data_6138 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6138 _Entry.Title ; Hypothetical protein At2g24940.1 from Arabidopsis thaliana has a cytochrome b5 like fold ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-03-01 _Entry.Accession_date 2004-03-10 _Entry.Last_release_date . _Entry.Original_release_date . _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 Jikui Song . . . 6138 2 Dmitriy Vinarov . A. . 6138 3 Ejan Tyler . M. . 6138 4 Mark Shahan . N. . 6138 5 Robert Tyler . C. . 6138 6 John Markley . L. . 6138 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6138 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 619 6138 '13C chemical shifts' 390 6138 '15N chemical shifts' 110 6138 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 . . 2004-11-29 . update BMRB 'updated citation' 6138 2 . . 2004-07-26 . original author 'Original Release' 6138 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6138 _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 'Hypothetical protein At2g24940.1 from Arabidopsis thaliana has a cytochrome b5 like fold' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 215 _Citation.Page_last 218 _Citation.Year 2004 _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 Jikui Song . . . 6138 1 2 Dmitriy Vinarov . A. . 6138 1 3 Ejan Tyler . M. . 6138 1 4 Mark Shahan . N. . 6138 1 5 Robert Tyler . C. . 6138 1 6 John Markley . L. . 6138 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system _Assembly.Entry_ID 6138 _Assembly.ID 1 _Assembly.Name At2g24940 _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 6138 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 At2g24940 1 $At2g24940 . . . native . . . . . 6138 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1T0G . . . . . . 6138 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID At2g24940 system 6138 1 At2g24940 abbreviation 6138 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_At2g24940 _Entity.Sf_category entity _Entity.Sf_framecode At2g24940 _Entity.Entry_ID 6138 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name At2g24940 _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 ; MGHHHHHHLEEFTAEQLSQY NGTDESKPIYVAIKGRVFDV TTGKSFYGSGGDYSMFAGKD ASRALGKMSKNEEDVSPSLE GLTEKEINTLNDWETKFEAK YPVVGRVVS ; _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 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1J03 . "Solution Structure Of A Putative Steroid-Binding Protein From Arabidopsis" . . . . . 90.83 102 100.00 100.00 5.99e-65 . . . . 6138 1 2 no PDB 1T0G . "Hypothetical Protein At2g24940.1 From Arabidopsis Thaliana Has A Cytochrome B5 Like Fold" . . . . . 100.00 109 100.00 100.00 6.29e-74 . . . . 6138 1 3 no GB AAD23019 . "putative steroid binding protein [Arabidopsis thaliana]" . . . . . 90.83 100 100.00 100.00 3.41e-65 . . . . 6138 1 4 no GB AAM60885 . "putative steroid binding protein [Arabidopsis thaliana]" . . . . . 90.83 100 100.00 100.00 3.41e-65 . . . . 6138 1 5 no GB AAO00806 . "putative steroid binding protein [Arabidopsis thaliana]" . . . . . 90.83 100 100.00 100.00 3.41e-65 . . . . 6138 1 6 no GB AAP37797 . "At2g24940 [Arabidopsis thaliana]" . . . . . 90.83 100 100.00 100.00 3.41e-65 . . . . 6138 1 7 no GB AEC07640 . "membrane-associated progesterone binding protein 2 [Arabidopsis thaliana]" . . . . . 90.83 100 100.00 100.00 3.41e-65 . . . . 6138 1 8 no REF NP_180066 . "uncharacterized protein [Arabidopsis thaliana]" . . . . . 90.83 100 100.00 100.00 3.41e-65 . . . . 6138 1 9 no REF XP_002878810 . "membrane-associated progesterone binding protein 2 [Arabidopsis lyrata subsp. lyrata]" . . . . . 90.83 100 98.99 100.00 1.13e-64 . . . . 6138 1 10 no SP Q9SK39 . "RecName: Full=Probable steroid-binding protein 3; Short=AtMP3; AltName: Full=Membrane-associated progesterone-binding protein 2" . . . . . 90.83 100 100.00 100.00 3.41e-65 . . . . 6138 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID At2g24940 common 6138 1 At2g24940 abbreviation 6138 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 1 MET . 6138 1 2 2 GLY . 6138 1 3 3 HIS . 6138 1 4 4 HIS . 6138 1 5 5 HIS . 6138 1 6 6 HIS . 6138 1 7 7 HIS . 6138 1 8 8 HIS . 6138 1 9 9 LEU . 6138 1 10 10 GLU . 6138 1 11 11 GLU . 6138 1 12 12 PHE . 6138 1 13 13 THR . 6138 1 14 14 ALA . 6138 1 15 15 GLU . 6138 1 16 16 GLN . 6138 1 17 17 LEU . 6138 1 18 18 SER . 6138 1 19 19 GLN . 6138 1 20 20 TYR . 6138 1 21 21 ASN . 6138 1 22 22 GLY . 6138 1 23 23 THR . 6138 1 24 24 ASP . 6138 1 25 25 GLU . 6138 1 26 26 SER . 6138 1 27 27 LYS . 6138 1 28 28 PRO . 6138 1 29 29 ILE . 6138 1 30 30 TYR . 6138 1 31 31 VAL . 6138 1 32 32 ALA . 6138 1 33 33 ILE . 6138 1 34 34 LYS . 6138 1 35 35 GLY . 6138 1 36 36 ARG . 6138 1 37 37 VAL . 6138 1 38 38 PHE . 6138 1 39 39 ASP . 6138 1 40 40 VAL . 6138 1 41 41 THR . 6138 1 42 42 THR . 6138 1 43 43 GLY . 6138 1 44 44 LYS . 6138 1 45 45 SER . 6138 1 46 46 PHE . 6138 1 47 47 TYR . 6138 1 48 48 GLY . 6138 1 49 49 SER . 6138 1 50 50 GLY . 6138 1 51 51 GLY . 6138 1 52 52 ASP . 6138 1 53 53 TYR . 6138 1 54 54 SER . 6138 1 55 55 MET . 6138 1 56 56 PHE . 6138 1 57 57 ALA . 6138 1 58 58 GLY . 6138 1 59 59 LYS . 6138 1 60 60 ASP . 6138 1 61 61 ALA . 6138 1 62 62 SER . 6138 1 63 63 ARG . 6138 1 64 64 ALA . 6138 1 65 65 LEU . 6138 1 66 66 GLY . 6138 1 67 67 LYS . 6138 1 68 68 MET . 6138 1 69 69 SER . 6138 1 70 70 LYS . 6138 1 71 71 ASN . 6138 1 72 72 GLU . 6138 1 73 73 GLU . 6138 1 74 74 ASP . 6138 1 75 75 VAL . 6138 1 76 76 SER . 6138 1 77 77 PRO . 6138 1 78 78 SER . 6138 1 79 79 LEU . 6138 1 80 80 GLU . 6138 1 81 81 GLY . 6138 1 82 82 LEU . 6138 1 83 83 THR . 6138 1 84 84 GLU . 6138 1 85 85 LYS . 6138 1 86 86 GLU . 6138 1 87 87 ILE . 6138 1 88 88 ASN . 6138 1 89 89 THR . 6138 1 90 90 LEU . 6138 1 91 91 ASN . 6138 1 92 92 ASP . 6138 1 93 93 TRP . 6138 1 94 94 GLU . 6138 1 95 95 THR . 6138 1 96 96 LYS . 6138 1 97 97 PHE . 6138 1 98 98 GLU . 6138 1 99 99 ALA . 6138 1 100 100 LYS . 6138 1 101 101 TYR . 6138 1 102 102 PRO . 6138 1 103 103 VAL . 6138 1 104 104 VAL . 6138 1 105 105 GLY . 6138 1 106 106 ARG . 6138 1 107 107 VAL . 6138 1 108 108 VAL . 6138 1 109 109 SER . 6138 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 6138 1 . GLY 2 2 6138 1 . HIS 3 3 6138 1 . HIS 4 4 6138 1 . HIS 5 5 6138 1 . HIS 6 6 6138 1 . HIS 7 7 6138 1 . HIS 8 8 6138 1 . LEU 9 9 6138 1 . GLU 10 10 6138 1 . GLU 11 11 6138 1 . PHE 12 12 6138 1 . THR 13 13 6138 1 . ALA 14 14 6138 1 . GLU 15 15 6138 1 . GLN 16 16 6138 1 . LEU 17 17 6138 1 . SER 18 18 6138 1 . GLN 19 19 6138 1 . TYR 20 20 6138 1 . ASN 21 21 6138 1 . GLY 22 22 6138 1 . THR 23 23 6138 1 . ASP 24 24 6138 1 . GLU 25 25 6138 1 . SER 26 26 6138 1 . LYS 27 27 6138 1 . PRO 28 28 6138 1 . ILE 29 29 6138 1 . TYR 30 30 6138 1 . VAL 31 31 6138 1 . ALA 32 32 6138 1 . ILE 33 33 6138 1 . LYS 34 34 6138 1 . GLY 35 35 6138 1 . ARG 36 36 6138 1 . VAL 37 37 6138 1 . PHE 38 38 6138 1 . ASP 39 39 6138 1 . VAL 40 40 6138 1 . THR 41 41 6138 1 . THR 42 42 6138 1 . GLY 43 43 6138 1 . LYS 44 44 6138 1 . SER 45 45 6138 1 . PHE 46 46 6138 1 . TYR 47 47 6138 1 . GLY 48 48 6138 1 . SER 49 49 6138 1 . GLY 50 50 6138 1 . GLY 51 51 6138 1 . ASP 52 52 6138 1 . TYR 53 53 6138 1 . SER 54 54 6138 1 . MET 55 55 6138 1 . PHE 56 56 6138 1 . ALA 57 57 6138 1 . GLY 58 58 6138 1 . LYS 59 59 6138 1 . ASP 60 60 6138 1 . ALA 61 61 6138 1 . SER 62 62 6138 1 . ARG 63 63 6138 1 . ALA 64 64 6138 1 . LEU 65 65 6138 1 . GLY 66 66 6138 1 . LYS 67 67 6138 1 . MET 68 68 6138 1 . SER 69 69 6138 1 . LYS 70 70 6138 1 . ASN 71 71 6138 1 . GLU 72 72 6138 1 . GLU 73 73 6138 1 . ASP 74 74 6138 1 . VAL 75 75 6138 1 . SER 76 76 6138 1 . PRO 77 77 6138 1 . SER 78 78 6138 1 . LEU 79 79 6138 1 . GLU 80 80 6138 1 . GLY 81 81 6138 1 . LEU 82 82 6138 1 . THR 83 83 6138 1 . GLU 84 84 6138 1 . LYS 85 85 6138 1 . GLU 86 86 6138 1 . ILE 87 87 6138 1 . ASN 88 88 6138 1 . THR 89 89 6138 1 . LEU 90 90 6138 1 . ASN 91 91 6138 1 . ASP 92 92 6138 1 . TRP 93 93 6138 1 . GLU 94 94 6138 1 . THR 95 95 6138 1 . LYS 96 96 6138 1 . PHE 97 97 6138 1 . GLU 98 98 6138 1 . ALA 99 99 6138 1 . LYS 100 100 6138 1 . TYR 101 101 6138 1 . PRO 102 102 6138 1 . VAL 103 103 6138 1 . VAL 104 104 6138 1 . GLY 105 105 6138 1 . ARG 106 106 6138 1 . VAL 107 107 6138 1 . VAL 108 108 6138 1 . SER 109 109 6138 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 6138 _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 $At2g24940 . 3702 organism . 'Arabidopsis thaliana' 'thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 6138 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 6138 _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 $At2g24940 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6138 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6138 _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 At2g24940 . . . 1 $At2g24940 . . 0.5 . . mM . . . . 6138 1 2 KH2PO4 . . . . . . . 10 . . mM . . . . 6138 1 3 KCl . . . . . . . 50 . . mM . . . . 6138 1 4 NaN3 . . . . . . . 0.02 . . mM . . . . 6138 1 5 DSS . . . . . . . 1 . . mM . . . . 6138 1 6 H2O . . . . . . . 90 . . % . . . . 6138 1 7 D2O . . . . . . . 10 . . % . . . . 6138 1 stop_ save_ ####################### # Sample conditions # ####################### save_Conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Conditions_1 _Sample_condition_list.Entry_ID 6138 _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 7.0 . n/a 6138 1 temperature 298 . K 6138 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6138 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6138 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DMX . 500 . . . 6138 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 6138 _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 . . . . . . . . . . . . 1 $sample_1 . . . 1 $Conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6138 1 stop_ 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 6138 _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 0.00 external direct 1.00000 . . . 1 $entry_citation . . 1 $entry_citation 6138 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external direct 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6138 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 external direct 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6138 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 6138 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6138 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY CA C 13 45.451 0.000 . 2 . . . A 2 . . . 6138 1 2 . 1 1 2 2 GLY H H 1 8.301 0.000 . 2 . . . A 2 . . . 6138 1 3 . 1 1 2 2 GLY N N 15 115.282 0.000 . 2 . . . A 2 . . . 6138 1 4 . 1 1 8 8 HIS C C 13 173.921 0.000 . 2 . . . A 8 . . . 6138 1 5 . 1 1 8 8 HIS CA C 13 55.777 0.048 . 2 . . . A 8 . . . 6138 1 6 . 1 1 8 8 HIS CB C 13 29.661 0.082 . 2 . . . A 8 . . . 6138 1 7 . 1 1 8 8 HIS HA H 1 4.585 0.007 . 2 . . . A 8 . . . 6138 1 8 . 1 1 8 8 HIS HB3 H 1 3.132 0.007 . 2 . . . A 8 . . . 6138 1 9 . 1 1 8 8 HIS H H 1 8.556 0.000 . 2 . . . A 8 . . . 6138 1 10 . 1 1 8 8 HIS N N 15 122.149 0.000 . 2 . . . A 8 . . . 6138 1 11 . 1 1 9 9 LEU C C 13 176.172 0.000 . 2 . . . A 9 . . . 6138 1 12 . 1 1 9 9 LEU CA C 13 54.361 0.034 . 2 . . . A 9 . . . 6138 1 13 . 1 1 9 9 LEU CB C 13 42.843 0.037 . 2 . . . A 9 . . . 6138 1 14 . 1 1 9 9 LEU CD1 C 13 25.230 0.043 . 2 . . . A 9 . . . 6138 1 15 . 1 1 9 9 LEU CD2 C 13 23.464 0.132 . 2 . . . A 9 . . . 6138 1 16 . 1 1 9 9 LEU CG C 13 26.795 0.029 . 2 . . . A 9 . . . 6138 1 17 . 1 1 9 9 LEU HA H 1 4.259 0.006 . 2 . . . A 9 . . . 6138 1 18 . 1 1 9 9 LEU HB2 H 1 1.557 0.009 . 2 . . . A 9 . . . 6138 1 19 . 1 1 9 9 LEU HB3 H 1 1.176 0.006 . 2 . . . A 9 . . . 6138 1 20 . 1 1 9 9 LEU HG H 1 1.466 0.006 . 2 . . . A 9 . . . 6138 1 21 . 1 1 9 9 LEU H H 1 8.264 0.003 . 2 . . . A 9 . . . 6138 1 22 . 1 1 9 9 LEU N N 15 125.584 0.119 . 2 . . . A 9 . . . 6138 1 23 . 1 1 9 9 LEU HD11 H 1 0.754 0.009 . 2 . . . A 9 . . . 6138 1 24 . 1 1 9 9 LEU HD12 H 1 0.754 0.009 . 2 . . . A 9 . . . 6138 1 25 . 1 1 9 9 LEU HD13 H 1 0.754 0.009 . 2 . . . A 9 . . . 6138 1 26 . 1 1 9 9 LEU HD21 H 1 0.654 0.011 . 2 . . . A 9 . . . 6138 1 27 . 1 1 9 9 LEU HD22 H 1 0.654 0.011 . 2 . . . A 9 . . . 6138 1 28 . 1 1 9 9 LEU HD23 H 1 0.654 0.011 . 2 . . . A 9 . . . 6138 1 29 . 1 1 10 10 GLU C C 13 174.761 0.000 . 2 . . . A 10 . . . 6138 1 30 . 1 1 10 10 GLU CA C 13 55.991 0.075 . 2 . . . A 10 . . . 6138 1 31 . 1 1 10 10 GLU CB C 13 31.366 0.021 . 2 . . . A 10 . . . 6138 1 32 . 1 1 10 10 GLU CG C 13 35.912 0.065 . 2 . . . A 10 . . . 6138 1 33 . 1 1 10 10 GLU HA H 1 4.199 0.004 . 2 . . . A 10 . . . 6138 1 34 . 1 1 10 10 GLU HB2 H 1 1.690 0.022 . 2 . . . A 10 . . . 6138 1 35 . 1 1 10 10 GLU HB3 H 1 1.740 0.017 . 2 . . . A 10 . . . 6138 1 36 . 1 1 10 10 GLU HG2 H 1 1.986 0.029 . 2 . . . A 10 . . . 6138 1 37 . 1 1 10 10 GLU HG3 H 1 2.102 0.003 . 2 . . . A 10 . . . 6138 1 38 . 1 1 10 10 GLU H H 1 8.015 0.004 . 2 . . . A 10 . . . 6138 1 39 . 1 1 10 10 GLU N N 15 124.436 0.101 . 2 . . . A 10 . . . 6138 1 40 . 1 1 11 11 GLU C C 13 175.456 0.000 . 2 . . . A 11 . . . 6138 1 41 . 1 1 11 11 GLU CA C 13 55.219 0.036 . 2 . . . A 11 . . . 6138 1 42 . 1 1 11 11 GLU CB C 13 31.346 0.034 . 2 . . . A 11 . . . 6138 1 43 . 1 1 11 11 GLU CG C 13 36.890 0.063 . 2 . . . A 11 . . . 6138 1 44 . 1 1 11 11 GLU HA H 1 4.860 0.016 . 2 . . . A 11 . . . 6138 1 45 . 1 1 11 11 GLU HB2 H 1 1.813 0.008 . 2 . . . A 11 . . . 6138 1 46 . 1 1 11 11 GLU HG2 H 1 1.964 0.006 . 2 . . . A 11 . . . 6138 1 47 . 1 1 11 11 GLU HG3 H 1 2.288 0.003 . 2 . . . A 11 . . . 6138 1 48 . 1 1 11 11 GLU H H 1 8.191 0.003 . 2 . . . A 11 . . . 6138 1 49 . 1 1 11 11 GLU N N 15 122.789 0.099 . 2 . . . A 11 . . . 6138 1 50 . 1 1 12 12 PHE C C 13 176.734 0.000 . 2 . . . A 12 . . . 6138 1 51 . 1 1 12 12 PHE CA C 13 56.272 0.040 . 2 . . . A 12 . . . 6138 1 52 . 1 1 12 12 PHE CB C 13 43.327 0.042 . 2 . . . A 12 . . . 6138 1 53 . 1 1 12 12 PHE HA H 1 5.188 0.008 . 2 . . . A 12 . . . 6138 1 54 . 1 1 12 12 PHE HB2 H 1 2.534 0.006 . 2 . . . A 12 . . . 6138 1 55 . 1 1 12 12 PHE HB3 H 1 3.143 0.005 . 2 . . . A 12 . . . 6138 1 56 . 1 1 12 12 PHE H H 1 8.854 0.006 . 2 . . . A 12 . . . 6138 1 57 . 1 1 12 12 PHE N N 15 121.804 0.099 . 2 . . . A 12 . . . 6138 1 58 . 1 1 12 12 PHE HD1 H 1 6.942 0.007 . 4 . . . A 12 . . . 6138 1 59 . 1 1 12 12 PHE HE1 H 1 6.788 0.012 . 4 . . . A 12 . . . 6138 1 60 . 1 1 13 13 THR CA C 13 60.467 0.058 . 2 . . . A 13 . . . 6138 1 61 . 1 1 13 13 THR CB C 13 71.211 0.151 . 2 . . . A 13 . . . 6138 1 62 . 1 1 13 13 THR CG2 C 13 22.008 0.084 . 2 . . . A 13 . . . 6138 1 63 . 1 1 13 13 THR HA H 1 5.048 0.009 . 2 . . . A 13 . . . 6138 1 64 . 1 1 13 13 THR HB H 1 4.865 0.009 . 2 . . . A 13 . . . 6138 1 65 . 1 1 13 13 THR H H 1 8.758 0.009 . 2 . . . A 13 . . . 6138 1 66 . 1 1 13 13 THR N N 15 113.879 0.103 . 2 . . . A 13 . . . 6138 1 67 . 1 1 13 13 THR HG21 H 1 1.310 0.005 . 1 . . . A 13 . . . 6138 1 68 . 1 1 13 13 THR HG22 H 1 1.310 0.005 . 1 . . . A 13 . . . 6138 1 69 . 1 1 13 13 THR HG23 H 1 1.310 0.005 . 1 . . . A 13 . . . 6138 1 70 . 1 1 14 14 ALA C C 13 181.272 0.000 . 2 . . . A 14 . . . 6138 1 71 . 1 1 14 14 ALA CA C 13 55.878 0.040 . 2 . . . A 14 . . . 6138 1 72 . 1 1 14 14 ALA CB C 13 17.571 0.125 . 2 . . . A 14 . . . 6138 1 73 . 1 1 14 14 ALA HA H 1 3.996 0.004 . 2 . . . A 14 . . . 6138 1 74 . 1 1 14 14 ALA H H 1 9.566 0.004 . 2 . . . A 14 . . . 6138 1 75 . 1 1 14 14 ALA N N 15 125.909 0.094 . 2 . . . A 14 . . . 6138 1 76 . 1 1 14 14 ALA HB1 H 1 1.522 0.005 . 1 . . . A 14 . . . 6138 1 77 . 1 1 14 14 ALA HB2 H 1 1.522 0.005 . 1 . . . A 14 . . . 6138 1 78 . 1 1 14 14 ALA HB3 H 1 1.522 0.005 . 1 . . . A 14 . . . 6138 1 79 . 1 1 15 15 GLU C C 13 180.259 0.000 . 2 . . . A 15 . . . 6138 1 80 . 1 1 15 15 GLU CA C 13 59.743 0.073 . 2 . . . A 15 . . . 6138 1 81 . 1 1 15 15 GLU CB C 13 29.249 0.050 . 2 . . . A 15 . . . 6138 1 82 . 1 1 15 15 GLU CG C 13 36.420 0.052 . 2 . . . A 15 . . . 6138 1 83 . 1 1 15 15 GLU HA H 1 4.148 0.011 . 2 . . . A 15 . . . 6138 1 84 . 1 1 15 15 GLU HB2 H 1 1.988 0.003 . 2 . . . A 15 . . . 6138 1 85 . 1 1 15 15 GLU HB3 H 1 2.133 0.008 . 2 . . . A 15 . . . 6138 1 86 . 1 1 15 15 GLU HG2 H 1 2.330 0.008 . 2 . . . A 15 . . . 6138 1 87 . 1 1 15 15 GLU H H 1 8.786 0.006 . 2 . . . A 15 . . . 6138 1 88 . 1 1 15 15 GLU N N 15 119.996 0.093 . 2 . . . A 15 . . . 6138 1 89 . 1 1 16 16 GLN C C 13 179.744 0.000 . 2 . . . A 16 . . . 6138 1 90 . 1 1 16 16 GLN CA C 13 58.939 0.058 . 2 . . . A 16 . . . 6138 1 91 . 1 1 16 16 GLN CB C 13 29.353 0.036 . 2 . . . A 16 . . . 6138 1 92 . 1 1 16 16 GLN CG C 13 34.445 0.017 . 2 . . . A 16 . . . 6138 1 93 . 1 1 16 16 GLN HA H 1 4.193 0.006 . 2 . . . A 16 . . . 6138 1 94 . 1 1 16 16 GLN HB2 H 1 2.404 0.012 . 2 . . . A 16 . . . 6138 1 95 . 1 1 16 16 GLN HB3 H 1 2.643 0.014 . 2 . . . A 16 . . . 6138 1 96 . 1 1 16 16 GLN HE21 H 1 7.530 0.007 . 2 . . . A 16 . . . 6138 1 97 . 1 1 16 16 GLN HE22 H 1 6.841 0.036 . 2 . . . A 16 . . . 6138 1 98 . 1 1 16 16 GLN HG3 H 1 2.621 0.010 . 2 . . . A 16 . . . 6138 1 99 . 1 1 16 16 GLN H H 1 8.104 0.003 . 2 . . . A 16 . . . 6138 1 100 . 1 1 16 16 GLN N N 15 123.148 0.137 . 2 . . . A 16 . . . 6138 1 101 . 1 1 16 16 GLN NE2 N 15 111.428 0.066 . 2 . . . A 16 . . . 6138 1 102 . 1 1 17 17 LEU C C 13 177.800 0.000 . 2 . . . A 17 . . . 6138 1 103 . 1 1 17 17 LEU CA C 13 57.750 0.047 . 2 . . . A 17 . . . 6138 1 104 . 1 1 17 17 LEU CB C 13 42.149 0.036 . 2 . . . A 17 . . . 6138 1 105 . 1 1 17 17 LEU CD1 C 13 25.631 0.040 . 2 . . . A 17 . . . 6138 1 106 . 1 1 17 17 LEU CD2 C 13 25.616 0.028 . 2 . . . A 17 . . . 6138 1 107 . 1 1 17 17 LEU CG C 13 26.085 0.077 . 2 . . . A 17 . . . 6138 1 108 . 1 1 17 17 LEU HA H 1 4.007 0.006 . 2 . . . A 17 . . . 6138 1 109 . 1 1 17 17 LEU HB2 H 1 1.239 0.007 . 2 . . . A 17 . . . 6138 1 110 . 1 1 17 17 LEU HB3 H 1 1.980 0.008 . 2 . . . A 17 . . . 6138 1 111 . 1 1 17 17 LEU HG H 1 1.385 0.006 . 2 . . . A 17 . . . 6138 1 112 . 1 1 17 17 LEU H H 1 8.828 0.006 . 2 . . . A 17 . . . 6138 1 113 . 1 1 17 17 LEU N N 15 121.206 0.104 . 2 . . . A 17 . . . 6138 1 114 . 1 1 17 17 LEU HD11 H 1 0.464 0.017 . 2 . . . A 17 . . . 6138 1 115 . 1 1 17 17 LEU HD12 H 1 0.464 0.017 . 2 . . . A 17 . . . 6138 1 116 . 1 1 17 17 LEU HD13 H 1 0.464 0.017 . 2 . . . A 17 . . . 6138 1 117 . 1 1 17 17 LEU HD21 H 1 0.434 0.005 . 2 . . . A 17 . . . 6138 1 118 . 1 1 17 17 LEU HD22 H 1 0.434 0.005 . 2 . . . A 17 . . . 6138 1 119 . 1 1 17 17 LEU HD23 H 1 0.434 0.005 . 2 . . . A 17 . . . 6138 1 120 . 1 1 18 18 SER C C 13 175.114 0.000 . 2 . . . A 18 . . . 6138 1 121 . 1 1 18 18 SER CA C 13 61.041 0.076 . 2 . . . A 18 . . . 6138 1 122 . 1 1 18 18 SER CB C 13 63.478 0.093 . 2 . . . A 18 . . . 6138 1 123 . 1 1 18 18 SER HA H 1 4.875 0.003 . 2 . . . A 18 . . . 6138 1 124 . 1 1 18 18 SER HB2 H 1 4.098 0.006 . 2 . . . A 18 . . . 6138 1 125 . 1 1 18 18 SER H H 1 7.535 0.003 . 2 . . . A 18 . . . 6138 1 126 . 1 1 18 18 SER N N 15 111.936 0.111 . 2 . . . A 18 . . . 6138 1 127 . 1 1 19 19 GLN C C 13 177.027 0.000 . 2 . . . A 19 . . . 6138 1 128 . 1 1 19 19 GLN CA C 13 56.611 0.070 . 2 . . . A 19 . . . 6138 1 129 . 1 1 19 19 GLN CB C 13 28.740 0.041 . 2 . . . A 19 . . . 6138 1 130 . 1 1 19 19 GLN CG C 13 33.811 0.046 . 2 . . . A 19 . . . 6138 1 131 . 1 1 19 19 GLN HA H 1 4.156 0.006 . 2 . . . A 19 . . . 6138 1 132 . 1 1 19 19 GLN HB2 H 1 1.795 0.010 . 2 . . . A 19 . . . 6138 1 133 . 1 1 19 19 GLN HE21 H 1 7.500 0.006 . 2 . . . A 19 . . . 6138 1 134 . 1 1 19 19 GLN HE22 H 1 6.932 0.003 . 2 . . . A 19 . . . 6138 1 135 . 1 1 19 19 GLN HG2 H 1 2.307 0.004 . 2 . . . A 19 . . . 6138 1 136 . 1 1 19 19 GLN HG3 H 1 2.098 0.006 . 2 . . . A 19 . . . 6138 1 137 . 1 1 19 19 GLN H H 1 7.250 0.005 . 2 . . . A 19 . . . 6138 1 138 . 1 1 19 19 GLN N N 15 118.577 0.100 . 2 . . . A 19 . . . 6138 1 139 . 1 1 19 19 GLN NE2 N 15 112.989 0.050 . 2 . . . A 19 . . . 6138 1 140 . 1 1 20 20 TYR C C 13 175.669 0.000 . 2 . . . A 20 . . . 6138 1 141 . 1 1 20 20 TYR CA C 13 57.114 0.097 . 2 . . . A 20 . . . 6138 1 142 . 1 1 20 20 TYR CB C 13 35.986 0.053 . 2 . . . A 20 . . . 6138 1 143 . 1 1 20 20 TYR HA H 1 4.359 0.007 . 2 . . . A 20 . . . 6138 1 144 . 1 1 20 20 TYR HB2 H 1 2.767 0.014 . 2 . . . A 20 . . . 6138 1 145 . 1 1 20 20 TYR HB3 H 1 2.663 0.012 . 2 . . . A 20 . . . 6138 1 146 . 1 1 20 20 TYR H H 1 8.102 0.003 . 2 . . . A 20 . . . 6138 1 147 . 1 1 20 20 TYR N N 15 124.216 0.103 . 2 . . . A 20 . . . 6138 1 148 . 1 1 20 20 TYR HD1 H 1 7.079 0.006 . 4 . . . A 20 . . . 6138 1 149 . 1 1 20 20 TYR HE1 H 1 6.926 0.003 . 4 . . . A 20 . . . 6138 1 150 . 1 1 21 21 ASN C C 13 176.281 0.000 . 2 . . . A 21 . . . 6138 1 151 . 1 1 21 21 ASN CA C 13 52.217 0.056 . 2 . . . A 21 . . . 6138 1 152 . 1 1 21 21 ASN CB C 13 39.019 0.037 . 2 . . . A 21 . . . 6138 1 153 . 1 1 21 21 ASN HA H 1 4.466 0.007 . 2 . . . A 21 . . . 6138 1 154 . 1 1 21 21 ASN HB2 H 1 3.258 0.007 . 2 . . . A 21 . . . 6138 1 155 . 1 1 21 21 ASN HB3 H 1 2.772 0.007 . 2 . . . A 21 . . . 6138 1 156 . 1 1 21 21 ASN HD21 H 1 7.837 0.007 . 2 . . . A 21 . . . 6138 1 157 . 1 1 21 21 ASN HD22 H 1 7.000 0.001 . 2 . . . A 21 . . . 6138 1 158 . 1 1 21 21 ASN H H 1 7.301 0.003 . 2 . . . A 21 . . . 6138 1 159 . 1 1 21 21 ASN N N 15 116.122 0.111 . 2 . . . A 21 . . . 6138 1 160 . 1 1 21 21 ASN ND2 N 15 113.557 0.057 . 2 . . . A 21 . . . 6138 1 161 . 1 1 22 22 GLY C C 13 174.366 0.000 . 2 . . . A 22 . . . 6138 1 162 . 1 1 22 22 GLY CA C 13 45.378 0.089 . 2 . . . A 22 . . . 6138 1 163 . 1 1 22 22 GLY HA2 H 1 3.794 0.013 . 2 . . . A 22 . . . 6138 1 164 . 1 1 22 22 GLY HA3 H 1 4.194 0.006 . 2 . . . A 22 . . . 6138 1 165 . 1 1 22 22 GLY H H 1 9.014 0.004 . 2 . . . A 22 . . . 6138 1 166 . 1 1 22 22 GLY N N 15 109.392 0.099 . 2 . . . A 22 . . . 6138 1 167 . 1 1 23 23 THR C C 13 174.632 0.000 . 2 . . . A 23 . . . 6138 1 168 . 1 1 23 23 THR CA C 13 64.185 0.072 . 2 . . . A 23 . . . 6138 1 169 . 1 1 23 23 THR CB C 13 69.550 0.082 . 2 . . . A 23 . . . 6138 1 170 . 1 1 23 23 THR CG2 C 13 21.515 0.035 . 2 . . . A 23 . . . 6138 1 171 . 1 1 23 23 THR HA H 1 4.182 0.001 . 2 . . . A 23 . . . 6138 1 172 . 1 1 23 23 THR HB H 1 4.186 0.004 . 2 . . . A 23 . . . 6138 1 173 . 1 1 23 23 THR H H 1 7.826 0.003 . 2 . . . A 23 . . . 6138 1 174 . 1 1 23 23 THR N N 15 113.777 0.096 . 2 . . . A 23 . . . 6138 1 175 . 1 1 23 23 THR HG21 H 1 1.173 0.004 . 1 . . . A 23 . . . 6138 1 176 . 1 1 23 23 THR HG22 H 1 1.173 0.004 . 1 . . . A 23 . . . 6138 1 177 . 1 1 23 23 THR HG23 H 1 1.173 0.004 . 1 . . . A 23 . . . 6138 1 178 . 1 1 24 24 ASP C C 13 178.215 0.000 . 2 . . . A 24 . . . 6138 1 179 . 1 1 24 24 ASP CA C 13 52.363 0.049 . 2 . . . A 24 . . . 6138 1 180 . 1 1 24 24 ASP CB C 13 41.336 0.033 . 2 . . . A 24 . . . 6138 1 181 . 1 1 24 24 ASP HA H 1 4.850 0.011 . 2 . . . A 24 . . . 6138 1 182 . 1 1 24 24 ASP HB2 H 1 2.542 0.007 . 2 . . . A 24 . . . 6138 1 183 . 1 1 24 24 ASP HB3 H 1 3.004 0.007 . 2 . . . A 24 . . . 6138 1 184 . 1 1 24 24 ASP H H 1 8.692 0.003 . 2 . . . A 24 . . . 6138 1 185 . 1 1 24 24 ASP N N 15 124.178 0.090 . 2 . . . A 24 . . . 6138 1 186 . 1 1 25 25 GLU C C 13 176.639 0.000 . 2 . . . A 25 . . . 6138 1 187 . 1 1 25 25 GLU CA C 13 58.573 0.029 . 2 . . . A 25 . . . 6138 1 188 . 1 1 25 25 GLU CB C 13 29.512 0.024 . 2 . . . A 25 . . . 6138 1 189 . 1 1 25 25 GLU CG C 13 36.377 0.085 . 2 . . . A 25 . . . 6138 1 190 . 1 1 25 25 GLU HA H 1 4.122 0.007 . 2 . . . A 25 . . . 6138 1 191 . 1 1 25 25 GLU HB2 H 1 2.169 0.010 . 2 . . . A 25 . . . 6138 1 192 . 1 1 25 25 GLU HB3 H 1 2.058 0.005 . 2 . . . A 25 . . . 6138 1 193 . 1 1 25 25 GLU HG3 H 1 2.352 0.008 . 2 . . . A 25 . . . 6138 1 194 . 1 1 25 25 GLU H H 1 9.183 0.005 . 2 . . . A 25 . . . 6138 1 195 . 1 1 25 25 GLU N N 15 128.139 0.137 . 2 . . . A 25 . . . 6138 1 196 . 1 1 26 26 SER C C 13 174.274 0.000 . 2 . . . A 26 . . . 6138 1 197 . 1 1 26 26 SER CA C 13 59.438 0.092 . 2 . . . A 26 . . . 6138 1 198 . 1 1 26 26 SER CB C 13 64.084 0.077 . 2 . . . A 26 . . . 6138 1 199 . 1 1 26 26 SER HA H 1 4.442 0.004 . 2 . . . A 26 . . . 6138 1 200 . 1 1 26 26 SER HB2 H 1 3.908 0.005 . 2 . . . A 26 . . . 6138 1 201 . 1 1 26 26 SER HB3 H 1 4.028 0.010 . 2 . . . A 26 . . . 6138 1 202 . 1 1 26 26 SER H H 1 8.822 0.003 . 2 . . . A 26 . . . 6138 1 203 . 1 1 26 26 SER N N 15 116.063 0.096 . 2 . . . A 26 . . . 6138 1 204 . 1 1 27 27 LYS CA C 13 54.179 0.094 . 2 . . . A 27 . . . 6138 1 205 . 1 1 27 27 LYS CB C 13 34.380 0.022 . 2 . . . A 27 . . . 6138 1 206 . 1 1 27 27 LYS CE C 13 42.086 0.047 . 2 . . . A 27 . . . 6138 1 207 . 1 1 27 27 LYS CG C 13 26.046 0.070 . 2 . . . A 27 . . . 6138 1 208 . 1 1 27 27 LYS HA H 1 4.791 0.006 . 2 . . . A 27 . . . 6138 1 209 . 1 1 27 27 LYS HB2 H 1 1.859 0.010 . 2 . . . A 27 . . . 6138 1 210 . 1 1 27 27 LYS HE2 H 1 2.775 0.006 . 2 . . . A 27 . . . 6138 1 211 . 1 1 27 27 LYS HG2 H 1 1.429 0.018 . 2 . . . A 27 . . . 6138 1 212 . 1 1 27 27 LYS HG3 H 1 1.316 0.011 . 2 . . . A 27 . . . 6138 1 213 . 1 1 27 27 LYS H H 1 7.553 0.004 . 2 . . . A 27 . . . 6138 1 214 . 1 1 27 27 LYS N N 15 124.212 0.114 . 2 . . . A 27 . . . 6138 1 215 . 1 1 28 28 PRO C C 13 175.858 0.000 . 2 . . . A 28 . . . 6138 1 216 . 1 1 28 28 PRO CA C 13 62.321 0.133 . 2 . . . A 28 . . . 6138 1 217 . 1 1 28 28 PRO CB C 13 33.228 0.054 . 2 . . . A 28 . . . 6138 1 218 . 1 1 28 28 PRO CD C 13 50.427 0.099 . 2 . . . A 28 . . . 6138 1 219 . 1 1 28 28 PRO CG C 13 26.778 0.076 . 2 . . . A 28 . . . 6138 1 220 . 1 1 28 28 PRO HA H 1 4.648 0.012 . 2 . . . A 28 . . . 6138 1 221 . 1 1 28 28 PRO HB2 H 1 1.463 0.007 . 2 . . . A 28 . . . 6138 1 222 . 1 1 28 28 PRO HB3 H 1 2.265 0.009 . 2 . . . A 28 . . . 6138 1 223 . 1 1 28 28 PRO HD2 H 1 3.607 0.006 . 2 . . . A 28 . . . 6138 1 224 . 1 1 28 28 PRO HD3 H 1 3.851 0.012 . 2 . . . A 28 . . . 6138 1 225 . 1 1 28 28 PRO HG2 H 1 2.003 0.010 . 2 . . . A 28 . . . 6138 1 226 . 1 1 28 28 PRO HG3 H 1 1.535 0.015 . 2 . . . A 28 . . . 6138 1 227 . 1 1 29 29 ILE C C 13 174.156 0.000 . 2 . . . A 29 . . . 6138 1 228 . 1 1 29 29 ILE CA C 13 60.714 0.072 . 2 . . . A 29 . . . 6138 1 229 . 1 1 29 29 ILE CB C 13 39.463 0.054 . 2 . . . A 29 . . . 6138 1 230 . 1 1 29 29 ILE CD1 C 13 14.230 0.056 . 2 . . . A 29 . . . 6138 1 231 . 1 1 29 29 ILE CG1 C 13 27.531 0.071 . 2 . . . A 29 . . . 6138 1 232 . 1 1 29 29 ILE CG2 C 13 18.655 0.060 . 2 . . . A 29 . . . 6138 1 233 . 1 1 29 29 ILE HA H 1 3.864 0.009 . 2 . . . A 29 . . . 6138 1 234 . 1 1 29 29 ILE HB H 1 1.239 0.005 . 2 . . . A 29 . . . 6138 1 235 . 1 1 29 29 ILE HG12 H 1 1.741 0.007 . 2 . . . A 29 . . . 6138 1 236 . 1 1 29 29 ILE HG13 H 1 0.645 0.006 . 2 . . . A 29 . . . 6138 1 237 . 1 1 29 29 ILE H H 1 8.201 0.006 . 2 . . . A 29 . . . 6138 1 238 . 1 1 29 29 ILE N N 15 121.717 0.112 . 2 . . . A 29 . . . 6138 1 239 . 1 1 29 29 ILE HD11 H 1 0.889 0.003 . 1 . . . A 29 . . . 6138 1 240 . 1 1 29 29 ILE HD12 H 1 0.889 0.003 . 1 . . . A 29 . . . 6138 1 241 . 1 1 29 29 ILE HD13 H 1 0.889 0.003 . 1 . . . A 29 . . . 6138 1 242 . 1 1 29 29 ILE HG21 H 1 0.631 0.007 . 1 . . . A 29 . . . 6138 1 243 . 1 1 29 29 ILE HG22 H 1 0.631 0.007 . 1 . . . A 29 . . . 6138 1 244 . 1 1 29 29 ILE HG23 H 1 0.631 0.007 . 1 . . . A 29 . . . 6138 1 245 . 1 1 30 30 TYR C C 13 175.733 0.000 . 2 . . . A 30 . . . 6138 1 246 . 1 1 30 30 TYR CA C 13 51.953 0.037 . 2 . . . A 30 . . . 6138 1 247 . 1 1 30 30 TYR CB C 13 41.537 0.043 . 2 . . . A 30 . . . 6138 1 248 . 1 1 30 30 TYR HA H 1 6.096 0.006 . 2 . . . A 30 . . . 6138 1 249 . 1 1 30 30 TYR HB2 H 1 2.563 0.007 . 2 . . . A 30 . . . 6138 1 250 . 1 1 30 30 TYR H H 1 7.916 0.009 . 2 . . . A 30 . . . 6138 1 251 . 1 1 30 30 TYR N N 15 125.288 0.094 . 2 . . . A 30 . . . 6138 1 252 . 1 1 30 30 TYR HD1 H 1 6.388 0.001 . 4 . . . A 30 . . . 6138 1 253 . 1 1 30 30 TYR HE1 H 1 6.543 0.007 . 4 . . . A 30 . . . 6138 1 254 . 1 1 31 31 VAL C C 13 173.850 0.000 . 2 . . . A 31 . . . 6138 1 255 . 1 1 31 31 VAL CA C 13 61.844 0.082 . 2 . . . A 31 . . . 6138 1 256 . 1 1 31 31 VAL CB C 13 37.207 0.069 . 2 . . . A 31 . . . 6138 1 257 . 1 1 31 31 VAL CG1 C 13 22.738 0.036 . 2 . . . A 31 . . . 6138 1 258 . 1 1 31 31 VAL CG2 C 13 20.999 0.056 . 2 . . . A 31 . . . 6138 1 259 . 1 1 31 31 VAL HA H 1 4.352 0.009 . 2 . . . A 31 . . . 6138 1 260 . 1 1 31 31 VAL HB H 1 1.570 0.007 . 2 . . . A 31 . . . 6138 1 261 . 1 1 31 31 VAL H H 1 8.374 0.004 . 2 . . . A 31 . . . 6138 1 262 . 1 1 31 31 VAL N N 15 121.593 0.106 . 2 . . . A 31 . . . 6138 1 263 . 1 1 31 31 VAL HG11 H 1 0.674 0.011 . 2 . . . A 31 . . . 6138 1 264 . 1 1 31 31 VAL HG12 H 1 0.674 0.011 . 2 . . . A 31 . . . 6138 1 265 . 1 1 31 31 VAL HG13 H 1 0.674 0.011 . 2 . . . A 31 . . . 6138 1 266 . 1 1 31 31 VAL HG21 H 1 0.775 0.008 . 2 . . . A 31 . . . 6138 1 267 . 1 1 31 31 VAL HG22 H 1 0.775 0.008 . 2 . . . A 31 . . . 6138 1 268 . 1 1 31 31 VAL HG23 H 1 0.775 0.008 . 2 . . . A 31 . . . 6138 1 269 . 1 1 32 32 ALA C C 13 175.233 0.000 . 2 . . . A 32 . . . 6138 1 270 . 1 1 32 32 ALA CA C 13 48.911 0.041 . 2 . . . A 32 . . . 6138 1 271 . 1 1 32 32 ALA CB C 13 22.223 0.065 . 2 . . . A 32 . . . 6138 1 272 . 1 1 32 32 ALA HA H 1 6.042 0.006 . 2 . . . A 32 . . . 6138 1 273 . 1 1 32 32 ALA H H 1 8.824 0.006 . 2 . . . A 32 . . . 6138 1 274 . 1 1 32 32 ALA N N 15 129.249 0.121 . 2 . . . A 32 . . . 6138 1 275 . 1 1 32 32 ALA HB1 H 1 0.855 0.008 . 1 . . . A 32 . . . 6138 1 276 . 1 1 32 32 ALA HB2 H 1 0.855 0.008 . 1 . . . A 32 . . . 6138 1 277 . 1 1 32 32 ALA HB3 H 1 0.855 0.008 . 1 . . . A 32 . . . 6138 1 278 . 1 1 33 33 ILE C C 13 176.914 0.000 . 2 . . . A 33 . . . 6138 1 279 . 1 1 33 33 ILE CA C 13 60.617 0.127 . 2 . . . A 33 . . . 6138 1 280 . 1 1 33 33 ILE CB C 13 41.596 0.075 . 2 . . . A 33 . . . 6138 1 281 . 1 1 33 33 ILE CD1 C 13 12.801 0.059 . 2 . . . A 33 . . . 6138 1 282 . 1 1 33 33 ILE CG1 C 13 26.829 0.065 . 2 . . . A 33 . . . 6138 1 283 . 1 1 33 33 ILE CG2 C 13 17.734 0.047 . 2 . . . A 33 . . . 6138 1 284 . 1 1 33 33 ILE HA H 1 4.144 0.009 . 2 . . . A 33 . . . 6138 1 285 . 1 1 33 33 ILE HB H 1 1.676 0.013 . 2 . . . A 33 . . . 6138 1 286 . 1 1 33 33 ILE HG12 H 1 1.017 0.014 . 2 . . . A 33 . . . 6138 1 287 . 1 1 33 33 ILE HG13 H 1 0.286 0.008 . 2 . . . A 33 . . . 6138 1 288 . 1 1 33 33 ILE H H 1 8.599 0.005 . 2 . . . A 33 . . . 6138 1 289 . 1 1 33 33 ILE N N 15 117.485 0.104 . 2 . . . A 33 . . . 6138 1 290 . 1 1 33 33 ILE HD11 H 1 -0.480 0.005 . 1 . . . A 33 . . . 6138 1 291 . 1 1 33 33 ILE HD12 H 1 -0.480 0.005 . 1 . . . A 33 . . . 6138 1 292 . 1 1 33 33 ILE HD13 H 1 -0.480 0.005 . 1 . . . A 33 . . . 6138 1 293 . 1 1 33 33 ILE HG21 H 1 0.663 0.006 . 1 . . . A 33 . . . 6138 1 294 . 1 1 33 33 ILE HG22 H 1 0.663 0.006 . 1 . . . A 33 . . . 6138 1 295 . 1 1 33 33 ILE HG23 H 1 0.663 0.006 . 1 . . . A 33 . . . 6138 1 296 . 1 1 34 34 LYS C C 13 176.660 0.000 . 2 . . . A 34 . . . 6138 1 297 . 1 1 34 34 LYS CA C 13 57.322 0.040 . 2 . . . A 34 . . . 6138 1 298 . 1 1 34 34 LYS CB C 13 30.036 0.108 . 2 . . . A 34 . . . 6138 1 299 . 1 1 34 34 LYS CD C 13 29.742 0.000 . 2 . . . A 34 . . . 6138 1 300 . 1 1 34 34 LYS CG C 13 25.742 0.108 . 2 . . . A 34 . . . 6138 1 301 . 1 1 34 34 LYS HA H 1 4.124 0.008 . 2 . . . A 34 . . . 6138 1 302 . 1 1 34 34 LYS HB2 H 1 2.188 0.011 . 2 . . . A 34 . . . 6138 1 303 . 1 1 34 34 LYS HB3 H 1 1.776 0.009 . 2 . . . A 34 . . . 6138 1 304 . 1 1 34 34 LYS HD2 H 1 1.682 0.000 . 2 . . . A 34 . . . 6138 1 305 . 1 1 34 34 LYS HE2 H 1 2.776 0.012 . 2 . . . A 34 . . . 6138 1 306 . 1 1 34 34 LYS HG2 H 1 1.363 0.018 . 2 . . . A 34 . . . 6138 1 307 . 1 1 34 34 LYS HG3 H 1 1.487 0.017 . 2 . . . A 34 . . . 6138 1 308 . 1 1 34 34 LYS H H 1 9.773 0.013 . 2 . . . A 34 . . . 6138 1 309 . 1 1 34 34 LYS N N 15 128.734 0.118 . 2 . . . A 34 . . . 6138 1 310 . 1 1 35 35 GLY C C 13 172.910 0.000 . 2 . . . A 35 . . . 6138 1 311 . 1 1 35 35 GLY CA C 13 46.095 0.047 . 2 . . . A 35 . . . 6138 1 312 . 1 1 35 35 GLY HA2 H 1 4.271 0.008 . 2 . . . A 35 . . . 6138 1 313 . 1 1 35 35 GLY HA3 H 1 3.591 0.007 . 2 . . . A 35 . . . 6138 1 314 . 1 1 35 35 GLY H H 1 8.097 0.008 . 2 . . . A 35 . . . 6138 1 315 . 1 1 35 35 GLY N N 15 103.652 0.107 . 2 . . . A 35 . . . 6138 1 316 . 1 1 36 36 ARG C C 13 174.048 0.000 . 2 . . . A 36 . . . 6138 1 317 . 1 1 36 36 ARG CA C 13 56.024 0.077 . 2 . . . A 36 . . . 6138 1 318 . 1 1 36 36 ARG CB C 13 32.068 0.066 . 2 . . . A 36 . . . 6138 1 319 . 1 1 36 36 ARG CD C 13 44.408 0.029 . 2 . . . A 36 . . . 6138 1 320 . 1 1 36 36 ARG CG C 13 27.136 0.073 . 2 . . . A 36 . . . 6138 1 321 . 1 1 36 36 ARG HA H 1 4.598 0.008 . 2 . . . A 36 . . . 6138 1 322 . 1 1 36 36 ARG HB2 H 1 1.581 0.009 . 2 . . . A 36 . . . 6138 1 323 . 1 1 36 36 ARG HB3 H 1 1.984 0.006 . 2 . . . A 36 . . . 6138 1 324 . 1 1 36 36 ARG HD3 H 1 3.257 0.020 . 2 . . . A 36 . . . 6138 1 325 . 1 1 36 36 ARG HE H 1 7.583 0.004 . 2 . . . A 36 . . . 6138 1 326 . 1 1 36 36 ARG HG2 H 1 1.731 0.009 . 2 . . . A 36 . . . 6138 1 327 . 1 1 36 36 ARG HG3 H 1 1.312 0.014 . 2 . . . A 36 . . . 6138 1 328 . 1 1 36 36 ARG H H 1 8.195 0.007 . 2 . . . A 36 . . . 6138 1 329 . 1 1 36 36 ARG N N 15 123.488 0.108 . 2 . . . A 36 . . . 6138 1 330 . 1 1 36 36 ARG NE N 15 85.468 0.032 . 2 . . . A 36 . . . 6138 1 331 . 1 1 37 37 VAL C C 13 173.655 0.000 . 2 . . . A 37 . . . 6138 1 332 . 1 1 37 37 VAL CA C 13 63.245 0.063 . 2 . . . A 37 . . . 6138 1 333 . 1 1 37 37 VAL CB C 13 32.067 0.065 . 2 . . . A 37 . . . 6138 1 334 . 1 1 37 37 VAL CG1 C 13 22.591 0.019 . 2 . . . A 37 . . . 6138 1 335 . 1 1 37 37 VAL CG2 C 13 22.164 0.040 . 2 . . . A 37 . . . 6138 1 336 . 1 1 37 37 VAL HA H 1 3.529 0.006 . 2 . . . A 37 . . . 6138 1 337 . 1 1 37 37 VAL HB H 1 1.080 0.008 . 2 . . . A 37 . . . 6138 1 338 . 1 1 37 37 VAL H H 1 8.078 0.009 . 2 . . . A 37 . . . 6138 1 339 . 1 1 37 37 VAL N N 15 123.237 0.111 . 2 . . . A 37 . . . 6138 1 340 . 1 1 37 37 VAL HG11 H 1 -0.229 0.013 . 2 . . . A 37 . . . 6138 1 341 . 1 1 37 37 VAL HG12 H 1 -0.229 0.013 . 2 . . . A 37 . . . 6138 1 342 . 1 1 37 37 VAL HG13 H 1 -0.229 0.013 . 2 . . . A 37 . . . 6138 1 343 . 1 1 37 37 VAL HG21 H 1 0.413 0.004 . 2 . . . A 37 . . . 6138 1 344 . 1 1 37 37 VAL HG22 H 1 0.413 0.004 . 2 . . . A 37 . . . 6138 1 345 . 1 1 37 37 VAL HG23 H 1 0.413 0.004 . 2 . . . A 37 . . . 6138 1 346 . 1 1 38 38 PHE C C 13 174.812 0.000 . 2 . . . A 38 . . . 6138 1 347 . 1 1 38 38 PHE CA C 13 56.789 0.061 . 2 . . . A 38 . . . 6138 1 348 . 1 1 38 38 PHE CB C 13 41.134 0.069 . 2 . . . A 38 . . . 6138 1 349 . 1 1 38 38 PHE HA H 1 5.101 0.005 . 2 . . . A 38 . . . 6138 1 350 . 1 1 38 38 PHE HB2 H 1 2.615 0.010 . 2 . . . A 38 . . . 6138 1 351 . 1 1 38 38 PHE HB3 H 1 3.026 0.006 . 2 . . . A 38 . . . 6138 1 352 . 1 1 38 38 PHE H H 1 8.999 0.005 . 2 . . . A 38 . . . 6138 1 353 . 1 1 38 38 PHE N N 15 128.230 0.117 . 2 . . . A 38 . . . 6138 1 354 . 1 1 38 38 PHE HD1 H 1 7.389 0.011 . 4 . . . A 38 . . . 6138 1 355 . 1 1 38 38 PHE HE1 H 1 7.245 0.009 . 4 . . . A 38 . . . 6138 1 356 . 1 1 39 39 ASP C C 13 177.319 0.000 . 2 . . . A 39 . . . 6138 1 357 . 1 1 39 39 ASP CA C 13 53.240 0.037 . 2 . . . A 39 . . . 6138 1 358 . 1 1 39 39 ASP CB C 13 41.057 0.045 . 2 . . . A 39 . . . 6138 1 359 . 1 1 39 39 ASP HA H 1 5.196 0.014 . 2 . . . A 39 . . . 6138 1 360 . 1 1 39 39 ASP HB2 H 1 2.520 0.010 . 2 . . . A 39 . . . 6138 1 361 . 1 1 39 39 ASP HB3 H 1 3.148 0.010 . 2 . . . A 39 . . . 6138 1 362 . 1 1 39 39 ASP H H 1 8.584 0.004 . 2 . . . A 39 . . . 6138 1 363 . 1 1 39 39 ASP N N 15 120.102 0.114 . 2 . . . A 39 . . . 6138 1 364 . 1 1 40 40 VAL C C 13 177.612 0.000 . 2 . . . A 40 . . . 6138 1 365 . 1 1 40 40 VAL CA C 13 59.247 0.075 . 2 . . . A 40 . . . 6138 1 366 . 1 1 40 40 VAL CB C 13 29.687 0.065 . 2 . . . A 40 . . . 6138 1 367 . 1 1 40 40 VAL CG1 C 13 20.677 0.049 . 2 . . . A 40 . . . 6138 1 368 . 1 1 40 40 VAL CG2 C 13 20.440 0.026 . 2 . . . A 40 . . . 6138 1 369 . 1 1 40 40 VAL HA H 1 4.094 0.005 . 2 . . . A 40 . . . 6138 1 370 . 1 1 40 40 VAL HB H 1 1.676 0.009 . 2 . . . A 40 . . . 6138 1 371 . 1 1 40 40 VAL H H 1 8.711 0.006 . 2 . . . A 40 . . . 6138 1 372 . 1 1 40 40 VAL N N 15 121.029 0.075 . 2 . . . A 40 . . . 6138 1 373 . 1 1 40 40 VAL HG11 H 1 -0.286 0.014 . 2 . . . A 40 . . . 6138 1 374 . 1 1 40 40 VAL HG12 H 1 -0.286 0.014 . 2 . . . A 40 . . . 6138 1 375 . 1 1 40 40 VAL HG13 H 1 -0.286 0.014 . 2 . . . A 40 . . . 6138 1 376 . 1 1 40 40 VAL HG21 H 1 0.202 0.006 . 2 . . . A 40 . . . 6138 1 377 . 1 1 40 40 VAL HG22 H 1 0.202 0.006 . 2 . . . A 40 . . . 6138 1 378 . 1 1 40 40 VAL HG23 H 1 0.202 0.006 . 2 . . . A 40 . . . 6138 1 379 . 1 1 41 41 THR C C 13 177.807 0.000 . 2 . . . A 41 . . . 6138 1 380 . 1 1 41 41 THR CA C 13 69.435 0.059 . 2 . . . A 41 . . . 6138 1 381 . 1 1 41 41 THR CB C 13 68.342 0.122 . 2 . . . A 41 . . . 6138 1 382 . 1 1 41 41 THR CG2 C 13 22.088 0.054 . 2 . . . A 41 . . . 6138 1 383 . 1 1 41 41 THR HA H 1 3.618 0.004 . 2 . . . A 41 . . . 6138 1 384 . 1 1 41 41 THR HB H 1 4.224 0.007 . 2 . . . A 41 . . . 6138 1 385 . 1 1 41 41 THR H H 1 8.891 0.006 . 2 . . . A 41 . . . 6138 1 386 . 1 1 41 41 THR N N 15 124.434 0.106 . 2 . . . A 41 . . . 6138 1 387 . 1 1 41 41 THR HG21 H 1 1.354 0.004 . 1 . . . A 41 . . . 6138 1 388 . 1 1 41 41 THR HG22 H 1 1.354 0.004 . 1 . . . A 41 . . . 6138 1 389 . 1 1 41 41 THR HG23 H 1 1.354 0.004 . 1 . . . A 41 . . . 6138 1 390 . 1 1 42 42 THR C C 13 176.059 0.000 . 2 . . . A 42 . . . 6138 1 391 . 1 1 42 42 THR CA C 13 64.862 0.141 . 2 . . . A 42 . . . 6138 1 392 . 1 1 42 42 THR CB C 13 69.042 0.129 . 2 . . . A 42 . . . 6138 1 393 . 1 1 42 42 THR CG2 C 13 22.086 0.068 . 2 . . . A 42 . . . 6138 1 394 . 1 1 42 42 THR HA H 1 4.348 0.006 . 2 . . . A 42 . . . 6138 1 395 . 1 1 42 42 THR HB H 1 4.582 0.003 . 2 . . . A 42 . . . 6138 1 396 . 1 1 42 42 THR H H 1 8.917 0.002 . 2 . . . A 42 . . . 6138 1 397 . 1 1 42 42 THR N N 15 112.081 0.083 . 2 . . . A 42 . . . 6138 1 398 . 1 1 42 42 THR HG21 H 1 1.483 0.010 . 1 . . . A 42 . . . 6138 1 399 . 1 1 42 42 THR HG22 H 1 1.483 0.010 . 1 . . . A 42 . . . 6138 1 400 . 1 1 42 42 THR HG23 H 1 1.483 0.010 . 1 . . . A 42 . . . 6138 1 401 . 1 1 43 43 GLY C C 13 175.863 0.000 . 2 . . . A 43 . . . 6138 1 402 . 1 1 43 43 GLY CA C 13 46.223 0.046 . 2 . . . A 43 . . . 6138 1 403 . 1 1 43 43 GLY HA2 H 1 3.948 0.008 . 2 . . . A 43 . . . 6138 1 404 . 1 1 43 43 GLY HA3 H 1 5.036 0.010 . 2 . . . A 43 . . . 6138 1 405 . 1 1 43 43 GLY H H 1 8.726 0.004 . 2 . . . A 43 . . . 6138 1 406 . 1 1 43 43 GLY N N 15 113.470 0.119 . 2 . . . A 43 . . . 6138 1 407 . 1 1 44 44 LYS C C 13 177.347 0.000 . 2 . . . A 44 . . . 6138 1 408 . 1 1 44 44 LYS CA C 13 59.797 0.095 . 2 . . . A 44 . . . 6138 1 409 . 1 1 44 44 LYS CB C 13 32.383 0.058 . 2 . . . A 44 . . . 6138 1 410 . 1 1 44 44 LYS CD C 13 29.691 0.059 . 2 . . . A 44 . . . 6138 1 411 . 1 1 44 44 LYS CE C 13 41.897 0.153 . 2 . . . A 44 . . . 6138 1 412 . 1 1 44 44 LYS CG C 13 24.397 0.112 . 2 . . . A 44 . . . 6138 1 413 . 1 1 44 44 LYS HA H 1 3.812 0.005 . 2 . . . A 44 . . . 6138 1 414 . 1 1 44 44 LYS HB2 H 1 2.182 0.007 . 2 . . . A 44 . . . 6138 1 415 . 1 1 44 44 LYS HB3 H 1 2.084 0.014 . 2 . . . A 44 . . . 6138 1 416 . 1 1 44 44 LYS HD2 H 1 1.763 0.010 . 2 . . . A 44 . . . 6138 1 417 . 1 1 44 44 LYS HD3 H 1 1.773 0.002 . 2 . . . A 44 . . . 6138 1 418 . 1 1 44 44 LYS HE3 H 1 3.047 0.012 . 2 . . . A 44 . . . 6138 1 419 . 1 1 44 44 LYS HG2 H 1 1.403 0.014 . 2 . . . A 44 . . . 6138 1 420 . 1 1 44 44 LYS HG3 H 1 1.524 0.013 . 2 . . . A 44 . . . 6138 1 421 . 1 1 44 44 LYS H H 1 7.525 0.004 . 2 . . . A 44 . . . 6138 1 422 . 1 1 44 44 LYS N N 15 123.441 0.104 . 2 . . . A 44 . . . 6138 1 423 . 1 1 45 45 SER C C 13 174.474 0.000 . 2 . . . A 45 . . . 6138 1 424 . 1 1 45 45 SER CA C 13 61.466 0.111 . 2 . . . A 45 . . . 6138 1 425 . 1 1 45 45 SER CB C 13 62.052 0.102 . 2 . . . A 45 . . . 6138 1 426 . 1 1 45 45 SER HA H 1 3.979 0.010 . 2 . . . A 45 . . . 6138 1 427 . 1 1 45 45 SER HB2 H 1 3.506 0.018 . 2 . . . A 45 . . . 6138 1 428 . 1 1 45 45 SER HB3 H 1 3.566 0.006 . 2 . . . A 45 . . . 6138 1 429 . 1 1 45 45 SER H H 1 8.944 0.005 . 2 . . . A 45 . . . 6138 1 430 . 1 1 45 45 SER N N 15 117.486 0.116 . 2 . . . A 45 . . . 6138 1 431 . 1 1 46 46 PHE C C 13 176.617 0.000 . 2 . . . A 46 . . . 6138 1 432 . 1 1 46 46 PHE CA C 13 58.476 0.073 . 2 . . . A 46 . . . 6138 1 433 . 1 1 46 46 PHE CB C 13 39.120 0.046 . 2 . . . A 46 . . . 6138 1 434 . 1 1 46 46 PHE HA H 1 4.652 0.020 . 2 . . . A 46 . . . 6138 1 435 . 1 1 46 46 PHE HB2 H 1 2.268 0.012 . 2 . . . A 46 . . . 6138 1 436 . 1 1 46 46 PHE HB3 H 1 2.313 0.023 . 2 . . . A 46 . . . 6138 1 437 . 1 1 46 46 PHE H H 1 7.673 0.004 . 2 . . . A 46 . . . 6138 1 438 . 1 1 46 46 PHE N N 15 118.646 0.109 . 2 . . . A 46 . . . 6138 1 439 . 1 1 46 46 PHE HD1 H 1 7.162 0.002 . 4 . . . A 46 . . . 6138 1 440 . 1 1 46 46 PHE HE1 H 1 6.738 0.006 . 4 . . . A 46 . . . 6138 1 441 . 1 1 47 47 TYR C C 13 175.125 0.000 . 2 . . . A 47 . . . 6138 1 442 . 1 1 47 47 TYR CA C 13 58.348 0.054 . 2 . . . A 47 . . . 6138 1 443 . 1 1 47 47 TYR CB C 13 41.273 0.053 . 2 . . . A 47 . . . 6138 1 444 . 1 1 47 47 TYR HA H 1 4.380 0.006 . 2 . . . A 47 . . . 6138 1 445 . 1 1 47 47 TYR HB2 H 1 3.191 0.006 . 2 . . . A 47 . . . 6138 1 446 . 1 1 47 47 TYR HB3 H 1 2.158 0.003 . 2 . . . A 47 . . . 6138 1 447 . 1 1 47 47 TYR H H 1 7.295 0.005 . 2 . . . A 47 . . . 6138 1 448 . 1 1 47 47 TYR N N 15 115.378 0.092 . 2 . . . A 47 . . . 6138 1 449 . 1 1 47 47 TYR HD1 H 1 7.134 0.004 . 2 . . . A 47 . . . 6138 1 450 . 1 1 47 47 TYR HE1 H 1 6.977 0.015 . 2 . . . A 47 . . . 6138 1 451 . 1 1 48 48 GLY C C 13 172.927 0.000 . 2 . . . A 48 . . . 6138 1 452 . 1 1 48 48 GLY CA C 13 43.774 0.076 . 2 . . . A 48 . . . 6138 1 453 . 1 1 48 48 GLY HA2 H 1 3.747 0.008 . 2 . . . A 48 . . . 6138 1 454 . 1 1 48 48 GLY HA3 H 1 4.309 0.011 . 2 . . . A 48 . . . 6138 1 455 . 1 1 48 48 GLY H H 1 8.162 0.005 . 2 . . . A 48 . . . 6138 1 456 . 1 1 48 48 GLY N N 15 105.727 0.110 . 2 . . . A 48 . . . 6138 1 457 . 1 1 49 49 SER C C 13 176.927 0.000 . 2 . . . A 49 . . . 6138 1 458 . 1 1 49 49 SER CA C 13 60.277 0.053 . 2 . . . A 49 . . . 6138 1 459 . 1 1 49 49 SER CB C 13 62.841 0.060 . 2 . . . A 49 . . . 6138 1 460 . 1 1 49 49 SER HA H 1 4.131 0.002 . 2 . . . A 49 . . . 6138 1 461 . 1 1 49 49 SER HB2 H 1 3.823 0.013 . 2 . . . A 49 . . . 6138 1 462 . 1 1 49 49 SER H H 1 8.409 0.008 . 2 . . . A 49 . . . 6138 1 463 . 1 1 49 49 SER N N 15 114.165 0.086 . 2 . . . A 49 . . . 6138 1 464 . 1 1 50 50 GLY C C 13 174.941 0.000 . 2 . . . A 50 . . . 6138 1 465 . 1 1 50 50 GLY CA C 13 45.163 0.064 . 2 . . . A 50 . . . 6138 1 466 . 1 1 50 50 GLY HA2 H 1 3.784 0.009 . 2 . . . A 50 . . . 6138 1 467 . 1 1 50 50 GLY HA3 H 1 4.144 0.011 . 2 . . . A 50 . . . 6138 1 468 . 1 1 50 50 GLY H H 1 9.031 0.009 . 2 . . . A 50 . . . 6138 1 469 . 1 1 50 50 GLY N N 15 116.826 0.098 . 2 . . . A 50 . . . 6138 1 470 . 1 1 51 51 GLY C C 13 175.642 0.000 . 2 . . . A 51 . . . 6138 1 471 . 1 1 51 51 GLY CA C 13 45.072 0.017 . 2 . . . A 51 . . . 6138 1 472 . 1 1 51 51 GLY HA2 H 1 3.368 0.009 . 2 . . . A 51 . . . 6138 1 473 . 1 1 51 51 GLY HA3 H 1 4.132 0.006 . 2 . . . A 51 . . . 6138 1 474 . 1 1 51 51 GLY H H 1 8.675 0.007 . 2 . . . A 51 . . . 6138 1 475 . 1 1 51 51 GLY N N 15 110.485 0.099 . 2 . . . A 51 . . . 6138 1 476 . 1 1 52 52 ASP C C 13 176.308 0.000 . 2 . . . A 52 . . . 6138 1 477 . 1 1 52 52 ASP CA C 13 56.651 0.050 . 2 . . . A 52 . . . 6138 1 478 . 1 1 52 52 ASP CB C 13 40.871 0.080 . 2 . . . A 52 . . . 6138 1 479 . 1 1 52 52 ASP HA H 1 4.182 0.010 . 2 . . . A 52 . . . 6138 1 480 . 1 1 52 52 ASP HB2 H 1 2.039 0.010 . 2 . . . A 52 . . . 6138 1 481 . 1 1 52 52 ASP HB3 H 1 2.180 0.005 . 2 . . . A 52 . . . 6138 1 482 . 1 1 52 52 ASP H H 1 9.280 0.003 . 2 . . . A 52 . . . 6138 1 483 . 1 1 52 52 ASP N N 15 123.384 0.085 . 2 . . . A 52 . . . 6138 1 484 . 1 1 53 53 TYR C C 13 176.797 0.000 . 2 . . . A 53 . . . 6138 1 485 . 1 1 53 53 TYR CA C 13 56.056 0.064 . 2 . . . A 53 . . . 6138 1 486 . 1 1 53 53 TYR CB C 13 38.117 0.050 . 2 . . . A 53 . . . 6138 1 487 . 1 1 53 53 TYR HA H 1 4.549 0.008 . 2 . . . A 53 . . . 6138 1 488 . 1 1 53 53 TYR HB2 H 1 2.982 0.004 . 2 . . . A 53 . . . 6138 1 489 . 1 1 53 53 TYR HB3 H 1 2.022 0.019 . 2 . . . A 53 . . . 6138 1 490 . 1 1 53 53 TYR H H 1 8.241 0.007 . 2 . . . A 53 . . . 6138 1 491 . 1 1 53 53 TYR N N 15 115.084 0.088 . 2 . . . A 53 . . . 6138 1 492 . 1 1 53 53 TYR HD1 H 1 6.723 0.023 . 4 . . . A 53 . . . 6138 1 493 . 1 1 53 53 TYR HE1 H 1 6.354 0.002 . 4 . . . A 53 . . . 6138 1 494 . 1 1 54 54 SER C C 13 176.583 0.000 . 2 . . . A 54 . . . 6138 1 495 . 1 1 54 54 SER CA C 13 60.580 0.043 . 2 . . . A 54 . . . 6138 1 496 . 1 1 54 54 SER CB C 13 62.939 0.127 . 2 . . . A 54 . . . 6138 1 497 . 1 1 54 54 SER HA H 1 4.244 0.004 . 2 . . . A 54 . . . 6138 1 498 . 1 1 54 54 SER HB2 H 1 3.970 0.007 . 2 . . . A 54 . . . 6138 1 499 . 1 1 54 54 SER HB3 H 1 3.927 0.016 . 2 . . . A 54 . . . 6138 1 500 . 1 1 54 54 SER H H 1 7.262 0.007 . 2 . . . A 54 . . . 6138 1 501 . 1 1 54 54 SER N N 15 117.063 0.122 . 2 . . . A 54 . . . 6138 1 502 . 1 1 55 55 MET C C 13 176.144 0.000 . 2 . . . A 55 . . . 6138 1 503 . 1 1 55 55 MET CA C 13 58.222 0.060 . 2 . . . A 55 . . . 6138 1 504 . 1 1 55 55 MET CB C 13 28.483 0.070 . 2 . . . A 55 . . . 6138 1 505 . 1 1 55 55 MET CG C 13 31.173 0.064 . 2 . . . A 55 . . . 6138 1 506 . 1 1 55 55 MET HA H 1 4.570 0.009 . 2 . . . A 55 . . . 6138 1 507 . 1 1 55 55 MET HB2 H 1 2.303 0.007 . 2 . . . A 55 . . . 6138 1 508 . 1 1 55 55 MET HB3 H 1 2.213 0.025 . 2 . . . A 55 . . . 6138 1 509 . 1 1 55 55 MET HG2 H 1 2.288 0.012 . 2 . . . A 55 . . . 6138 1 510 . 1 1 55 55 MET HG3 H 1 2.557 0.007 . 2 . . . A 55 . . . 6138 1 511 . 1 1 55 55 MET H H 1 8.739 0.003 . 2 . . . A 55 . . . 6138 1 512 . 1 1 55 55 MET N N 15 119.824 0.093 . 2 . . . A 55 . . . 6138 1 513 . 1 1 56 56 PHE C C 13 175.100 0.000 . 2 . . . A 56 . . . 6138 1 514 . 1 1 56 56 PHE CA C 13 54.920 0.062 . 2 . . . A 56 . . . 6138 1 515 . 1 1 56 56 PHE CB C 13 38.149 0.039 . 2 . . . A 56 . . . 6138 1 516 . 1 1 56 56 PHE HA H 1 4.717 0.005 . 2 . . . A 56 . . . 6138 1 517 . 1 1 56 56 PHE HB3 H 1 3.334 0.010 . 2 . . . A 56 . . . 6138 1 518 . 1 1 56 56 PHE H H 1 8.016 0.006 . 2 . . . A 56 . . . 6138 1 519 . 1 1 56 56 PHE N N 15 120.255 0.104 . 2 . . . A 56 . . . 6138 1 520 . 1 1 56 56 PHE HD1 H 1 6.932 0.003 . 4 . . . A 56 . . . 6138 1 521 . 1 1 56 56 PHE HE1 H 1 6.754 0.015 . 4 . . . A 56 . . . 6138 1 522 . 1 1 57 57 ALA C C 13 178.463 0.000 . 2 . . . A 57 . . . 6138 1 523 . 1 1 57 57 ALA CA C 13 53.716 0.050 . 2 . . . A 57 . . . 6138 1 524 . 1 1 57 57 ALA CB C 13 19.116 0.027 . 2 . . . A 57 . . . 6138 1 525 . 1 1 57 57 ALA HA H 1 4.059 0.006 . 2 . . . A 57 . . . 6138 1 526 . 1 1 57 57 ALA H H 1 7.309 0.003 . 2 . . . A 57 . . . 6138 1 527 . 1 1 57 57 ALA N N 15 119.623 0.114 . 2 . . . A 57 . . . 6138 1 528 . 1 1 57 57 ALA HB1 H 1 1.550 0.003 . 1 . . . A 57 . . . 6138 1 529 . 1 1 57 57 ALA HB2 H 1 1.550 0.003 . 1 . . . A 57 . . . 6138 1 530 . 1 1 57 57 ALA HB3 H 1 1.550 0.003 . 1 . . . A 57 . . . 6138 1 531 . 1 1 58 58 GLY C C 13 172.919 0.000 . 2 . . . A 58 . . . 6138 1 532 . 1 1 58 58 GLY CA C 13 45.882 0.053 . 2 . . . A 58 . . . 6138 1 533 . 1 1 58 58 GLY HA2 H 1 3.754 0.010 . 2 . . . A 58 . . . 6138 1 534 . 1 1 58 58 GLY HA3 H 1 3.575 0.010 . 2 . . . A 58 . . . 6138 1 535 . 1 1 58 58 GLY H H 1 9.656 0.006 . 2 . . . A 58 . . . 6138 1 536 . 1 1 58 58 GLY N N 15 113.087 0.099 . 2 . . . A 58 . . . 6138 1 537 . 1 1 59 59 LYS C C 13 175.104 0.000 . 2 . . . A 59 . . . 6138 1 538 . 1 1 59 59 LYS CA C 13 54.311 0.033 . 2 . . . A 59 . . . 6138 1 539 . 1 1 59 59 LYS CB C 13 36.446 0.030 . 2 . . . A 59 . . . 6138 1 540 . 1 1 59 59 LYS CD C 13 29.404 0.082 . 2 . . . A 59 . . . 6138 1 541 . 1 1 59 59 LYS CE C 13 42.701 0.053 . 2 . . . A 59 . . . 6138 1 542 . 1 1 59 59 LYS CG C 13 24.924 0.016 . 2 . . . A 59 . . . 6138 1 543 . 1 1 59 59 LYS HA H 1 4.443 0.007 . 2 . . . A 59 . . . 6138 1 544 . 1 1 59 59 LYS HB2 H 1 1.587 0.014 . 2 . . . A 59 . . . 6138 1 545 . 1 1 59 59 LYS HB3 H 1 1.657 0.016 . 2 . . . A 59 . . . 6138 1 546 . 1 1 59 59 LYS HD3 H 1 1.688 0.011 . 2 . . . A 59 . . . 6138 1 547 . 1 1 59 59 LYS HE3 H 1 3.066 0.005 . 2 . . . A 59 . . . 6138 1 548 . 1 1 59 59 LYS HG2 H 1 1.405 0.014 . 2 . . . A 59 . . . 6138 1 549 . 1 1 59 59 LYS HG3 H 1 1.228 0.014 . 2 . . . A 59 . . . 6138 1 550 . 1 1 59 59 LYS H H 1 7.820 0.005 . 2 . . . A 59 . . . 6138 1 551 . 1 1 59 59 LYS N N 15 117.631 0.088 . 2 . . . A 59 . . . 6138 1 552 . 1 1 60 60 ASP C C 13 174.614 0.000 . 2 . . . A 60 . . . 6138 1 553 . 1 1 60 60 ASP CA C 13 53.385 0.058 . 2 . . . A 60 . . . 6138 1 554 . 1 1 60 60 ASP CB C 13 41.351 0.051 . 2 . . . A 60 . . . 6138 1 555 . 1 1 60 60 ASP HA H 1 4.999 0.012 . 2 . . . A 60 . . . 6138 1 556 . 1 1 60 60 ASP HB2 H 1 1.985 0.012 . 2 . . . A 60 . . . 6138 1 557 . 1 1 60 60 ASP HB3 H 1 2.759 0.009 . 2 . . . A 60 . . . 6138 1 558 . 1 1 60 60 ASP H H 1 7.986 0.012 . 2 . . . A 60 . . . 6138 1 559 . 1 1 60 60 ASP N N 15 119.064 0.137 . 2 . . . A 60 . . . 6138 1 560 . 1 1 61 61 ALA C C 13 176.914 0.000 . 2 . . . A 61 . . . 6138 1 561 . 1 1 61 61 ALA CA C 13 49.620 0.055 . 2 . . . A 61 . . . 6138 1 562 . 1 1 61 61 ALA CB C 13 19.270 0.048 . 2 . . . A 61 . . . 6138 1 563 . 1 1 61 61 ALA HA H 1 4.372 0.007 . 2 . . . A 61 . . . 6138 1 564 . 1 1 61 61 ALA H H 1 7.509 0.006 . 2 . . . A 61 . . . 6138 1 565 . 1 1 61 61 ALA N N 15 128.806 0.100 . 2 . . . A 61 . . . 6138 1 566 . 1 1 61 61 ALA HB1 H 1 0.538 0.010 . 1 . . . A 61 . . . 6138 1 567 . 1 1 61 61 ALA HB2 H 1 0.538 0.010 . 1 . . . A 61 . . . 6138 1 568 . 1 1 61 61 ALA HB3 H 1 0.538 0.010 . 1 . . . A 61 . . . 6138 1 569 . 1 1 62 62 SER C C 13 174.132 0.000 . 2 . . . A 62 . . . 6138 1 570 . 1 1 62 62 SER CA C 13 64.227 0.077 . 2 . . . A 62 . . . 6138 1 571 . 1 1 62 62 SER HA H 1 3.747 0.009 . 2 . . . A 62 . . . 6138 1 572 . 1 1 62 62 SER H H 1 8.556 0.012 . 2 . . . A 62 . . . 6138 1 573 . 1 1 62 62 SER N N 15 116.999 0.089 . 2 . . . A 62 . . . 6138 1 574 . 1 1 63 63 ARG C C 13 176.907 0.000 . 2 . . . A 63 . . . 6138 1 575 . 1 1 63 63 ARG CA C 13 60.531 0.032 . 2 . . . A 63 . . . 6138 1 576 . 1 1 63 63 ARG CB C 13 29.154 0.115 . 2 . . . A 63 . . . 6138 1 577 . 1 1 63 63 ARG CD C 13 43.458 0.077 . 2 . . . A 63 . . . 6138 1 578 . 1 1 63 63 ARG CG C 13 29.462 0.118 . 2 . . . A 63 . . . 6138 1 579 . 1 1 63 63 ARG HA H 1 3.688 0.007 . 2 . . . A 63 . . . 6138 1 580 . 1 1 63 63 ARG HB2 H 1 2.232 0.034 . 2 . . . A 63 . . . 6138 1 581 . 1 1 63 63 ARG HB3 H 1 2.152 0.006 . 2 . . . A 63 . . . 6138 1 582 . 1 1 63 63 ARG HD2 H 1 3.240 0.015 . 2 . . . A 63 . . . 6138 1 583 . 1 1 63 63 ARG HE H 1 7.697 0.004 . 2 . . . A 63 . . . 6138 1 584 . 1 1 63 63 ARG HG2 H 1 1.678 0.005 . 2 . . . A 63 . . . 6138 1 585 . 1 1 63 63 ARG HG3 H 1 1.421 0.005 . 2 . . . A 63 . . . 6138 1 586 . 1 1 63 63 ARG H H 1 8.605 0.005 . 2 . . . A 63 . . . 6138 1 587 . 1 1 63 63 ARG N N 15 120.650 0.083 . 2 . . . A 63 . . . 6138 1 588 . 1 1 63 63 ARG NE N 15 86.368 0.065 . 2 . . . A 63 . . . 6138 1 589 . 1 1 64 64 ALA C C 13 179.984 0.000 . 2 . . . A 64 . . . 6138 1 590 . 1 1 64 64 ALA CA C 13 55.030 0.055 . 2 . . . A 64 . . . 6138 1 591 . 1 1 64 64 ALA CB C 13 18.666 0.040 . 2 . . . A 64 . . . 6138 1 592 . 1 1 64 64 ALA HA H 1 3.812 0.009 . 2 . . . A 64 . . . 6138 1 593 . 1 1 64 64 ALA H H 1 6.618 0.005 . 2 . . . A 64 . . . 6138 1 594 . 1 1 64 64 ALA N N 15 121.786 0.125 . 2 . . . A 64 . . . 6138 1 595 . 1 1 64 64 ALA HB1 H 1 1.305 0.006 . 1 . . . A 64 . . . 6138 1 596 . 1 1 64 64 ALA HB2 H 1 1.305 0.006 . 1 . . . A 64 . . . 6138 1 597 . 1 1 64 64 ALA HB3 H 1 1.305 0.006 . 1 . . . A 64 . . . 6138 1 598 . 1 1 65 65 LEU C C 13 179.266 0.000 . 2 . . . A 65 . . . 6138 1 599 . 1 1 65 65 LEU CA C 13 57.412 0.044 . 2 . . . A 65 . . . 6138 1 600 . 1 1 65 65 LEU CB C 13 41.027 0.037 . 2 . . . A 65 . . . 6138 1 601 . 1 1 65 65 LEU CD1 C 13 26.002 0.047 . 2 . . . A 65 . . . 6138 1 602 . 1 1 65 65 LEU CD2 C 13 21.465 0.052 . 2 . . . A 65 . . . 6138 1 603 . 1 1 65 65 LEU CG C 13 25.925 0.034 . 2 . . . A 65 . . . 6138 1 604 . 1 1 65 65 LEU HA H 1 3.707 0.008 . 2 . . . A 65 . . . 6138 1 605 . 1 1 65 65 LEU HB2 H 1 0.695 0.009 . 2 . . . A 65 . . . 6138 1 606 . 1 1 65 65 LEU HB3 H 1 1.532 0.007 . 2 . . . A 65 . . . 6138 1 607 . 1 1 65 65 LEU HG H 1 0.838 0.014 . 2 . . . A 65 . . . 6138 1 608 . 1 1 65 65 LEU H H 1 7.811 0.009 . 2 . . . A 65 . . . 6138 1 609 . 1 1 65 65 LEU N N 15 119.478 0.091 . 2 . . . A 65 . . . 6138 1 610 . 1 1 65 65 LEU HD11 H 1 -0.026 0.014 . 2 . . . A 65 . . . 6138 1 611 . 1 1 65 65 LEU HD12 H 1 -0.026 0.014 . 2 . . . A 65 . . . 6138 1 612 . 1 1 65 65 LEU HD13 H 1 -0.026 0.014 . 2 . . . A 65 . . . 6138 1 613 . 1 1 65 65 LEU HD21 H 1 -0.514 0.009 . 2 . . . A 65 . . . 6138 1 614 . 1 1 65 65 LEU HD22 H 1 -0.514 0.009 . 2 . . . A 65 . . . 6138 1 615 . 1 1 65 65 LEU HD23 H 1 -0.514 0.009 . 2 . . . A 65 . . . 6138 1 616 . 1 1 66 66 GLY C C 13 174.001 0.000 . 2 . . . A 66 . . . 6138 1 617 . 1 1 66 66 GLY CA C 13 47.654 0.058 . 2 . . . A 66 . . . 6138 1 618 . 1 1 66 66 GLY HA2 H 1 3.402 0.009 . 2 . . . A 66 . . . 6138 1 619 . 1 1 66 66 GLY HA3 H 1 4.033 0.007 . 2 . . . A 66 . . . 6138 1 620 . 1 1 66 66 GLY H H 1 8.006 0.008 . 2 . . . A 66 . . . 6138 1 621 . 1 1 66 66 GLY N N 15 104.542 0.106 . 2 . . . A 66 . . . 6138 1 622 . 1 1 67 67 LYS C C 13 176.024 0.000 . 2 . . . A 67 . . . 6138 1 623 . 1 1 67 67 LYS CA C 13 57.304 0.062 . 2 . . . A 67 . . . 6138 1 624 . 1 1 67 67 LYS CB C 13 32.979 0.066 . 2 . . . A 67 . . . 6138 1 625 . 1 1 67 67 LYS CD C 13 29.307 0.042 . 2 . . . A 67 . . . 6138 1 626 . 1 1 67 67 LYS CE C 13 41.359 0.130 . 2 . . . A 67 . . . 6138 1 627 . 1 1 67 67 LYS CG C 13 25.392 0.070 . 2 . . . A 67 . . . 6138 1 628 . 1 1 67 67 LYS HA H 1 4.172 0.007 . 2 . . . A 67 . . . 6138 1 629 . 1 1 67 67 LYS HB2 H 1 1.549 0.013 . 2 . . . A 67 . . . 6138 1 630 . 1 1 67 67 LYS HB3 H 1 1.999 0.016 . 2 . . . A 67 . . . 6138 1 631 . 1 1 67 67 LYS HD2 H 1 1.428 0.005 . 2 . . . A 67 . . . 6138 1 632 . 1 1 67 67 LYS HD3 H 1 1.573 0.001 . 2 . . . A 67 . . . 6138 1 633 . 1 1 67 67 LYS HE2 H 1 2.891 0.010 . 2 . . . A 67 . . . 6138 1 634 . 1 1 67 67 LYS HE3 H 1 3.021 0.006 . 2 . . . A 67 . . . 6138 1 635 . 1 1 67 67 LYS HG2 H 1 1.693 0.006 . 2 . . . A 67 . . . 6138 1 636 . 1 1 67 67 LYS HG3 H 1 1.430 0.008 . 2 . . . A 67 . . . 6138 1 637 . 1 1 67 67 LYS H H 1 7.860 0.009 . 2 . . . A 67 . . . 6138 1 638 . 1 1 67 67 LYS N N 15 116.448 0.094 . 2 . . . A 67 . . . 6138 1 639 . 1 1 68 68 MET C C 13 175.692 0.000 . 2 . . . A 68 . . . 6138 1 640 . 1 1 68 68 MET CA C 13 55.616 0.052 . 2 . . . A 68 . . . 6138 1 641 . 1 1 68 68 MET CB C 13 29.202 0.050 . 2 . . . A 68 . . . 6138 1 642 . 1 1 68 68 MET CG C 13 32.660 0.021 . 2 . . . A 68 . . . 6138 1 643 . 1 1 68 68 MET HA H 1 4.345 0.003 . 2 . . . A 68 . . . 6138 1 644 . 1 1 68 68 MET HB2 H 1 2.385 0.003 . 2 . . . A 68 . . . 6138 1 645 . 1 1 68 68 MET HG2 H 1 2.831 0.006 . 2 . . . A 68 . . . 6138 1 646 . 1 1 68 68 MET H H 1 7.969 0.006 . 2 . . . A 68 . . . 6138 1 647 . 1 1 68 68 MET N N 15 119.380 0.104 . 2 . . . A 68 . . . 6138 1 648 . 1 1 69 69 SER C C 13 174.393 0.000 . 2 . . . A 69 . . . 6138 1 649 . 1 1 69 69 SER CA C 13 55.584 0.044 . 2 . . . A 69 . . . 6138 1 650 . 1 1 69 69 SER CB C 13 65.940 0.073 . 2 . . . A 69 . . . 6138 1 651 . 1 1 69 69 SER HA H 1 4.819 0.014 . 2 . . . A 69 . . . 6138 1 652 . 1 1 69 69 SER HB2 H 1 3.784 0.013 . 2 . . . A 69 . . . 6138 1 653 . 1 1 69 69 SER HB3 H 1 3.599 0.011 . 2 . . . A 69 . . . 6138 1 654 . 1 1 69 69 SER H H 1 8.533 0.005 . 2 . . . A 69 . . . 6138 1 655 . 1 1 69 69 SER N N 15 114.013 0.106 . 2 . . . A 69 . . . 6138 1 656 . 1 1 70 70 LYS C C 13 175.583 0.000 . 2 . . . A 70 . . . 6138 1 657 . 1 1 70 70 LYS CA C 13 55.174 0.060 . 2 . . . A 70 . . . 6138 1 658 . 1 1 70 70 LYS CB C 13 32.751 0.111 . 2 . . . A 70 . . . 6138 1 659 . 1 1 70 70 LYS CD C 13 29.396 0.041 . 2 . . . A 70 . . . 6138 1 660 . 1 1 70 70 LYS CE C 13 41.981 0.066 . 2 . . . A 70 . . . 6138 1 661 . 1 1 70 70 LYS CG C 13 24.979 0.070 . 2 . . . A 70 . . . 6138 1 662 . 1 1 70 70 LYS HA H 1 4.592 0.006 . 2 . . . A 70 . . . 6138 1 663 . 1 1 70 70 LYS HB2 H 1 2.076 0.004 . 2 . . . A 70 . . . 6138 1 664 . 1 1 70 70 LYS HD3 H 1 1.563 0.010 . 2 . . . A 70 . . . 6138 1 665 . 1 1 70 70 LYS HE3 H 1 2.761 0.004 . 2 . . . A 70 . . . 6138 1 666 . 1 1 70 70 LYS HG2 H 1 1.463 0.012 . 2 . . . A 70 . . . 6138 1 667 . 1 1 70 70 LYS HG3 H 1 1.322 0.008 . 2 . . . A 70 . . . 6138 1 668 . 1 1 70 70 LYS H H 1 8.587 0.004 . 2 . . . A 70 . . . 6138 1 669 . 1 1 70 70 LYS N N 15 123.715 0.111 . 2 . . . A 70 . . . 6138 1 670 . 1 1 71 71 ASN C C 13 176.905 0.000 . 2 . . . A 71 . . . 6138 1 671 . 1 1 71 71 ASN CA C 13 52.982 0.065 . 2 . . . A 71 . . . 6138 1 672 . 1 1 71 71 ASN CB C 13 38.509 0.116 . 2 . . . A 71 . . . 6138 1 673 . 1 1 71 71 ASN HA H 1 4.645 0.008 . 2 . . . A 71 . . . 6138 1 674 . 1 1 71 71 ASN HB2 H 1 2.676 0.004 . 2 . . . A 71 . . . 6138 1 675 . 1 1 71 71 ASN HB3 H 1 2.948 0.006 . 2 . . . A 71 . . . 6138 1 676 . 1 1 71 71 ASN HD21 H 1 7.631 0.002 . 2 . . . A 71 . . . 6138 1 677 . 1 1 71 71 ASN HD22 H 1 7.028 0.002 . 2 . . . A 71 . . . 6138 1 678 . 1 1 71 71 ASN H H 1 8.443 0.010 . 2 . . . A 71 . . . 6138 1 679 . 1 1 71 71 ASN N N 15 121.539 0.109 . 2 . . . A 71 . . . 6138 1 680 . 1 1 71 71 ASN ND2 N 15 114.654 0.065 . 2 . . . A 71 . . . 6138 1 681 . 1 1 72 72 GLU C C 13 178.923 0.000 . 2 . . . A 72 . . . 6138 1 682 . 1 1 72 72 GLU CA C 13 60.119 0.068 . 2 . . . A 72 . . . 6138 1 683 . 1 1 72 72 GLU CB C 13 29.568 0.042 . 2 . . . A 72 . . . 6138 1 684 . 1 1 72 72 GLU CG C 13 36.285 0.038 . 2 . . . A 72 . . . 6138 1 685 . 1 1 72 72 GLU HA H 1 3.931 0.007 . 2 . . . A 72 . . . 6138 1 686 . 1 1 72 72 GLU HB2 H 1 2.098 0.009 . 2 . . . A 72 . . . 6138 1 687 . 1 1 72 72 GLU HG2 H 1 2.380 0.006 . 2 . . . A 72 . . . 6138 1 688 . 1 1 72 72 GLU H H 1 9.181 0.004 . 2 . . . A 72 . . . 6138 1 689 . 1 1 72 72 GLU N N 15 127.497 0.090 . 2 . . . A 72 . . . 6138 1 690 . 1 1 73 73 GLU C C 13 177.117 0.000 . 2 . . . A 73 . . . 6138 1 691 . 1 1 73 73 GLU CA C 13 58.306 0.042 . 2 . . . A 73 . . . 6138 1 692 . 1 1 73 73 GLU CB C 13 28.902 0.073 . 2 . . . A 73 . . . 6138 1 693 . 1 1 73 73 GLU CG C 13 35.869 0.063 . 2 . . . A 73 . . . 6138 1 694 . 1 1 73 73 GLU HA H 1 4.132 0.010 . 2 . . . A 73 . . . 6138 1 695 . 1 1 73 73 GLU HB2 H 1 1.991 0.007 . 2 . . . A 73 . . . 6138 1 696 . 1 1 73 73 GLU HG3 H 1 2.247 0.026 . 2 . . . A 73 . . . 6138 1 697 . 1 1 73 73 GLU H H 1 9.170 0.002 . 2 . . . A 73 . . . 6138 1 698 . 1 1 73 73 GLU N N 15 118.713 0.115 . 2 . . . A 73 . . . 6138 1 699 . 1 1 74 74 ASP CA C 13 54.757 0.031 . 2 . . . A 74 . . . 6138 1 700 . 1 1 74 74 ASP CB C 13 41.226 0.058 . 2 . . . A 74 . . . 6138 1 701 . 1 1 74 74 ASP HA H 1 4.719 0.003 . 2 . . . A 74 . . . 6138 1 702 . 1 1 74 74 ASP HB2 H 1 2.558 0.008 . 2 . . . A 74 . . . 6138 1 703 . 1 1 74 74 ASP HB3 H 1 2.696 0.009 . 2 . . . A 74 . . . 6138 1 704 . 1 1 74 74 ASP H H 1 7.827 0.005 . 2 . . . A 74 . . . 6138 1 705 . 1 1 74 74 ASP N N 15 117.044 0.113 . 2 . . . A 74 . . . 6138 1 706 . 1 1 75 75 VAL C C 13 173.320 0.000 . 2 . . . A 75 . . . 6138 1 707 . 1 1 75 75 VAL CA C 13 63.706 0.082 . 2 . . . A 75 . . . 6138 1 708 . 1 1 75 75 VAL CB C 13 29.024 0.065 . 2 . . . A 75 . . . 6138 1 709 . 1 1 75 75 VAL CG1 C 13 23.265 0.097 . 2 . . . A 75 . . . 6138 1 710 . 1 1 75 75 VAL CG2 C 13 21.482 0.030 . 2 . . . A 75 . . . 6138 1 711 . 1 1 75 75 VAL HA H 1 3.542 0.005 . 2 . . . A 75 . . . 6138 1 712 . 1 1 75 75 VAL HB H 1 2.455 0.004 . 2 . . . A 75 . . . 6138 1 713 . 1 1 75 75 VAL H H 1 7.530 0.004 . 2 . . . A 75 . . . 6138 1 714 . 1 1 75 75 VAL N N 15 122.290 0.110 . 2 . . . A 75 . . . 6138 1 715 . 1 1 75 75 VAL HG11 H 1 1.011 0.007 . 2 . . . A 75 . . . 6138 1 716 . 1 1 75 75 VAL HG12 H 1 1.011 0.007 . 2 . . . A 75 . . . 6138 1 717 . 1 1 75 75 VAL HG13 H 1 1.011 0.007 . 2 . . . A 75 . . . 6138 1 718 . 1 1 75 75 VAL HG21 H 1 0.999 0.003 . 2 . . . A 75 . . . 6138 1 719 . 1 1 75 75 VAL HG22 H 1 0.999 0.003 . 2 . . . A 75 . . . 6138 1 720 . 1 1 75 75 VAL HG23 H 1 0.999 0.003 . 2 . . . A 75 . . . 6138 1 721 . 1 1 76 76 SER CA C 13 53.995 0.049 . 2 . . . A 76 . . . 6138 1 722 . 1 1 76 76 SER CB C 13 65.315 0.060 . 2 . . . A 76 . . . 6138 1 723 . 1 1 76 76 SER HA H 1 5.136 0.008 . 2 . . . A 76 . . . 6138 1 724 . 1 1 76 76 SER HB2 H 1 4.087 0.013 . 2 . . . A 76 . . . 6138 1 725 . 1 1 76 76 SER HB3 H 1 3.306 0.017 . 2 . . . A 76 . . . 6138 1 726 . 1 1 76 76 SER H H 1 7.290 0.005 . 2 . . . A 76 . . . 6138 1 727 . 1 1 76 76 SER N N 15 125.098 0.099 . 2 . . . A 76 . . . 6138 1 728 . 1 1 77 77 PRO C C 13 177.213 0.000 . 2 . . . A 77 . . . 6138 1 729 . 1 1 77 77 PRO CA C 13 62.725 0.090 . 2 . . . A 77 . . . 6138 1 730 . 1 1 77 77 PRO CB C 13 33.074 0.020 . 2 . . . A 77 . . . 6138 1 731 . 1 1 77 77 PRO CD C 13 50.914 0.032 . 2 . . . A 77 . . . 6138 1 732 . 1 1 77 77 PRO CG C 13 26.212 0.049 . 2 . . . A 77 . . . 6138 1 733 . 1 1 77 77 PRO HA H 1 4.618 0.006 . 2 . . . A 77 . . . 6138 1 734 . 1 1 77 77 PRO HB3 H 1 1.953 0.012 . 2 . . . A 77 . . . 6138 1 735 . 1 1 77 77 PRO HD2 H 1 3.882 0.014 . 2 . . . A 77 . . . 6138 1 736 . 1 1 77 77 PRO HD3 H 1 4.012 0.009 . 2 . . . A 77 . . . 6138 1 737 . 1 1 77 77 PRO HG2 H 1 1.941 0.017 . 2 . . . A 77 . . . 6138 1 738 . 1 1 77 77 PRO HG3 H 1 2.096 0.011 . 2 . . . A 77 . . . 6138 1 739 . 1 1 78 78 SER C C 13 176.011 0.000 . 2 . . . A 78 . . . 6138 1 740 . 1 1 78 78 SER CA C 13 58.774 0.067 . 2 . . . A 78 . . . 6138 1 741 . 1 1 78 78 SER CB C 13 63.503 0.065 . 2 . . . A 78 . . . 6138 1 742 . 1 1 78 78 SER HA H 1 4.164 0.005 . 2 . . . A 78 . . . 6138 1 743 . 1 1 78 78 SER HB2 H 1 3.871 0.015 . 2 . . . A 78 . . . 6138 1 744 . 1 1 78 78 SER HB3 H 1 3.781 0.004 . 2 . . . A 78 . . . 6138 1 745 . 1 1 78 78 SER H H 1 7.866 0.011 . 2 . . . A 78 . . . 6138 1 746 . 1 1 78 78 SER N N 15 113.380 0.125 . 2 . . . A 78 . . . 6138 1 747 . 1 1 79 79 LEU C C 13 177.852 0.000 . 2 . . . A 79 . . . 6138 1 748 . 1 1 79 79 LEU CA C 13 53.466 0.074 . 2 . . . A 79 . . . 6138 1 749 . 1 1 79 79 LEU CB C 13 40.729 0.074 . 2 . . . A 79 . . . 6138 1 750 . 1 1 79 79 LEU CD1 C 13 25.442 0.051 . 2 . . . A 79 . . . 6138 1 751 . 1 1 79 79 LEU CD2 C 13 23.210 0.100 . 2 . . . A 79 . . . 6138 1 752 . 1 1 79 79 LEU CG C 13 27.218 0.039 . 2 . . . A 79 . . . 6138 1 753 . 1 1 79 79 LEU HA H 1 4.420 0.005 . 2 . . . A 79 . . . 6138 1 754 . 1 1 79 79 LEU HB3 H 1 1.666 0.005 . 2 . . . A 79 . . . 6138 1 755 . 1 1 79 79 LEU HG H 1 1.811 0.006 . 2 . . . A 79 . . . 6138 1 756 . 1 1 79 79 LEU H H 1 8.865 0.009 . 2 . . . A 79 . . . 6138 1 757 . 1 1 79 79 LEU N N 15 127.998 0.095 . 2 . . . A 79 . . . 6138 1 758 . 1 1 79 79 LEU HD11 H 1 0.888 0.005 . 2 . . . A 79 . . . 6138 1 759 . 1 1 79 79 LEU HD12 H 1 0.888 0.005 . 2 . . . A 79 . . . 6138 1 760 . 1 1 79 79 LEU HD13 H 1 0.888 0.005 . 2 . . . A 79 . . . 6138 1 761 . 1 1 79 79 LEU HD21 H 1 0.623 0.009 . 2 . . . A 79 . . . 6138 1 762 . 1 1 79 79 LEU HD22 H 1 0.623 0.009 . 2 . . . A 79 . . . 6138 1 763 . 1 1 79 79 LEU HD23 H 1 0.623 0.009 . 2 . . . A 79 . . . 6138 1 764 . 1 1 80 80 GLU C C 13 178.135 0.000 . 2 . . . A 80 . . . 6138 1 765 . 1 1 80 80 GLU CA C 13 57.952 0.049 . 2 . . . A 80 . . . 6138 1 766 . 1 1 80 80 GLU CB C 13 29.511 0.025 . 2 . . . A 80 . . . 6138 1 767 . 1 1 80 80 GLU CG C 13 35.916 0.028 . 2 . . . A 80 . . . 6138 1 768 . 1 1 80 80 GLU HA H 1 4.035 0.004 . 2 . . . A 80 . . . 6138 1 769 . 1 1 80 80 GLU HB2 H 1 1.912 0.006 . 2 . . . A 80 . . . 6138 1 770 . 1 1 80 80 GLU HG3 H 1 2.257 0.004 . 2 . . . A 80 . . . 6138 1 771 . 1 1 80 80 GLU H H 1 7.850 0.003 . 2 . . . A 80 . . . 6138 1 772 . 1 1 80 80 GLU N N 15 123.127 0.101 . 2 . . . A 80 . . . 6138 1 773 . 1 1 81 81 GLY CA C 13 45.488 0.049 . 2 . . . A 81 . . . 6138 1 774 . 1 1 81 81 GLY HA2 H 1 3.725 0.007 . 2 . . . A 81 . . . 6138 1 775 . 1 1 81 81 GLY HA3 H 1 4.231 0.006 . 2 . . . A 81 . . . 6138 1 776 . 1 1 81 81 GLY H H 1 9.105 0.005 . 2 . . . A 81 . . . 6138 1 777 . 1 1 81 81 GLY N N 15 114.863 0.118 . 2 . . . A 81 . . . 6138 1 778 . 1 1 82 82 LEU C C 13 178.151 0.000 . 2 . . . A 82 . . . 6138 1 779 . 1 1 82 82 LEU CA C 13 55.262 0.066 . 2 . . . A 82 . . . 6138 1 780 . 1 1 82 82 LEU CB C 13 41.270 0.087 . 2 . . . A 82 . . . 6138 1 781 . 1 1 82 82 LEU CD1 C 13 25.910 0.052 . 2 . . . A 82 . . . 6138 1 782 . 1 1 82 82 LEU CD2 C 13 23.343 0.062 . 2 . . . A 82 . . . 6138 1 783 . 1 1 82 82 LEU CG C 13 27.906 0.241 . 2 . . . A 82 . . . 6138 1 784 . 1 1 82 82 LEU HA H 1 4.656 0.006 . 2 . . . A 82 . . . 6138 1 785 . 1 1 82 82 LEU HB2 H 1 1.786 0.006 . 2 . . . A 82 . . . 6138 1 786 . 1 1 82 82 LEU HB3 H 1 1.680 0.011 . 2 . . . A 82 . . . 6138 1 787 . 1 1 82 82 LEU HG H 1 1.712 0.015 . 2 . . . A 82 . . . 6138 1 788 . 1 1 82 82 LEU H H 1 7.345 0.005 . 2 . . . A 82 . . . 6138 1 789 . 1 1 82 82 LEU N N 15 121.978 0.094 . 2 . . . A 82 . . . 6138 1 790 . 1 1 82 82 LEU HD11 H 1 0.844 0.005 . 2 . . . A 82 . . . 6138 1 791 . 1 1 82 82 LEU HD12 H 1 0.844 0.005 . 2 . . . A 82 . . . 6138 1 792 . 1 1 82 82 LEU HD13 H 1 0.844 0.005 . 2 . . . A 82 . . . 6138 1 793 . 1 1 82 82 LEU HD21 H 1 0.828 0.006 . 2 . . . A 82 . . . 6138 1 794 . 1 1 82 82 LEU HD22 H 1 0.828 0.006 . 2 . . . A 82 . . . 6138 1 795 . 1 1 82 82 LEU HD23 H 1 0.828 0.006 . 2 . . . A 82 . . . 6138 1 796 . 1 1 83 83 THR C C 13 174.965 0.000 . 2 . . . A 83 . . . 6138 1 797 . 1 1 83 83 THR CA C 13 60.606 0.042 . 2 . . . A 83 . . . 6138 1 798 . 1 1 83 83 THR CB C 13 71.326 0.111 . 2 . . . A 83 . . . 6138 1 799 . 1 1 83 83 THR CG2 C 13 21.817 0.044 . 2 . . . A 83 . . . 6138 1 800 . 1 1 83 83 THR HA H 1 4.394 0.007 . 2 . . . A 83 . . . 6138 1 801 . 1 1 83 83 THR HB H 1 4.757 0.004 . 2 . . . A 83 . . . 6138 1 802 . 1 1 83 83 THR H H 1 9.391 0.032 . 2 . . . A 83 . . . 6138 1 803 . 1 1 83 83 THR N N 15 116.189 0.097 . 2 . . . A 83 . . . 6138 1 804 . 1 1 83 83 THR HG21 H 1 1.361 0.008 . 1 . . . A 83 . . . 6138 1 805 . 1 1 83 83 THR HG22 H 1 1.361 0.008 . 1 . . . A 83 . . . 6138 1 806 . 1 1 83 83 THR HG23 H 1 1.361 0.008 . 1 . . . A 83 . . . 6138 1 807 . 1 1 84 84 GLU C C 13 178.553 0.000 . 2 . . . A 84 . . . 6138 1 808 . 1 1 84 84 GLU CA C 13 60.069 0.093 . 2 . . . A 84 . . . 6138 1 809 . 1 1 84 84 GLU CB C 13 29.463 0.045 . 2 . . . A 84 . . . 6138 1 810 . 1 1 84 84 GLU CG C 13 36.349 0.068 . 2 . . . A 84 . . . 6138 1 811 . 1 1 84 84 GLU HA H 1 3.979 0.015 . 2 . . . A 84 . . . 6138 1 812 . 1 1 84 84 GLU HB2 H 1 2.096 0.020 . 2 . . . A 84 . . . 6138 1 813 . 1 1 84 84 GLU HB3 H 1 2.076 0.011 . 2 . . . A 84 . . . 6138 1 814 . 1 1 84 84 GLU HG2 H 1 2.379 0.014 . 2 . . . A 84 . . . 6138 1 815 . 1 1 84 84 GLU HG3 H 1 2.277 0.010 . 2 . . . A 84 . . . 6138 1 816 . 1 1 84 84 GLU H H 1 8.900 0.003 . 2 . . . A 84 . . . 6138 1 817 . 1 1 84 84 GLU N N 15 121.624 0.120 . 2 . . . A 84 . . . 6138 1 818 . 1 1 85 85 LYS C C 13 179.562 0.000 . 2 . . . A 85 . . . 6138 1 819 . 1 1 85 85 LYS CA C 13 59.428 0.086 . 2 . . . A 85 . . . 6138 1 820 . 1 1 85 85 LYS CB C 13 32.616 0.013 . 2 . . . A 85 . . . 6138 1 821 . 1 1 85 85 LYS CD C 13 29.300 0.084 . 2 . . . A 85 . . . 6138 1 822 . 1 1 85 85 LYS CE C 13 42.151 0.023 . 2 . . . A 85 . . . 6138 1 823 . 1 1 85 85 LYS CG C 13 25.146 0.082 . 2 . . . A 85 . . . 6138 1 824 . 1 1 85 85 LYS HA H 1 4.127 0.006 . 2 . . . A 85 . . . 6138 1 825 . 1 1 85 85 LYS HB2 H 1 1.868 0.027 . 2 . . . A 85 . . . 6138 1 826 . 1 1 85 85 LYS HB3 H 1 1.801 0.001 . 2 . . . A 85 . . . 6138 1 827 . 1 1 85 85 LYS HD2 H 1 1.724 0.018 . 2 . . . A 85 . . . 6138 1 828 . 1 1 85 85 LYS HE2 H 1 3.011 0.010 . 2 . . . A 85 . . . 6138 1 829 . 1 1 85 85 LYS HG2 H 1 1.427 0.011 . 2 . . . A 85 . . . 6138 1 830 . 1 1 85 85 LYS HG3 H 1 1.534 0.019 . 2 . . . A 85 . . . 6138 1 831 . 1 1 85 85 LYS H H 1 8.120 0.006 . 2 . . . A 85 . . . 6138 1 832 . 1 1 85 85 LYS N N 15 119.489 0.106 . 2 . . . A 85 . . . 6138 1 833 . 1 1 86 86 GLU C C 13 178.928 0.000 . 2 . . . A 86 . . . 6138 1 834 . 1 1 86 86 GLU CA C 13 58.648 0.037 . 2 . . . A 86 . . . 6138 1 835 . 1 1 86 86 GLU CB C 13 30.323 0.051 . 2 . . . A 86 . . . 6138 1 836 . 1 1 86 86 GLU CG C 13 37.530 0.056 . 2 . . . A 86 . . . 6138 1 837 . 1 1 86 86 GLU HA H 1 4.178 0.008 . 2 . . . A 86 . . . 6138 1 838 . 1 1 86 86 GLU HB2 H 1 1.536 0.015 . 2 . . . A 86 . . . 6138 1 839 . 1 1 86 86 GLU HB3 H 1 2.406 0.025 . 2 . . . A 86 . . . 6138 1 840 . 1 1 86 86 GLU HG3 H 1 2.332 0.018 . 2 . . . A 86 . . . 6138 1 841 . 1 1 86 86 GLU H H 1 7.630 0.009 . 2 . . . A 86 . . . 6138 1 842 . 1 1 86 86 GLU N N 15 123.155 0.109 . 2 . . . A 86 . . . 6138 1 843 . 1 1 87 87 ILE C C 13 178.295 0.000 . 2 . . . A 87 . . . 6138 1 844 . 1 1 87 87 ILE CA C 13 63.604 0.072 . 2 . . . A 87 . . . 6138 1 845 . 1 1 87 87 ILE CB C 13 36.558 0.028 . 2 . . . A 87 . . . 6138 1 846 . 1 1 87 87 ILE CD1 C 13 11.493 0.055 . 2 . . . A 87 . . . 6138 1 847 . 1 1 87 87 ILE CG1 C 13 28.537 0.073 . 2 . . . A 87 . . . 6138 1 848 . 1 1 87 87 ILE CG2 C 13 17.314 0.022 . 2 . . . A 87 . . . 6138 1 849 . 1 1 87 87 ILE HA H 1 3.710 0.007 . 2 . . . A 87 . . . 6138 1 850 . 1 1 87 87 ILE HB H 1 2.080 0.006 . 2 . . . A 87 . . . 6138 1 851 . 1 1 87 87 ILE HG12 H 1 1.281 0.011 . 2 . . . A 87 . . . 6138 1 852 . 1 1 87 87 ILE HG13 H 1 1.566 0.008 . 2 . . . A 87 . . . 6138 1 853 . 1 1 87 87 ILE H H 1 8.675 0.006 . 2 . . . A 87 . . . 6138 1 854 . 1 1 87 87 ILE N N 15 122.867 0.105 . 2 . . . A 87 . . . 6138 1 855 . 1 1 87 87 ILE HD11 H 1 0.810 0.004 . 1 . . . A 87 . . . 6138 1 856 . 1 1 87 87 ILE HD12 H 1 0.810 0.004 . 1 . . . A 87 . . . 6138 1 857 . 1 1 87 87 ILE HD13 H 1 0.810 0.004 . 1 . . . A 87 . . . 6138 1 858 . 1 1 87 87 ILE HG21 H 1 0.926 0.003 . 1 . . . A 87 . . . 6138 1 859 . 1 1 87 87 ILE HG22 H 1 0.926 0.003 . 1 . . . A 87 . . . 6138 1 860 . 1 1 87 87 ILE HG23 H 1 0.926 0.003 . 1 . . . A 87 . . . 6138 1 861 . 1 1 88 88 ASN C C 13 178.446 0.000 . 2 . . . A 88 . . . 6138 1 862 . 1 1 88 88 ASN CA C 13 56.429 0.077 . 2 . . . A 88 . . . 6138 1 863 . 1 1 88 88 ASN CB C 13 37.733 0.074 . 2 . . . A 88 . . . 6138 1 864 . 1 1 88 88 ASN HA H 1 4.508 0.011 . 2 . . . A 88 . . . 6138 1 865 . 1 1 88 88 ASN HB2 H 1 2.990 0.017 . 2 . . . A 88 . . . 6138 1 866 . 1 1 88 88 ASN HB3 H 1 2.957 0.012 . 2 . . . A 88 . . . 6138 1 867 . 1 1 88 88 ASN HD21 H 1 7.616 0.002 . 2 . . . A 88 . . . 6138 1 868 . 1 1 88 88 ASN HD22 H 1 7.058 0.003 . 2 . . . A 88 . . . 6138 1 869 . 1 1 88 88 ASN H H 1 8.430 0.007 . 2 . . . A 88 . . . 6138 1 870 . 1 1 88 88 ASN N N 15 120.408 0.092 . 2 . . . A 88 . . . 6138 1 871 . 1 1 88 88 ASN ND2 N 15 113.541 0.038 . 2 . . . A 88 . . . 6138 1 872 . 1 1 89 89 THR C C 13 176.055 0.000 . 2 . . . A 89 . . . 6138 1 873 . 1 1 89 89 THR CA C 13 67.148 0.074 . 2 . . . A 89 . . . 6138 1 874 . 1 1 89 89 THR CB C 13 68.721 0.092 . 2 . . . A 89 . . . 6138 1 875 . 1 1 89 89 THR CG2 C 13 22.473 0.040 . 2 . . . A 89 . . . 6138 1 876 . 1 1 89 89 THR HA H 1 4.011 0.004 . 2 . . . A 89 . . . 6138 1 877 . 1 1 89 89 THR HB H 1 4.898 0.007 . 2 . . . A 89 . . . 6138 1 878 . 1 1 89 89 THR H H 1 8.376 0.004 . 2 . . . A 89 . . . 6138 1 879 . 1 1 89 89 THR N N 15 121.546 0.120 . 2 . . . A 89 . . . 6138 1 880 . 1 1 89 89 THR HG21 H 1 1.552 0.004 . 1 . . . A 89 . . . 6138 1 881 . 1 1 89 89 THR HG22 H 1 1.552 0.004 . 1 . . . A 89 . . . 6138 1 882 . 1 1 89 89 THR HG23 H 1 1.552 0.004 . 1 . . . A 89 . . . 6138 1 883 . 1 1 90 90 LEU C C 13 177.644 0.000 . 2 . . . A 90 . . . 6138 1 884 . 1 1 90 90 LEU CA C 13 58.658 0.046 . 2 . . . A 90 . . . 6138 1 885 . 1 1 90 90 LEU CB C 13 41.457 0.038 . 2 . . . A 90 . . . 6138 1 886 . 1 1 90 90 LEU CD1 C 13 24.160 0.035 . 2 . . . A 90 . . . 6138 1 887 . 1 1 90 90 LEU CD2 C 13 27.837 0.049 . 2 . . . A 90 . . . 6138 1 888 . 1 1 90 90 LEU CG C 13 27.495 0.115 . 2 . . . A 90 . . . 6138 1 889 . 1 1 90 90 LEU HA H 1 4.072 0.011 . 2 . . . A 90 . . . 6138 1 890 . 1 1 90 90 LEU HB2 H 1 1.303 0.007 . 2 . . . A 90 . . . 6138 1 891 . 1 1 90 90 LEU HB3 H 1 2.392 0.006 . 2 . . . A 90 . . . 6138 1 892 . 1 1 90 90 LEU HG H 1 1.530 0.006 . 2 . . . A 90 . . . 6138 1 893 . 1 1 90 90 LEU H H 1 8.484 0.009 . 2 . . . A 90 . . . 6138 1 894 . 1 1 90 90 LEU N N 15 125.805 0.112 . 2 . . . A 90 . . . 6138 1 895 . 1 1 90 90 LEU HD11 H 1 1.079 0.007 . 2 . . . A 90 . . . 6138 1 896 . 1 1 90 90 LEU HD12 H 1 1.079 0.007 . 2 . . . A 90 . . . 6138 1 897 . 1 1 90 90 LEU HD13 H 1 1.079 0.007 . 2 . . . A 90 . . . 6138 1 898 . 1 1 90 90 LEU HD21 H 1 0.889 0.016 . 2 . . . A 90 . . . 6138 1 899 . 1 1 90 90 LEU HD22 H 1 0.889 0.016 . 2 . . . A 90 . . . 6138 1 900 . 1 1 90 90 LEU HD23 H 1 0.889 0.016 . 2 . . . A 90 . . . 6138 1 901 . 1 1 91 91 ASN C C 13 178.462 0.000 . 2 . . . A 91 . . . 6138 1 902 . 1 1 91 91 ASN CA C 13 55.551 0.050 . 2 . . . A 91 . . . 6138 1 903 . 1 1 91 91 ASN CB C 13 37.086 0.038 . 2 . . . A 91 . . . 6138 1 904 . 1 1 91 91 ASN HA H 1 4.544 0.015 . 2 . . . A 91 . . . 6138 1 905 . 1 1 91 91 ASN HB2 H 1 2.956 0.003 . 2 . . . A 91 . . . 6138 1 906 . 1 1 91 91 ASN HB3 H 1 2.991 0.019 . 2 . . . A 91 . . . 6138 1 907 . 1 1 91 91 ASN HD21 H 1 6.803 0.004 . 2 . . . A 91 . . . 6138 1 908 . 1 1 91 91 ASN HD22 H 1 7.713 0.003 . 2 . . . A 91 . . . 6138 1 909 . 1 1 91 91 ASN H H 1 8.723 0.004 . 2 . . . A 91 . . . 6138 1 910 . 1 1 91 91 ASN N N 15 120.094 0.100 . 2 . . . A 91 . . . 6138 1 911 . 1 1 91 91 ASN ND2 N 15 111.751 0.048 . 2 . . . A 91 . . . 6138 1 912 . 1 1 92 92 ASP C C 13 179.234 0.000 . 2 . . . A 92 . . . 6138 1 913 . 1 1 92 92 ASP CA C 13 57.537 0.057 . 2 . . . A 92 . . . 6138 1 914 . 1 1 92 92 ASP CB C 13 40.928 0.034 . 2 . . . A 92 . . . 6138 1 915 . 1 1 92 92 ASP HA H 1 4.457 0.006 . 2 . . . A 92 . . . 6138 1 916 . 1 1 92 92 ASP HB2 H 1 2.696 0.003 . 2 . . . A 92 . . . 6138 1 917 . 1 1 92 92 ASP HB3 H 1 2.843 0.010 . 2 . . . A 92 . . . 6138 1 918 . 1 1 92 92 ASP H H 1 8.186 0.011 . 2 . . . A 92 . . . 6138 1 919 . 1 1 92 92 ASP N N 15 123.786 0.093 . 2 . . . A 92 . . . 6138 1 920 . 1 1 93 93 TRP C C 13 178.105 0.000 . 2 . . . A 93 . . . 6138 1 921 . 1 1 93 93 TRP CA C 13 61.254 0.101 . 2 . . . A 93 . . . 6138 1 922 . 1 1 93 93 TRP CB C 13 29.282 0.051 . 2 . . . A 93 . . . 6138 1 923 . 1 1 93 93 TRP HA H 1 4.370 0.007 . 2 . . . A 93 . . . 6138 1 924 . 1 1 93 93 TRP HB2 H 1 2.881 0.018 . 2 . . . A 93 . . . 6138 1 925 . 1 1 93 93 TRP HB3 H 1 3.455 0.014 . 2 . . . A 93 . . . 6138 1 926 . 1 1 93 93 TRP HD1 H 1 7.060 0.011 . 2 . . . A 93 . . . 6138 1 927 . 1 1 93 93 TRP HE1 H 1 9.727 0.007 . 2 . . . A 93 . . . 6138 1 928 . 1 1 93 93 TRP H H 1 8.333 0.005 . 2 . . . A 93 . . . 6138 1 929 . 1 1 93 93 TRP HZ2 H 1 7.459 0.003 . 2 . . . A 93 . . . 6138 1 930 . 1 1 93 93 TRP N N 15 121.697 0.078 . 2 . . . A 93 . . . 6138 1 931 . 1 1 93 93 TRP NE1 N 15 129.515 0.063 . 2 . . . A 93 . . . 6138 1 932 . 1 1 94 94 GLU C C 13 177.510 0.000 . 2 . . . A 94 . . . 6138 1 933 . 1 1 94 94 GLU CA C 13 60.615 0.054 . 2 . . . A 94 . . . 6138 1 934 . 1 1 94 94 GLU CB C 13 30.273 0.039 . 2 . . . A 94 . . . 6138 1 935 . 1 1 94 94 GLU CG C 13 36.059 0.037 . 2 . . . A 94 . . . 6138 1 936 . 1 1 94 94 GLU HA H 1 3.691 0.008 . 2 . . . A 94 . . . 6138 1 937 . 1 1 94 94 GLU HB2 H 1 1.890 0.004 . 2 . . . A 94 . . . 6138 1 938 . 1 1 94 94 GLU HB3 H 1 2.587 0.010 . 2 . . . A 94 . . . 6138 1 939 . 1 1 94 94 GLU HG2 H 1 2.194 0.008 . 2 . . . A 94 . . . 6138 1 940 . 1 1 94 94 GLU HG3 H 1 2.281 0.011 . 2 . . . A 94 . . . 6138 1 941 . 1 1 94 94 GLU H H 1 8.734 0.005 . 2 . . . A 94 . . . 6138 1 942 . 1 1 94 94 GLU N N 15 121.304 0.086 . 2 . . . A 94 . . . 6138 1 943 . 1 1 95 95 THR C C 13 177.429 0.000 . 2 . . . A 95 . . . 6138 1 944 . 1 1 95 95 THR CA C 13 66.338 0.036 . 2 . . . A 95 . . . 6138 1 945 . 1 1 95 95 THR CB C 13 68.907 0.096 . 2 . . . A 95 . . . 6138 1 946 . 1 1 95 95 THR CG2 C 13 22.145 0.032 . 2 . . . A 95 . . . 6138 1 947 . 1 1 95 95 THR HA H 1 4.093 0.005 . 2 . . . A 95 . . . 6138 1 948 . 1 1 95 95 THR HB H 1 4.351 0.007 . 2 . . . A 95 . . . 6138 1 949 . 1 1 95 95 THR H H 1 8.146 0.003 . 2 . . . A 95 . . . 6138 1 950 . 1 1 95 95 THR N N 15 115.691 0.093 . 2 . . . A 95 . . . 6138 1 951 . 1 1 95 95 THR HG21 H 1 1.321 0.002 . 1 . . . A 95 . . . 6138 1 952 . 1 1 95 95 THR HG22 H 1 1.321 0.002 . 1 . . . A 95 . . . 6138 1 953 . 1 1 95 95 THR HG23 H 1 1.321 0.002 . 1 . . . A 95 . . . 6138 1 954 . 1 1 96 96 LYS C C 13 179.629 0.000 . 2 . . . A 96 . . . 6138 1 955 . 1 1 96 96 LYS CA C 13 59.803 0.054 . 2 . . . A 96 . . . 6138 1 956 . 1 1 96 96 LYS CB C 13 32.617 0.060 . 2 . . . A 96 . . . 6138 1 957 . 1 1 96 96 LYS CD C 13 29.132 0.057 . 2 . . . A 96 . . . 6138 1 958 . 1 1 96 96 LYS CE C 13 41.951 0.061 . 2 . . . A 96 . . . 6138 1 959 . 1 1 96 96 LYS CG C 13 25.980 0.057 . 2 . . . A 96 . . . 6138 1 960 . 1 1 96 96 LYS HA H 1 4.047 0.005 . 2 . . . A 96 . . . 6138 1 961 . 1 1 96 96 LYS HB2 H 1 1.888 0.012 . 2 . . . A 96 . . . 6138 1 962 . 1 1 96 96 LYS HB3 H 1 2.117 0.017 . 2 . . . A 96 . . . 6138 1 963 . 1 1 96 96 LYS HD2 H 1 1.113 0.016 . 2 . . . A 96 . . . 6138 1 964 . 1 1 96 96 LYS HD3 H 1 1.306 0.015 . 2 . . . A 96 . . . 6138 1 965 . 1 1 96 96 LYS HE3 H 1 2.579 0.007 . 2 . . . A 96 . . . 6138 1 966 . 1 1 96 96 LYS HG2 H 1 1.509 0.007 . 2 . . . A 96 . . . 6138 1 967 . 1 1 96 96 LYS HG3 H 1 1.317 0.010 . 2 . . . A 96 . . . 6138 1 968 . 1 1 96 96 LYS H H 1 8.039 0.004 . 2 . . . A 96 . . . 6138 1 969 . 1 1 96 96 LYS N N 15 124.325 0.125 . 2 . . . A 96 . . . 6138 1 970 . 1 1 97 97 PHE C C 13 178.061 0.000 . 2 . . . A 97 . . . 6138 1 971 . 1 1 97 97 PHE CA C 13 61.104 0.093 . 2 . . . A 97 . . . 6138 1 972 . 1 1 97 97 PHE CB C 13 37.074 0.042 . 2 . . . A 97 . . . 6138 1 973 . 1 1 97 97 PHE HA H 1 4.135 0.006 . 2 . . . A 97 . . . 6138 1 974 . 1 1 97 97 PHE HB2 H 1 1.585 0.011 . 2 . . . A 97 . . . 6138 1 975 . 1 1 97 97 PHE HB3 H 1 2.838 0.009 . 2 . . . A 97 . . . 6138 1 976 . 1 1 97 97 PHE H H 1 9.155 0.003 . 2 . . . A 97 . . . 6138 1 977 . 1 1 97 97 PHE N N 15 123.354 0.125 . 2 . . . A 97 . . . 6138 1 978 . 1 1 97 97 PHE HD1 H 1 6.788 0.000 . 4 . . . A 97 . . . 6138 1 979 . 1 1 97 97 PHE HE1 H 1 6.925 0.000 . 4 . . . A 97 . . . 6138 1 980 . 1 1 98 98 GLU C C 13 178.677 0.000 . 2 . . . A 98 . . . 6138 1 981 . 1 1 98 98 GLU CA C 13 58.966 0.046 . 2 . . . A 98 . . . 6138 1 982 . 1 1 98 98 GLU CB C 13 29.940 0.043 . 2 . . . A 98 . . . 6138 1 983 . 1 1 98 98 GLU CG C 13 37.233 0.066 . 2 . . . A 98 . . . 6138 1 984 . 1 1 98 98 GLU HA H 1 4.413 0.006 . 2 . . . A 98 . . . 6138 1 985 . 1 1 98 98 GLU HB2 H 1 2.185 0.006 . 2 . . . A 98 . . . 6138 1 986 . 1 1 98 98 GLU HB3 H 1 2.408 0.007 . 2 . . . A 98 . . . 6138 1 987 . 1 1 98 98 GLU HG2 H 1 2.808 0.006 . 2 . . . A 98 . . . 6138 1 988 . 1 1 98 98 GLU HG3 H 1 2.535 0.008 . 2 . . . A 98 . . . 6138 1 989 . 1 1 98 98 GLU H H 1 8.597 0.004 . 2 . . . A 98 . . . 6138 1 990 . 1 1 98 98 GLU N N 15 118.464 0.092 . 2 . . . A 98 . . . 6138 1 991 . 1 1 99 99 ALA C C 13 178.361 0.000 . 2 . . . A 99 . . . 6138 1 992 . 1 1 99 99 ALA CA C 13 53.554 0.025 . 2 . . . A 99 . . . 6138 1 993 . 1 1 99 99 ALA CB C 13 18.916 0.035 . 2 . . . A 99 . . . 6138 1 994 . 1 1 99 99 ALA HA H 1 4.271 0.003 . 2 . . . A 99 . . . 6138 1 995 . 1 1 99 99 ALA H H 1 7.401 0.004 . 2 . . . A 99 . . . 6138 1 996 . 1 1 99 99 ALA N N 15 119.284 0.109 . 2 . . . A 99 . . . 6138 1 997 . 1 1 99 99 ALA HB1 H 1 1.495 0.005 . 1 . . . A 99 . . . 6138 1 998 . 1 1 99 99 ALA HB2 H 1 1.495 0.005 . 1 . . . A 99 . . . 6138 1 999 . 1 1 99 99 ALA HB3 H 1 1.495 0.005 . 1 . . . A 99 . . . 6138 1 1000 . 1 1 100 100 LYS CA C 13 57.328 0.049 . 2 . . . A 100 . . . 6138 1 1001 . 1 1 100 100 LYS CB C 13 35.532 0.042 . 2 . . . A 100 . . . 6138 1 1002 . 1 1 100 100 LYS CD C 13 28.989 0.042 . 2 . . . A 100 . . . 6138 1 1003 . 1 1 100 100 LYS CE C 13 41.865 0.023 . 2 . . . A 100 . . . 6138 1 1004 . 1 1 100 100 LYS CG C 13 24.531 0.057 . 2 . . . A 100 . . . 6138 1 1005 . 1 1 100 100 LYS HA H 1 4.206 0.004 . 2 . . . A 100 . . . 6138 1 1006 . 1 1 100 100 LYS HB2 H 1 0.761 0.012 . 2 . . . A 100 . . . 6138 1 1007 . 1 1 100 100 LYS HB3 H 1 0.888 0.008 . 2 . . . A 100 . . . 6138 1 1008 . 1 1 100 100 LYS HD2 H 1 1.316 0.008 . 2 . . . A 100 . . . 6138 1 1009 . 1 1 100 100 LYS HE2 H 1 2.828 0.007 . 2 . . . A 100 . . . 6138 1 1010 . 1 1 100 100 LYS HG2 H 1 0.959 0.027 . 2 . . . A 100 . . . 6138 1 1011 . 1 1 100 100 LYS HG3 H 1 0.871 0.003 . 2 . . . A 100 . . . 6138 1 1012 . 1 1 100 100 LYS H H 1 7.276 0.009 . 2 . . . A 100 . . . 6138 1 1013 . 1 1 100 100 LYS N N 15 117.371 0.080 . 2 . . . A 100 . . . 6138 1 1014 . 1 1 101 101 TYR CA C 13 53.929 0.047 . 2 . . . A 101 . . . 6138 1 1015 . 1 1 101 101 TYR CB C 13 40.359 0.047 . 2 . . . A 101 . . . 6138 1 1016 . 1 1 101 101 TYR HA H 1 5.496 0.006 . 2 . . . A 101 . . . 6138 1 1017 . 1 1 101 101 TYR HB2 H 1 3.501 0.006 . 2 . . . A 101 . . . 6138 1 1018 . 1 1 101 101 TYR HB3 H 1 2.752 0.009 . 2 . . . A 101 . . . 6138 1 1019 . 1 1 101 101 TYR H H 1 8.886 0.006 . 2 . . . A 101 . . . 6138 1 1020 . 1 1 101 101 TYR N N 15 122.404 0.099 . 2 . . . A 101 . . . 6138 1 1021 . 1 1 101 101 TYR HD1 H 1 6.768 0.017 . 4 . . . A 101 . . . 6138 1 1022 . 1 1 101 101 TYR HE1 H 1 6.921 0.012 . 4 . . . A 101 . . . 6138 1 1023 . 1 1 102 102 PRO C C 13 176.054 0.000 . 2 . . . A 102 . . . 6138 1 1024 . 1 1 102 102 PRO CA C 13 62.599 0.059 . 2 . . . A 102 . . . 6138 1 1025 . 1 1 102 102 PRO CB C 13 32.623 0.032 . 2 . . . A 102 . . . 6138 1 1026 . 1 1 102 102 PRO CD C 13 50.481 0.053 . 2 . . . A 102 . . . 6138 1 1027 . 1 1 102 102 PRO CG C 13 27.739 0.077 . 2 . . . A 102 . . . 6138 1 1028 . 1 1 102 102 PRO HA H 1 4.595 0.006 . 2 . . . A 102 . . . 6138 1 1029 . 1 1 102 102 PRO HB2 H 1 1.871 0.010 . 2 . . . A 102 . . . 6138 1 1030 . 1 1 102 102 PRO HD2 H 1 4.582 0.011 . 2 . . . A 102 . . . 6138 1 1031 . 1 1 102 102 PRO HD3 H 1 4.168 0.009 . 2 . . . A 102 . . . 6138 1 1032 . 1 1 102 102 PRO HG2 H 1 2.351 0.011 . 2 . . . A 102 . . . 6138 1 1033 . 1 1 102 102 PRO HG3 H 1 2.220 0.008 . 2 . . . A 102 . . . 6138 1 1034 . 1 1 103 103 VAL C C 13 177.700 0.000 . 2 . . . A 103 . . . 6138 1 1035 . 1 1 103 103 VAL CA C 13 62.090 0.079 . 2 . . . A 103 . . . 6138 1 1036 . 1 1 103 103 VAL CB C 13 32.141 0.113 . 2 . . . A 103 . . . 6138 1 1037 . 1 1 103 103 VAL CG1 C 13 21.479 0.038 . 2 . . . A 103 . . . 6138 1 1038 . 1 1 103 103 VAL CG2 C 13 22.516 0.053 . 2 . . . A 103 . . . 6138 1 1039 . 1 1 103 103 VAL HA H 1 4.066 0.008 . 2 . . . A 103 . . . 6138 1 1040 . 1 1 103 103 VAL HB H 1 1.819 0.004 . 2 . . . A 103 . . . 6138 1 1041 . 1 1 103 103 VAL H H 1 8.356 0.007 . 2 . . . A 103 . . . 6138 1 1042 . 1 1 103 103 VAL N N 15 123.812 0.100 . 2 . . . A 103 . . . 6138 1 1043 . 1 1 103 103 VAL HG11 H 1 0.718 0.006 . 2 . . . A 103 . . . 6138 1 1044 . 1 1 103 103 VAL HG12 H 1 0.718 0.006 . 2 . . . A 103 . . . 6138 1 1045 . 1 1 103 103 VAL HG13 H 1 0.718 0.006 . 2 . . . A 103 . . . 6138 1 1046 . 1 1 103 103 VAL HG21 H 1 0.584 0.010 . 2 . . . A 103 . . . 6138 1 1047 . 1 1 103 103 VAL HG22 H 1 0.584 0.010 . 2 . . . A 103 . . . 6138 1 1048 . 1 1 103 103 VAL HG23 H 1 0.584 0.010 . 2 . . . A 103 . . . 6138 1 1049 . 1 1 104 104 VAL C C 13 176.316 0.000 . 2 . . . A 104 . . . 6138 1 1050 . 1 1 104 104 VAL CA C 13 60.553 0.045 . 2 . . . A 104 . . . 6138 1 1051 . 1 1 104 104 VAL CB C 13 33.294 0.063 . 2 . . . A 104 . . . 6138 1 1052 . 1 1 104 104 VAL CG1 C 13 21.690 0.162 . 2 . . . A 104 . . . 6138 1 1053 . 1 1 104 104 VAL CG2 C 13 18.532 0.020 . 2 . . . A 104 . . . 6138 1 1054 . 1 1 104 104 VAL HA H 1 4.533 0.005 . 2 . . . A 104 . . . 6138 1 1055 . 1 1 104 104 VAL HB H 1 2.085 0.003 . 2 . . . A 104 . . . 6138 1 1056 . 1 1 104 104 VAL H H 1 8.619 0.013 . 2 . . . A 104 . . . 6138 1 1057 . 1 1 104 104 VAL N N 15 119.883 0.102 . 2 . . . A 104 . . . 6138 1 1058 . 1 1 104 104 VAL HG11 H 1 0.794 0.003 . 2 . . . A 104 . . . 6138 1 1059 . 1 1 104 104 VAL HG12 H 1 0.794 0.003 . 2 . . . A 104 . . . 6138 1 1060 . 1 1 104 104 VAL HG13 H 1 0.794 0.003 . 2 . . . A 104 . . . 6138 1 1061 . 1 1 104 104 VAL HG21 H 1 0.030 0.003 . 2 . . . A 104 . . . 6138 1 1062 . 1 1 104 104 VAL HG22 H 1 0.030 0.003 . 2 . . . A 104 . . . 6138 1 1063 . 1 1 104 104 VAL HG23 H 1 0.030 0.003 . 2 . . . A 104 . . . 6138 1 1064 . 1 1 105 105 GLY C C 13 175.938 0.000 . 2 . . . A 105 . . . 6138 1 1065 . 1 1 105 105 GLY CA C 13 46.934 0.072 . 2 . . . A 105 . . . 6138 1 1066 . 1 1 105 105 GLY HA2 H 1 4.316 0.011 . 2 . . . A 105 . . . 6138 1 1067 . 1 1 105 105 GLY HA3 H 1 4.524 0.012 . 2 . . . A 105 . . . 6138 1 1068 . 1 1 105 105 GLY H H 1 7.263 0.002 . 2 . . . A 105 . . . 6138 1 1069 . 1 1 105 105 GLY N N 15 108.022 0.121 . 2 . . . A 105 . . . 6138 1 1070 . 1 1 106 106 ARG C C 13 173.602 0.000 . 2 . . . A 106 . . . 6138 1 1071 . 1 1 106 106 ARG CA C 13 54.063 0.058 . 2 . . . A 106 . . . 6138 1 1072 . 1 1 106 106 ARG CB C 13 34.118 0.045 . 2 . . . A 106 . . . 6138 1 1073 . 1 1 106 106 ARG CD C 13 43.300 0.044 . 2 . . . A 106 . . . 6138 1 1074 . 1 1 106 106 ARG CG C 13 27.025 0.088 . 2 . . . A 106 . . . 6138 1 1075 . 1 1 106 106 ARG HA H 1 5.382 0.031 . 2 . . . A 106 . . . 6138 1 1076 . 1 1 106 106 ARG HB3 H 1 1.784 0.015 . 2 . . . A 106 . . . 6138 1 1077 . 1 1 106 106 ARG HD3 H 1 3.145 0.005 . 2 . . . A 106 . . . 6138 1 1078 . 1 1 106 106 ARG HE H 1 7.326 0.008 . 2 . . . A 106 . . . 6138 1 1079 . 1 1 106 106 ARG HG2 H 1 1.442 0.013 . 2 . . . A 106 . . . 6138 1 1080 . 1 1 106 106 ARG HG3 H 1 1.542 0.008 . 2 . . . A 106 . . . 6138 1 1081 . 1 1 106 106 ARG H H 1 8.882 0.004 . 2 . . . A 106 . . . 6138 1 1082 . 1 1 106 106 ARG N N 15 122.334 0.116 . 2 . . . A 106 . . . 6138 1 1083 . 1 1 106 106 ARG NE N 15 85.610 0.023 . 2 . . . A 106 . . . 6138 1 1084 . 1 1 107 107 VAL C C 13 176.994 0.000 . 2 . . . A 107 . . . 6138 1 1085 . 1 1 107 107 VAL CA C 13 61.055 0.047 . 2 . . . A 107 . . . 6138 1 1086 . 1 1 107 107 VAL CB C 13 32.529 0.026 . 2 . . . A 107 . . . 6138 1 1087 . 1 1 107 107 VAL CG1 C 13 22.595 0.035 . 2 . . . A 107 . . . 6138 1 1088 . 1 1 107 107 VAL CG2 C 13 20.797 0.053 . 2 . . . A 107 . . . 6138 1 1089 . 1 1 107 107 VAL HA H 1 5.131 0.009 . 2 . . . A 107 . . . 6138 1 1090 . 1 1 107 107 VAL HB H 1 1.907 0.006 . 2 . . . A 107 . . . 6138 1 1091 . 1 1 107 107 VAL H H 1 8.851 0.006 . 2 . . . A 107 . . . 6138 1 1092 . 1 1 107 107 VAL N N 15 124.755 0.089 . 2 . . . A 107 . . . 6138 1 1093 . 1 1 107 107 VAL HG11 H 1 0.650 0.004 . 2 . . . A 107 . . . 6138 1 1094 . 1 1 107 107 VAL HG12 H 1 0.650 0.004 . 2 . . . A 107 . . . 6138 1 1095 . 1 1 107 107 VAL HG13 H 1 0.650 0.004 . 2 . . . A 107 . . . 6138 1 1096 . 1 1 107 107 VAL HG21 H 1 0.929 0.004 . 2 . . . A 107 . . . 6138 1 1097 . 1 1 107 107 VAL HG22 H 1 0.929 0.004 . 2 . . . A 107 . . . 6138 1 1098 . 1 1 107 107 VAL HG23 H 1 0.929 0.004 . 2 . . . A 107 . . . 6138 1 1099 . 1 1 108 108 VAL C C 13 174.820 0.000 . 2 . . . A 108 . . . 6138 1 1100 . 1 1 108 108 VAL CA C 13 60.487 0.068 . 2 . . . A 108 . . . 6138 1 1101 . 1 1 108 108 VAL CB C 13 33.769 0.041 . 2 . . . A 108 . . . 6138 1 1102 . 1 1 108 108 VAL CG1 C 13 18.990 0.043 . 2 . . . A 108 . . . 6138 1 1103 . 1 1 108 108 VAL CG2 C 13 21.511 0.039 . 2 . . . A 108 . . . 6138 1 1104 . 1 1 108 108 VAL HA H 1 4.509 0.003 . 2 . . . A 108 . . . 6138 1 1105 . 1 1 108 108 VAL HB H 1 2.205 0.006 . 2 . . . A 108 . . . 6138 1 1106 . 1 1 108 108 VAL H H 1 8.766 0.005 . 2 . . . A 108 . . . 6138 1 1107 . 1 1 108 108 VAL N N 15 125.938 0.116 . 2 . . . A 108 . . . 6138 1 1108 . 1 1 108 108 VAL HG11 H 1 0.792 0.007 . 2 . . . A 108 . . . 6138 1 1109 . 1 1 108 108 VAL HG12 H 1 0.792 0.007 . 2 . . . A 108 . . . 6138 1 1110 . 1 1 108 108 VAL HG13 H 1 0.792 0.007 . 2 . . . A 108 . . . 6138 1 1111 . 1 1 108 108 VAL HG21 H 1 0.865 0.011 . 2 . . . A 108 . . . 6138 1 1112 . 1 1 108 108 VAL HG22 H 1 0.865 0.011 . 2 . . . A 108 . . . 6138 1 1113 . 1 1 108 108 VAL HG23 H 1 0.865 0.011 . 2 . . . A 108 . . . 6138 1 1114 . 1 1 109 109 SER CA C 13 60.111 0.133 . 2 . . . A 109 . . . 6138 1 1115 . 1 1 109 109 SER CB C 13 64.785 0.114 . 2 . . . A 109 . . . 6138 1 1116 . 1 1 109 109 SER HA H 1 4.295 0.009 . 2 . . . A 109 . . . 6138 1 1117 . 1 1 109 109 SER HB3 H 1 3.890 0.004 . 2 . . . A 109 . . . 6138 1 1118 . 1 1 109 109 SER H H 1 7.965 0.002 . 2 . . . A 109 . . . 6138 1 1119 . 1 1 109 109 SER N N 15 123.903 0.094 . 2 . . . A 109 . . . 6138 1 stop_ save_