 LEU CD1 C 13 23.291 0.2 . 1 . . . . . . . . 6314 1 827 . 1 1 84 84 LEU HD11 H 1 0.812 0.05 . 2 . . . . . . . . 6314 1 828 . 1 1 84 84 LEU HD12 H 1 0.812 0.05 . 2 . . . . . . . . 6314 1 829 . 1 1 84 84 LEU HD13 H 1 0.812 0.05 . 2 . . . . . . . . 6314 1 830 . 1 1 84 84 LEU HD21 H 1 0.792 0.05 . 2 . . . . . . . . 6314 1 831 . 1 1 84 84 LEU HD22 H 1 0.792 0.05 . 2 . . . . . . . . 6314 1 832 . 1 1 84 84 LEU HD23 H 1 0.792 0.05 . 2 . . . . . . . . 6314 1 833 . 1 1 85 85 ARG H H 1 7.810 0.05 . 1 . . . . . . . . 6314 1 834 . 1 1 85 85 ARG N N 15 118.487 0.1 . 1 . . . . . . . . 6314 1 835 . 1 1 85 85 ARG CA C 13 54.886 0.2 . 1 . . . . . . . . 6314 1 836 . 1 1 85 85 ARG HA H 1 4.055 0.05 . 1 . . . . . . . . 6314 1 837 . 1 1 85 85 ARG C C 13 173.919 0.2 . 1 . . . . . . . . 6314 1 838 . 1 1 85 85 ARG CB C 13 25.860 0.2 . 1 . . . . . . . . 6314 1 839 . 1 1 85 85 ARG HB2 H 1 1.879 0.05 . 2 . . . . . . . . 6314 1 840 . 1 1 85 85 ARG HG2 H 1 1.575 0.05 . 4 . . . . . . . . 6314 1 841 . 1 1 85 85 ARG HD2 H 1 3.204 0.05 . 4 . . . . . . . . 6314 1 842 . 1 1 86 86 LEU H H 1 7.884 0.05 . . . . . . . . . . 6314 1 843 . 1 1 86 86 LEU N N 15 118.141 0.1 . 1 . . . . . . . . 6314 1 844 . 1 1 86 86 LEU CA C 13 52.317 0.2 . 1 . . . . . . . . 6314 1 845 . 1 1 86 86 LEU HA H 1 4.348 0.05 . 1 . . . . . . . . 6314 1 846 . 1 1 86 86 LEU C C 13 174.707 0.2 . 1 . . . . . . . . 6314 1 847 . 1 1 86 86 LEU CB C 13 41.296 0.2 . 1 . . . . . . . . 6314 1 848 . 1 1 86 86 LEU HB2 H 1 1.423 0.05 . 2 . . . . . . . . 6314 1 849 . 1 1 86 86 LEU CD1 C 13 23.105 0.2 . 1 . . . . . . . . 6314 1 850 . 1 1 86 86 LEU HD11 H 1 0.868 0.05 . 2 . . . . . . . . 6314 1 851 . 1 1 86 86 LEU HD12 H 1 0.868 0.05 . 2 . . . . . . . . 6314 1 852 . 1 1 86 86 LEU HD13 H 1 0.868 0.05 . 2 . . . . . . . . 6314 1 853 . 1 1 86 86 LEU CD2 C 13 21.064 0.2 . 1 . . . . . . . . 6314 1 854 . 1 1 86 86 LEU HD21 H 1 0.840 0.05 . 2 . . . . . . . . 6314 1 855 . 1 1 86 86 LEU HD22 H 1 0.840 0.05 . 2 . . . . . . . . 6314 1 856 . 1 1 86 86 LEU HD23 H 1 0.840 0.05 . 2 . . . . . . . . 6314 1 857 . 1 1 87 87 TYR H H 1 8.086 0.05 . 1 . . . . . . . . 6314 1 858 . 1 1 87 87 TYR N N 15 120.493 0.1 . 1 . . . . . . . . 6314 1 859 . 1 1 87 87 TYR CA C 13 57.465 0.2 . 1 . . . . . . . . 6314 1 860 . 1 1 87 87 TYR HA H 1 4.409 0.05 . 1 . . . . . . . . 6314 1 861 . 1 1 87 87 TYR C C 13 173.943 0.2 . 1 . . . . . . . . 6314 1 862 . 1 1 87 87 TYR CB C 13 36.857 0.2 . 1 . . . . . . . . 6314 1 863 . 1 1 87 87 TYR HB2 H 1 3.044 0.05 . 1 . . . . . . . . 6314 1 864 . 1 1 87 87 TYR HB3 H 1 2.979 0.05 . 1 . . . . . . . . 6314 1 865 . 1 1 88 88 VAL H H 1 7.576 0.05 . 1 . . . . . . . . 6314 1 866 . 1 1 88 88 VAL N N 15 117.538 0.1 . 1 . . . . . . . . 6314 1 867 . 1 1 88 88 VAL CA C 13 59.331 0.2 . 1 . . . . . . . . 6314 1 868 . 1 1 88 88 VAL HA H 1 4.054 0.05 . 1 . . . . . . . . 6314 1 869 . 1 1 88 88 VAL C C 13 172.474 0.2 . 1 . . . . . . . . 6314 1 870 . 1 1 88 88 VAL CB C 13 31.238 0.2 . 1 . . . . . . . . 6314 1 871 . 1 1 88 88 VAL HB H 1 1.839 0.05 . 1 . . . . . . . . 6314 1 872 . 1 1 88 88 VAL HG11 H 1 0.852 0.05 . 2 . . . . . . . . 6314 1 873 . 1 1 88 88 VAL HG12 H 1 0.852 0.05 . 2 . . . . . . . . 6314 1 874 . 1 1 88 88 VAL HG13 H 1 0.852 0.05 . 2 . . . . . . . . 6314 1 875 . 1 1 88 88 VAL CG2 C 13 18.837 0.2 . 1 . . . . . . . . 6314 1 876 . 1 1 88 88 VAL HG21 H 1 0.795 0.05 . 2 . . . . . . . . 6314 1 877 . 1 1 88 88 VAL HG22 H 1 0.795 0.05 . 2 . . . . . . . . 6314 1 878 . 1 1 88 88 VAL HG23 H 1 0.795 0.05 . 2 . . . . . . . . 6314 1 879 . 1 1 89 89 ALA H H 1 8.502 0.05 . 1 . . . . . . . . 6314 1 880 . 1 1 89 89 ALA N N 15 128.818 0.1 . 1 . . . . . . . . 6314 1 881 . 1 1 89 89 ALA CA C 13 47.391 0.2 . 1 . . . . . . . . 6314 1 882 . 1 1 89 89 ALA CB C 13 16.585 0.05 . 1 . . . . . . . . 6314 1 883 . 1 1 90 90 PRO CA C 13 60.337 0.2 . 1 . . . . . . . . 6314 1 884 . 1 1 90 90 PRO HA H 1 4.242 0.05 . 1 . . . . . . . . 6314 1 885 . 1 1 90 90 PRO C C 13 173.202 0.05 . 1 . . . . . . . . 6314 1 886 . 1 1 90 90 PRO CB C 13 28.858 0.2 . 1 . . . . . . . . 6314 1 887 . 1 1 90 90 PRO HB2 H 1 1.878 0.05 . 1 . . . . . . . . 6314 1 888 . 1 1 90 90 PRO HB3 H 1 1.490 0.05 . 1 . . . . . . . . 6314 1 889 . 1 1 91 91 GLU H H 1 7.891 0.05 . 1 . . . . . . . . 6314 1 890 . 1 1 91 91 GLU N N 15 119.211 0.1 . 1 . . . . . . . . 6314 1 891 . 1 1 91 91 GLU CA C 13 54.809 0.2 . 1 . . . . . . . . 6314 1 892 . 1 1 91 91 GLU HA H 1 4.103 0.05 . 1 . . . . . . . . 6314 1 893 . 1 1 91 91 GLU C C 13 173.144 0.2 . 1 . . . . . . . . 6314 1 894 . 1 1 91 91 GLU CB C 13 28.245 0.2 . 1 . . . . . . . . 6314 1 895 . 1 1 91 91 GLU HB2 H 1 2.056 0.05 . 1 . . . . . . . . 6314 1 896 . 1 1 91 91 GLU HB3 H 1 1.987 0.05 . 1 . . . . . . . . 6314 1 897 . 1 1 91 91 GLU HG2 H 1 2.342 0.05 . 2 . . . . . . . . 6314 1 898 . 1 1 92 92 ILE H H 1 8.310 0.05 . 1 . . . . . . . . 6314 1 899 . 1 1 92 92 ILE N N 15 126.579 0.1 . 1 . . . . . . . . 6314 1 900 . 1 1 92 92 ILE CA C 13 57.018 0.2 . 1 . . . . . . . . 6314 1 901 . 1 1 92 92 ILE HA H 1 4.554 0.05 . 1 . . . . . . . . 6314 1 902 . 1 1 92 92 ILE C C 13 172.709 0.2 . 1 . . . . . . . . 6314 1 903 . 1 1 92 92 ILE CB C 13 35.807 0.2 . 1 . . . . . . . . 6314 1 904 . 1 1 92 92 ILE HB H 1 1.741 0.05 . 1 . . . . . . . . 6314 1 905 . 1 1 92 92 ILE CG2 C 13 16.629 0.2 . 1 . . . . . . . . 6314 1 906 . 1 1 92 92 ILE HG12 H 1 1.416 0.05 . 1 . . . . . . . . 6314 1 907 . 1 1 92 92 ILE HG13 H 1 1.196 0.05 . 1 . . . . . . . . 6314 1 908 . 1 1 92 92 ILE HD11 H 1 0.558 0.05 . 1 . . . . . . . . 6314 1 909 . 1 1 92 92 ILE HD12 H 1 0.558 0.05 . 1 . . . . . . . . 6314 1 910 . 1 1 92 92 ILE HD13 H 1 0.558 0.05 . 1 . . . . . . . . 6314 1 911 . 1 1 92 92 ILE HG21 H 1 0.012 0.05 . 1 . . . . . . . . 6314 1 912 . 1 1 92 92 ILE HG22 H 1 0.012 0.05 . 1 . . . . . . . . 6314 1 913 . 1 1 92 92 ILE HG23 H 1 0.012 0.05 . 1 . . . . . . . . 6314 1 914 . 1 1 93 93 ARG H H 1 8.117 0.05 . 1 . . . . . . . . 6314 1 915 . 1 1 93 93 ARG N N 15 124.609 0.1 . 1 . . . . . . . . 6314 1 916 . 1 1 93 93 ARG CA C 13 53.411 0.2 . 1 . . . . . . . . 6314 1 917 . 1 1 93 93 ARG HA H 1 4.440 0.05 . 1 . . . . . . . . 6314 1 918 . 1 1 93 93 ARG C C 13 171.357 0.2 . 1 . . . . . . . . 6314 1 919 . 1 1 93 93 ARG CB C 13 30.895 0.2 . 1 . . . . . . . . 6314 1 920 . 1 1 93 93 ARG HB2 H 1 2.035 0.05 . 1 . . . . . . . . 6314 1 921 . 1 1 93 93 ARG HB3 H 1 1.452 0.05 . 1 . . . . . . . . 6314 1 922 . 1 1 94 94 PHE H H 1 8.495 0.05 . 1 . . . . . . . . 6314 1 923 . 1 1 94 94 PHE N N 15 118.807 0.1 . 1 . . . . . . . . 6314 1 924 . 1 1 94 94 PHE CA C 13 54.987 0.2 . 1 . . . . . . . . 6314 1 925 . 1 1 94 94 PHE HA H 1 5.339 0.05 . 1 . . . . . . . . 6314 1 926 . 1 1 94 94 PHE C C 13 173.473 0.2 . 1 . . . . . . . . 6314 1 927 . 1 1 94 94 PHE CB C 13 38.712 0.2 . 1 . . . . . . . . 6314 1 928 . 1 1 94 94 PHE HB2 H 1 2.650 0.05 . 1 . . . . . . . . 6314 1 929 . 1 1 94 94 PHE HB3 H 1 2.580 0.05 . 1 . . . . . . . . 6314 1 930 . 1 1 95 95 TYR H H 1 9.116 0.05 . 1 . . . . . . . . 6314 1 931 . 1 1 95 95 TYR N N 15 119.978 0.1 . 1 . . . . . . . . 6314 1 932 . 1 1 95 95 TYR CA C 13 54.480 0.2 . 1 . . . . . . . . 6314 1 933 . 1 1 95 95 TYR HA H 1 4.723 0.05 . 1 . . . . . . . . 6314 1 934 . 1 1 95 95 TYR C C 13 173.367 0.2 . 1 . . . . . . . . 6314 1 935 . 1 1 95 95 TYR CB C 13 41.097 0.2 . 1 . . . . . . . . 6314 1 936 . 1 1 95 95 TYR HB2 H 1 3.015 0.05 . 1 . . . . . . . . 6314 1 937 . 1 1 95 95 TYR HB3 H 1 1.835 0.05 . 1 . . . . . . . . 6314 1 938 . 1 1 96 96 GLU H H 1 9.162 0.05 . 1 . . . . . . . . 6314 1 939 . 1 1 96 96 GLU N N 15 120.356 0.1 . 1 . . . . . . . . 6314 1 940 . 1 1 96 96 GLU CA C 13 55.798 0.2 . 1 . . . . . . . . 6314 1 941 . 1 1 96 96 GLU HA H 1 4.258 0.05 . 1 . . . . . . . . 6314 1 942 . 1 1 96 96 GLU C C 13 173.896 0.2 . 1 . . . . . . . . 6314 1 943 . 1 1 96 96 GLU CB C 13 29.769 0.2 . 1 . . . . . . . . 6314 1 944 . 1 1 96 96 GLU HB2 H 1 2.067 0.05 . 2 . . . . . . . . 6314 1 945 . 1 1 96 96 GLU HG2 H 1 2.431 0.05 . 4 . . . . . . . . 6314 1 946 . 1 1 96 96 GLU HG3 H 1 2.056 0.05 . 4 . . . . . . . . 6314 1 947 . 1 1 97 97 ASP H H 1 8.746 0.05 . 1 . . . . . . . . 6314 1 948 . 1 1 97 97 ASP N N 15 123.008 0.1 . 1 . . . . . . . . 6314 1 949 . 1 1 97 97 ASP CA C 13 51.774 0.2 . 1 . . . . . . . . 6314 1 950 . 1 1 97 97 ASP HA H 1 4.891 0.05 . 1 . . . . . . . . 6314 1 951 . 1 1 97 97 ASP C C 13 173.919 0.2 . 1 . . . . . . . . 6314 1 952 . 1 1 97 97 ASP CB C 13 38.911 0.2 . 1 . . . . . . . . 6314 1 953 . 1 1 97 97 ASP HB2 H 1 2.917 0.05 . 1 . . . . . . . . 6314 1 954 . 1 1 97 97 ASP HB3 H 1 2.372 0.05 . 1 . . . . . . . . 6314 1 955 . 1 1 98 98 LYS H H 1 8.376 0.05 . 1 . . . . . . . . 6314 1 956 . 1 1 98 98 LYS N N 15 124.201 0.1 . 1 . . . . . . . . 6314 1 957 . 1 1 98 98 LYS CA C 13 54.492 0.2 . 1 . . . . . . . . 6314 1 958 . 1 1 98 98 LYS HA H 1 4.396 0.05 . 1 . . . . . . . . 6314 1 959 . 1 1 98 98 LYS C C 13 175.118 0.2 . 1 . . . . . . . . 6314 1 960 . 1 1 98 98 LYS CB C 13 30.696 0.2 . 1 . . . . . . . . 6314 1 961 . 1 1 98 98 LYS HB2 H 1 1.991 0.05 . 1 . . . . . . . . 6314 1 962 . 1 1 98 98 LYS HB3 H 1 1.739 0.05 . 1 . . . . . . . . 6314 1 963 . 1 1 98 98 LYS HG2 H 1 1.374 0.05 . 2 . . . . . . . . 6314 1 964 . 1 1 98 98 LYS HD2 H 1 1.487 0.05 . 4 . . . . . . . . 6314 1 965 . 1 1 98 98 LYS HE2 H 1 3.019 0.05 . 4 . . . . . . . . 6314 1 966 . 1 1 99 99 GLY H H 1 8.428 0.05 . 1 . . . . . . . . 6314 1 967 . 1 1 99 99 GLY N N 15 108.791 0.1 . 1 . . . . . . . . 6314 1 968 . 1 1 99 99 GLY CA C 13 43.593 0.2 . 1 . . . . . . . . 6314 1 969 . 1 1 99 99 GLY HA2 H 1 4.011 0.05 . 1 . . . . . . . . 6314 1 970 . 1 1 99 99 GLY HA3 H 1 3.930 0.05 . 1 . . . . . . . . 6314 1 971 . 1 1 99 99 GLY C C 13 172.415 0.2 . 1 . . . . . . . . 6314 1 972 . 1 1 100 100 ILE H H 1 7.984 0.05 . 1 . . . . . . . . 6314 1 973 . 1 1 100 100 ILE N N 15 119.549 0.1 . 1 . . . . . . . . 6314 1 974 . 1 1 100 100 ILE CA C 13 59.422 0.2 . 1 . . . . . . . . 6314 1 975 . 1 1 100 100 ILE HA H 1 4.167 0.05 . 1 . . . . . . . . 6314 1 976 . 1 1 100 100 ILE C C 13 174.531 0.2 . 1 . . . . . . . . 6314 1 977 . 1 1 100 100 ILE CB C 13 36.734 0.2 . 1 . . . . . . . . 6314 1 978 . 1 1 100 100 ILE HB H 1 1.872 0.05 . 1 . . . . . . . . 6314 1 979 . 1 1 100 100 ILE CG2 C 13 19.023 0.2 . 1 . . . . . . . . 6314 1 980 . 1 1 100 100 ILE HG21 H 1 0.904 0.05 . 1 . . . . . . . . 6314 1 981 . 1 1 100 100 ILE HG22 H 1 0.904 0.05 . 1 . . . . . . . . 6314 1 982 . 1 1 100 100 ILE HG23 H 1 0.904 0.05 . 1 . . . . . . . . 6314 1 983 . 1 1 100 100 ILE HG12 H 1 1.441 0.05 . 1 . . . . . . . . 6314 1 984 . 1 1 100 100 ILE HG13 H 1 1.181 0.05 . 1 . . . . . . . . 6314 1 985 . 1 1 101 101 GLU H H 1 8.389 0.05 . 1 . . . . . . . . 6314 1 986 . 1 1 101 101 GLU N N 15 124.166 0.1 . 1 . . . . . . . . 6314 1 987 . 1 1 101 101 GLU CA C 13 54.678 0.2 . 1 . . . . . . . . 6314 1 988 . 1 1 101 101 GLU HA H 1 4.281 0.05 . 1 . . . . . . . . 6314 1 989 . 1 1 101 101 GLU C C 13 174.201 0.2 . 1 . . . . . . . . 6314 1 990 . 1 1 101 101 GLU CB C 13 27.649 0.2 . 1 . . . . . . . . 6314 1 991 . 1 1 101 101 GLU HB2 H 1 2.043 0.05 . 1 . . . . . . . . 6314 1 992 . 1 1 101 101 GLU HB3 H 1 1.966 0.05 . 1 . . . . . . . . 6314 1 993 . 1 1 102 102 ALA H H 1 8.159 0.05 . 1 . . . . . . . . 6314 1 994 . 1 1 102 102 ALA N N 15 124.381 0.1 . 1 . . . . . . . . 6314 1 995 . 1 1 102 102 ALA CA C 13 50.844 0.2 . 1 . . . . . . . . 6314 1 996 . 1 1 102 102 ALA HA H 1 4.299 0.05 . 1 . . . . . . . . 6314 1 997 . 1 1 102 102 ALA C C 13 176.047 0.2 . 1 . . . . . . . . 6314 1 998 . 1 1 102 102 ALA CB C 13 17.182 0.2 . 1 . . . . . . . . 6314 1 999 . 1 1 102 102 ALA HB1 H 1 1.394 0.05 . 1 . . . . . . . . 6314 1 1000 . 1 1 102 102 ALA HB2 H 1 1.394 0.05 . 1 . . . . . . . . 6314 1 1001 . 1 1 102 102 ALA HB3 H 1 1.394 0.05 . 1 . . . . . . . . 6314 1 1002 . 1 1 103 103 SER H H 1 8.085 0.05 . 1 . . . . . . . . 6314 1 1003 . 1 1 103 103 SER N N 15 113.947 0.1 . 1 . . . . . . . . 6314 1 1004 . 1 1 103 103 SER CA C 13 56.931 0.2 . 1 . . . . . . . . 6314 1 1005 . 1 1 103 103 SER HA H 1 4.417 0.05 . 1 . . . . . . . . 6314 1 1006 . 1 1 103 103 SER C C 13 173.167 0.2 . 1 . . . . . . . . 6314 1 1007 . 1 1 103 103 SER CB C 13 61.731 0.2 . 1 . . . . . . . . 6314 1 1008 . 1 1 103 103 SER HB2 H 1 3.891 0.05 . 2 . . . . . . . . 6314 1 1009 . 1 1 104 104 VAL H H 1 7.915 0.05 . 1 . . . . . . . . 6314 1 1010 . 1 1 104 104 VAL N N 15 121.261 0.1 . 1 . . . . . . . . 6314 1 1011 . 1 1 104 104 VAL CA C 13 61.369 0.2 . 1 . . . . . . . . 6314 1 1012 . 1 1 104 104 VAL HA H 1 4.087 0.05 . 1 . . . . . . . . 6314 1 1013 . 1 1 104 104 VAL C C 13 174.589 0.2 . 1 . . . . . . . . 6314 1 1014 . 1 1 104 104 VAL CB C 13 30.630 0.2 . 1 . . . . . . . . 6314 1 1015 . 1 1 104 104 VAL HB H 1 2.114 0.05 . 1 . . . . . . . . 6314 1 1016 . 1 1 104 104 VAL HG11 H 1 0.923 0.05 . 2 . . . . . . . . 6314 1 1017 . 1 1 104 104 VAL HG12 H 1 0.923 0.05 . 2 . . . . . . . . 6314 1 1018 . 1 1 104 104 VAL HG13 H 1 0.923 0.05 . 2 . . . . . . . . 6314 1 1019 . 1 1 105 105 LYS H H 1 8.080 0.05 . 1 . . . . . . . . 6314 1 1020 . 1 1 105 105 LYS N N 15 122.805 0.1 . 1 . . . . . . . . 6314 1 1021 . 1 1 105 105 LYS CA C 13 55.014 0.2 . 1 . . . . . . . . 6314 1 1022 . 1 1 105 105 LYS HA H 1 4.277 0.05 . 1 . . . . . . . . 6314 1 1023 . 1 1 105 105 LYS C C 13 175.154 0.2 . 1 . . . . . . . . 6314 1 1024 . 1 1 105 105 LYS CB C 13 30.564 0.2 . 1 . . . . . . . . 6314 1 1025 . 1 1 105 105 LYS HB2 H 1 1.778 0.05 . 2 . . . . . . . . 6314 1 1026 . 1 1 106 106 VAL H H 1 7.839 0.05 . 1 . . . . . . . . 6314 1 1027 . 1 1 106 106 VAL N N 15 119.272 0.1 . 1 . . . . . . . . 6314 1 1028 . 1 1 106 106 VAL CA C 13 61.314 0.2 . 1 . . . . . . . . 6314 1 1029 . 1 1 106 106 VAL HA H 1 3.967 0.05 . 1 . . . . . . . . 6314 1 1030 . 1 1 106 106 VAL C C 13 174.342 0.2 . 1 . . . . . . . . 6314 1 1031 . 1 1 106 106 VAL CB C 13 30.498 0.2 . 1 . . . . . . . . 6314 1 1032 . 1 1 106 106 VAL HB H 1 2.059 0.05 . 1 . . . . . . . . 6314 1 1033 . 1 1 106 106 VAL CG1 C 13 19.023 0.2 . 1 . . . . . . . . 6314 1 1034 . 1 1 106 106 VAL HG11 H 1 0.935 0.05 . 2 . . . . . . . . 6314 1 1035 . 1 1 106 106 VAL HG12 H 1 0.935 0.05 . 2 . . . . . . . . 6314 1 1036 . 1 1 106 106 VAL HG13 H 1 0.935 0.05 . 2 . . . . . . . . 6314 1 1037 . 1 1 106 106 VAL CG2 C 13 19.023 0.2 . 1 . . . . . . . . 6314 1 1038 . 1 1 106 106 VAL HG21 H 1 0.887 0.05 . 2 . . . . . . . . 6314 1 1039 . 1 1 106 106 VAL HG22 H 1 0.887 0.05 . 2 . . . . . . . . 6314 1 1040 . 1 1 106 106 VAL HG23 H 1 0.887 0.05 . 2 . . . . . . . . 6314 1 1041 . 1 1 107 107 HIS H H 1 8.343 0.05 . 1 . . . . . . . . 6314 1 1042 . 1 1 107 107 HIS N N 15 120.261 0.1 . 1 . . . . . . . . 6314 1 1043 . 1 1 107 107 HIS CA C 13 54.693 0.2 . 1 . . . . . . . . 6314 1 1044 . 1 1 107 107 HIS HA H 1 4.550 0.05 . 1 . . . . . . . . 6314 1 1045 . 1 1 107 107 HIS C C 13 172.838 0.2 . 1 . . . . . . . . 6314 1 1046 . 1 1 107 107 HIS CB C 13 26.655 0.2 . 1 . . . . . . . . 6314 1 1047 . 1 1 107 107 HIS HB2 H 1 3.298 0.05 . 1 . . . . . . . . 6314 1 1048 . 1 1 107 107 HIS HB3 H 1 3.239 0.05 . 1 . . . . . . . . 6314 1 1049 . 1 1 108 108 GLN H H 1 8.232 0.05 . 1 . . . . . . . . 6314 1 1050 . 1 1 108 108 GLN N N 15 119.932 0.1 . 1 . . . . . . . . 6314 1 1051 . 1 1 108 108 GLN CA C 13 55.009 0.2 . 1 . . . . . . . . 6314 1 1052 . 1 1 108 108 GLN HA H 1 4.227 0.05 . 1 . . . . . . . . 6314 1 1053 . 1 1 108 108 GLN C C 13 174.237 0.2 . 1 . . . . . . . . 6314 1 1054 . 1 1 108 108 GLN CB C 13 27.251 0.2 . 1 . . . . . . . . 6314 1 1055 . 1 1 108 108 GLN HB2 H 1 2.068 0.05 . 2 . . . . . . . . 6314 1 1056 . 1 1 109 109 LEU H H 1 8.085 0.05 . 1 . . . . . . . . 6314 1 1057 . 1 1 109 109 LEU N N 15 122.316 0.1 . 1 . . . . . . . . 6314 1 1058 . 1 1 109 109 LEU CA C 13 54.016 0.2 . 1 . . . . . . . . 6314 1 1059 . 1 1 109 109 LEU HA H 1 4.274 0.05 . 1 . . . . . . . . 6314 1 1060 . 1 1 109 109 LEU C C 13 175.365 0.2 . 1 . . . . . . . . 6314 1 1061 . 1 1 109 109 LEU CB C 13 40.302 0.2 . 1 . . . . . . . . 6314 1 1062 . 1 1 109 109 LEU HB2 H 1 1.632 0.05 . 2 . . . . . . . . 6314 1 1063 . 1 1 110 110 LEU H H 1 8.064 0.05 . 1 . . . . . . . . 6314 1 1064 . 1 1 110 110 LEU N N 15 121.567 0.1 . 1 . . . . . . . . 6314 1 1065 . 1 1 110 110 LEU CA C 13 54.148 0.2 . 1 . . . . . . . . 6314 1 1066 . 1 1 110 110 LEU HA H 1 4.314 0.05 . 1 . . . . . . . . 6314 1 1067 . 1 1 110 110 LEU C C 13 175.024 0.2 . 1 . . . . . . . . 6314 1 1068 . 1 1 110 110 LEU CB C 13 40.170 0.2 . 1 . . . . . . . . 6314 1 1069 . 1 1 110 110 LEU HB2 H 1 1.735 0.05 . 2 . . . . . . . . 6314 1 1070 . 1 1 111 111 VAL H H 1 7.859 0.05 . 1 . . . . . . . . 6314 1 1071 . 1 1 111 111 VAL N N 15 119.659 0.1 . 1 . . . . . . . . 6314 1 1072 . 1 1 111 111 VAL CA C 13 61.237 0.2 . 1 . . . . . . . . 6314 1 1073 . 1 1 111 111 VAL HA H 1 4.051 0.05 . 1 . . . . . . . . 6314 1 1074 . 1 1 111 111 VAL C C 13 174.730 0.2 . 1 . . . . . . . . 6314 1 1075 . 1 1 111 111 VAL CB C 13 30.564 0.2 . 1 . . . . . . . . 6314 1 1076 . 1 1 111 111 VAL HB H 1 2.048 0.05 . 1 . . . . . . . . 6314 1 1077 . 1 1 111 111 VAL HG11 H 1 0.883 0.05 . 2 . . . . . . . . 6314 1 1078 . 1 1 111 111 VAL HG12 H 1 0.883 0.05 . 2 . . . . . . . . 6314 1 1079 . 1 1 111 111 VAL HG13 H 1 0.883 0.05 . 2 . . . . . . . . 6314 1 1080 . 1 1 112 112 GLN H H 1 8.184 0.05 . 1 . . . . . . . . 6314 1 1081 . 1 1 112 112 GLN N N 15 122.473 0.1 . 1 . . . . . . . . 6314 1 1082 . 1 1 112 112 GLN CA C 13 54.550 0.2 . 1 . . . . . . . . 6314 1 1083 . 1 1 112 112 GLN HA H 1 4.311 0.05 . 1 . . . . . . . . 6314 1 1084 . 1 1 112 112 GLN C C 13 176.317 0.2 . 1 . . . . . . . . 6314 1 1085 . 1 1 112 112 GLN CB C 13 27.251 0.2 . 1 . . . . . . . . 6314 1 1086 . 1 1 112 112 GLN HB2 H 1 2.085 0.05 . 2 . . . . . . . . 6314 1 1087 . 1 1 113 113 LEU H H 1 8.137 0.05 . 1 . . . . . . . . 6314 1 1088 . 1 1 113 113 LEU N N 15 121.843 0.1 . 1 . . . . . . . . 6314 1 1089 . 1 1 113 113 LEU CA C 13 53.605 0.2 . 1 . . . . . . . . 6314 1 1090 . 1 1 113 113 LEU HA H 1 4.321 0.05 . 1 . . . . . . . . 6314 1 1091 . 1 1 113 113 LEU C C 13 175.718 0.2 . 1 . . . . . . . . 6314 1 1092 . 1 1 113 113 LEU CB C 13 40.567 0.2 . 1 . . . . . . . . 6314 1 1093 . 1 1 113 113 LEU HB2 H 1 1.667 0.05 . 1 . . . . . . . . 6314 1 1094 . 1 1 113 113 LEU HB3 H 1 1.556 0.05 . 1 . . . . . . . . 6314 1 1095 . 1 1 114 114 GLY H H 1 8.178 0.05 . 1 . . . . . . . . 6314 1 1096 . 1 1 114 114 GLY N N 15 108.183 0.1 . 1 . . . . . . . . 6314 1 1097 . 1 1 114 114 GLY CA C 13 43.408 0.2 . 1 . . . . . . . . 6314 1 1098 . 1 1 114 114 GLY HA2 H 1 3.965 0.05 . 1 . . . . . . . . 6314 1 1099 . 1 1 114 114 GLY HA3 H 1 3.881 0.05 . 1 . . . . . . . . 6314 1 1100 . 1 1 114 114 GLY C C 13 171.663 0.2 . 1 . . . . . . . . 6314 1 1101 . 1 1 115 115 TYR H H 1 7.811 0.05 . 1 . . . . . . . . 6314 1 1102 . 1 1 115 115 TYR N N 15 119.476 0.1 . 1 . . . . . . . . 6314 1 1103 . 1 1 115 115 TYR CA C 13 55.539 0.2 . 1 . . . . . . . . 6314 1 1104 . 1 1 115 115 TYR HA H 1 4.552 0.05 . 1 . . . . . . . . 6314 1 1105 . 1 1 115 115 TYR C C 13 172.333 0.2 . 1 . . . . . . . . 6314 1 1106 . 1 1 115 115 TYR CB C 13 37.122 0.2 . 1 . . . . . . . . 6314 1 1107 . 1 1 115 115 TYR HB2 H 1 2.940 0.05 . 2 . . . . . . . . 6314 1 1108 . 1 1 116 116 ASP H H 1 8.164 0.05 . 1 . . . . . . . . 6314 1 1109 . 1 1 116 116 ASP N N 15 123.294 0.1 . 1 . . . . . . . . 6314 1 1110 . 1 1 116 116 ASP CA C 13 49.047 0.2 . 1 . . . . . . . . 6314 1 1111 . 1 1 116 116 ASP CB C 13 39.441 0.2 . 1 . . . . . . . . 6314 1 1112 . 1 1 117 117 PRO CA C 13 61.536 0.2 . 1 . . . . . . . . 6314 1 1113 . 1 1 117 117 PRO HA H 1 4.339 0.05 . 1 . . . . . . . . 6314 1 1114 . 1 1 117 117 PRO C C 13 174.965 0.2 . 1 . . . . . . . . 6314 1 1115 . 1 1 117 117 PRO HB2 H 1 2.277 0.05 . 1 . . . . . . . . 6314 1 1116 . 1 1 117 117 PRO HB3 H 1 1.961 0.05 . 1 . . . . . . . . 6314 1 1117 . 1 1 118 118 LEU H H 1 8.134 0.05 . 1 . . . . . . . . 6314 1 1118 . 1 1 118 118 LEU N N 15 119.460 0.1 . 1 . . . . . . . . 6314 1 1119 . 1 1 118 118 LEU CA C 13 53.366 0.2 . 1 . . . . . . . . 6314 1 1120 . 1 1 118 118 LEU HA H 1 4.306 0.05 . 1 . . . . . . . . 6314 1 1121 . 1 1 118 118 LEU C C 13 173.226 0.2 . 1 . . . . . . . . 6314 1 1122 . 1 1 118 118 LEU CB C 13 39.706 0.2 . 1 . . . . . . . . 6314 1 1123 . 1 1 118 118 LEU HB2 H 1 1.743 0.05 . 1 . . . . . . . . 6314 1 1124 . 1 1 118 118 LEU HB3 H 1 1.602 0.05 . 1 . . . . . . . . 6314 1 1125 . 1 1 119 119 LYS H H 1 7.753 0.05 . 1 . . . . . . . . 6314 1 1126 . 1 1 119 119 LYS N N 15 120.542 0.1 . 1 . . . . . . . . 6314 1 1127 . 1 1 119 119 LYS CA C 13 54.170 0.2 . 1 . . . . . . . . 6314 1 1128 . 1 1 119 119 LYS HA H 1 4.340 0.05 . 1 . . . . . . . . 6314 1 1129 . 1 1 119 119 LYS C C 13 173.285 0.2 . 1 . . . . . . . . 6314 1 1130 . 1 1 119 119 LYS CB C 13 31.359 0.2 . 1 . . . . . . . . 6314 1 1131 . 1 1 119 119 LYS HB2 H 1 1.868 0.05 . 1 . . . . . . . . 6314 1 1132 . 1 1 119 119 LYS HB3 H 1 1.709 0.05 . 1 . . . . . . . . 6314 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 136 6314 1 1 135 6314 1 2 303 6314 1 2 302 6314 1 3 313 6314 1 3 312 6314 1 4 380 6314 1 4 379 6314 1 5 440 6314 1 5 439 6314 1 6 460 6314 1 6 459 6314 1 6 458 6314 1 6 457 6314 1 7 697 6314 1 7 696 6314 1 7 695 6314 1 7 694 6314 1 8 751 6314 1 8 750 6314 1 8 749 6314 1 8 748 6314 1 9 809 6314 1 9 808 6314 1 10 841 6314 1 10 840 6314 1 11 965 6314 1 11 964 6314 1 stop_ save_