data_6147 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6147 _Entry.Title ; 1H, 15N, and 13C chemical shift assignments of the Vibrio Harveyi histidine phosphotransferase protein LuxU ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-03-16 _Entry.Accession_date 2004-03-17 _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 Dagny Ulrich . L. . 6147 2 Richele Thompson . . . 6147 3 Bonnie Bassler . . . 6147 4 John Cavanagh . . . 6147 5 J. Loria . P. . 6147 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6147 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 681 6147 '13C chemical shifts' 455 6147 '15N chemical shifts' 114 6147 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 . . 2004-07-27 . update BMRB 'updated citation' 6147 2 . . 2004-06-25 . original author 'Original Release' 6147 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6147 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15243194 _Citation.Full_citation . _Citation.Title '1H, 15N, and 13C chemical shift assignments of the Vibrio Harveyi histidine phosphotransferase protein LuxU' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 4 _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 551 _Citation.Page_last 552 _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 Dagny Ulrich . L. . 6147 1 2 Richele Thompson . . . 6147 1 3 Bonnie Bassler . . . 6147 1 4 John Cavanagh . . . 6147 1 5 J. Loria . P. . 6147 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_LuxU _Assembly.Sf_category assembly _Assembly.Sf_framecode system_LuxU _Assembly.Entry_ID 6147 _Assembly.ID 1 _Assembly.Name LuxU _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _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 6147 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 LuxU 1 $LuxU . . . native . . . . . 6147 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID LuxU system 6147 1 LuxU abbreviation 6147 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LuxU _Entity.Sf_category entity _Entity.Sf_framecode LuxU _Entity.Entry_ID 6147 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LuxU _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 ; HHHHHHMNTDVLNQQKIEEL SAEIGSDNVPVLLDIFLGEM DSYIGTLTELQGSEQLLYLK EISHALKSSAASFGADRLCE RAIAIDKKAKANQLQEQGME TSEMLALLHITRDAYRSWTN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _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 1Y6D . "Solution Structure And Dynamics Of Luxu From Vibrio Harveyi, A Phosphotransferase Protein Involved In Bacterial Quorum Sensing" . . . . . 100.00 120 100.00 100.00 1.69e-81 . . . . 6147 1 2 no GB AAD12737 . "phosphorelay protein [Vibrio harveyi]" . . . . . 95.00 114 100.00 100.00 2.87e-76 . . . . 6147 1 3 no GB ABU71911 . "hypothetical protein VIBHAR_02958 [Vibrio campbellii ATCC BAA-1116]" . . . . . 95.00 114 100.00 100.00 2.87e-76 . . . . 6147 1 4 no GB AGU95729 . "phosphorelay protein LuxU [Vibrio campbellii ATCC BAA-1116]" . . . . . 95.00 114 100.00 100.00 2.87e-76 . . . . 6147 1 5 no GB EDL67316 . "phosphorelay protein LuxU [Vibrio campbellii HY01]" . . . . . 95.00 114 97.37 97.37 5.89e-73 . . . . 6147 1 6 no REF WP_005433209 . "phosphorelay protein luxU [Vibrio campbellii]" . . . . . 95.00 114 97.37 97.37 5.89e-73 . . . . 6147 1 7 no REF WP_012128493 . "phosphorelay protein luxU [Vibrio campbellii]" . . . . . 95.00 114 100.00 100.00 2.87e-76 . . . . 6147 1 8 no REF WP_038889851 . "phosphorelay protein LuxU [Vibrio campbellii]" . . . . . 95.00 114 97.37 97.37 4.64e-73 . . . . 6147 1 9 no REF YP_001446138 . "hypothetical protein VIBHAR_02958 [Vibrio campbellii ATCC BAA-1116]" . . . . . 95.00 114 100.00 100.00 2.87e-76 . . . . 6147 1 10 no REF YP_008527901 . "phosphorelay protein LuxU [Vibrio campbellii ATCC BAA-1116]" . . . . . 95.00 114 100.00 100.00 2.87e-76 . . . . 6147 1 11 no SP A7MVC1 . "RecName: Full=Phosphorelay protein LuxU [Vibrio campbellii ATCC BAA-1116]" . . . . . 95.00 114 100.00 100.00 2.87e-76 . . . . 6147 1 12 no SP P0C5S4 . "RecName: Full=Phosphorelay protein LuxU [Vibrio harveyi]" . . . . . 95.00 114 100.00 100.00 2.87e-76 . . . . 6147 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID LuxU common 6147 1 LuxU abbreviation 6147 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 -6 HIS . 6147 1 2 -5 HIS . 6147 1 3 -4 HIS . 6147 1 4 -3 HIS . 6147 1 5 -2 HIS . 6147 1 6 -1 HIS . 6147 1 7 1 MET . 6147 1 8 2 ASN . 6147 1 9 3 THR . 6147 1 10 4 ASP . 6147 1 11 5 VAL . 6147 1 12 6 LEU . 6147 1 13 7 ASN . 6147 1 14 8 GLN . 6147 1 15 9 GLN . 6147 1 16 10 LYS . 6147 1 17 11 ILE . 6147 1 18 12 GLU . 6147 1 19 13 GLU . 6147 1 20 14 LEU . 6147 1 21 15 SER . 6147 1 22 16 ALA . 6147 1 23 17 GLU . 6147 1 24 18 ILE . 6147 1 25 19 GLY . 6147 1 26 20 SER . 6147 1 27 21 ASP . 6147 1 28 22 ASN . 6147 1 29 23 VAL . 6147 1 30 24 PRO . 6147 1 31 25 VAL . 6147 1 32 26 LEU . 6147 1 33 27 LEU . 6147 1 34 28 ASP . 6147 1 35 29 ILE . 6147 1 36 30 PHE . 6147 1 37 31 LEU . 6147 1 38 32 GLY . 6147 1 39 33 GLU . 6147 1 40 34 MET . 6147 1 41 35 ASP . 6147 1 42 36 SER . 6147 1 43 37 TYR . 6147 1 44 38 ILE . 6147 1 45 39 GLY . 6147 1 46 40 THR . 6147 1 47 41 LEU . 6147 1 48 42 THR . 6147 1 49 43 GLU . 6147 1 50 44 LEU . 6147 1 51 45 GLN . 6147 1 52 46 GLY . 6147 1 53 47 SER . 6147 1 54 48 GLU . 6147 1 55 49 GLN . 6147 1 56 50 LEU . 6147 1 57 51 LEU . 6147 1 58 52 TYR . 6147 1 59 53 LEU . 6147 1 60 54 LYS . 6147 1 61 55 GLU . 6147 1 62 56 ILE . 6147 1 63 57 SER . 6147 1 64 58 HIS . 6147 1 65 59 ALA . 6147 1 66 60 LEU . 6147 1 67 61 LYS . 6147 1 68 62 SER . 6147 1 69 63 SER . 6147 1 70 64 ALA . 6147 1 71 65 ALA . 6147 1 72 66 SER . 6147 1 73 67 PHE . 6147 1 74 68 GLY . 6147 1 75 69 ALA . 6147 1 76 70 ASP . 6147 1 77 71 ARG . 6147 1 78 72 LEU . 6147 1 79 73 CYS . 6147 1 80 74 GLU . 6147 1 81 75 ARG . 6147 1 82 76 ALA . 6147 1 83 77 ILE . 6147 1 84 78 ALA . 6147 1 85 79 ILE . 6147 1 86 80 ASP . 6147 1 87 81 LYS . 6147 1 88 82 LYS . 6147 1 89 83 ALA . 6147 1 90 84 LYS . 6147 1 91 85 ALA . 6147 1 92 86 ASN . 6147 1 93 87 GLN . 6147 1 94 88 LEU . 6147 1 95 89 GLN . 6147 1 96 90 GLU . 6147 1 97 91 GLN . 6147 1 98 92 GLY . 6147 1 99 93 MET . 6147 1 100 94 GLU . 6147 1 101 95 THR . 6147 1 102 96 SER . 6147 1 103 97 GLU . 6147 1 104 98 MET . 6147 1 105 99 LEU . 6147 1 106 100 ALA . 6147 1 107 101 LEU . 6147 1 108 102 LEU . 6147 1 109 103 HIS . 6147 1 110 104 ILE . 6147 1 111 105 THR . 6147 1 112 106 ARG . 6147 1 113 107 ASP . 6147 1 114 108 ALA . 6147 1 115 109 TYR . 6147 1 116 110 ARG . 6147 1 117 111 SER . 6147 1 118 112 TRP . 6147 1 119 113 THR . 6147 1 120 114 ASN . 6147 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 . HIS 1 1 6147 1 . HIS 2 2 6147 1 . HIS 3 3 6147 1 . HIS 4 4 6147 1 . HIS 5 5 6147 1 . HIS 6 6 6147 1 . MET 7 7 6147 1 . ASN 8 8 6147 1 . THR 9 9 6147 1 . ASP 10 10 6147 1 . VAL 11 11 6147 1 . LEU 12 12 6147 1 . ASN 13 13 6147 1 . GLN 14 14 6147 1 . GLN 15 15 6147 1 . LYS 16 16 6147 1 . ILE 17 17 6147 1 . GLU 18 18 6147 1 . GLU 19 19 6147 1 . LEU 20 20 6147 1 . SER 21 21 6147 1 . ALA 22 22 6147 1 . GLU 23 23 6147 1 . ILE 24 24 6147 1 . GLY 25 25 6147 1 . SER 26 26 6147 1 . ASP 27 27 6147 1 . ASN 28 28 6147 1 . VAL 29 29 6147 1 . PRO 30 30 6147 1 . VAL 31 31 6147 1 . LEU 32 32 6147 1 . LEU 33 33 6147 1 . ASP 34 34 6147 1 . ILE 35 35 6147 1 . PHE 36 36 6147 1 . LEU 37 37 6147 1 . GLY 38 38 6147 1 . GLU 39 39 6147 1 . MET 40 40 6147 1 . ASP 41 41 6147 1 . SER 42 42 6147 1 . TYR 43 43 6147 1 . ILE 44 44 6147 1 . GLY 45 45 6147 1 . THR 46 46 6147 1 . LEU 47 47 6147 1 . THR 48 48 6147 1 . GLU 49 49 6147 1 . LEU 50 50 6147 1 . GLN 51 51 6147 1 . GLY 52 52 6147 1 . SER 53 53 6147 1 . GLU 54 54 6147 1 . GLN 55 55 6147 1 . LEU 56 56 6147 1 . LEU 57 57 6147 1 . TYR 58 58 6147 1 . LEU 59 59 6147 1 . LYS 60 60 6147 1 . GLU 61 61 6147 1 . ILE 62 62 6147 1 . SER 63 63 6147 1 . HIS 64 64 6147 1 . ALA 65 65 6147 1 . LEU 66 66 6147 1 . LYS 67 67 6147 1 . SER 68 68 6147 1 . SER 69 69 6147 1 . ALA 70 70 6147 1 . ALA 71 71 6147 1 . SER 72 72 6147 1 . PHE 73 73 6147 1 . GLY 74 74 6147 1 . ALA 75 75 6147 1 . ASP 76 76 6147 1 . ARG 77 77 6147 1 . LEU 78 78 6147 1 . CYS 79 79 6147 1 . GLU 80 80 6147 1 . ARG 81 81 6147 1 . ALA 82 82 6147 1 . ILE 83 83 6147 1 . ALA 84 84 6147 1 . ILE 85 85 6147 1 . ASP 86 86 6147 1 . LYS 87 87 6147 1 . LYS 88 88 6147 1 . ALA 89 89 6147 1 . LYS 90 90 6147 1 . ALA 91 91 6147 1 . ASN 92 92 6147 1 . GLN 93 93 6147 1 . LEU 94 94 6147 1 . GLN 95 95 6147 1 . GLU 96 96 6147 1 . GLN 97 97 6147 1 . GLY 98 98 6147 1 . MET 99 99 6147 1 . GLU 100 100 6147 1 . THR 101 101 6147 1 . SER 102 102 6147 1 . GLU 103 103 6147 1 . MET 104 104 6147 1 . LEU 105 105 6147 1 . ALA 106 106 6147 1 . LEU 107 107 6147 1 . LEU 108 108 6147 1 . HIS 109 109 6147 1 . ILE 110 110 6147 1 . THR 111 111 6147 1 . ARG 112 112 6147 1 . ASP 113 113 6147 1 . ALA 114 114 6147 1 . TYR 115 115 6147 1 . ARG 116 116 6147 1 . SER 117 117 6147 1 . TRP 118 118 6147 1 . THR 119 119 6147 1 . ASN 120 120 6147 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 6147 _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 $LuxU . 669 . . 'Vibrio harveyi' 'Vibrio harveyi' . . Eubacteria . Vibrio harveyi . . . . . . . . . . . . . . . . . . . . . 6147 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 6147 _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 $LuxU . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6147 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6147 _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 LuxU '[U-98% 15N]' . . 1 $LuxU . . 1 . . mM . . . . 6147 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6147 _Sample.ID 2 _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 LuxU '[U-95% 13C; U-98% 15N]' . . 1 $LuxU . . 1 . . mM . . . . 6147 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6147 _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* 6.4 0.1 n/a 6147 1 temperature 294 0.1 K 6147 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6147 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6147 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6147 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 6147 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _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 6147 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian Inova . 600 . . . 6147 1 2 NMR_spectrometer_2 Varian Inova . 800 . . . 6147 1 3 NMR_spectrometer_3 Varian UnityPlus . 600 . . . 6147 1 4 NMR_spectrometer_4 Varian Inova . 500 . . . 6147 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 6147 _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 $Ex-cond_1 . . . . . . . . . . . . . . . . . . . . . 6147 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 6147 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6147 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6147 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6147 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6147 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6147 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 7 7 MET H H 1 8.752 0.028 . 1 . . . . 1 . . . 6147 1 2 . 1 1 7 7 MET N N 15 122.821 0.235 . 1 . . . . 1 . . . 6147 1 3 . 1 1 7 7 MET CA C 13 55.843 0.138 . 1 . . . . 1 . . . 6147 1 4 . 1 1 7 7 MET HA H 1 4.706 0.024 . 1 . . . . 1 . . . 6147 1 5 . 1 1 7 7 MET C C 13 176.644 0.114 . 1 . . . . 1 . . . 6147 1 6 . 1 1 7 7 MET CB C 13 32.821 0.452 . 1 . . . . 1 . . . 6147 1 7 . 1 1 7 7 MET HB2 H 1 2.266 0.032 . 1 . . . . 1 . . . 6147 1 8 . 1 1 7 7 MET HG2 H 1 1.708 0.025 . 1 . . . . 1 . . . 6147 1 9 . 1 1 7 7 MET HG3 H 1 2.736 0.034 . 1 . . . . 1 . . . 6147 1 10 . 1 1 8 8 ASN H H 1 8.876 0.022 . 1 . . . . 2 . . . 6147 1 11 . 1 1 8 8 ASN N N 15 121.145 0.145 . 1 . . . . 2 . . . 6147 1 12 . 1 1 8 8 ASN CA C 13 53.619 0.053 . 1 . . . . 2 . . . 6147 1 13 . 1 1 8 8 ASN HA H 1 5.034 0.022 . 1 . . . . 2 . . . 6147 1 14 . 1 1 8 8 ASN C C 13 176.207 0.027 . 1 . . . . 2 . . . 6147 1 15 . 1 1 8 8 ASN CB C 13 39.544 0.096 . 1 . . . . 2 . . . 6147 1 16 . 1 1 8 8 ASN HB3 H 1 3.016 0.020 . 1 . . . . 2 . . . 6147 1 17 . 1 1 9 9 THR H H 1 8.370 0.046 . 1 . . . . 3 . . . 6147 1 18 . 1 1 9 9 THR N N 15 115.278 0.133 . 1 . . . . 3 . . . 6147 1 19 . 1 1 9 9 THR CA C 13 61.681 0.198 . 1 . . . . 3 . . . 6147 1 20 . 1 1 9 9 THR HA H 1 4.558 0.037 . 1 . . . . 3 . . . 6147 1 21 . 1 1 9 9 THR C C 13 175.724 0.105 . 1 . . . . 3 . . . 6147 1 22 . 1 1 9 9 THR CB C 13 70.708 0.071 . 1 . . . . 3 . . . 6147 1 23 . 1 1 9 9 THR HB H 1 4.364 0.075 . 1 . . . . 3 . . . 6147 1 24 . 1 1 9 9 THR CG2 C 13 23.043 0.112 . 1 . . . . 3 . . . 6147 1 25 . 1 1 9 9 THR HG21 H 1 1.410 0.026 . 1 . . . . 3 . . . 6147 1 26 . 1 1 9 9 THR HG22 H 1 1.410 0.026 . 1 . . . . 3 . . . 6147 1 27 . 1 1 9 9 THR HG23 H 1 1.410 0.026 . 1 . . . . 3 . . . 6147 1 28 . 1 1 10 10 ASP H H 1 9.478 0.065 . 1 . . . . 4 . . . 6147 1 29 . 1 1 10 10 ASP N N 15 126.409 0.182 . 1 . . . . 4 . . . 6147 1 30 . 1 1 10 10 ASP CA C 13 55.296 0.097 . 1 . . . . 4 . . . 6147 1 31 . 1 1 10 10 ASP HA H 1 4.838 0.050 . 1 . . . . 4 . . . 6147 1 32 . 1 1 10 10 ASP C C 13 177.181 0.029 . 1 . . . . 4 . . . 6147 1 33 . 1 1 10 10 ASP CB C 13 41.362 0.313 . 1 . . . . 4 . . . 6147 1 34 . 1 1 10 10 ASP HB2 H 1 2.789 0.020 . 1 . . . . 4 . . . 6147 1 35 . 1 1 11 11 VAL H H 1 8.752 0.033 . 1 . . . . 5 . . . 6147 1 36 . 1 1 11 11 VAL N N 15 122.708 0.162 . 1 . . . . 5 . . . 6147 1 37 . 1 1 11 11 VAL CA C 13 65.383 0.102 . 1 . . . . 5 . . . 6147 1 38 . 1 1 11 11 VAL HA H 1 4.289 0.028 . 1 . . . . 5 . . . 6147 1 39 . 1 1 11 11 VAL C C 13 175.806 0.189 . 1 . . . . 5 . . . 6147 1 40 . 1 1 11 11 VAL CB C 13 31.033 0.558 . 1 . . . . 5 . . . 6147 1 41 . 1 1 11 11 VAL HB H 1 2.234 0.031 . 1 . . . . 5 . . . 6147 1 42 . 1 1 11 11 VAL CG1 C 13 22.479 0.214 . 1 . . . . 5 . . . 6147 1 43 . 1 1 11 11 VAL HG11 H 1 1.336 0.027 . 1 . . . . 5 . . . 6147 1 44 . 1 1 11 11 VAL HG12 H 1 1.336 0.027 . 1 . . . . 5 . . . 6147 1 45 . 1 1 11 11 VAL HG13 H 1 1.336 0.027 . 1 . . . . 5 . . . 6147 1 46 . 1 1 11 11 VAL CG2 C 13 18.915 0.232 . 1 . . . . 5 . . . 6147 1 47 . 1 1 11 11 VAL HG21 H 1 1.609 0.024 . 1 . . . . 5 . . . 6147 1 48 . 1 1 11 11 VAL HG22 H 1 1.609 0.024 . 1 . . . . 5 . . . 6147 1 49 . 1 1 11 11 VAL HG23 H 1 1.609 0.024 . 1 . . . . 5 . . . 6147 1 50 . 1 1 12 12 LEU H H 1 7.534 0.027 . 1 . . . . 6 . . . 6147 1 51 . 1 1 12 12 LEU N N 15 120.707 0.139 . 1 . . . . 6 . . . 6147 1 52 . 1 1 12 12 LEU CA C 13 55.688 0.072 . 1 . . . . 6 . . . 6147 1 53 . 1 1 12 12 LEU HA H 1 4.910 0.052 . 1 . . . . 6 . . . 6147 1 54 . 1 1 12 12 LEU C C 13 175.864 0.000 . 1 . . . . 6 . . . 6147 1 55 . 1 1 12 12 LEU CB C 13 45.006 0.103 . 1 . . . . 6 . . . 6147 1 56 . 1 1 12 12 LEU HB2 H 1 2.327 0.029 . 1 . . . . 6 . . . 6147 1 57 . 1 1 12 12 LEU HB3 H 1 1.552 0.028 . 1 . . . . 6 . . . 6147 1 58 . 1 1 12 12 LEU CG C 13 25.906 0.176 . 1 . . . . 6 . . . 6147 1 59 . 1 1 12 12 LEU CD1 C 13 24.033 0.271 . 1 . . . . 6 . . . 6147 1 60 . 1 1 12 12 LEU HD11 H 1 0.427 0.018 . 1 . . . . 6 . . . 6147 1 61 . 1 1 12 12 LEU HD12 H 1 0.427 0.018 . 1 . . . . 6 . . . 6147 1 62 . 1 1 12 12 LEU HD13 H 1 0.427 0.018 . 1 . . . . 6 . . . 6147 1 63 . 1 1 12 12 LEU CD2 C 13 26.478 0.173 . 1 . . . . 6 . . . 6147 1 64 . 1 1 12 12 LEU HD21 H 1 -0.023 0.019 . 1 . . . . 6 . . . 6147 1 65 . 1 1 12 12 LEU HD22 H 1 -0.023 0.019 . 1 . . . . 6 . . . 6147 1 66 . 1 1 12 12 LEU HD23 H 1 -0.023 0.019 . 1 . . . . 6 . . . 6147 1 67 . 1 1 12 12 LEU HG H 1 1.214 0.033 . 1 . . . . 6 . . . 6147 1 68 . 1 1 13 13 ASN H H 1 9.536 0.031 . 1 . . . . 7 . . . 6147 1 69 . 1 1 13 13 ASN N N 15 127.284 0.197 . 1 . . . . 7 . . . 6147 1 70 . 1 1 13 13 ASN CA C 13 52.513 0.062 . 1 . . . . 7 . . . 6147 1 71 . 1 1 13 13 ASN HA H 1 5.044 0.056 . 1 . . . . 7 . . . 6147 1 72 . 1 1 13 13 ASN C C 13 175.845 0.014 . 1 . . . . 7 . . . 6147 1 73 . 1 1 13 13 ASN CB C 13 38.516 0.171 . 1 . . . . 7 . . . 6147 1 74 . 1 1 13 13 ASN HB2 H 1 2.930 0.044 . 1 . . . . 7 . . . 6147 1 75 . 1 1 13 13 ASN HB3 H 1 3.461 0.044 . 1 . . . . 7 . . . 6147 1 76 . 1 1 14 14 GLN H H 1 8.981 0.058 . 1 . . . . 8 . . . 6147 1 77 . 1 1 14 14 GLN N N 15 127.475 0.128 . 1 . . . . 8 . . . 6147 1 78 . 1 1 14 14 GLN CA C 13 59.078 0.092 . 1 . . . . 8 . . . 6147 1 79 . 1 1 14 14 GLN HA H 1 3.934 0.032 . 1 . . . . 8 . . . 6147 1 80 . 1 1 14 14 GLN C C 13 179.178 0.311 . 1 . . . . 8 . . . 6147 1 81 . 1 1 14 14 GLN CB C 13 28.873 0.118 . 1 . . . . 8 . . . 6147 1 82 . 1 1 14 14 GLN HB3 H 1 2.355 0.017 . 1 . . . . 8 . . . 6147 1 83 . 1 1 14 14 GLN CG C 13 34.259 0.130 . 1 . . . . 8 . . . 6147 1 84 . 1 1 14 14 GLN HG2 H 1 3.067 0.018 . 1 . . . . 8 . . . 6147 1 85 . 1 1 14 14 GLN HG3 H 1 2.567 0.043 . 1 . . . . 8 . . . 6147 1 86 . 1 1 15 15 GLN H H 1 8.392 0.172 . 1 . . . . 9 . . . 6147 1 87 . 1 1 15 15 GLN N N 15 120.498 0.218 . 1 . . . . 9 . . . 6147 1 88 . 1 1 15 15 GLN CA C 13 59.589 0.080 . 1 . . . . 9 . . . 6147 1 89 . 1 1 15 15 GLN HA H 1 4.304 0.026 . 1 . . . . 9 . . . 6147 1 90 . 1 1 15 15 GLN C C 13 179.341 0.534 . 1 . . . . 9 . . . 6147 1 91 . 1 1 15 15 GLN CB C 13 28.792 0.147 . 1 . . . . 9 . . . 6147 1 92 . 1 1 15 15 GLN HB2 H 1 2.411 0.023 . 1 . . . . 9 . . . 6147 1 93 . 1 1 15 15 GLN HB3 H 1 2.137 0.017 . 1 . . . . 9 . . . 6147 1 94 . 1 1 15 15 GLN HG2 H 1 1.953 0.057 . 1 . . . . 9 . . . 6147 1 95 . 1 1 15 15 GLN HG3 H 1 2.661 0.032 . 1 . . . . 9 . . . 6147 1 96 . 1 1 16 16 LYS H H 1 7.719 0.031 . 1 . . . . 10 . . . 6147 1 97 . 1 1 16 16 LYS N N 15 120.896 0.127 . 1 . . . . 10 . . . 6147 1 98 . 1 1 16 16 LYS CA C 13 58.584 0.198 . 1 . . . . 10 . . . 6147 1 99 . 1 1 16 16 LYS HA H 1 4.360 0.022 . 1 . . . . 10 . . . 6147 1 100 . 1 1 16 16 LYS C C 13 180.207 0.025 . 1 . . . . 10 . . . 6147 1 101 . 1 1 16 16 LYS CB C 13 32.580 0.186 . 1 . . . . 10 . . . 6147 1 102 . 1 1 16 16 LYS HB2 H 1 2.084 0.009 . 1 . . . . 10 . . . 6147 1 103 . 1 1 16 16 LYS CG C 13 25.942 0.197 . 1 . . . . 10 . . . 6147 1 104 . 1 1 16 16 LYS HG2 H 1 1.349 0.028 . 1 . . . . 10 . . . 6147 1 105 . 1 1 16 16 LYS HG3 H 1 1.684 0.035 . 1 . . . . 10 . . . 6147 1 106 . 1 1 16 16 LYS CD C 13 28.614 0.002 . 1 . . . . 10 . . . 6147 1 107 . 1 1 16 16 LYS HD2 H 1 1.095 0.017 . 1 . . . . 10 . . . 6147 1 108 . 1 1 16 16 LYS CE C 13 42.885 0.097 . 1 . . . . 10 . . . 6147 1 109 . 1 1 16 16 LYS HE2 H 1 3.183 0.041 . 1 . . . . 10 . . . 6147 1 110 . 1 1 17 17 ILE H H 1 7.663 0.026 . 1 . . . . 11 . . . 6147 1 111 . 1 1 17 17 ILE N N 15 120.998 0.166 . 1 . . . . 11 . . . 6147 1 112 . 1 1 17 17 ILE CA C 13 65.042 0.156 . 1 . . . . 11 . . . 6147 1 113 . 1 1 17 17 ILE HA H 1 3.966 0.023 . 1 . . . . 11 . . . 6147 1 114 . 1 1 17 17 ILE C C 13 179.659 0.030 . 1 . . . . 11 . . . 6147 1 115 . 1 1 17 17 ILE CB C 13 37.514 0.171 . 1 . . . . 11 . . . 6147 1 116 . 1 1 17 17 ILE HB H 1 2.057 0.024 . 1 . . . . 11 . . . 6147 1 117 . 1 1 17 17 ILE CG2 C 13 18.207 0.157 . 1 . . . . 11 . . . 6147 1 118 . 1 1 17 17 ILE HG21 H 1 1.037 0.030 . 1 . . . . 11 . . . 6147 1 119 . 1 1 17 17 ILE HG22 H 1 1.037 0.030 . 1 . . . . 11 . . . 6147 1 120 . 1 1 17 17 ILE HG23 H 1 1.037 0.030 . 1 . . . . 11 . . . 6147 1 121 . 1 1 17 17 ILE CG1 C 13 29.272 0.372 . 1 . . . . 11 . . . 6147 1 122 . 1 1 17 17 ILE HG12 H 1 1.211 0.036 . 1 . . . . 11 . . . 6147 1 123 . 1 1 17 17 ILE HG13 H 1 1.579 0.031 . 1 . . . . 11 . . . 6147 1 124 . 1 1 17 17 ILE CD1 C 13 12.023 0.362 . 1 . . . . 11 . . . 6147 1 125 . 1 1 17 17 ILE HD11 H 1 0.644 0.038 . 1 . . . . 11 . . . 6147 1 126 . 1 1 17 17 ILE HD12 H 1 0.644 0.038 . 1 . . . . 11 . . . 6147 1 127 . 1 1 17 17 ILE HD13 H 1 0.644 0.038 . 1 . . . . 11 . . . 6147 1 128 . 1 1 18 18 GLU H H 1 8.540 0.024 . 1 . . . . 12 . . . 6147 1 129 . 1 1 18 18 GLU N N 15 123.597 0.157 . 1 . . . . 12 . . . 6147 1 130 . 1 1 18 18 GLU CA C 13 59.996 0.254 . 1 . . . . 12 . . . 6147 1 131 . 1 1 18 18 GLU HA H 1 4.351 0.039 . 1 . . . . 12 . . . 6147 1 132 . 1 1 18 18 GLU C C 13 180.935 0.112 . 1 . . . . 12 . . . 6147 1 133 . 1 1 18 18 GLU CB C 13 29.096 0.661 . 1 . . . . 12 . . . 6147 1 134 . 1 1 18 18 GLU HB2 H 1 2.486 0.031 . 1 . . . . 12 . . . 6147 1 135 . 1 1 18 18 GLU HB3 H 1 2.399 0.025 . 1 . . . . 12 . . . 6147 1 136 . 1 1 18 18 GLU CG C 13 37.263 0.171 . 1 . . . . 12 . . . 6147 1 137 . 1 1 18 18 GLU HG2 H 1 2.647 0.019 . 1 . . . . 12 . . . 6147 1 138 . 1 1 18 18 GLU HG3 H 1 2.814 0.042 . 1 . . . . 12 . . . 6147 1 139 . 1 1 19 19 GLU H H 1 8.419 0.018 . 1 . . . . 13 . . . 6147 1 140 . 1 1 19 19 GLU N N 15 123.038 0.198 . 1 . . . . 13 . . . 6147 1 141 . 1 1 19 19 GLU CA C 13 59.921 0.055 . 1 . . . . 13 . . . 6147 1 142 . 1 1 19 19 GLU HA H 1 4.362 0.015 . 1 . . . . 13 . . . 6147 1 143 . 1 1 19 19 GLU C C 13 180.302 0.020 . 1 . . . . 13 . . . 6147 1 144 . 1 1 19 19 GLU CB C 13 29.728 0.043 . 1 . . . . 13 . . . 6147 1 145 . 1 1 19 19 GLU HB2 H 1 2.354 0.025 . 1 . . . . 13 . . . 6147 1 146 . 1 1 19 19 GLU CG C 13 37.276 0.202 . 1 . . . . 13 . . . 6147 1 147 . 1 1 19 19 GLU HG2 H 1 2.759 0.018 . 1 . . . . 13 . . . 6147 1 148 . 1 1 19 19 GLU HG3 H 1 2.490 0.021 . 1 . . . . 13 . . . 6147 1 149 . 1 1 20 20 LEU H H 1 8.461 0.023 . 1 . . . . 14 . . . 6147 1 150 . 1 1 20 20 LEU N N 15 123.440 0.147 . 1 . . . . 14 . . . 6147 1 151 . 1 1 20 20 LEU CA C 13 58.199 0.245 . 1 . . . . 14 . . . 6147 1 152 . 1 1 20 20 LEU HA H 1 4.542 0.067 . 1 . . . . 14 . . . 6147 1 153 . 1 1 20 20 LEU C C 13 179.912 0.033 . 1 . . . . 14 . . . 6147 1 154 . 1 1 20 20 LEU CB C 13 42.432 0.156 . 1 . . . . 14 . . . 6147 1 155 . 1 1 20 20 LEU HB2 H 1 2.026 0.039 . 1 . . . . 14 . . . 6147 1 156 . 1 1 20 20 LEU HB3 H 1 1.943 0.021 . 1 . . . . 14 . . . 6147 1 157 . 1 1 20 20 LEU CG C 13 23.451 0.138 . 1 . . . . 14 . . . 6147 1 158 . 1 1 20 20 LEU CD1 C 13 25.083 0.387 . 1 . . . . 14 . . . 6147 1 159 . 1 1 20 20 LEU HD11 H 1 1.141 0.019 . 1 . . . . 14 . . . 6147 1 160 . 1 1 20 20 LEU HD12 H 1 1.141 0.019 . 1 . . . . 14 . . . 6147 1 161 . 1 1 20 20 LEU HD13 H 1 1.141 0.019 . 1 . . . . 14 . . . 6147 1 162 . 1 1 20 20 LEU HG H 1 3.028 0.051 . 1 . . . . 14 . . . 6147 1 163 . 1 1 21 21 SER H H 1 8.762 0.043 . 1 . . . . 15 . . . 6147 1 164 . 1 1 21 21 SER N N 15 115.099 0.163 . 1 . . . . 15 . . . 6147 1 165 . 1 1 21 21 SER CA C 13 61.717 0.261 . 1 . . . . 15 . . . 6147 1 166 . 1 1 21 21 SER HA H 1 4.100 0.014 . 1 . . . . 15 . . . 6147 1 167 . 1 1 21 21 SER C C 13 177.491 0.032 . 1 . . . . 15 . . . 6147 1 168 . 1 1 21 21 SER CB C 13 63.467 0.206 . 1 . . . . 15 . . . 6147 1 169 . 1 1 21 21 SER HB2 H 1 4.249 0.034 . 1 . . . . 15 . . . 6147 1 170 . 1 1 21 21 SER HB3 H 1 4.045 0.033 . 1 . . . . 15 . . . 6147 1 171 . 1 1 22 22 ALA H H 1 8.016 0.031 . 1 . . . . 16 . . . 6147 1 172 . 1 1 22 22 ALA N N 15 122.837 0.137 . 1 . . . . 16 . . . 6147 1 173 . 1 1 22 22 ALA CA C 13 54.937 0.119 . 1 . . . . 16 . . . 6147 1 174 . 1 1 22 22 ALA HA H 1 4.390 0.029 . 1 . . . . 16 . . . 6147 1 175 . 1 1 22 22 ALA C C 13 180.013 0.052 . 1 . . . . 16 . . . 6147 1 176 . 1 1 22 22 ALA CB C 13 18.738 0.182 . 1 . . . . 16 . . . 6147 1 177 . 1 1 22 22 ALA HB1 H 1 1.776 0.031 . 1 . . . . 16 . . . 6147 1 178 . 1 1 22 22 ALA HB2 H 1 1.776 0.031 . 1 . . . . 16 . . . 6147 1 179 . 1 1 22 22 ALA HB3 H 1 1.776 0.031 . 1 . . . . 16 . . . 6147 1 180 . 1 1 23 23 GLU H H 1 7.969 0.041 . 1 . . . . 17 . . . 6147 1 181 . 1 1 23 23 GLU N N 15 119.030 0.112 . 1 . . . . 17 . . . 6147 1 182 . 1 1 23 23 GLU CA C 13 59.000 0.192 . 1 . . . . 17 . . . 6147 1 183 . 1 1 23 23 GLU HA H 1 4.438 0.034 . 1 . . . . 17 . . . 6147 1 184 . 1 1 23 23 GLU C C 13 179.613 0.023 . 1 . . . . 17 . . . 6147 1 185 . 1 1 23 23 GLU CB C 13 30.814 0.168 . 1 . . . . 17 . . . 6147 1 186 . 1 1 23 23 GLU HB2 H 1 2.469 0.030 . 1 . . . . 17 . . . 6147 1 187 . 1 1 23 23 GLU CG C 13 36.341 0.190 . 1 . . . . 17 . . . 6147 1 188 . 1 1 23 23 GLU HG2 H 1 2.332 0.011 . 1 . . . . 17 . . . 6147 1 189 . 1 1 23 23 GLU HG3 H 1 2.854 0.038 . 1 . . . . 17 . . . 6147 1 190 . 1 1 24 24 ILE H H 1 8.588 0.034 . 1 . . . . 18 . . . 6147 1 191 . 1 1 24 24 ILE N N 15 111.283 0.153 . 1 . . . . 18 . . . 6147 1 192 . 1 1 24 24 ILE CA C 13 61.843 0.033 . 1 . . . . 18 . . . 6147 1 193 . 1 1 24 24 ILE HA H 1 4.820 0.037 . 1 . . . . 18 . . . 6147 1 194 . 1 1 24 24 ILE C C 13 177.784 0.078 . 1 . . . . 18 . . . 6147 1 195 . 1 1 24 24 ILE CB C 13 40.631 0.287 . 1 . . . . 18 . . . 6147 1 196 . 1 1 24 24 ILE HB H 1 2.393 0.019 . 1 . . . . 18 . . . 6147 1 197 . 1 1 24 24 ILE CG2 C 13 17.869 0.145 . 1 . . . . 18 . . . 6147 1 198 . 1 1 24 24 ILE HG21 H 1 1.128 0.021 . 1 . . . . 18 . . . 6147 1 199 . 1 1 24 24 ILE HG22 H 1 1.128 0.021 . 1 . . . . 18 . . . 6147 1 200 . 1 1 24 24 ILE HG23 H 1 1.128 0.021 . 1 . . . . 18 . . . 6147 1 201 . 1 1 24 24 ILE CD1 C 13 15.650 0.272 . 1 . . . . 18 . . . 6147 1 202 . 1 1 24 24 ILE HD11 H 1 1.424 0.066 . 1 . . . . 18 . . . 6147 1 203 . 1 1 24 24 ILE HD12 H 1 1.424 0.066 . 1 . . . . 18 . . . 6147 1 204 . 1 1 24 24 ILE HD13 H 1 1.424 0.066 . 1 . . . . 18 . . . 6147 1 205 . 1 1 25 25 GLY H H 1 8.214 0.030 . 1 . . . . 19 . . . 6147 1 206 . 1 1 25 25 GLY N N 15 115.326 0.142 . 1 . . . . 19 . . . 6147 1 207 . 1 1 25 25 GLY CA C 13 45.622 0.237 . 1 . . . . 19 . . . 6147 1 208 . 1 1 25 25 GLY HA2 H 1 4.132 0.027 . 1 . . . . 19 . . . 6147 1 209 . 1 1 25 25 GLY HA3 H 1 4.973 0.071 . 1 . . . . 19 . . . 6147 1 210 . 1 1 25 25 GLY C C 13 177.149 0.000 . 1 . . . . 19 . . . 6147 1 211 . 1 1 26 26 SER H H 1 9.085 0.022 . 1 . . . . 20 . . . 6147 1 212 . 1 1 26 26 SER N N 15 122.980 0.203 . 1 . . . . 20 . . . 6147 1 213 . 1 1 26 26 SER CA C 13 62.376 0.123 . 1 . . . . 20 . . . 6147 1 214 . 1 1 26 26 SER HA H 1 4.446 0.033 . 1 . . . . 20 . . . 6147 1 215 . 1 1 26 26 SER C C 13 177.827 0.007 . 1 . . . . 20 . . . 6147 1 216 . 1 1 26 26 SER CB C 13 63.448 0.091 . 1 . . . . 20 . . . 6147 1 217 . 1 1 26 26 SER HB2 H 1 4.201 0.010 . 1 . . . . 20 . . . 6147 1 218 . 1 1 26 26 SER HB3 H 1 4.268 0.049 . 1 . . . . 20 . . . 6147 1 219 . 1 1 27 27 ASP H H 1 9.242 0.072 . 1 . . . . 21 . . . 6147 1 220 . 1 1 27 27 ASP N N 15 119.718 0.118 . 1 . . . . 21 . . . 6147 1 221 . 1 1 27 27 ASP CA C 13 56.472 0.128 . 1 . . . . 21 . . . 6147 1 222 . 1 1 27 27 ASP HA H 1 4.785 0.043 . 1 . . . . 21 . . . 6147 1 223 . 1 1 27 27 ASP C C 13 178.255 0.055 . 1 . . . . 21 . . . 6147 1 224 . 1 1 27 27 ASP CB C 13 40.491 0.075 . 1 . . . . 21 . . . 6147 1 225 . 1 1 27 27 ASP HB2 H 1 2.973 0.042 . 1 . . . . 21 . . . 6147 1 226 . 1 1 27 27 ASP HB3 H 1 2.792 0.029 . 1 . . . . 21 . . . 6147 1 227 . 1 1 28 28 ASN H H 1 8.113 0.017 . 1 . . . . 22 . . . 6147 1 228 . 1 1 28 28 ASN N N 15 116.900 0.104 . 1 . . . . 22 . . . 6147 1 229 . 1 1 28 28 ASN CA C 13 54.422 0.086 . 1 . . . . 22 . . . 6147 1 230 . 1 1 28 28 ASN HA H 1 5.125 0.058 . 1 . . . . 22 . . . 6147 1 231 . 1 1 28 28 ASN C C 13 176.901 0.036 . 1 . . . . 22 . . . 6147 1 232 . 1 1 28 28 ASN CB C 13 40.281 0.415 . 1 . . . . 22 . . . 6147 1 233 . 1 1 28 28 ASN HB2 H 1 3.084 0.026 . 1 . . . . 22 . . . 6147 1 234 . 1 1 28 28 ASN HB3 H 1 2.969 0.045 . 1 . . . . 22 . . . 6147 1 235 . 1 1 29 29 VAL H H 1 7.695 0.031 . 1 . . . . 23 . . . 6147 1 236 . 1 1 29 29 VAL N N 15 122.377 0.313 . 1 . . . . 23 . . . 6147 1 237 . 1 1 29 29 VAL CA C 13 68.932 0.309 . 1 . . . . 23 . . . 6147 1 238 . 1 1 29 29 VAL HA H 1 4.037 0.042 . 1 . . . . 23 . . . 6147 1 239 . 1 1 29 29 VAL C C 13 174.854 0.290 . 1 . . . . 23 . . . 6147 1 240 . 1 1 29 29 VAL CB C 13 30.763 0.109 . 1 . . . . 23 . . . 6147 1 241 . 1 1 29 29 VAL HB H 1 2.682 0.027 . 1 . . . . 23 . . . 6147 1 242 . 1 1 29 29 VAL CG1 C 13 23.422 0.314 . 1 . . . . 23 . . . 6147 1 243 . 1 1 29 29 VAL HG11 H 1 1.371 0.024 . 1 . . . . 23 . . . 6147 1 244 . 1 1 29 29 VAL HG12 H 1 1.371 0.024 . 1 . . . . 23 . . . 6147 1 245 . 1 1 29 29 VAL HG13 H 1 1.371 0.024 . 1 . . . . 23 . . . 6147 1 246 . 1 1 29 29 VAL CG2 C 13 21.963 0.230 . 1 . . . . 23 . . . 6147 1 247 . 1 1 29 29 VAL HG21 H 1 1.208 0.032 . 1 . . . . 23 . . . 6147 1 248 . 1 1 29 29 VAL HG22 H 1 1.208 0.032 . 1 . . . . 23 . . . 6147 1 249 . 1 1 29 29 VAL HG23 H 1 1.208 0.032 . 1 . . . . 23 . . . 6147 1 250 . 1 1 30 30 PRO CA C 13 67.152 0.070 . 1 . . . . 24 . . . 6147 1 251 . 1 1 30 30 PRO HA H 1 4.476 0.027 . 1 . . . . 24 . . . 6147 1 252 . 1 1 30 30 PRO C C 13 179.335 0.000 . 1 . . . . 24 . . . 6147 1 253 . 1 1 30 30 PRO CB C 13 30.873 0.000 . 1 . . . . 24 . . . 6147 1 254 . 1 1 30 30 PRO HB2 H 1 4.020 0.013 . 1 . . . . 24 . . . 6147 1 255 . 1 1 31 31 VAL H H 1 7.122 0.121 . 1 . . . . 25 . . . 6147 1 256 . 1 1 31 31 VAL N N 15 116.734 0.763 . 1 . . . . 25 . . . 6147 1 257 . 1 1 31 31 VAL CA C 13 66.202 0.251 . 1 . . . . 25 . . . 6147 1 258 . 1 1 31 31 VAL HA H 1 4.123 0.025 . 1 . . . . 25 . . . 6147 1 259 . 1 1 31 31 VAL C C 13 179.334 0.103 . 1 . . . . 25 . . . 6147 1 260 . 1 1 31 31 VAL CB C 13 31.693 0.209 . 1 . . . . 25 . . . 6147 1 261 . 1 1 31 31 VAL HB H 1 2.270 0.079 . 1 . . . . 25 . . . 6147 1 262 . 1 1 31 31 VAL CG1 C 13 21.635 0.199 . 1 . . . . 25 . . . 6147 1 263 . 1 1 31 31 VAL HG11 H 1 1.267 0.043 . 1 . . . . 25 . . . 6147 1 264 . 1 1 31 31 VAL HG12 H 1 1.267 0.043 . 1 . . . . 25 . . . 6147 1 265 . 1 1 31 31 VAL HG13 H 1 1.267 0.043 . 1 . . . . 25 . . . 6147 1 266 . 1 1 31 31 VAL CG2 C 13 18.318 0.133 . 1 . . . . 25 . . . 6147 1 267 . 1 1 32 32 LEU H H 1 7.637 0.037 . 1 . . . . 26 . . . 6147 1 268 . 1 1 32 32 LEU N N 15 120.797 0.224 . 1 . . . . 26 . . . 6147 1 269 . 1 1 32 32 LEU CA C 13 57.944 0.076 . 1 . . . . 26 . . . 6147 1 270 . 1 1 32 32 LEU HA H 1 4.429 0.019 . 1 . . . . 26 . . . 6147 1 271 . 1 1 32 32 LEU C C 13 181.002 0.110 . 1 . . . . 26 . . . 6147 1 272 . 1 1 32 32 LEU CB C 13 42.019 0.115 . 1 . . . . 26 . . . 6147 1 273 . 1 1 32 32 LEU HB2 H 1 2.031 0.031 . 1 . . . . 26 . . . 6147 1 274 . 1 1 32 32 LEU HB3 H 1 1.278 0.077 . 1 . . . . 26 . . . 6147 1 275 . 1 1 32 32 LEU CG C 13 23.066 0.065 . 1 . . . . 26 . . . 6147 1 276 . 1 1 32 32 LEU CD1 C 13 23.726 0.409 . 1 . . . . 26 . . . 6147 1 277 . 1 1 32 32 LEU HD11 H 1 1.143 0.043 . 1 . . . . 26 . . . 6147 1 278 . 1 1 32 32 LEU HD12 H 1 1.143 0.043 . 1 . . . . 26 . . . 6147 1 279 . 1 1 32 32 LEU HD13 H 1 1.143 0.043 . 1 . . . . 26 . . . 6147 1 280 . 1 1 32 32 LEU CD2 C 13 25.451 0.088 . 1 . . . . 26 . . . 6147 1 281 . 1 1 32 32 LEU HD21 H 1 1.504 0.016 . 1 . . . . 26 . . . 6147 1 282 . 1 1 32 32 LEU HD22 H 1 1.504 0.016 . 1 . . . . 26 . . . 6147 1 283 . 1 1 32 32 LEU HD23 H 1 1.504 0.016 . 1 . . . . 26 . . . 6147 1 284 . 1 1 32 32 LEU HG H 1 3.322 0.082 . 1 . . . . 26 . . . 6147 1 285 . 1 1 33 33 LEU H H 1 8.839 0.043 . 1 . . . . 27 . . . 6147 1 286 . 1 1 33 33 LEU N N 15 119.936 0.157 . 1 . . . . 27 . . . 6147 1 287 . 1 1 33 33 LEU CA C 13 58.465 0.175 . 1 . . . . 27 . . . 6147 1 288 . 1 1 33 33 LEU HA H 1 4.006 0.020 . 1 . . . . 27 . . . 6147 1 289 . 1 1 33 33 LEU C C 13 179.657 0.000 . 1 . . . . 27 . . . 6147 1 290 . 1 1 33 33 LEU CB C 13 41.973 0.104 . 1 . . . . 27 . . . 6147 1 291 . 1 1 33 33 LEU HB2 H 1 1.732 0.048 . 1 . . . . 27 . . . 6147 1 292 . 1 1 33 33 LEU HB3 H 1 2.061 0.037 . 1 . . . . 27 . . . 6147 1 293 . 1 1 33 33 LEU CG C 13 23.556 0.136 . 1 . . . . 27 . . . 6147 1 294 . 1 1 33 33 LEU HG H 1 0.963 0.028 . 1 . . . . 27 . . . 6147 1 295 . 1 1 34 34 ASP H H 1 8.309 0.073 . 1 . . . . 28 . . . 6147 1 296 . 1 1 34 34 ASP N N 15 120.351 0.042 . 1 . . . . 28 . . . 6147 1 297 . 1 1 34 34 ASP CA C 13 58.315 0.335 . 1 . . . . 28 . . . 6147 1 298 . 1 1 34 34 ASP HA H 1 4.732 0.052 . 1 . . . . 28 . . . 6147 1 299 . 1 1 34 34 ASP C C 13 180.921 0.000 . 1 . . . . 28 . . . 6147 1 300 . 1 1 34 34 ASP CB C 13 40.919 0.144 . 1 . . . . 28 . . . 6147 1 301 . 1 1 34 34 ASP HB2 H 1 3.111 0.031 . 1 . . . . 28 . . . 6147 1 302 . 1 1 34 34 ASP HB3 H 1 2.879 0.040 . 1 . . . . 28 . . . 6147 1 303 . 1 1 35 35 ILE H H 1 7.744 0.026 . 1 . . . . 29 . . . 6147 1 304 . 1 1 35 35 ILE N N 15 122.931 0.162 . 1 . . . . 29 . . . 6147 1 305 . 1 1 35 35 ILE CA C 13 65.232 0.103 . 1 . . . . 29 . . . 6147 1 306 . 1 1 35 35 ILE HA H 1 3.963 0.030 . 1 . . . . 29 . . . 6147 1 307 . 1 1 35 35 ILE C C 13 179.709 0.052 . 1 . . . . 29 . . . 6147 1 308 . 1 1 35 35 ILE CB C 13 37.351 0.161 . 1 . . . . 29 . . . 6147 1 309 . 1 1 35 35 ILE HB H 1 2.037 0.047 . 1 . . . . 29 . . . 6147 1 310 . 1 1 35 35 ILE CG2 C 13 17.303 0.186 . 1 . . . . 29 . . . 6147 1 311 . 1 1 35 35 ILE CG1 C 13 29.500 0.419 . 1 . . . . 29 . . . 6147 1 312 . 1 1 35 35 ILE HG12 H 1 1.179 0.021 . 1 . . . . 29 . . . 6147 1 313 . 1 1 35 35 ILE HG13 H 1 1.585 0.021 . 1 . . . . 29 . . . 6147 1 314 . 1 1 35 35 ILE CD1 C 13 12.866 0.227 . 1 . . . . 29 . . . 6147 1 315 . 1 1 35 35 ILE HD11 H 1 0.593 0.022 . 1 . . . . 29 . . . 6147 1 316 . 1 1 35 35 ILE HD12 H 1 0.593 0.022 . 1 . . . . 29 . . . 6147 1 317 . 1 1 35 35 ILE HD13 H 1 0.593 0.022 . 1 . . . . 29 . . . 6147 1 318 . 1 1 36 36 PHE H H 1 7.754 0.041 . 1 . . . . 30 . . . 6147 1 319 . 1 1 36 36 PHE N N 15 124.037 0.245 . 1 . . . . 30 . . . 6147 1 320 . 1 1 36 36 PHE CA C 13 59.084 0.042 . 1 . . . . 30 . . . 6147 1 321 . 1 1 36 36 PHE HA H 1 4.788 0.050 . 1 . . . . 30 . . . 6147 1 322 . 1 1 36 36 PHE C C 13 178.564 0.004 . 1 . . . . 30 . . . 6147 1 323 . 1 1 36 36 PHE CB C 13 40.318 0.400 . 1 . . . . 30 . . . 6147 1 324 . 1 1 36 36 PHE HB2 H 1 2.718 0.048 . 1 . . . . 30 . . . 6147 1 325 . 1 1 36 36 PHE HB3 H 1 2.380 0.032 . 1 . . . . 30 . . . 6147 1 326 . 1 1 36 36 PHE HD1 H 1 7.250 0.002 . 1 . . . . 30 . . . 6147 1 327 . 1 1 37 37 LEU H H 1 9.006 0.038 . 1 . . . . 31 . . . 6147 1 328 . 1 1 37 37 LEU N N 15 120.953 0.179 . 1 . . . . 31 . . . 6147 1 329 . 1 1 37 37 LEU CA C 13 58.832 0.141 . 1 . . . . 31 . . . 6147 1 330 . 1 1 37 37 LEU HA H 1 3.701 0.074 . 1 . . . . 31 . . . 6147 1 331 . 1 1 37 37 LEU C C 13 179.645 0.021 . 1 . . . . 31 . . . 6147 1 332 . 1 1 37 37 LEU CB C 13 41.940 0.161 . 1 . . . . 31 . . . 6147 1 333 . 1 1 37 37 LEU HB2 H 1 2.110 0.027 . 1 . . . . 31 . . . 6147 1 334 . 1 1 37 37 LEU HB3 H 1 1.693 0.051 . 1 . . . . 31 . . . 6147 1 335 . 1 1 37 37 LEU CG C 13 26.035 0.230 . 1 . . . . 31 . . . 6147 1 336 . 1 1 37 37 LEU HD11 H 1 1.134 0.026 . 1 . . . . 31 . . . 6147 1 337 . 1 1 37 37 LEU HD12 H 1 1.134 0.026 . 1 . . . . 31 . . . 6147 1 338 . 1 1 37 37 LEU HD13 H 1 1.134 0.026 . 1 . . . . 31 . . . 6147 1 339 . 1 1 37 37 LEU CD2 C 13 26.111 0.000 . 1 . . . . 31 . . . 6147 1 340 . 1 1 37 37 LEU HG H 1 1.074 0.031 . 1 . . . . 31 . . . 6147 1 341 . 1 1 38 38 GLY H H 1 8.128 0.028 . 1 . . . . 32 . . . 6147 1 342 . 1 1 38 38 GLY N N 15 107.076 0.121 . 1 . . . . 32 . . . 6147 1 343 . 1 1 38 38 GLY CA C 13 47.435 0.107 . 1 . . . . 32 . . . 6147 1 344 . 1 1 38 38 GLY HA3 H 1 4.014 0.023 . 1 . . . . 32 . . . 6147 1 345 . 1 1 38 38 GLY C C 13 178.324 0.000 . 1 . . . . 32 . . . 6147 1 346 . 1 1 39 39 GLU H H 1 8.225 0.019 . 1 . . . . 33 . . . 6147 1 347 . 1 1 39 39 GLU N N 15 125.602 0.068 . 1 . . . . 33 . . . 6147 1 348 . 1 1 39 39 GLU CA C 13 59.570 0.059 . 1 . . . . 33 . . . 6147 1 349 . 1 1 39 39 GLU HA H 1 3.899 0.056 . 1 . . . . 33 . . . 6147 1 350 . 1 1 39 39 GLU C C 13 178.711 0.071 . 1 . . . . 33 . . . 6147 1 351 . 1 1 39 39 GLU CB C 13 28.972 0.079 . 1 . . . . 33 . . . 6147 1 352 . 1 1 39 39 GLU HB2 H 1 1.763 0.030 . 1 . . . . 33 . . . 6147 1 353 . 1 1 39 39 GLU HB3 H 1 2.420 0.029 . 1 . . . . 33 . . . 6147 1 354 . 1 1 39 39 GLU CG C 13 36.831 0.124 . 1 . . . . 33 . . . 6147 1 355 . 1 1 39 39 GLU HG2 H 1 2.188 0.032 . 1 . . . . 33 . . . 6147 1 356 . 1 1 39 39 GLU HG3 H 1 2.513 0.034 . 1 . . . . 33 . . . 6147 1 357 . 1 1 40 40 MET H H 1 8.188 0.016 . 1 . . . . 34 . . . 6147 1 358 . 1 1 40 40 MET N N 15 117.582 0.171 . 1 . . . . 34 . . . 6147 1 359 . 1 1 40 40 MET CA C 13 61.093 0.156 . 1 . . . . 34 . . . 6147 1 360 . 1 1 40 40 MET HA H 1 3.814 0.035 . 1 . . . . 34 . . . 6147 1 361 . 1 1 40 40 MET C C 13 179.020 0.086 . 1 . . . . 34 . . . 6147 1 362 . 1 1 40 40 MET CB C 13 33.674 0.235 . 1 . . . . 34 . . . 6147 1 363 . 1 1 40 40 MET HB3 H 1 1.771 0.046 . 1 . . . . 34 . . . 6147 1 364 . 1 1 40 40 MET HG2 H 1 2.230 0.330 . 1 . . . . 34 . . . 6147 1 365 . 1 1 41 41 ASP H H 1 8.681 0.028 . 1 . . . . 35 . . . 6147 1 366 . 1 1 41 41 ASP N N 15 119.300 0.107 . 1 . . . . 35 . . . 6147 1 367 . 1 1 41 41 ASP CA C 13 58.280 0.032 . 1 . . . . 35 . . . 6147 1 368 . 1 1 41 41 ASP HA H 1 4.463 0.052 . 1 . . . . 35 . . . 6147 1 369 . 1 1 41 41 ASP C C 13 180.937 0.058 . 1 . . . . 35 . . . 6147 1 370 . 1 1 41 41 ASP CB C 13 40.537 0.117 . 1 . . . . 35 . . . 6147 1 371 . 1 1 41 41 ASP HB2 H 1 3.047 0.015 . 1 . . . . 35 . . . 6147 1 372 . 1 1 41 41 ASP HB3 H 1 2.779 0.044 . 1 . . . . 35 . . . 6147 1 373 . 1 1 42 42 SER H H 1 8.016 0.020 . 1 . . . . 36 . . . 6147 1 374 . 1 1 42 42 SER N N 15 119.158 0.137 . 1 . . . . 36 . . . 6147 1 375 . 1 1 42 42 SER CA C 13 62.026 0.121 . 1 . . . . 36 . . . 6147 1 376 . 1 1 42 42 SER HA H 1 4.536 0.061 . 1 . . . . 36 . . . 6147 1 377 . 1 1 42 42 SER C C 13 177.772 0.056 . 1 . . . . 36 . . . 6147 1 378 . 1 1 42 42 SER CB C 13 62.478 0.165 . 1 . . . . 36 . . . 6147 1 379 . 1 1 42 42 SER HB2 H 1 4.246 0.068 . 1 . . . . 36 . . . 6147 1 380 . 1 1 42 42 SER HB3 H 1 4.349 0.025 . 1 . . . . 36 . . . 6147 1 381 . 1 1 43 43 TYR H H 1 8.844 0.031 . 1 . . . . 37 . . . 6147 1 382 . 1 1 43 43 TYR N N 15 124.421 0.304 . 1 . . . . 37 . . . 6147 1 383 . 1 1 43 43 TYR CA C 13 57.718 0.155 . 1 . . . . 37 . . . 6147 1 384 . 1 1 43 43 TYR HA H 1 5.681 0.049 . 1 . . . . 37 . . . 6147 1 385 . 1 1 43 43 TYR C C 13 180.118 0.035 . 1 . . . . 37 . . . 6147 1 386 . 1 1 43 43 TYR CB C 13 38.297 0.289 . 1 . . . . 37 . . . 6147 1 387 . 1 1 43 43 TYR HB2 H 1 3.342 0.034 . 1 . . . . 37 . . . 6147 1 388 . 1 1 43 43 TYR HB3 H 1 3.475 0.071 . 1 . . . . 37 . . . 6147 1 389 . 1 1 43 43 TYR HD1 H 1 7.123 0.023 . 1 . . . . 37 . . . 6147 1 390 . 1 1 44 44 ILE H H 1 8.850 0.017 . 1 . . . . 38 . . . 6147 1 391 . 1 1 44 44 ILE N N 15 119.182 0.168 . 1 . . . . 38 . . . 6147 1 392 . 1 1 44 44 ILE CA C 13 66.676 0.302 . 1 . . . . 38 . . . 6147 1 393 . 1 1 44 44 ILE HA H 1 4.220 0.038 . 1 . . . . 38 . . . 6147 1 394 . 1 1 44 44 ILE C C 13 180.154 0.135 . 1 . . . . 38 . . . 6147 1 395 . 1 1 44 44 ILE CB C 13 41.301 0.616 . 1 . . . . 38 . . . 6147 1 396 . 1 1 44 44 ILE HB H 1 2.404 0.028 . 1 . . . . 38 . . . 6147 1 397 . 1 1 44 44 ILE CG2 C 13 17.399 0.047 . 1 . . . . 38 . . . 6147 1 398 . 1 1 44 44 ILE HG21 H 1 1.766 0.022 . 1 . . . . 38 . . . 6147 1 399 . 1 1 44 44 ILE HG22 H 1 1.766 0.022 . 1 . . . . 38 . . . 6147 1 400 . 1 1 44 44 ILE HG23 H 1 1.766 0.022 . 1 . . . . 38 . . . 6147 1 401 . 1 1 44 44 ILE CG1 C 13 37.375 0.147 . 1 . . . . 38 . . . 6147 1 402 . 1 1 44 44 ILE HG12 H 1 2.691 0.043 . 1 . . . . 38 . . . 6147 1 403 . 1 1 44 44 ILE HG13 H 1 1.030 0.036 . 1 . . . . 38 . . . 6147 1 404 . 1 1 44 44 ILE CD1 C 13 18.892 0.047 . 1 . . . . 38 . . . 6147 1 405 . 1 1 44 44 ILE HD11 H 1 1.457 0.037 . 1 . . . . 38 . . . 6147 1 406 . 1 1 44 44 ILE HD12 H 1 1.457 0.037 . 1 . . . . 38 . . . 6147 1 407 . 1 1 44 44 ILE HD13 H 1 1.457 0.037 . 1 . . . . 38 . . . 6147 1 408 . 1 1 45 45 GLY H H 1 8.456 0.038 . 1 . . . . 39 . . . 6147 1 409 . 1 1 45 45 GLY N N 15 108.362 0.140 . 1 . . . . 39 . . . 6147 1 410 . 1 1 45 45 GLY CA C 13 47.633 0.139 . 1 . . . . 39 . . . 6147 1 411 . 1 1 45 45 GLY HA2 H 1 4.250 0.038 . 1 . . . . 39 . . . 6147 1 412 . 1 1 45 45 GLY HA3 H 1 4.027 0.041 . 1 . . . . 39 . . . 6147 1 413 . 1 1 45 45 GLY C C 13 177.226 0.000 . 1 . . . . 39 . . . 6147 1 414 . 1 1 46 46 THR H H 1 8.584 0.044 . 1 . . . . 40 . . . 6147 1 415 . 1 1 46 46 THR N N 15 119.533 0.236 . 1 . . . . 40 . . . 6147 1 416 . 1 1 46 46 THR CA C 13 67.473 0.410 . 1 . . . . 40 . . . 6147 1 417 . 1 1 46 46 THR HA H 1 4.308 0.054 . 1 . . . . 40 . . . 6147 1 418 . 1 1 46 46 THR C C 13 177.018 0.042 . 1 . . . . 40 . . . 6147 1 419 . 1 1 46 46 THR CB C 13 70.687 0.367 . 1 . . . . 40 . . . 6147 1 420 . 1 1 46 46 THR HB H 1 4.208 0.032 . 1 . . . . 40 . . . 6147 1 421 . 1 1 46 46 THR CG2 C 13 21.267 0.401 . 1 . . . . 40 . . . 6147 1 422 . 1 1 46 46 THR HG21 H 1 0.615 0.027 . 1 . . . . 40 . . . 6147 1 423 . 1 1 46 46 THR HG22 H 1 0.615 0.027 . 1 . . . . 40 . . . 6147 1 424 . 1 1 46 46 THR HG23 H 1 0.615 0.027 . 1 . . . . 40 . . . 6147 1 425 . 1 1 47 47 LEU H H 1 8.944 0.055 . 1 . . . . 41 . . . 6147 1 426 . 1 1 47 47 LEU N N 15 121.763 0.150 . 1 . . . . 41 . . . 6147 1 427 . 1 1 47 47 LEU CA C 13 58.774 0.069 . 1 . . . . 41 . . . 6147 1 428 . 1 1 47 47 LEU HA H 1 4.238 0.026 . 1 . . . . 41 . . . 6147 1 429 . 1 1 47 47 LEU C C 13 178.619 0.080 . 1 . . . . 41 . . . 6147 1 430 . 1 1 47 47 LEU CB C 13 42.960 0.126 . 1 . . . . 41 . . . 6147 1 431 . 1 1 47 47 LEU HB2 H 1 2.176 0.015 . 1 . . . . 41 . . . 6147 1 432 . 1 1 47 47 LEU HB3 H 1 2.005 0.043 . 1 . . . . 41 . . . 6147 1 433 . 1 1 47 47 LEU CG C 13 25.635 0.087 . 1 . . . . 41 . . . 6147 1 434 . 1 1 47 47 LEU CD1 C 13 21.314 0.168 . 1 . . . . 41 . . . 6147 1 435 . 1 1 47 47 LEU HD11 H 1 0.546 0.040 . 1 . . . . 41 . . . 6147 1 436 . 1 1 47 47 LEU HD12 H 1 0.546 0.040 . 1 . . . . 41 . . . 6147 1 437 . 1 1 47 47 LEU HD13 H 1 0.546 0.040 . 1 . . . . 41 . . . 6147 1 438 . 1 1 47 47 LEU CD2 C 13 18.697 0.277 . 1 . . . . 41 . . . 6147 1 439 . 1 1 47 47 LEU HD21 H 1 1.488 0.018 . 1 . . . . 41 . . . 6147 1 440 . 1 1 47 47 LEU HD22 H 1 1.488 0.018 . 1 . . . . 41 . . . 6147 1 441 . 1 1 47 47 LEU HD23 H 1 1.488 0.018 . 1 . . . . 41 . . . 6147 1 442 . 1 1 47 47 LEU HG H 1 1.198 0.032 . 1 . . . . 41 . . . 6147 1 443 . 1 1 48 48 THR H H 1 7.808 0.038 . 1 . . . . 42 . . . 6147 1 444 . 1 1 48 48 THR N N 15 109.695 0.161 . 1 . . . . 42 . . . 6147 1 445 . 1 1 48 48 THR CA C 13 66.645 0.414 . 1 . . . . 42 . . . 6147 1 446 . 1 1 48 48 THR HA H 1 4.199 0.034 . 1 . . . . 42 . . . 6147 1 447 . 1 1 48 48 THR C C 13 176.073 0.153 . 1 . . . . 42 . . . 6147 1 448 . 1 1 48 48 THR CB C 13 69.636 0.146 . 1 . . . . 42 . . . 6147 1 449 . 1 1 48 48 THR HB H 1 4.400 0.066 . 1 . . . . 42 . . . 6147 1 450 . 1 1 48 48 THR CG2 C 13 22.293 0.181 . 1 . . . . 42 . . . 6147 1 451 . 1 1 48 48 THR HG21 H 1 1.527 0.038 . 1 . . . . 42 . . . 6147 1 452 . 1 1 48 48 THR HG22 H 1 1.527 0.038 . 1 . . . . 42 . . . 6147 1 453 . 1 1 48 48 THR HG23 H 1 1.527 0.038 . 1 . . . . 42 . . . 6147 1 454 . 1 1 49 49 GLU H H 1 7.516 0.026 . 1 . . . . 43 . . . 6147 1 455 . 1 1 49 49 GLU N N 15 120.616 0.133 . 1 . . . . 43 . . . 6147 1 456 . 1 1 49 49 GLU CA C 13 57.880 0.098 . 1 . . . . 43 . . . 6147 1 457 . 1 1 49 49 GLU HA H 1 4.490 0.032 . 1 . . . . 43 . . . 6147 1 458 . 1 1 49 49 GLU C C 13 178.244 0.085 . 1 . . . . 43 . . . 6147 1 459 . 1 1 49 49 GLU CB C 13 31.303 0.032 . 1 . . . . 43 . . . 6147 1 460 . 1 1 49 49 GLU HB3 H 1 2.389 0.057 . 1 . . . . 43 . . . 6147 1 461 . 1 1 49 49 GLU CG C 13 36.300 0.041 . 1 . . . . 43 . . . 6147 1 462 . 1 1 49 49 GLU HG2 H 1 2.554 0.036 . 1 . . . . 43 . . . 6147 1 463 . 1 1 50 50 LEU H H 1 7.649 0.023 . 1 . . . . 44 . . . 6147 1 464 . 1 1 50 50 LEU N N 15 120.438 0.232 . 1 . . . . 44 . . . 6147 1 465 . 1 1 50 50 LEU CA C 13 55.293 0.112 . 1 . . . . 44 . . . 6147 1 466 . 1 1 50 50 LEU HA H 1 4.651 0.047 . 1 . . . . 44 . . . 6147 1 467 . 1 1 50 50 LEU C C 13 176.154 0.098 . 1 . . . . 44 . . . 6147 1 468 . 1 1 50 50 LEU CB C 13 44.740 0.145 . 1 . . . . 44 . . . 6147 1 469 . 1 1 50 50 LEU HB2 H 1 2.141 0.024 . 1 . . . . 44 . . . 6147 1 470 . 1 1 50 50 LEU HB3 H 1 2.033 0.035 . 1 . . . . 44 . . . 6147 1 471 . 1 1 50 50 LEU CG C 13 28.076 0.098 . 1 . . . . 44 . . . 6147 1 472 . 1 1 50 50 LEU CD1 C 13 22.448 0.189 . 1 . . . . 44 . . . 6147 1 473 . 1 1 50 50 LEU HD11 H 1 0.978 0.055 . 1 . . . . 44 . . . 6147 1 474 . 1 1 50 50 LEU HD12 H 1 0.978 0.055 . 1 . . . . 44 . . . 6147 1 475 . 1 1 50 50 LEU HD13 H 1 0.978 0.055 . 1 . . . . 44 . . . 6147 1 476 . 1 1 50 50 LEU CD2 C 13 27.886 0.373 . 1 . . . . 44 . . . 6147 1 477 . 1 1 50 50 LEU HD21 H 1 0.713 0.014 . 1 . . . . 44 . . . 6147 1 478 . 1 1 50 50 LEU HD22 H 1 0.713 0.014 . 1 . . . . 44 . . . 6147 1 479 . 1 1 50 50 LEU HD23 H 1 0.713 0.014 . 1 . . . . 44 . . . 6147 1 480 . 1 1 50 50 LEU HG H 1 1.255 0.047 . 1 . . . . 44 . . . 6147 1 481 . 1 1 51 51 GLN H H 1 8.755 0.021 . 1 . . . . 45 . . . 6147 1 482 . 1 1 51 51 GLN N N 15 116.581 0.122 . 1 . . . . 45 . . . 6147 1 483 . 1 1 51 51 GLN CA C 13 54.223 0.073 . 1 . . . . 45 . . . 6147 1 484 . 1 1 51 51 GLN HA H 1 4.969 0.041 . 1 . . . . 45 . . . 6147 1 485 . 1 1 51 51 GLN C C 13 178.073 0.009 . 1 . . . . 45 . . . 6147 1 486 . 1 1 51 51 GLN CB C 13 33.441 0.159 . 1 . . . . 45 . . . 6147 1 487 . 1 1 51 51 GLN HB2 H 1 2.170 0.015 . 1 . . . . 45 . . . 6147 1 488 . 1 1 51 51 GLN HB3 H 1 2.491 0.050 . 1 . . . . 45 . . . 6147 1 489 . 1 1 51 51 GLN CG C 13 29.558 0.106 . 1 . . . . 45 . . . 6147 1 490 . 1 1 51 51 GLN HG2 H 1 1.160 0.012 . 1 . . . . 45 . . . 6147 1 491 . 1 1 51 51 GLN HG3 H 1 1.358 0.037 . 1 . . . . 45 . . . 6147 1 492 . 1 1 52 52 GLY H H 1 9.107 0.017 . 1 . . . . 46 . . . 6147 1 493 . 1 1 52 52 GLY N N 15 109.874 0.163 . 1 . . . . 46 . . . 6147 1 494 . 1 1 52 52 GLY CA C 13 47.570 1.324 . 1 . . . . 46 . . . 6147 1 495 . 1 1 52 52 GLY HA2 H 1 4.162 0.029 . 1 . . . . 46 . . . 6147 1 496 . 1 1 52 52 GLY HA3 H 1 4.277 0.011 . 1 . . . . 46 . . . 6147 1 497 . 1 1 52 52 GLY C C 13 177.195 0.000 . 1 . . . . 46 . . . 6147 1 498 . 1 1 53 53 SER H H 1 9.312 0.009 . 1 . . . . 47 . . . 6147 1 499 . 1 1 53 53 SER N N 15 123.557 0.291 . 1 . . . . 47 . . . 6147 1 500 . 1 1 53 53 SER CA C 13 61.991 0.143 . 1 . . . . 47 . . . 6147 1 501 . 1 1 53 53 SER HA H 1 4.775 0.026 . 1 . . . . 47 . . . 6147 1 502 . 1 1 53 53 SER C C 13 178.032 0.038 . 1 . . . . 47 . . . 6147 1 503 . 1 1 53 53 SER HB2 H 1 4.395 0.013 . 1 . . . . 47 . . . 6147 1 504 . 1 1 53 53 SER HB3 H 1 4.318 0.048 . 1 . . . . 47 . . . 6147 1 505 . 1 1 54 54 GLU H H 1 8.868 0.032 . 1 . . . . 48 . . . 6147 1 506 . 1 1 54 54 GLU N N 15 122.896 0.132 . 1 . . . . 48 . . . 6147 1 507 . 1 1 54 54 GLU CA C 13 60.176 0.188 . 1 . . . . 48 . . . 6147 1 508 . 1 1 54 54 GLU HA H 1 4.289 0.037 . 1 . . . . 48 . . . 6147 1 509 . 1 1 54 54 GLU C C 13 180.136 0.114 . 1 . . . . 48 . . . 6147 1 510 . 1 1 54 54 GLU CB C 13 29.675 0.183 . 1 . . . . 48 . . . 6147 1 511 . 1 1 54 54 GLU HB3 H 1 2.368 0.045 . 1 . . . . 48 . . . 6147 1 512 . 1 1 54 54 GLU CG C 13 37.286 0.117 . 1 . . . . 48 . . . 6147 1 513 . 1 1 54 54 GLU HG2 H 1 2.669 0.045 . 1 . . . . 48 . . . 6147 1 514 . 1 1 54 54 GLU HG3 H 1 2.517 0.020 . 1 . . . . 48 . . . 6147 1 515 . 1 1 55 55 GLN H H 1 7.498 0.051 . 1 . . . . 49 . . . 6147 1 516 . 1 1 55 55 GLN N N 15 121.497 0.246 . 1 . . . . 49 . . . 6147 1 517 . 1 1 55 55 GLN CA C 13 59.152 0.291 . 1 . . . . 49 . . . 6147 1 518 . 1 1 55 55 GLN HA H 1 3.958 0.038 . 1 . . . . 49 . . . 6147 1 519 . 1 1 55 55 GLN C C 13 177.783 0.124 . 1 . . . . 49 . . . 6147 1 520 . 1 1 55 55 GLN CB C 13 28.965 0.138 . 1 . . . . 49 . . . 6147 1 521 . 1 1 55 55 GLN HB2 H 1 2.475 0.067 . 1 . . . . 49 . . . 6147 1 522 . 1 1 55 55 GLN CG C 13 34.646 0.024 . 1 . . . . 49 . . . 6147 1 523 . 1 1 55 55 GLN HG2 H 1 1.462 0.035 . 1 . . . . 49 . . . 6147 1 524 . 1 1 56 56 LEU H H 1 7.727 0.038 . 1 . . . . 50 . . . 6147 1 525 . 1 1 56 56 LEU N N 15 120.709 0.155 . 1 . . . . 50 . . . 6147 1 526 . 1 1 56 56 LEU CA C 13 58.413 0.244 . 1 . . . . 50 . . . 6147 1 527 . 1 1 56 56 LEU HA H 1 4.366 0.049 . 1 . . . . 50 . . . 6147 1 528 . 1 1 56 56 LEU C C 13 179.774 0.094 . 1 . . . . 50 . . . 6147 1 529 . 1 1 56 56 LEU CB C 13 42.479 0.183 . 1 . . . . 50 . . . 6147 1 530 . 1 1 56 56 LEU HB2 H 1 1.977 0.039 . 1 . . . . 50 . . . 6147 1 531 . 1 1 56 56 LEU HB3 H 1 1.866 0.023 . 1 . . . . 50 . . . 6147 1 532 . 1 1 56 56 LEU CG C 13 30.819 0.054 . 1 . . . . 50 . . . 6147 1 533 . 1 1 56 56 LEU CD1 C 13 24.949 0.216 . 1 . . . . 50 . . . 6147 1 534 . 1 1 56 56 LEU HD11 H 1 1.123 0.037 . 1 . . . . 50 . . . 6147 1 535 . 1 1 56 56 LEU HD12 H 1 1.123 0.037 . 1 . . . . 50 . . . 6147 1 536 . 1 1 56 56 LEU HD13 H 1 1.123 0.037 . 1 . . . . 50 . . . 6147 1 537 . 1 1 56 56 LEU CD2 C 13 25.542 0.375 . 1 . . . . 50 . . . 6147 1 538 . 1 1 57 57 LEU H H 1 8.294 0.024 . 1 . . . . 51 . . . 6147 1 539 . 1 1 57 57 LEU N N 15 120.250 0.221 . 1 . . . . 51 . . . 6147 1 540 . 1 1 57 57 LEU CA C 13 58.732 0.130 . 1 . . . . 51 . . . 6147 1 541 . 1 1 57 57 LEU HA H 1 4.341 0.059 . 1 . . . . 51 . . . 6147 1 542 . 1 1 57 57 LEU C C 13 180.511 0.031 . 1 . . . . 51 . . . 6147 1 543 . 1 1 57 57 LEU CB C 13 42.632 0.334 . 1 . . . . 51 . . . 6147 1 544 . 1 1 57 57 LEU HB2 H 1 1.999 0.041 . 1 . . . . 51 . . . 6147 1 545 . 1 1 57 57 LEU HB3 H 1 3.072 0.053 . 1 . . . . 51 . . . 6147 1 546 . 1 1 57 57 LEU CG C 13 28.012 0.130 . 1 . . . . 51 . . . 6147 1 547 . 1 1 57 57 LEU CD1 C 13 25.183 0.253 . 1 . . . . 51 . . . 6147 1 548 . 1 1 57 57 LEU HD11 H 1 1.153 0.025 . 1 . . . . 51 . . . 6147 1 549 . 1 1 57 57 LEU HD12 H 1 1.153 0.025 . 1 . . . . 51 . . . 6147 1 550 . 1 1 57 57 LEU HD13 H 1 1.153 0.025 . 1 . . . . 51 . . . 6147 1 551 . 1 1 57 57 LEU HG H 1 2.594 0.026 . 1 . . . . 51 . . . 6147 1 552 . 1 1 58 58 TYR H H 1 8.102 0.038 . 1 . . . . 52 . . . 6147 1 553 . 1 1 58 58 TYR N N 15 122.024 0.169 . 1 . . . . 52 . . . 6147 1 554 . 1 1 58 58 TYR CA C 13 62.237 0.171 . 1 . . . . 52 . . . 6147 1 555 . 1 1 58 58 TYR HA H 1 4.510 0.038 . 1 . . . . 52 . . . 6147 1 556 . 1 1 58 58 TYR C C 13 178.017 0.073 . 1 . . . . 52 . . . 6147 1 557 . 1 1 58 58 TYR CB C 13 39.932 0.361 . 1 . . . . 52 . . . 6147 1 558 . 1 1 58 58 TYR HB2 H 1 3.431 0.036 . 1 . . . . 52 . . . 6147 1 559 . 1 1 58 58 TYR HB3 H 1 3.300 0.033 . 1 . . . . 52 . . . 6147 1 560 . 1 1 58 58 TYR HD1 H 1 7.206 0.009 . 1 . . . . 52 . . . 6147 1 561 . 1 1 59 59 LEU H H 1 8.763 0.036 . 1 . . . . 53 . . . 6147 1 562 . 1 1 59 59 LEU N N 15 120.649 0.165 . 1 . . . . 53 . . . 6147 1 563 . 1 1 59 59 LEU CA C 13 58.603 0.124 . 1 . . . . 53 . . . 6147 1 564 . 1 1 59 59 LEU HA H 1 4.000 0.031 . 1 . . . . 53 . . . 6147 1 565 . 1 1 59 59 LEU C C 13 180.921 0.012 . 1 . . . . 53 . . . 6147 1 566 . 1 1 59 59 LEU CB C 13 42.434 0.071 . 1 . . . . 53 . . . 6147 1 567 . 1 1 59 59 LEU HB2 H 1 1.390 0.012 . 1 . . . . 53 . . . 6147 1 568 . 1 1 59 59 LEU CD1 C 13 18.673 0.111 . 1 . . . . 53 . . . 6147 1 569 . 1 1 59 59 LEU HD11 H 1 1.850 0.033 . 1 . . . . 53 . . . 6147 1 570 . 1 1 59 59 LEU HD12 H 1 1.850 0.033 . 1 . . . . 53 . . . 6147 1 571 . 1 1 59 59 LEU HD13 H 1 1.850 0.033 . 1 . . . . 53 . . . 6147 1 572 . 1 1 59 59 LEU CD2 C 13 25.148 0.209 . 1 . . . . 53 . . . 6147 1 573 . 1 1 59 59 LEU HD21 H 1 1.123 0.023 . 1 . . . . 53 . . . 6147 1 574 . 1 1 59 59 LEU HD22 H 1 1.123 0.023 . 1 . . . . 53 . . . 6147 1 575 . 1 1 59 59 LEU HD23 H 1 1.123 0.023 . 1 . . . . 53 . . . 6147 1 576 . 1 1 60 60 LYS H H 1 8.310 0.027 . 1 . . . . 54 . . . 6147 1 577 . 1 1 60 60 LYS N N 15 120.514 0.184 . 1 . . . . 54 . . . 6147 1 578 . 1 1 60 60 LYS CA C 13 61.246 0.204 . 1 . . . . 54 . . . 6147 1 579 . 1 1 60 60 LYS HA H 1 3.835 0.052 . 1 . . . . 54 . . . 6147 1 580 . 1 1 60 60 LYS C C 13 179.611 0.053 . 1 . . . . 54 . . . 6147 1 581 . 1 1 60 60 LYS CB C 13 32.911 0.267 . 1 . . . . 54 . . . 6147 1 582 . 1 1 60 60 LYS HB2 H 1 1.926 0.066 . 1 . . . . 54 . . . 6147 1 583 . 1 1 60 60 LYS HB3 H 1 2.160 0.031 . 1 . . . . 54 . . . 6147 1 584 . 1 1 60 60 LYS CG C 13 25.431 0.432 . 1 . . . . 54 . . . 6147 1 585 . 1 1 60 60 LYS HG2 H 1 1.005 0.046 . 1 . . . . 54 . . . 6147 1 586 . 1 1 60 60 LYS HG3 H 1 1.381 0.027 . 1 . . . . 54 . . . 6147 1 587 . 1 1 60 60 LYS CD C 13 30.214 0.331 . 1 . . . . 54 . . . 6147 1 588 . 1 1 60 60 LYS HD2 H 1 1.682 0.053 . 1 . . . . 54 . . . 6147 1 589 . 1 1 60 60 LYS HD3 H 1 2.243 0.020 . 1 . . . . 54 . . . 6147 1 590 . 1 1 60 60 LYS CE C 13 42.730 0.199 . 1 . . . . 54 . . . 6147 1 591 . 1 1 60 60 LYS HE2 H 1 3.150 0.015 . 1 . . . . 54 . . . 6147 1 592 . 1 1 60 60 LYS HE3 H 1 3.050 0.043 . 1 . . . . 54 . . . 6147 1 593 . 1 1 61 61 GLU H H 1 8.046 0.021 . 1 . . . . 55 . . . 6147 1 594 . 1 1 61 61 GLU N N 15 122.657 0.208 . 1 . . . . 55 . . . 6147 1 595 . 1 1 61 61 GLU CA C 13 59.868 0.236 . 1 . . . . 55 . . . 6147 1 596 . 1 1 61 61 GLU HA H 1 4.286 0.039 . 1 . . . . 55 . . . 6147 1 597 . 1 1 61 61 GLU C C 13 181.425 0.053 . 1 . . . . 55 . . . 6147 1 598 . 1 1 61 61 GLU CB C 13 30.349 0.349 . 1 . . . . 55 . . . 6147 1 599 . 1 1 61 61 GLU HB2 H 1 1.788 0.011 . 1 . . . . 55 . . . 6147 1 600 . 1 1 61 61 GLU HB3 H 1 2.325 0.026 . 1 . . . . 55 . . . 6147 1 601 . 1 1 61 61 GLU CG C 13 36.655 0.416 . 1 . . . . 55 . . . 6147 1 602 . 1 1 61 61 GLU HG2 H 1 2.554 0.034 . 1 . . . . 55 . . . 6147 1 603 . 1 1 61 61 GLU HG3 H 1 2.343 0.033 . 1 . . . . 55 . . . 6147 1 604 . 1 1 62 62 ILE H H 1 8.934 0.041 . 1 . . . . 56 . . . 6147 1 605 . 1 1 62 62 ILE N N 15 116.511 0.138 . 1 . . . . 56 . . . 6147 1 606 . 1 1 62 62 ILE CA C 13 65.114 0.147 . 1 . . . . 56 . . . 6147 1 607 . 1 1 62 62 ILE HA H 1 3.941 0.020 . 1 . . . . 56 . . . 6147 1 608 . 1 1 62 62 ILE C C 13 179.480 0.029 . 1 . . . . 56 . . . 6147 1 609 . 1 1 62 62 ILE CB C 13 38.100 1.497 . 1 . . . . 56 . . . 6147 1 610 . 1 1 62 62 ILE HB H 1 1.086 0.023 . 1 . . . . 56 . . . 6147 1 611 . 1 1 62 62 ILE CG2 C 13 19.301 0.247 . 1 . . . . 56 . . . 6147 1 612 . 1 1 62 62 ILE HG21 H 1 0.167 0.022 . 1 . . . . 56 . . . 6147 1 613 . 1 1 62 62 ILE HG22 H 1 0.167 0.022 . 1 . . . . 56 . . . 6147 1 614 . 1 1 62 62 ILE HG23 H 1 0.167 0.022 . 1 . . . . 56 . . . 6147 1 615 . 1 1 62 62 ILE CG1 C 13 25.912 0.191 . 1 . . . . 56 . . . 6147 1 616 . 1 1 62 62 ILE HG12 H 1 1.309 0.031 . 1 . . . . 56 . . . 6147 1 617 . 1 1 62 62 ILE HG13 H 1 1.507 0.039 . 1 . . . . 56 . . . 6147 1 618 . 1 1 62 62 ILE CD1 C 13 15.819 0.190 . 1 . . . . 56 . . . 6147 1 619 . 1 1 62 62 ILE HD11 H 1 0.738 0.033 . 1 . . . . 56 . . . 6147 1 620 . 1 1 62 62 ILE HD12 H 1 0.738 0.033 . 1 . . . . 56 . . . 6147 1 621 . 1 1 62 62 ILE HD13 H 1 0.738 0.033 . 1 . . . . 56 . . . 6147 1 622 . 1 1 63 63 SER H H 1 8.230 0.021 . 1 . . . . 57 . . . 6147 1 623 . 1 1 63 63 SER N N 15 120.720 0.164 . 1 . . . . 57 . . . 6147 1 624 . 1 1 63 63 SER CA C 13 63.603 0.289 . 1 . . . . 57 . . . 6147 1 625 . 1 1 63 63 SER HA H 1 4.167 0.030 . 1 . . . . 57 . . . 6147 1 626 . 1 1 63 63 SER C C 13 175.923 0.047 . 1 . . . . 57 . . . 6147 1 627 . 1 1 63 63 SER CB C 13 68.080 0.166 . 1 . . . . 57 . . . 6147 1 628 . 1 1 63 63 SER HB2 H 1 4.207 0.011 . 1 . . . . 57 . . . 6147 1 629 . 1 1 64 64 HIS H H 1 7.769 0.051 . 1 . . . . 58 . . . 6147 1 630 . 1 1 64 64 HIS N N 15 120.177 0.142 . 1 . . . . 58 . . . 6147 1 631 . 1 1 64 64 HIS CA C 13 60.087 0.178 . 1 . . . . 58 . . . 6147 1 632 . 1 1 64 64 HIS HA H 1 4.251 0.015 . 1 . . . . 58 . . . 6147 1 633 . 1 1 64 64 HIS C C 13 177.799 0.035 . 1 . . . . 58 . . . 6147 1 634 . 1 1 64 64 HIS CB C 13 29.787 0.280 . 1 . . . . 58 . . . 6147 1 635 . 1 1 64 64 HIS HB2 H 1 3.508 0.020 . 1 . . . . 58 . . . 6147 1 636 . 1 1 64 64 HIS HD2 H 1 6.956 0.078 . 1 . . . . 58 . . . 6147 1 637 . 1 1 65 65 ALA H H 1 7.775 0.024 . 1 . . . . 59 . . . 6147 1 638 . 1 1 65 65 ALA N N 15 122.179 0.108 . 1 . . . . 59 . . . 6147 1 639 . 1 1 65 65 ALA CA C 13 55.709 0.079 . 1 . . . . 59 . . . 6147 1 640 . 1 1 65 65 ALA HA H 1 4.272 0.022 . 1 . . . . 59 . . . 6147 1 641 . 1 1 65 65 ALA C C 13 182.145 0.069 . 1 . . . . 59 . . . 6147 1 642 . 1 1 65 65 ALA CB C 13 18.802 0.106 . 1 . . . . 59 . . . 6147 1 643 . 1 1 65 65 ALA HB1 H 1 1.784 0.036 . 1 . . . . 59 . . . 6147 1 644 . 1 1 65 65 ALA HB2 H 1 1.784 0.036 . 1 . . . . 59 . . . 6147 1 645 . 1 1 65 65 ALA HB3 H 1 1.784 0.036 . 1 . . . . 59 . . . 6147 1 646 . 1 1 66 66 LEU H H 1 9.146 0.036 . 1 . . . . 60 . . . 6147 1 647 . 1 1 66 66 LEU N N 15 120.196 0.116 . 1 . . . . 60 . . . 6147 1 648 . 1 1 66 66 LEU CA C 13 57.034 0.181 . 1 . . . . 60 . . . 6147 1 649 . 1 1 66 66 LEU HA H 1 4.762 0.037 . 1 . . . . 60 . . . 6147 1 650 . 1 1 66 66 LEU C C 13 179.714 0.097 . 1 . . . . 60 . . . 6147 1 651 . 1 1 66 66 LEU CB C 13 44.559 0.169 . 1 . . . . 60 . . . 6147 1 652 . 1 1 66 66 LEU HB2 H 1 2.172 0.032 . 1 . . . . 60 . . . 6147 1 653 . 1 1 66 66 LEU HB3 H 1 2.020 0.026 . 1 . . . . 60 . . . 6147 1 654 . 1 1 66 66 LEU CG C 13 26.011 0.046 . 1 . . . . 60 . . . 6147 1 655 . 1 1 66 66 LEU CD1 C 13 24.387 0.284 . 1 . . . . 60 . . . 6147 1 656 . 1 1 66 66 LEU HD11 H 1 1.369 0.017 . 1 . . . . 60 . . . 6147 1 657 . 1 1 66 66 LEU HD12 H 1 1.369 0.017 . 1 . . . . 60 . . . 6147 1 658 . 1 1 66 66 LEU HD13 H 1 1.369 0.017 . 1 . . . . 60 . . . 6147 1 659 . 1 1 66 66 LEU CD2 C 13 26.124 0.160 . 1 . . . . 60 . . . 6147 1 660 . 1 1 66 66 LEU HD21 H 1 0.909 0.011 . 1 . . . . 60 . . . 6147 1 661 . 1 1 66 66 LEU HD22 H 1 0.909 0.011 . 1 . . . . 60 . . . 6147 1 662 . 1 1 66 66 LEU HD23 H 1 0.909 0.011 . 1 . . . . 60 . . . 6147 1 663 . 1 1 66 66 LEU HG H 1 1.475 0.053 . 1 . . . . 60 . . . 6147 1 664 . 1 1 67 67 LYS H H 1 7.831 0.038 . 1 . . . . 61 . . . 6147 1 665 . 1 1 67 67 LYS N N 15 117.745 0.102 . 1 . . . . 61 . . . 6147 1 666 . 1 1 67 67 LYS CA C 13 59.932 0.146 . 1 . . . . 61 . . . 6147 1 667 . 1 1 67 67 LYS HA H 1 4.321 0.027 . 1 . . . . 61 . . . 6147 1 668 . 1 1 67 67 LYS C C 13 177.329 0.027 . 1 . . . . 61 . . . 6147 1 669 . 1 1 67 67 LYS CB C 13 31.283 0.554 . 1 . . . . 61 . . . 6147 1 670 . 1 1 67 67 LYS HB2 H 1 1.933 0.048 . 1 . . . . 61 . . . 6147 1 671 . 1 1 67 67 LYS HB3 H 1 1.754 0.036 . 1 . . . . 61 . . . 6147 1 672 . 1 1 67 67 LYS CG C 13 24.066 0.035 . 1 . . . . 61 . . . 6147 1 673 . 1 1 67 67 LYS HG3 H 1 1.131 0.036 . 1 . . . . 61 . . . 6147 1 674 . 1 1 67 67 LYS CD C 13 24.485 0.073 . 1 . . . . 61 . . . 6147 1 675 . 1 1 67 67 LYS CE C 13 42.367 0.201 . 1 . . . . 61 . . . 6147 1 676 . 1 1 67 67 LYS HE2 H 1 3.022 0.033 . 1 . . . . 61 . . . 6147 1 677 . 1 1 67 67 LYS HE3 H 1 3.106 0.037 . 1 . . . . 61 . . . 6147 1 678 . 1 1 68 68 SER H H 1 7.362 0.051 . 1 . . . . 62 . . . 6147 1 679 . 1 1 68 68 SER N N 15 111.109 0.141 . 1 . . . . 62 . . . 6147 1 680 . 1 1 68 68 SER CA C 13 60.034 0.125 . 1 . . . . 62 . . . 6147 1 681 . 1 1 68 68 SER HA H 1 4.831 0.065 . 1 . . . . 62 . . . 6147 1 682 . 1 1 68 68 SER C C 13 177.322 0.146 . 1 . . . . 62 . . . 6147 1 683 . 1 1 68 68 SER CB C 13 63.118 0.212 . 1 . . . . 62 . . . 6147 1 684 . 1 1 68 68 SER HB2 H 1 3.555 0.076 . 1 . . . . 62 . . . 6147 1 685 . 1 1 68 68 SER HB3 H 1 4.090 0.022 . 1 . . . . 62 . . . 6147 1 686 . 1 1 69 69 SER H H 1 8.521 0.028 . 1 . . . . 63 . . . 6147 1 687 . 1 1 69 69 SER N N 15 119.693 0.127 . 1 . . . . 63 . . . 6147 1 688 . 1 1 69 69 SER CA C 13 61.492 0.183 . 1 . . . . 63 . . . 6147 1 689 . 1 1 69 69 SER HA H 1 4.311 0.018 . 1 . . . . 63 . . . 6147 1 690 . 1 1 69 69 SER C C 13 177.339 0.097 . 1 . . . . 63 . . . 6147 1 691 . 1 1 69 69 SER CB C 13 63.445 0.144 . 1 . . . . 63 . . . 6147 1 692 . 1 1 69 69 SER HB2 H 1 4.252 0.033 . 1 . . . . 63 . . . 6147 1 693 . 1 1 69 69 SER HB3 H 1 4.058 0.024 . 1 . . . . 63 . . . 6147 1 694 . 1 1 70 70 ALA H H 1 9.140 0.031 . 1 . . . . 64 . . . 6147 1 695 . 1 1 70 70 ALA N N 15 123.310 0.095 . 1 . . . . 64 . . . 6147 1 696 . 1 1 70 70 ALA CA C 13 55.777 0.102 . 1 . . . . 64 . . . 6147 1 697 . 1 1 70 70 ALA HA H 1 4.303 0.016 . 1 . . . . 64 . . . 6147 1 698 . 1 1 70 70 ALA C C 13 180.572 0.050 . 1 . . . . 64 . . . 6147 1 699 . 1 1 70 70 ALA CB C 13 17.726 0.124 . 1 . . . . 64 . . . 6147 1 700 . 1 1 70 70 ALA HB1 H 1 1.895 0.032 . 1 . . . . 64 . . . 6147 1 701 . 1 1 70 70 ALA HB2 H 1 1.895 0.032 . 1 . . . . 64 . . . 6147 1 702 . 1 1 70 70 ALA HB3 H 1 1.895 0.032 . 1 . . . . 64 . . . 6147 1 703 . 1 1 71 71 ALA H H 1 6.928 0.043 . 1 . . . . 65 . . . 6147 1 704 . 1 1 71 71 ALA N N 15 119.243 0.102 . 1 . . . . 65 . . . 6147 1 705 . 1 1 71 71 ALA CA C 13 55.136 0.037 . 1 . . . . 65 . . . 6147 1 706 . 1 1 71 71 ALA HA H 1 4.377 0.028 . 1 . . . . 65 . . . 6147 1 707 . 1 1 71 71 ALA C C 13 181.815 0.036 . 1 . . . . 65 . . . 6147 1 708 . 1 1 71 71 ALA CB C 13 18.859 0.103 . 1 . . . . 65 . . . 6147 1 709 . 1 1 71 71 ALA HB1 H 1 1.814 0.016 . 1 . . . . 65 . . . 6147 1 710 . 1 1 71 71 ALA HB2 H 1 1.814 0.016 . 1 . . . . 65 . . . 6147 1 711 . 1 1 71 71 ALA HB3 H 1 1.814 0.016 . 1 . . . . 65 . . . 6147 1 712 . 1 1 72 72 SER H H 1 7.742 0.019 . 1 . . . . 66 . . . 6147 1 713 . 1 1 72 72 SER N N 15 115.157 0.122 . 1 . . . . 66 . . . 6147 1 714 . 1 1 72 72 SER CA C 13 61.758 0.180 . 1 . . . . 66 . . . 6147 1 715 . 1 1 72 72 SER HA H 1 4.183 0.019 . 1 . . . . 66 . . . 6147 1 716 . 1 1 72 72 SER C C 13 175.285 0.074 . 1 . . . . 66 . . . 6147 1 717 . 1 1 72 72 SER CB C 13 62.855 0.111 . 1 . . . . 66 . . . 6147 1 718 . 1 1 72 72 SER HB2 H 1 3.483 0.041 . 1 . . . . 66 . . . 6147 1 719 . 1 1 73 73 PHE H H 1 6.990 0.035 . 1 . . . . 67 . . . 6147 1 720 . 1 1 73 73 PHE N N 15 113.622 0.135 . 1 . . . . 67 . . . 6147 1 721 . 1 1 73 73 PHE CA C 13 57.060 0.465 . 1 . . . . 67 . . . 6147 1 722 . 1 1 73 73 PHE HA H 1 4.707 0.065 . 1 . . . . 67 . . . 6147 1 723 . 1 1 73 73 PHE C C 13 177.100 0.019 . 1 . . . . 67 . . . 6147 1 724 . 1 1 73 73 PHE CB C 13 39.575 0.199 . 1 . . . . 67 . . . 6147 1 725 . 1 1 73 73 PHE HB2 H 1 3.249 0.021 . 1 . . . . 67 . . . 6147 1 726 . 1 1 73 73 PHE HB3 H 1 1.884 0.030 . 1 . . . . 67 . . . 6147 1 727 . 1 1 73 73 PHE HD2 H 1 7.086 0.014 . 1 . . . . 67 . . . 6147 1 728 . 1 1 74 74 GLY H H 1 7.730 0.033 . 1 . . . . 68 . . . 6147 1 729 . 1 1 74 74 GLY N N 15 108.123 0.138 . 1 . . . . 68 . . . 6147 1 730 . 1 1 74 74 GLY CA C 13 47.240 0.255 . 1 . . . . 68 . . . 6147 1 731 . 1 1 74 74 GLY HA2 H 1 4.281 0.046 . 1 . . . . 68 . . . 6147 1 732 . 1 1 74 74 GLY HA3 H 1 4.143 0.046 . 1 . . . . 68 . . . 6147 1 733 . 1 1 74 74 GLY C C 13 174.366 0.000 . 1 . . . . 68 . . . 6147 1 734 . 1 1 75 75 ALA H H 1 8.424 0.026 . 1 . . . . 69 . . . 6147 1 735 . 1 1 75 75 ALA N N 15 128.549 0.088 . 1 . . . . 69 . . . 6147 1 736 . 1 1 75 75 ALA CA C 13 50.384 0.127 . 1 . . . . 69 . . . 6147 1 737 . 1 1 75 75 ALA HA H 1 5.662 0.695 . 1 . . . . 69 . . . 6147 1 738 . 1 1 75 75 ALA C C 13 178.945 0.018 . 1 . . . . 69 . . . 6147 1 739 . 1 1 75 75 ALA CB C 13 16.582 0.105 . 1 . . . . 69 . . . 6147 1 740 . 1 1 75 75 ALA HB1 H 1 2.348 0.799 . 1 . . . . 69 . . . 6147 1 741 . 1 1 75 75 ALA HB2 H 1 2.348 0.799 . 1 . . . . 69 . . . 6147 1 742 . 1 1 75 75 ALA HB3 H 1 2.348 0.799 . 1 . . . . 69 . . . 6147 1 743 . 1 1 76 76 ASP H H 1 7.679 0.024 . 1 . . . . 70 . . . 6147 1 744 . 1 1 76 76 ASP N N 15 123.535 0.109 . 1 . . . . 70 . . . 6147 1 745 . 1 1 76 76 ASP CA C 13 58.322 0.447 . 1 . . . . 70 . . . 6147 1 746 . 1 1 76 76 ASP HA H 1 4.401 0.023 . 1 . . . . 70 . . . 6147 1 747 . 1 1 76 76 ASP C C 13 179.551 0.147 . 1 . . . . 70 . . . 6147 1 748 . 1 1 76 76 ASP CB C 13 40.644 0.457 . 1 . . . . 70 . . . 6147 1 749 . 1 1 76 76 ASP HB2 H 1 2.782 0.033 . 1 . . . . 70 . . . 6147 1 750 . 1 1 76 76 ASP HB3 H 1 3.438 0.021 . 1 . . . . 70 . . . 6147 1 751 . 1 1 77 77 ARG H H 1 8.490 0.032 . 1 . . . . 71 . . . 6147 1 752 . 1 1 77 77 ARG N N 15 124.166 0.122 . 1 . . . . 71 . . . 6147 1 753 . 1 1 77 77 ARG CA C 13 60.201 0.226 . 1 . . . . 71 . . . 6147 1 754 . 1 1 77 77 ARG HA H 1 4.274 0.031 . 1 . . . . 71 . . . 6147 1 755 . 1 1 77 77 ARG C C 13 180.003 0.017 . 1 . . . . 71 . . . 6147 1 756 . 1 1 77 77 ARG CB C 13 30.198 0.163 . 1 . . . . 71 . . . 6147 1 757 . 1 1 77 77 ARG HB2 H 1 1.846 0.035 . 1 . . . . 71 . . . 6147 1 758 . 1 1 77 77 ARG HB3 H 1 2.084 0.028 . 1 . . . . 71 . . . 6147 1 759 . 1 1 77 77 ARG CG C 13 26.284 0.183 . 1 . . . . 71 . . . 6147 1 760 . 1 1 77 77 ARG HG2 H 1 1.734 0.030 . 1 . . . . 71 . . . 6147 1 761 . 1 1 77 77 ARG HG3 H 1 1.088 0.036 . 1 . . . . 71 . . . 6147 1 762 . 1 1 77 77 ARG CD C 13 42.897 0.425 . 1 . . . . 71 . . . 6147 1 763 . 1 1 77 77 ARG HD2 H 1 3.203 0.032 . 1 . . . . 71 . . . 6147 1 764 . 1 1 78 78 LEU H H 1 9.062 0.037 . 1 . . . . 72 . . . 6147 1 765 . 1 1 78 78 LEU N N 15 122.965 0.249 . 1 . . . . 72 . . . 6147 1 766 . 1 1 78 78 LEU CA C 13 58.495 0.396 . 1 . . . . 72 . . . 6147 1 767 . 1 1 78 78 LEU HA H 1 4.278 0.051 . 1 . . . . 72 . . . 6147 1 768 . 1 1 78 78 LEU C C 13 178.176 0.000 . 1 . . . . 72 . . . 6147 1 769 . 1 1 78 78 LEU CB C 13 42.236 0.167 . 1 . . . . 72 . . . 6147 1 770 . 1 1 78 78 LEU HB2 H 1 3.136 0.034 . 1 . . . . 72 . . . 6147 1 771 . 1 1 78 78 LEU HB3 H 1 1.812 0.042 . 1 . . . . 72 . . . 6147 1 772 . 1 1 78 78 LEU CG C 13 32.431 0.000 . 1 . . . . 72 . . . 6147 1 773 . 1 1 78 78 LEU CD1 C 13 28.391 0.205 . 1 . . . . 72 . . . 6147 1 774 . 1 1 78 78 LEU HD11 H 1 1.126 0.026 . 1 . . . . 72 . . . 6147 1 775 . 1 1 78 78 LEU HD12 H 1 1.126 0.026 . 1 . . . . 72 . . . 6147 1 776 . 1 1 78 78 LEU HD13 H 1 1.126 0.026 . 1 . . . . 72 . . . 6147 1 777 . 1 1 78 78 LEU CD2 C 13 27.245 0.179 . 1 . . . . 72 . . . 6147 1 778 . 1 1 78 78 LEU HD21 H 1 0.770 0.073 . 1 . . . . 72 . . . 6147 1 779 . 1 1 78 78 LEU HD22 H 1 0.770 0.073 . 1 . . . . 72 . . . 6147 1 780 . 1 1 78 78 LEU HD23 H 1 0.770 0.073 . 1 . . . . 72 . . . 6147 1 781 . 1 1 78 78 LEU HG H 1 1.227 0.064 . 1 . . . . 72 . . . 6147 1 782 . 1 1 79 79 CYS H H 1 9.114 0.051 . 1 . . . . 73 . . . 6147 1 783 . 1 1 79 79 CYS N N 15 120.054 0.200 . 1 . . . . 73 . . . 6147 1 784 . 1 1 79 79 CYS CA C 13 64.399 0.215 . 1 . . . . 73 . . . 6147 1 785 . 1 1 79 79 CYS HA H 1 3.846 0.056 . 1 . . . . 73 . . . 6147 1 786 . 1 1 79 79 CYS C C 13 176.800 0.004 . 1 . . . . 73 . . . 6147 1 787 . 1 1 79 79 CYS CB C 13 27.418 0.152 . 1 . . . . 73 . . . 6147 1 788 . 1 1 79 79 CYS HB2 H 1 3.276 0.046 . 1 . . . . 73 . . . 6147 1 789 . 1 1 79 79 CYS HB3 H 1 2.952 0.039 . 1 . . . . 73 . . . 6147 1 790 . 1 1 80 80 GLU H H 1 8.527 0.042 . 1 . . . . 74 . . . 6147 1 791 . 1 1 80 80 GLU N N 15 117.730 0.087 . 1 . . . . 74 . . . 6147 1 792 . 1 1 80 80 GLU CA C 13 60.178 0.223 . 1 . . . . 74 . . . 6147 1 793 . 1 1 80 80 GLU HA H 1 4.177 0.037 . 1 . . . . 74 . . . 6147 1 794 . 1 1 80 80 GLU C C 13 180.413 0.087 . 1 . . . . 74 . . . 6147 1 795 . 1 1 80 80 GLU CB C 13 29.953 0.197 . 1 . . . . 74 . . . 6147 1 796 . 1 1 80 80 GLU HB3 H 1 2.408 0.024 . 1 . . . . 74 . . . 6147 1 797 . 1 1 80 80 GLU CG C 13 37.011 0.423 . 1 . . . . 74 . . . 6147 1 798 . 1 1 80 80 GLU HG2 H 1 2.530 0.011 . 1 . . . . 74 . . . 6147 1 799 . 1 1 80 80 GLU HG3 H 1 2.685 0.018 . 1 . . . . 74 . . . 6147 1 800 . 1 1 81 81 ARG H H 1 7.991 0.043 . 1 . . . . 75 . . . 6147 1 801 . 1 1 81 81 ARG N N 15 121.251 0.132 . 1 . . . . 75 . . . 6147 1 802 . 1 1 81 81 ARG CA C 13 57.849 0.214 . 1 . . . . 75 . . . 6147 1 803 . 1 1 81 81 ARG HA H 1 4.406 0.054 . 1 . . . . 75 . . . 6147 1 804 . 1 1 81 81 ARG C C 13 178.740 0.046 . 1 . . . . 75 . . . 6147 1 805 . 1 1 81 81 ARG CB C 13 29.964 0.133 . 1 . . . . 75 . . . 6147 1 806 . 1 1 81 81 ARG HB2 H 1 1.905 0.024 . 1 . . . . 75 . . . 6147 1 807 . 1 1 81 81 ARG HB3 H 1 2.167 0.010 . 1 . . . . 75 . . . 6147 1 808 . 1 1 81 81 ARG CG C 13 25.470 0.126 . 1 . . . . 75 . . . 6147 1 809 . 1 1 81 81 ARG HG2 H 1 1.518 0.007 . 1 . . . . 75 . . . 6147 1 810 . 1 1 81 81 ARG HG3 H 1 2.484 0.011 . 1 . . . . 75 . . . 6147 1 811 . 1 1 81 81 ARG CD C 13 42.431 0.331 . 1 . . . . 75 . . . 6147 1 812 . 1 1 81 81 ARG HD2 H 1 3.511 0.027 . 1 . . . . 75 . . . 6147 1 813 . 1 1 81 81 ARG HD3 H 1 3.147 0.033 . 1 . . . . 75 . . . 6147 1 814 . 1 1 82 82 ALA H H 1 8.856 0.039 . 1 . . . . 76 . . . 6147 1 815 . 1 1 82 82 ALA N N 15 123.382 0.332 . 1 . . . . 76 . . . 6147 1 816 . 1 1 82 82 ALA CA C 13 56.099 0.325 . 1 . . . . 76 . . . 6147 1 817 . 1 1 82 82 ALA HA H 1 4.233 0.025 . 1 . . . . 76 . . . 6147 1 818 . 1 1 82 82 ALA C C 13 180.312 0.160 . 1 . . . . 76 . . . 6147 1 819 . 1 1 82 82 ALA CB C 13 18.618 0.227 . 1 . . . . 76 . . . 6147 1 820 . 1 1 82 82 ALA HB1 H 1 1.766 0.136 . 1 . . . . 76 . . . 6147 1 821 . 1 1 82 82 ALA HB2 H 1 1.766 0.136 . 1 . . . . 76 . . . 6147 1 822 . 1 1 82 82 ALA HB3 H 1 1.766 0.136 . 1 . . . . 76 . . . 6147 1 823 . 1 1 83 83 ILE H H 1 8.983 0.039 . 1 . . . . 77 . . . 6147 1 824 . 1 1 83 83 ILE N N 15 118.802 0.110 . 1 . . . . 77 . . . 6147 1 825 . 1 1 83 83 ILE CA C 13 66.260 0.099 . 1 . . . . 77 . . . 6147 1 826 . 1 1 83 83 ILE HA H 1 3.743 0.076 . 1 . . . . 77 . . . 6147 1 827 . 1 1 83 83 ILE C C 13 179.512 0.024 . 1 . . . . 77 . . . 6147 1 828 . 1 1 83 83 ILE CB C 13 38.853 0.225 . 1 . . . . 77 . . . 6147 1 829 . 1 1 83 83 ILE HB H 1 2.124 0.060 . 1 . . . . 77 . . . 6147 1 830 . 1 1 83 83 ILE CG2 C 13 18.058 0.289 . 1 . . . . 77 . . . 6147 1 831 . 1 1 83 83 ILE HG21 H 1 1.171 0.026 . 1 . . . . 77 . . . 6147 1 832 . 1 1 83 83 ILE HG22 H 1 1.171 0.026 . 1 . . . . 77 . . . 6147 1 833 . 1 1 83 83 ILE HG23 H 1 1.171 0.026 . 1 . . . . 77 . . . 6147 1 834 . 1 1 83 83 ILE HG12 H 1 1.061 0.045 . 1 . . . . 77 . . . 6147 1 835 . 1 1 83 83 ILE HG13 H 1 2.335 0.037 . 1 . . . . 77 . . . 6147 1 836 . 1 1 83 83 ILE CD1 C 13 15.951 0.143 . 1 . . . . 77 . . . 6147 1 837 . 1 1 83 83 ILE HD11 H 1 0.715 0.037 . 1 . . . . 77 . . . 6147 1 838 . 1 1 83 83 ILE HD12 H 1 0.715 0.037 . 1 . . . . 77 . . . 6147 1 839 . 1 1 83 83 ILE HD13 H 1 0.715 0.037 . 1 . . . . 77 . . . 6147 1 840 . 1 1 84 84 ALA H H 1 7.925 0.044 . 1 . . . . 78 . . . 6147 1 841 . 1 1 84 84 ALA N N 15 123.428 0.125 . 1 . . . . 78 . . . 6147 1 842 . 1 1 84 84 ALA CA C 13 55.531 0.342 . 1 . . . . 78 . . . 6147 1 843 . 1 1 84 84 ALA HA H 1 4.434 0.024 . 1 . . . . 78 . . . 6147 1 844 . 1 1 84 84 ALA C C 13 182.108 0.046 . 1 . . . . 78 . . . 6147 1 845 . 1 1 84 84 ALA CB C 13 18.632 0.050 . 1 . . . . 78 . . . 6147 1 846 . 1 1 84 84 ALA HB1 H 1 1.805 0.042 . 1 . . . . 78 . . . 6147 1 847 . 1 1 84 84 ALA HB2 H 1 1.805 0.042 . 1 . . . . 78 . . . 6147 1 848 . 1 1 84 84 ALA HB3 H 1 1.805 0.042 . 1 . . . . 78 . . . 6147 1 849 . 1 1 85 85 ILE H H 1 8.870 0.027 . 1 . . . . 79 . . . 6147 1 850 . 1 1 85 85 ILE N N 15 121.564 0.249 . 1 . . . . 79 . . . 6147 1 851 . 1 1 85 85 ILE CA C 13 66.137 0.099 . 1 . . . . 79 . . . 6147 1 852 . 1 1 85 85 ILE HA H 1 3.809 0.071 . 1 . . . . 79 . . . 6147 1 853 . 1 1 85 85 ILE C C 13 178.159 0.017 . 1 . . . . 79 . . . 6147 1 854 . 1 1 85 85 ILE CB C 13 37.514 0.142 . 1 . . . . 79 . . . 6147 1 855 . 1 1 85 85 ILE HB H 1 2.058 0.028 . 1 . . . . 79 . . . 6147 1 856 . 1 1 85 85 ILE CG2 C 13 18.562 0.177 . 1 . . . . 79 . . . 6147 1 857 . 1 1 85 85 ILE HG21 H 1 1.024 0.017 . 1 . . . . 79 . . . 6147 1 858 . 1 1 85 85 ILE HG22 H 1 1.024 0.017 . 1 . . . . 79 . . . 6147 1 859 . 1 1 85 85 ILE HG23 H 1 1.024 0.017 . 1 . . . . 79 . . . 6147 1 860 . 1 1 85 85 ILE CG1 C 13 29.713 0.182 . 1 . . . . 79 . . . 6147 1 861 . 1 1 85 85 ILE HG12 H 1 1.180 0.036 . 1 . . . . 79 . . . 6147 1 862 . 1 1 85 85 ILE HG13 H 1 1.577 0.083 . 1 . . . . 79 . . . 6147 1 863 . 1 1 85 85 ILE CD1 C 13 13.737 0.459 . 1 . . . . 79 . . . 6147 1 864 . 1 1 86 86 ASP H H 1 8.836 0.028 . 1 . . . . 80 . . . 6147 1 865 . 1 1 86 86 ASP N N 15 122.207 0.162 . 1 . . . . 80 . . . 6147 1 866 . 1 1 86 86 ASP CA C 13 57.922 0.046 . 1 . . . . 80 . . . 6147 1 867 . 1 1 86 86 ASP HA H 1 4.866 0.100 . 1 . . . . 80 . . . 6147 1 868 . 1 1 86 86 ASP C C 13 178.933 0.031 . 1 . . . . 80 . . . 6147 1 869 . 1 1 86 86 ASP CB C 13 43.345 0.173 . 1 . . . . 80 . . . 6147 1 870 . 1 1 86 86 ASP HB2 H 1 2.994 0.055 . 1 . . . . 80 . . . 6147 1 871 . 1 1 86 86 ASP HB3 H 1 2.721 0.022 . 1 . . . . 80 . . . 6147 1 872 . 1 1 87 87 LYS H H 1 8.459 0.029 . 1 . . . . 81 . . . 6147 1 873 . 1 1 87 87 LYS N N 15 119.097 0.186 . 1 . . . . 81 . . . 6147 1 874 . 1 1 87 87 LYS CA C 13 60.185 0.180 . 1 . . . . 81 . . . 6147 1 875 . 1 1 87 87 LYS HA H 1 4.228 0.032 . 1 . . . . 81 . . . 6147 1 876 . 1 1 87 87 LYS C C 13 181.067 0.074 . 1 . . . . 81 . . . 6147 1 877 . 1 1 87 87 LYS CB C 13 32.644 0.394 . 1 . . . . 81 . . . 6147 1 878 . 1 1 87 87 LYS HB2 H 1 2.130 0.043 . 1 . . . . 81 . . . 6147 1 879 . 1 1 87 87 LYS CG C 13 25.441 0.157 . 1 . . . . 81 . . . 6147 1 880 . 1 1 87 87 LYS HG2 H 1 1.119 0.030 . 1 . . . . 81 . . . 6147 1 881 . 1 1 87 87 LYS HG3 H 1 2.176 0.029 . 1 . . . . 81 . . . 6147 1 882 . 1 1 87 87 LYS CD C 13 30.448 0.424 . 1 . . . . 81 . . . 6147 1 883 . 1 1 87 87 LYS HD2 H 1 1.927 0.033 . 1 . . . . 81 . . . 6147 1 884 . 1 1 87 87 LYS HD3 H 1 1.710 0.022 . 1 . . . . 81 . . . 6147 1 885 . 1 1 87 87 LYS CE C 13 42.553 0.247 . 1 . . . . 81 . . . 6147 1 886 . 1 1 87 87 LYS HE2 H 1 3.042 0.022 . 1 . . . . 81 . . . 6147 1 887 . 1 1 87 87 LYS HE3 H 1 3.191 0.031 . 1 . . . . 81 . . . 6147 1 888 . 1 1 88 88 LYS H H 1 8.048 0.038 . 1 . . . . 82 . . . 6147 1 889 . 1 1 88 88 LYS N N 15 121.295 0.237 . 1 . . . . 82 . . . 6147 1 890 . 1 1 88 88 LYS CA C 13 60.105 0.137 . 1 . . . . 82 . . . 6147 1 891 . 1 1 88 88 LYS HA H 1 4.293 0.020 . 1 . . . . 82 . . . 6147 1 892 . 1 1 88 88 LYS C C 13 180.099 0.019 . 1 . . . . 82 . . . 6147 1 893 . 1 1 88 88 LYS CB C 13 34.262 0.378 . 1 . . . . 82 . . . 6147 1 894 . 1 1 88 88 LYS HB2 H 1 1.801 0.044 . 1 . . . . 82 . . . 6147 1 895 . 1 1 88 88 LYS HB3 H 1 2.233 0.042 . 1 . . . . 82 . . . 6147 1 896 . 1 1 88 88 LYS CG C 13 26.781 0.054 . 1 . . . . 82 . . . 6147 1 897 . 1 1 88 88 LYS CD C 13 30.764 0.148 . 1 . . . . 82 . . . 6147 1 898 . 1 1 88 88 LYS HD2 H 1 2.193 0.018 . 1 . . . . 82 . . . 6147 1 899 . 1 1 88 88 LYS HD3 H 1 2.573 0.024 . 1 . . . . 82 . . . 6147 1 900 . 1 1 88 88 LYS CE C 13 42.538 0.423 . 1 . . . . 82 . . . 6147 1 901 . 1 1 88 88 LYS HE2 H 1 3.139 0.012 . 1 . . . . 82 . . . 6147 1 902 . 1 1 89 89 ALA H H 1 9.326 0.036 . 1 . . . . 83 . . . 6147 1 903 . 1 1 89 89 ALA N N 15 124.069 0.233 . 1 . . . . 83 . . . 6147 1 904 . 1 1 89 89 ALA CA C 13 55.807 0.221 . 1 . . . . 83 . . . 6147 1 905 . 1 1 89 89 ALA HA H 1 4.285 0.012 . 1 . . . . 83 . . . 6147 1 906 . 1 1 89 89 ALA C C 13 182.896 0.099 . 1 . . . . 83 . . . 6147 1 907 . 1 1 89 89 ALA CB C 13 18.950 0.092 . 1 . . . . 83 . . . 6147 1 908 . 1 1 89 89 ALA HB1 H 1 1.793 0.035 . 1 . . . . 83 . . . 6147 1 909 . 1 1 89 89 ALA HB2 H 1 1.793 0.035 . 1 . . . . 83 . . . 6147 1 910 . 1 1 89 89 ALA HB3 H 1 1.793 0.035 . 1 . . . . 83 . . . 6147 1 911 . 1 1 90 90 LYS H H 1 8.523 0.015 . 1 . . . . 84 . . . 6147 1 912 . 1 1 90 90 LYS N N 15 121.584 0.119 . 1 . . . . 84 . . . 6147 1 913 . 1 1 90 90 LYS CA C 13 59.323 0.137 . 1 . . . . 84 . . . 6147 1 914 . 1 1 90 90 LYS HA H 1 4.266 0.030 . 1 . . . . 84 . . . 6147 1 915 . 1 1 90 90 LYS C C 13 178.363 0.029 . 1 . . . . 84 . . . 6147 1 916 . 1 1 90 90 LYS CB C 13 32.710 0.176 . 1 . . . . 84 . . . 6147 1 917 . 1 1 90 90 LYS HB3 H 1 2.197 0.031 . 1 . . . . 84 . . . 6147 1 918 . 1 1 90 90 LYS CG C 13 26.660 0.424 . 1 . . . . 84 . . . 6147 1 919 . 1 1 90 90 LYS HG2 H 1 1.627 0.006 . 1 . . . . 84 . . . 6147 1 920 . 1 1 90 90 LYS HG3 H 1 1.885 0.033 . 1 . . . . 84 . . . 6147 1 921 . 1 1 90 90 LYS CD C 13 28.995 0.025 . 1 . . . . 84 . . . 6147 1 922 . 1 1 90 90 LYS HD2 H 1 1.922 0.048 . 1 . . . . 84 . . . 6147 1 923 . 1 1 90 90 LYS HD3 H 1 1.246 0.040 . 1 . . . . 84 . . . 6147 1 924 . 1 1 90 90 LYS CE C 13 42.953 0.968 . 1 . . . . 84 . . . 6147 1 925 . 1 1 90 90 LYS HE2 H 1 3.205 0.036 . 1 . . . . 84 . . . 6147 1 926 . 1 1 90 90 LYS HE3 H 1 3.129 0.033 . 1 . . . . 84 . . . 6147 1 927 . 1 1 91 91 ALA H H 1 7.577 0.035 . 1 . . . . 85 . . . 6147 1 928 . 1 1 91 91 ALA N N 15 120.378 0.149 . 1 . . . . 85 . . . 6147 1 929 . 1 1 91 91 ALA CA C 13 52.070 0.120 . 1 . . . . 85 . . . 6147 1 930 . 1 1 91 91 ALA HA H 1 4.670 0.031 . 1 . . . . 85 . . . 6147 1 931 . 1 1 91 91 ALA C C 13 177.392 0.015 . 1 . . . . 85 . . . 6147 1 932 . 1 1 91 91 ALA CB C 13 18.819 0.130 . 1 . . . . 85 . . . 6147 1 933 . 1 1 91 91 ALA HB1 H 1 1.609 0.058 . 1 . . . . 85 . . . 6147 1 934 . 1 1 91 91 ALA HB2 H 1 1.609 0.058 . 1 . . . . 85 . . . 6147 1 935 . 1 1 91 91 ALA HB3 H 1 1.609 0.058 . 1 . . . . 85 . . . 6147 1 936 . 1 1 92 92 ASN H H 1 8.317 0.041 . 1 . . . . 86 . . . 6147 1 937 . 1 1 92 92 ASN N N 15 116.621 0.092 . 1 . . . . 86 . . . 6147 1 938 . 1 1 92 92 ASN CA C 13 54.748 0.102 . 1 . . . . 86 . . . 6147 1 939 . 1 1 92 92 ASN HA H 1 4.781 0.041 . 1 . . . . 86 . . . 6147 1 940 . 1 1 92 92 ASN C C 13 176.618 0.014 . 1 . . . . 86 . . . 6147 1 941 . 1 1 92 92 ASN CB C 13 37.426 0.135 . 1 . . . . 86 . . . 6147 1 942 . 1 1 92 92 ASN HB2 H 1 3.388 0.046 . 1 . . . . 86 . . . 6147 1 943 . 1 1 92 92 ASN HB3 H 1 3.054 0.021 . 1 . . . . 86 . . . 6147 1 944 . 1 1 92 92 ASN CG C 13 178.015 0.000 . 1 . . . . 86 . . . 6147 1 945 . 1 1 93 93 GLN H H 1 8.572 0.048 . 1 . . . . 87 . . . 6147 1 946 . 1 1 93 93 GLN N N 15 115.106 0.114 . 1 . . . . 87 . . . 6147 1 947 . 1 1 93 93 GLN CA C 13 55.287 0.149 . 1 . . . . 87 . . . 6147 1 948 . 1 1 93 93 GLN HA H 1 4.738 0.025 . 1 . . . . 87 . . . 6147 1 949 . 1 1 93 93 GLN C C 13 176.892 0.065 . 1 . . . . 87 . . . 6147 1 950 . 1 1 93 93 GLN CB C 13 29.993 0.097 . 1 . . . . 87 . . . 6147 1 951 . 1 1 93 93 GLN HB2 H 1 1.897 0.033 . 1 . . . . 87 . . . 6147 1 952 . 1 1 93 93 GLN HB3 H 1 2.538 0.038 . 1 . . . . 87 . . . 6147 1 953 . 1 1 93 93 GLN CG C 13 33.962 0.110 . 1 . . . . 87 . . . 6147 1 954 . 1 1 93 93 GLN HG2 H 1 3.654 0.077 . 1 . . . . 87 . . . 6147 1 955 . 1 1 93 93 GLN HG3 H 1 3.414 0.044 . 1 . . . . 87 . . . 6147 1 956 . 1 1 94 94 LEU H H 1 7.994 0.021 . 1 . . . . 88 . . . 6147 1 957 . 1 1 94 94 LEU N N 15 122.146 0.238 . 1 . . . . 88 . . . 6147 1 958 . 1 1 94 94 LEU CA C 13 54.902 0.054 . 1 . . . . 88 . . . 6147 1 959 . 1 1 94 94 LEU HA H 1 4.742 0.037 . 1 . . . . 88 . . . 6147 1 960 . 1 1 94 94 LEU C C 13 177.005 0.049 . 1 . . . . 88 . . . 6147 1 961 . 1 1 94 94 LEU CB C 13 42.679 0.189 . 1 . . . . 88 . . . 6147 1 962 . 1 1 94 94 LEU HB2 H 1 1.872 0.034 . 1 . . . . 88 . . . 6147 1 963 . 1 1 94 94 LEU HB3 H 1 1.654 0.046 . 1 . . . . 88 . . . 6147 1 964 . 1 1 94 94 LEU CG C 13 32.719 0.096 . 1 . . . . 88 . . . 6147 1 965 . 1 1 94 94 LEU CD1 C 13 25.394 0.186 . 1 . . . . 88 . . . 6147 1 966 . 1 1 94 94 LEU HD11 H 1 1.064 0.034 . 1 . . . . 88 . . . 6147 1 967 . 1 1 94 94 LEU HD12 H 1 1.064 0.034 . 1 . . . . 88 . . . 6147 1 968 . 1 1 94 94 LEU HD13 H 1 1.064 0.034 . 1 . . . . 88 . . . 6147 1 969 . 1 1 94 94 LEU CD2 C 13 24.338 0.285 . 1 . . . . 88 . . . 6147 1 970 . 1 1 94 94 LEU HD21 H 1 1.116 0.008 . 1 . . . . 88 . . . 6147 1 971 . 1 1 94 94 LEU HD22 H 1 1.116 0.008 . 1 . . . . 88 . . . 6147 1 972 . 1 1 94 94 LEU HD23 H 1 1.116 0.008 . 1 . . . . 88 . . . 6147 1 973 . 1 1 94 94 LEU HG H 1 2.215 0.040 . 1 . . . . 88 . . . 6147 1 974 . 1 1 95 95 GLN H H 1 9.249 0.026 . 1 . . . . 89 . . . 6147 1 975 . 1 1 95 95 GLN N N 15 123.906 0.180 . 1 . . . . 89 . . . 6147 1 976 . 1 1 95 95 GLN CA C 13 55.192 0.122 . 1 . . . . 89 . . . 6147 1 977 . 1 1 95 95 GLN HA H 1 4.735 0.051 . 1 . . . . 89 . . . 6147 1 978 . 1 1 95 95 GLN C C 13 177.777 0.049 . 1 . . . . 89 . . . 6147 1 979 . 1 1 95 95 GLN CB C 13 30.716 0.141 . 1 . . . . 89 . . . 6147 1 980 . 1 1 95 95 GLN HB2 H 1 2.441 0.031 . 1 . . . . 89 . . . 6147 1 981 . 1 1 95 95 GLN HB3 H 1 2.197 0.031 . 1 . . . . 89 . . . 6147 1 982 . 1 1 95 95 GLN CG C 13 34.553 0.211 . 1 . . . . 89 . . . 6147 1 983 . 1 1 95 95 GLN HG2 H 1 3.261 0.080 . 1 . . . . 89 . . . 6147 1 984 . 1 1 95 95 GLN HG3 H 1 1.679 0.063 . 1 . . . . 89 . . . 6147 1 985 . 1 1 96 96 GLU H H 1 9.352 0.025 . 1 . . . . 90 . . . 6147 1 986 . 1 1 96 96 GLU N N 15 124.249 0.115 . 1 . . . . 90 . . . 6147 1 987 . 1 1 96 96 GLU CA C 13 58.983 0.073 . 1 . . . . 90 . . . 6147 1 988 . 1 1 96 96 GLU HA H 1 4.312 0.044 . 1 . . . . 90 . . . 6147 1 989 . 1 1 96 96 GLU C C 13 178.072 0.089 . 1 . . . . 90 . . . 6147 1 990 . 1 1 96 96 GLU CB C 13 29.926 0.087 . 1 . . . . 90 . . . 6147 1 991 . 1 1 96 96 GLU HB3 H 1 2.322 0.041 . 1 . . . . 90 . . . 6147 1 992 . 1 1 96 96 GLU CG C 13 36.754 0.158 . 1 . . . . 90 . . . 6147 1 993 . 1 1 96 96 GLU HG2 H 1 2.452 0.031 . 1 . . . . 90 . . . 6147 1 994 . 1 1 97 97 GLN H H 1 8.954 0.053 . 1 . . . . 91 . . . 6147 1 995 . 1 1 97 97 GLN N N 15 117.830 0.185 . 1 . . . . 91 . . . 6147 1 996 . 1 1 97 97 GLN CA C 13 57.373 0.078 . 1 . . . . 91 . . . 6147 1 997 . 1 1 97 97 GLN HA H 1 4.495 0.058 . 1 . . . . 91 . . . 6147 1 998 . 1 1 97 97 GLN C C 13 177.562 0.071 . 1 . . . . 91 . . . 6147 1 999 . 1 1 97 97 GLN CB C 13 27.932 0.278 . 1 . . . . 91 . . . 6147 1 1000 . 1 1 97 97 GLN HB2 H 1 2.085 0.026 . 1 . . . . 91 . . . 6147 1 1001 . 1 1 97 97 GLN HB3 H 1 2.540 0.060 . 1 . . . . 91 . . . 6147 1 1002 . 1 1 97 97 GLN CG C 13 34.507 0.115 . 1 . . . . 91 . . . 6147 1 1003 . 1 1 97 97 GLN HG3 H 1 2.515 0.055 . 1 . . . . 91 . . . 6147 1 1004 . 1 1 98 98 GLY H H 1 8.230 0.030 . 1 . . . . 92 . . . 6147 1 1005 . 1 1 98 98 GLY N N 15 108.316 0.158 . 1 . . . . 92 . . . 6147 1 1006 . 1 1 98 98 GLY CA C 13 45.727 0.071 . 1 . . . . 92 . . . 6147 1 1007 . 1 1 98 98 GLY HA2 H 1 4.402 0.005 . 1 . . . . 92 . . . 6147 1 1008 . 1 1 98 98 GLY HA3 H 1 4.357 0.031 . 1 . . . . 92 . . . 6147 1 1009 . 1 1 98 98 GLY C C 13 175.728 0.000 . 1 . . . . 92 . . . 6147 1 1010 . 1 1 99 99 MET H H 1 8.873 0.016 . 1 . . . . 93 . . . 6147 1 1011 . 1 1 99 99 MET N N 15 119.753 0.163 . 1 . . . . 93 . . . 6147 1 1012 . 1 1 99 99 MET CA C 13 56.453 0.065 . 1 . . . . 93 . . . 6147 1 1013 . 1 1 99 99 MET HA H 1 4.815 0.025 . 1 . . . . 93 . . . 6147 1 1014 . 1 1 99 99 MET C C 13 179.060 0.696 . 1 . . . . 93 . . . 6147 1 1015 . 1 1 99 99 MET CB C 13 32.643 0.150 . 1 . . . . 93 . . . 6147 1 1016 . 1 1 99 99 MET HB2 H 1 2.781 0.042 . 1 . . . . 93 . . . 6147 1 1017 . 1 1 99 99 MET HB3 H 1 2.215 0.035 . 1 . . . . 93 . . . 6147 1 1018 . 1 1 99 99 MET CG C 13 32.694 0.280 . 1 . . . . 93 . . . 6147 1 1019 . 1 1 99 99 MET HG2 H 1 2.446 0.033 . 1 . . . . 93 . . . 6147 1 1020 . 1 1 99 99 MET HG3 H 1 1.350 0.025 . 1 . . . . 93 . . . 6147 1 1021 . 1 1 100 100 GLU H H 1 9.139 0.031 . 1 . . . . 94 . . . 6147 1 1022 . 1 1 100 100 GLU N N 15 120.165 0.142 . 1 . . . . 94 . . . 6147 1 1023 . 1 1 100 100 GLU CA C 13 62.047 0.262 . 1 . . . . 94 . . . 6147 1 1024 . 1 1 100 100 GLU HA H 1 4.295 0.024 . 1 . . . . 94 . . . 6147 1 1025 . 1 1 100 100 GLU C C 13 179.723 0.093 . 1 . . . . 94 . . . 6147 1 1026 . 1 1 100 100 GLU CB C 13 29.002 0.103 . 1 . . . . 94 . . . 6147 1 1027 . 1 1 100 100 GLU HB2 H 1 2.053 0.036 . 1 . . . . 94 . . . 6147 1 1028 . 1 1 100 100 GLU HB3 H 1 1.307 0.026 . 1 . . . . 94 . . . 6147 1 1029 . 1 1 100 100 GLU CG C 13 37.451 0.187 . 1 . . . . 94 . . . 6147 1 1030 . 1 1 100 100 GLU HG2 H 1 2.629 0.028 . 1 . . . . 94 . . . 6147 1 1031 . 1 1 101 101 THR H H 1 8.704 0.018 . 1 . . . . 95 . . . 6147 1 1032 . 1 1 101 101 THR N N 15 116.422 0.179 . 1 . . . . 95 . . . 6147 1 1033 . 1 1 101 101 THR CA C 13 68.577 0.094 . 1 . . . . 95 . . . 6147 1 1034 . 1 1 101 101 THR HA H 1 4.172 0.049 . 1 . . . . 95 . . . 6147 1 1035 . 1 1 101 101 THR C C 13 177.079 0.022 . 1 . . . . 95 . . . 6147 1 1036 . 1 1 101 101 THR CB C 13 68.985 0.067 . 1 . . . . 95 . . . 6147 1 1037 . 1 1 101 101 THR HB H 1 4.010 0.046 . 1 . . . . 95 . . . 6147 1 1038 . 1 1 101 101 THR CG2 C 13 23.184 0.210 . 1 . . . . 95 . . . 6147 1 1039 . 1 1 101 101 THR HG21 H 1 1.209 0.035 . 1 . . . . 95 . . . 6147 1 1040 . 1 1 101 101 THR HG22 H 1 1.209 0.035 . 1 . . . . 95 . . . 6147 1 1041 . 1 1 101 101 THR HG23 H 1 1.209 0.035 . 1 . . . . 95 . . . 6147 1 1042 . 1 1 102 102 SER H H 1 8.447 0.023 . 1 . . . . 96 . . . 6147 1 1043 . 1 1 102 102 SER N N 15 118.733 0.404 . 1 . . . . 96 . . . 6147 1 1044 . 1 1 102 102 SER CA C 13 62.283 0.158 . 1 . . . . 96 . . . 6147 1 1045 . 1 1 102 102 SER HA H 1 4.328 0.028 . 1 . . . . 96 . . . 6147 1 1046 . 1 1 102 102 SER C C 13 178.899 0.066 . 1 . . . . 96 . . . 6147 1 1047 . 1 1 102 102 SER HB2 H 1 4.229 0.013 . 1 . . . . 96 . . . 6147 1 1048 . 1 1 103 103 GLU H H 1 8.616 0.038 . 1 . . . . 97 . . . 6147 1 1049 . 1 1 103 103 GLU N N 15 123.473 0.114 . 1 . . . . 97 . . . 6147 1 1050 . 1 1 103 103 GLU CA C 13 59.690 0.070 . 1 . . . . 97 . . . 6147 1 1051 . 1 1 103 103 GLU HA H 1 4.373 0.015 . 1 . . . . 97 . . . 6147 1 1052 . 1 1 103 103 GLU C C 13 180.623 0.077 . 1 . . . . 97 . . . 6147 1 1053 . 1 1 103 103 GLU CB C 13 30.316 0.352 . 1 . . . . 97 . . . 6147 1 1054 . 1 1 103 103 GLU HB2 H 1 2.104 0.045 . 1 . . . . 97 . . . 6147 1 1055 . 1 1 103 103 GLU HB3 H 1 2.376 0.034 . 1 . . . . 97 . . . 6147 1 1056 . 1 1 103 103 GLU CG C 13 37.244 0.219 . 1 . . . . 97 . . . 6147 1 1057 . 1 1 103 103 GLU HG2 H 1 2.684 0.013 . 1 . . . . 97 . . . 6147 1 1058 . 1 1 104 104 MET H H 1 8.746 0.049 . 1 . . . . 98 . . . 6147 1 1059 . 1 1 104 104 MET N N 15 121.362 0.200 . 1 . . . . 98 . . . 6147 1 1060 . 1 1 104 104 MET CA C 13 57.676 0.249 . 1 . . . . 98 . . . 6147 1 1061 . 1 1 104 104 MET HA H 1 4.557 0.065 . 1 . . . . 98 . . . 6147 1 1062 . 1 1 104 104 MET C C 13 178.638 0.098 . 1 . . . . 98 . . . 6147 1 1063 . 1 1 104 104 MET CB C 13 32.552 0.096 . 1 . . . . 98 . . . 6147 1 1064 . 1 1 104 104 MET HB2 H 1 2.433 0.052 . 1 . . . . 98 . . . 6147 1 1065 . 1 1 104 104 MET HB3 H 1 2.570 0.052 . 1 . . . . 98 . . . 6147 1 1066 . 1 1 104 104 MET CG C 13 33.092 0.000 . 1 . . . . 98 . . . 6147 1 1067 . 1 1 104 104 MET HG2 H 1 3.017 0.055 . 1 . . . . 98 . . . 6147 1 1068 . 1 1 105 105 LEU H H 1 9.010 0.028 . 1 . . . . 99 . . . 6147 1 1069 . 1 1 105 105 LEU N N 15 121.710 0.190 . 1 . . . . 99 . . . 6147 1 1070 . 1 1 105 105 LEU CA C 13 59.169 0.004 . 1 . . . . 99 . . . 6147 1 1071 . 1 1 105 105 LEU HA H 1 4.260 0.020 . 1 . . . . 99 . . . 6147 1 1072 . 1 1 105 105 LEU C C 13 179.646 0.096 . 1 . . . . 99 . . . 6147 1 1073 . 1 1 105 105 LEU CB C 13 43.214 0.872 . 1 . . . . 99 . . . 6147 1 1074 . 1 1 105 105 LEU HB2 H 1 2.029 0.055 . 1 . . . . 99 . . . 6147 1 1075 . 1 1 105 105 LEU CD1 C 13 25.168 0.057 . 1 . . . . 99 . . . 6147 1 1076 . 1 1 105 105 LEU HD11 H 1 1.138 0.037 . 1 . . . . 99 . . . 6147 1 1077 . 1 1 105 105 LEU HD12 H 1 1.138 0.037 . 1 . . . . 99 . . . 6147 1 1078 . 1 1 105 105 LEU HD13 H 1 1.138 0.037 . 1 . . . . 99 . . . 6147 1 1079 . 1 1 105 105 LEU CD2 C 13 25.911 0.091 . 1 . . . . 99 . . . 6147 1 1080 . 1 1 105 105 LEU HD21 H 1 1.116 0.008 . 1 . . . . 99 . . . 6147 1 1081 . 1 1 105 105 LEU HD22 H 1 1.116 0.008 . 1 . . . . 99 . . . 6147 1 1082 . 1 1 105 105 LEU HD23 H 1 1.116 0.008 . 1 . . . . 99 . . . 6147 1 1083 . 1 1 106 106 ALA H H 1 8.208 0.024 . 1 . . . . 100 . . . 6147 1 1084 . 1 1 106 106 ALA N N 15 121.670 0.245 . 1 . . . . 100 . . . 6147 1 1085 . 1 1 106 106 ALA CA C 13 56.029 0.174 . 1 . . . . 100 . . . 6147 1 1086 . 1 1 106 106 ALA HA H 1 4.407 0.044 . 1 . . . . 100 . . . 6147 1 1087 . 1 1 106 106 ALA C C 13 181.454 0.076 . 1 . . . . 100 . . . 6147 1 1088 . 1 1 106 106 ALA CB C 13 18.429 0.333 . 1 . . . . 100 . . . 6147 1 1089 . 1 1 106 106 ALA HB1 H 1 1.832 0.060 . 1 . . . . 100 . . . 6147 1 1090 . 1 1 106 106 ALA HB2 H 1 1.832 0.060 . 1 . . . . 100 . . . 6147 1 1091 . 1 1 106 106 ALA HB3 H 1 1.832 0.060 . 1 . . . . 100 . . . 6147 1 1092 . 1 1 107 107 LEU H H 1 8.147 0.026 . 1 . . . . 101 . . . 6147 1 1093 . 1 1 107 107 LEU N N 15 119.998 0.127 . 1 . . . . 101 . . . 6147 1 1094 . 1 1 107 107 LEU CA C 13 56.563 0.587 . 1 . . . . 101 . . . 6147 1 1095 . 1 1 107 107 LEU HA H 1 4.553 0.047 . 1 . . . . 101 . . . 6147 1 1096 . 1 1 107 107 LEU C C 13 181.879 0.109 . 1 . . . . 101 . . . 6147 1 1097 . 1 1 107 107 LEU CB C 13 42.935 0.126 . 1 . . . . 101 . . . 6147 1 1098 . 1 1 107 107 LEU HB2 H 1 1.981 0.054 . 1 . . . . 101 . . . 6147 1 1099 . 1 1 107 107 LEU CD1 C 13 26.232 0.249 . 1 . . . . 101 . . . 6147 1 1100 . 1 1 107 107 LEU HD11 H 1 1.378 0.025 . 1 . . . . 101 . . . 6147 1 1101 . 1 1 107 107 LEU HD12 H 1 1.378 0.025 . 1 . . . . 101 . . . 6147 1 1102 . 1 1 107 107 LEU HD13 H 1 1.378 0.025 . 1 . . . . 101 . . . 6147 1 1103 . 1 1 107 107 LEU CD2 C 13 24.627 0.182 . 1 . . . . 101 . . . 6147 1 1104 . 1 1 107 107 LEU HD21 H 1 1.166 0.022 . 1 . . . . 101 . . . 6147 1 1105 . 1 1 107 107 LEU HD22 H 1 1.166 0.022 . 1 . . . . 101 . . . 6147 1 1106 . 1 1 107 107 LEU HD23 H 1 1.166 0.022 . 1 . . . . 101 . . . 6147 1 1107 . 1 1 107 107 LEU HG H 1 2.371 0.022 . 1 . . . . 101 . . . 6147 1 1108 . 1 1 108 108 LEU H H 1 9.659 0.444 . 1 . . . . 102 . . . 6147 1 1109 . 1 1 108 108 LEU N N 15 127.019 0.138 . 1 . . . . 102 . . . 6147 1 1110 . 1 1 108 108 LEU CA C 13 60.336 0.816 . 1 . . . . 102 . . . 6147 1 1111 . 1 1 108 108 LEU HA H 1 4.012 0.069 . 1 . . . . 102 . . . 6147 1 1112 . 1 1 108 108 LEU C C 13 179.056 0.026 . 1 . . . . 102 . . . 6147 1 1113 . 1 1 108 108 LEU CB C 13 42.778 0.271 . 1 . . . . 102 . . . 6147 1 1114 . 1 1 108 108 LEU HB2 H 1 1.377 0.027 . 1 . . . . 102 . . . 6147 1 1115 . 1 1 108 108 LEU CG C 13 26.374 0.120 . 1 . . . . 102 . . . 6147 1 1116 . 1 1 108 108 LEU CD1 C 13 16.764 0.029 . 1 . . . . 102 . . . 6147 1 1117 . 1 1 108 108 LEU HD11 H 1 1.214 0.001 . 1 . . . . 102 . . . 6147 1 1118 . 1 1 108 108 LEU HD12 H 1 1.214 0.001 . 1 . . . . 102 . . . 6147 1 1119 . 1 1 108 108 LEU HD13 H 1 1.214 0.001 . 1 . . . . 102 . . . 6147 1 1120 . 1 1 108 108 LEU CD2 C 13 24.610 0.200 . 1 . . . . 102 . . . 6147 1 1121 . 1 1 108 108 LEU HG H 1 1.244 0.034 . 1 . . . . 102 . . . 6147 1 1122 . 1 1 109 109 HIS H H 1 8.417 0.017 . 1 . . . . 103 . . . 6147 1 1123 . 1 1 109 109 HIS N N 15 118.781 0.200 . 1 . . . . 103 . . . 6147 1 1124 . 1 1 109 109 HIS CA C 13 61.791 0.083 . 1 . . . . 103 . . . 6147 1 1125 . 1 1 109 109 HIS HA H 1 4.301 0.028 . 1 . . . . 103 . . . 6147 1 1126 . 1 1 109 109 HIS C C 13 179.141 0.140 . 1 . . . . 103 . . . 6147 1 1127 . 1 1 109 109 HIS CB C 13 30.475 0.492 . 1 . . . . 103 . . . 6147 1 1128 . 1 1 109 109 HIS HB2 H 1 3.530 0.027 . 1 . . . . 103 . . . 6147 1 1129 . 1 1 109 109 HIS HB3 H 1 3.224 0.055 . 1 . . . . 103 . . . 6147 1 1130 . 1 1 109 109 HIS HD1 H 1 12.952 0.054 . 1 . . . . 103 . . . 6147 1 1131 . 1 1 109 109 HIS HD2 H 1 7.100 0.097 . 1 . . . . 103 . . . 6147 1 1132 . 1 1 110 110 ILE H H 1 8.302 0.021 . 1 . . . . 104 . . . 6147 1 1133 . 1 1 110 110 ILE N N 15 117.793 0.182 . 1 . . . . 104 . . . 6147 1 1134 . 1 1 110 110 ILE CA C 13 65.634 0.222 . 1 . . . . 104 . . . 6147 1 1135 . 1 1 110 110 ILE HA H 1 4.178 0.055 . 1 . . . . 104 . . . 6147 1 1136 . 1 1 110 110 ILE C C 13 180.222 0.031 . 1 . . . . 104 . . . 6147 1 1137 . 1 1 110 110 ILE CB C 13 39.276 0.147 . 1 . . . . 104 . . . 6147 1 1138 . 1 1 110 110 ILE HB H 1 2.237 0.043 . 1 . . . . 104 . . . 6147 1 1139 . 1 1 110 110 ILE CG2 C 13 17.655 0.147 . 1 . . . . 104 . . . 6147 1 1140 . 1 1 110 110 ILE HG21 H 1 1.160 0.016 . 1 . . . . 104 . . . 6147 1 1141 . 1 1 110 110 ILE HG22 H 1 1.160 0.016 . 1 . . . . 104 . . . 6147 1 1142 . 1 1 110 110 ILE HG23 H 1 1.160 0.016 . 1 . . . . 104 . . . 6147 1 1143 . 1 1 110 110 ILE CG1 C 13 18.556 0.121 . 1 . . . . 104 . . . 6147 1 1144 . 1 1 110 110 ILE HG12 H 1 1.322 0.028 . 1 . . . . 104 . . . 6147 1 1145 . 1 1 110 110 ILE HG13 H 1 1.724 0.032 . 1 . . . . 104 . . . 6147 1 1146 . 1 1 110 110 ILE CD1 C 13 14.311 0.279 . 1 . . . . 104 . . . 6147 1 1147 . 1 1 110 110 ILE HD11 H 1 1.138 0.012 . 1 . . . . 104 . . . 6147 1 1148 . 1 1 110 110 ILE HD12 H 1 1.138 0.012 . 1 . . . . 104 . . . 6147 1 1149 . 1 1 110 110 ILE HD13 H 1 1.138 0.012 . 1 . . . . 104 . . . 6147 1 1150 . 1 1 111 111 THR H H 1 8.789 0.042 . 1 . . . . 105 . . . 6147 1 1151 . 1 1 111 111 THR N N 15 120.539 0.117 . 1 . . . . 105 . . . 6147 1 1152 . 1 1 111 111 THR CA C 13 67.940 0.115 . 1 . . . . 105 . . . 6147 1 1153 . 1 1 111 111 THR HA H 1 4.223 0.027 . 1 . . . . 105 . . . 6147 1 1154 . 1 1 111 111 THR C C 13 176.461 0.063 . 1 . . . . 105 . . . 6147 1 1155 . 1 1 111 111 THR CB C 13 69.497 0.139 . 1 . . . . 105 . . . 6147 1 1156 . 1 1 111 111 THR HB H 1 4.524 0.027 . 1 . . . . 105 . . . 6147 1 1157 . 1 1 111 111 THR CG2 C 13 23.801 0.314 . 1 . . . . 105 . . . 6147 1 1158 . 1 1 111 111 THR HG21 H 1 1.643 0.054 . 1 . . . . 105 . . . 6147 1 1159 . 1 1 111 111 THR HG22 H 1 1.643 0.054 . 1 . . . . 105 . . . 6147 1 1160 . 1 1 111 111 THR HG23 H 1 1.643 0.054 . 1 . . . . 105 . . . 6147 1 1161 . 1 1 112 112 ARG H H 1 9.220 0.024 . 1 . . . . 106 . . . 6147 1 1162 . 1 1 112 112 ARG N N 15 125.574 0.119 . 1 . . . . 106 . . . 6147 1 1163 . 1 1 112 112 ARG CA C 13 60.507 0.348 . 1 . . . . 106 . . . 6147 1 1164 . 1 1 112 112 ARG HA H 1 4.160 0.038 . 1 . . . . 106 . . . 6147 1 1165 . 1 1 112 112 ARG C C 13 179.168 0.094 . 1 . . . . 106 . . . 6147 1 1166 . 1 1 112 112 ARG CB C 13 31.307 0.504 . 1 . . . . 106 . . . 6147 1 1167 . 1 1 112 112 ARG HB2 H 1 2.733 0.034 . 1 . . . . 106 . . . 6147 1 1168 . 1 1 112 112 ARG HB3 H 1 2.639 0.021 . 1 . . . . 106 . . . 6147 1 1169 . 1 1 112 112 ARG CG C 13 31.064 0.158 . 1 . . . . 106 . . . 6147 1 1170 . 1 1 112 112 ARG HG2 H 1 2.165 0.084 . 1 . . . . 106 . . . 6147 1 1171 . 1 1 112 112 ARG HG3 H 1 1.108 0.035 . 1 . . . . 106 . . . 6147 1 1172 . 1 1 112 112 ARG CD C 13 42.983 0.219 . 1 . . . . 106 . . . 6147 1 1173 . 1 1 112 112 ARG HD2 H 1 3.141 0.050 . 1 . . . . 106 . . . 6147 1 1174 . 1 1 112 112 ARG HD3 H 1 3.503 0.022 . 1 . . . . 106 . . . 6147 1 1175 . 1 1 113 113 ASP H H 1 8.423 0.042 . 1 . . . . 107 . . . 6147 1 1176 . 1 1 113 113 ASP N N 15 119.425 0.235 . 1 . . . . 107 . . . 6147 1 1177 . 1 1 113 113 ASP CA C 13 58.171 0.032 . 1 . . . . 107 . . . 6147 1 1178 . 1 1 113 113 ASP HA H 1 4.619 0.054 . 1 . . . . 107 . . . 6147 1 1179 . 1 1 113 113 ASP C C 13 179.746 0.041 . 1 . . . . 107 . . . 6147 1 1180 . 1 1 113 113 ASP CB C 13 40.271 0.081 . 1 . . . . 107 . . . 6147 1 1181 . 1 1 113 113 ASP HB2 H 1 2.954 0.061 . 1 . . . . 107 . . . 6147 1 1182 . 1 1 114 114 ALA H H 1 8.072 0.046 . 1 . . . . 108 . . . 6147 1 1183 . 1 1 114 114 ALA N N 15 124.189 0.113 . 1 . . . . 108 . . . 6147 1 1184 . 1 1 114 114 ALA CA C 13 55.379 0.246 . 1 . . . . 108 . . . 6147 1 1185 . 1 1 114 114 ALA HA H 1 4.457 0.025 . 1 . . . . 108 . . . 6147 1 1186 . 1 1 114 114 ALA C C 13 181.637 0.068 . 1 . . . . 108 . . . 6147 1 1187 . 1 1 114 114 ALA CB C 13 18.838 0.084 . 1 . . . . 108 . . . 6147 1 1188 . 1 1 114 114 ALA HB1 H 1 1.822 0.066 . 1 . . . . 108 . . . 6147 1 1189 . 1 1 114 114 ALA HB2 H 1 1.822 0.066 . 1 . . . . 108 . . . 6147 1 1190 . 1 1 114 114 ALA HB3 H 1 1.822 0.066 . 1 . . . . 108 . . . 6147 1 1191 . 1 1 115 115 TYR H H 1 8.793 0.029 . 1 . . . . 109 . . . 6147 1 1192 . 1 1 115 115 TYR N N 15 118.786 0.159 . 1 . . . . 109 . . . 6147 1 1193 . 1 1 115 115 TYR CA C 13 63.364 0.076 . 1 . . . . 109 . . . 6147 1 1194 . 1 1 115 115 TYR HA H 1 4.209 0.016 . 1 . . . . 109 . . . 6147 1 1195 . 1 1 115 115 TYR C C 13 179.613 0.077 . 1 . . . . 109 . . . 6147 1 1196 . 1 1 115 115 TYR CB C 13 39.680 0.380 . 1 . . . . 109 . . . 6147 1 1197 . 1 1 115 115 TYR HB2 H 1 3.263 0.019 . 1 . . . . 109 . . . 6147 1 1198 . 1 1 115 115 TYR HB3 H 1 3.030 0.027 . 1 . . . . 109 . . . 6147 1 1199 . 1 1 115 115 TYR HD1 H 1 7.098 0.052 . 1 . . . . 109 . . . 6147 1 1200 . 1 1 116 116 ARG H H 1 9.080 0.028 . 1 . . . . 110 . . . 6147 1 1201 . 1 1 116 116 ARG N N 15 122.451 0.199 . 1 . . . . 110 . . . 6147 1 1202 . 1 1 116 116 ARG CA C 13 59.570 0.200 . 1 . . . . 110 . . . 6147 1 1203 . 1 1 116 116 ARG HA H 1 4.391 0.054 . 1 . . . . 110 . . . 6147 1 1204 . 1 1 116 116 ARG C C 13 178.997 0.110 . 1 . . . . 110 . . . 6147 1 1205 . 1 1 116 116 ARG CB C 13 30.225 0.335 . 1 . . . . 110 . . . 6147 1 1206 . 1 1 116 116 ARG HB2 H 1 2.527 0.000 . 1 . . . . 110 . . . 6147 1 1207 . 1 1 116 116 ARG HB3 H 1 2.231 0.026 . 1 . . . . 110 . . . 6147 1 1208 . 1 1 116 116 ARG CG C 13 34.562 0.169 . 1 . . . . 110 . . . 6147 1 1209 . 1 1 116 116 ARG HG2 H 1 2.609 0.042 . 1 . . . . 110 . . . 6147 1 1210 . 1 1 116 116 ARG HG3 H 1 0.421 0.027 . 1 . . . . 110 . . . 6147 1 1211 . 1 1 116 116 ARG CD C 13 44.071 0.152 . 1 . . . . 110 . . . 6147 1 1212 . 1 1 116 116 ARG HD2 H 1 3.408 0.032 . 1 . . . . 110 . . . 6147 1 1213 . 1 1 116 116 ARG HD3 H 1 3.187 0.022 . 1 . . . . 110 . . . 6147 1 1214 . 1 1 117 117 SER H H 1 7.920 0.026 . 1 . . . . 111 . . . 6147 1 1215 . 1 1 117 117 SER N N 15 113.446 0.173 . 1 . . . . 111 . . . 6147 1 1216 . 1 1 117 117 SER CA C 13 60.267 0.067 . 1 . . . . 111 . . . 6147 1 1217 . 1 1 117 117 SER HA H 1 4.674 0.023 . 1 . . . . 111 . . . 6147 1 1218 . 1 1 117 117 SER C C 13 175.735 0.000 . 1 . . . . 111 . . . 6147 1 1219 . 1 1 117 117 SER CB C 13 63.955 0.050 . 1 . . . . 111 . . . 6147 1 1220 . 1 1 117 117 SER HB2 H 1 4.244 0.022 . 1 . . . . 111 . . . 6147 1 1221 . 1 1 118 118 TRP H H 1 7.841 0.016 . 1 . . . . 112 . . . 6147 1 1222 . 1 1 118 118 TRP N N 15 123.833 0.113 . 1 . . . . 112 . . . 6147 1 1223 . 1 1 118 118 TRP CA C 13 60.626 0.139 . 1 . . . . 112 . . . 6147 1 1224 . 1 1 118 118 TRP HA H 1 4.447 0.023 . 1 . . . . 112 . . . 6147 1 1225 . 1 1 118 118 TRP C C 13 177.271 0.035 . 1 . . . . 112 . . . 6147 1 1226 . 1 1 118 118 TRP CB C 13 29.749 0.078 . 1 . . . . 112 . . . 6147 1 1227 . 1 1 118 118 TRP HB2 H 1 3.402 0.030 . 1 . . . . 112 . . . 6147 1 1228 . 1 1 118 118 TRP HB3 H 1 3.537 0.033 . 1 . . . . 112 . . . 6147 1 1229 . 1 1 118 118 TRP HD1 H 1 7.337 0.072 . 1 . . . . 112 . . . 6147 1 1230 . 1 1 118 118 TRP NE1 N 15 129.862 0.026 . 1 . . . . 112 . . . 6147 1 1231 . 1 1 118 118 TRP HE1 H 1 10.358 0.088 . 1 . . . . 112 . . . 6147 1 1232 . 1 1 119 119 THR H H 1 7.629 0.020 . 1 . . . . 113 . . . 6147 1 1233 . 1 1 119 119 THR N N 15 113.846 0.129 . 1 . . . . 113 . . . 6147 1 1234 . 1 1 119 119 THR CA C 13 61.586 0.051 . 1 . . . . 113 . . . 6147 1 1235 . 1 1 119 119 THR HA H 1 4.339 0.061 . 1 . . . . 113 . . . 6147 1 1236 . 1 1 119 119 THR C C 13 174.392 0.953 . 1 . . . . 113 . . . 6147 1 1237 . 1 1 119 119 THR CB C 13 70.932 0.090 . 1 . . . . 113 . . . 6147 1 1238 . 1 1 119 119 THR HB H 1 4.414 0.037 . 1 . . . . 113 . . . 6147 1 1239 . 1 1 119 119 THR CG2 C 13 22.253 0.212 . 1 . . . . 113 . . . 6147 1 1240 . 1 1 119 119 THR HG21 H 1 1.492 0.036 . 1 . . . . 113 . . . 6147 1 1241 . 1 1 119 119 THR HG22 H 1 1.492 0.036 . 1 . . . . 113 . . . 6147 1 1242 . 1 1 119 119 THR HG23 H 1 1.492 0.036 . 1 . . . . 113 . . . 6147 1 1243 . 1 1 120 120 ASN H H 1 7.501 0.823 . 1 . . . . 114 . . . 6147 1 1244 . 1 1 120 120 ASN N N 15 126.524 0.152 . 1 . . . . 114 . . . 6147 1 1245 . 1 1 120 120 ASN CA C 13 55.431 0.082 . 1 . . . . 114 . . . 6147 1 1246 . 1 1 120 120 ASN HA H 1 4.493 0.022 . 1 . . . . 114 . . . 6147 1 1247 . 1 1 120 120 ASN C C 13 180.636 0.000 . 1 . . . . 114 . . . 6147 1 1248 . 1 1 120 120 ASN CB C 13 40.530 0.106 . 1 . . . . 114 . . . 6147 1 1249 . 1 1 120 120 ASN HB3 H 1 2.898 0.016 . 1 . . . . 114 . . . 6147 1 1250 . 1 1 120 120 ASN CG C 13 179.445 0.000 . 1 . . . . 114 . . . 6147 1 stop_ save_