data_16905 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16905 _Entry.Title ; Sma0114 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-29 _Entry.Accession_date 2010-04-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Response regulator' _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 Sarah Sheftic . . . 16905 2 Dan Gage . . . 16905 3 Andrei Alexandrescu . . . 16905 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Connecticut' . 16905 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16905 coupling_constants 1 16905 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 478 16905 '15N chemical shifts' 119 16905 '1H chemical shifts' 660 16905 'coupling constants' 78 16905 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 2 . . 2011-03-24 2010-04-29 update BMRB 'update entry citation' 16905 1 . . 2010-10-27 2010-04-29 original author 'original release' 16905 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LPM 'BMRB Entry Tracking System' 16905 stop_ save_ ############### # Citations # ############### save_Sma0114_peaklist _Citation.Sf_category citations _Citation.Sf_framecode Sma0114_peaklist _Citation.Entry_ID 16905 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20936511 _Citation.Full_citation . _Citation.Title 'NMR assignments for the Sinorhizobium meliloti response regulator Sma0114.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 55 _Citation.Page_last 58 _Citation.Year 2011 _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 Sarah Sheftic . R. . 16905 1 2 Preston Garcia . P. . 16905 1 3 Victoria Robinson . L. . 16905 1 4 Daniel Gage . J. . 16905 1 5 Andrei Alexandrescu . T. . 16905 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16905 _Assembly.ID 1 _Assembly.Name 'Sma0114, response regulator' _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'response regulator' 1 $Sma0114 A . yes native no no . . . 16905 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sma0114 _Entity.Sf_category entity _Entity.Sf_framecode Sma0114 _Entity.Entry_ID 16905 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sma0114 _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 ; GSHMTERRLRVLVVEDESMI AMLIEDTLCELGHEVAATAS RMQEALDIARKGQFDIAIID VNLDGEPSYPVADILAERNV PFIFATGYGSKGLDTRYSNI PLLTKPFLDSELEAVLVQIS KEV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 BMRB 19286 . entity_1 . . . . . 100.00 123 100.00 100.00 1.22e-82 . . . . 16905 1 2 no PDB 2LPM . "Chemical Shift And Structure Assignments For Sma0114" . . . . . 100.00 123 100.00 100.00 1.22e-82 . . . . 16905 1 3 no PDB 2M98 . "Nmr Structure Of Bef3 Activated Sma0114" . . . . . 100.00 123 100.00 100.00 1.22e-82 . . . . 16905 1 4 no EMBL CCM71308 . "two-component response regulator [Sinorhizobium meliloti Rm41]" . . . . . 97.56 120 100.00 100.00 9.50e-80 . . . . 16905 1 5 no EMBL CDH82688 . "two-component response regulator [Sinorhizobium meliloti RU11/001]" . . . . . 97.56 120 100.00 100.00 9.50e-80 . . . . 16905 1 6 no GB AAK64716 . "two-component response regulator [Sinorhizobium meliloti 1021]" . . . . . 97.56 120 100.00 100.00 9.50e-80 . . . . 16905 1 7 no GB AEG06710 . "response regulator receiver protein [Sinorhizobium meliloti BL225C]" . . . . . 97.56 120 100.00 100.00 9.50e-80 . . . . 16905 1 8 no GB AEG57042 . "response regulator receiver protein [Sinorhizobium meliloti AK83]" . . . . . 97.56 120 100.00 100.00 9.50e-80 . . . . 16905 1 9 no GB AEH82764 . "two-component response regulator [Sinorhizobium meliloti SM11]" . . . . . 97.56 120 100.00 100.00 9.50e-80 . . . . 16905 1 10 no GB AGG69741 . "two-component response regulator [Sinorhizobium meliloti 2011]" . . . . . 97.56 120 100.00 100.00 9.50e-80 . . . . 16905 1 11 no REF NP_435304 . "two-component response regulator [Sinorhizobium meliloti 1021]" . . . . . 97.56 120 100.00 100.00 9.50e-80 . . . . 16905 1 12 no REF WP_010967059 . "hypothetical protein [Sinorhizobium meliloti]" . . . . . 97.56 120 100.00 100.00 9.50e-80 . . . . 16905 1 13 no REF WP_033048070 . "chemotaxis protein CheY [Sinorhizobium meliloti]" . . . . . 97.56 120 98.33 98.33 5.00e-78 . . . . 16905 1 14 no REF WP_046066705 . "chemotaxis protein CheY [Sinorhizobium meliloti]" . . . . . 97.56 120 99.17 99.17 7.24e-79 . . . . 16905 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Response Regulator' 16905 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 . GLY . 16905 1 2 . SER . 16905 1 3 . HIS . 16905 1 4 . MET . 16905 1 5 . THR . 16905 1 6 . GLU . 16905 1 7 . ARG . 16905 1 8 . ARG . 16905 1 9 . LEU . 16905 1 10 . ARG . 16905 1 11 . VAL . 16905 1 12 . LEU . 16905 1 13 . VAL . 16905 1 14 . VAL . 16905 1 15 . GLU . 16905 1 16 . ASP . 16905 1 17 . GLU . 16905 1 18 . SER . 16905 1 19 . MET . 16905 1 20 . ILE . 16905 1 21 . ALA . 16905 1 22 . MET . 16905 1 23 . LEU . 16905 1 24 . ILE . 16905 1 25 . GLU . 16905 1 26 . ASP . 16905 1 27 . THR . 16905 1 28 . LEU . 16905 1 29 . CYS . 16905 1 30 . GLU . 16905 1 31 . LEU . 16905 1 32 . GLY . 16905 1 33 . HIS . 16905 1 34 . GLU . 16905 1 35 . VAL . 16905 1 36 . ALA . 16905 1 37 . ALA . 16905 1 38 . THR . 16905 1 39 . ALA . 16905 1 40 . SER . 16905 1 41 . ARG . 16905 1 42 . MET . 16905 1 43 . GLN . 16905 1 44 . GLU . 16905 1 45 . ALA . 16905 1 46 . LEU . 16905 1 47 . ASP . 16905 1 48 . ILE . 16905 1 49 . ALA . 16905 1 50 . ARG . 16905 1 51 . LYS . 16905 1 52 . GLY . 16905 1 53 . GLN . 16905 1 54 . PHE . 16905 1 55 . ASP . 16905 1 56 . ILE . 16905 1 57 . ALA . 16905 1 58 . ILE . 16905 1 59 . ILE . 16905 1 60 . ASP . 16905 1 61 . VAL . 16905 1 62 . ASN . 16905 1 63 . LEU . 16905 1 64 . ASP . 16905 1 65 . GLY . 16905 1 66 . GLU . 16905 1 67 . PRO . 16905 1 68 . SER . 16905 1 69 . TYR . 16905 1 70 . PRO . 16905 1 71 . VAL . 16905 1 72 . ALA . 16905 1 73 . ASP . 16905 1 74 . ILE . 16905 1 75 . LEU . 16905 1 76 . ALA . 16905 1 77 . GLU . 16905 1 78 . ARG . 16905 1 79 . ASN . 16905 1 80 . VAL . 16905 1 81 . PRO . 16905 1 82 . PHE . 16905 1 83 . ILE . 16905 1 84 . PHE . 16905 1 85 . ALA . 16905 1 86 . THR . 16905 1 87 . GLY . 16905 1 88 . TYR . 16905 1 89 . GLY . 16905 1 90 . SER . 16905 1 91 . LYS . 16905 1 92 . GLY . 16905 1 93 . LEU . 16905 1 94 . ASP . 16905 1 95 . THR . 16905 1 96 . ARG . 16905 1 97 . TYR . 16905 1 98 . SER . 16905 1 99 . ASN . 16905 1 100 . ILE . 16905 1 101 . PRO . 16905 1 102 . LEU . 16905 1 103 . LEU . 16905 1 104 . THR . 16905 1 105 . LYS . 16905 1 106 . PRO . 16905 1 107 . PHE . 16905 1 108 . LEU . 16905 1 109 . ASP . 16905 1 110 . SER . 16905 1 111 . GLU . 16905 1 112 . LEU . 16905 1 113 . GLU . 16905 1 114 . ALA . 16905 1 115 . VAL . 16905 1 116 . LEU . 16905 1 117 . VAL . 16905 1 118 . GLN . 16905 1 119 . ILE . 16905 1 120 . SER . 16905 1 121 . LYS . 16905 1 122 . GLU . 16905 1 123 . VAL . 16905 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 . GLY 1 1 16905 1 . SER 2 2 16905 1 . HIS 3 3 16905 1 . MET 4 4 16905 1 . THR 5 5 16905 1 . GLU 6 6 16905 1 . ARG 7 7 16905 1 . ARG 8 8 16905 1 . LEU 9 9 16905 1 . ARG 10 10 16905 1 . VAL 11 11 16905 1 . LEU 12 12 16905 1 . VAL 13 13 16905 1 . VAL 14 14 16905 1 . GLU 15 15 16905 1 . ASP 16 16 16905 1 . GLU 17 17 16905 1 . SER 18 18 16905 1 . MET 19 19 16905 1 . ILE 20 20 16905 1 . ALA 21 21 16905 1 . MET 22 22 16905 1 . LEU 23 23 16905 1 . ILE 24 24 16905 1 . GLU 25 25 16905 1 . ASP 26 26 16905 1 . THR 27 27 16905 1 . LEU 28 28 16905 1 . CYS 29 29 16905 1 . GLU 30 30 16905 1 . LEU 31 31 16905 1 . GLY 32 32 16905 1 . HIS 33 33 16905 1 . GLU 34 34 16905 1 . VAL 35 35 16905 1 . ALA 36 36 16905 1 . ALA 37 37 16905 1 . THR 38 38 16905 1 . ALA 39 39 16905 1 . SER 40 40 16905 1 . ARG 41 41 16905 1 . MET 42 42 16905 1 . GLN 43 43 16905 1 . GLU 44 44 16905 1 . ALA 45 45 16905 1 . LEU 46 46 16905 1 . ASP 47 47 16905 1 . ILE 48 48 16905 1 . ALA 49 49 16905 1 . ARG 50 50 16905 1 . LYS 51 51 16905 1 . GLY 52 52 16905 1 . GLN 53 53 16905 1 . PHE 54 54 16905 1 . ASP 55 55 16905 1 . ILE 56 56 16905 1 . ALA 57 57 16905 1 . ILE 58 58 16905 1 . ILE 59 59 16905 1 . ASP 60 60 16905 1 . VAL 61 61 16905 1 . ASN 62 62 16905 1 . LEU 63 63 16905 1 . ASP 64 64 16905 1 . GLY 65 65 16905 1 . GLU 66 66 16905 1 . PRO 67 67 16905 1 . SER 68 68 16905 1 . TYR 69 69 16905 1 . PRO 70 70 16905 1 . VAL 71 71 16905 1 . ALA 72 72 16905 1 . ASP 73 73 16905 1 . ILE 74 74 16905 1 . LEU 75 75 16905 1 . ALA 76 76 16905 1 . GLU 77 77 16905 1 . ARG 78 78 16905 1 . ASN 79 79 16905 1 . VAL 80 80 16905 1 . PRO 81 81 16905 1 . PHE 82 82 16905 1 . ILE 83 83 16905 1 . PHE 84 84 16905 1 . ALA 85 85 16905 1 . THR 86 86 16905 1 . GLY 87 87 16905 1 . TYR 88 88 16905 1 . GLY 89 89 16905 1 . SER 90 90 16905 1 . LYS 91 91 16905 1 . GLY 92 92 16905 1 . LEU 93 93 16905 1 . ASP 94 94 16905 1 . THR 95 95 16905 1 . ARG 96 96 16905 1 . TYR 97 97 16905 1 . SER 98 98 16905 1 . ASN 99 99 16905 1 . ILE 100 100 16905 1 . PRO 101 101 16905 1 . LEU 102 102 16905 1 . LEU 103 103 16905 1 . THR 104 104 16905 1 . LYS 105 105 16905 1 . PRO 106 106 16905 1 . PHE 107 107 16905 1 . LEU 108 108 16905 1 . ASP 109 109 16905 1 . SER 110 110 16905 1 . GLU 111 111 16905 1 . LEU 112 112 16905 1 . GLU 113 113 16905 1 . ALA 114 114 16905 1 . VAL 115 115 16905 1 . LEU 116 116 16905 1 . VAL 117 117 16905 1 . GLN 118 118 16905 1 . ILE 119 119 16905 1 . SER 120 120 16905 1 . LYS 121 121 16905 1 . GLU 122 122 16905 1 . VAL 123 123 16905 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 16905 _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 $Sma0114 . 382 organism . 'Sinorhizobium meliloti' 'Sinorhizobium meliloti' . . Bacteria . Sinorhizobium meliloti . . . . . . . . . . . . . . . . . . . . . 16905 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 16905 _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 $Sma0114 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28(+) . . . . . . 16905 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16905 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 Sma114 '[U-100% 15N]' . . 1 $Sma0114 . . 500 . . uM . . . . 16905 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16905 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16905 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16905 1 5 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16905 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16905 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 Sma114 '[U-100% 13C; U-100% 15N]' . . 1 $Sma0114 . . 500 . . uM . . . . 16905 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16905 2 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16905 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16905 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16905 _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 6.0 . pH 16905 1 pressure 1 . atm 16905 1 temperature 310 . K 16905 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 16905 _Software.ID 1 _Software.Name FELIX _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 16905 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16905 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16905 _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_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16905 _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 spectrometer_1 Varian INOVA . 600 . . . 16905 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 16905 _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 '2D 1H-15N HSQC' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16905 1 2 '3D HNCACB' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16905 1 3 '3D HNCO' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16905 1 4 '3D HN(CO)CA' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16905 1 5 '3D HNCA' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16905 1 6 '3D HN(CA)CO' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16905 1 7 'HSQC TOCSY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16905 1 8 '3D HCCH-TOCSY' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16905 1 9 '3D HNHB' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16905 1 10 '3D HNHA' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16905 1 11 '2D 1H-1H TOCSY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16905 1 12 '3D 1H-15N NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16905 1 13 '2D DQF-COSY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16905 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16905 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'referenced to DSS for proton and IUPAC for other nuclei' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 16905 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 16905 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 16905 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16905 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 16905 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 HIS HD2 H 1 7.1700 0.05 . 1 . . . . 3 HIS HD2 . 16905 1 2 . 1 1 3 3 HIS HE1 H 1 8.3200 0.05 . 1 . . . . 3 HIS HE1 . 16905 1 3 . 1 1 3 3 HIS C C 13 174.66 0.10 . 1 . . . . 3 HIS C . 16905 1 4 . 1 1 3 3 HIS CD2 C 13 119.76 0.55 . 1 . . . . 3 HIS CD2 . 16905 1 5 . 1 1 3 3 HIS CE1 C 13 136.71 0.55 . 1 . . . . 3 HIS CE1 . 16905 1 6 . 1 1 4 4 MET H H 1 8.4413 0.01 . 1 . . . . 4 MET H . 16905 1 7 . 1 1 4 4 MET HA H 1 4.7803 0.10 . 1 . . . . 4 MET HA . 16905 1 8 . 1 1 4 4 MET HG2 H 1 2.4800 0.10 . 2 . . . . 4 MET HG2 . 16905 1 9 . 1 1 4 4 MET C C 13 176.14 0.10 . 1 . . . . 4 MET C . 16905 1 10 . 1 1 4 4 MET CA C 13 55.940 0.60 . 1 . . . . 4 MET CA . 16905 1 11 . 1 1 4 4 MET CB C 13 33.440 0.60 . 1 . . . . 4 MET CB . 16905 1 12 . 1 1 4 4 MET N N 15 121.52 0.15 . 1 . . . . 4 MET N . 16905 1 13 . 1 1 5 5 THR H H 1 8.1003 0.01 . 1 . . . . 5 THR H . 16905 1 14 . 1 1 5 5 THR HA H 1 4.7703 0.10 . 1 . . . . 5 THR HA . 16905 1 15 . 1 1 5 5 THR HB H 1 4.2400 0.10 . 1 . . . . 5 THR HB . 16905 1 16 . 1 1 5 5 THR HG21 H 1 1.1600 0.10 . 1 . . . . 5 THR MG . 16905 1 17 . 1 1 5 5 THR HG22 H 1 1.1600 0.10 . 1 . . . . 5 THR MG . 16905 1 18 . 1 1 5 5 THR HG23 H 1 1.1600 0.10 . 1 . . . . 5 THR MG . 16905 1 19 . 1 1 5 5 THR C C 13 174.30 0.10 . 1 . . . . 5 THR C . 16905 1 20 . 1 1 5 5 THR CA C 13 62.190 0.60 . 1 . . . . 5 THR CA . 16905 1 21 . 1 1 5 5 THR CB C 13 69.690 0.60 . 1 . . . . 5 THR CB . 16905 1 22 . 1 1 5 5 THR CG2 C 13 21.180 0.60 . 1 . . . . 5 THR CG2 . 16905 1 23 . 1 1 5 5 THR N N 15 115.31 0.15 . 1 . . . . 5 THR N . 16905 1 24 . 1 1 6 6 GLU H H 1 8.4343 0.01 . 1 . . . . 6 GLU H . 16905 1 25 . 1 1 6 6 GLU HA H 1 4.6703 0.10 . 1 . . . . 6 GLU HA . 16905 1 26 . 1 1 6 6 GLU HB2 H 1 2.3300 0.10 . 1 . . . . 6 GLU HB2 . 16905 1 27 . 1 1 6 6 GLU HB3 H 1 2.0100 0.10 . 1 . . . . 6 GLU HB3 . 16905 1 28 . 1 1 6 6 GLU C C 13 176.06 0.10 . 1 . . . . 6 GLU C . 16905 1 29 . 1 1 6 6 GLU CA C 13 57.190 0.60 . 1 . . . . 6 GLU CA . 16905 1 30 . 1 1 6 6 GLU CB C 13 30.310 0.60 . 1 . . . . 6 GLU CB . 16905 1 31 . 1 1 6 6 GLU CG C 13 36.180 0.60 . 1 . . . . 6 GLU CG . 16905 1 32 . 1 1 6 6 GLU N N 15 123.61 0.15 . 1 . . . . 6 GLU N . 16905 1 33 . 1 1 7 7 ARG H H 1 8.0443 0.01 . 1 . . . . 7 ARG H . 16905 1 34 . 1 1 7 7 ARG HA H 1 4.6403 0.10 . 1 . . . . 7 ARG HA . 16905 1 35 . 1 1 7 7 ARG HB2 H 1 1.5600 0.10 . 2 . . . . 7 ARG HB2 . 16905 1 36 . 1 1 7 7 ARG HB3 H 1 1.8200 0.10 . 2 . . . . 7 ARG HB3 . 16905 1 37 . 1 1 7 7 ARG HD2 H 1 3.1400 0.10 . 2 . . . . 7 ARG HD2 . 16905 1 38 . 1 1 7 7 ARG C C 13 174.61 0.10 . 1 . . . . 7 ARG C . 16905 1 39 . 1 1 7 7 ARG CA C 13 55.870 0.60 . 1 . . . . 7 ARG CA . 16905 1 40 . 1 1 7 7 ARG CB C 13 30.800 0.60 . 1 . . . . 7 ARG CB . 16905 1 41 . 1 1 7 7 ARG CD C 13 43.680 0.60 . 1 . . . . 7 ARG CD . 16905 1 42 . 1 1 7 7 ARG CG C 13 26.800 0.60 . 1 . . . . 7 ARG CG . 16905 1 43 . 1 1 7 7 ARG N N 15 120.91 0.15 . 1 . . . . 7 ARG N . 16905 1 44 . 1 1 8 8 ARG H H 1 8.3133 0.01 . 1 . . . . 8 ARG H . 16905 1 45 . 1 1 8 8 ARG HA H 1 4.5603 0.10 . 1 . . . . 8 ARG HA . 16905 1 46 . 1 1 8 8 ARG HB2 H 1 1.4800 0.10 . 1 . . . . 8 ARG HB2 . 16905 1 47 . 1 1 8 8 ARG HB3 H 1 1.8000 0.10 . 1 . . . . 8 ARG HB3 . 16905 1 48 . 1 1 8 8 ARG HD2 H 1 3.1400 0.10 . 2 . . . . 8 ARG HD2 . 16905 1 49 . 1 1 8 8 ARG C C 13 176.07 0.10 . 1 . . . . 8 ARG C . 16905 1 50 . 1 1 8 8 ARG CA C 13 55.310 0.60 . 1 . . . . 8 ARG CA . 16905 1 51 . 1 1 8 8 ARG CB C 13 30.930 0.60 . 1 . . . . 8 ARG CB . 16905 1 52 . 1 1 8 8 ARG CD C 13 43.680 0.60 . 1 . . . . 8 ARG CD . 16905 1 53 . 1 1 8 8 ARG CG C 13 27.430 0.60 . 1 . . . . 8 ARG CG . 16905 1 54 . 1 1 8 8 ARG N N 15 125.45 0.15 . 1 . . . . 8 ARG N . 16905 1 55 . 1 1 9 9 LEU H H 1 11.109 0.01 . 1 . . . . 9 LEU H . 16905 1 56 . 1 1 9 9 LEU HA H 1 4.5303 0.10 . 1 . . . . 9 LEU HA . 16905 1 57 . 1 1 9 9 LEU HB2 H 1 1.3400 0.10 . 2 . . . . 9 LEU HB2 . 16905 1 58 . 1 1 9 9 LEU HD11 H 1 0.9500 0.10 . 2 . . . . 9 LEU MD1 . 16905 1 59 . 1 1 9 9 LEU HD12 H 1 0.9500 0.10 . 2 . . . . 9 LEU MD1 . 16905 1 60 . 1 1 9 9 LEU HD13 H 1 0.9500 0.10 . 2 . . . . 9 LEU MD1 . 16905 1 61 . 1 1 9 9 LEU C C 13 175.99 0.10 . 1 . . . . 9 LEU C . 16905 1 62 . 1 1 9 9 LEU CA C 13 54.060 0.60 . 1 . . . . 9 LEU CA . 16905 1 63 . 1 1 9 9 LEU CB C 13 43.430 0.60 . 1 . . . . 9 LEU CB . 16905 1 64 . 1 1 9 9 LEU CD1 C 13 22.430 0.60 . 2 . . . . 9 LEU CD1 . 16905 1 65 . 1 1 9 9 LEU CG C 13 24.930 0.60 . 4 . . . . 9 LEU CG . 16905 1 66 . 1 1 9 9 LEU N N 15 130.27 0.15 . 1 . . . . 9 LEU N . 16905 1 67 . 1 1 10 10 ARG H H 1 9.6103 0.01 . 1 . . . . 10 ARG H . 16905 1 68 . 1 1 10 10 ARG HA H 1 4.9503 0.10 . 1 . . . . 10 ARG HA . 16905 1 69 . 1 1 10 10 ARG HB2 H 1 1.8800 0.10 . 1 . . . . 10 ARG HB2 . 16905 1 70 . 1 1 10 10 ARG HB3 H 1 1.7700 0.10 . 1 . . . . 10 ARG HB3 . 16905 1 71 . 1 1 10 10 ARG HD2 H 1 3.2400 0.10 . 2 . . . . 10 ARG HD2 . 16905 1 72 . 1 1 10 10 ARG HG2 H 1 1.4800 0.10 . 2 . . . . 10 ARG HG2 . 16905 1 73 . 1 1 10 10 ARG C C 13 177.55 0.10 . 1 . . . . 10 ARG C . 16905 1 74 . 1 1 10 10 ARG CA C 13 54.690 0.60 . 1 . . . . 10 ARG CA . 16905 1 75 . 1 1 10 10 ARG CB C 13 30.930 0.60 . 1 . . . . 10 ARG CB . 16905 1 76 . 1 1 10 10 ARG CD C 13 43.050 0.60 . 1 . . . . 10 ARG CD . 16905 1 77 . 1 1 10 10 ARG CG C 13 26.800 0.60 . 1 . . . . 10 ARG CG . 16905 1 78 . 1 1 10 10 ARG N N 15 121.37 0.15 . 1 . . . . 10 ARG N . 16905 1 79 . 1 1 11 11 VAL H H 1 9.2103 0.01 . 1 . . . . 11 VAL H . 16905 1 80 . 1 1 11 11 VAL HA H 1 4.7403 0.10 . 1 . . . . 11 VAL HA . 16905 1 81 . 1 1 11 11 VAL HB H 1 1.9800 0.10 . 1 . . . . 11 VAL HB . 16905 1 82 . 1 1 11 11 VAL HG11 H 1 0.7100 0.10 . 2 . . . . 11 VAL MG1 . 16905 1 83 . 1 1 11 11 VAL HG12 H 1 0.7100 0.10 . 2 . . . . 11 VAL MG1 . 16905 1 84 . 1 1 11 11 VAL HG13 H 1 0.7100 0.10 . 2 . . . . 11 VAL MG1 . 16905 1 85 . 1 1 11 11 VAL C C 13 176.31 0.10 . 1 . . . . 11 VAL C . 16905 1 86 . 1 1 11 11 VAL CA C 13 61.560 0.60 . 1 . . . . 11 VAL CA . 16905 1 87 . 1 1 11 11 VAL CB C 13 34.680 0.60 . 1 . . . . 11 VAL CB . 16905 1 88 . 1 1 11 11 VAL CG1 C 13 20.940 0.60 . 2 . . . . 11 VAL CG1 . 16905 1 89 . 1 1 11 11 VAL N N 15 125.04 0.15 . 1 . . . . 11 VAL N . 16905 1 90 . 1 1 12 12 LEU H H 1 8.2743 0.01 . 1 . . . . 12 LEU H . 16905 1 91 . 1 1 12 12 LEU HA H 1 4.6403 0.10 . 1 . . . . 12 LEU HA . 16905 1 92 . 1 1 12 12 LEU HD11 H 1 0.8400 0.10 . 2 . . . . 12 LEU MD1 . 16905 1 93 . 1 1 12 12 LEU HD12 H 1 0.8400 0.10 . 2 . . . . 12 LEU MD1 . 16905 1 94 . 1 1 12 12 LEU HD13 H 1 0.8400 0.10 . 2 . . . . 12 LEU MD1 . 16905 1 95 . 1 1 12 12 LEU HD21 H 1 0.9200 0.10 . 2 . . . . 12 LEU MD2 . 16905 1 96 . 1 1 12 12 LEU HD22 H 1 0.9200 0.10 . 2 . . . . 12 LEU MD2 . 16905 1 97 . 1 1 12 12 LEU HD23 H 1 0.9200 0.10 . 2 . . . . 12 LEU MD2 . 16905 1 98 . 1 1 12 12 LEU C C 13 173.96 0.10 . 1 . . . . 12 LEU C . 16905 1 99 . 1 1 12 12 LEU CA C 13 54.060 0.60 . 1 . . . . 12 LEU CA . 16905 1 100 . 1 1 12 12 LEU CB C 13 41.560 0.60 . 1 . . . . 12 LEU CB . 16905 1 101 . 1 1 12 12 LEU CD1 C 13 24.300 0.60 . 2 . . . . 12 LEU CD1 . 16905 1 102 . 1 1 12 12 LEU CD2 C 13 22.430 0.60 . 2 . . . . 12 LEU CD2 . 16905 1 103 . 1 1 12 12 LEU CG C 13 26.800 0.60 . 1 . . . . 12 LEU CG . 16905 1 104 . 1 1 12 12 LEU N N 15 130.02 0.15 . 1 . . . . 12 LEU N . 16905 1 105 . 1 1 13 13 VAL H H 1 8.3593 0.01 . 1 . . . . 13 VAL H . 16905 1 106 . 1 1 13 13 VAL HA H 1 4.6703 0.10 . 1 . . . . 13 VAL HA . 16905 1 107 . 1 1 13 13 VAL HB H 1 2.1200 0.10 . 1 . . . . 13 VAL HB . 16905 1 108 . 1 1 13 13 VAL HG11 H 1 0.8500 0.10 . 2 . . . . 13 VAL MG1 . 16905 1 109 . 1 1 13 13 VAL HG12 H 1 0.8500 0.10 . 2 . . . . 13 VAL MG1 . 16905 1 110 . 1 1 13 13 VAL HG13 H 1 0.8500 0.10 . 2 . . . . 13 VAL MG1 . 16905 1 111 . 1 1 13 13 VAL HG21 H 1 0.6800 0.10 . 2 . . . . 13 VAL MG2 . 16905 1 112 . 1 1 13 13 VAL HG22 H 1 0.6800 0.10 . 2 . . . . 13 VAL MG2 . 16905 1 113 . 1 1 13 13 VAL HG23 H 1 0.6800 0.10 . 2 . . . . 13 VAL MG2 . 16905 1 114 . 1 1 13 13 VAL C C 13 174.30 0.10 . 1 . . . . 13 VAL C . 16905 1 115 . 1 1 13 13 VAL CA C 13 61.560 0.60 . 1 . . . . 13 VAL CA . 16905 1 116 . 1 1 13 13 VAL CB C 13 33.430 0.60 . 1 . . . . 13 VAL CB . 16905 1 117 . 1 1 13 13 VAL CG1 C 13 20.940 0.60 . 2 . . . . 13 VAL CG1 . 16905 1 118 . 1 1 13 13 VAL N N 15 128.13 0.15 . 1 . . . . 13 VAL N . 16905 1 119 . 1 1 14 14 VAL H H 1 8.8363 0.01 . 1 . . . . 14 VAL H . 16905 1 120 . 1 1 14 14 VAL HA H 1 4.9903 0.10 . 1 . . . . 14 VAL HA . 16905 1 121 . 1 1 14 14 VAL HB H 1 2.1200 0.10 . 1 . . . . 14 VAL HB . 16905 1 122 . 1 1 14 14 VAL HG11 H 1 0.8400 0.10 . 2 . . . . 14 VAL MG1 . 16905 1 123 . 1 1 14 14 VAL HG12 H 1 0.8400 0.10 . 2 . . . . 14 VAL MG1 . 16905 1 124 . 1 1 14 14 VAL HG13 H 1 0.8400 0.10 . 2 . . . . 14 VAL MG1 . 16905 1 125 . 1 1 14 14 VAL HG21 H 1 0.7300 0.10 . 2 . . . . 14 VAL MG2 . 16905 1 126 . 1 1 14 14 VAL HG22 H 1 0.7300 0.10 . 2 . . . . 14 VAL MG2 . 16905 1 127 . 1 1 14 14 VAL HG23 H 1 0.7300 0.10 . 2 . . . . 14 VAL MG2 . 16905 1 128 . 1 1 14 14 VAL C C 13 173.81 0.10 . 1 . . . . 14 VAL C . 16905 1 129 . 1 1 14 14 VAL CA C 13 60.940 0.60 . 1 . . . . 14 VAL CA . 16905 1 130 . 1 1 14 14 VAL CB C 13 32.180 0.60 . 1 . . . . 14 VAL CB . 16905 1 131 . 1 1 14 14 VAL CG1 C 13 23.050 0.60 . 2 . . . . 14 VAL CG1 . 16905 1 132 . 1 1 14 14 VAL CG2 C 13 19.930 0.60 . 2 . . . . 14 VAL CG2 . 16905 1 133 . 1 1 14 14 VAL N N 15 128.41 0.15 . 1 . . . . 14 VAL N . 16905 1 134 . 1 1 15 15 GLU H H 1 7.9533 0.01 . 1 . . . . 15 GLU H . 16905 1 135 . 1 1 15 15 GLU HA H 1 4.5603 0.10 . 1 . . . . 15 GLU HA . 16905 1 136 . 1 1 15 15 GLU HB2 H 1 2.2200 0.10 . 2 . . . . 15 GLU HB2 . 16905 1 137 . 1 1 15 15 GLU HB3 H 1 1.5900 0.10 . 2 . . . . 15 GLU HB3 . 16905 1 138 . 1 1 15 15 GLU C C 13 173.43 0.10 . 1 . . . . 15 GLU C . 16905 1 139 . 1 1 15 15 GLU CA C 13 55.310 0.60 . 1 . . . . 15 GLU CA . 16905 1 140 . 1 1 15 15 GLU CB C 13 32.180 0.60 . 1 . . . . 15 GLU CB . 16905 1 141 . 1 1 15 15 GLU CG C 13 38.050 0.60 . 1 . . . . 15 GLU CG . 16905 1 142 . 1 1 15 15 GLU N N 15 124.91 0.15 . 1 . . . . 15 GLU N . 16905 1 143 . 1 1 16 16 ASP H H 1 9.3553 0.01 . 1 . . . . 16 ASP H . 16905 1 144 . 1 1 16 16 ASP HA H 1 4.5603 0.10 . 1 . . . . 16 ASP HA . 16905 1 145 . 1 1 16 16 ASP HB2 H 1 2.7600 0.10 . 2 . . . . 16 ASP HB2 . 16905 1 146 . 1 1 16 16 ASP HB3 H 1 3.1400 0.10 . 2 . . . . 16 ASP HB3 . 16905 1 147 . 1 1 16 16 ASP C C 13 176.63 0.10 . 1 . . . . 16 ASP C . 16905 1 148 . 1 1 16 16 ASP CA C 13 54.690 0.60 . 1 . . . . 16 ASP CA . 16905 1 149 . 1 1 16 16 ASP CB C 13 41.560 0.60 . 1 . . . . 16 ASP CB . 16905 1 150 . 1 1 16 16 ASP N N 15 125.84 0.15 . 1 . . . . 16 ASP N . 16905 1 151 . 1 1 17 17 GLU H H 1 8.5193 0.01 . 1 . . . . 17 GLU H . 16905 1 152 . 1 1 17 17 GLU HA H 1 4.3603 0.10 . 1 . . . . 17 GLU HA . 16905 1 153 . 1 1 17 17 GLU HB2 H 1 2.1500 0.10 . 2 . . . . 17 GLU HB2 . 16905 1 154 . 1 1 17 17 GLU HG2 H 1 2.4800 0.10 . 2 . . . . 17 GLU HG2 . 16905 1 155 . 1 1 17 17 GLU CA C 13 56.250 0.60 . 1 . . . . 17 GLU CA . 16905 1 156 . 1 1 17 17 GLU CB C 13 29.690 0.60 . 1 . . . . 17 GLU CB . 16905 1 157 . 1 1 17 17 GLU N N 15 123.56 0.15 . 1 . . . . 17 GLU N . 16905 1 158 . 1 1 18 18 SER H H 1 8.9520 0.01 . 1 . . . . 18 SER H . 16905 1 159 . 1 1 18 18 SER HA H 1 4.3703 0.10 . 1 . . . . 18 SER HA . 16905 1 160 . 1 1 18 18 SER C C 13 177.10 0.10 . 1 . . . . 18 SER C . 16905 1 161 . 1 1 18 18 SER CA C 13 62.210 0.60 . 1 . . . . 18 SER CA . 16905 1 162 . 1 1 18 18 SER N N 15 123.07 0.15 . 1 . . . . 18 SER N . 16905 1 163 . 1 1 19 19 MET H H 1 9.0273 0.01 . 1 . . . . 19 MET H . 16905 1 164 . 1 1 19 19 MET HA H 1 4.2403 0.10 . 1 . . . . 19 MET HA . 16905 1 165 . 1 1 19 19 MET HB2 H 1 2.2600 0.10 . 2 . . . . 19 MET HB2 . 16905 1 166 . 1 1 19 19 MET HG2 H 1 2.5800 0.10 . 2 . . . . 19 MET HG2 . 16905 1 167 . 1 1 19 19 MET C C 13 178.83 0.10 . 1 . . . . 19 MET C . 16905 1 168 . 1 1 19 19 MET CA C 13 59.060 0.60 . 1 . . . . 19 MET CA . 16905 1 169 . 1 1 19 19 MET CB C 13 32.180 0.60 . 1 . . . . 19 MET CB . 16905 1 170 . 1 1 19 19 MET CG C 13 31.800 0.60 . 1 . . . . 19 MET CG . 16905 1 171 . 1 1 19 19 MET N N 15 119.89 0.15 . 1 . . . . 19 MET N . 16905 1 172 . 1 1 20 20 ILE H H 1 7.1913 0.01 . 1 . . . . 20 ILE H . 16905 1 173 . 1 1 20 20 ILE HA H 1 3.8203 0.10 . 1 . . . . 20 ILE HA . 16905 1 174 . 1 1 20 20 ILE HB H 1 2.0900 0.10 . 1 . . . . 20 ILE HB . 16905 1 175 . 1 1 20 20 ILE HD11 H 1 0.2200 0.10 . 1 . . . . 20 ILE MD . 16905 1 176 . 1 1 20 20 ILE HD12 H 1 0.2200 0.10 . 1 . . . . 20 ILE MD . 16905 1 177 . 1 1 20 20 ILE HD13 H 1 0.2200 0.10 . 1 . . . . 20 ILE MD . 16905 1 178 . 1 1 20 20 ILE HG12 H 1 1.7400 0.10 . 2 . . . . 20 ILE HG12 . 16905 1 179 . 1 1 20 20 ILE HG13 H 1 1.3800 0.10 . 2 . . . . 20 ILE HG13 . 16905 1 180 . 1 1 20 20 ILE HG21 H 1 0.6600 0.10 . 1 . . . . 20 ILE MG . 16905 1 181 . 1 1 20 20 ILE HG22 H 1 0.6600 0.10 . 1 . . . . 20 ILE MG . 16905 1 182 . 1 1 20 20 ILE HG23 H 1 0.6600 0.10 . 1 . . . . 20 ILE MG . 16905 1 183 . 1 1 20 20 ILE C C 13 177.66 0.10 . 1 . . . . 20 ILE C . 16905 1 184 . 1 1 20 20 ILE CA C 13 61.560 0.60 . 1 . . . . 20 ILE CA . 16905 1 185 . 1 1 20 20 ILE CB C 13 35.930 0.60 . 1 . . . . 20 ILE CB . 16905 1 186 . 1 1 20 20 ILE CD1 C 13 12.810 0.60 . 1 . . . . 20 ILE CD1 . 16905 1 187 . 1 1 20 20 ILE CG1 C 13 27.430 0.60 . 1 . . . . 20 ILE CG1 . 16905 1 188 . 1 1 20 20 ILE CG2 C 13 17.430 0.60 . 1 . . . . 20 ILE CG2 . 16905 1 189 . 1 1 20 20 ILE N N 15 118.67 0.15 . 1 . . . . 20 ILE N . 16905 1 190 . 1 1 21 21 ALA H H 1 8.3643 0.01 . 1 . . . . 21 ALA H . 16905 1 191 . 1 1 21 21 ALA HA H 1 3.7103 0.10 . 1 . . . . 21 ALA HA . 16905 1 192 . 1 1 21 21 ALA HB1 H 1 1.3700 0.10 . 1 . . . . 21 ALA MB . 16905 1 193 . 1 1 21 21 ALA HB2 H 1 1.3700 0.10 . 1 . . . . 21 ALA MB . 16905 1 194 . 1 1 21 21 ALA HB3 H 1 1.3700 0.10 . 1 . . . . 21 ALA MB . 16905 1 195 . 1 1 21 21 ALA C C 13 179.28 0.10 . 1 . . . . 21 ALA C . 16905 1 196 . 1 1 21 21 ALA CA C 13 55.940 0.60 . 1 . . . . 21 ALA CA . 16905 1 197 . 1 1 21 21 ALA CB C 13 17.800 0.60 . 1 . . . . 21 ALA CB . 16905 1 198 . 1 1 21 21 ALA N N 15 123.58 0.15 . 1 . . . . 21 ALA N . 16905 1 199 . 1 1 22 22 MET H H 1 8.0903 0.01 . 1 . . . . 22 MET H . 16905 1 200 . 1 1 22 22 MET HA H 1 4.2403 0.10 . 1 . . . . 22 MET HA . 16905 1 201 . 1 1 22 22 MET HB2 H 1 2.1200 0.10 . 2 . . . . 22 MET HB2 . 16905 1 202 . 1 1 22 22 MET HG2 H 1 2.5900 0.10 . 2 . . . . 22 MET HG2 . 16905 1 203 . 1 1 22 22 MET C C 13 177.49 0.10 . 1 . . . . 22 MET C . 16905 1 204 . 1 1 22 22 MET CA C 13 59.060 0.60 . 1 . . . . 22 MET CA . 16905 1 205 . 1 1 22 22 MET CB C 13 32.810 0.60 . 1 . . . . 22 MET CB . 16905 1 206 . 1 1 22 22 MET N N 15 115.87 0.15 . 1 . . . . 22 MET N . 16905 1 207 . 1 1 23 23 LEU H H 1 7.4813 0.01 . 1 . . . . 23 LEU H . 16905 1 208 . 1 1 23 23 LEU HA H 1 4.3503 0.10 . 1 . . . . 23 LEU HA . 16905 1 209 . 1 1 23 23 LEU HB2 H 1 1.8000 0.10 . 1 . . . . 23 LEU HB2 . 16905 1 210 . 1 1 23 23 LEU HB3 H 1 2.1200 0.10 . 1 . . . . 23 LEU HB3 . 16905 1 211 . 1 1 23 23 LEU HD11 H 1 0.9100 0.10 . 2 . . . . 23 LEU MD1 . 16905 1 212 . 1 1 23 23 LEU HD12 H 1 0.9100 0.10 . 2 . . . . 23 LEU MD1 . 16905 1 213 . 1 1 23 23 LEU HD13 H 1 0.9100 0.10 . 2 . . . . 23 LEU MD1 . 16905 1 214 . 1 1 23 23 LEU HD21 H 1 0.7200 0.10 . 2 . . . . 23 LEU MD2 . 16905 1 215 . 1 1 23 23 LEU HD22 H 1 0.7200 0.10 . 2 . . . . 23 LEU MD2 . 16905 1 216 . 1 1 23 23 LEU HD23 H 1 0.7200 0.10 . 2 . . . . 23 LEU MD2 . 16905 1 217 . 1 1 23 23 LEU HG H 1 1.6000 0.10 . 1 . . . . 23 LEU HG . 16905 1 218 . 1 1 23 23 LEU C C 13 180.94 0.10 . 1 . . . . 23 LEU C . 16905 1 219 . 1 1 23 23 LEU CA C 13 57.910 0.60 . 1 . . . . 23 LEU CA . 16905 1 220 . 1 1 23 23 LEU CB C 13 42.180 0.60 . 1 . . . . 23 LEU CB . 16905 1 221 . 1 1 23 23 LEU CD1 C 13 24.930 0.60 . 2 . . . . 23 LEU CD1 . 16905 1 222 . 1 1 23 23 LEU N N 15 120.39 0.15 . 1 . . . . 23 LEU N . 16905 1 223 . 1 1 24 24 ILE H H 1 8.6423 0.01 . 1 . . . . 24 ILE H . 16905 1 224 . 1 1 24 24 ILE HA H 1 3.4600 0.10 . 1 . . . . 24 ILE HA . 16905 1 225 . 1 1 24 24 ILE HB H 1 1.9300 0.10 . 1 . . . . 24 ILE HB . 16905 1 226 . 1 1 24 24 ILE HD11 H 1 0.6700 0.10 . 1 . . . . 24 ILE MD . 16905 1 227 . 1 1 24 24 ILE HD12 H 1 0.6700 0.10 . 1 . . . . 24 ILE MD . 16905 1 228 . 1 1 24 24 ILE HD13 H 1 0.6700 0.10 . 1 . . . . 24 ILE MD . 16905 1 229 . 1 1 24 24 ILE HG12 H 1 1.3900 0.10 . 2 . . . . 24 ILE HG12 . 16905 1 230 . 1 1 24 24 ILE HG13 H 1 1.3400 0.10 . 2 . . . . 24 ILE HG13 . 16905 1 231 . 1 1 24 24 ILE HG21 H 1 0.7300 0.10 . 1 . . . . 24 ILE MG . 16905 1 232 . 1 1 24 24 ILE HG22 H 1 0.7300 0.10 . 1 . . . . 24 ILE MG . 16905 1 233 . 1 1 24 24 ILE HG23 H 1 0.7300 0.10 . 1 . . . . 24 ILE MG . 16905 1 234 . 1 1 24 24 ILE C C 13 177.27 0.10 . 1 . . . . 24 ILE C . 16905 1 235 . 1 1 24 24 ILE CA C 13 66.560 0.60 . 1 . . . . 24 ILE CA . 16905 1 236 . 1 1 24 24 ILE CB C 13 38.430 0.60 . 1 . . . . 24 ILE CB . 16905 1 237 . 1 1 24 24 ILE CD1 C 13 14.060 0.60 . 1 . . . . 24 ILE CD1 . 16905 1 238 . 1 1 24 24 ILE CG1 C 13 29.300 0.60 . 1 . . . . 24 ILE CG1 . 16905 1 239 . 1 1 24 24 ILE CG2 C 13 18.050 0.60 . 1 . . . . 24 ILE CG2 . 16905 1 240 . 1 1 24 24 ILE N N 15 120.85 0.15 . 1 . . . . 24 ILE N . 16905 1 241 . 1 1 25 25 GLU H H 1 8.5193 0.01 . 1 . . . . 25 GLU H . 16905 1 242 . 1 1 25 25 GLU HA H 1 3.7103 0.10 . 1 . . . . 25 GLU HA . 16905 1 243 . 1 1 25 25 GLU HB2 H 1 2.2200 0.10 . 2 . . . . 25 GLU HB2 . 16905 1 244 . 1 1 25 25 GLU HG2 H 1 2.4800 0.10 . 2 . . . . 25 GLU HG2 . 16905 1 245 . 1 1 25 25 GLU C C 13 178.35 0.10 . 1 . . . . 25 GLU C . 16905 1 246 . 1 1 25 25 GLU CA C 13 60.940 0.60 . 1 . . . . 25 GLU CA . 16905 1 247 . 1 1 25 25 GLU CB C 13 29.060 0.60 . 1 . . . . 25 GLU CB . 16905 1 248 . 1 1 25 25 GLU CG C 13 34.930 0.60 . 1 . . . . 25 GLU CG . 16905 1 249 . 1 1 25 25 GLU N N 15 119.58 0.15 . 1 . . . . 25 GLU N . 16905 1 250 . 1 1 26 26 ASP H H 1 8.8553 0.01 . 1 . . . . 26 ASP H . 16905 1 251 . 1 1 26 26 ASP HA H 1 4.3503 0.10 . 1 . . . . 26 ASP HA . 16905 1 252 . 1 1 26 26 ASP HB2 H 1 2.6700 0.10 . 1 . . . . 26 ASP HB2 . 16905 1 253 . 1 1 26 26 ASP HB3 H 1 2.8600 0.10 . 1 . . . . 26 ASP HB3 . 16905 1 254 . 1 1 26 26 ASP C C 13 179.50 0.10 . 1 . . . . 26 ASP C . 16905 1 255 . 1 1 26 26 ASP CA C 13 57.810 0.60 . 1 . . . . 26 ASP CA . 16905 1 256 . 1 1 26 26 ASP CB C 13 40.310 0.60 . 1 . . . . 26 ASP CB . 16905 1 257 . 1 1 26 26 ASP N N 15 119.55 0.15 . 1 . . . . 26 ASP N . 16905 1 258 . 1 1 27 27 THR H H 1 8.1143 0.01 . 1 . . . . 27 THR H . 16905 1 259 . 1 1 27 27 THR HA H 1 4.2403 0.10 . 1 . . . . 27 THR HA . 16905 1 260 . 1 1 27 27 THR HB H 1 4.0300 0.10 . 1 . . . . 27 THR HB . 16905 1 261 . 1 1 27 27 THR HG21 H 1 1.3700 0.10 . 1 . . . . 27 THR MG . 16905 1 262 . 1 1 27 27 THR HG22 H 1 1.3700 0.10 . 1 . . . . 27 THR MG . 16905 1 263 . 1 1 27 27 THR HG23 H 1 1.3700 0.10 . 1 . . . . 27 THR MG . 16905 1 264 . 1 1 27 27 THR C C 13 176.31 0.10 . 1 . . . . 27 THR C . 16905 1 265 . 1 1 27 27 THR CA C 13 67.190 0.60 . 1 . . . . 27 THR CA . 16905 1 266 . 1 1 27 27 THR CB C 13 68.440 0.60 . 1 . . . . 27 THR CB . 16905 1 267 . 1 1 27 27 THR CG2 C 13 21.800 0.60 . 1 . . . . 27 THR CG2 . 16905 1 268 . 1 1 27 27 THR N N 15 117.35 0.15 . 1 . . . . 27 THR N . 16905 1 269 . 1 1 28 28 LEU H H 1 8.6313 0.01 . 1 . . . . 28 LEU H . 16905 1 270 . 1 1 28 28 LEU HA H 1 3.9203 0.10 . 1 . . . . 28 LEU HA . 16905 1 271 . 1 1 28 28 LEU HB2 H 1 1.0300 0.10 . 1 . . . . 28 LEU HB2 . 16905 1 272 . 1 1 28 28 LEU HB3 H 1 2.0100 0.10 . 1 . . . . 28 LEU HB3 . 16905 1 273 . 1 1 28 28 LEU HD11 H 1 0.7000 0.10 . 2 . . . . 28 LEU MD1 . 16905 1 274 . 1 1 28 28 LEU HD12 H 1 0.7000 0.10 . 2 . . . . 28 LEU MD1 . 16905 1 275 . 1 1 28 28 LEU HD13 H 1 0.7000 0.10 . 2 . . . . 28 LEU MD1 . 16905 1 276 . 1 1 28 28 LEU C C 13 178.80 0.10 . 1 . . . . 28 LEU C . 16905 1 277 . 1 1 28 28 LEU CA C 13 58.440 0.60 . 1 . . . . 28 LEU CA . 16905 1 278 . 1 1 28 28 LEU CB C 13 41.560 0.60 . 1 . . . . 28 LEU CB . 16905 1 279 . 1 1 28 28 LEU CD1 C 13 23.680 0.60 . 2 . . . . 28 LEU CD1 . 16905 1 280 . 1 1 28 28 LEU CG C 13 27.430 0.60 . 1 . . . . 28 LEU CG . 16905 1 281 . 1 1 28 28 LEU N N 15 120.39 0.15 . 1 . . . . 28 LEU N . 16905 1 282 . 1 1 29 29 CYS H H 1 8.2103 0.01 . 1 . . . . 29 CYS H . 16905 1 283 . 1 1 29 29 CYS HA H 1 4.6703 0.10 . 1 . . . . 29 CYS HA . 16905 1 284 . 1 1 29 29 CYS HB2 H 1 3.0400 0.10 . 1 . . . . 29 CYS HB2 . 16905 1 285 . 1 1 29 29 CYS HB3 H 1 3.1800 0.10 . 1 . . . . 29 CYS HB3 . 16905 1 286 . 1 1 29 29 CYS C C 13 179.38 0.10 . 1 . . . . 29 CYS C . 16905 1 287 . 1 1 29 29 CYS CA C 13 62.810 0.60 . 1 . . . . 29 CYS CA . 16905 1 288 . 1 1 29 29 CYS CB C 13 26.560 0.60 . 1 . . . . 29 CYS CB . 16905 1 289 . 1 1 29 29 CYS N N 15 116.95 0.15 . 1 . . . . 29 CYS N . 16905 1 290 . 1 1 30 30 GLU H H 1 8.0403 0.01 . 1 . . . . 30 GLU H . 16905 1 291 . 1 1 30 30 GLU HA H 1 4.1303 0.10 . 1 . . . . 30 GLU HA . 16905 1 292 . 1 1 30 30 GLU HB2 H 1 2.2000 0.10 . 2 . . . . 30 GLU HB2 . 16905 1 293 . 1 1 30 30 GLU HG2 H 1 2.3300 0.10 . 2 . . . . 30 GLU HG2 . 16905 1 294 . 1 1 30 30 GLU C C 13 178.31 0.10 . 1 . . . . 30 GLU C . 16905 1 295 . 1 1 30 30 GLU CA C 13 59.070 0.60 . 1 . . . . 30 GLU CA . 16905 1 296 . 1 1 30 30 GLU CB C 13 29.060 0.60 . 1 . . . . 30 GLU CB . 16905 1 297 . 1 1 30 30 GLU CG C 13 34.930 0.60 . 1 . . . . 30 GLU CG . 16905 1 298 . 1 1 30 30 GLU N N 15 122.80 0.15 . 1 . . . . 30 GLU N . 16905 1 299 . 1 1 31 31 LEU H H 1 7.6623 0.01 . 1 . . . . 31 LEU H . 16905 1 300 . 1 1 31 31 LEU HA H 1 4.2403 0.10 . 1 . . . . 31 LEU HA . 16905 1 301 . 1 1 31 31 LEU HB2 H 1 1.9000 0.10 . 1 . . . . 31 LEU HB2 . 16905 1 302 . 1 1 31 31 LEU HB3 H 1 1.5900 0.10 . 1 . . . . 31 LEU HB3 . 16905 1 303 . 1 1 31 31 LEU HD11 H 1 0.8400 0.10 . 2 . . . . 31 LEU MD1 . 16905 1 304 . 1 1 31 31 LEU HD12 H 1 0.8400 0.10 . 2 . . . . 31 LEU MD1 . 16905 1 305 . 1 1 31 31 LEU HD13 H 1 0.8400 0.10 . 2 . . . . 31 LEU MD1 . 16905 1 306 . 1 1 31 31 LEU C C 13 176.32 0.10 . 1 . . . . 31 LEU C . 16905 1 307 . 1 1 31 31 LEU CA C 13 55.310 0.60 . 1 . . . . 31 LEU CA . 16905 1 308 . 1 1 31 31 LEU CB C 13 43.430 0.60 . 1 . . . . 31 LEU CB . 16905 1 309 . 1 1 31 31 LEU CD1 C 13 21.800 0.60 . 2 . . . . 31 LEU CD1 . 16905 1 310 . 1 1 31 31 LEU CG C 13 25.550 0.60 . 1 . . . . 31 LEU CG . 16905 1 311 . 1 1 31 31 LEU N N 15 116.93 0.15 . 1 . . . . 31 LEU N . 16905 1 312 . 1 1 32 32 GLY H H 1 7.5953 0.01 . 1 . . . . 32 GLY H . 16905 1 313 . 1 1 32 32 GLY HA2 H 1 4.0303 0.10 . 2 . . . . 32 GLY HA2 . 16905 1 314 . 1 1 32 32 GLY HA3 H 1 3.6000 0.10 . 2 . . . . 32 GLY HA3 . 16905 1 315 . 1 1 32 32 GLY C C 13 174.02 0.10 . 1 . . . . 32 GLY C . 16905 1 316 . 1 1 32 32 GLY CA C 13 45.310 0.60 . 1 . . . . 32 GLY CA . 16905 1 317 . 1 1 32 32 GLY N N 15 105.42 0.15 . 1 . . . . 32 GLY N . 16905 1 318 . 1 1 33 33 HIS H H 1 7.7823 0.01 . 1 . . . . 33 HIS H . 16905 1 319 . 1 1 33 33 HIS HA H 1 5.2003 0.10 . 1 . . . . 33 HIS HA . 16905 1 320 . 1 1 33 33 HIS HB2 H 1 2.6500 0.10 . 1 . . . . 33 HIS HB2 . 16905 1 321 . 1 1 33 33 HIS HB3 H 1 3.3900 0.10 . 1 . . . . 33 HIS HB3 . 16905 1 322 . 1 1 33 33 HIS HD2 H 1 6.4700 0.10 . 1 . . . . 33 HIS HD2 . 16905 1 323 . 1 1 33 33 HIS HE1 H 1 7.8500 0.10 . 1 . . . . 33 HIS HE1 . 16905 1 324 . 1 1 33 33 HIS C C 13 173.41 0.10 . 1 . . . . 33 HIS C . 16905 1 325 . 1 1 33 33 HIS CA C 13 55.310 0.60 . 1 . . . . 33 HIS CA . 16905 1 326 . 1 1 33 33 HIS CB C 13 32.810 0.60 . 1 . . . . 33 HIS CB . 16905 1 327 . 1 1 33 33 HIS CD2 C 13 115.93 0.60 . 1 . . . . 33 HIS CD2 . 16905 1 328 . 1 1 33 33 HIS CE1 C 13 139.85 0.60 . 1 . . . . 33 HIS CE1 . 16905 1 329 . 1 1 33 33 HIS N N 15 119.40 0.15 . 1 . . . . 33 HIS N . 16905 1 330 . 1 1 34 34 GLU H H 1 8.8593 0.01 . 1 . . . . 34 GLU H . 16905 1 331 . 1 1 34 34 GLU HA H 1 4.6703 0.10 . 1 . . . . 34 GLU HA . 16905 1 332 . 1 1 34 34 GLU HB2 H 1 2.0100 0.10 . 2 . . . . 34 GLU HB2 . 16905 1 333 . 1 1 34 34 GLU HB3 H 1 1.9000 0.10 . 2 . . . . 34 GLU HB3 . 16905 1 334 . 1 1 34 34 GLU C C 13 175.27 0.10 . 1 . . . . 34 GLU C . 16905 1 335 . 1 1 34 34 GLU CA C 13 54.690 0.60 . 1 . . . . 34 GLU CA . 16905 1 336 . 1 1 34 34 GLU CB C 13 34.060 0.60 . 1 . . . . 34 GLU CB . 16905 1 337 . 1 1 34 34 GLU CG C 13 36.180 0.60 . 1 . . . . 34 GLU CG . 16905 1 338 . 1 1 34 34 GLU N N 15 117.84 0.15 . 1 . . . . 34 GLU N . 16905 1 339 . 1 1 35 35 VAL H H 1 8.8773 0.01 . 1 . . . . 35 VAL H . 16905 1 340 . 1 1 35 35 VAL HA H 1 4.6703 0.10 . 1 . . . . 35 VAL HA . 16905 1 341 . 1 1 35 35 VAL HB H 1 1.4800 0.10 . 1 . . . . 35 VAL HB . 16905 1 342 . 1 1 35 35 VAL HG11 H 1 1.1600 0.10 . 2 . . . . 35 VAL MG1 . 16905 1 343 . 1 1 35 35 VAL HG12 H 1 1.1600 0.10 . 2 . . . . 35 VAL MG1 . 16905 1 344 . 1 1 35 35 VAL HG13 H 1 1.1600 0.10 . 2 . . . . 35 VAL MG1 . 16905 1 345 . 1 1 35 35 VAL HG21 H 1 0.8300 0.10 . 2 . . . . 35 VAL MG2 . 16905 1 346 . 1 1 35 35 VAL HG22 H 1 0.8300 0.10 . 2 . . . . 35 VAL MG2 . 16905 1 347 . 1 1 35 35 VAL HG23 H 1 0.8300 0.10 . 2 . . . . 35 VAL MG2 . 16905 1 348 . 1 1 35 35 VAL C C 13 175.82 0.10 . 1 . . . . 35 VAL C . 16905 1 349 . 1 1 35 35 VAL CA C 13 62.190 0.60 . 1 . . . . 35 VAL CA . 16905 1 350 . 1 1 35 35 VAL CB C 13 33.430 0.60 . 1 . . . . 35 VAL CB . 16905 1 351 . 1 1 35 35 VAL CG1 C 13 21.800 0.60 . 2 . . . . 35 VAL CG1 . 16905 1 352 . 1 1 35 35 VAL N N 15 125.76 0.15 . 1 . . . . 35 VAL N . 16905 1 353 . 1 1 36 36 ALA H H 1 9.1123 0.01 . 1 . . . . 36 ALA H . 16905 1 354 . 1 1 36 36 ALA HA H 1 4.2403 0.10 . 1 . . . . 36 ALA HA . 16905 1 355 . 1 1 36 36 ALA HB1 H 1 1.3700 0.10 . 1 . . . . 36 ALA MB . 16905 1 356 . 1 1 36 36 ALA HB2 H 1 1.3700 0.10 . 1 . . . . 36 ALA MB . 16905 1 357 . 1 1 36 36 ALA HB3 H 1 1.3700 0.10 . 1 . . . . 36 ALA MB . 16905 1 358 . 1 1 36 36 ALA C C 13 177.49 0.10 . 1 . . . . 36 ALA C . 16905 1 359 . 1 1 36 36 ALA CA C 13 53.440 0.60 . 1 . . . . 36 ALA CA . 16905 1 360 . 1 1 36 36 ALA CB C 13 20.310 0.60 . 1 . . . . 36 ALA CB . 16905 1 361 . 1 1 36 36 ALA N N 15 132.95 0.15 . 1 . . . . 36 ALA N . 16905 1 362 . 1 1 37 37 ALA H H 1 7.4683 0.01 . 1 . . . . 37 ALA H . 16905 1 363 . 1 1 37 37 ALA HA H 1 4.4203 0.10 . 1 . . . . 37 ALA HA . 16905 1 364 . 1 1 37 37 ALA HB1 H 1 1.3500 0.10 . 1 . . . . 37 ALA MB . 16905 1 365 . 1 1 37 37 ALA HB2 H 1 1.3500 0.10 . 1 . . . . 37 ALA MB . 16905 1 366 . 1 1 37 37 ALA HB3 H 1 1.3500 0.10 . 1 . . . . 37 ALA MB . 16905 1 367 . 1 1 37 37 ALA C C 13 174.74 0.10 . 1 . . . . 37 ALA C . 16905 1 368 . 1 1 37 37 ALA CA C 13 51.560 0.60 . 1 . . . . 37 ALA CA . 16905 1 369 . 1 1 37 37 ALA CB C 13 21.560 0.60 . 1 . . . . 37 ALA CB . 16905 1 370 . 1 1 37 37 ALA N N 15 115.45 0.15 . 1 . . . . 37 ALA N . 16905 1 371 . 1 1 38 38 THR H H 1 8.1743 0.01 . 1 . . . . 38 THR H . 16905 1 372 . 1 1 38 38 THR HA H 1 5.4803 0.10 . 1 . . . . 38 THR HA . 16905 1 373 . 1 1 38 38 THR HB H 1 4.0000 0.10 . 1 . . . . 38 THR HB . 16905 1 374 . 1 1 38 38 THR HG21 H 1 1.0300 0.10 . 1 . . . . 38 THR MG . 16905 1 375 . 1 1 38 38 THR HG22 H 1 1.0300 0.10 . 1 . . . . 38 THR MG . 16905 1 376 . 1 1 38 38 THR HG23 H 1 1.0300 0.10 . 1 . . . . 38 THR MG . 16905 1 377 . 1 1 38 38 THR C C 13 173.33 0.10 . 1 . . . . 38 THR C . 16905 1 378 . 1 1 38 38 THR CA C 13 59.690 0.60 . 1 . . . . 38 THR CA . 16905 1 379 . 1 1 38 38 THR CB C 13 70.940 0.60 . 1 . . . . 38 THR CB . 16905 1 380 . 1 1 38 38 THR N N 15 113.26 0.15 . 1 . . . . 38 THR N . 16905 1 381 . 1 1 39 39 ALA H H 1 8.6193 0.01 . 1 . . . . 39 ALA H . 16905 1 382 . 1 1 39 39 ALA HA H 1 4.6403 0.10 . 1 . . . . 39 ALA HA . 16905 1 383 . 1 1 39 39 ALA HB1 H 1 1.2400 0.10 . 1 . . . . 39 ALA MB . 16905 1 384 . 1 1 39 39 ALA HB2 H 1 1.2400 0.10 . 1 . . . . 39 ALA MB . 16905 1 385 . 1 1 39 39 ALA HB3 H 1 1.2400 0.10 . 1 . . . . 39 ALA MB . 16905 1 386 . 1 1 39 39 ALA C C 13 175.51 0.10 . 1 . . . . 39 ALA C . 16905 1 387 . 1 1 39 39 ALA CA C 13 50.930 0.60 . 1 . . . . 39 ALA CA . 16905 1 388 . 1 1 39 39 ALA CB C 13 22.180 0.60 . 1 . . . . 39 ALA CB . 16905 1 389 . 1 1 39 39 ALA N N 15 124.04 0.15 . 1 . . . . 39 ALA N . 16905 1 390 . 1 1 40 40 SER H H 1 8.9693 0.01 . 1 . . . . 40 SER H . 16905 1 391 . 1 1 40 40 SER HA H 1 4.5303 0.10 . 1 . . . . 40 SER HA . 16905 1 392 . 1 1 40 40 SER HB2 H 1 4.0000 0.10 . 1 . . . . 40 SER HB2 . 16905 1 393 . 1 1 40 40 SER HB3 H 1 3.7900 0.10 . 1 . . . . 40 SER HB3 . 16905 1 394 . 1 1 40 40 SER C C 13 172.68 0.10 . 1 . . . . 40 SER C . 16905 1 395 . 1 1 40 40 SER CA C 13 57.810 0.60 . 1 . . . . 40 SER CA . 16905 1 396 . 1 1 40 40 SER CB C 13 65.940 0.60 . 1 . . . . 40 SER CB . 16905 1 397 . 1 1 40 40 SER N N 15 113.61 0.15 . 1 . . . . 40 SER N . 16905 1 398 . 1 1 41 41 ARG H H 1 7.3303 0.01 . 1 . . . . 41 ARG H . 16905 1 399 . 1 1 41 41 ARG HA H 1 4.7403 0.10 . 1 . . . . 41 ARG HA . 16905 1 400 . 1 1 41 41 ARG HB2 H 1 1.7700 0.10 . 1 . . . . 41 ARG HB2 . 16905 1 401 . 1 1 41 41 ARG HB3 H 1 1.9800 0.10 . 1 . . . . 41 ARG HB3 . 16905 1 402 . 1 1 41 41 ARG HD2 H 1 3.1500 0.10 . 2 . . . . 41 ARG HD2 . 16905 1 403 . 1 1 41 41 ARG HG2 H 1 1.2400 0.10 . 2 . . . . 41 ARG HG2 . 16905 1 404 . 1 1 41 41 ARG C C 13 176.60 0.10 . 1 . . . . 41 ARG C . 16905 1 405 . 1 1 41 41 ARG CA C 13 54.070 0.60 . 1 . . . . 41 ARG CA . 16905 1 406 . 1 1 41 41 ARG CB C 13 34.060 0.60 . 1 . . . . 41 ARG CB . 16905 1 407 . 1 1 41 41 ARG CD C 13 43.050 0.60 . 1 . . . . 41 ARG CD . 16905 1 408 . 1 1 41 41 ARG CG C 13 27.190 0.60 . 1 . . . . 41 ARG CG . 16905 1 409 . 1 1 41 41 ARG N N 15 117.83 0.15 . 1 . . . . 41 ARG N . 16905 1 410 . 1 1 42 42 MET H H 1 9.3413 0.01 . 1 . . . . 42 MET H . 16905 1 411 . 1 1 42 42 MET HA H 1 4.0003 0.10 . 1 . . . . 42 MET HA . 16905 1 412 . 1 1 42 42 MET HB2 H 1 2.0300 0.10 . 2 . . . . 42 MET HB2 . 16905 1 413 . 1 1 42 42 MET HB3 H 1 2.2600 0.10 . 2 . . . . 42 MET HB3 . 16905 1 414 . 1 1 42 42 MET HG2 H 1 2.7000 0.10 . 2 . . . . 42 MET HG2 . 16905 1 415 . 1 1 42 42 MET C C 13 177.41 0.10 . 1 . . . . 42 MET C . 16905 1 416 . 1 1 42 42 MET CA C 13 58.440 0.60 . 1 . . . . 42 MET CA . 16905 1 417 . 1 1 42 42 MET CB C 13 30.930 0.60 . 1 . . . . 42 MET CB . 16905 1 418 . 1 1 42 42 MET N N 15 123.45 0.15 . 1 . . . . 42 MET N . 16905 1 419 . 1 1 43 43 GLN H H 1 8.9413 0.01 . 1 . . . . 43 GLN H . 16905 1 420 . 1 1 43 43 GLN HA H 1 4.6403 0.10 . 1 . . . . 43 GLN HA . 16905 1 421 . 1 1 43 43 GLN HB2 H 1 3.7900 0.10 . 2 . . . . 43 GLN HB2 . 16905 1 422 . 1 1 43 43 GLN HB3 H 1 1.9700 0.10 . 2 . . . . 43 GLN HB3 . 16905 1 423 . 1 1 43 43 GLN HE21 H 1 7.3109 0.01 . 2 . . . . 43 GLN HE21 . 16905 1 424 . 1 1 43 43 GLN HE22 H 1 6.6109 0.01 . 2 . . . . 43 GLN HE22 . 16905 1 425 . 1 1 43 43 GLN HG2 H 1 2.3700 0.10 . 2 . . . . 43 GLN HG2 . 16905 1 426 . 1 1 43 43 GLN C C 13 178.36 0.10 . 1 . . . . 43 GLN C . 16905 1 427 . 1 1 43 43 GLN CA C 13 59.690 0.60 . 1 . . . . 43 GLN CA . 16905 1 428 . 1 1 43 43 GLN CB C 13 27.810 0.60 . 1 . . . . 43 GLN CB . 16905 1 429 . 1 1 43 43 GLN CG C 13 33.680 0.60 . 1 . . . . 43 GLN CG . 16905 1 430 . 1 1 43 43 GLN N N 15 116.99 0.15 . 1 . . . . 43 GLN N . 16905 1 431 . 1 1 43 43 GLN NE2 N 15 112.32 0.15 . 1 . . . . 43 GLN NE2 . 16905 1 432 . 1 1 44 44 GLU H H 1 7.1583 0.01 . 1 . . . . 44 GLU H . 16905 1 433 . 1 1 44 44 GLU HA H 1 4.1003 0.10 . 1 . . . . 44 GLU HA . 16905 1 434 . 1 1 44 44 GLU HB2 H 1 2.2200 0.10 . 2 . . . . 44 GLU HB2 . 16905 1 435 . 1 1 44 44 GLU HG2 H 1 2.3000 0.10 . 2 . . . . 44 GLU HG2 . 16905 1 436 . 1 1 44 44 GLU C C 13 178.21 0.10 . 1 . . . . 44 GLU C . 16905 1 437 . 1 1 44 44 GLU CA C 13 59.060 0.60 . 1 . . . . 44 GLU CA . 16905 1 438 . 1 1 44 44 GLU CB C 13 30.310 0.60 . 1 . . . . 44 GLU CB . 16905 1 439 . 1 1 44 44 GLU CG C 13 36.180 0.60 . 1 . . . . 44 GLU CG . 16905 1 440 . 1 1 44 44 GLU N N 15 117.39 0.15 . 1 . . . . 44 GLU N . 16905 1 441 . 1 1 45 45 ALA H H 1 8.2383 0.01 . 1 . . . . 45 ALA H . 16905 1 442 . 1 1 45 45 ALA HA H 1 3.6803 0.10 . 1 . . . . 45 ALA HA . 16905 1 443 . 1 1 45 45 ALA HB1 H 1 1.2400 0.10 . 1 . . . . 45 ALA MB . 16905 1 444 . 1 1 45 45 ALA HB2 H 1 1.2400 0.10 . 1 . . . . 45 ALA MB . 16905 1 445 . 1 1 45 45 ALA HB3 H 1 1.2400 0.10 . 1 . . . . 45 ALA MB . 16905 1 446 . 1 1 45 45 ALA C C 13 178.49 0.10 . 1 . . . . 45 ALA C . 16905 1 447 . 1 1 45 45 ALA CA C 13 54.690 0.60 . 1 . . . . 45 ALA CA . 16905 1 448 . 1 1 45 45 ALA CB C 13 19.680 0.60 . 1 . . . . 45 ALA CB . 16905 1 449 . 1 1 45 45 ALA N N 15 121.05 0.15 . 1 . . . . 45 ALA N . 16905 1 450 . 1 1 46 46 LEU H H 1 8.3523 0.01 . 1 . . . . 46 LEU H . 16905 1 451 . 1 1 46 46 LEU HA H 1 3.7903 0.10 . 1 . . . . 46 LEU HA . 16905 1 452 . 1 1 46 46 LEU HB2 H 1 1.2900 0.10 . 1 . . . . 46 LEU HB2 . 16905 1 453 . 1 1 46 46 LEU HB3 H 1 1.8700 0.10 . 1 . . . . 46 LEU HB3 . 16905 1 454 . 1 1 46 46 LEU HD11 H 1 0.8100 0.10 . 2 . . . . 46 LEU MD1 . 16905 1 455 . 1 1 46 46 LEU HD12 H 1 0.8100 0.10 . 2 . . . . 46 LEU MD1 . 16905 1 456 . 1 1 46 46 LEU HD13 H 1 0.8100 0.10 . 2 . . . . 46 LEU MD1 . 16905 1 457 . 1 1 46 46 LEU HD21 H 1 1.1300 0.10 . 2 . . . . 46 LEU MD2 . 16905 1 458 . 1 1 46 46 LEU HD22 H 1 1.1300 0.10 . 2 . . . . 46 LEU MD2 . 16905 1 459 . 1 1 46 46 LEU HD23 H 1 1.1300 0.10 . 2 . . . . 46 LEU MD2 . 16905 1 460 . 1 1 46 46 LEU C C 13 178.80 0.10 . 1 . . . . 46 LEU C . 16905 1 461 . 1 1 46 46 LEU CA C 13 58.440 0.60 . 1 . . . . 46 LEU CA . 16905 1 462 . 1 1 46 46 LEU CB C 13 42.190 0.60 . 1 . . . . 46 LEU CB . 16905 1 463 . 1 1 46 46 LEU CD1 C 13 25.550 0.60 . 2 . . . . 46 LEU CD1 . 16905 1 464 . 1 1 46 46 LEU CD2 C 13 23.050 0.60 . 2 . . . . 46 LEU CD2 . 16905 1 465 . 1 1 46 46 LEU CG C 13 28.680 0.60 . 1 . . . . 46 LEU CG . 16905 1 466 . 1 1 46 46 LEU N N 15 116.71 0.15 . 1 . . . . 46 LEU N . 16905 1 467 . 1 1 47 47 ASP H H 1 7.4023 0.01 . 1 . . . . 47 ASP H . 16905 1 468 . 1 1 47 47 ASP HA H 1 4.4203 0.10 . 1 . . . . 47 ASP HA . 16905 1 469 . 1 1 47 47 ASP HB2 H 1 2.7200 0.10 . 2 . . . . 47 ASP HB2 . 16905 1 470 . 1 1 47 47 ASP HB3 H 1 2.6200 0.10 . 2 . . . . 47 ASP HB3 . 16905 1 471 . 1 1 47 47 ASP C C 13 178.78 0.10 . 1 . . . . 47 ASP C . 16905 1 472 . 1 1 47 47 ASP CA C 13 57.820 0.60 . 1 . . . . 47 ASP CA . 16905 1 473 . 1 1 47 47 ASP CB C 13 41.560 0.60 . 1 . . . . 47 ASP CB . 16905 1 474 . 1 1 47 47 ASP N N 15 117.72 0.15 . 1 . . . . 47 ASP N . 16905 1 475 . 1 1 48 48 ILE H H 1 8.2213 0.01 . 1 . . . . 48 ILE H . 16905 1 476 . 1 1 48 48 ILE HA H 1 3.8903 0.10 . 1 . . . . 48 ILE HA . 16905 1 477 . 1 1 48 48 ILE HB H 1 1.6600 0.10 . 1 . . . . 48 ILE HB . 16905 1 478 . 1 1 48 48 ILE HD11 H 1 0.0400 0.10 . 1 . . . . 48 ILE MD . 16905 1 479 . 1 1 48 48 ILE HD12 H 1 0.0400 0.10 . 1 . . . . 48 ILE MD . 16905 1 480 . 1 1 48 48 ILE HD13 H 1 0.0400 0.10 . 1 . . . . 48 ILE MD . 16905 1 481 . 1 1 48 48 ILE HG12 H 1 1.1600 0.10 . 2 . . . . 48 ILE HG12 . 16905 1 482 . 1 1 48 48 ILE HG13 H 1 0.8400 0.10 . 2 . . . . 48 ILE HG13 . 16905 1 483 . 1 1 48 48 ILE HG21 H 1 0.3700 0.10 . 1 . . . . 48 ILE MG . 16905 1 484 . 1 1 48 48 ILE HG22 H 1 0.3700 0.10 . 1 . . . . 48 ILE MG . 16905 1 485 . 1 1 48 48 ILE HG23 H 1 0.3700 0.10 . 1 . . . . 48 ILE MG . 16905 1 486 . 1 1 48 48 ILE C C 13 178.66 0.10 . 1 . . . . 48 ILE C . 16905 1 487 . 1 1 48 48 ILE CA C 13 63.440 0.60 . 1 . . . . 48 ILE CA . 16905 1 488 . 1 1 48 48 ILE CB C 13 38.430 0.60 . 1 . . . . 48 ILE CB . 16905 1 489 . 1 1 48 48 ILE CD1 C 13 14.060 0.60 . 1 . . . . 48 ILE CD1 . 16905 1 490 . 1 1 48 48 ILE CG1 C 13 29.300 0.60 . 1 . . . . 48 ILE CG1 . 16905 1 491 . 1 1 48 48 ILE CG2 C 13 19.300 0.60 . 1 . . . . 48 ILE CG2 . 16905 1 492 . 1 1 48 48 ILE N N 15 118.67 0.15 . 1 . . . . 48 ILE N . 16905 1 493 . 1 1 49 49 ALA H H 1 8.6203 0.01 . 1 . . . . 49 ALA H . 16905 1 494 . 1 1 49 49 ALA HA H 1 4.0003 0.10 . 1 . . . . 49 ALA HA . 16905 1 495 . 1 1 49 49 ALA HB1 H 1 1.3400 0.10 . 1 . . . . 49 ALA MB . 16905 1 496 . 1 1 49 49 ALA HB2 H 1 1.3400 0.10 . 1 . . . . 49 ALA MB . 16905 1 497 . 1 1 49 49 ALA HB3 H 1 1.3400 0.10 . 1 . . . . 49 ALA MB . 16905 1 498 . 1 1 49 49 ALA C C 13 178.35 0.10 . 1 . . . . 49 ALA C . 16905 1 499 . 1 1 49 49 ALA CA C 13 55.310 0.60 . 1 . . . . 49 ALA CA . 16905 1 500 . 1 1 49 49 ALA CB C 13 18.430 0.60 . 1 . . . . 49 ALA CB . 16905 1 501 . 1 1 49 49 ALA N N 15 123.15 0.15 . 1 . . . . 49 ALA N . 16905 1 502 . 1 1 50 50 ARG H H 1 7.4383 0.01 . 1 . . . . 50 ARG H . 16905 1 503 . 1 1 50 50 ARG HA H 1 4.0003 0.10 . 1 . . . . 50 ARG HA . 16905 1 504 . 1 1 50 50 ARG HB2 H 1 1.8700 0.10 . 2 . . . . 50 ARG HB2 . 16905 1 505 . 1 1 50 50 ARG HB3 H 1 1.6600 0.10 . 2 . . . . 50 ARG HB3 . 16905 1 506 . 1 1 50 50 ARG HD3 H 1 3.2400 0.10 . 2 . . . . 50 ARG HD3 . 16905 1 507 . 1 1 50 50 ARG C C 13 177.62 0.10 . 1 . . . . 50 ARG C . 16905 1 508 . 1 1 50 50 ARG CA C 13 58.440 0.60 . 1 . . . . 50 ARG CA . 16905 1 509 . 1 1 50 50 ARG CB C 13 30.930 0.60 . 1 . . . . 50 ARG CB . 16905 1 510 . 1 1 50 50 ARG CD C 13 43.050 0.60 . 1 . . . . 50 ARG CD . 16905 1 511 . 1 1 50 50 ARG CG C 13 28.050 0.60 . 1 . . . . 50 ARG CG . 16905 1 512 . 1 1 50 50 ARG N N 15 113.11 0.15 . 1 . . . . 50 ARG N . 16905 1 513 . 1 1 51 51 LYS H H 1 7.5563 0.01 . 1 . . . . 51 LYS H . 16905 1 514 . 1 1 51 51 LYS HA H 1 4.3203 0.10 . 1 . . . . 51 LYS HA . 16905 1 515 . 1 1 51 51 LYS HB2 H 1 1.7700 0.10 . 2 . . . . 51 LYS HB2 . 16905 1 516 . 1 1 51 51 LYS HE2 H 1 2.9200 0.10 . 2 . . . . 51 LYS HE2 . 16905 1 517 . 1 1 51 51 LYS HG2 H 1 1.3400 0.10 . 2 . . . . 51 LYS HG2 . 16905 1 518 . 1 1 51 51 LYS HG3 H 1 1.2400 0.10 . 2 . . . . 51 LYS HG3 . 16905 1 519 . 1 1 51 51 LYS C C 13 178.49 0.10 . 1 . . . . 51 LYS C . 16905 1 520 . 1 1 51 51 LYS CA C 13 57.190 0.60 . 1 . . . . 51 LYS CA . 16905 1 521 . 1 1 51 51 LYS CB C 13 35.310 0.60 . 1 . . . . 51 LYS CB . 16905 1 522 . 1 1 51 51 LYS CD C 13 29.300 0.60 . 1 . . . . 51 LYS CD . 16905 1 523 . 1 1 51 51 LYS CE C 13 41.800 0.60 . 1 . . . . 51 LYS CE . 16905 1 524 . 1 1 51 51 LYS CG C 13 24.930 0.60 . 1 . . . . 51 LYS CG . 16905 1 525 . 1 1 51 51 LYS N N 15 114.92 0.15 . 1 . . . . 51 LYS N . 16905 1 526 . 1 1 52 52 GLY H H 1 8.9243 0.01 . 1 . . . . 52 GLY H . 16905 1 527 . 1 1 52 52 GLY HA2 H 1 4.0003 0.10 . 2 . . . . 52 GLY HA2 . 16905 1 528 . 1 1 52 52 GLY C C 13 172.49 0.10 . 1 . . . . 52 GLY C . 16905 1 529 . 1 1 52 52 GLY CA C 13 45.310 0.60 . 1 . . . . 52 GLY CA . 16905 1 530 . 1 1 52 52 GLY N N 15 108.14 0.15 . 1 . . . . 52 GLY N . 16905 1 531 . 1 1 53 53 GLN H H 1 8.3343 0.01 . 1 . . . . 53 GLN H . 16905 1 532 . 1 1 53 53 GLN HA H 1 4.7403 0.10 . 1 . . . . 53 GLN HA . 16905 1 533 . 1 1 53 53 GLN HB2 H 1 1.8700 0.10 . 2 . . . . 53 GLN HB2 . 16905 1 534 . 1 1 53 53 GLN HE21 H 1 7.3409 0.01 . 2 . . . . 53 GLN HE21 . 16905 1 535 . 1 1 53 53 GLN HE22 H 1 6.7409 0.01 . 2 . . . . 53 GLN HE22 . 16905 1 536 . 1 1 53 53 GLN HG2 H 1 2.1900 0.10 . 2 . . . . 53 GLN HG2 . 16905 1 537 . 1 1 53 53 GLN HG3 H 1 2.2600 0.10 . 2 . . . . 53 GLN HG3 . 16905 1 538 . 1 1 53 53 GLN C C 13 173.57 0.10 . 1 . . . . 53 GLN C . 16905 1 539 . 1 1 53 53 GLN CA C 13 54.450 0.60 . 1 . . . . 53 GLN CA . 16905 1 540 . 1 1 53 53 GLN CB C 13 29.060 0.60 . 1 . . . . 53 GLN CB . 16905 1 541 . 1 1 53 53 GLN CG C 13 33.050 0.60 . 1 . . . . 53 GLN CG . 16905 1 542 . 1 1 53 53 GLN N N 15 120.47 0.15 . 1 . . . . 53 GLN N . 16905 1 543 . 1 1 53 53 GLN NE2 N 15 112.46 0.15 . 1 . . . . 53 GLN NE2 . 16905 1 544 . 1 1 54 54 PHE H H 1 7.1803 0.01 . 1 . . . . 54 PHE H . 16905 1 545 . 1 1 54 54 PHE HA H 1 4.4203 0.10 . 1 . . . . 54 PHE HA . 16905 1 546 . 1 1 54 54 PHE HB2 H 1 2.9400 0.10 . 1 . . . . 54 PHE HB2 . 16905 1 547 . 1 1 54 54 PHE HB3 H 1 2.7200 0.10 . 1 . . . . 54 PHE HB3 . 16905 1 548 . 1 1 54 54 PHE HD1 H 1 7.2000 0.05 . 3 . . . . 54 PHE HD1 . 16905 1 549 . 1 1 54 54 PHE HE1 H 1 7.0700 0.05 . 3 . . . . 54 PHE HE1 . 16905 1 550 . 1 1 54 54 PHE HZ H 1 7.0000 0.05 . 1 . . . . 54 PHE HZ . 16905 1 551 . 1 1 54 54 PHE C C 13 173.13 0.10 . 1 . . . . 54 PHE C . 16905 1 552 . 1 1 54 54 PHE CA C 13 55.310 0.60 . 1 . . . . 54 PHE CA . 16905 1 553 . 1 1 54 54 PHE CB C 13 39.060 0.60 . 1 . . . . 54 PHE CB . 16905 1 554 . 1 1 54 54 PHE CD1 C 13 130.10 0.55 . 3 . . . . 54 PHE CD1 . 16905 1 555 . 1 1 54 54 PHE CE1 C 13 130.13 0.55 . 3 . . . . 54 PHE CE1 . 16905 1 556 . 1 1 54 54 PHE CZ C 13 128.48 0.55 . 1 . . . . 54 PHE CZ . 16905 1 557 . 1 1 54 54 PHE N N 15 119.08 0.15 . 1 . . . . 54 PHE N . 16905 1 558 . 1 1 55 55 ASP H H 1 9.3283 0.01 . 1 . . . . 55 ASP H . 16905 1 559 . 1 1 55 55 ASP HA H 1 4.7403 0.10 . 1 . . . . 55 ASP HA . 16905 1 560 . 1 1 55 55 ASP HB2 H 1 2.7200 0.10 . 2 . . . . 55 ASP HB2 . 16905 1 561 . 1 1 55 55 ASP HB3 H 1 2.6200 0.10 . 2 . . . . 55 ASP HB3 . 16905 1 562 . 1 1 55 55 ASP C C 13 175.49 0.10 . 1 . . . . 55 ASP C . 16905 1 563 . 1 1 55 55 ASP CA C 13 57.190 0.60 . 1 . . . . 55 ASP CA . 16905 1 564 . 1 1 55 55 ASP CB C 13 45.310 0.60 . 1 . . . . 55 ASP CB . 16905 1 565 . 1 1 55 55 ASP N N 15 117.24 0.15 . 1 . . . . 55 ASP N . 16905 1 566 . 1 1 56 56 ILE H H 1 7.6813 0.01 . 1 . . . . 56 ILE H . 16905 1 567 . 1 1 56 56 ILE HA H 1 5.1703 0.10 . 1 . . . . 56 ILE HA . 16905 1 568 . 1 1 56 56 ILE HB H 1 1.6600 0.10 . 1 . . . . 56 ILE HB . 16905 1 569 . 1 1 56 56 ILE HD11 H 1 0.5600 0.10 . 1 . . . . 56 ILE MD . 16905 1 570 . 1 1 56 56 ILE HD12 H 1 0.5600 0.10 . 1 . . . . 56 ILE MD . 16905 1 571 . 1 1 56 56 ILE HD13 H 1 0.5600 0.10 . 1 . . . . 56 ILE MD . 16905 1 572 . 1 1 56 56 ILE HG12 H 1 1.2700 0.10 . 2 . . . . 56 ILE HG12 . 16905 1 573 . 1 1 56 56 ILE HG21 H 1 0.7300 0.10 . 1 . . . . 56 ILE MG . 16905 1 574 . 1 1 56 56 ILE HG22 H 1 0.7300 0.10 . 1 . . . . 56 ILE MG . 16905 1 575 . 1 1 56 56 ILE HG23 H 1 0.7300 0.10 . 1 . . . . 56 ILE MG . 16905 1 576 . 1 1 56 56 ILE C C 13 173.43 0.10 . 1 . . . . 56 ILE C . 16905 1 577 . 1 1 56 56 ILE CA C 13 59.060 0.60 . 1 . . . . 56 ILE CA . 16905 1 578 . 1 1 56 56 ILE CB C 13 43.430 0.60 . 1 . . . . 56 ILE CB . 16905 1 579 . 1 1 56 56 ILE CD1 C 13 15.310 0.60 . 1 . . . . 56 ILE CD1 . 16905 1 580 . 1 1 56 56 ILE CG1 C 13 27.430 0.60 . 1 . . . . 56 ILE CG1 . 16905 1 581 . 1 1 56 56 ILE CG2 C 13 18.680 0.60 . 1 . . . . 56 ILE CG2 . 16905 1 582 . 1 1 56 56 ILE N N 15 109.47 0.15 . 1 . . . . 56 ILE N . 16905 1 583 . 1 1 57 57 ALA H H 1 7.9983 0.01 . 1 . . . . 57 ALA H . 16905 1 584 . 1 1 57 57 ALA HA H 1 5.5203 0.10 . 1 . . . . 57 ALA HA . 16905 1 585 . 1 1 57 57 ALA HB1 H 1 1.0600 0.10 . 1 . . . . 57 ALA MB . 16905 1 586 . 1 1 57 57 ALA HB2 H 1 1.0600 0.10 . 1 . . . . 57 ALA MB . 16905 1 587 . 1 1 57 57 ALA HB3 H 1 1.0600 0.10 . 1 . . . . 57 ALA MB . 16905 1 588 . 1 1 57 57 ALA C C 13 174.71 0.10 . 1 . . . . 57 ALA C . 16905 1 589 . 1 1 57 57 ALA CA C 13 50.310 0.60 . 1 . . . . 57 ALA CA . 16905 1 590 . 1 1 57 57 ALA CB C 13 24.690 0.60 . 1 . . . . 57 ALA CB . 16905 1 591 . 1 1 57 57 ALA N N 15 122.30 0.15 . 1 . . . . 57 ALA N . 16905 1 592 . 1 1 58 58 ILE H H 1 8.6983 0.01 . 1 . . . . 58 ILE H . 16905 1 593 . 1 1 58 58 ILE HA H 1 4.5603 0.10 . 1 . . . . 58 ILE HA . 16905 1 594 . 1 1 58 58 ILE HB H 1 1.5900 0.10 . 1 . . . . 58 ILE HB . 16905 1 595 . 1 1 58 58 ILE HG12 H 1 1.2700 0.10 . 2 . . . . 58 ILE HG12 . 16905 1 596 . 1 1 58 58 ILE HG21 H 1 0.7400 0.10 . 4 . . . . 58 ILE MG . 16905 1 597 . 1 1 58 58 ILE HG22 H 1 0.7400 0.10 . 4 . . . . 58 ILE MG . 16905 1 598 . 1 1 58 58 ILE HG23 H 1 0.7400 0.10 . 4 . . . . 58 ILE MG . 16905 1 599 . 1 1 58 58 ILE C C 13 174.02 0.10 . 1 . . . . 58 ILE C . 16905 1 600 . 1 1 58 58 ILE CA C 13 60.940 0.60 . 1 . . . . 58 ILE CA . 16905 1 601 . 1 1 58 58 ILE CB C 13 40.310 0.60 . 1 . . . . 58 ILE CB . 16905 1 602 . 1 1 58 58 ILE CG1 C 13 26.800 0.60 . 1 . . . . 58 ILE CG1 . 16905 1 603 . 1 1 58 58 ILE N N 15 120.80 0.15 . 1 . . . . 58 ILE N . 16905 1 604 . 1 1 59 59 ILE H H 1 8.9543 0.01 . 1 . . . . 59 ILE H . 16905 1 605 . 1 1 59 59 ILE HA H 1 4.9903 0.10 . 1 . . . . 59 ILE HA . 16905 1 606 . 1 1 59 59 ILE HB H 1 1.5900 0.10 . 1 . . . . 59 ILE HB . 16905 1 607 . 1 1 59 59 ILE HD11 H 1 0.6300 0.10 . 4 . . . . 59 ILE MD . 16905 1 608 . 1 1 59 59 ILE HD12 H 1 0.6300 0.10 . 4 . . . . 59 ILE MD . 16905 1 609 . 1 1 59 59 ILE HD13 H 1 0.6300 0.10 . 4 . . . . 59 ILE MD . 16905 1 610 . 1 1 59 59 ILE HG12 H 1 1.2700 0.10 . 2 . . . . 59 ILE HG12 . 16905 1 611 . 1 1 59 59 ILE C C 13 174.82 0.10 . 1 . . . . 59 ILE C . 16905 1 612 . 1 1 59 59 ILE CA C 13 57.810 0.60 . 1 . . . . 59 ILE CA . 16905 1 613 . 1 1 59 59 ILE CB C 13 40.930 0.60 . 1 . . . . 59 ILE CB . 16905 1 614 . 1 1 59 59 ILE CG1 C 13 26.800 0.60 . 1 . . . . 59 ILE CG1 . 16905 1 615 . 1 1 59 59 ILE N N 15 123.00 0.15 . 1 . . . . 59 ILE N . 16905 1 616 . 1 1 60 60 ASP H H 1 8.3903 0.01 . 1 . . . . 60 ASP H . 16905 1 617 . 1 1 60 60 ASP HA H 1 5.2003 0.10 . 1 . . . . 60 ASP HA . 16905 1 618 . 1 1 60 60 ASP HB2 H 1 2.9700 0.10 . 2 . . . . 60 ASP HB2 . 16905 1 619 . 1 1 60 60 ASP C C 13 177.28 0.10 . 1 . . . . 60 ASP C . 16905 1 620 . 1 1 60 60 ASP CA C 13 54.060 0.60 . 1 . . . . 60 ASP CA . 16905 1 621 . 1 1 60 60 ASP CB C 13 40.930 0.60 . 1 . . . . 60 ASP CB . 16905 1 622 . 1 1 60 60 ASP N N 15 127.45 0.15 . 1 . . . . 60 ASP N . 16905 1 623 . 1 1 61 61 VAL H H 1 8.5343 0.01 . 1 . . . . 61 VAL H . 16905 1 624 . 1 1 61 61 VAL HA H 1 3.7103 0.10 . 1 . . . . 61 VAL HA . 16905 1 625 . 1 1 61 61 VAL HB H 1 1.9700 0.10 . 1 . . . . 61 VAL HB . 16905 1 626 . 1 1 61 61 VAL HG11 H 1 0.8500 0.10 . 2 . . . . 61 VAL MG1 . 16905 1 627 . 1 1 61 61 VAL HG12 H 1 0.8500 0.10 . 2 . . . . 61 VAL MG1 . 16905 1 628 . 1 1 61 61 VAL HG13 H 1 0.8500 0.10 . 2 . . . . 61 VAL MG1 . 16905 1 629 . 1 1 61 61 VAL HG21 H 1 0.7200 0.10 . 2 . . . . 61 VAL MG2 . 16905 1 630 . 1 1 61 61 VAL HG22 H 1 0.7200 0.10 . 2 . . . . 61 VAL MG2 . 16905 1 631 . 1 1 61 61 VAL HG23 H 1 0.7200 0.10 . 2 . . . . 61 VAL MG2 . 16905 1 632 . 1 1 61 61 VAL C C 13 175.68 0.10 . 1 . . . . 61 VAL C . 16905 1 633 . 1 1 61 61 VAL CA C 13 64.070 0.60 . 1 . . . . 61 VAL CA . 16905 1 634 . 1 1 61 61 VAL CB C 13 32.190 0.60 . 1 . . . . 61 VAL CB . 16905 1 635 . 1 1 61 61 VAL N N 15 121.03 0.15 . 1 . . . . 61 VAL N . 16905 1 636 . 1 1 62 62 ASN H H 1 8.7053 0.01 . 1 . . . . 62 ASN H . 16905 1 637 . 1 1 62 62 ASN HA H 1 5.2003 0.10 . 1 . . . . 62 ASN HA . 16905 1 638 . 1 1 62 62 ASN HB2 H 1 3.5000 0.10 . 2 . . . . 62 ASN HB2 . 16905 1 639 . 1 1 62 62 ASN HB3 H 1 2.4400 0.10 . 2 . . . . 62 ASN HB3 . 16905 1 640 . 1 1 62 62 ASN HD21 H 1 7.6009 0.01 . 2 . . . . 62 ASN HD21 . 16905 1 641 . 1 1 62 62 ASN HD22 H 1 6.8209 0.01 . 2 . . . . 62 ASN HD22 . 16905 1 642 . 1 1 62 62 ASN C C 13 173.00 0.10 . 1 . . . . 62 ASN C . 16905 1 643 . 1 1 62 62 ASN CA C 13 52.180 0.60 . 1 . . . . 62 ASN CA . 16905 1 644 . 1 1 62 62 ASN CB C 13 42.810 0.60 . 1 . . . . 62 ASN CB . 16905 1 645 . 1 1 62 62 ASN N N 15 120.83 0.15 . 1 . . . . 62 ASN N . 16905 1 646 . 1 1 62 62 ASN ND2 N 15 113.60 0.15 . 1 . . . . 62 ASN ND2 . 16905 1 647 . 1 1 63 63 LEU H H 1 8.9573 0.01 . 1 . . . . 63 LEU H . 16905 1 648 . 1 1 63 63 LEU HA H 1 4.4603 0.10 . 1 . . . . 63 LEU HA . 16905 1 649 . 1 1 63 63 LEU HB2 H 1 1.3800 0.10 . 2 . . . . 63 LEU HB2 . 16905 1 650 . 1 1 63 63 LEU HB3 H 1 1.5900 0.10 . 2 . . . . 63 LEU HB3 . 16905 1 651 . 1 1 63 63 LEU HD11 H 1 0.6200 0.10 . 2 . . . . 63 LEU MD1 . 16905 1 652 . 1 1 63 63 LEU HD12 H 1 0.6200 0.10 . 2 . . . . 63 LEU MD1 . 16905 1 653 . 1 1 63 63 LEU HD13 H 1 0.6200 0.10 . 2 . . . . 63 LEU MD1 . 16905 1 654 . 1 1 63 63 LEU C C 13 176.06 0.10 . 1 . . . . 63 LEU C . 16905 1 655 . 1 1 63 63 LEU CA C 13 53.430 0.60 . 1 . . . . 63 LEU CA . 16905 1 656 . 1 1 63 63 LEU CB C 13 44.680 0.60 . 1 . . . . 63 LEU CB . 16905 1 657 . 1 1 63 63 LEU CD1 C 13 24.300 0.60 . 2 . . . . 63 LEU CD1 . 16905 1 658 . 1 1 63 63 LEU CG C 13 26.800 0.60 . 1 . . . . 63 LEU CG . 16905 1 659 . 1 1 63 63 LEU N N 15 121.92 0.15 . 1 . . . . 63 LEU N . 16905 1 660 . 1 1 64 64 ASP H H 1 9.8513 0.01 . 1 . . . . 64 ASP H . 16905 1 661 . 1 1 64 64 ASP HA H 1 4.2403 0.10 . 1 . . . . 64 ASP HA . 16905 1 662 . 1 1 64 64 ASP HB2 H 1 3.1800 0.10 . 2 . . . . 64 ASP HB2 . 16905 1 663 . 1 1 64 64 ASP HB3 H 1 2.5800 0.10 . 2 . . . . 64 ASP HB3 . 16905 1 664 . 1 1 64 64 ASP C C 13 176.04 0.10 . 1 . . . . 64 ASP C . 16905 1 665 . 1 1 64 64 ASP CA C 13 54.690 0.60 . 1 . . . . 64 ASP CA . 16905 1 666 . 1 1 64 64 ASP CB C 13 40.310 0.60 . 1 . . . . 64 ASP CB . 16905 1 667 . 1 1 64 64 ASP N N 15 128.61 0.15 . 1 . . . . 64 ASP N . 16905 1 668 . 1 1 65 65 GLY H H 1 8.3823 0.01 . 1 . . . . 65 GLY H . 16905 1 669 . 1 1 65 65 GLY HA2 H 1 4.2103 0.10 . 2 . . . . 65 GLY HA2 . 16905 1 670 . 1 1 65 65 GLY HA3 H 1 3.6400 0.10 . 2 . . . . 65 GLY HA3 . 16905 1 671 . 1 1 65 65 GLY C C 13 174.02 0.10 . 1 . . . . 65 GLY C . 16905 1 672 . 1 1 65 65 GLY CA C 13 45.310 0.60 . 1 . . . . 65 GLY CA . 16905 1 673 . 1 1 65 65 GLY N N 15 102.68 0.15 . 1 . . . . 65 GLY N . 16905 1 674 . 1 1 66 66 GLU H H 1 7.7923 0.01 . 1 . . . . 66 GLU H . 16905 1 675 . 1 1 66 66 GLU HA H 1 4.9503 0.10 . 1 . . . . 66 GLU HA . 16905 1 676 . 1 1 66 66 GLU HB2 H 1 1.8700 0.10 . 2 . . . . 66 GLU HB2 . 16905 1 677 . 1 1 66 66 GLU HG2 H 1 1.4500 0.10 . 2 . . . . 66 GLU HG2 . 16905 1 678 . 1 1 66 66 GLU HG3 H 1 2.1900 0.10 . 2 . . . . 66 GLU HG3 . 16905 1 679 . 1 1 66 66 GLU C C 13 178.38 0.10 . 1 . . . . 66 GLU C . 16905 1 680 . 1 1 66 66 GLU CA C 13 52.810 0.60 . 1 . . . . 66 GLU CA . 16905 1 681 . 1 1 66 66 GLU CB C 13 31.560 0.60 . 1 . . . . 66 GLU CB . 16905 1 682 . 1 1 66 66 GLU N N 15 121.13 0.15 . 1 . . . . 66 GLU N . 16905 1 683 . 1 1 67 67 PRO HA H 1 4.7800 0.10 . 1 . . . . 67 PRO HA . 16905 1 684 . 1 1 67 67 PRO HB2 H 1 2.0400 0.10 . 2 . . . . 67 PRO HB2 . 16905 1 685 . 1 1 67 67 PRO HD2 H 1 3.8400 0.10 . 2 . . . . 67 PRO HD2 . 16905 1 686 . 1 1 67 67 PRO HG2 H 1 2.1900 0.10 . 2 . . . . 67 PRO HG2 . 16905 1 687 . 1 1 67 67 PRO C C 13 175.51 0.10 . 1 . . . . 67 PRO C . 16905 1 688 . 1 1 67 67 PRO CA C 13 62.190 0.60 . 1 . . . . 67 PRO CA . 16905 1 689 . 1 1 67 67 PRO CB C 13 32.810 0.60 . 1 . . . . 67 PRO CB . 16905 1 690 . 1 1 67 67 PRO CD C 13 50.550 0.60 . 1 . . . . 67 PRO CD . 16905 1 691 . 1 1 67 67 PRO CG C 13 28.050 0.60 . 1 . . . . 67 PRO CG . 16905 1 692 . 1 1 68 68 SER H H 1 7.9903 0.01 . 1 . . . . 68 SER H . 16905 1 693 . 1 1 68 68 SER HA H 1 4.6403 0.10 . 1 . . . . 68 SER HA . 16905 1 694 . 1 1 68 68 SER HB2 H 1 4.2100 0.10 . 2 . . . . 68 SER HB2 . 16905 1 695 . 1 1 68 68 SER C C 13 178.46 0.10 . 1 . . . . 68 SER C . 16905 1 696 . 1 1 68 68 SER CA C 13 57.810 0.60 . 1 . . . . 68 SER CA . 16905 1 697 . 1 1 68 68 SER CB C 13 63.440 0.60 . 1 . . . . 68 SER CB . 16905 1 698 . 1 1 68 68 SER N N 15 115.29 0.15 . 1 . . . . 68 SER N . 16905 1 699 . 1 1 69 69 TYR H H 1 6.4813 0.01 . 1 . . . . 69 TYR H . 16905 1 700 . 1 1 69 69 TYR HA H 1 4.4203 0.10 . 1 . . . . 69 TYR HA . 16905 1 701 . 1 1 69 69 TYR HB2 H 1 3.5400 0.05 . 2 . . . . 69 TYR HB2 . 16905 1 702 . 1 1 69 69 TYR HB3 H 1 3.0500 0.05 . 2 . . . . 69 TYR HB3 . 16905 1 703 . 1 1 69 69 TYR HD1 H 1 6.9700 0.05 . 3 . . . . 69 TYR HD1 . 16905 1 704 . 1 1 69 69 TYR HE1 H 1 6.7100 0.05 . 3 . . . . 69 TYR HE1 . 16905 1 705 . 1 1 69 69 TYR C C 13 184.78 0.10 . 1 . . . . 69 TYR C . 16905 1 706 . 1 1 69 69 TYR CA C 13 60.310 0.60 . 1 . . . . 69 TYR CA . 16905 1 707 . 1 1 69 69 TYR CB C 13 35.310 0.60 . 1 . . . . 69 TYR CB . 16905 1 708 . 1 1 69 69 TYR CD1 C 13 132.34 0.55 . 3 . . . . 69 TYR CD1 . 16905 1 709 . 1 1 69 69 TYR CE1 C 13 118.67 0.55 . 3 . . . . 69 TYR CE1 . 16905 1 710 . 1 1 69 69 TYR N N 15 119.97 0.15 . 1 . . . . 69 TYR N . 16905 1 711 . 1 1 70 70 PRO HA H 1 4.4500 0.10 . 1 . . . . 70 PRO HA . 16905 1 712 . 1 1 70 70 PRO HB2 H 1 2.3700 0.10 . 2 . . . . 70 PRO HB2 . 16905 1 713 . 1 1 70 70 PRO HB3 H 1 2.0400 0.10 . 2 . . . . 70 PRO HB3 . 16905 1 714 . 1 1 70 70 PRO C C 13 179.24 0.10 . 1 . . . . 70 PRO C . 16905 1 715 . 1 1 70 70 PRO CA C 13 66.560 0.60 . 1 . . . . 70 PRO CA . 16905 1 716 . 1 1 70 70 PRO CB C 13 32.180 0.60 . 1 . . . . 70 PRO CB . 16905 1 717 . 1 1 70 70 PRO CD C 13 50.550 0.60 . 1 . . . . 70 PRO CD . 16905 1 718 . 1 1 70 70 PRO CG C 13 28.680 0.60 . 1 . . . . 70 PRO CG . 16905 1 719 . 1 1 71 71 VAL H H 1 7.6383 0.01 . 1 . . . . 71 VAL H . 16905 1 720 . 1 1 71 71 VAL HA H 1 3.3603 0.10 . 1 . . . . 71 VAL HA . 16905 1 721 . 1 1 71 71 VAL HB H 1 2.0900 0.10 . 1 . . . . 71 VAL HB . 16905 1 722 . 1 1 71 71 VAL HG11 H 1 0.7100 0.10 . 2 . . . . 71 VAL MG1 . 16905 1 723 . 1 1 71 71 VAL HG12 H 1 0.7100 0.10 . 2 . . . . 71 VAL MG1 . 16905 1 724 . 1 1 71 71 VAL HG13 H 1 0.7100 0.10 . 2 . . . . 71 VAL MG1 . 16905 1 725 . 1 1 71 71 VAL C C 13 177.18 0.10 . 1 . . . . 71 VAL C . 16905 1 726 . 1 1 71 71 VAL CA C 13 65.310 0.60 . 1 . . . . 71 VAL CA . 16905 1 727 . 1 1 71 71 VAL CB C 13 32.180 0.60 . 1 . . . . 71 VAL CB . 16905 1 728 . 1 1 71 71 VAL CG1 C 13 21.180 0.60 . 2 . . . . 71 VAL CG1 . 16905 1 729 . 1 1 71 71 VAL CG2 C 13 23.050 0.60 . 2 . . . . 71 VAL CG2 . 16905 1 730 . 1 1 71 71 VAL N N 15 114.98 0.15 . 1 . . . . 71 VAL N . 16905 1 731 . 1 1 72 72 ALA H H 1 6.8863 0.01 . 1 . . . . 72 ALA H . 16905 1 732 . 1 1 72 72 ALA HA H 1 2.9403 0.10 . 1 . . . . 72 ALA HA . 16905 1 733 . 1 1 72 72 ALA HB1 H 1 1.1300 0.10 . 1 . . . . 72 ALA MB . 16905 1 734 . 1 1 72 72 ALA HB2 H 1 1.1300 0.10 . 1 . . . . 72 ALA MB . 16905 1 735 . 1 1 72 72 ALA HB3 H 1 1.1300 0.10 . 1 . . . . 72 ALA MB . 16905 1 736 . 1 1 72 72 ALA C C 13 178.35 0.10 . 1 . . . . 72 ALA C . 16905 1 737 . 1 1 72 72 ALA CA C 13 54.690 0.60 . 1 . . . . 72 ALA CA . 16905 1 738 . 1 1 72 72 ALA CB C 13 18.430 0.60 . 1 . . . . 72 ALA CB . 16905 1 739 . 1 1 72 72 ALA N N 15 121.95 0.15 . 1 . . . . 72 ALA N . 16905 1 740 . 1 1 73 73 ASP H H 1 8.6103 0.01 . 1 . . . . 73 ASP H . 16905 1 741 . 1 1 73 73 ASP HA H 1 4.4203 0.10 . 1 . . . . 73 ASP HA . 16905 1 742 . 1 1 73 73 ASP HB2 H 1 2.8900 0.10 . 1 . . . . 73 ASP HB2 . 16905 1 743 . 1 1 73 73 ASP HB3 H 1 2.7200 0.10 . 1 . . . . 73 ASP HB3 . 16905 1 744 . 1 1 73 73 ASP C C 13 179.71 0.10 . 1 . . . . 73 ASP C . 16905 1 745 . 1 1 73 73 ASP CA C 13 57.190 0.60 . 1 . . . . 73 ASP CA . 16905 1 746 . 1 1 73 73 ASP CB C 13 39.680 0.60 . 1 . . . . 73 ASP CB . 16905 1 747 . 1 1 73 73 ASP N N 15 116.00 0.15 . 1 . . . . 73 ASP N . 16905 1 748 . 1 1 74 74 ILE H H 1 7.0643 0.01 . 1 . . . . 74 ILE H . 16905 1 749 . 1 1 74 74 ILE HA H 1 3.7903 0.10 . 1 . . . . 74 ILE HA . 16905 1 750 . 1 1 74 74 ILE HB H 1 1.8700 0.10 . 1 . . . . 74 ILE HB . 16905 1 751 . 1 1 74 74 ILE HD11 H 1 0.9100 0.10 . 1 . . . . 74 ILE MD . 16905 1 752 . 1 1 74 74 ILE HD12 H 1 0.9100 0.10 . 1 . . . . 74 ILE MD . 16905 1 753 . 1 1 74 74 ILE HD13 H 1 0.9100 0.10 . 1 . . . . 74 ILE MD . 16905 1 754 . 1 1 74 74 ILE HG12 H 1 1.1400 0.10 . 2 . . . . 74 ILE HG12 . 16905 1 755 . 1 1 74 74 ILE HG21 H 1 0.7100 0.10 . 1 . . . . 74 ILE MG . 16905 1 756 . 1 1 74 74 ILE HG22 H 1 0.7100 0.10 . 1 . . . . 74 ILE MG . 16905 1 757 . 1 1 74 74 ILE HG23 H 1 0.7100 0.10 . 1 . . . . 74 ILE MG . 16905 1 758 . 1 1 74 74 ILE C C 13 178.00 0.10 . 1 . . . . 74 ILE C . 16905 1 759 . 1 1 74 74 ILE CA C 13 64.690 0.60 . 1 . . . . 74 ILE CA . 16905 1 760 . 1 1 74 74 ILE CB C 13 38.430 0.60 . 1 . . . . 74 ILE CB . 16905 1 761 . 1 1 74 74 ILE CD1 C 13 15.310 0.60 . 1 . . . . 74 ILE CD1 . 16905 1 762 . 1 1 74 74 ILE CG1 C 13 29.300 0.60 . 1 . . . . 74 ILE CG1 . 16905 1 763 . 1 1 74 74 ILE N N 15 120.95 0.15 . 1 . . . . 74 ILE N . 16905 1 764 . 1 1 75 75 LEU H H 1 7.4573 0.01 . 1 . . . . 75 LEU H . 16905 1 765 . 1 1 75 75 LEU HA H 1 3.7903 0.10 . 1 . . . . 75 LEU HA . 16905 1 766 . 1 1 75 75 LEU HB2 H 1 1.5600 0.10 . 1 . . . . 75 LEU HB2 . 16905 1 767 . 1 1 75 75 LEU HB3 H 1 1.8000 0.10 . 1 . . . . 75 LEU HB3 . 16905 1 768 . 1 1 75 75 LEU HD11 H 1 0.7400 0.10 . 2 . . . . 75 LEU MD1 . 16905 1 769 . 1 1 75 75 LEU HD12 H 1 0.7400 0.10 . 2 . . . . 75 LEU MD1 . 16905 1 770 . 1 1 75 75 LEU HD13 H 1 0.7400 0.10 . 2 . . . . 75 LEU MD1 . 16905 1 771 . 1 1 75 75 LEU C C 13 179.24 0.10 . 1 . . . . 75 LEU C . 16905 1 772 . 1 1 75 75 LEU CA C 13 58.440 0.60 . 1 . . . . 75 LEU CA . 16905 1 773 . 1 1 75 75 LEU CB C 13 40.310 0.60 . 1 . . . . 75 LEU CB . 16905 1 774 . 1 1 75 75 LEU CD1 C 13 23.050 0.60 . 2 . . . . 75 LEU CD1 . 16905 1 775 . 1 1 75 75 LEU CG C 13 26.800 0.60 . 1 . . . . 75 LEU CG . 16905 1 776 . 1 1 75 75 LEU N N 15 119.72 0.15 . 1 . . . . 75 LEU N . 16905 1 777 . 1 1 76 76 ALA H H 1 8.9083 0.01 . 1 . . . . 76 ALA H . 16905 1 778 . 1 1 76 76 ALA HA H 1 4.5303 0.10 . 1 . . . . 76 ALA HA . 16905 1 779 . 1 1 76 76 ALA HB1 H 1 1.7700 0.10 . 1 . . . . 76 ALA MB . 16905 1 780 . 1 1 76 76 ALA HB2 H 1 1.7700 0.10 . 1 . . . . 76 ALA MB . 16905 1 781 . 1 1 76 76 ALA HB3 H 1 1.7700 0.10 . 1 . . . . 76 ALA MB . 16905 1 782 . 1 1 76 76 ALA C C 13 182.36 0.10 . 1 . . . . 76 ALA C . 16905 1 783 . 1 1 76 76 ALA CA C 13 54.690 0.60 . 1 . . . . 76 ALA CA . 16905 1 784 . 1 1 76 76 ALA CB C 13 18.430 0.60 . 1 . . . . 76 ALA CB . 16905 1 785 . 1 1 76 76 ALA N N 15 121.13 0.15 . 1 . . . . 76 ALA N . 16905 1 786 . 1 1 77 77 GLU H H 1 7.7923 0.01 . 1 . . . . 77 GLU H . 16905 1 787 . 1 1 77 77 GLU HA H 1 4.1103 0.10 . 1 . . . . 77 GLU HA . 16905 1 788 . 1 1 77 77 GLU HB2 H 1 2.0900 0.10 . 2 . . . . 77 GLU HB2 . 16905 1 789 . 1 1 77 77 GLU HB3 H 1 1.7700 0.10 . 2 . . . . 77 GLU HB3 . 16905 1 790 . 1 1 77 77 GLU HG2 H 1 2.5100 0.10 . 2 . . . . 77 GLU HG2 . 16905 1 791 . 1 1 77 77 GLU HG3 H 1 2.3000 0.10 . 2 . . . . 77 GLU HG3 . 16905 1 792 . 1 1 77 77 GLU C C 13 178.29 0.10 . 1 . . . . 77 GLU C . 16905 1 793 . 1 1 77 77 GLU CA C 13 59.060 0.60 . 1 . . . . 77 GLU CA . 16905 1 794 . 1 1 77 77 GLU CB C 13 29.680 0.60 . 1 . . . . 77 GLU CB . 16905 1 795 . 1 1 77 77 GLU CG C 13 36.180 0.60 . 1 . . . . 77 GLU CG . 16905 1 796 . 1 1 77 77 GLU N N 15 120.37 0.15 . 1 . . . . 77 GLU N . 16905 1 797 . 1 1 78 78 ARG H H 1 7.7323 0.01 . 1 . . . . 78 ARG H . 16905 1 798 . 1 1 78 78 ARG HA H 1 4.3203 0.10 . 1 . . . . 78 ARG HA . 16905 1 799 . 1 1 78 78 ARG HB2 H 1 2.0900 0.10 . 1 . . . . 78 ARG HB2 . 16905 1 800 . 1 1 78 78 ARG HB3 H 1 1.7700 0.10 . 1 . . . . 78 ARG HB3 . 16905 1 801 . 1 1 78 78 ARG HG2 H 1 1.6500 0.10 . 2 . . . . 78 ARG HG2 . 16905 1 802 . 1 1 78 78 ARG C C 13 175.30 0.10 . 1 . . . . 78 ARG C . 16905 1 803 . 1 1 78 78 ARG CA C 13 56.560 0.60 . 1 . . . . 78 ARG CA . 16905 1 804 . 1 1 78 78 ARG CB C 13 30.930 0.60 . 1 . . . . 78 ARG CB . 16905 1 805 . 1 1 78 78 ARG CD C 13 44.300 0.60 . 1 . . . . 78 ARG CD . 16905 1 806 . 1 1 78 78 ARG CG C 13 27.430 0.60 . 1 . . . . 78 ARG CG . 16905 1 807 . 1 1 78 78 ARG N N 15 116.16 0.15 . 1 . . . . 78 ARG N . 16905 1 808 . 1 1 79 79 ASN H H 1 8.0543 0.01 . 1 . . . . 79 ASN H . 16905 1 809 . 1 1 79 79 ASN HA H 1 4.3203 0.10 . 1 . . . . 79 ASN HA . 16905 1 810 . 1 1 79 79 ASN HB2 H 1 3.1500 0.10 . 1 . . . . 79 ASN HB2 . 16905 1 811 . 1 1 79 79 ASN HB3 H 1 2.8300 0.10 . 1 . . . . 79 ASN HB3 . 16905 1 812 . 1 1 79 79 ASN HD21 H 1 7.4509 0.01 . 2 . . . . 79 ASN HD21 . 16905 1 813 . 1 1 79 79 ASN HD22 H 1 6.7809 0.01 . 2 . . . . 79 ASN HD22 . 16905 1 814 . 1 1 79 79 ASN C C 13 174.16 0.10 . 1 . . . . 79 ASN C . 16905 1 815 . 1 1 79 79 ASN CA C 13 54.060 0.60 . 1 . . . . 79 ASN CA . 16905 1 816 . 1 1 79 79 ASN CB C 13 37.180 0.60 . 1 . . . . 79 ASN CB . 16905 1 817 . 1 1 79 79 ASN N N 15 116.09 0.15 . 1 . . . . 79 ASN N . 16905 1 818 . 1 1 79 79 ASN ND2 N 15 111.90 0.15 . 1 . . . . 79 ASN ND2 . 16905 1 819 . 1 1 80 80 VAL H H 1 8.1923 0.01 . 1 . . . . 80 VAL H . 16905 1 820 . 1 1 80 80 VAL HA H 1 4.4203 0.10 . 1 . . . . 80 VAL HA . 16905 1 821 . 1 1 80 80 VAL HB H 1 1.9800 0.10 . 1 . . . . 80 VAL HB . 16905 1 822 . 1 1 80 80 VAL HG21 H 1 0.9200 0.10 . 2 . . . . 80 VAL MG2 . 16905 1 823 . 1 1 80 80 VAL HG22 H 1 0.9200 0.10 . 2 . . . . 80 VAL MG2 . 16905 1 824 . 1 1 80 80 VAL HG23 H 1 0.9200 0.10 . 2 . . . . 80 VAL MG2 . 16905 1 825 . 1 1 80 80 VAL C C 13 174.44 0.10 . 1 . . . . 80 VAL C . 16905 1 826 . 1 1 80 80 VAL CA C 13 60.310 0.60 . 1 . . . . 80 VAL CA . 16905 1 827 . 1 1 80 80 VAL CB C 13 33.430 0.60 . 1 . . . . 80 VAL CB . 16905 1 828 . 1 1 80 80 VAL CG1 C 13 22.200 0.60 . 2 . . . . 80 VAL CG1 . 16905 1 829 . 1 1 80 80 VAL N N 15 121.21 0.15 . 1 . . . . 80 VAL N . 16905 1 830 . 1 1 81 81 PRO HA H 1 4.3400 0.10 . 1 . . . . 81 PRO HA . 16905 1 831 . 1 1 81 81 PRO HB2 H 1 2.3700 0.10 . 2 . . . . 81 PRO HB2 . 16905 1 832 . 1 1 81 81 PRO HB3 H 1 2.0400 0.10 . 2 . . . . 81 PRO HB3 . 16905 1 833 . 1 1 81 81 PRO HD2 H 1 4.1200 0.10 . 2 . . . . 81 PRO HD2 . 16905 1 834 . 1 1 81 81 PRO HG2 H 1 1.8200 0.10 . 2 . . . . 81 PRO HG2 . 16905 1 835 . 1 1 81 81 PRO C C 13 175.06 0.10 . 1 . . . . 81 PRO C . 16905 1 836 . 1 1 81 81 PRO CA C 13 62.810 0.60 . 1 . . . . 81 PRO CA . 16905 1 837 . 1 1 81 81 PRO CB C 13 32.810 0.60 . 1 . . . . 81 PRO CB . 16905 1 838 . 1 1 81 81 PRO CD C 13 51.180 0.60 . 1 . . . . 81 PRO CD . 16905 1 839 . 1 1 81 81 PRO CG C 13 27.430 0.60 . 1 . . . . 81 PRO CG . 16905 1 840 . 1 1 82 82 PHE H H 1 7.3033 0.01 . 1 . . . . 82 PHE H . 16905 1 841 . 1 1 82 82 PHE HA H 1 5.5903 0.10 . 1 . . . . 82 PHE HA . 16905 1 842 . 1 1 82 82 PHE HB2 H 1 2.5100 0.10 . 1 . . . . 82 PHE HB2 . 16905 1 843 . 1 1 82 82 PHE HB3 H 1 2.8300 0.10 . 1 . . . . 82 PHE HB3 . 16905 1 844 . 1 1 82 82 PHE HD1 H 1 6.7200 0.05 . 3 . . . . 82 PHE HD1 . 16905 1 845 . 1 1 82 82 PHE HE1 H 1 7.1000 0.05 . 3 . . . . 82 PHE HE1 . 16905 1 846 . 1 1 82 82 PHE HZ H 1 7.2400 0.05 . 1 . . . . 82 PHE HZ . 16905 1 847 . 1 1 82 82 PHE C C 13 184.16 0.10 . 1 . . . . 82 PHE C . 16905 1 848 . 1 1 82 82 PHE CA C 13 54.690 0.60 . 1 . . . . 82 PHE CA . 16905 1 849 . 1 1 82 82 PHE CB C 13 42.810 0.60 . 1 . . . . 82 PHE CB . 16905 1 850 . 1 1 82 82 PHE CD1 C 13 132.10 0.55 . 3 . . . . 82 PHE CD1 . 16905 1 851 . 1 1 82 82 PHE CE1 C 13 130.17 0.55 . 3 . . . . 82 PHE CE1 . 16905 1 852 . 1 1 82 82 PHE CZ C 13 131.94 0.55 . 1 . . . . 82 PHE CZ . 16905 1 853 . 1 1 82 82 PHE N N 15 113.41 0.15 . 1 . . . . 82 PHE N . 16905 1 854 . 1 1 83 83 ILE H H 1 7.8773 0.01 . 1 . . . . 83 ILE H . 16905 1 855 . 1 1 83 83 ILE HA H 1 4.2103 0.10 . 1 . . . . 83 ILE HA . 16905 1 856 . 1 1 83 83 ILE HB H 1 1.5600 0.10 . 1 . . . . 83 ILE HB . 16905 1 857 . 1 1 83 83 ILE HG12 H 1 0.7100 0.10 . 2 . . . . 83 ILE HG12 . 16905 1 858 . 1 1 83 83 ILE C C 13 175.30 0.10 . 1 . . . . 83 ILE C . 16905 1 859 . 1 1 83 83 ILE CA C 13 58.810 0.60 . 1 . . . . 83 ILE CA . 16905 1 860 . 1 1 83 83 ILE CB C 13 42.850 0.60 . 1 . . . . 83 ILE CB . 16905 1 861 . 1 1 83 83 ILE CG1 C 13 27.430 0.60 . 1 . . . . 83 ILE CG1 . 16905 1 862 . 1 1 83 83 ILE CG2 C 13 18.050 0.60 . 1 . . . . 83 ILE CG2 . 16905 1 863 . 1 1 83 83 ILE N N 15 115.29 0.15 . 1 . . . . 83 ILE N . 16905 1 864 . 1 1 84 84 PHE H H 1 8.3583 0.01 . 1 . . . . 84 PHE H . 16905 1 865 . 1 1 84 84 PHE HA H 1 6.1203 0.10 . 1 . . . . 84 PHE HA . 16905 1 866 . 1 1 84 84 PHE HB2 H 1 2.8300 0.10 . 2 . . . . 84 PHE HB2 . 16905 1 867 . 1 1 84 84 PHE HB3 H 1 2.9600 0.10 . 2 . . . . 84 PHE HB3 . 16905 1 868 . 1 1 84 84 PHE HD1 H 1 7.3200 0.05 . 3 . . . . 84 PHE HD1 . 16905 1 869 . 1 1 84 84 PHE HE1 H 1 7.1200 0.05 . 3 . . . . 84 PHE HE1 . 16905 1 870 . 1 1 84 84 PHE HZ H 1 6.6300 0.05 . 1 . . . . 84 PHE HZ . 16905 1 871 . 1 1 84 84 PHE C C 13 175.51 0.10 . 1 . . . . 84 PHE C . 16905 1 872 . 1 1 84 84 PHE CA C 13 55.310 0.60 . 1 . . . . 84 PHE CA . 16905 1 873 . 1 1 84 84 PHE CB C 13 42.810 0.60 . 1 . . . . 84 PHE CB . 16905 1 874 . 1 1 84 84 PHE CD1 C 13 131.98 0.55 . 3 . . . . 84 PHE CD1 . 16905 1 875 . 1 1 84 84 PHE CE1 C 13 132.90 0.55 . 3 . . . . 84 PHE CE1 . 16905 1 876 . 1 1 84 84 PHE CZ C 13 128.10 0.55 . 1 . . . . 84 PHE CZ . 16905 1 877 . 1 1 84 84 PHE N N 15 122.73 0.15 . 1 . . . . 84 PHE N . 16905 1 878 . 1 1 85 85 ALA H H 1 8.6033 0.01 . 1 . . . . 85 ALA H . 16905 1 879 . 1 1 85 85 ALA HA H 1 5.5903 0.10 . 1 . . . . 85 ALA HA . 16905 1 880 . 1 1 85 85 ALA HB1 H 1 1.1300 0.10 . 1 . . . . 85 ALA MB . 16905 1 881 . 1 1 85 85 ALA HB2 H 1 1.1300 0.10 . 1 . . . . 85 ALA MB . 16905 1 882 . 1 1 85 85 ALA HB3 H 1 1.1300 0.10 . 1 . . . . 85 ALA MB . 16905 1 883 . 1 1 85 85 ALA C C 13 176.17 0.10 . 1 . . . . 85 ALA C . 16905 1 884 . 1 1 85 85 ALA CA C 13 49.680 0.60 . 1 . . . . 85 ALA CA . 16905 1 885 . 1 1 85 85 ALA CB C 13 20.310 0.60 . 1 . . . . 85 ALA CB . 16905 1 886 . 1 1 85 85 ALA N N 15 123.29 0.15 . 1 . . . . 85 ALA N . 16905 1 887 . 1 1 86 86 THR H H 1 8.6493 0.01 . 1 . . . . 86 THR H . 16905 1 888 . 1 1 86 86 THR HA H 1 4.3203 0.10 . 1 . . . . 86 THR HA . 16905 1 889 . 1 1 86 86 THR HB H 1 3.9200 0.10 . 1 . . . . 86 THR HB . 16905 1 890 . 1 1 86 86 THR HG21 H 1 1.5400 0.10 . 1 . . . . 86 THR MG . 16905 1 891 . 1 1 86 86 THR HG22 H 1 1.5400 0.10 . 1 . . . . 86 THR MG . 16905 1 892 . 1 1 86 86 THR HG23 H 1 1.5400 0.10 . 1 . . . . 86 THR MG . 16905 1 893 . 1 1 86 86 THR C C 13 173.03 0.10 . 1 . . . . 86 THR C . 16905 1 894 . 1 1 86 86 THR CA C 13 59.070 0.60 . 1 . . . . 86 THR CA . 16905 1 895 . 1 1 86 86 THR CB C 13 70.940 0.60 . 1 . . . . 86 THR CB . 16905 1 896 . 1 1 86 86 THR CG2 C 13 19.060 0.60 . 1 . . . . 86 THR CG2 . 16905 1 897 . 1 1 86 86 THR N N 15 114.27 0.15 . 1 . . . . 86 THR N . 16905 1 898 . 1 1 87 87 GLY H H 1 8.5833 0.01 . 1 . . . . 87 GLY H . 16905 1 899 . 1 1 87 87 GLY HA2 H 1 4.6403 0.10 . 2 . . . . 87 GLY HA2 . 16905 1 900 . 1 1 87 87 GLY HA3 H 1 3.8200 0.10 . 2 . . . . 87 GLY HA3 . 16905 1 901 . 1 1 87 87 GLY C C 13 174.16 0.10 . 1 . . . . 87 GLY C . 16905 1 902 . 1 1 87 87 GLY CA C 13 45.310 0.60 . 1 . . . . 87 GLY CA . 16905 1 903 . 1 1 87 87 GLY N N 15 112.85 0.15 . 1 . . . . 87 GLY N . 16905 1 904 . 1 1 88 88 TYR H H 1 8.5513 0.01 . 1 . . . . 88 TYR H . 16905 1 905 . 1 1 88 88 TYR HA H 1 4.6703 0.10 . 1 . . . . 88 TYR HA . 16905 1 906 . 1 1 88 88 TYR HB2 H 1 3.0500 0.10 . 2 . . . . 88 TYR HB2 . 16905 1 907 . 1 1 88 88 TYR HD1 H 1 7.1500 0.05 . 3 . . . . 88 TYR HD1 . 16905 1 908 . 1 1 88 88 TYR HE1 H 1 6.8700 0.05 . 3 . . . . 88 TYR HE1 . 16905 1 909 . 1 1 88 88 TYR C C 13 176.74 0.10 . 1 . . . . 88 TYR C . 16905 1 910 . 1 1 88 88 TYR CA C 13 58.440 0.60 . 1 . . . . 88 TYR CA . 16905 1 911 . 1 1 88 88 TYR CB C 13 38.430 0.60 . 1 . . . . 88 TYR CB . 16905 1 912 . 1 1 88 88 TYR CD1 C 13 132.89 0.55 . 3 . . . . 88 TYR CD1 . 16905 1 913 . 1 1 88 88 TYR CE1 C 13 118.12 0.55 . 3 . . . . 88 TYR CE1 . 16905 1 914 . 1 1 88 88 TYR N N 15 121.07 0.15 . 1 . . . . 88 TYR N . 16905 1 915 . 1 1 89 89 GLY H H 1 8.3143 0.01 . 1 . . . . 89 GLY H . 16905 1 916 . 1 1 89 89 GLY HA2 H 1 4.0003 0.10 . 2 . . . . 89 GLY HA2 . 16905 1 917 . 1 1 89 89 GLY C C 13 174.33 0.10 . 1 . . . . 89 GLY C . 16905 1 918 . 1 1 89 89 GLY CA C 13 45.310 0.60 . 1 . . . . 89 GLY CA . 16905 1 919 . 1 1 89 89 GLY N N 15 111.87 0.15 . 1 . . . . 89 GLY N . 16905 1 920 . 1 1 90 90 SER H H 1 8.0033 0.01 . 1 . . . . 90 SER H . 16905 1 921 . 1 1 90 90 SER HA H 1 4.6403 0.10 . 1 . . . . 90 SER HA . 16905 1 922 . 1 1 90 90 SER HB2 H 1 4.3200 0.10 . 2 . . . . 90 SER HB2 . 16905 1 923 . 1 1 90 90 SER HB3 H 1 3.8900 0.10 . 2 . . . . 90 SER HB3 . 16905 1 924 . 1 1 90 90 SER C C 13 174.78 0.10 . 1 . . . . 90 SER C . 16905 1 925 . 1 1 90 90 SER CA C 13 58.440 0.60 . 1 . . . . 90 SER CA . 16905 1 926 . 1 1 90 90 SER CB C 13 64.070 0.60 . 1 . . . . 90 SER CB . 16905 1 927 . 1 1 90 90 SER N N 15 115.26 0.15 . 1 . . . . 90 SER N . 16905 1 928 . 1 1 91 91 LYS H H 1 8.1843 0.01 . 1 . . . . 91 LYS H . 16905 1 929 . 1 1 91 91 LYS HA H 1 4.6403 0.10 . 1 . . . . 91 LYS HA . 16905 1 930 . 1 1 91 91 LYS HB2 H 1 1.7700 0.10 . 2 . . . . 91 LYS HB2 . 16905 1 931 . 1 1 91 91 LYS HB3 H 1 1.4500 0.10 . 2 . . . . 91 LYS HB3 . 16905 1 932 . 1 1 91 91 LYS HE2 H 1 3.0200 0.10 . 2 . . . . 91 LYS HE2 . 16905 1 933 . 1 1 91 91 LYS HG2 H 1 1.2400 0.10 . 2 . . . . 91 LYS HG2 . 16905 1 934 . 1 1 91 91 LYS C C 13 176.96 0.10 . 1 . . . . 91 LYS C . 16905 1 935 . 1 1 91 91 LYS CA C 13 56.560 0.60 . 1 . . . . 91 LYS CA . 16905 1 936 . 1 1 91 91 LYS CB C 13 32.810 0.60 . 1 . . . . 91 LYS CB . 16905 1 937 . 1 1 91 91 LYS CD C 13 29.300 0.60 . 1 . . . . 91 LYS CD . 16905 1 938 . 1 1 91 91 LYS CG C 13 24.300 0.60 . 1 . . . . 91 LYS CG . 16905 1 939 . 1 1 91 91 LYS N N 15 122.94 0.15 . 1 . . . . 91 LYS N . 16905 1 940 . 1 1 92 92 GLY H H 1 8.3233 0.01 . 1 . . . . 92 GLY H . 16905 1 941 . 1 1 92 92 GLY HA2 H 1 3.8903 0.10 . 2 . . . . 92 GLY HA2 . 16905 1 942 . 1 1 92 92 GLY C C 13 173.85 0.10 . 1 . . . . 92 GLY C . 16905 1 943 . 1 1 92 92 GLY CA C 13 45.310 0.60 . 1 . . . . 92 GLY CA . 16905 1 944 . 1 1 92 92 GLY N N 15 109.41 0.15 . 1 . . . . 92 GLY N . 16905 1 945 . 1 1 93 93 LEU H H 1 7.9153 0.01 . 1 . . . . 93 LEU H . 16905 1 946 . 1 1 93 93 LEU HA H 1 4.3203 0.10 . 1 . . . . 93 LEU HA . 16905 1 947 . 1 1 93 93 LEU HB2 H 1 1.5600 0.10 . 1 . . . . 93 LEU HB2 . 16905 1 948 . 1 1 93 93 LEU HB3 H 1 1.5900 0.10 . 1 . . . . 93 LEU HB3 . 16905 1 949 . 1 1 93 93 LEU HD11 H 1 0.7300 0.10 . 2 . . . . 93 LEU MD1 . 16905 1 950 . 1 1 93 93 LEU HD12 H 1 0.7300 0.10 . 2 . . . . 93 LEU MD1 . 16905 1 951 . 1 1 93 93 LEU HD13 H 1 0.7300 0.10 . 2 . . . . 93 LEU MD1 . 16905 1 952 . 1 1 93 93 LEU C C 13 177.17 0.10 . 1 . . . . 93 LEU C . 16905 1 953 . 1 1 93 93 LEU CA C 13 54.690 0.60 . 1 . . . . 93 LEU CA . 16905 1 954 . 1 1 93 93 LEU CB C 13 43.430 0.60 . 1 . . . . 93 LEU CB . 16905 1 955 . 1 1 93 93 LEU CD1 C 13 25.550 0.60 . 2 . . . . 93 LEU CD1 . 16905 1 956 . 1 1 93 93 LEU CD2 C 13 23.680 0.60 . 2 . . . . 93 LEU CD2 . 16905 1 957 . 1 1 93 93 LEU CG C 13 26.800 0.60 . 1 . . . . 93 LEU CG . 16905 1 958 . 1 1 93 93 LEU N N 15 121.75 0.15 . 1 . . . . 93 LEU N . 16905 1 959 . 1 1 94 94 ASP H H 1 7.6553 0.01 . 1 . . . . 94 ASP H . 16905 1 960 . 1 1 94 94 ASP HA H 1 4.4203 0.10 . 1 . . . . 94 ASP HA . 16905 1 961 . 1 1 94 94 ASP HB2 H 1 2.4100 0.10 . 1 . . . . 94 ASP HB2 . 16905 1 962 . 1 1 94 94 ASP HB3 H 1 2.7000 0.10 . 1 . . . . 94 ASP HB3 . 16905 1 963 . 1 1 94 94 ASP C C 13 177.49 0.10 . 1 . . . . 94 ASP C . 16905 1 964 . 1 1 94 94 ASP CA C 13 54.760 0.60 . 1 . . . . 94 ASP CA . 16905 1 965 . 1 1 94 94 ASP CB C 13 43.440 0.60 . 1 . . . . 94 ASP CB . 16905 1 966 . 1 1 94 94 ASP N N 15 122.74 0.15 . 1 . . . . 94 ASP N . 16905 1 967 . 1 1 95 95 THR H H 1 8.2143 0.01 . 1 . . . . 95 THR H . 16905 1 968 . 1 1 95 95 THR HA H 1 4.6403 0.10 . 1 . . . . 95 THR HA . 16905 1 969 . 1 1 95 95 THR C C 13 176.53 0.10 . 1 . . . . 95 THR C . 16905 1 970 . 1 1 95 95 THR CA C 13 64.690 0.60 . 1 . . . . 95 THR CA . 16905 1 971 . 1 1 95 95 THR CB C 13 69.060 0.60 . 1 . . . . 95 THR CB . 16905 1 972 . 1 1 95 95 THR CG2 C 13 21.180 0.60 . 1 . . . . 95 THR CG2 . 16905 1 973 . 1 1 95 95 THR N N 15 117.69 0.15 . 1 . . . . 95 THR N . 16905 1 974 . 1 1 96 96 ARG H H 1 8.7003 0.01 . 1 . . . . 96 ARG H . 16905 1 975 . 1 1 96 96 ARG HA H 1 4.6403 0.10 . 1 . . . . 96 ARG HA . 16905 1 976 . 1 1 96 96 ARG HB2 H 1 1.1300 0.10 . 1 . . . . 96 ARG HB2 . 16905 1 977 . 1 1 96 96 ARG HB3 H 1 1.4500 0.10 . 1 . . . . 96 ARG HB3 . 16905 1 978 . 1 1 96 96 ARG HD2 H 1 2.9200 0.10 . 2 . . . . 96 ARG HD2 . 16905 1 979 . 1 1 96 96 ARG C C 13 176.88 0.10 . 1 . . . . 96 ARG C . 16905 1 980 . 1 1 96 96 ARG CA C 13 58.440 0.60 . 1 . . . . 96 ARG CA . 16905 1 981 . 1 1 96 96 ARG CB C 13 29.680 0.60 . 1 . . . . 96 ARG CB . 16905 1 982 . 1 1 96 96 ARG CD C 13 43.680 0.60 . 1 . . . . 96 ARG CD . 16905 1 983 . 1 1 96 96 ARG CG C 13 26.180 0.60 . 1 . . . . 96 ARG CG . 16905 1 984 . 1 1 96 96 ARG N N 15 122.35 0.15 . 1 . . . . 96 ARG N . 16905 1 985 . 1 1 97 97 TYR H H 1 8.0003 0.01 . 1 . . . . 97 TYR H . 16905 1 986 . 1 1 97 97 TYR HA H 1 4.9503 0.10 . 1 . . . . 97 TYR HA . 16905 1 987 . 1 1 97 97 TYR HB2 H 1 2.7200 0.10 . 1 . . . . 97 TYR HB2 . 16905 1 988 . 1 1 97 97 TYR HB3 H 1 3.7900 0.10 . 1 . . . . 97 TYR HB3 . 16905 1 989 . 1 1 97 97 TYR HD1 H 1 7.0200 0.05 . 3 . . . . 97 TYR HD1 . 16905 1 990 . 1 1 97 97 TYR HE1 H 1 6.5700 0.05 . 3 . . . . 97 TYR HE1 . 16905 1 991 . 1 1 97 97 TYR C C 13 176.60 0.10 . 1 . . . . 97 TYR C . 16905 1 992 . 1 1 97 97 TYR CA C 13 56.560 0.60 . 1 . . . . 97 TYR CA . 16905 1 993 . 1 1 97 97 TYR CB C 13 38.430 0.60 . 1 . . . . 97 TYR CB . 16905 1 994 . 1 1 97 97 TYR CD1 C 13 132.34 0.55 . 3 . . . . 97 TYR CD1 . 16905 1 995 . 1 1 97 97 TYR CE1 C 13 118.12 0.55 . 3 . . . . 97 TYR CE1 . 16905 1 996 . 1 1 97 97 TYR N N 15 117.12 0.15 . 1 . . . . 97 TYR N . 16905 1 997 . 1 1 98 98 SER H H 1 7.5783 0.01 . 1 . . . . 98 SER H . 16905 1 998 . 1 1 98 98 SER HA H 1 4.2103 0.10 . 1 . . . . 98 SER HA . 16905 1 999 . 1 1 98 98 SER HB2 H 1 3.8900 0.10 . 1 . . . . 98 SER HB2 . 16905 1 1000 . 1 1 98 98 SER HB3 H 1 3.5700 0.10 . 1 . . . . 98 SER HB3 . 16905 1 1001 . 1 1 98 98 SER C C 13 174.40 0.10 . 1 . . . . 98 SER C . 16905 1 1002 . 1 1 98 98 SER CA C 13 61.490 0.60 . 1 . . . . 98 SER CA . 16905 1 1003 . 1 1 98 98 SER CB C 13 63.440 0.60 . 1 . . . . 98 SER CB . 16905 1 1004 . 1 1 98 98 SER N N 15 114.75 0.15 . 1 . . . . 98 SER N . 16905 1 1005 . 1 1 99 99 ASN H H 1 8.6063 0.01 . 1 . . . . 99 ASN H . 16905 1 1006 . 1 1 99 99 ASN HA H 1 4.7403 0.10 . 1 . . . . 99 ASN HA . 16905 1 1007 . 1 1 99 99 ASN HB2 H 1 2.6200 0.10 . 1 . . . . 99 ASN HB2 . 16905 1 1008 . 1 1 99 99 ASN HB3 H 1 2.8300 0.10 . 1 . . . . 99 ASN HB3 . 16905 1 1009 . 1 1 99 99 ASN HD21 H 1 7.4809 0.01 . 2 . . . . 99 ASN HD21 . 16905 1 1010 . 1 1 99 99 ASN HD22 H 1 6.8009 0.01 . 2 . . . . 99 ASN HD22 . 16905 1 1011 . 1 1 99 99 ASN C C 13 174.71 0.10 . 1 . . . . 99 ASN C . 16905 1 1012 . 1 1 99 99 ASN CA C 13 53.280 0.60 . 1 . . . . 99 ASN CA . 16905 1 1013 . 1 1 99 99 ASN CB C 13 37.810 0.60 . 1 . . . . 99 ASN CB . 16905 1 1014 . 1 1 99 99 ASN N N 15 117.24 0.15 . 1 . . . . 99 ASN N . 16905 1 1015 . 1 1 99 99 ASN ND2 N 15 112.89 0.15 . 1 . . . . 99 ASN ND2 . 16905 1 1016 . 1 1 100 100 ILE H H 1 7.5183 0.01 . 1 . . . . 100 ILE H . 16905 1 1017 . 1 1 100 100 ILE HA H 1 4.2103 0.10 . 1 . . . . 100 ILE HA . 16905 1 1018 . 1 1 100 100 ILE HB H 1 2.3000 0.10 . 1 . . . . 100 ILE HB . 16905 1 1019 . 1 1 100 100 ILE HD11 H 1 0.3900 0.10 . 1 . . . . 100 ILE MD . 16905 1 1020 . 1 1 100 100 ILE HD12 H 1 0.3900 0.10 . 1 . . . . 100 ILE MD . 16905 1 1021 . 1 1 100 100 ILE HD13 H 1 0.3900 0.10 . 1 . . . . 100 ILE MD . 16905 1 1022 . 1 1 100 100 ILE HG12 H 1 1.4500 0.10 . 2 . . . . 100 ILE HG12 . 16905 1 1023 . 1 1 100 100 ILE HG13 H 1 1.3400 0.10 . 2 . . . . 100 ILE HG13 . 16905 1 1024 . 1 1 100 100 ILE HG21 H 1 0.7100 0.10 . 1 . . . . 100 ILE MG . 16905 1 1025 . 1 1 100 100 ILE HG22 H 1 0.7100 0.10 . 1 . . . . 100 ILE MG . 16905 1 1026 . 1 1 100 100 ILE HG23 H 1 0.7100 0.10 . 1 . . . . 100 ILE MG . 16905 1 1027 . 1 1 100 100 ILE CA C 13 56.560 0.60 . 1 . . . . 100 ILE CA . 16905 1 1028 . 1 1 100 100 ILE CB C 13 37.180 0.60 . 1 . . . . 100 ILE CB . 16905 1 1029 . 1 1 100 100 ILE CD1 C 13 9.0700 0.60 . 1 . . . . 100 ILE CD1 . 16905 1 1030 . 1 1 100 100 ILE CG1 C 13 26.560 0.60 . 1 . . . . 100 ILE CG1 . 16905 1 1031 . 1 1 100 100 ILE CG2 C 13 9.0700 0.60 . 1 . . . . 100 ILE CG2 . 16905 1 1032 . 1 1 100 100 ILE N N 15 124.21 0.15 . 1 . . . . 100 ILE N . 16905 1 1033 . 1 1 101 101 PRO HA H 1 4.3400 0.10 . 1 . . . . 101 PRO HA . 16905 1 1034 . 1 1 101 101 PRO HB2 H 1 2.3700 0.10 . 2 . . . . 101 PRO HB2 . 16905 1 1035 . 1 1 101 101 PRO HB3 H 1 1.7100 0.10 . 4 . . . . 101 PRO HB3 . 16905 1 1036 . 1 1 101 101 PRO HD2 H 1 3.6100 0.10 . 2 . . . . 101 PRO HD2 . 16905 1 1037 . 1 1 101 101 PRO C C 13 173.88 0.10 . 1 . . . . 101 PRO C . 16905 1 1038 . 1 1 101 101 PRO CA C 13 64.070 0.60 . 1 . . . . 101 PRO CA . 16905 1 1039 . 1 1 101 101 PRO CB C 13 32.810 0.60 . 1 . . . . 101 PRO CB . 16905 1 1040 . 1 1 101 101 PRO CD C 13 50.550 0.60 . 1 . . . . 101 PRO CD . 16905 1 1041 . 1 1 101 101 PRO CG C 13 28.050 0.60 . 1 . . . . 101 PRO CG . 16905 1 1042 . 1 1 102 102 LEU H H 1 7.8723 0.01 . 1 . . . . 102 LEU H . 16905 1 1043 . 1 1 102 102 LEU HA H 1 4.9103 0.10 . 1 . . . . 102 LEU HA . 16905 1 1044 . 1 1 102 102 LEU HB2 H 1 1.5900 0.10 . 1 . . . . 102 LEU HB2 . 16905 1 1045 . 1 1 102 102 LEU HB3 H 1 1.5600 0.10 . 1 . . . . 102 LEU HB3 . 16905 1 1046 . 1 1 102 102 LEU HD11 H 1 0.3400 0.10 . 2 . . . . 102 LEU MD1 . 16905 1 1047 . 1 1 102 102 LEU HD12 H 1 0.3400 0.10 . 2 . . . . 102 LEU MD1 . 16905 1 1048 . 1 1 102 102 LEU HD13 H 1 0.3400 0.10 . 2 . . . . 102 LEU MD1 . 16905 1 1049 . 1 1 102 102 LEU C C 13 176.24 0.10 . 1 . . . . 102 LEU C . 16905 1 1050 . 1 1 102 102 LEU CA C 13 53.440 0.60 . 1 . . . . 102 LEU CA . 16905 1 1051 . 1 1 102 102 LEU CB C 13 45.310 0.60 . 1 . . . . 102 LEU CB . 16905 1 1052 . 1 1 102 102 LEU CD1 C 13 24.930 0.60 . 2 . . . . 102 LEU CD1 . 16905 1 1053 . 1 1 102 102 LEU CG C 13 26.800 0.60 . 1 . . . . 102 LEU CG . 16905 1 1054 . 1 1 102 102 LEU N N 15 121.04 0.15 . 1 . . . . 102 LEU N . 16905 1 1055 . 1 1 103 103 LEU H H 1 9.0853 0.01 . 1 . . . . 103 LEU H . 16905 1 1056 . 1 1 103 103 LEU HA H 1 4.5303 0.10 . 1 . . . . 103 LEU HA . 16905 1 1057 . 1 1 103 103 LEU HB3 H 1 1.4500 0.10 . 1 . . . . 103 LEU HB3 . 16905 1 1058 . 1 1 103 103 LEU HD11 H 1 0.4000 0.10 . 2 . . . . 103 LEU MD1 . 16905 1 1059 . 1 1 103 103 LEU HD12 H 1 0.4000 0.10 . 2 . . . . 103 LEU MD1 . 16905 1 1060 . 1 1 103 103 LEU HD13 H 1 0.4000 0.10 . 2 . . . . 103 LEU MD1 . 16905 1 1061 . 1 1 103 103 LEU HD21 H 1 1.1300 0.10 . 2 . . . . 103 LEU MD2 . 16905 1 1062 . 1 1 103 103 LEU HD22 H 1 1.1300 0.10 . 2 . . . . 103 LEU MD2 . 16905 1 1063 . 1 1 103 103 LEU HD23 H 1 1.1300 0.10 . 2 . . . . 103 LEU MD2 . 16905 1 1064 . 1 1 103 103 LEU C C 13 175.65 0.10 . 1 . . . . 103 LEU C . 16905 1 1065 . 1 1 103 103 LEU CA C 13 53.440 0.60 . 1 . . . . 103 LEU CA . 16905 1 1066 . 1 1 103 103 LEU CB C 13 45.310 0.60 . 1 . . . . 103 LEU CB . 16905 1 1067 . 1 1 103 103 LEU CD1 C 13 24.300 0.60 . 2 . . . . 103 LEU CD1 . 16905 1 1068 . 1 1 103 103 LEU CG C 13 26.800 0.60 . 1 . . . . 103 LEU CG . 16905 1 1069 . 1 1 103 103 LEU N N 15 126.88 0.15 . 1 . . . . 103 LEU N . 16905 1 1070 . 1 1 104 104 THR H H 1 8.4563 0.01 . 1 . . . . 104 THR H . 16905 1 1071 . 1 1 104 104 THR HA H 1 4.7403 0.10 . 1 . . . . 104 THR HA . 16905 1 1072 . 1 1 104 104 THR HB H 1 4.0000 0.10 . 1 . . . . 104 THR HB . 16905 1 1073 . 1 1 104 104 THR HG21 H 1 1.1300 0.10 . 1 . . . . 104 THR MG . 16905 1 1074 . 1 1 104 104 THR HG22 H 1 1.1300 0.10 . 1 . . . . 104 THR MG . 16905 1 1075 . 1 1 104 104 THR HG23 H 1 1.1300 0.10 . 1 . . . . 104 THR MG . 16905 1 1076 . 1 1 104 104 THR C C 13 173.60 0.10 . 1 . . . . 104 THR C . 16905 1 1077 . 1 1 104 104 THR CA C 13 61.560 0.60 . 1 . . . . 104 THR CA . 16905 1 1078 . 1 1 104 104 THR CB C 13 69.690 0.60 . 1 . . . . 104 THR CB . 16905 1 1079 . 1 1 104 104 THR N N 15 118.64 0.15 . 1 . . . . 104 THR N . 16905 1 1080 . 1 1 105 105 LYS H H 1 8.1143 0.01 . 1 . . . . 105 LYS H . 16905 1 1081 . 1 1 105 105 LYS HA H 1 4.3203 0.10 . 1 . . . . 105 LYS HA . 16905 1 1082 . 1 1 105 105 LYS HB2 H 1 1.8700 0.10 . 2 . . . . 105 LYS HB2 . 16905 1 1083 . 1 1 105 105 LYS HD2 H 1 2.1900 0.10 . 2 . . . . 105 LYS HD2 . 16905 1 1084 . 1 1 105 105 LYS HG2 H 1 1.5600 0.10 . 2 . . . . 105 LYS HG2 . 16905 1 1085 . 1 1 105 105 LYS C C 13 174.93 0.10 . 1 . . . . 105 LYS C . 16905 1 1086 . 1 1 105 105 LYS CA C 13 53.710 0.60 . 1 . . . . 105 LYS CA . 16905 1 1087 . 1 1 105 105 LYS CB C 13 33.440 0.60 . 1 . . . . 105 LYS CB . 16905 1 1088 . 1 1 105 105 LYS N N 15 121.37 0.15 . 1 . . . . 105 LYS N . 16905 1 1089 . 1 1 107 107 PHE HD1 H 1 7.3200 0.05 . 3 . . . . 107 PHE HD1 . 16905 1 1090 . 1 1 107 107 PHE HE1 H 1 7.2600 0.05 . 3 . . . . 107 PHE HE1 . 16905 1 1091 . 1 1 107 107 PHE HZ H 1 7.3600 0.05 . 1 . . . . 107 PHE HZ . 16905 1 1092 . 1 1 107 107 PHE CD1 C 13 130.21 0.55 . 3 . . . . 107 PHE CD1 . 16905 1 1093 . 1 1 107 107 PHE CE1 C 13 131.21 0.55 . 3 . . . . 107 PHE CE1 . 16905 1 1094 . 1 1 107 107 PHE CZ C 13 131.63 0.55 . 1 . . . . 107 PHE CZ . 16905 1 1095 . 1 1 108 108 LEU CD1 C 13 21.180 0.60 . 2 . . . . 108 LEU CD1 . 16905 1 1096 . 1 1 109 109 ASP H H 1 9.1223 0.01 . 1 . . . . 109 ASP H . 16905 1 1097 . 1 1 109 109 ASP HA H 1 4.6800 0.10 . 1 . . . . 109 ASP HA . 16905 1 1098 . 1 1 109 109 ASP HB2 H 1 2.8100 0.10 . 2 . . . . 109 ASP HB2 . 16905 1 1099 . 1 1 109 109 ASP HB3 H 1 3.1400 0.10 . 2 . . . . 109 ASP HB3 . 16905 1 1100 . 1 1 109 109 ASP CA C 13 53.670 0.60 . 1 . . . . 109 ASP CA . 16905 1 1101 . 1 1 109 109 ASP CB C 13 41.560 0.60 . 1 . . . . 109 ASP CB . 16905 1 1102 . 1 1 109 109 ASP N N 15 124.83 0.15 . 1 . . . . 109 ASP N . 16905 1 1103 . 1 1 110 110 SER H H 1 8.6643 0.01 . 1 . . . . 110 SER H . 16905 1 1104 . 1 1 110 110 SER HA H 1 4.2403 0.10 . 1 . . . . 110 SER HA . 16905 1 1105 . 1 1 110 110 SER HB2 H 1 3.9200 0.10 . 2 . . . . 110 SER HB2 . 16905 1 1106 . 1 1 110 110 SER C C 13 177.49 0.10 . 1 . . . . 110 SER C . 16905 1 1107 . 1 1 110 110 SER CA C 13 60.700 0.60 . 1 . . . . 110 SER CA . 16905 1 1108 . 1 1 110 110 SER CB C 13 62.190 0.60 . 1 . . . . 110 SER CB . 16905 1 1109 . 1 1 110 110 SER N N 15 114.26 0.15 . 1 . . . . 110 SER N . 16905 1 1110 . 1 1 111 111 GLU H H 1 7.4543 0.01 . 1 . . . . 111 GLU H . 16905 1 1111 . 1 1 111 111 GLU HA H 1 4.1003 0.10 . 1 . . . . 111 GLU HA . 16905 1 1112 . 1 1 111 111 GLU HG3 H 1 2.4100 0.10 . 2 . . . . 111 GLU HG3 . 16905 1 1113 . 1 1 111 111 GLU C C 13 178.78 0.10 . 1 . . . . 111 GLU C . 16905 1 1114 . 1 1 111 111 GLU CA C 13 59.070 0.60 . 1 . . . . 111 GLU CA . 16905 1 1115 . 1 1 111 111 GLU CB C 13 30.310 0.60 . 1 . . . . 111 GLU CB . 16905 1 1116 . 1 1 111 111 GLU CG C 13 36.800 0.60 . 1 . . . . 111 GLU CG . 16905 1 1117 . 1 1 111 111 GLU N N 15 123.54 0.15 . 1 . . . . 111 GLU N . 16905 1 1118 . 1 1 112 112 LEU H H 1 7.6583 0.01 . 1 . . . . 112 LEU H . 16905 1 1119 . 1 1 112 112 LEU HA H 1 4.0003 0.10 . 1 . . . . 112 LEU HA . 16905 1 1120 . 1 1 112 112 LEU HB2 H 1 1.8700 0.10 . 2 . . . . 112 LEU HB2 . 16905 1 1121 . 1 1 112 112 LEU HD11 H 1 0.7300 0.10 . 2 . . . . 112 LEU MD1 . 16905 1 1122 . 1 1 112 112 LEU HD12 H 1 0.7300 0.10 . 2 . . . . 112 LEU MD1 . 16905 1 1123 . 1 1 112 112 LEU HD13 H 1 0.7300 0.10 . 2 . . . . 112 LEU MD1 . 16905 1 1124 . 1 1 112 112 LEU HG H 1 1.3400 0.10 . 1 . . . . 112 LEU HG . 16905 1 1125 . 1 1 112 112 LEU C C 13 177.74 0.10 . 1 . . . . 112 LEU C . 16905 1 1126 . 1 1 112 112 LEU CA C 13 57.810 0.60 . 1 . . . . 112 LEU CA . 16905 1 1127 . 1 1 112 112 LEU CB C 13 40.930 0.60 . 1 . . . . 112 LEU CB . 16905 1 1128 . 1 1 112 112 LEU CD1 C 13 23.050 0.60 . 2 . . . . 112 LEU CD1 . 16905 1 1129 . 1 1 112 112 LEU CG C 13 27.420 0.60 . 1 . . . . 112 LEU CG . 16905 1 1130 . 1 1 112 112 LEU N N 15 120.20 0.15 . 1 . . . . 112 LEU N . 16905 1 1131 . 1 1 113 113 GLU H H 1 8.5263 0.01 . 1 . . . . 113 GLU H . 16905 1 1132 . 1 1 113 113 GLU HA H 1 3.7903 0.10 . 1 . . . . 113 GLU HA . 16905 1 1133 . 1 1 113 113 GLU HB2 H 1 2.0400 0.10 . 2 . . . . 113 GLU HB2 . 16905 1 1134 . 1 1 113 113 GLU HG2 H 1 2.2600 0.10 . 2 . . . . 113 GLU HG2 . 16905 1 1135 . 1 1 113 113 GLU C C 13 177.66 0.10 . 1 . . . . 113 GLU C . 16905 1 1136 . 1 1 113 113 GLU CA C 13 60.320 0.60 . 1 . . . . 113 GLU CA . 16905 1 1137 . 1 1 113 113 GLU CB C 13 29.690 0.60 . 1 . . . . 113 GLU CB . 16905 1 1138 . 1 1 113 113 GLU CG C 13 35.550 0.60 . 1 . . . . 113 GLU CG . 16905 1 1139 . 1 1 113 113 GLU N N 15 118.39 0.15 . 1 . . . . 113 GLU N . 16905 1 1140 . 1 1 114 114 ALA H H 1 7.4883 0.01 . 1 . . . . 114 ALA H . 16905 1 1141 . 1 1 114 114 ALA HA H 1 4.1003 0.10 . 1 . . . . 114 ALA HA . 16905 1 1142 . 1 1 114 114 ALA HB1 H 1 1.5600 0.10 . 1 . . . . 114 ALA MB . 16905 1 1143 . 1 1 114 114 ALA HB2 H 1 1.5600 0.10 . 1 . . . . 114 ALA MB . 16905 1 1144 . 1 1 114 114 ALA HB3 H 1 1.5600 0.10 . 1 . . . . 114 ALA MB . 16905 1 1145 . 1 1 114 114 ALA C C 13 181.10 0.10 . 1 . . . . 114 ALA C . 16905 1 1146 . 1 1 114 114 ALA CA C 13 55.320 0.60 . 1 . . . . 114 ALA CA . 16905 1 1147 . 1 1 114 114 ALA CB C 13 18.440 0.60 . 1 . . . . 114 ALA CB . 16905 1 1148 . 1 1 114 114 ALA N N 15 117.70 0.15 . 1 . . . . 114 ALA N . 16905 1 1149 . 1 1 115 115 VAL H H 1 7.5423 0.01 . 1 . . . . 115 VAL H . 16905 1 1150 . 1 1 115 115 VAL HA H 1 4.0003 0.10 . 1 . . . . 115 VAL HA . 16905 1 1151 . 1 1 115 115 VAL HB H 1 2.0500 0.10 . 1 . . . . 115 VAL HB . 16905 1 1152 . 1 1 115 115 VAL HG11 H 1 1.0300 0.10 . 2 . . . . 115 VAL MG1 . 16905 1 1153 . 1 1 115 115 VAL HG12 H 1 1.0300 0.10 . 2 . . . . 115 VAL MG1 . 16905 1 1154 . 1 1 115 115 VAL HG13 H 1 1.0300 0.10 . 2 . . . . 115 VAL MG1 . 16905 1 1155 . 1 1 115 115 VAL C C 13 177.66 0.10 . 1 . . . . 115 VAL C . 16905 1 1156 . 1 1 115 115 VAL CA C 13 65.320 0.60 . 1 . . . . 115 VAL CA . 16905 1 1157 . 1 1 115 115 VAL CB C 13 31.750 0.60 . 1 . . . . 115 VAL CB . 16905 1 1158 . 1 1 115 115 VAL CG1 C 13 21.800 0.60 . 2 . . . . 115 VAL CG1 . 16905 1 1159 . 1 1 115 115 VAL N N 15 115.95 0.15 . 1 . . . . 115 VAL N . 16905 1 1160 . 1 1 116 116 LEU H H 1 8.0503 0.01 . 1 . . . . 116 LEU H . 16905 1 1161 . 1 1 116 116 LEU HA H 1 4.3203 0.10 . 1 . . . . 116 LEU HA . 16905 1 1162 . 1 1 116 116 LEU HB2 H 1 1.7700 0.10 . 1 . . . . 116 LEU HB2 . 16905 1 1163 . 1 1 116 116 LEU HB3 H 1 1.4700 0.10 . 1 . . . . 116 LEU HB3 . 16905 1 1164 . 1 1 116 116 LEU C C 13 180.13 0.10 . 1 . . . . 116 LEU C . 16905 1 1165 . 1 1 116 116 LEU CA C 13 57.810 0.60 . 1 . . . . 116 LEU CA . 16905 1 1166 . 1 1 116 116 LEU CB C 13 40.930 0.60 . 1 . . . . 116 LEU CB . 16905 1 1167 . 1 1 116 116 LEU CD1 C 13 22.430 0.60 . 2 . . . . 116 LEU CD1 . 16905 1 1168 . 1 1 116 116 LEU CG C 13 26.180 0.60 . 1 . . . . 116 LEU CG . 16905 1 1169 . 1 1 116 116 LEU N N 15 121.00 0.15 . 1 . . . . 116 LEU N . 16905 1 1170 . 1 1 117 117 VAL H H 1 8.1973 0.01 . 1 . . . . 117 VAL H . 16905 1 1171 . 1 1 117 117 VAL HA H 1 3.6803 0.10 . 1 . . . . 117 VAL HA . 16905 1 1172 . 1 1 117 117 VAL HB H 1 2.1900 0.10 . 1 . . . . 117 VAL HB . 16905 1 1173 . 1 1 117 117 VAL HG11 H 1 1.1000 0.10 . 2 . . . . 117 VAL MG1 . 16905 1 1174 . 1 1 117 117 VAL HG12 H 1 1.1000 0.10 . 2 . . . . 117 VAL MG1 . 16905 1 1175 . 1 1 117 117 VAL HG13 H 1 1.1000 0.10 . 2 . . . . 117 VAL MG1 . 16905 1 1176 . 1 1 117 117 VAL HG21 H 1 0.9600 0.10 . 2 . . . . 117 VAL MG2 . 16905 1 1177 . 1 1 117 117 VAL HG22 H 1 0.9600 0.10 . 2 . . . . 117 VAL MG2 . 16905 1 1178 . 1 1 117 117 VAL HG23 H 1 0.9600 0.10 . 2 . . . . 117 VAL MG2 . 16905 1 1179 . 1 1 117 117 VAL C C 13 178.46 0.10 . 1 . . . . 117 VAL C . 16905 1 1180 . 1 1 117 117 VAL CA C 13 65.940 0.60 . 1 . . . . 117 VAL CA . 16905 1 1181 . 1 1 117 117 VAL CB C 13 31.560 0.60 . 1 . . . . 117 VAL CB . 16905 1 1182 . 1 1 117 117 VAL CG1 C 13 22.430 0.60 . 2 . . . . 117 VAL CG1 . 16905 1 1183 . 1 1 117 117 VAL CG2 C 13 20.550 0.60 . 2 . . . . 117 VAL CG2 . 16905 1 1184 . 1 1 117 117 VAL N N 15 119.22 0.15 . 1 . . . . 117 VAL N . 16905 1 1185 . 1 1 118 118 GLN H H 1 7.4693 0.01 . 1 . . . . 118 GLN H . 16905 1 1186 . 1 1 118 118 GLN HA H 1 3.8903 0.10 . 1 . . . . 118 GLN HA . 16905 1 1187 . 1 1 118 118 GLN HB2 H 1 2.1900 0.10 . 2 . . . . 118 GLN HB2 . 16905 1 1188 . 1 1 118 118 GLN HE21 H 1 7.4309 0.01 . 2 . . . . 118 GLN HE21 . 16905 1 1189 . 1 1 118 118 GLN HE22 H 1 6.7809 0.01 . 2 . . . . 118 GLN HE22 . 16905 1 1190 . 1 1 118 118 GLN HG3 H 1 2.4100 0.10 . 2 . . . . 118 GLN HG3 . 16905 1 1191 . 1 1 118 118 GLN C C 13 178.66 0.10 . 1 . . . . 118 GLN C . 16905 1 1192 . 1 1 118 118 GLN CA C 13 58.800 0.60 . 1 . . . . 118 GLN CA . 16905 1 1193 . 1 1 118 118 GLN CB C 13 28.820 0.60 . 1 . . . . 118 GLN CB . 16905 1 1194 . 1 1 118 118 GLN CG C 13 33.050 0.60 . 1 . . . . 118 GLN CG . 16905 1 1195 . 1 1 118 118 GLN N N 15 118.43 0.15 . 1 . . . . 118 GLN N . 16905 1 1196 . 1 1 118 118 GLN NE2 N 15 111.19 0.15 . 1 . . . . 118 GLN NE2 . 16905 1 1197 . 1 1 119 119 ILE H H 1 7.8743 0.01 . 1 . . . . 119 ILE H . 16905 1 1198 . 1 1 119 119 ILE HA H 1 4.2103 0.10 . 1 . . . . 119 ILE HA . 16905 1 1199 . 1 1 119 119 ILE HB H 1 1.5600 0.10 . 1 . . . . 119 ILE HB . 16905 1 1200 . 1 1 119 119 ILE HD11 H 1 0.6700 0.10 . 1 . . . . 119 ILE MD . 16905 1 1201 . 1 1 119 119 ILE HD12 H 1 0.6700 0.10 . 1 . . . . 119 ILE MD . 16905 1 1202 . 1 1 119 119 ILE HD13 H 1 0.6700 0.10 . 1 . . . . 119 ILE MD . 16905 1 1203 . 1 1 119 119 ILE HG21 H 1 0.7100 0.10 . 1 . . . . 119 ILE MG . 16905 1 1204 . 1 1 119 119 ILE HG22 H 1 0.7100 0.10 . 1 . . . . 119 ILE MG . 16905 1 1205 . 1 1 119 119 ILE HG23 H 1 0.7100 0.10 . 1 . . . . 119 ILE MG . 16905 1 1206 . 1 1 119 119 ILE C C 13 177.01 0.10 . 1 . . . . 119 ILE C . 16905 1 1207 . 1 1 119 119 ILE CA C 13 62.190 0.60 . 1 . . . . 119 ILE CA . 16905 1 1208 . 1 1 119 119 ILE CB C 13 38.430 0.60 . 1 . . . . 119 ILE CB . 16905 1 1209 . 1 1 119 119 ILE CD1 C 13 15.310 0.60 . 1 . . . . 119 ILE CD1 . 16905 1 1210 . 1 1 119 119 ILE CG1 C 13 27.430 0.60 . 1 . . . . 119 ILE CG1 . 16905 1 1211 . 1 1 119 119 ILE CG2 C 13 17.430 0.60 . 1 . . . . 119 ILE CG2 . 16905 1 1212 . 1 1 119 119 ILE N N 15 114.72 0.15 . 1 . . . . 119 ILE N . 16905 1 1213 . 1 1 120 120 SER H H 1 7.7783 0.01 . 1 . . . . 120 SER H . 16905 1 1214 . 1 1 120 120 SER HA H 1 4.2403 0.10 . 1 . . . . 120 SER HA . 16905 1 1215 . 1 1 120 120 SER HB2 H 1 3.8200 0.10 . 2 . . . . 120 SER HB2 . 16905 1 1216 . 1 1 120 120 SER C C 13 174.61 0.10 . 1 . . . . 120 SER C . 16905 1 1217 . 1 1 120 120 SER CA C 13 59.690 0.60 . 1 . . . . 120 SER CA . 16905 1 1218 . 1 1 120 120 SER CB C 13 63.440 0.60 . 1 . . . . 120 SER CB . 16905 1 1219 . 1 1 120 120 SER N N 15 115.71 0.15 . 1 . . . . 120 SER N . 16905 1 1220 . 1 1 121 121 LYS H H 1 7.5343 0.01 . 1 . . . . 121 LYS H . 16905 1 1221 . 1 1 121 121 LYS HA H 1 4.3503 0.10 . 1 . . . . 121 LYS HA . 16905 1 1222 . 1 1 121 121 LYS HB2 H 1 1.8700 0.10 . 1 . . . . 121 LYS HB2 . 16905 1 1223 . 1 1 121 121 LYS HB3 H 1 1.5900 0.10 . 1 . . . . 121 LYS HB3 . 16905 1 1224 . 1 1 121 121 LYS HD2 H 1 1.9100 0.10 . 2 . . . . 121 LYS HD2 . 16905 1 1225 . 1 1 121 121 LYS HG2 H 1 1.4600 0.10 . 2 . . . . 121 LYS HG2 . 16905 1 1226 . 1 1 121 121 LYS C C 13 176.79 0.10 . 1 . . . . 121 LYS C . 16905 1 1227 . 1 1 121 121 LYS CA C 13 57.190 0.60 . 1 . . . . 121 LYS CA . 16905 1 1228 . 1 1 121 121 LYS CB C 13 32.810 0.60 . 1 . . . . 121 LYS CB . 16905 1 1229 . 1 1 121 121 LYS CD C 13 29.300 0.60 . 1 . . . . 121 LYS CD . 16905 1 1230 . 1 1 121 121 LYS CE C 13 42.430 0.60 . 1 . . . . 121 LYS CE . 16905 1 1231 . 1 1 121 121 LYS CG C 13 24.690 0.60 . 1 . . . . 121 LYS CG . 16905 1 1232 . 1 1 121 121 LYS N N 15 120.89 0.15 . 1 . . . . 121 LYS N . 16905 1 1233 . 1 1 122 122 GLU H H 1 8.1393 0.01 . 1 . . . . 122 GLU H . 16905 1 1234 . 1 1 122 122 GLU HA H 1 4.3503 0.10 . 1 . . . . 122 GLU HA . 16905 1 1235 . 1 1 122 122 GLU HB2 H 1 2.1300 0.10 . 1 . . . . 122 GLU HB2 . 16905 1 1236 . 1 1 122 122 GLU HB3 H 1 2.0100 0.10 . 1 . . . . 122 GLU HB3 . 16905 1 1237 . 1 1 122 122 GLU HG3 H 1 2.2300 0.10 . 2 . . . . 122 GLU HG3 . 16905 1 1238 . 1 1 122 122 GLU C C 13 175.69 0.10 . 1 . . . . 122 GLU C . 16905 1 1239 . 1 1 122 122 GLU CA C 13 56.560 0.60 . 1 . . . . 122 GLU CA . 16905 1 1240 . 1 1 122 122 GLU CB C 13 30.310 0.60 . 1 . . . . 122 GLU CB . 16905 1 1241 . 1 1 122 122 GLU CG C 13 35.550 0.60 . 1 . . . . 122 GLU CG . 16905 1 1242 . 1 1 122 122 GLU N N 15 120.14 0.15 . 1 . . . . 122 GLU N . 16905 1 1243 . 1 1 123 123 VAL H H 1 7.4063 0.01 . 1 . . . . 123 VAL H . 16905 1 1244 . 1 1 123 123 VAL HA H 1 4.0303 0.10 . 1 . . . . 123 VAL HA . 16905 1 1245 . 1 1 123 123 VAL HB H 1 2.1200 0.10 . 1 . . . . 123 VAL HB . 16905 1 1246 . 1 1 123 123 VAL HG11 H 1 0.8400 0.10 . 2 . . . . 123 VAL MG1 . 16905 1 1247 . 1 1 123 123 VAL HG12 H 1 0.8400 0.10 . 2 . . . . 123 VAL MG1 . 16905 1 1248 . 1 1 123 123 VAL HG13 H 1 0.8400 0.10 . 2 . . . . 123 VAL MG1 . 16905 1 1249 . 1 1 123 123 VAL HG21 H 1 0.9100 0.10 . 2 . . . . 123 VAL MG2 . 16905 1 1250 . 1 1 123 123 VAL HG22 H 1 0.9100 0.10 . 2 . . . . 123 VAL MG2 . 16905 1 1251 . 1 1 123 123 VAL HG23 H 1 0.9100 0.10 . 2 . . . . 123 VAL MG2 . 16905 1 1252 . 1 1 123 123 VAL C C 13 180.97 0.10 . 1 . . . . 123 VAL C . 16905 1 1253 . 1 1 123 123 VAL CA C 13 64.070 0.60 . 1 . . . . 123 VAL CA . 16905 1 1254 . 1 1 123 123 VAL CB C 13 33.440 0.60 . 1 . . . . 123 VAL CB . 16905 1 1255 . 1 1 123 123 VAL CG1 C 13 20.940 0.60 . 2 . . . . 123 VAL CG1 . 16905 1 1256 . 1 1 123 123 VAL CG2 C 13 20.310 0.60 . 2 . . . . 123 VAL CG2 . 16905 1 1257 . 1 1 123 123 VAL N N 15 123.54 0.15 . 1 . . . . 123 VAL N . 16905 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 65 16905 1 2 596 16905 1 2 597 16905 1 2 598 16905 1 3 607 16905 1 3 608 16905 1 3 609 16905 1 4 1035 16905 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constant_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constant_list_1 _Coupling_constant_list.Entry_ID 16905 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 10 '3D HNHA' . . . 16905 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 6 6 GLU H H 1 1 . 1 1 6 6 GLU HA H 1 1 7.4342 . . . . . 1 6 GLU H 1 6 GLU HA . 16905 1 2 3JHNHA . 1 1 8 8 ARG H H 1 1 . 1 1 8 8 ARG HA H 1 1 6.9160 . . . . . 1 8 ARG H 1 8 ARG HA . 16905 1 3 3JHNHA . 1 1 10 10 ARG H H 1 1 . 1 1 10 10 ARG HA H 1 1 7.4794 . . . . . 1 10 ARG H 1 10 ARG HA . 16905 1 4 3JHNHA . 1 1 11 11 VAL H H 1 1 . 1 1 11 11 VAL HA H 1 1 7.5502 . . . . . 1 11 VAL H 1 11 VAL HA . 16905 1 5 3JHNHA . 1 1 12 12 LEU H H 1 1 . 1 1 12 12 LEU HA H 1 1 9.3042 . . . . . 1 12 LEU H 1 12 LEU HA . 16905 1 6 3JHNHA . 1 1 13 13 VAL H H 1 1 . 1 1 13 13 VAL HA H 1 1 8.4262 . . . . . 1 13 VAL H 1 13 VAL HA . 16905 1 7 3JHNHA . 1 1 14 14 VAL H H 1 1 . 1 1 14 14 VAL HA H 1 1 8.8570 . . . . . 1 14 VAL H 1 14 VAL HA . 16905 1 8 3JHNHA . 1 1 20 20 ILE H H 1 1 . 1 1 20 20 ILE HA H 1 1 4.8108 . . . . . 1 20 ILE H 1 20 ILE HA . 16905 1 9 3JHNHA . 1 1 22 22 MET H H 1 1 . 1 1 22 22 MET HA H 1 1 5.0457 . . . . . 1 22 MET H 1 22 MET HA . 16905 1 10 3JHNHA . 1 1 23 23 LEU H H 1 1 . 1 1 23 23 LEU HA H 1 1 4.0928 . . . . . 1 23 LEU H 1 23 LEU HA . 16905 1 11 3JHNHA . 1 1 25 25 GLU H H 1 1 . 1 1 25 25 GLU HA H 1 1 4.3118 . . . . . 1 25 GLU H 1 25 GLU HA . 16905 1 12 3JHNHA . 1 1 27 27 THR H H 1 1 . 1 1 27 27 THR HA H 1 1 3.9464 . . . . . 1 27 THR H 1 27 THR HA . 16905 1 13 3JHNHA . 1 1 29 29 CYS H H 1 1 . 1 1 29 29 CYS HA H 1 1 8.0273 . . . . . 1 29 CYS H 1 29 CYS HA . 16905 1 14 3JHNHA . 1 1 30 30 GLU H H 1 1 . 1 1 30 30 GLU HA H 1 1 3.7114 . . . . . 1 30 GLU H 1 30 GLU HA . 16905 1 15 3JHNHA . 1 1 31 31 LEU H H 1 1 . 1 1 31 31 LEU HA H 1 1 6.5453 . . . . . 1 31 LEU H 1 31 LEU HA . 16905 1 16 3JHNHA . 1 1 32 32 GLY H H 1 1 . 1 1 32 32 GLY HA2 H 1 1 8.5140 . . . . . 1 32 GLY H 1 32 GLY HA . 16905 1 17 3JHNHA . 1 1 32 32 GLY H H 1 1 . 1 1 32 32 GLY HA3 H 1 1 8.5140 . . . . . 1 32 GLY H 1 32 GLY HA . 16905 1 18 3JHNHA . 1 1 33 33 HIS H H 1 1 . 1 1 33 33 HIS HA H 1 1 8.3670 . . . . . 1 33 HIS H 1 33 HIS HA . 16905 1 19 3JHNHA . 1 1 34 34 GLU H H 1 1 . 1 1 34 34 GLU HA H 1 1 8.7091 . . . . . 1 34 GLU H 1 34 GLU HA . 16905 1 20 3JHNHA . 1 1 35 35 VAL H H 1 1 . 1 1 35 35 VAL HA H 1 1 7.9375 . . . . . 1 35 VAL H 1 35 VAL HA . 16905 1 21 3JHNHA . 1 1 36 36 ALA H H 1 1 . 1 1 36 36 ALA HA H 1 1 6.5346 . . . . . 1 36 ALA H 1 36 ALA HA . 16905 1 22 3JHNHA . 1 1 37 37 ALA H H 1 1 . 1 1 37 37 ALA HA H 1 1 8.0969 . . . . . 1 37 ALA H 1 37 ALA HA . 16905 1 23 3JHNHA . 1 1 38 38 THR H H 1 1 . 1 1 38 38 THR HA H 1 1 10.242 . . . . . 1 38 THR H 1 38 THR HA . 16905 1 24 3JHNHA . 1 1 39 39 ALA H H 1 1 . 1 1 39 39 ALA HA H 1 1 8.5833 . . . . . 1 39 ALA H 1 39 ALA HA . 16905 1 25 3JHNHA . 1 1 40 40 SER H H 1 1 . 1 1 40 40 SER HA H 1 1 9.8557 . . . . . 1 40 SER H 1 40 SER HA . 16905 1 26 3JHNHA . 1 1 41 41 ARG H H 1 1 . 1 1 41 41 ARG HA H 1 1 8.1680 . . . . . 1 41 ARG H 1 41 ARG HA . 16905 1 27 3JHNHA . 1 1 44 44 GLU H H 1 1 . 1 1 44 44 GLU HA H 1 1 5.1653 . . . . . 1 44 GLU H 1 44 GLU HA . 16905 1 28 3JHNHA . 1 1 45 45 ALA H H 1 1 . 1 1 45 45 ALA HA H 1 1 5.3697 . . . . . 1 45 ALA H 1 45 ALA HA . 16905 1 29 3JHNHA . 1 1 46 46 LEU H H 1 1 . 1 1 46 46 LEU HA H 1 1 4.1416 . . . . . 1 46 LEU H 1 46 LEU HA . 16905 1 30 3JHNHA . 1 1 47 47 ASP H H 1 1 . 1 1 47 47 ASP HA H 1 1 4.2703 . . . . . 1 47 ASP H 1 47 ASP HA . 16905 1 31 3JHNHA . 1 1 48 48 ILE H H 1 1 . 1 1 48 48 ILE HA H 1 1 5.3485 . . . . . 1 48 ILE H 1 48 ILE HA . 16905 1 32 3JHNHA . 1 1 49 49 ALA H H 1 1 . 1 1 49 49 ALA HA H 1 1 5.6874 . . . . . 1 49 ALA H 1 49 ALA HA . 16905 1 33 3JHNHA . 1 1 50 50 ARG H H 1 1 . 1 1 50 50 ARG HA H 1 1 5.5848 . . . . . 1 50 ARG H 1 50 ARG HA . 16905 1 34 3JHNHA . 1 1 51 51 LYS H H 1 1 . 1 1 51 51 LYS HA H 1 1 7.2049 . . . . . 1 51 LYS H 1 51 LYS HA . 16905 1 35 3JHNHA . 1 1 52 52 GLY H H 1 1 . 1 1 52 52 GLY HA2 H 1 1 5.5356 . . . . . 1 52 GLY H 1 52 GLY HA . 16905 1 36 3JHNHA . 1 1 52 52 GLY H H 1 1 . 1 1 52 52 GLY HA3 H 1 1 5.5356 . . . . . 1 52 GLY H 1 52 GLY HA . 16905 1 37 3JHNHA . 1 1 54 54 PHE H H 1 1 . 1 1 54 54 PHE HA H 1 1 7.0512 . . . . . 1 54 PHE H 1 54 PHE HA . 16905 1 38 3JHNHA . 1 1 55 55 ASP H H 1 1 . 1 1 55 55 ASP HA H 1 1 7.8405 . . . . . 1 55 ASP H 1 55 ASP HA . 16905 1 39 3JHNHA . 1 1 56 56 ILE H H 1 1 . 1 1 56 56 ILE HA H 1 1 7.5752 . . . . . 1 56 ILE H 1 56 ILE HA . 16905 1 40 3JHNHA . 1 1 57 57 ALA H H 1 1 . 1 1 57 57 ALA HA H 1 1 10.063 . . . . . 1 57 ALA H 1 57 ALA HA . 16905 1 41 3JHNHA . 1 1 58 58 ILE H H 1 1 . 1 1 58 58 ILE HA H 1 1 8.2608 . . . . . 1 58 ILE H 1 58 ILE HA . 16905 1 42 3JHNHA . 1 1 59 59 ILE H H 1 1 . 1 1 59 59 ILE HA H 1 1 8.9098 . . . . . 1 59 ILE H 1 59 ILE HA . 16905 1 43 3JHNHA . 1 1 64 64 ASP H H 1 1 . 1 1 64 64 ASP HA H 1 1 7.1757 . . . . . 1 64 ASP H 1 64 ASP HA . 16905 1 44 3JHNHA . 1 1 66 66 GLU H H 1 1 . 1 1 66 66 GLU HA H 1 1 8.0056 . . . . . 1 66 GLU H 1 66 GLU HA . 16905 1 45 3JHNHA . 1 1 71 71 VAL H H 1 1 . 1 1 71 71 VAL HA H 1 1 5.2113 . . . . . 1 71 VAL H 1 71 VAL HA . 16905 1 46 3JHNHA . 1 1 72 72 ALA H H 1 1 . 1 1 72 72 ALA HA H 1 1 5.0480 . . . . . 1 72 ALA H 1 72 ALA HA . 16905 1 47 3JHNHA . 1 1 74 74 ILE H H 1 1 . 1 1 74 74 ILE HA H 1 1 5.2596 . . . . . 1 74 ILE H 1 74 ILE HA . 16905 1 48 3JHNHA . 1 1 75 75 LEU H H 1 1 . 1 1 75 75 LEU HA H 1 1 5.4382 . . . . . 1 75 LEU H 1 75 LEU HA . 16905 1 49 3JHNHA . 1 1 76 76 ALA H H 1 1 . 1 1 76 76 ALA HA H 1 1 4.2610 . . . . . 1 76 ALA H 1 76 ALA HA . 16905 1 50 3JHNHA . 1 1 77 77 GLU H H 1 1 . 1 1 77 77 GLU HA H 1 1 4.5937 . . . . . 1 77 GLU H 1 77 GLU HA . 16905 1 51 3JHNHA . 1 1 78 78 ARG H H 1 1 . 1 1 78 78 ARG HA H 1 1 7.7035 . . . . . 1 78 ARG H 1 78 ARG HA . 16905 1 52 3JHNHA . 1 1 79 79 ASN H H 1 1 . 1 1 79 79 ASN HA H 1 1 6.4747 . . . . . 1 79 ASN H 1 79 ASN HA . 16905 1 53 3JHNHA . 1 1 80 80 VAL H H 1 1 . 1 1 80 80 VAL HA H 1 1 9.1978 . . . . . 1 80 VAL H 1 80 VAL HA . 16905 1 54 3JHNHA . 1 1 82 82 PHE H H 1 1 . 1 1 82 82 PHE HA H 1 1 10.855 . . . . . 1 82 PHE H 1 82 PHE HA . 16905 1 55 3JHNHA . 1 1 83 83 ILE H H 1 1 . 1 1 83 83 ILE HA H 1 1 8.4731 . . . . . 1 83 ILE H 1 83 ILE HA . 16905 1 56 3JHNHA . 1 1 84 84 PHE H H 1 1 . 1 1 84 84 PHE HA H 1 1 7.9954 . . . . . 1 84 PHE H 1 84 PHE HA . 16905 1 57 3JHNHA . 1 1 85 85 ALA H H 1 1 . 1 1 85 85 ALA HA H 1 1 9.7734 . . . . . 1 85 ALA H 1 85 ALA HA . 16905 1 58 3JHNHA . 1 1 92 92 GLY H H 1 1 . 1 1 92 92 GLY HA2 H 1 1 6.2473 . . . . . 1 92 GLY H 1 92 GLY HA . 16905 1 59 3JHNHA . 1 1 92 92 GLY H H 1 1 . 1 1 92 92 GLY HA3 H 1 1 6.2473 . . . . . 1 92 GLY H 1 92 GLY HA . 16905 1 60 3JHNHA . 1 1 93 93 LEU H H 1 1 . 1 1 93 93 LEU HA H 1 1 5.9417 . . . . . 1 93 LEU H 1 93 LEU HA . 16905 1 61 3JHNHA . 1 1 94 94 ASP H H 1 1 . 1 1 94 94 ASP HA H 1 1 4.3863 . . . . . 1 94 ASP H 1 94 ASP HA . 16905 1 62 3JHNHA . 1 1 96 96 ARG H H 1 1 . 1 1 96 96 ARG HA H 1 1 8.4897 . . . . . 1 96 ARG H 1 96 ARG HA . 16905 1 63 3JHNHA . 1 1 97 97 TYR H H 1 1 . 1 1 97 97 TYR HA H 1 1 9.0301 . . . . . 1 97 TYR H 1 97 TYR HA . 16905 1 64 3JHNHA . 1 1 99 99 ASN H H 1 1 . 1 1 99 99 ASN HA H 1 1 8.0273 . . . . . 1 99 ASN H 1 99 ASN HA . 16905 1 65 3JHNHA . 1 1 100 100 ILE H H 1 1 . 1 1 100 100 ILE HA H 1 1 7.0700 . . . . . 1 100 ILE H 1 100 ILE HA . 16905 1 66 3JHNHA . 1 1 102 102 LEU H H 1 1 . 1 1 102 102 LEU HA H 1 1 8.8999 . . . . . 1 102 LEU H 1 102 LEU HA . 16905 1 67 3JHNHA . 1 1 103 103 LEU H H 1 1 . 1 1 103 103 LEU HA H 1 1 9.1300 . . . . . 1 103 LEU H 1 103 LEU HA . 16905 1 68 3JHNHA . 1 1 104 104 THR H H 1 1 . 1 1 104 104 THR HA H 1 1 7.0026 . . . . . 1 104 THR H 1 104 THR HA . 16905 1 69 3JHNHA . 1 1 111 111 GLU H H 1 1 . 1 1 111 111 GLU HA H 1 1 8.5105 . . . . . 1 111 GLU H 1 111 GLU HA . 16905 1 70 3JHNHA . 1 1 112 112 LEU H H 1 1 . 1 1 112 112 LEU HA H 1 1 4.7644 . . . . . 1 112 LEU H 1 112 LEU HA . 16905 1 71 3JHNHA . 1 1 115 115 VAL H H 1 1 . 1 1 115 115 VAL HA H 1 1 6.1860 . . . . . 1 115 VAL H 1 115 VAL HA . 16905 1 72 3JHNHA . 1 1 116 116 LEU H H 1 1 . 1 1 116 116 LEU HA H 1 1 6.8334 . . . . . 1 116 LEU H 1 116 LEU HA . 16905 1 73 3JHNHA . 1 1 117 117 VAL H H 1 1 . 1 1 117 117 VAL HA H 1 1 4.5321 . . . . . 1 117 VAL H 1 117 VAL HA . 16905 1 74 3JHNHA . 1 1 118 118 GLN H H 1 1 . 1 1 118 118 GLN HA H 1 1 4.5598 . . . . . 1 118 GLN H 1 118 GLN HA . 16905 1 75 3JHNHA . 1 1 119 119 ILE H H 1 1 . 1 1 119 119 ILE HA H 1 1 6.4723 . . . . . 1 119 ILE H 1 119 ILE HA . 16905 1 76 3JHNHA . 1 1 121 121 LYS H H 1 1 . 1 1 121 121 LYS HA H 1 1 6.5214 . . . . . 1 121 LYS H 1 121 LYS HA . 16905 1 77 3JHNHA . 1 1 122 122 GLU H H 1 1 . 1 1 122 122 GLU HA H 1 1 7.9719 . . . . . 1 122 GLU H 1 122 GLU HA . 16905 1 78 3JHNHA . 1 1 123 123 VAL H H 1 1 . 1 1 123 123 VAL HA H 1 1 8.7294 . . . . . 1 123 VAL H 1 123 VAL HA . 16905 1 stop_ save_