data_7014 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7014 _Entry.Title ; NMR assigment of the SARS-CoV protein nsp1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-03-06 _Entry.Accession_date 2006-03-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'protein in 25 mM sodium phosphate pH 7.0, 250 mM NaCl, 10% D2O.' _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 Marcius Almeida . S. . 7014 2 Michael Geralt . . . 7014 3 Margaret Johnson . A. . 7014 4 Kumar Saikatendu . . . 7014 5 Jeremiah Joseph . . . 7014 6 Vanitha Subramanian . . . 7014 7 Raymond Stevens . C. . 7014 8 Peter Kuhn . . . 7014 9 Kurt Wuthrich . . . 7014 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . JCSG . 7014 . . 'Consortium for Functional and Structural Proteomics of SARS-CoV related proteins' . 7014 . . 'The Scripps Research Institute' . 7014 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7014 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 503 7014 '15N chemical shifts' 116 7014 '1H chemical shifts' 833 7014 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 . . 2007-02-08 2006-03-06 update BMRB 'complete entry citation' 7014 1 . . 2006-08-09 2006-03-06 original author 'original release' 7014 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2GDT 'BMRB Entry Tracking System' 7014 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7014 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16821128 _Citation.Full_citation . _Citation.Title 'NMR assignment of the SARS-CoV protein nsp1' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 46 _Citation.Page_last 46 _Citation.Year 2006 _Citation.Details 'Letter to the Editor.' 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 Marcius Almeida . S. . 7014 1 2 Margaret Johnson . A. . 7014 1 3 Kurt Wuthrich . . . 7014 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 7014 1 nsp 7014 1 SARS-CoV 7014 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7014 _Assembly.ID 1 _Assembly.Name nsp1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 12663.5 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7014 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 nsp1 1 $SARS-CoV_nsp1 . . no native no no . . . 7014 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SARS-CoV_nsp1 _Entity.Sf_category entity _Entity.Sf_framecode SARS-CoV_nsp1 _Entity.Entry_ID 7014 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'leader protein from SARS-CoV' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details 'Residues 13-127' _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHVQLSLPVLQVRDVLVRGF GDSVEEALSEAREHLKNGTC GLVELEKGVLPQLEQPYVFI KRSDALSTNHGHKVVELVAE MDGIQYGRSGITLGVLVPHV GETPIAYRNVLLRKNG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 116 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2GDT . "Nmr Structure Of The Nonstructural Protein 1 (Nsp1) From The Sars Coronavirus" . . . . . 100.00 116 100.00 100.00 8.10e-76 . . . . 7014 1 2 no PDB 2HSX . "Nmr Structure Of The Nonstructural Protein 1 (Nsp1) From The Sars Coronavirus" . . . . . 100.00 116 100.00 100.00 8.10e-76 . . . . 7014 1 3 no DBJ BAC81346 . "polyprotein 1ab [SARS coronavirus TWH]" . . . . . 99.14 7073 100.00 100.00 1.18e-70 . . . . 7014 1 4 no DBJ BAC81347 . "polyprotein 1a [SARS coronavirus TWH]" . . . . . 99.14 4382 100.00 100.00 1.04e-70 . . . . 7014 1 5 no DBJ BAC81360 . "polyprotein 1ab [SARS coronavirus TWJ]" . . . . . 99.14 7073 100.00 100.00 1.18e-70 . . . . 7014 1 6 no DBJ BAC81361 . "polyprotein 1a [SARS coronavirus TWJ]" . . . . . 99.14 4382 100.00 100.00 1.04e-70 . . . . 7014 1 7 no DBJ BAC81374 . "polyprotein 1ab [SARS coronavirus TWK]" . . . . . 99.14 7073 100.00 100.00 1.18e-70 . . . . 7014 1 8 no GB AAP13439 . "nonstructural polyprotein pp1a [SARS coronavirus Urbani]" . . . . . 99.14 4382 100.00 100.00 1.04e-70 . . . . 7014 1 9 no GB AAP13442 . "nonstructural polyprotein pp1ab [SARS coronavirus Urbani]" . . . . . 99.14 7073 100.00 100.00 1.18e-70 . . . . 7014 1 10 no GB AAP13566 . "putative orf1ab polyprotein [SARS coronavirus CUHK-W1]" . . . . . 99.14 7073 100.00 100.00 1.18e-70 . . . . 7014 1 11 no GB AAP13575 . "orf1a polyprotein [SARS coronavirus CUHK-W1]" . . . . . 99.14 4382 100.00 100.00 1.04e-70 . . . . 7014 1 12 no GB AAP30028 . "orf1ab [SARS coronavirus BJ01]" . . . . . 99.14 7073 100.00 100.00 1.18e-70 . . . . 7014 1 13 no REF NP_828849 . "orf1ab polyprotein (pp1ab) [SARS coronavirus]" . . . . . 99.14 7073 100.00 100.00 1.18e-70 . . . . 7014 1 14 no REF NP_828850 . "orf1a polyprotein (pp1a) [SARS coronavirus]" . . . . . 99.14 4382 100.00 100.00 1.04e-70 . . . . 7014 1 15 no REF NP_828860 . "nsp1-pp1a/pp1ab [SARS coronavirus]" . . . . . 99.14 180 100.00 100.00 1.61e-74 . . . . 7014 1 16 no SP P0C6F8 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 99.14 4376 98.26 100.00 1.10e-69 . . . . 7014 1 17 no SP P0C6U8 . "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" . . . . . 99.14 4382 100.00 100.00 1.04e-70 . . . . 7014 1 18 no SP P0C6W2 . "RecName: Full=Replicase polyprotein 1ab; Short=pp1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Host translatio" . . . . . 99.14 7067 98.26 100.00 1.25e-69 . . . . 7014 1 19 no SP P0C6X7 . "RecName: Full=Replicase polyprotein 1ab; Short=pp1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Host translatio" . . . . . 99.14 7073 100.00 100.00 1.18e-70 . . . . 7014 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 . 7014 1 2 . HIS . 7014 1 3 . VAL . 7014 1 4 . GLN . 7014 1 5 . LEU . 7014 1 6 . SER . 7014 1 7 . LEU . 7014 1 8 . PRO . 7014 1 9 . VAL . 7014 1 10 . LEU . 7014 1 11 . GLN . 7014 1 12 . VAL . 7014 1 13 . ARG . 7014 1 14 . ASP . 7014 1 15 . VAL . 7014 1 16 . LEU . 7014 1 17 . VAL . 7014 1 18 . ARG . 7014 1 19 . GLY . 7014 1 20 . PHE . 7014 1 21 . GLY . 7014 1 22 . ASP . 7014 1 23 . SER . 7014 1 24 . VAL . 7014 1 25 . GLU . 7014 1 26 . GLU . 7014 1 27 . ALA . 7014 1 28 . LEU . 7014 1 29 . SER . 7014 1 30 . GLU . 7014 1 31 . ALA . 7014 1 32 . ARG . 7014 1 33 . GLU . 7014 1 34 . HIS . 7014 1 35 . LEU . 7014 1 36 . LYS . 7014 1 37 . ASN . 7014 1 38 . GLY . 7014 1 39 . THR . 7014 1 40 . CYS . 7014 1 41 . GLY . 7014 1 42 . LEU . 7014 1 43 . VAL . 7014 1 44 . GLU . 7014 1 45 . LEU . 7014 1 46 . GLU . 7014 1 47 . LYS . 7014 1 48 . GLY . 7014 1 49 . VAL . 7014 1 50 . LEU . 7014 1 51 . PRO . 7014 1 52 . GLN . 7014 1 53 . LEU . 7014 1 54 . GLU . 7014 1 55 . GLN . 7014 1 56 . PRO . 7014 1 57 . TYR . 7014 1 58 . VAL . 7014 1 59 . PHE . 7014 1 60 . ILE . 7014 1 61 . LYS . 7014 1 62 . ARG . 7014 1 63 . SER . 7014 1 64 . ASP . 7014 1 65 . ALA . 7014 1 66 . LEU . 7014 1 67 . SER . 7014 1 68 . THR . 7014 1 69 . ASN . 7014 1 70 . HIS . 7014 1 71 . GLY . 7014 1 72 . HIS . 7014 1 73 . LYS . 7014 1 74 . VAL . 7014 1 75 . VAL . 7014 1 76 . GLU . 7014 1 77 . LEU . 7014 1 78 . VAL . 7014 1 79 . ALA . 7014 1 80 . GLU . 7014 1 81 . MET . 7014 1 82 . ASP . 7014 1 83 . GLY . 7014 1 84 . ILE . 7014 1 85 . GLN . 7014 1 86 . TYR . 7014 1 87 . GLY . 7014 1 88 . ARG . 7014 1 89 . SER . 7014 1 90 . GLY . 7014 1 91 . ILE . 7014 1 92 . THR . 7014 1 93 . LEU . 7014 1 94 . GLY . 7014 1 95 . VAL . 7014 1 96 . LEU . 7014 1 97 . VAL . 7014 1 98 . PRO . 7014 1 99 . HIS . 7014 1 100 . VAL . 7014 1 101 . GLY . 7014 1 102 . GLU . 7014 1 103 . THR . 7014 1 104 . PRO . 7014 1 105 . ILE . 7014 1 106 . ALA . 7014 1 107 . TYR . 7014 1 108 . ARG . 7014 1 109 . ASN . 7014 1 110 . VAL . 7014 1 111 . LEU . 7014 1 112 . LEU . 7014 1 113 . ARG . 7014 1 114 . LYS . 7014 1 115 . ASN . 7014 1 116 . GLY . 7014 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 7014 1 . HIS 2 2 7014 1 . VAL 3 3 7014 1 . GLN 4 4 7014 1 . LEU 5 5 7014 1 . SER 6 6 7014 1 . LEU 7 7 7014 1 . PRO 8 8 7014 1 . VAL 9 9 7014 1 . LEU 10 10 7014 1 . GLN 11 11 7014 1 . VAL 12 12 7014 1 . ARG 13 13 7014 1 . ASP 14 14 7014 1 . VAL 15 15 7014 1 . LEU 16 16 7014 1 . VAL 17 17 7014 1 . ARG 18 18 7014 1 . GLY 19 19 7014 1 . PHE 20 20 7014 1 . GLY 21 21 7014 1 . ASP 22 22 7014 1 . SER 23 23 7014 1 . VAL 24 24 7014 1 . GLU 25 25 7014 1 . GLU 26 26 7014 1 . ALA 27 27 7014 1 . LEU 28 28 7014 1 . SER 29 29 7014 1 . GLU 30 30 7014 1 . ALA 31 31 7014 1 . ARG 32 32 7014 1 . GLU 33 33 7014 1 . HIS 34 34 7014 1 . LEU 35 35 7014 1 . LYS 36 36 7014 1 . ASN 37 37 7014 1 . GLY 38 38 7014 1 . THR 39 39 7014 1 . CYS 40 40 7014 1 . GLY 41 41 7014 1 . LEU 42 42 7014 1 . VAL 43 43 7014 1 . GLU 44 44 7014 1 . LEU 45 45 7014 1 . GLU 46 46 7014 1 . LYS 47 47 7014 1 . GLY 48 48 7014 1 . VAL 49 49 7014 1 . LEU 50 50 7014 1 . PRO 51 51 7014 1 . GLN 52 52 7014 1 . LEU 53 53 7014 1 . GLU 54 54 7014 1 . GLN 55 55 7014 1 . PRO 56 56 7014 1 . TYR 57 57 7014 1 . VAL 58 58 7014 1 . PHE 59 59 7014 1 . ILE 60 60 7014 1 . LYS 61 61 7014 1 . ARG 62 62 7014 1 . SER 63 63 7014 1 . ASP 64 64 7014 1 . ALA 65 65 7014 1 . LEU 66 66 7014 1 . SER 67 67 7014 1 . THR 68 68 7014 1 . ASN 69 69 7014 1 . HIS 70 70 7014 1 . GLY 71 71 7014 1 . HIS 72 72 7014 1 . LYS 73 73 7014 1 . VAL 74 74 7014 1 . VAL 75 75 7014 1 . GLU 76 76 7014 1 . LEU 77 77 7014 1 . VAL 78 78 7014 1 . ALA 79 79 7014 1 . GLU 80 80 7014 1 . MET 81 81 7014 1 . ASP 82 82 7014 1 . GLY 83 83 7014 1 . ILE 84 84 7014 1 . GLN 85 85 7014 1 . TYR 86 86 7014 1 . GLY 87 87 7014 1 . ARG 88 88 7014 1 . SER 89 89 7014 1 . GLY 90 90 7014 1 . ILE 91 91 7014 1 . THR 92 92 7014 1 . LEU 93 93 7014 1 . GLY 94 94 7014 1 . VAL 95 95 7014 1 . LEU 96 96 7014 1 . VAL 97 97 7014 1 . PRO 98 98 7014 1 . HIS 99 99 7014 1 . VAL 100 100 7014 1 . GLY 101 101 7014 1 . GLU 102 102 7014 1 . THR 103 103 7014 1 . PRO 104 104 7014 1 . ILE 105 105 7014 1 . ALA 106 106 7014 1 . TYR 107 107 7014 1 . ARG 108 108 7014 1 . ASN 109 109 7014 1 . VAL 110 110 7014 1 . LEU 111 111 7014 1 . LEU 112 112 7014 1 . ARG 113 113 7014 1 . LYS 114 114 7014 1 . ASN 115 115 7014 1 . GLY 116 116 7014 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 7014 _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 $SARS-CoV_nsp1 . 227859 virus . 'SARS coronavirus' SARS-CoV . . Viruses . Coronavirus 'SARS coronavirus' . . . . . . . . . . . . . . . . . . . . . 7014 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 7014 _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 $SARS-CoV_nsp1 . 'recombinant technology' . 'E. coli' 'Escherichia coli BL21(DE3)' . . . . . . . . . . . . . . . . pET . . . . . . . . . 7014 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7014 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 25 mM Na Phosphate pH 7.0 250 mM NaCl 0.03% Azide 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'leader protein from SARS-CoV' '[U-13C; U-15N]' . . 1 $SARS-CoV_nsp1 . protein 2 . . mM 0.2 . . . 7014 1 2 'Na Phosphate' . . . . . . buffer 25 . . mM . . . . 7014 1 3 NaCl . . . . . . salt 250 . . mM . . . . 7014 1 4 Azide . . . . . . . 0.03 . . % . . . . 7014 1 5 D2O . . . . . . . 10 . . % . . . . 7014 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7014 _Sample_condition_list.ID 1 _Sample_condition_list.Details '298 K' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 0.01 pH 7014 1 pressure 1 0.1 atm 7014 1 temperature 298 0.1 K 7014 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7014 _Software.ID 1 _Software.Name CARA _Software.Version 1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID . . http://www.nmr.ch/ 7014 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7014 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7014 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7014 _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 [15N,1H]-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7014 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7014 1 3 '2D [13C,1H]-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7014 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7014 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7014 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7014 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7014 1 8 '3D CC(co)NH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7014 1 9 '3D 13C-[1H,1H] NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7014 1 10 '3D 15N-[1H,1H] NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7014 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7014 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 7014 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 7014 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 7014 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7014 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D [15N,1H]-HSQC' 1 $sample_1 isotropic 7014 1 2 '3D HNCA' 1 $sample_1 isotropic 7014 1 3 '2D [13C,1H]-HSQC' 1 $sample_1 isotropic 7014 1 4 '3D HNCO' 1 $sample_1 isotropic 7014 1 5 '3D HNCACB' 1 $sample_1 isotropic 7014 1 6 '3D CBCA(CO)NH' 1 $sample_1 isotropic 7014 1 7 '3D HBHA(CO)NH' 1 $sample_1 isotropic 7014 1 8 '3D CC(co)NH' 1 $sample_1 isotropic 7014 1 9 '3D 13C-[1H,1H] NOESY' 1 $sample_1 isotropic 7014 1 10 '3D 15N-[1H,1H] NOESY' 1 $sample_1 isotropic 7014 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 4.294 0.020 . 2 . . . . 1 GLY HA2 . 7014 1 2 . 1 1 1 1 GLY HA3 H 1 4.406 0.020 . 2 . . . . 1 GLY HA3 . 7014 1 3 . 1 1 1 1 GLY CA C 13 43.571 0.400 . 1 . . . . 1 GLY CA . 7014 1 4 . 1 1 2 2 HIS HA H 1 5.316 0.020 . 1 . . . . 2 HIS HA . 7014 1 5 . 1 1 2 2 HIS HB2 H 1 2.943 0.020 . 2 . . . . 2 HIS HB2 . 7014 1 6 . 1 1 2 2 HIS HB3 H 1 2.762 0.020 . 2 . . . . 2 HIS HB3 . 7014 1 7 . 1 1 2 2 HIS HD2 H 1 6.643 0.020 . 1 . . . . 2 HIS HD2 . 7014 1 8 . 1 1 2 2 HIS C C 13 174.728 0.400 . 1 . . . . 2 HIS C . 7014 1 9 . 1 1 2 2 HIS CA C 13 55.630 0.400 . 1 . . . . 2 HIS CA . 7014 1 10 . 1 1 2 2 HIS CB C 13 33.244 0.400 . 1 . . . . 2 HIS CB . 7014 1 11 . 1 1 2 2 HIS CD2 C 13 119.594 0.400 . 1 . . . . 2 HIS CD2 . 7014 1 12 . 1 1 3 3 VAL H H 1 8.942 0.020 . 1 . . . . 3 VAL H . 7014 1 13 . 1 1 3 3 VAL HA H 1 4.407 0.020 . 1 . . . . 3 VAL HA . 7014 1 14 . 1 1 3 3 VAL HB H 1 2.024 0.020 . 1 . . . . 3 VAL HB . 7014 1 15 . 1 1 3 3 VAL HG11 H 1 0.954 0.020 . 2 . . . . 3 VAL HG1 . 7014 1 16 . 1 1 3 3 VAL HG12 H 1 0.954 0.020 . 2 . . . . 3 VAL HG1 . 7014 1 17 . 1 1 3 3 VAL HG13 H 1 0.954 0.020 . 2 . . . . 3 VAL HG1 . 7014 1 18 . 1 1 3 3 VAL HG21 H 1 0.954 0.020 . 2 . . . . 3 VAL HG2 . 7014 1 19 . 1 1 3 3 VAL HG22 H 1 0.954 0.020 . 2 . . . . 3 VAL HG2 . 7014 1 20 . 1 1 3 3 VAL HG23 H 1 0.954 0.020 . 2 . . . . 3 VAL HG2 . 7014 1 21 . 1 1 3 3 VAL C C 13 174.155 0.400 . 1 . . . . 3 VAL C . 7014 1 22 . 1 1 3 3 VAL CA C 13 60.695 0.400 . 1 . . . . 3 VAL CA . 7014 1 23 . 1 1 3 3 VAL CB C 13 34.568 0.400 . 1 . . . . 3 VAL CB . 7014 1 24 . 1 1 3 3 VAL CG1 C 13 20.798 0.400 . 1 . . . . 3 VAL CG1 . 7014 1 25 . 1 1 3 3 VAL CG2 C 13 20.798 0.400 . 1 . . . . 3 VAL CG2 . 7014 1 26 . 1 1 3 3 VAL N N 15 119.835 0.400 . 1 . . . . 3 VAL N . 7014 1 27 . 1 1 4 4 GLN H H 1 8.696 0.020 . 1 . . . . 4 GLN H . 7014 1 28 . 1 1 4 4 GLN HA H 1 4.820 0.020 . 1 . . . . 4 GLN HA . 7014 1 29 . 1 1 4 4 GLN HB2 H 1 2.046 0.020 . 2 . . . . 4 GLN HB2 . 7014 1 30 . 1 1 4 4 GLN HB3 H 1 1.900 0.020 . 2 . . . . 4 GLN HB3 . 7014 1 31 . 1 1 4 4 GLN HG2 H 1 2.177 0.020 . 1 . . . . 4 GLN HG2 . 7014 1 32 . 1 1 4 4 GLN HG3 H 1 2.177 0.020 . 1 . . . . 4 GLN HG3 . 7014 1 33 . 1 1 4 4 GLN HE21 H 1 7.359 0.020 . 2 . . . . 4 GLN HE21 . 7014 1 34 . 1 1 4 4 GLN HE22 H 1 6.758 0.020 . 2 . . . . 4 GLN HE22 . 7014 1 35 . 1 1 4 4 GLN C C 13 174.876 0.400 . 1 . . . . 4 GLN C . 7014 1 36 . 1 1 4 4 GLN CA C 13 55.535 0.400 . 1 . . . . 4 GLN CA . 7014 1 37 . 1 1 4 4 GLN CB C 13 29.438 0.400 . 1 . . . . 4 GLN CB . 7014 1 38 . 1 1 4 4 GLN CG C 13 34.047 0.400 . 1 . . . . 4 GLN CG . 7014 1 39 . 1 1 4 4 GLN N N 15 126.744 0.400 . 1 . . . . 4 GLN N . 7014 1 40 . 1 1 4 4 GLN NE2 N 15 111.577 0.400 . 1 . . . . 4 GLN NE2 . 7014 1 41 . 1 1 5 5 LEU H H 1 8.953 0.020 . 1 . . . . 5 LEU H . 7014 1 42 . 1 1 5 5 LEU HA H 1 4.788 0.020 . 1 . . . . 5 LEU HA . 7014 1 43 . 1 1 5 5 LEU HB2 H 1 1.572 0.020 . 2 . . . . 5 LEU HB2 . 7014 1 44 . 1 1 5 5 LEU HB3 H 1 1.442 0.020 . 2 . . . . 5 LEU HB3 . 7014 1 45 . 1 1 5 5 LEU HG H 1 0.841 0.020 . 1 . . . . 5 LEU HG . 7014 1 46 . 1 1 5 5 LEU HD11 H 1 0.895 0.020 . 2 . . . . 5 LEU HD1 . 7014 1 47 . 1 1 5 5 LEU HD12 H 1 0.895 0.020 . 2 . . . . 5 LEU HD1 . 7014 1 48 . 1 1 5 5 LEU HD13 H 1 0.895 0.020 . 2 . . . . 5 LEU HD1 . 7014 1 49 . 1 1 5 5 LEU HD21 H 1 0.895 0.020 . 2 . . . . 5 LEU HD2 . 7014 1 50 . 1 1 5 5 LEU HD22 H 1 0.895 0.020 . 2 . . . . 5 LEU HD2 . 7014 1 51 . 1 1 5 5 LEU HD23 H 1 0.895 0.020 . 2 . . . . 5 LEU HD2 . 7014 1 52 . 1 1 5 5 LEU C C 13 175.468 0.400 . 1 . . . . 5 LEU C . 7014 1 53 . 1 1 5 5 LEU CA C 13 53.601 0.400 . 1 . . . . 5 LEU CA . 7014 1 54 . 1 1 5 5 LEU CB C 13 45.484 0.400 . 1 . . . . 5 LEU CB . 7014 1 55 . 1 1 5 5 LEU CG C 13 26.901 0.400 . 1 . . . . 5 LEU CG . 7014 1 56 . 1 1 5 5 LEU CD1 C 13 23.809 0.400 . 1 . . . . 5 LEU CD1 . 7014 1 57 . 1 1 5 5 LEU CD2 C 13 23.813 0.400 . 1 . . . . 5 LEU CD2 . 7014 1 58 . 1 1 5 5 LEU N N 15 126.778 0.400 . 1 . . . . 5 LEU N . 7014 1 59 . 1 1 6 6 SER H H 1 8.556 0.020 . 1 . . . . 6 SER H . 7014 1 60 . 1 1 6 6 SER HA H 1 5.104 0.020 . 1 . . . . 6 SER HA . 7014 1 61 . 1 1 6 6 SER HB2 H 1 3.758 0.020 . 2 . . . . 6 SER HB2 . 7014 1 62 . 1 1 6 6 SER HB3 H 1 3.633 0.020 . 2 . . . . 6 SER HB3 . 7014 1 63 . 1 1 6 6 SER C C 13 174.451 0.400 . 1 . . . . 6 SER C . 7014 1 64 . 1 1 6 6 SER CA C 13 56.297 0.400 . 1 . . . . 6 SER CA . 7014 1 65 . 1 1 6 6 SER CB C 13 63.326 0.400 . 1 . . . . 6 SER CB . 7014 1 66 . 1 1 6 6 SER N N 15 117.516 0.400 . 1 . . . . 6 SER N . 7014 1 67 . 1 1 7 7 LEU H H 1 9.155 0.020 . 1 . . . . 7 LEU H . 7014 1 68 . 1 1 7 7 LEU HA H 1 5.025 0.020 . 1 . . . . 7 LEU HA . 7014 1 69 . 1 1 7 7 LEU HB2 H 1 1.700 0.020 . 2 . . . . 7 LEU HB2 . 7014 1 70 . 1 1 7 7 LEU HB3 H 1 1.163 0.020 . 2 . . . . 7 LEU HB3 . 7014 1 71 . 1 1 7 7 LEU HG H 1 1.585 0.020 . 1 . . . . 7 LEU HG . 7014 1 72 . 1 1 7 7 LEU HD11 H 1 0.810 0.020 . 2 . . . . 7 LEU HD1 . 7014 1 73 . 1 1 7 7 LEU HD12 H 1 0.810 0.020 . 2 . . . . 7 LEU HD1 . 7014 1 74 . 1 1 7 7 LEU HD13 H 1 0.810 0.020 . 2 . . . . 7 LEU HD1 . 7014 1 75 . 1 1 7 7 LEU HD21 H 1 0.686 0.020 . 2 . . . . 7 LEU HD2 . 7014 1 76 . 1 1 7 7 LEU HD22 H 1 0.686 0.020 . 2 . . . . 7 LEU HD2 . 7014 1 77 . 1 1 7 7 LEU HD23 H 1 0.686 0.020 . 2 . . . . 7 LEU HD2 . 7014 1 78 . 1 1 7 7 LEU CA C 13 51.295 0.400 . 1 . . . . 7 LEU CA . 7014 1 79 . 1 1 7 7 LEU CB C 13 43.702 0.400 . 1 . . . . 7 LEU CB . 7014 1 80 . 1 1 7 7 LEU CG C 13 26.755 0.400 . 1 . . . . 7 LEU CG . 7014 1 81 . 1 1 7 7 LEU CD1 C 13 24.208 0.400 . 1 . . . . 7 LEU CD1 . 7014 1 82 . 1 1 7 7 LEU CD2 C 13 26.464 0.400 . 1 . . . . 7 LEU CD2 . 7014 1 83 . 1 1 7 7 LEU N N 15 127.200 0.400 . 1 . . . . 7 LEU N . 7014 1 84 . 1 1 8 8 PRO HA H 1 3.966 0.020 . 1 . . . . 8 PRO HA . 7014 1 85 . 1 1 8 8 PRO HB2 H 1 1.691 0.020 . 2 . . . . 8 PRO HB2 . 7014 1 86 . 1 1 8 8 PRO HB3 H 1 1.124 0.020 . 2 . . . . 8 PRO HB3 . 7014 1 87 . 1 1 8 8 PRO HG2 H 1 1.974 0.020 . 2 . . . . 8 PRO HG2 . 7014 1 88 . 1 1 8 8 PRO HG3 H 1 1.911 0.020 . 2 . . . . 8 PRO HG3 . 7014 1 89 . 1 1 8 8 PRO HD2 H 1 4.361 0.020 . 2 . . . . 8 PRO HD2 . 7014 1 90 . 1 1 8 8 PRO HD3 H 1 4.044 0.020 . 2 . . . . 8 PRO HD3 . 7014 1 91 . 1 1 8 8 PRO C C 13 174.358 0.400 . 1 . . . . 8 PRO C . 7014 1 92 . 1 1 8 8 PRO CA C 13 61.916 0.400 . 1 . . . . 8 PRO CA . 7014 1 93 . 1 1 8 8 PRO CB C 13 31.867 0.400 . 1 . . . . 8 PRO CB . 7014 1 94 . 1 1 8 8 PRO CG C 13 26.705 0.400 . 1 . . . . 8 PRO CG . 7014 1 95 . 1 1 8 8 PRO CD C 13 50.394 0.400 . 1 . . . . 8 PRO CD . 7014 1 96 . 1 1 9 9 VAL H H 1 8.424 0.020 . 1 . . . . 9 VAL H . 7014 1 97 . 1 1 9 9 VAL HA H 1 4.696 0.020 . 1 . . . . 9 VAL HA . 7014 1 98 . 1 1 9 9 VAL HB H 1 1.493 0.020 . 1 . . . . 9 VAL HB . 7014 1 99 . 1 1 9 9 VAL HG11 H 1 0.791 0.020 . 2 . . . . 9 VAL HG1 . 7014 1 100 . 1 1 9 9 VAL HG12 H 1 0.791 0.020 . 2 . . . . 9 VAL HG1 . 7014 1 101 . 1 1 9 9 VAL HG13 H 1 0.791 0.020 . 2 . . . . 9 VAL HG1 . 7014 1 102 . 1 1 9 9 VAL HG21 H 1 0.657 0.020 . 2 . . . . 9 VAL HG2 . 7014 1 103 . 1 1 9 9 VAL HG22 H 1 0.657 0.020 . 2 . . . . 9 VAL HG2 . 7014 1 104 . 1 1 9 9 VAL HG23 H 1 0.657 0.020 . 2 . . . . 9 VAL HG2 . 7014 1 105 . 1 1 9 9 VAL C C 13 174.987 0.400 . 1 . . . . 9 VAL C . 7014 1 106 . 1 1 9 9 VAL CA C 13 60.728 0.400 . 1 . . . . 9 VAL CA . 7014 1 107 . 1 1 9 9 VAL CB C 13 31.671 0.400 . 1 . . . . 9 VAL CB . 7014 1 108 . 1 1 9 9 VAL CG1 C 13 21.608 0.400 . 1 . . . . 9 VAL CG1 . 7014 1 109 . 1 1 9 9 VAL CG2 C 13 21.932 0.400 . 1 . . . . 9 VAL CG2 . 7014 1 110 . 1 1 9 9 VAL N N 15 124.945 0.400 . 1 . . . . 9 VAL N . 7014 1 111 . 1 1 10 10 LEU H H 1 8.683 0.020 . 1 . . . . 10 LEU H . 7014 1 112 . 1 1 10 10 LEU HA H 1 4.644 0.020 . 1 . . . . 10 LEU HA . 7014 1 113 . 1 1 10 10 LEU HB2 H 1 1.191 0.020 . 2 . . . . 10 LEU HB2 . 7014 1 114 . 1 1 10 10 LEU HB3 H 1 1.161 0.020 . 2 . . . . 10 LEU HB3 . 7014 1 115 . 1 1 10 10 LEU HG H 1 1.364 0.020 . 1 . . . . 10 LEU HG . 7014 1 116 . 1 1 10 10 LEU HD11 H 1 0.619 0.020 . 2 . . . . 10 LEU HD1 . 7014 1 117 . 1 1 10 10 LEU HD12 H 1 0.619 0.020 . 2 . . . . 10 LEU HD1 . 7014 1 118 . 1 1 10 10 LEU HD13 H 1 0.619 0.020 . 2 . . . . 10 LEU HD1 . 7014 1 119 . 1 1 10 10 LEU HD21 H 1 0.300 0.020 . 2 . . . . 10 LEU HD2 . 7014 1 120 . 1 1 10 10 LEU HD22 H 1 0.300 0.020 . 2 . . . . 10 LEU HD2 . 7014 1 121 . 1 1 10 10 LEU HD23 H 1 0.300 0.020 . 2 . . . . 10 LEU HD2 . 7014 1 122 . 1 1 10 10 LEU C C 13 176.411 0.400 . 1 . . . . 10 LEU C . 7014 1 123 . 1 1 10 10 LEU CA C 13 51.674 0.400 . 1 . . . . 10 LEU CA . 7014 1 124 . 1 1 10 10 LEU CB C 13 43.134 0.400 . 1 . . . . 10 LEU CB . 7014 1 125 . 1 1 10 10 LEU CG C 13 27.332 0.400 . 1 . . . . 10 LEU CG . 7014 1 126 . 1 1 10 10 LEU CD1 C 13 25.497 0.400 . 1 . . . . 10 LEU CD1 . 7014 1 127 . 1 1 10 10 LEU CD2 C 13 22.029 0.400 . 1 . . . . 10 LEU CD2 . 7014 1 128 . 1 1 10 10 LEU N N 15 125.971 0.400 . 1 . . . . 10 LEU N . 7014 1 129 . 1 1 11 11 GLN H H 1 9.070 0.020 . 1 . . . . 11 GLN H . 7014 1 130 . 1 1 11 11 GLN HA H 1 4.439 0.020 . 1 . . . . 11 GLN HA . 7014 1 131 . 1 1 11 11 GLN HB2 H 1 2.125 0.020 . 2 . . . . 11 GLN HB2 . 7014 1 132 . 1 1 11 11 GLN HB3 H 1 1.956 0.020 . 2 . . . . 11 GLN HB3 . 7014 1 133 . 1 1 11 11 GLN HG2 H 1 2.423 0.020 . 2 . . . . 11 GLN HG2 . 7014 1 134 . 1 1 11 11 GLN HG3 H 1 2.284 0.020 . 2 . . . . 11 GLN HG3 . 7014 1 135 . 1 1 11 11 GLN HE21 H 1 7.683 0.020 . 2 . . . . 11 GLN HE21 . 7014 1 136 . 1 1 11 11 GLN HE22 H 1 6.878 0.020 . 2 . . . . 11 GLN HE22 . 7014 1 137 . 1 1 11 11 GLN C C 13 178.426 0.400 . 1 . . . . 11 GLN C . 7014 1 138 . 1 1 11 11 GLN CA C 13 54.986 0.400 . 1 . . . . 11 GLN CA . 7014 1 139 . 1 1 11 11 GLN CB C 13 29.216 0.400 . 1 . . . . 11 GLN CB . 7014 1 140 . 1 1 11 11 GLN CG C 13 35.069 0.400 . 1 . . . . 11 GLN CG . 7014 1 141 . 1 1 11 11 GLN N N 15 121.326 0.400 . 1 . . . . 11 GLN N . 7014 1 142 . 1 1 11 11 GLN NE2 N 15 112.070 0.400 . 1 . . . . 11 GLN NE2 . 7014 1 143 . 1 1 12 12 VAL H H 1 9.124 0.020 . 1 . . . . 12 VAL H . 7014 1 144 . 1 1 12 12 VAL HA H 1 3.715 0.020 . 1 . . . . 12 VAL HA . 7014 1 145 . 1 1 12 12 VAL HB H 1 2.120 0.020 . 1 . . . . 12 VAL HB . 7014 1 146 . 1 1 12 12 VAL HG11 H 1 0.995 0.020 . 2 . . . . 12 VAL HG1 . 7014 1 147 . 1 1 12 12 VAL HG12 H 1 0.995 0.020 . 2 . . . . 12 VAL HG1 . 7014 1 148 . 1 1 12 12 VAL HG13 H 1 0.995 0.020 . 2 . . . . 12 VAL HG1 . 7014 1 149 . 1 1 12 12 VAL HG21 H 1 0.936 0.020 . 2 . . . . 12 VAL HG2 . 7014 1 150 . 1 1 12 12 VAL HG22 H 1 0.936 0.020 . 2 . . . . 12 VAL HG2 . 7014 1 151 . 1 1 12 12 VAL HG23 H 1 0.936 0.020 . 2 . . . . 12 VAL HG2 . 7014 1 152 . 1 1 12 12 VAL C C 13 175.819 0.400 . 1 . . . . 12 VAL C . 7014 1 153 . 1 1 12 12 VAL CA C 13 65.479 0.400 . 1 . . . . 12 VAL CA . 7014 1 154 . 1 1 12 12 VAL CB C 13 30.990 0.400 . 1 . . . . 12 VAL CB . 7014 1 155 . 1 1 12 12 VAL CG1 C 13 19.529 0.400 . 1 . . . . 12 VAL CG1 . 7014 1 156 . 1 1 12 12 VAL CG2 C 13 23.074 0.400 . 1 . . . . 12 VAL CG2 . 7014 1 157 . 1 1 12 12 VAL N N 15 126.672 0.400 . 1 . . . . 12 VAL N . 7014 1 158 . 1 1 13 13 ARG H H 1 8.056 0.020 . 1 . . . . 13 ARG H . 7014 1 159 . 1 1 13 13 ARG HA H 1 4.163 0.020 . 1 . . . . 13 ARG HA . 7014 1 160 . 1 1 13 13 ARG HB2 H 1 1.824 0.020 . 2 . . . . 13 ARG HB2 . 7014 1 161 . 1 1 13 13 ARG HB3 H 1 1.792 0.020 . 2 . . . . 13 ARG HB3 . 7014 1 162 . 1 1 13 13 ARG HG2 H 1 1.662 0.020 . 2 . . . . 13 ARG HG2 . 7014 1 163 . 1 1 13 13 ARG HG3 H 1 1.592 0.020 . 2 . . . . 13 ARG HG3 . 7014 1 164 . 1 1 13 13 ARG HD2 H 1 3.158 0.020 . 1 . . . . 13 ARG HD2 . 7014 1 165 . 1 1 13 13 ARG HD3 H 1 3.158 0.020 . 1 . . . . 13 ARG HD3 . 7014 1 166 . 1 1 13 13 ARG C C 13 176.817 0.400 . 1 . . . . 13 ARG C . 7014 1 167 . 1 1 13 13 ARG CA C 13 57.785 0.400 . 1 . . . . 13 ARG CA . 7014 1 168 . 1 1 13 13 ARG CB C 13 29.645 0.400 . 1 . . . . 13 ARG CB . 7014 1 169 . 1 1 13 13 ARG CG C 13 27.172 0.400 . 1 . . . . 13 ARG CG . 7014 1 170 . 1 1 13 13 ARG CD C 13 43.399 0.400 . 1 . . . . 13 ARG CD . 7014 1 171 . 1 1 13 13 ARG N N 15 117.730 0.400 . 1 . . . . 13 ARG N . 7014 1 172 . 1 1 14 14 ASP H H 1 7.719 0.020 . 1 . . . . 14 ASP H . 7014 1 173 . 1 1 14 14 ASP HA H 1 4.521 0.020 . 1 . . . . 14 ASP HA . 7014 1 174 . 1 1 14 14 ASP HB2 H 1 2.864 0.020 . 2 . . . . 14 ASP HB2 . 7014 1 175 . 1 1 14 14 ASP HB3 H 1 2.752 0.020 . 2 . . . . 14 ASP HB3 . 7014 1 176 . 1 1 14 14 ASP C C 13 176.318 0.400 . 1 . . . . 14 ASP C . 7014 1 177 . 1 1 14 14 ASP CA C 13 54.533 0.400 . 1 . . . . 14 ASP CA . 7014 1 178 . 1 1 14 14 ASP CB C 13 42.065 0.400 . 1 . . . . 14 ASP CB . 7014 1 179 . 1 1 14 14 ASP N N 15 117.112 0.400 . 1 . . . . 14 ASP N . 7014 1 180 . 1 1 15 15 VAL H H 1 6.866 0.020 . 1 . . . . 15 VAL H . 7014 1 181 . 1 1 15 15 VAL HA H 1 3.864 0.020 . 1 . . . . 15 VAL HA . 7014 1 182 . 1 1 15 15 VAL HB H 1 1.850 0.020 . 1 . . . . 15 VAL HB . 7014 1 183 . 1 1 15 15 VAL HG11 H 1 0.849 0.020 . 2 . . . . 15 VAL HG1 . 7014 1 184 . 1 1 15 15 VAL HG12 H 1 0.849 0.020 . 2 . . . . 15 VAL HG1 . 7014 1 185 . 1 1 15 15 VAL HG13 H 1 0.849 0.020 . 2 . . . . 15 VAL HG1 . 7014 1 186 . 1 1 15 15 VAL HG21 H 1 0.707 0.020 . 2 . . . . 15 VAL HG2 . 7014 1 187 . 1 1 15 15 VAL HG22 H 1 0.707 0.020 . 2 . . . . 15 VAL HG2 . 7014 1 188 . 1 1 15 15 VAL HG23 H 1 0.707 0.020 . 2 . . . . 15 VAL HG2 . 7014 1 189 . 1 1 15 15 VAL C C 13 177.224 0.400 . 1 . . . . 15 VAL C . 7014 1 190 . 1 1 15 15 VAL CA C 13 63.878 0.400 . 1 . . . . 15 VAL CA . 7014 1 191 . 1 1 15 15 VAL CB C 13 31.782 0.400 . 1 . . . . 15 VAL CB . 7014 1 192 . 1 1 15 15 VAL CG1 C 13 23.570 0.400 . 1 . . . . 15 VAL CG1 . 7014 1 193 . 1 1 15 15 VAL CG2 C 13 23.350 0.400 . 1 . . . . 15 VAL CG2 . 7014 1 194 . 1 1 15 15 VAL N N 15 118.379 0.400 . 1 . . . . 15 VAL N . 7014 1 195 . 1 1 16 16 LEU H H 1 9.441 0.020 . 1 . . . . 16 LEU H . 7014 1 196 . 1 1 16 16 LEU HA H 1 4.205 0.020 . 1 . . . . 16 LEU HA . 7014 1 197 . 1 1 16 16 LEU HB2 H 1 1.739 0.020 . 2 . . . . 16 LEU HB2 . 7014 1 198 . 1 1 16 16 LEU HB3 H 1 1.442 0.020 . 2 . . . . 16 LEU HB3 . 7014 1 199 . 1 1 16 16 LEU HG H 1 1.760 0.020 . 1 . . . . 16 LEU HG . 7014 1 200 . 1 1 16 16 LEU HD11 H 1 0.888 0.020 . 2 . . . . 16 LEU HD1 . 7014 1 201 . 1 1 16 16 LEU HD12 H 1 0.888 0.020 . 2 . . . . 16 LEU HD1 . 7014 1 202 . 1 1 16 16 LEU HD13 H 1 0.888 0.020 . 2 . . . . 16 LEU HD1 . 7014 1 203 . 1 1 16 16 LEU HD21 H 1 0.850 0.020 . 2 . . . . 16 LEU HD2 . 7014 1 204 . 1 1 16 16 LEU HD22 H 1 0.850 0.020 . 2 . . . . 16 LEU HD2 . 7014 1 205 . 1 1 16 16 LEU HD23 H 1 0.850 0.020 . 2 . . . . 16 LEU HD2 . 7014 1 206 . 1 1 16 16 LEU C C 13 177.853 0.400 . 1 . . . . 16 LEU C . 7014 1 207 . 1 1 16 16 LEU CA C 13 57.164 0.400 . 1 . . . . 16 LEU CA . 7014 1 208 . 1 1 16 16 LEU CB C 13 42.712 0.400 . 1 . . . . 16 LEU CB . 7014 1 209 . 1 1 16 16 LEU CG C 13 27.029 0.400 . 1 . . . . 16 LEU CG . 7014 1 210 . 1 1 16 16 LEU CD1 C 13 24.653 0.400 . 1 . . . . 16 LEU CD1 . 7014 1 211 . 1 1 16 16 LEU CD2 C 13 23.563 0.400 . 1 . . . . 16 LEU CD2 . 7014 1 212 . 1 1 16 16 LEU N N 15 131.970 0.400 . 1 . . . . 16 LEU N . 7014 1 213 . 1 1 17 17 VAL H H 1 10.090 0.020 . 1 . . . . 17 VAL H . 7014 1 214 . 1 1 17 17 VAL HA H 1 4.030 0.020 . 1 . . . . 17 VAL HA . 7014 1 215 . 1 1 17 17 VAL HB H 1 1.943 0.020 . 1 . . . . 17 VAL HB . 7014 1 216 . 1 1 17 17 VAL HG11 H 1 0.955 0.020 . 2 . . . . 17 VAL HG1 . 7014 1 217 . 1 1 17 17 VAL HG12 H 1 0.955 0.020 . 2 . . . . 17 VAL HG1 . 7014 1 218 . 1 1 17 17 VAL HG13 H 1 0.955 0.020 . 2 . . . . 17 VAL HG1 . 7014 1 219 . 1 1 17 17 VAL HG21 H 1 0.815 0.020 . 2 . . . . 17 VAL HG2 . 7014 1 220 . 1 1 17 17 VAL HG22 H 1 0.815 0.020 . 2 . . . . 17 VAL HG2 . 7014 1 221 . 1 1 17 17 VAL HG23 H 1 0.815 0.020 . 2 . . . . 17 VAL HG2 . 7014 1 222 . 1 1 17 17 VAL C C 13 174.820 0.400 . 1 . . . . 17 VAL C . 7014 1 223 . 1 1 17 17 VAL CA C 13 62.609 0.400 . 1 . . . . 17 VAL CA . 7014 1 224 . 1 1 17 17 VAL CB C 13 31.576 0.400 . 1 . . . . 17 VAL CB . 7014 1 225 . 1 1 17 17 VAL CG1 C 13 22.522 0.400 . 1 . . . . 17 VAL CG1 . 7014 1 226 . 1 1 17 17 VAL CG2 C 13 20.478 0.400 . 1 . . . . 17 VAL CG2 . 7014 1 227 . 1 1 17 17 VAL N N 15 126.808 0.400 . 1 . . . . 17 VAL N . 7014 1 228 . 1 1 18 18 ARG H H 1 8.014 0.020 . 1 . . . . 18 ARG H . 7014 1 229 . 1 1 18 18 ARG HA H 1 3.944 0.020 . 1 . . . . 18 ARG HA . 7014 1 230 . 1 1 18 18 ARG HB2 H 1 1.561 0.020 . 2 . . . . 18 ARG HB2 . 7014 1 231 . 1 1 18 18 ARG HB3 H 1 2.187 0.020 . 2 . . . . 18 ARG HB3 . 7014 1 232 . 1 1 18 18 ARG HG2 H 1 1.266 0.020 . 2 . . . . 18 ARG HG2 . 7014 1 233 . 1 1 18 18 ARG HG3 H 1 1.537 0.020 . 2 . . . . 18 ARG HG3 . 7014 1 234 . 1 1 18 18 ARG HD2 H 1 3.390 0.020 . 2 . . . . 18 ARG HD2 . 7014 1 235 . 1 1 18 18 ARG HD3 H 1 3.270 0.020 . 2 . . . . 18 ARG HD3 . 7014 1 236 . 1 1 18 18 ARG HE H 1 7.206 0.020 . 1 . . . . 18 ARG HE . 7014 1 237 . 1 1 18 18 ARG C C 13 175.116 0.400 . 1 . . . . 18 ARG C . 7014 1 238 . 1 1 18 18 ARG CA C 13 56.797 0.400 . 1 . . . . 18 ARG CA . 7014 1 239 . 1 1 18 18 ARG CB C 13 29.880 0.400 . 1 . . . . 18 ARG CB . 7014 1 240 . 1 1 18 18 ARG CG C 13 29.397 0.400 . 1 . . . . 18 ARG CG . 7014 1 241 . 1 1 18 18 ARG CD C 13 43.132 0.400 . 1 . . . . 18 ARG CD . 7014 1 242 . 1 1 18 18 ARG N N 15 119.791 0.400 . 1 . . . . 18 ARG N . 7014 1 243 . 1 1 18 18 ARG NE N 15 86.175 0.400 . 1 . . . . 18 ARG NE . 7014 1 244 . 1 1 19 19 GLY H H 1 7.153 0.020 . 1 . . . . 19 GLY H . 7014 1 245 . 1 1 19 19 GLY HA2 H 1 4.326 0.020 . 2 . . . . 19 GLY HA2 . 7014 1 246 . 1 1 19 19 GLY HA3 H 1 3.857 0.020 . 2 . . . . 19 GLY HA3 . 7014 1 247 . 1 1 19 19 GLY C C 13 171.825 0.400 . 1 . . . . 19 GLY C . 7014 1 248 . 1 1 19 19 GLY CA C 13 45.274 0.400 . 1 . . . . 19 GLY CA . 7014 1 249 . 1 1 19 19 GLY N N 15 105.827 0.400 . 1 . . . . 19 GLY N . 7014 1 250 . 1 1 20 20 PHE H H 1 9.965 0.020 . 1 . . . . 20 PHE H . 7014 1 251 . 1 1 20 20 PHE HA H 1 4.527 0.020 . 1 . . . . 20 PHE HA . 7014 1 252 . 1 1 20 20 PHE HB2 H 1 3.532 0.020 . 2 . . . . 20 PHE HB2 . 7014 1 253 . 1 1 20 20 PHE HB3 H 1 2.844 0.020 . 2 . . . . 20 PHE HB3 . 7014 1 254 . 1 1 20 20 PHE HD1 H 1 7.124 0.020 . 1 . . . . 20 PHE HD1 . 7014 1 255 . 1 1 20 20 PHE HD2 H 1 7.124 0.020 . 1 . . . . 20 PHE HD2 . 7014 1 256 . 1 1 20 20 PHE HE1 H 1 6.586 0.020 . 1 . . . . 20 PHE HE1 . 7014 1 257 . 1 1 20 20 PHE HE2 H 1 6.586 0.020 . 1 . . . . 20 PHE HE2 . 7014 1 258 . 1 1 20 20 PHE HZ H 1 7.030 0.020 . 1 . . . . 20 PHE HZ . 7014 1 259 . 1 1 20 20 PHE C C 13 176.133 0.400 . 1 . . . . 20 PHE C . 7014 1 260 . 1 1 20 20 PHE CA C 13 59.441 0.400 . 1 . . . . 20 PHE CA . 7014 1 261 . 1 1 20 20 PHE CB C 13 42.286 0.400 . 1 . . . . 20 PHE CB . 7014 1 262 . 1 1 20 20 PHE CD1 C 13 131.434 0.400 . 1 . . . . 20 PHE CD1 . 7014 1 263 . 1 1 20 20 PHE CD2 C 13 131.434 0.400 . 1 . . . . 20 PHE CD2 . 7014 1 264 . 1 1 20 20 PHE CE1 C 13 130.868 0.400 . 1 . . . . 20 PHE CE1 . 7014 1 265 . 1 1 20 20 PHE CE2 C 13 130.868 0.400 . 1 . . . . 20 PHE CE2 . 7014 1 266 . 1 1 20 20 PHE CZ C 13 128.430 0.400 . 1 . . . . 20 PHE CZ . 7014 1 267 . 1 1 20 20 PHE N N 15 116.295 0.400 . 1 . . . . 20 PHE N . 7014 1 268 . 1 1 21 21 GLY H H 1 7.309 0.020 . 1 . . . . 21 GLY H . 7014 1 269 . 1 1 21 21 GLY HA2 H 1 4.053 0.020 . 2 . . . . 21 GLY HA2 . 7014 1 270 . 1 1 21 21 GLY HA3 H 1 3.884 0.020 . 2 . . . . 21 GLY HA3 . 7014 1 271 . 1 1 21 21 GLY C C 13 171.917 0.400 . 1 . . . . 21 GLY C . 7014 1 272 . 1 1 21 21 GLY CA C 13 45.583 0.400 . 1 . . . . 21 GLY CA . 7014 1 273 . 1 1 21 21 GLY N N 15 103.792 0.400 . 1 . . . . 21 GLY N . 7014 1 274 . 1 1 22 22 ASP H H 1 8.589 0.020 . 1 . . . . 22 ASP H . 7014 1 275 . 1 1 22 22 ASP HA H 1 4.792 0.020 . 1 . . . . 22 ASP HA . 7014 1 276 . 1 1 22 22 ASP HB2 H 1 2.720 0.020 . 1 . . . . 22 ASP HB2 . 7014 1 277 . 1 1 22 22 ASP HB3 H 1 2.720 0.020 . 1 . . . . 22 ASP HB3 . 7014 1 278 . 1 1 22 22 ASP C C 13 175.542 0.400 . 1 . . . . 22 ASP C . 7014 1 279 . 1 1 22 22 ASP CA C 13 54.885 0.400 . 1 . . . . 22 ASP CA . 7014 1 280 . 1 1 22 22 ASP CB C 13 41.920 0.400 . 1 . . . . 22 ASP CB . 7014 1 281 . 1 1 22 22 ASP N N 15 116.126 0.400 . 1 . . . . 22 ASP N . 7014 1 282 . 1 1 23 23 SER H H 1 7.476 0.020 . 1 . . . . 23 SER H . 7014 1 283 . 1 1 23 23 SER HA H 1 4.746 0.020 . 1 . . . . 23 SER HA . 7014 1 284 . 1 1 23 23 SER HB2 H 1 4.191 0.020 . 2 . . . . 23 SER HB2 . 7014 1 285 . 1 1 23 23 SER HB3 H 1 3.898 0.020 . 2 . . . . 23 SER HB3 . 7014 1 286 . 1 1 23 23 SER C C 13 174.303 0.400 . 1 . . . . 23 SER C . 7014 1 287 . 1 1 23 23 SER CA C 13 55.522 0.400 . 1 . . . . 23 SER CA . 7014 1 288 . 1 1 23 23 SER CB C 13 66.126 0.400 . 1 . . . . 23 SER CB . 7014 1 289 . 1 1 23 23 SER N N 15 111.603 0.400 . 1 . . . . 23 SER N . 7014 1 290 . 1 1 24 24 VAL H H 1 9.130 0.020 . 1 . . . . 24 VAL H . 7014 1 291 . 1 1 24 24 VAL HA H 1 3.269 0.020 . 1 . . . . 24 VAL HA . 7014 1 292 . 1 1 24 24 VAL HB H 1 2.028 0.020 . 1 . . . . 24 VAL HB . 7014 1 293 . 1 1 24 24 VAL HG11 H 1 0.964 0.020 . 2 . . . . 24 VAL HG1 . 7014 1 294 . 1 1 24 24 VAL HG12 H 1 0.964 0.020 . 2 . . . . 24 VAL HG1 . 7014 1 295 . 1 1 24 24 VAL HG13 H 1 0.964 0.020 . 2 . . . . 24 VAL HG1 . 7014 1 296 . 1 1 24 24 VAL HG21 H 1 0.871 0.020 . 2 . . . . 24 VAL HG2 . 7014 1 297 . 1 1 24 24 VAL HG22 H 1 0.871 0.020 . 2 . . . . 24 VAL HG2 . 7014 1 298 . 1 1 24 24 VAL HG23 H 1 0.871 0.020 . 2 . . . . 24 VAL HG2 . 7014 1 299 . 1 1 24 24 VAL C C 13 176.614 0.400 . 1 . . . . 24 VAL C . 7014 1 300 . 1 1 24 24 VAL CA C 13 67.702 0.400 . 1 . . . . 24 VAL CA . 7014 1 301 . 1 1 24 24 VAL CB C 13 31.470 0.400 . 1 . . . . 24 VAL CB . 7014 1 302 . 1 1 24 24 VAL CG1 C 13 22.196 0.400 . 1 . . . . 24 VAL CG1 . 7014 1 303 . 1 1 24 24 VAL CG2 C 13 21.385 0.400 . 1 . . . . 24 VAL CG2 . 7014 1 304 . 1 1 24 24 VAL N N 15 122.747 0.400 . 1 . . . . 24 VAL N . 7014 1 305 . 1 1 25 25 GLU H H 1 8.810 0.020 . 1 . . . . 25 GLU H . 7014 1 306 . 1 1 25 25 GLU HA H 1 3.953 0.020 . 1 . . . . 25 GLU HA . 7014 1 307 . 1 1 25 25 GLU HB2 H 1 2.028 0.020 . 2 . . . . 25 GLU HB2 . 7014 1 308 . 1 1 25 25 GLU HB3 H 1 1.952 0.020 . 2 . . . . 25 GLU HB3 . 7014 1 309 . 1 1 25 25 GLU HG2 H 1 2.381 0.020 . 2 . . . . 25 GLU HG2 . 7014 1 310 . 1 1 25 25 GLU HG3 H 1 2.293 0.020 . 2 . . . . 25 GLU HG3 . 7014 1 311 . 1 1 25 25 GLU C C 13 179.684 0.400 . 1 . . . . 25 GLU C . 7014 1 312 . 1 1 25 25 GLU CA C 13 60.082 0.400 . 1 . . . . 25 GLU CA . 7014 1 313 . 1 1 25 25 GLU CB C 13 28.853 0.400 . 1 . . . . 25 GLU CB . 7014 1 314 . 1 1 25 25 GLU CG C 13 36.640 0.400 . 1 . . . . 25 GLU CG . 7014 1 315 . 1 1 25 25 GLU N N 15 117.430 0.400 . 1 . . . . 25 GLU N . 7014 1 316 . 1 1 26 26 GLU H H 1 7.581 0.020 . 1 . . . . 26 GLU H . 7014 1 317 . 1 1 26 26 GLU HA H 1 4.121 0.020 . 1 . . . . 26 GLU HA . 7014 1 318 . 1 1 26 26 GLU HB2 H 1 2.062 0.020 . 2 . . . . 26 GLU HB2 . 7014 1 319 . 1 1 26 26 GLU HB3 H 1 2.007 0.020 . 2 . . . . 26 GLU HB3 . 7014 1 320 . 1 1 26 26 GLU HG2 H 1 2.362 0.020 . 2 . . . . 26 GLU HG2 . 7014 1 321 . 1 1 26 26 GLU HG3 H 1 2.294 0.020 . 2 . . . . 26 GLU HG3 . 7014 1 322 . 1 1 26 26 GLU C C 13 177.779 0.400 . 1 . . . . 26 GLU C . 7014 1 323 . 1 1 26 26 GLU CA C 13 58.686 0.400 . 1 . . . . 26 GLU CA . 7014 1 324 . 1 1 26 26 GLU CB C 13 30.635 0.400 . 1 . . . . 26 GLU CB . 7014 1 325 . 1 1 26 26 GLU CG C 13 36.778 0.400 . 1 . . . . 26 GLU CG . 7014 1 326 . 1 1 26 26 GLU N N 15 119.831 0.400 . 1 . . . . 26 GLU N . 7014 1 327 . 1 1 27 27 ALA H H 1 8.523 0.020 . 1 . . . . 27 ALA H . 7014 1 328 . 1 1 27 27 ALA HA H 1 3.835 0.020 . 1 . . . . 27 ALA HA . 7014 1 329 . 1 1 27 27 ALA HB1 H 1 1.245 0.020 . 1 . . . . 27 ALA HB . 7014 1 330 . 1 1 27 27 ALA HB2 H 1 1.245 0.020 . 1 . . . . 27 ALA HB . 7014 1 331 . 1 1 27 27 ALA HB3 H 1 1.245 0.020 . 1 . . . . 27 ALA HB . 7014 1 332 . 1 1 27 27 ALA C C 13 179.166 0.400 . 1 . . . . 27 ALA C . 7014 1 333 . 1 1 27 27 ALA CA C 13 54.760 0.400 . 1 . . . . 27 ALA CA . 7014 1 334 . 1 1 27 27 ALA CB C 13 17.512 0.400 . 1 . . . . 27 ALA CB . 7014 1 335 . 1 1 27 27 ALA N N 15 120.787 0.400 . 1 . . . . 27 ALA N . 7014 1 336 . 1 1 28 28 LEU H H 1 8.003 0.020 . 1 . . . . 28 LEU H . 7014 1 337 . 1 1 28 28 LEU HA H 1 3.774 0.020 . 1 . . . . 28 LEU HA . 7014 1 338 . 1 1 28 28 LEU HB2 H 1 1.724 0.020 . 2 . . . . 28 LEU HB2 . 7014 1 339 . 1 1 28 28 LEU HB3 H 1 1.458 0.020 . 2 . . . . 28 LEU HB3 . 7014 1 340 . 1 1 28 28 LEU HG H 1 1.552 0.020 . 1 . . . . 28 LEU HG . 7014 1 341 . 1 1 28 28 LEU HD11 H 1 0.831 0.020 . 2 . . . . 28 LEU HD1 . 7014 1 342 . 1 1 28 28 LEU HD12 H 1 0.831 0.020 . 2 . . . . 28 LEU HD1 . 7014 1 343 . 1 1 28 28 LEU HD13 H 1 0.831 0.020 . 2 . . . . 28 LEU HD1 . 7014 1 344 . 1 1 28 28 LEU HD21 H 1 0.774 0.020 . 2 . . . . 28 LEU HD2 . 7014 1 345 . 1 1 28 28 LEU HD22 H 1 0.774 0.020 . 2 . . . . 28 LEU HD2 . 7014 1 346 . 1 1 28 28 LEU HD23 H 1 0.774 0.020 . 2 . . . . 28 LEU HD2 . 7014 1 347 . 1 1 28 28 LEU C C 13 178.519 0.400 . 1 . . . . 28 LEU C . 7014 1 348 . 1 1 28 28 LEU CA C 13 57.878 0.400 . 1 . . . . 28 LEU CA . 7014 1 349 . 1 1 28 28 LEU CB C 13 42.246 0.400 . 1 . . . . 28 LEU CB . 7014 1 350 . 1 1 28 28 LEU CG C 13 26.954 0.400 . 1 . . . . 28 LEU CG . 7014 1 351 . 1 1 28 28 LEU CD1 C 13 25.151 0.400 . 1 . . . . 28 LEU CD1 . 7014 1 352 . 1 1 28 28 LEU CD2 C 13 24.183 0.400 . 1 . . . . 28 LEU CD2 . 7014 1 353 . 1 1 28 28 LEU N N 15 116.196 0.400 . 1 . . . . 28 LEU N . 7014 1 354 . 1 1 29 29 SER H H 1 7.592 0.020 . 1 . . . . 29 SER H . 7014 1 355 . 1 1 29 29 SER HA H 1 4.057 0.020 . 1 . . . . 29 SER HA . 7014 1 356 . 1 1 29 29 SER HB2 H 1 3.996 0.020 . 1 . . . . 29 SER HB2 . 7014 1 357 . 1 1 29 29 SER HB3 H 1 3.996 0.020 . 1 . . . . 29 SER HB3 . 7014 1 358 . 1 1 29 29 SER C C 13 178.167 0.400 . 1 . . . . 29 SER C . 7014 1 359 . 1 1 29 29 SER CA C 13 61.677 0.400 . 1 . . . . 29 SER CA . 7014 1 360 . 1 1 29 29 SER CB C 13 62.505 0.400 . 1 . . . . 29 SER CB . 7014 1 361 . 1 1 29 29 SER N N 15 113.223 0.400 . 1 . . . . 29 SER N . 7014 1 362 . 1 1 30 30 GLU H H 1 8.524 0.020 . 1 . . . . 30 GLU H . 7014 1 363 . 1 1 30 30 GLU HA H 1 4.187 0.020 . 1 . . . . 30 GLU HA . 7014 1 364 . 1 1 30 30 GLU HB2 H 1 2.322 0.020 . 2 . . . . 30 GLU HB2 . 7014 1 365 . 1 1 30 30 GLU HB3 H 1 2.236 0.020 . 2 . . . . 30 GLU HB3 . 7014 1 366 . 1 1 30 30 GLU HG2 H 1 2.571 0.020 . 2 . . . . 30 GLU HG2 . 7014 1 367 . 1 1 30 30 GLU HG3 H 1 2.601 0.020 . 2 . . . . 30 GLU HG3 . 7014 1 368 . 1 1 30 30 GLU C C 13 179.388 0.400 . 1 . . . . 30 GLU C . 7014 1 369 . 1 1 30 30 GLU CA C 13 58.543 0.400 . 1 . . . . 30 GLU CA . 7014 1 370 . 1 1 30 30 GLU CB C 13 30.416 0.400 . 1 . . . . 30 GLU CB . 7014 1 371 . 1 1 30 30 GLU CG C 13 36.578 0.400 . 1 . . . . 30 GLU CG . 7014 1 372 . 1 1 30 30 GLU N N 15 121.220 0.400 . 1 . . . . 30 GLU N . 7014 1 373 . 1 1 31 31 ALA H H 1 8.386 0.020 . 1 . . . . 31 ALA H . 7014 1 374 . 1 1 31 31 ALA HA H 1 2.730 0.020 . 1 . . . . 31 ALA HA . 7014 1 375 . 1 1 31 31 ALA HB1 H 1 0.766 0.020 . 1 . . . . 31 ALA HB . 7014 1 376 . 1 1 31 31 ALA HB2 H 1 0.766 0.020 . 1 . . . . 31 ALA HB . 7014 1 377 . 1 1 31 31 ALA HB3 H 1 0.766 0.020 . 1 . . . . 31 ALA HB . 7014 1 378 . 1 1 31 31 ALA C C 13 179.369 0.400 . 1 . . . . 31 ALA C . 7014 1 379 . 1 1 31 31 ALA CA C 13 55.481 0.400 . 1 . . . . 31 ALA CA . 7014 1 380 . 1 1 31 31 ALA CB C 13 18.360 0.400 . 1 . . . . 31 ALA CB . 7014 1 381 . 1 1 31 31 ALA N N 15 124.377 0.400 . 1 . . . . 31 ALA N . 7014 1 382 . 1 1 32 32 ARG H H 1 7.830 0.020 . 1 . . . . 32 ARG H . 7014 1 383 . 1 1 32 32 ARG HA H 1 3.747 0.020 . 1 . . . . 32 ARG HA . 7014 1 384 . 1 1 32 32 ARG HB2 H 1 1.922 0.020 . 2 . . . . 32 ARG HB2 . 7014 1 385 . 1 1 32 32 ARG HB3 H 1 1.798 0.020 . 2 . . . . 32 ARG HB3 . 7014 1 386 . 1 1 32 32 ARG HG2 H 1 1.461 0.020 . 1 . . . . 32 ARG HG2 . 7014 1 387 . 1 1 32 32 ARG HG3 H 1 1.461 0.020 . 1 . . . . 32 ARG HG3 . 7014 1 388 . 1 1 32 32 ARG HD2 H 1 3.184 0.020 . 2 . . . . 32 ARG HD2 . 7014 1 389 . 1 1 32 32 ARG HD3 H 1 3.111 0.020 . 2 . . . . 32 ARG HD3 . 7014 1 390 . 1 1 32 32 ARG C C 13 179.332 0.400 . 1 . . . . 32 ARG C . 7014 1 391 . 1 1 32 32 ARG CA C 13 60.315 0.400 . 1 . . . . 32 ARG CA . 7014 1 392 . 1 1 32 32 ARG CB C 13 29.942 0.400 . 1 . . . . 32 ARG CB . 7014 1 393 . 1 1 32 32 ARG CG C 13 29.331 0.400 . 1 . . . . 32 ARG CG . 7014 1 394 . 1 1 32 32 ARG CD C 13 43.412 0.400 . 1 . . . . 32 ARG CD . 7014 1 395 . 1 1 32 32 ARG N N 15 114.943 0.400 . 1 . . . . 32 ARG N . 7014 1 396 . 1 1 33 33 GLU H H 1 7.600 0.020 . 1 . . . . 33 GLU H . 7014 1 397 . 1 1 33 33 GLU HA H 1 4.046 0.020 . 1 . . . . 33 GLU HA . 7014 1 398 . 1 1 33 33 GLU HB2 H 1 2.113 0.020 . 2 . . . . 33 GLU HB2 . 7014 1 399 . 1 1 33 33 GLU HB3 H 1 2.055 0.020 . 2 . . . . 33 GLU HB3 . 7014 1 400 . 1 1 33 33 GLU HG2 H 1 2.337 0.020 . 2 . . . . 33 GLU HG2 . 7014 1 401 . 1 1 33 33 GLU HG3 H 1 2.189 0.020 . 2 . . . . 33 GLU HG3 . 7014 1 402 . 1 1 33 33 GLU C C 13 178.722 0.400 . 1 . . . . 33 GLU C . 7014 1 403 . 1 1 33 33 GLU CA C 13 58.983 0.400 . 1 . . . . 33 GLU CA . 7014 1 404 . 1 1 33 33 GLU CB C 13 29.181 0.400 . 1 . . . . 33 GLU CB . 7014 1 405 . 1 1 33 33 GLU CG C 13 35.244 0.400 . 1 . . . . 33 GLU CG . 7014 1 406 . 1 1 33 33 GLU N N 15 120.500 0.400 . 1 . . . . 33 GLU N . 7014 1 407 . 1 1 34 34 HIS H H 1 8.354 0.020 . 1 . . . . 34 HIS H . 7014 1 408 . 1 1 34 34 HIS HA H 1 4.297 0.020 . 1 . . . . 34 HIS HA . 7014 1 409 . 1 1 34 34 HIS HB2 H 1 3.029 0.020 . 1 . . . . 34 HIS HB2 . 7014 1 410 . 1 1 34 34 HIS HB3 H 1 3.029 0.020 . 1 . . . . 34 HIS HB3 . 7014 1 411 . 1 1 34 34 HIS HD2 H 1 7.627 0.020 . 1 . . . . 34 HIS HD2 . 7014 1 412 . 1 1 34 34 HIS C C 13 178.593 0.400 . 1 . . . . 34 HIS C . 7014 1 413 . 1 1 34 34 HIS CA C 13 59.738 0.400 . 1 . . . . 34 HIS CA . 7014 1 414 . 1 1 34 34 HIS CB C 13 29.508 0.400 . 1 . . . . 34 HIS CB . 7014 1 415 . 1 1 34 34 HIS CD2 C 13 122.210 0.400 . 1 . . . . 34 HIS CD2 . 7014 1 416 . 1 1 34 34 HIS N N 15 117.975 0.400 . 1 . . . . 34 HIS N . 7014 1 417 . 1 1 35 35 LEU H H 1 8.753 0.020 . 1 . . . . 35 LEU H . 7014 1 418 . 1 1 35 35 LEU HA H 1 4.040 0.020 . 1 . . . . 35 LEU HA . 7014 1 419 . 1 1 35 35 LEU HB2 H 1 1.933 0.020 . 2 . . . . 35 LEU HB2 . 7014 1 420 . 1 1 35 35 LEU HB3 H 1 1.302 0.020 . 2 . . . . 35 LEU HB3 . 7014 1 421 . 1 1 35 35 LEU HG H 1 1.727 0.020 . 1 . . . . 35 LEU HG . 7014 1 422 . 1 1 35 35 LEU HD11 H 1 0.887 0.020 . 2 . . . . 35 LEU HD1 . 7014 1 423 . 1 1 35 35 LEU HD12 H 1 0.887 0.020 . 2 . . . . 35 LEU HD1 . 7014 1 424 . 1 1 35 35 LEU HD13 H 1 0.887 0.020 . 2 . . . . 35 LEU HD1 . 7014 1 425 . 1 1 35 35 LEU HD21 H 1 0.725 0.020 . 2 . . . . 35 LEU HD2 . 7014 1 426 . 1 1 35 35 LEU HD22 H 1 0.725 0.020 . 2 . . . . 35 LEU HD2 . 7014 1 427 . 1 1 35 35 LEU HD23 H 1 0.725 0.020 . 2 . . . . 35 LEU HD2 . 7014 1 428 . 1 1 35 35 LEU C C 13 179.924 0.400 . 1 . . . . 35 LEU C . 7014 1 429 . 1 1 35 35 LEU CA C 13 58.161 0.400 . 1 . . . . 35 LEU CA . 7014 1 430 . 1 1 35 35 LEU CB C 13 41.920 0.400 . 1 . . . . 35 LEU CB . 7014 1 431 . 1 1 35 35 LEU CG C 13 26.821 0.400 . 1 . . . . 35 LEU CG . 7014 1 432 . 1 1 35 35 LEU CD1 C 13 24.863 0.400 . 1 . . . . 35 LEU CD1 . 7014 1 433 . 1 1 35 35 LEU CD2 C 13 26.558 0.400 . 1 . . . . 35 LEU CD2 . 7014 1 434 . 1 1 35 35 LEU N N 15 121.742 0.400 . 1 . . . . 35 LEU N . 7014 1 435 . 1 1 36 36 LYS H H 1 7.670 0.020 . 1 . . . . 36 LYS H . 7014 1 436 . 1 1 36 36 LYS HA H 1 4.042 0.020 . 1 . . . . 36 LYS HA . 7014 1 437 . 1 1 36 36 LYS HB2 H 1 1.940 0.020 . 2 . . . . 36 LYS HB2 . 7014 1 438 . 1 1 36 36 LYS HB3 H 1 1.915 0.020 . 2 . . . . 36 LYS HB3 . 7014 1 439 . 1 1 36 36 LYS HG2 H 1 1.546 0.020 . 2 . . . . 36 LYS HG2 . 7014 1 440 . 1 1 36 36 LYS HG3 H 1 1.400 0.020 . 2 . . . . 36 LYS HG3 . 7014 1 441 . 1 1 36 36 LYS HD2 H 1 1.688 0.020 . 2 . . . . 36 LYS HD2 . 7014 1 442 . 1 1 36 36 LYS HD3 H 1 1.664 0.020 . 2 . . . . 36 LYS HD3 . 7014 1 443 . 1 1 36 36 LYS HE2 H 1 2.921 0.020 . 1 . . . . 36 LYS HE2 . 7014 1 444 . 1 1 36 36 LYS HE3 H 1 2.921 0.020 . 1 . . . . 36 LYS HE3 . 7014 1 445 . 1 1 36 36 LYS C C 13 177.964 0.400 . 1 . . . . 36 LYS C . 7014 1 446 . 1 1 36 36 LYS CA C 13 58.946 0.400 . 1 . . . . 36 LYS CA . 7014 1 447 . 1 1 36 36 LYS CB C 13 32.099 0.400 . 1 . . . . 36 LYS CB . 7014 1 448 . 1 1 36 36 LYS CG C 13 24.442 0.400 . 1 . . . . 36 LYS CG . 7014 1 449 . 1 1 36 36 LYS CD C 13 29.374 0.400 . 1 . . . . 36 LYS CD . 7014 1 450 . 1 1 36 36 LYS CE C 13 41.859 0.400 . 1 . . . . 36 LYS CE . 7014 1 451 . 1 1 36 36 LYS N N 15 119.816 0.400 . 1 . . . . 36 LYS N . 7014 1 452 . 1 1 37 37 ASN H H 1 7.753 0.020 . 1 . . . . 37 ASN H . 7014 1 453 . 1 1 37 37 ASN HA H 1 4.791 0.020 . 1 . . . . 37 ASN HA . 7014 1 454 . 1 1 37 37 ASN HB2 H 1 2.925 0.020 . 2 . . . . 37 ASN HB2 . 7014 1 455 . 1 1 37 37 ASN HB3 H 1 2.831 0.020 . 2 . . . . 37 ASN HB3 . 7014 1 456 . 1 1 37 37 ASN HD21 H 1 7.420 0.020 . 2 . . . . 37 ASN HD21 . 7014 1 457 . 1 1 37 37 ASN HD22 H 1 6.950 0.020 . 2 . . . . 37 ASN HD22 . 7014 1 458 . 1 1 37 37 ASN C C 13 175.745 0.400 . 1 . . . . 37 ASN C . 7014 1 459 . 1 1 37 37 ASN CA C 13 52.792 0.400 . 1 . . . . 37 ASN CA . 7014 1 460 . 1 1 37 37 ASN CB C 13 39.305 0.400 . 1 . . . . 37 ASN CB . 7014 1 461 . 1 1 37 37 ASN N N 15 114.595 0.400 . 1 . . . . 37 ASN N . 7014 1 462 . 1 1 37 37 ASN ND2 N 15 112.530 0.400 . 1 . . . . 37 ASN ND2 . 7014 1 463 . 1 1 38 38 GLY H H 1 7.842 0.020 . 1 . . . . 38 GLY H . 7014 1 464 . 1 1 38 38 GLY HA2 H 1 4.244 0.020 . 1 . . . . 38 GLY HA2 . 7014 1 465 . 1 1 38 38 GLY HA3 H 1 4.244 0.020 . 1 . . . . 38 GLY HA3 . 7014 1 466 . 1 1 38 38 GLY C C 13 176.078 0.400 . 1 . . . . 38 GLY C . 7014 1 467 . 1 1 38 38 GLY CA C 13 47.055 0.400 . 1 . . . . 38 GLY CA . 7014 1 468 . 1 1 38 38 GLY N N 15 109.075 0.400 . 1 . . . . 38 GLY N . 7014 1 469 . 1 1 39 39 THR H H 1 8.851 0.020 . 1 . . . . 39 THR H . 7014 1 470 . 1 1 39 39 THR HA H 1 4.890 0.020 . 1 . . . . 39 THR HA . 7014 1 471 . 1 1 39 39 THR HB H 1 5.131 0.020 . 1 . . . . 39 THR HB . 7014 1 472 . 1 1 39 39 THR HG21 H 1 1.137 0.020 . 1 . . . . 39 THR HG2 . 7014 1 473 . 1 1 39 39 THR HG22 H 1 1.137 0.020 . 1 . . . . 39 THR HG2 . 7014 1 474 . 1 1 39 39 THR HG23 H 1 1.137 0.020 . 1 . . . . 39 THR HG2 . 7014 1 475 . 1 1 39 39 THR C C 13 173.970 0.400 . 1 . . . . 39 THR C . 7014 1 476 . 1 1 39 39 THR CA C 13 60.173 0.400 . 1 . . . . 39 THR CA . 7014 1 477 . 1 1 39 39 THR CB C 13 67.131 0.400 . 1 . . . . 39 THR CB . 7014 1 478 . 1 1 39 39 THR CG2 C 13 21.194 0.400 . 1 . . . . 39 THR CG2 . 7014 1 479 . 1 1 39 39 THR N N 15 110.240 0.400 . 1 . . . . 39 THR N . 7014 1 480 . 1 1 40 40 CYS H H 1 8.460 0.020 . 1 . . . . 40 CYS H . 7014 1 481 . 1 1 40 40 CYS HA H 1 5.292 0.020 . 1 . . . . 40 CYS HA . 7014 1 482 . 1 1 40 40 CYS HB2 H 1 2.977 0.020 . 2 . . . . 40 CYS HB2 . 7014 1 483 . 1 1 40 40 CYS HB3 H 1 2.441 0.020 . 2 . . . . 40 CYS HB3 . 7014 1 484 . 1 1 40 40 CYS C C 13 173.027 0.400 . 1 . . . . 40 CYS C . 7014 1 485 . 1 1 40 40 CYS CA C 13 57.560 0.400 . 1 . . . . 40 CYS CA . 7014 1 486 . 1 1 40 40 CYS CB C 13 30.530 0.400 . 1 . . . . 40 CYS CB . 7014 1 487 . 1 1 40 40 CYS N N 15 122.095 0.400 . 1 . . . . 40 CYS N . 7014 1 488 . 1 1 41 41 GLY H H 1 9.866 0.020 . 1 . . . . 41 GLY H . 7014 1 489 . 1 1 41 41 GLY HA2 H 1 4.750 0.020 . 2 . . . . 41 GLY HA2 . 7014 1 490 . 1 1 41 41 GLY HA3 H 1 3.147 0.020 . 2 . . . . 41 GLY HA3 . 7014 1 491 . 1 1 41 41 GLY C C 13 169.939 0.400 . 1 . . . . 41 GLY C . 7014 1 492 . 1 1 41 41 GLY CA C 13 43.504 0.400 . 1 . . . . 41 GLY CA . 7014 1 493 . 1 1 41 41 GLY N N 15 114.105 0.400 . 1 . . . . 41 GLY N . 7014 1 494 . 1 1 42 42 LEU H H 1 8.728 0.020 . 1 . . . . 42 LEU H . 7014 1 495 . 1 1 42 42 LEU HA H 1 5.050 0.020 . 1 . . . . 42 LEU HA . 7014 1 496 . 1 1 42 42 LEU HB2 H 1 1.550 0.020 . 2 . . . . 42 LEU HB2 . 7014 1 497 . 1 1 42 42 LEU HB3 H 1 1.031 0.020 . 2 . . . . 42 LEU HB3 . 7014 1 498 . 1 1 42 42 LEU HG H 1 1.265 0.020 . 1 . . . . 42 LEU HG . 7014 1 499 . 1 1 42 42 LEU HD11 H 1 0.668 0.020 . 2 . . . . 42 LEU HD1 . 7014 1 500 . 1 1 42 42 LEU HD12 H 1 0.668 0.020 . 2 . . . . 42 LEU HD1 . 7014 1 501 . 1 1 42 42 LEU HD13 H 1 0.668 0.020 . 2 . . . . 42 LEU HD1 . 7014 1 502 . 1 1 42 42 LEU HD21 H 1 0.615 0.020 . 2 . . . . 42 LEU HD2 . 7014 1 503 . 1 1 42 42 LEU HD22 H 1 0.615 0.020 . 2 . . . . 42 LEU HD2 . 7014 1 504 . 1 1 42 42 LEU HD23 H 1 0.615 0.020 . 2 . . . . 42 LEU HD2 . 7014 1 505 . 1 1 42 42 LEU C C 13 174.007 0.400 . 1 . . . . 42 LEU C . 7014 1 506 . 1 1 42 42 LEU CA C 13 53.155 0.400 . 1 . . . . 42 LEU CA . 7014 1 507 . 1 1 42 42 LEU CB C 13 47.011 0.400 . 1 . . . . 42 LEU CB . 7014 1 508 . 1 1 42 42 LEU CG C 13 27.360 0.400 . 1 . . . . 42 LEU CG . 7014 1 509 . 1 1 42 42 LEU CD1 C 13 26.145 0.400 . 1 . . . . 42 LEU CD1 . 7014 1 510 . 1 1 42 42 LEU CD2 C 13 24.717 0.400 . 1 . . . . 42 LEU CD2 . 7014 1 511 . 1 1 42 42 LEU N N 15 120.341 0.400 . 1 . . . . 42 LEU N . 7014 1 512 . 1 1 43 43 VAL H H 1 9.416 0.020 . 1 . . . . 43 VAL H . 7014 1 513 . 1 1 43 43 VAL HA H 1 4.483 0.020 . 1 . . . . 43 VAL HA . 7014 1 514 . 1 1 43 43 VAL HB H 1 1.872 0.020 . 1 . . . . 43 VAL HB . 7014 1 515 . 1 1 43 43 VAL HG11 H 1 0.915 0.020 . 2 . . . . 43 VAL HG1 . 7014 1 516 . 1 1 43 43 VAL HG12 H 1 0.915 0.020 . 2 . . . . 43 VAL HG1 . 7014 1 517 . 1 1 43 43 VAL HG13 H 1 0.915 0.020 . 2 . . . . 43 VAL HG1 . 7014 1 518 . 1 1 43 43 VAL HG21 H 1 0.726 0.020 . 2 . . . . 43 VAL HG2 . 7014 1 519 . 1 1 43 43 VAL HG22 H 1 0.726 0.020 . 2 . . . . 43 VAL HG2 . 7014 1 520 . 1 1 43 43 VAL HG23 H 1 0.726 0.020 . 2 . . . . 43 VAL HG2 . 7014 1 521 . 1 1 43 43 VAL C C 13 176.355 0.400 . 1 . . . . 43 VAL C . 7014 1 522 . 1 1 43 43 VAL CA C 13 60.332 0.400 . 1 . . . . 43 VAL CA . 7014 1 523 . 1 1 43 43 VAL CB C 13 33.011 0.400 . 1 . . . . 43 VAL CB . 7014 1 524 . 1 1 43 43 VAL CG1 C 13 22.198 0.400 . 1 . . . . 43 VAL CG1 . 7014 1 525 . 1 1 43 43 VAL CG2 C 13 21.735 0.400 . 1 . . . . 43 VAL CG2 . 7014 1 526 . 1 1 43 43 VAL N N 15 125.987 0.400 . 1 . . . . 43 VAL N . 7014 1 527 . 1 1 44 44 GLU H H 1 8.924 0.020 . 1 . . . . 44 GLU H . 7014 1 528 . 1 1 44 44 GLU HA H 1 4.253 0.020 . 1 . . . . 44 GLU HA . 7014 1 529 . 1 1 44 44 GLU HB2 H 1 2.009 0.020 . 2 . . . . 44 GLU HB2 . 7014 1 530 . 1 1 44 44 GLU HB3 H 1 1.891 0.020 . 2 . . . . 44 GLU HB3 . 7014 1 531 . 1 1 44 44 GLU HG2 H 1 2.335 0.020 . 2 . . . . 44 GLU HG2 . 7014 1 532 . 1 1 44 44 GLU HG3 H 1 2.055 0.020 . 2 . . . . 44 GLU HG3 . 7014 1 533 . 1 1 44 44 GLU C C 13 176.799 0.400 . 1 . . . . 44 GLU C . 7014 1 534 . 1 1 44 44 GLU CA C 13 57.175 0.400 . 1 . . . . 44 GLU CA . 7014 1 535 . 1 1 44 44 GLU CB C 13 29.744 0.400 . 1 . . . . 44 GLU CB . 7014 1 536 . 1 1 44 44 GLU CG C 13 38.324 0.400 . 1 . . . . 44 GLU CG . 7014 1 537 . 1 1 44 44 GLU N N 15 126.294 0.400 . 1 . . . . 44 GLU N . 7014 1 538 . 1 1 45 45 LEU H H 1 8.392 0.020 . 1 . . . . 45 LEU H . 7014 1 539 . 1 1 45 45 LEU HA H 1 4.056 0.020 . 1 . . . . 45 LEU HA . 7014 1 540 . 1 1 45 45 LEU HB2 H 1 1.552 0.020 . 2 . . . . 45 LEU HB2 . 7014 1 541 . 1 1 45 45 LEU HB3 H 1 1.460 0.020 . 2 . . . . 45 LEU HB3 . 7014 1 542 . 1 1 45 45 LEU HG H 1 1.523 0.020 . 1 . . . . 45 LEU HG . 7014 1 543 . 1 1 45 45 LEU HD11 H 1 0.838 0.020 . 2 . . . . 45 LEU HD1 . 7014 1 544 . 1 1 45 45 LEU HD12 H 1 0.838 0.020 . 2 . . . . 45 LEU HD1 . 7014 1 545 . 1 1 45 45 LEU HD13 H 1 0.838 0.020 . 2 . . . . 45 LEU HD1 . 7014 1 546 . 1 1 45 45 LEU HD21 H 1 0.785 0.020 . 2 . . . . 45 LEU HD2 . 7014 1 547 . 1 1 45 45 LEU HD22 H 1 0.785 0.020 . 2 . . . . 45 LEU HD2 . 7014 1 548 . 1 1 45 45 LEU HD23 H 1 0.785 0.020 . 2 . . . . 45 LEU HD2 . 7014 1 549 . 1 1 45 45 LEU C C 13 175.763 0.400 . 1 . . . . 45 LEU C . 7014 1 550 . 1 1 45 45 LEU CA C 13 55.782 0.400 . 1 . . . . 45 LEU CA . 7014 1 551 . 1 1 45 45 LEU CB C 13 41.425 0.400 . 1 . . . . 45 LEU CB . 7014 1 552 . 1 1 45 45 LEU CG C 13 27.280 0.400 . 1 . . . . 45 LEU CG . 7014 1 553 . 1 1 45 45 LEU CD1 C 13 24.942 0.400 . 1 . . . . 45 LEU CD1 . 7014 1 554 . 1 1 45 45 LEU CD2 C 13 23.813 0.400 . 1 . . . . 45 LEU CD2 . 7014 1 555 . 1 1 45 45 LEU N N 15 121.934 0.400 . 1 . . . . 45 LEU N . 7014 1 556 . 1 1 46 46 GLU H H 1 6.997 0.020 . 1 . . . . 46 GLU H . 7014 1 557 . 1 1 46 46 GLU HA H 1 4.477 0.020 . 1 . . . . 46 GLU HA . 7014 1 558 . 1 1 46 46 GLU HB2 H 1 2.152 0.020 . 2 . . . . 46 GLU HB2 . 7014 1 559 . 1 1 46 46 GLU HB3 H 1 1.886 0.020 . 2 . . . . 46 GLU HB3 . 7014 1 560 . 1 1 46 46 GLU HG2 H 1 2.217 0.020 . 2 . . . . 46 GLU HG2 . 7014 1 561 . 1 1 46 46 GLU HG3 H 1 2.141 0.020 . 2 . . . . 46 GLU HG3 . 7014 1 562 . 1 1 46 46 GLU C C 13 175.542 0.400 . 1 . . . . 46 GLU C . 7014 1 563 . 1 1 46 46 GLU CA C 13 54.429 0.400 . 1 . . . . 46 GLU CA . 7014 1 564 . 1 1 46 46 GLU CB C 13 32.813 0.400 . 1 . . . . 46 GLU CB . 7014 1 565 . 1 1 46 46 GLU CG C 13 36.203 0.400 . 1 . . . . 46 GLU CG . 7014 1 566 . 1 1 46 46 GLU N N 15 120.966 0.400 . 1 . . . . 46 GLU N . 7014 1 567 . 1 1 47 47 LYS H H 1 8.920 0.020 . 1 . . . . 47 LYS H . 7014 1 568 . 1 1 47 47 LYS HA H 1 4.091 0.020 . 1 . . . . 47 LYS HA . 7014 1 569 . 1 1 47 47 LYS HB2 H 1 1.835 0.020 . 2 . . . . 47 LYS HB2 . 7014 1 570 . 1 1 47 47 LYS HB3 H 1 1.784 0.020 . 2 . . . . 47 LYS HB3 . 7014 1 571 . 1 1 47 47 LYS HG2 H 1 1.513 0.020 . 2 . . . . 47 LYS HG2 . 7014 1 572 . 1 1 47 47 LYS HG3 H 1 1.402 0.020 . 2 . . . . 47 LYS HG3 . 7014 1 573 . 1 1 47 47 LYS HD2 H 1 1.704 0.020 . 1 . . . . 47 LYS HD2 . 7014 1 574 . 1 1 47 47 LYS HD3 H 1 1.704 0.020 . 1 . . . . 47 LYS HD3 . 7014 1 575 . 1 1 47 47 LYS HE2 H 1 3.004 0.020 . 1 . . . . 47 LYS HE2 . 7014 1 576 . 1 1 47 47 LYS HE3 H 1 3.004 0.020 . 1 . . . . 47 LYS HE3 . 7014 1 577 . 1 1 47 47 LYS CA C 13 58.728 0.400 . 1 . . . . 47 LYS CA . 7014 1 578 . 1 1 47 47 LYS CB C 13 31.944 0.400 . 1 . . . . 47 LYS CB . 7014 1 579 . 1 1 47 47 LYS CG C 13 24.583 0.400 . 1 . . . . 47 LYS CG . 7014 1 580 . 1 1 47 47 LYS CD C 13 29.290 0.400 . 1 . . . . 47 LYS CD . 7014 1 581 . 1 1 47 47 LYS CE C 13 42.046 0.400 . 1 . . . . 47 LYS CE . 7014 1 582 . 1 1 47 47 LYS N N 15 123.640 0.400 . 1 . . . . 47 LYS N . 7014 1 583 . 1 1 48 48 GLY HA2 H 1 4.252 0.020 . 2 . . . . 48 GLY HA2 . 7014 1 584 . 1 1 48 48 GLY HA3 H 1 3.701 0.020 . 2 . . . . 48 GLY HA3 . 7014 1 585 . 1 1 48 48 GLY C C 13 175.782 0.400 . 1 . . . . 48 GLY C . 7014 1 586 . 1 1 48 48 GLY CA C 13 45.385 0.400 . 1 . . . . 48 GLY CA . 7014 1 587 . 1 1 49 49 VAL H H 1 7.834 0.020 . 1 . . . . 49 VAL H . 7014 1 588 . 1 1 49 49 VAL HA H 1 3.808 0.020 . 1 . . . . 49 VAL HA . 7014 1 589 . 1 1 49 49 VAL HB H 1 2.110 0.020 . 1 . . . . 49 VAL HB . 7014 1 590 . 1 1 49 49 VAL HG11 H 1 1.088 0.020 . 2 . . . . 49 VAL HG1 . 7014 1 591 . 1 1 49 49 VAL HG12 H 1 1.088 0.020 . 2 . . . . 49 VAL HG1 . 7014 1 592 . 1 1 49 49 VAL HG13 H 1 1.088 0.020 . 2 . . . . 49 VAL HG1 . 7014 1 593 . 1 1 49 49 VAL HG21 H 1 0.880 0.020 . 2 . . . . 49 VAL HG2 . 7014 1 594 . 1 1 49 49 VAL HG22 H 1 0.880 0.020 . 2 . . . . 49 VAL HG2 . 7014 1 595 . 1 1 49 49 VAL HG23 H 1 0.880 0.020 . 2 . . . . 49 VAL HG2 . 7014 1 596 . 1 1 49 49 VAL C C 13 176.374 0.400 . 1 . . . . 49 VAL C . 7014 1 597 . 1 1 49 49 VAL CA C 13 66.488 0.400 . 1 . . . . 49 VAL CA . 7014 1 598 . 1 1 49 49 VAL CB C 13 32.655 0.400 . 1 . . . . 49 VAL CB . 7014 1 599 . 1 1 49 49 VAL CG1 C 13 23.603 0.400 . 1 . . . . 49 VAL CG1 . 7014 1 600 . 1 1 49 49 VAL CG2 C 13 21.301 0.400 . 1 . . . . 49 VAL CG2 . 7014 1 601 . 1 1 49 49 VAL N N 15 122.002 0.400 . 1 . . . . 49 VAL N . 7014 1 602 . 1 1 50 50 LEU H H 1 8.617 0.020 . 1 . . . . 50 LEU H . 7014 1 603 . 1 1 50 50 LEU HA H 1 3.928 0.020 . 1 . . . . 50 LEU HA . 7014 1 604 . 1 1 50 50 LEU HB2 H 1 1.790 0.020 . 2 . . . . 50 LEU HB2 . 7014 1 605 . 1 1 50 50 LEU HB3 H 1 1.307 0.020 . 2 . . . . 50 LEU HB3 . 7014 1 606 . 1 1 50 50 LEU HG H 1 1.567 0.020 . 1 . . . . 50 LEU HG . 7014 1 607 . 1 1 50 50 LEU HD11 H 1 0.684 0.020 . 2 . . . . 50 LEU HD1 . 7014 1 608 . 1 1 50 50 LEU HD12 H 1 0.684 0.020 . 2 . . . . 50 LEU HD1 . 7014 1 609 . 1 1 50 50 LEU HD13 H 1 0.684 0.020 . 2 . . . . 50 LEU HD1 . 7014 1 610 . 1 1 50 50 LEU HD21 H 1 0.235 0.020 . 2 . . . . 50 LEU HD2 . 7014 1 611 . 1 1 50 50 LEU HD22 H 1 0.235 0.020 . 2 . . . . 50 LEU HD2 . 7014 1 612 . 1 1 50 50 LEU HD23 H 1 0.235 0.020 . 2 . . . . 50 LEU HD2 . 7014 1 613 . 1 1 50 50 LEU CA C 13 59.617 0.400 . 1 . . . . 50 LEU CA . 7014 1 614 . 1 1 50 50 LEU CB C 13 37.744 0.400 . 1 . . . . 50 LEU CB . 7014 1 615 . 1 1 50 50 LEU CG C 13 26.229 0.400 . 1 . . . . 50 LEU CG . 7014 1 616 . 1 1 50 50 LEU CD1 C 13 25.268 0.400 . 1 . . . . 50 LEU CD1 . 7014 1 617 . 1 1 50 50 LEU CD2 C 13 22.543 0.400 . 1 . . . . 50 LEU CD2 . 7014 1 618 . 1 1 50 50 LEU N N 15 119.036 0.400 . 1 . . . . 50 LEU N . 7014 1 619 . 1 1 51 51 PRO HA H 1 4.587 0.020 . 1 . . . . 51 PRO HA . 7014 1 620 . 1 1 51 51 PRO HB2 H 1 2.440 0.020 . 2 . . . . 51 PRO HB2 . 7014 1 621 . 1 1 51 51 PRO HB3 H 1 1.744 0.020 . 2 . . . . 51 PRO HB3 . 7014 1 622 . 1 1 51 51 PRO HG2 H 1 2.005 0.020 . 2 . . . . 51 PRO HG2 . 7014 1 623 . 1 1 51 51 PRO HG3 H 1 1.952 0.020 . 2 . . . . 51 PRO HG3 . 7014 1 624 . 1 1 51 51 PRO HD2 H 1 3.719 0.020 . 2 . . . . 51 PRO HD2 . 7014 1 625 . 1 1 51 51 PRO HD3 H 1 3.320 0.020 . 2 . . . . 51 PRO HD3 . 7014 1 626 . 1 1 51 51 PRO C C 13 177.113 0.400 . 1 . . . . 51 PRO C . 7014 1 627 . 1 1 51 51 PRO CA C 13 64.885 0.400 . 1 . . . . 51 PRO CA . 7014 1 628 . 1 1 51 51 PRO CB C 13 31.467 0.400 . 1 . . . . 51 PRO CB . 7014 1 629 . 1 1 51 51 PRO CG C 13 27.989 0.400 . 1 . . . . 51 PRO CG . 7014 1 630 . 1 1 51 51 PRO CD C 13 50.300 0.400 . 1 . . . . 51 PRO CD . 7014 1 631 . 1 1 52 52 GLN H H 1 7.551 0.020 . 1 . . . . 52 GLN H . 7014 1 632 . 1 1 52 52 GLN HA H 1 4.369 0.020 . 1 . . . . 52 GLN HA . 7014 1 633 . 1 1 52 52 GLN HB2 H 1 2.228 0.020 . 2 . . . . 52 GLN HB2 . 7014 1 634 . 1 1 52 52 GLN HB3 H 1 2.124 0.020 . 2 . . . . 52 GLN HB3 . 7014 1 635 . 1 1 52 52 GLN HG2 H 1 2.239 0.020 . 2 . . . . 52 GLN HG2 . 7014 1 636 . 1 1 52 52 GLN HG3 H 1 2.416 0.020 . 2 . . . . 52 GLN HG3 . 7014 1 637 . 1 1 52 52 GLN HE21 H 1 7.280 0.020 . 2 . . . . 52 GLN HE21 . 7014 1 638 . 1 1 52 52 GLN HE22 H 1 6.701 0.020 . 2 . . . . 52 GLN HE22 . 7014 1 639 . 1 1 52 52 GLN C C 13 175.468 0.400 . 1 . . . . 52 GLN C . 7014 1 640 . 1 1 52 52 GLN CA C 13 55.889 0.400 . 1 . . . . 52 GLN CA . 7014 1 641 . 1 1 52 52 GLN CB C 13 30.227 0.400 . 1 . . . . 52 GLN CB . 7014 1 642 . 1 1 52 52 GLN CG C 13 34.981 0.400 . 1 . . . . 52 GLN CG . 7014 1 643 . 1 1 52 52 GLN N N 15 112.992 0.400 . 1 . . . . 52 GLN N . 7014 1 644 . 1 1 52 52 GLN NE2 N 15 112.419 0.400 . 1 . . . . 52 GLN NE2 . 7014 1 645 . 1 1 53 53 LEU H H 1 7.890 0.020 . 1 . . . . 53 LEU H . 7014 1 646 . 1 1 53 53 LEU HA H 1 4.749 0.020 . 1 . . . . 53 LEU HA . 7014 1 647 . 1 1 53 53 LEU HB2 H 1 2.069 0.020 . 2 . . . . 53 LEU HB2 . 7014 1 648 . 1 1 53 53 LEU HB3 H 1 1.966 0.020 . 2 . . . . 53 LEU HB3 . 7014 1 649 . 1 1 53 53 LEU HG H 1 1.642 0.020 . 1 . . . . 53 LEU HG . 7014 1 650 . 1 1 53 53 LEU HD11 H 1 0.822 0.020 . 2 . . . . 53 LEU HD1 . 7014 1 651 . 1 1 53 53 LEU HD12 H 1 0.822 0.020 . 2 . . . . 53 LEU HD1 . 7014 1 652 . 1 1 53 53 LEU HD13 H 1 0.822 0.020 . 2 . . . . 53 LEU HD1 . 7014 1 653 . 1 1 53 53 LEU HD21 H 1 0.722 0.020 . 2 . . . . 53 LEU HD2 . 7014 1 654 . 1 1 53 53 LEU HD22 H 1 0.722 0.020 . 2 . . . . 53 LEU HD2 . 7014 1 655 . 1 1 53 53 LEU HD23 H 1 0.722 0.020 . 2 . . . . 53 LEU HD2 . 7014 1 656 . 1 1 53 53 LEU C C 13 174.950 0.400 . 1 . . . . 53 LEU C . 7014 1 657 . 1 1 53 53 LEU CA C 13 53.230 0.400 . 1 . . . . 53 LEU CA . 7014 1 658 . 1 1 53 53 LEU CB C 13 43.539 0.400 . 1 . . . . 53 LEU CB . 7014 1 659 . 1 1 53 53 LEU CG C 13 26.550 0.400 . 1 . . . . 53 LEU CG . 7014 1 660 . 1 1 53 53 LEU CD1 C 13 22.800 0.400 . 1 . . . . 53 LEU CD1 . 7014 1 661 . 1 1 53 53 LEU CD2 C 13 26.626 0.400 . 1 . . . . 53 LEU CD2 . 7014 1 662 . 1 1 53 53 LEU N N 15 121.603 0.400 . 1 . . . . 53 LEU N . 7014 1 663 . 1 1 54 54 GLU H H 1 7.238 0.020 . 1 . . . . 54 GLU H . 7014 1 664 . 1 1 54 54 GLU HA H 1 4.357 0.020 . 1 . . . . 54 GLU HA . 7014 1 665 . 1 1 54 54 GLU HB2 H 1 1.831 0.020 . 2 . . . . 54 GLU HB2 . 7014 1 666 . 1 1 54 54 GLU HB3 H 1 1.442 0.020 . 2 . . . . 54 GLU HB3 . 7014 1 667 . 1 1 54 54 GLU HG2 H 1 2.144 0.020 . 2 . . . . 54 GLU HG2 . 7014 1 668 . 1 1 54 54 GLU HG3 H 1 2.093 0.020 . 2 . . . . 54 GLU HG3 . 7014 1 669 . 1 1 54 54 GLU C C 13 174.654 0.400 . 1 . . . . 54 GLU C . 7014 1 670 . 1 1 54 54 GLU CA C 13 55.283 0.400 . 1 . . . . 54 GLU CA . 7014 1 671 . 1 1 54 54 GLU CB C 13 31.031 0.400 . 1 . . . . 54 GLU CB . 7014 1 672 . 1 1 54 54 GLU CG C 13 36.103 0.400 . 1 . . . . 54 GLU CG . 7014 1 673 . 1 1 54 54 GLU N N 15 118.083 0.400 . 1 . . . . 54 GLU N . 7014 1 674 . 1 1 55 55 GLN H H 1 8.130 0.020 . 1 . . . . 55 GLN H . 7014 1 675 . 1 1 55 55 GLN HA H 1 3.293 0.020 . 1 . . . . 55 GLN HA . 7014 1 676 . 1 1 55 55 GLN HB2 H 1 1.873 0.020 . 2 . . . . 55 GLN HB2 . 7014 1 677 . 1 1 55 55 GLN HB3 H 1 1.687 0.020 . 2 . . . . 55 GLN HB3 . 7014 1 678 . 1 1 55 55 GLN HG2 H 1 2.127 0.020 . 2 . . . . 55 GLN HG2 . 7014 1 679 . 1 1 55 55 GLN HG3 H 1 1.989 0.020 . 2 . . . . 55 GLN HG3 . 7014 1 680 . 1 1 55 55 GLN HE21 H 1 7.340 0.020 . 2 . . . . 55 GLN HE21 . 7014 1 681 . 1 1 55 55 GLN HE22 H 1 6.907 0.020 . 2 . . . . 55 GLN HE22 . 7014 1 682 . 1 1 55 55 GLN CA C 13 53.345 0.400 . 1 . . . . 55 GLN CA . 7014 1 683 . 1 1 55 55 GLN CB C 13 28.474 0.400 . 1 . . . . 55 GLN CB . 7014 1 684 . 1 1 55 55 GLN CG C 13 34.190 0.400 . 1 . . . . 55 GLN CG . 7014 1 685 . 1 1 55 55 GLN N N 15 120.353 0.400 . 1 . . . . 55 GLN N . 7014 1 686 . 1 1 55 55 GLN NE2 N 15 110.403 0.400 . 1 . . . . 55 GLN NE2 . 7014 1 687 . 1 1 56 56 PRO HA H 1 4.362 0.020 . 1 . . . . 56 PRO HA . 7014 1 688 . 1 1 56 56 PRO HB2 H 1 2.234 0.020 . 2 . . . . 56 PRO HB2 . 7014 1 689 . 1 1 56 56 PRO HB3 H 1 1.570 0.020 . 2 . . . . 56 PRO HB3 . 7014 1 690 . 1 1 56 56 PRO HG2 H 1 1.410 0.020 . 2 . . . . 56 PRO HG2 . 7014 1 691 . 1 1 56 56 PRO HG3 H 1 1.231 0.020 . 2 . . . . 56 PRO HG3 . 7014 1 692 . 1 1 56 56 PRO HD2 H 1 4.078 0.020 . 2 . . . . 56 PRO HD2 . 7014 1 693 . 1 1 56 56 PRO HD3 H 1 2.981 0.020 . 2 . . . . 56 PRO HD3 . 7014 1 694 . 1 1 56 56 PRO C C 13 173.397 0.400 . 1 . . . . 56 PRO C . 7014 1 695 . 1 1 56 56 PRO CA C 13 61.314 0.400 . 1 . . . . 56 PRO CA . 7014 1 696 . 1 1 56 56 PRO CB C 13 35.718 0.400 . 1 . . . . 56 PRO CB . 7014 1 697 . 1 1 56 56 PRO CG C 13 24.004 0.400 . 1 . . . . 56 PRO CG . 7014 1 698 . 1 1 56 56 PRO CD C 13 49.852 0.400 . 1 . . . . 56 PRO CD . 7014 1 699 . 1 1 57 57 TYR H H 1 7.940 0.020 . 1 . . . . 57 TYR H . 7014 1 700 . 1 1 57 57 TYR HA H 1 4.496 0.020 . 1 . . . . 57 TYR HA . 7014 1 701 . 1 1 57 57 TYR HB2 H 1 2.259 0.020 . 2 . . . . 57 TYR HB2 . 7014 1 702 . 1 1 57 57 TYR HB3 H 1 2.133 0.020 . 2 . . . . 57 TYR HB3 . 7014 1 703 . 1 1 57 57 TYR HD1 H 1 6.931 0.020 . 1 . . . . 57 TYR HD1 . 7014 1 704 . 1 1 57 57 TYR HD2 H 1 6.931 0.020 . 1 . . . . 57 TYR HD2 . 7014 1 705 . 1 1 57 57 TYR HE1 H 1 6.541 0.020 . 1 . . . . 57 TYR HE1 . 7014 1 706 . 1 1 57 57 TYR HE2 H 1 6.541 0.020 . 1 . . . . 57 TYR HE2 . 7014 1 707 . 1 1 57 57 TYR C C 13 175.172 0.400 . 1 . . . . 57 TYR C . 7014 1 708 . 1 1 57 57 TYR CA C 13 55.233 0.400 . 1 . . . . 57 TYR CA . 7014 1 709 . 1 1 57 57 TYR CB C 13 40.831 0.400 . 1 . . . . 57 TYR CB . 7014 1 710 . 1 1 57 57 TYR CD1 C 13 133.130 0.400 . 1 . . . . 57 TYR CD1 . 7014 1 711 . 1 1 57 57 TYR CD2 C 13 133.130 0.400 . 1 . . . . 57 TYR CD2 . 7014 1 712 . 1 1 57 57 TYR CE1 C 13 118.499 0.400 . 1 . . . . 57 TYR CE1 . 7014 1 713 . 1 1 57 57 TYR CE2 C 13 118.499 0.400 . 1 . . . . 57 TYR CE2 . 7014 1 714 . 1 1 57 57 TYR N N 15 118.816 0.400 . 1 . . . . 57 TYR N . 7014 1 715 . 1 1 58 58 VAL H H 1 9.196 0.020 . 1 . . . . 58 VAL H . 7014 1 716 . 1 1 58 58 VAL HA H 1 4.411 0.020 . 1 . . . . 58 VAL HA . 7014 1 717 . 1 1 58 58 VAL HB H 1 2.071 0.020 . 1 . . . . 58 VAL HB . 7014 1 718 . 1 1 58 58 VAL HG11 H 1 0.890 0.020 . 2 . . . . 58 VAL HG1 . 7014 1 719 . 1 1 58 58 VAL HG12 H 1 0.890 0.020 . 2 . . . . 58 VAL HG1 . 7014 1 720 . 1 1 58 58 VAL HG13 H 1 0.890 0.020 . 2 . . . . 58 VAL HG1 . 7014 1 721 . 1 1 58 58 VAL HG21 H 1 0.748 0.020 . 2 . . . . 58 VAL HG2 . 7014 1 722 . 1 1 58 58 VAL HG22 H 1 0.748 0.020 . 2 . . . . 58 VAL HG2 . 7014 1 723 . 1 1 58 58 VAL HG23 H 1 0.748 0.020 . 2 . . . . 58 VAL HG2 . 7014 1 724 . 1 1 58 58 VAL C C 13 174.229 0.400 . 1 . . . . 58 VAL C . 7014 1 725 . 1 1 58 58 VAL CA C 13 62.015 0.400 . 1 . . . . 58 VAL CA . 7014 1 726 . 1 1 58 58 VAL CB C 13 32.017 0.400 . 1 . . . . 58 VAL CB . 7014 1 727 . 1 1 58 58 VAL CG1 C 13 21.548 0.400 . 1 . . . . 58 VAL CG1 . 7014 1 728 . 1 1 58 58 VAL CG2 C 13 22.529 0.400 . 1 . . . . 58 VAL CG2 . 7014 1 729 . 1 1 58 58 VAL N N 15 121.987 0.400 . 1 . . . . 58 VAL N . 7014 1 730 . 1 1 59 59 PHE H H 1 9.250 0.020 . 1 . . . . 59 PHE H . 7014 1 731 . 1 1 59 59 PHE HA H 1 5.406 0.020 . 1 . . . . 59 PHE HA . 7014 1 732 . 1 1 59 59 PHE HB2 H 1 3.000 0.020 . 2 . . . . 59 PHE HB2 . 7014 1 733 . 1 1 59 59 PHE HB3 H 1 2.715 0.020 . 2 . . . . 59 PHE HB3 . 7014 1 734 . 1 1 59 59 PHE HD1 H 1 7.087 0.020 . 1 . . . . 59 PHE HD1 . 7014 1 735 . 1 1 59 59 PHE HD2 H 1 7.087 0.020 . 1 . . . . 59 PHE HD2 . 7014 1 736 . 1 1 59 59 PHE HE1 H 1 7.228 0.020 . 1 . . . . 59 PHE HE1 . 7014 1 737 . 1 1 59 59 PHE HE2 H 1 7.228 0.020 . 1 . . . . 59 PHE HE2 . 7014 1 738 . 1 1 59 59 PHE HZ H 1 6.862 0.020 . 1 . . . . 59 PHE HZ . 7014 1 739 . 1 1 59 59 PHE C C 13 176.096 0.400 . 1 . . . . 59 PHE C . 7014 1 740 . 1 1 59 59 PHE CA C 13 56.116 0.400 . 1 . . . . 59 PHE CA . 7014 1 741 . 1 1 59 59 PHE CB C 13 41.722 0.400 . 1 . . . . 59 PHE CB . 7014 1 742 . 1 1 59 59 PHE CD1 C 13 132.070 0.400 . 1 . . . . 59 PHE CD1 . 7014 1 743 . 1 1 59 59 PHE CD2 C 13 132.070 0.400 . 1 . . . . 59 PHE CD2 . 7014 1 744 . 1 1 59 59 PHE CE1 C 13 131.045 0.400 . 1 . . . . 59 PHE CE1 . 7014 1 745 . 1 1 59 59 PHE CE2 C 13 131.045 0.400 . 1 . . . . 59 PHE CE2 . 7014 1 746 . 1 1 59 59 PHE CZ C 13 128.536 0.400 . 1 . . . . 59 PHE CZ . 7014 1 747 . 1 1 59 59 PHE N N 15 123.346 0.400 . 1 . . . . 59 PHE N . 7014 1 748 . 1 1 60 60 ILE H H 1 7.771 0.020 . 1 . . . . 60 ILE H . 7014 1 749 . 1 1 60 60 ILE HA H 1 5.142 0.020 . 1 . . . . 60 ILE HA . 7014 1 750 . 1 1 60 60 ILE HB H 1 1.479 0.020 . 1 . . . . 60 ILE HB . 7014 1 751 . 1 1 60 60 ILE HG12 H 1 0.879 0.020 . 2 . . . . 60 ILE HG12 . 7014 1 752 . 1 1 60 60 ILE HG13 H 1 1.634 0.020 . 2 . . . . 60 ILE HG13 . 7014 1 753 . 1 1 60 60 ILE HG21 H 1 0.810 0.020 . 1 . . . . 60 ILE HG2 . 7014 1 754 . 1 1 60 60 ILE HG22 H 1 0.810 0.020 . 1 . . . . 60 ILE HG2 . 7014 1 755 . 1 1 60 60 ILE HG23 H 1 0.810 0.020 . 1 . . . . 60 ILE HG2 . 7014 1 756 . 1 1 60 60 ILE HD11 H 1 0.714 0.020 . 1 . . . . 60 ILE HD1 . 7014 1 757 . 1 1 60 60 ILE HD12 H 1 0.714 0.020 . 1 . . . . 60 ILE HD1 . 7014 1 758 . 1 1 60 60 ILE HD13 H 1 0.714 0.020 . 1 . . . . 60 ILE HD1 . 7014 1 759 . 1 1 60 60 ILE C C 13 174.894 0.400 . 1 . . . . 60 ILE C . 7014 1 760 . 1 1 60 60 ILE CA C 13 58.632 0.400 . 1 . . . . 60 ILE CA . 7014 1 761 . 1 1 60 60 ILE CB C 13 40.336 0.400 . 1 . . . . 60 ILE CB . 7014 1 762 . 1 1 60 60 ILE CG1 C 13 26.224 0.400 . 1 . . . . 60 ILE CG1 . 7014 1 763 . 1 1 60 60 ILE CG2 C 13 18.371 0.400 . 1 . . . . 60 ILE CG2 . 7014 1 764 . 1 1 60 60 ILE CD1 C 13 14.247 0.400 . 1 . . . . 60 ILE CD1 . 7014 1 765 . 1 1 60 60 ILE N N 15 112.049 0.400 . 1 . . . . 60 ILE N . 7014 1 766 . 1 1 61 61 LYS H H 1 9.082 0.020 . 1 . . . . 61 LYS H . 7014 1 767 . 1 1 61 61 LYS HA H 1 5.170 0.020 . 1 . . . . 61 LYS HA . 7014 1 768 . 1 1 61 61 LYS HB2 H 1 1.630 0.020 . 2 . . . . 61 LYS HB2 . 7014 1 769 . 1 1 61 61 LYS HB3 H 1 1.513 0.020 . 2 . . . . 61 LYS HB3 . 7014 1 770 . 1 1 61 61 LYS HG2 H 1 1.272 0.020 . 2 . . . . 61 LYS HG2 . 7014 1 771 . 1 1 61 61 LYS HG3 H 1 1.224 0.020 . 2 . . . . 61 LYS HG3 . 7014 1 772 . 1 1 61 61 LYS HD2 H 1 1.416 0.020 . 1 . . . . 61 LYS HD2 . 7014 1 773 . 1 1 61 61 LYS HD3 H 1 1.416 0.020 . 1 . . . . 61 LYS HD3 . 7014 1 774 . 1 1 61 61 LYS HE2 H 1 2.757 0.020 . 1 . . . . 61 LYS HE2 . 7014 1 775 . 1 1 61 61 LYS HE3 H 1 2.757 0.020 . 1 . . . . 61 LYS HE3 . 7014 1 776 . 1 1 61 61 LYS C C 13 175.005 0.400 . 1 . . . . 61 LYS C . 7014 1 777 . 1 1 61 61 LYS CA C 13 53.543 0.400 . 1 . . . . 61 LYS CA . 7014 1 778 . 1 1 61 61 LYS CB C 13 36.278 0.400 . 1 . . . . 61 LYS CB . 7014 1 779 . 1 1 61 61 LYS CG C 13 23.579 0.400 . 1 . . . . 61 LYS CG . 7014 1 780 . 1 1 61 61 LYS CD C 13 29.708 0.400 . 1 . . . . 61 LYS CD . 7014 1 781 . 1 1 61 61 LYS CE C 13 41.628 0.400 . 1 . . . . 61 LYS CE . 7014 1 782 . 1 1 61 61 LYS N N 15 124.466 0.400 . 1 . . . . 61 LYS N . 7014 1 783 . 1 1 62 62 ARG H H 1 8.778 0.020 . 1 . . . . 62 ARG H . 7014 1 784 . 1 1 62 62 ARG HA H 1 4.425 0.020 . 1 . . . . 62 ARG HA . 7014 1 785 . 1 1 62 62 ARG HB2 H 1 1.971 0.020 . 2 . . . . 62 ARG HB2 . 7014 1 786 . 1 1 62 62 ARG HB3 H 1 1.761 0.020 . 2 . . . . 62 ARG HB3 . 7014 1 787 . 1 1 62 62 ARG HG2 H 1 1.761 0.020 . 2 . . . . 62 ARG HG2 . 7014 1 788 . 1 1 62 62 ARG HG3 H 1 1.651 0.020 . 2 . . . . 62 ARG HG3 . 7014 1 789 . 1 1 62 62 ARG HD2 H 1 3.199 0.020 . 1 . . . . 62 ARG HD2 . 7014 1 790 . 1 1 62 62 ARG HD3 H 1 3.199 0.020 . 1 . . . . 62 ARG HD3 . 7014 1 791 . 1 1 62 62 ARG C C 13 176.170 0.400 . 1 . . . . 62 ARG C . 7014 1 792 . 1 1 62 62 ARG CA C 13 56.941 0.400 . 1 . . . . 62 ARG CA . 7014 1 793 . 1 1 62 62 ARG CB C 13 30.927 0.400 . 1 . . . . 62 ARG CB . 7014 1 794 . 1 1 62 62 ARG CG C 13 27.822 0.400 . 1 . . . . 62 ARG CG . 7014 1 795 . 1 1 62 62 ARG CD C 13 43.430 0.400 . 1 . . . . 62 ARG CD . 7014 1 796 . 1 1 62 62 ARG N N 15 122.110 0.400 . 1 . . . . 62 ARG N . 7014 1 797 . 1 1 63 63 SER H H 1 8.654 0.020 . 1 . . . . 63 SER H . 7014 1 798 . 1 1 63 63 SER HA H 1 4.395 0.020 . 1 . . . . 63 SER HA . 7014 1 799 . 1 1 63 63 SER HB2 H 1 3.669 0.020 . 2 . . . . 63 SER HB2 . 7014 1 800 . 1 1 63 63 SER HB3 H 1 3.645 0.020 . 2 . . . . 63 SER HB3 . 7014 1 801 . 1 1 63 63 SER C C 13 174.525 0.400 . 1 . . . . 63 SER C . 7014 1 802 . 1 1 63 63 SER CA C 13 58.203 0.400 . 1 . . . . 63 SER CA . 7014 1 803 . 1 1 63 63 SER CB C 13 63.859 0.400 . 1 . . . . 63 SER CB . 7014 1 804 . 1 1 63 63 SER N N 15 119.520 0.400 . 1 . . . . 63 SER N . 7014 1 805 . 1 1 64 64 ASP H H 1 8.511 0.020 . 1 . . . . 64 ASP H . 7014 1 806 . 1 1 64 64 ASP HA H 1 4.602 0.020 . 1 . . . . 64 ASP HA . 7014 1 807 . 1 1 64 64 ASP HB2 H 1 2.693 0.020 . 2 . . . . 64 ASP HB2 . 7014 1 808 . 1 1 64 64 ASP HB3 H 1 2.622 0.020 . 2 . . . . 64 ASP HB3 . 7014 1 809 . 1 1 64 64 ASP C C 13 176.078 0.400 . 1 . . . . 64 ASP C . 7014 1 810 . 1 1 64 64 ASP CA C 13 54.445 0.400 . 1 . . . . 64 ASP CA . 7014 1 811 . 1 1 64 64 ASP CB C 13 41.326 0.400 . 1 . . . . 64 ASP CB . 7014 1 812 . 1 1 64 64 ASP N N 15 123.789 0.400 . 1 . . . . 64 ASP N . 7014 1 813 . 1 1 65 65 ALA H H 1 8.243 0.020 . 1 . . . . 65 ALA H . 7014 1 814 . 1 1 65 65 ALA HA H 1 4.244 0.020 . 1 . . . . 65 ALA HA . 7014 1 815 . 1 1 65 65 ALA HB1 H 1 1.354 0.020 . 1 . . . . 65 ALA HB . 7014 1 816 . 1 1 65 65 ALA HB2 H 1 1.354 0.020 . 1 . . . . 65 ALA HB . 7014 1 817 . 1 1 65 65 ALA HB3 H 1 1.354 0.020 . 1 . . . . 65 ALA HB . 7014 1 818 . 1 1 65 65 ALA C C 13 177.631 0.400 . 1 . . . . 65 ALA C . 7014 1 819 . 1 1 65 65 ALA CA C 13 52.723 0.400 . 1 . . . . 65 ALA CA . 7014 1 820 . 1 1 65 65 ALA CB C 13 19.199 0.400 . 1 . . . . 65 ALA CB . 7014 1 821 . 1 1 65 65 ALA N N 15 123.310 0.400 . 1 . . . . 65 ALA N . 7014 1 822 . 1 1 66 66 LEU H H 1 8.148 0.020 . 1 . . . . 66 LEU H . 7014 1 823 . 1 1 66 66 LEU HA H 1 4.370 0.020 . 1 . . . . 66 LEU HA . 7014 1 824 . 1 1 66 66 LEU HB2 H 1 1.664 0.020 . 2 . . . . 66 LEU HB2 . 7014 1 825 . 1 1 66 66 LEU HB3 H 1 1.584 0.020 . 2 . . . . 66 LEU HB3 . 7014 1 826 . 1 1 66 66 LEU HG H 1 1.603 0.020 . 1 . . . . 66 LEU HG . 7014 1 827 . 1 1 66 66 LEU HD11 H 1 0.893 0.020 . 2 . . . . 66 LEU HD1 . 7014 1 828 . 1 1 66 66 LEU HD12 H 1 0.893 0.020 . 2 . . . . 66 LEU HD1 . 7014 1 829 . 1 1 66 66 LEU HD13 H 1 0.893 0.020 . 2 . . . . 66 LEU HD1 . 7014 1 830 . 1 1 66 66 LEU HD21 H 1 0.847 0.020 . 2 . . . . 66 LEU HD2 . 7014 1 831 . 1 1 66 66 LEU HD22 H 1 0.847 0.020 . 2 . . . . 66 LEU HD2 . 7014 1 832 . 1 1 66 66 LEU HD23 H 1 0.847 0.020 . 2 . . . . 66 LEU HD2 . 7014 1 833 . 1 1 66 66 LEU C C 13 177.576 0.400 . 1 . . . . 66 LEU C . 7014 1 834 . 1 1 66 66 LEU CA C 13 55.011 0.400 . 1 . . . . 66 LEU CA . 7014 1 835 . 1 1 66 66 LEU CB C 13 42.333 0.400 . 1 . . . . 66 LEU CB . 7014 1 836 . 1 1 66 66 LEU CG C 13 26.934 0.400 . 1 . . . . 66 LEU CG . 7014 1 837 . 1 1 66 66 LEU CD1 C 13 24.962 0.400 . 1 . . . . 66 LEU CD1 . 7014 1 838 . 1 1 66 66 LEU CD2 C 13 23.316 0.400 . 1 . . . . 66 LEU CD2 . 7014 1 839 . 1 1 66 66 LEU N N 15 119.653 0.400 . 1 . . . . 66 LEU N . 7014 1 840 . 1 1 67 67 SER H H 1 8.184 0.020 . 1 . . . . 67 SER H . 7014 1 841 . 1 1 67 67 SER HA H 1 4.447 0.020 . 1 . . . . 67 SER HA . 7014 1 842 . 1 1 67 67 SER HB2 H 1 3.843 0.020 . 2 . . . . 67 SER HB2 . 7014 1 843 . 1 1 67 67 SER HB3 H 1 3.904 0.020 . 2 . . . . 67 SER HB3 . 7014 1 844 . 1 1 67 67 SER C C 13 174.950 0.400 . 1 . . . . 67 SER C . 7014 1 845 . 1 1 67 67 SER CA C 13 58.405 0.400 . 1 . . . . 67 SER CA . 7014 1 846 . 1 1 67 67 SER CB C 13 63.652 0.400 . 1 . . . . 67 SER CB . 7014 1 847 . 1 1 67 67 SER N N 15 116.059 0.400 . 1 . . . . 67 SER N . 7014 1 848 . 1 1 68 68 THR H H 1 8.058 0.020 . 1 . . . . 68 THR H . 7014 1 849 . 1 1 68 68 THR HA H 1 4.353 0.020 . 1 . . . . 68 THR HA . 7014 1 850 . 1 1 68 68 THR HB H 1 4.268 0.020 . 1 . . . . 68 THR HB . 7014 1 851 . 1 1 68 68 THR HG21 H 1 1.165 0.020 . 1 . . . . 68 THR HG2 . 7014 1 852 . 1 1 68 68 THR HG22 H 1 1.165 0.020 . 1 . . . . 68 THR HG2 . 7014 1 853 . 1 1 68 68 THR HG23 H 1 1.165 0.020 . 1 . . . . 68 THR HG2 . 7014 1 854 . 1 1 68 68 THR C C 13 173.563 0.400 . 1 . . . . 68 THR C . 7014 1 855 . 1 1 68 68 THR CA C 13 61.602 0.400 . 1 . . . . 68 THR CA . 7014 1 856 . 1 1 68 68 THR CB C 13 69.620 0.400 . 1 . . . . 68 THR CB . 7014 1 857 . 1 1 68 68 THR CG2 C 13 21.621 0.400 . 1 . . . . 68 THR CG2 . 7014 1 858 . 1 1 68 68 THR N N 15 114.263 0.400 . 1 . . . . 68 THR N . 7014 1 859 . 1 1 69 69 ASN H H 1 8.082 0.020 . 1 . . . . 69 ASN H . 7014 1 860 . 1 1 69 69 ASN HA H 1 4.457 0.020 . 1 . . . . 69 ASN HA . 7014 1 861 . 1 1 69 69 ASN HB2 H 1 2.760 0.020 . 2 . . . . 69 ASN HB2 . 7014 1 862 . 1 1 69 69 ASN HB3 H 1 2.660 0.020 . 2 . . . . 69 ASN HB3 . 7014 1 863 . 1 1 69 69 ASN HD21 H 1 7.591 0.020 . 2 . . . . 69 ASN HD21 . 7014 1 864 . 1 1 69 69 ASN HD22 H 1 6.893 0.020 . 2 . . . . 69 ASN HD22 . 7014 1 865 . 1 1 69 69 ASN CA C 13 54.735 0.400 . 1 . . . . 69 ASN CA . 7014 1 866 . 1 1 69 69 ASN CB C 13 40.674 0.400 . 1 . . . . 69 ASN CB . 7014 1 867 . 1 1 69 69 ASN N N 15 125.869 0.400 . 1 . . . . 69 ASN N . 7014 1 868 . 1 1 69 69 ASN ND2 N 15 112.977 0.400 . 1 . . . . 69 ASN ND2 . 7014 1 869 . 1 1 70 70 HIS HA H 1 4.520 0.020 . 1 . . . . 70 HIS HA . 7014 1 870 . 1 1 70 70 HIS HB2 H 1 3.154 0.020 . 2 . . . . 70 HIS HB2 . 7014 1 871 . 1 1 70 70 HIS HB3 H 1 3.023 0.020 . 2 . . . . 70 HIS HB3 . 7014 1 872 . 1 1 70 70 HIS HD2 H 1 7.021 0.020 . 1 . . . . 70 HIS HD2 . 7014 1 873 . 1 1 70 70 HIS C C 13 176.152 0.400 . 1 . . . . 70 HIS C . 7014 1 874 . 1 1 70 70 HIS CA C 13 56.570 0.400 . 1 . . . . 70 HIS CA . 7014 1 875 . 1 1 70 70 HIS CB C 13 30.169 0.400 . 1 . . . . 70 HIS CB . 7014 1 876 . 1 1 70 70 HIS CD2 C 13 119.736 0.400 . 1 . . . . 70 HIS CD2 . 7014 1 877 . 1 1 71 71 GLY H H 1 8.411 0.020 . 1 . . . . 71 GLY H . 7014 1 878 . 1 1 71 71 GLY HA2 H 1 3.929 0.020 . 1 . . . . 71 GLY HA2 . 7014 1 879 . 1 1 71 71 GLY HA3 H 1 3.929 0.020 . 1 . . . . 71 GLY HA3 . 7014 1 880 . 1 1 71 71 GLY C C 13 174.062 0.400 . 1 . . . . 71 GLY C . 7014 1 881 . 1 1 71 71 GLY CA C 13 45.266 0.400 . 1 . . . . 71 GLY CA . 7014 1 882 . 1 1 71 71 GLY N N 15 109.337 0.400 . 1 . . . . 71 GLY N . 7014 1 883 . 1 1 72 72 HIS H H 1 7.963 0.020 . 1 . . . . 72 HIS H . 7014 1 884 . 1 1 72 72 HIS HA H 1 4.647 0.020 . 1 . . . . 72 HIS HA . 7014 1 885 . 1 1 72 72 HIS HB2 H 1 2.943 0.020 . 1 . . . . 72 HIS HB2 . 7014 1 886 . 1 1 72 72 HIS HB3 H 1 2.943 0.020 . 1 . . . . 72 HIS HB3 . 7014 1 887 . 1 1 72 72 HIS HD2 H 1 6.928 0.020 . 1 . . . . 72 HIS HD2 . 7014 1 888 . 1 1 72 72 HIS C C 13 175.227 0.400 . 1 . . . . 72 HIS C . 7014 1 889 . 1 1 72 72 HIS CA C 13 55.750 0.400 . 1 . . . . 72 HIS CA . 7014 1 890 . 1 1 72 72 HIS CB C 13 31.229 0.400 . 1 . . . . 72 HIS CB . 7014 1 891 . 1 1 72 72 HIS CD2 C 13 119.771 0.400 . 1 . . . . 72 HIS CD2 . 7014 1 892 . 1 1 72 72 HIS N N 15 119.645 0.400 . 1 . . . . 72 HIS N . 7014 1 893 . 1 1 73 73 LYS H H 1 8.503 0.020 . 1 . . . . 73 LYS H . 7014 1 894 . 1 1 73 73 LYS HA H 1 4.360 0.020 . 1 . . . . 73 LYS HA . 7014 1 895 . 1 1 73 73 LYS HB2 H 1 1.767 0.020 . 1 . . . . 73 LYS HB2 . 7014 1 896 . 1 1 73 73 LYS HB3 H 1 1.767 0.020 . 1 . . . . 73 LYS HB3 . 7014 1 897 . 1 1 73 73 LYS HG2 H 1 1.492 0.020 . 2 . . . . 73 LYS HG2 . 7014 1 898 . 1 1 73 73 LYS HG3 H 1 1.410 0.020 . 2 . . . . 73 LYS HG3 . 7014 1 899 . 1 1 73 73 LYS HD2 H 1 1.652 0.020 . 1 . . . . 73 LYS HD2 . 7014 1 900 . 1 1 73 73 LYS HD3 H 1 1.652 0.020 . 1 . . . . 73 LYS HD3 . 7014 1 901 . 1 1 73 73 LYS HE2 H 1 2.998 0.020 . 1 . . . . 73 LYS HE2 . 7014 1 902 . 1 1 73 73 LYS HE3 H 1 2.998 0.020 . 1 . . . . 73 LYS HE3 . 7014 1 903 . 1 1 73 73 LYS C C 13 175.264 0.400 . 1 . . . . 73 LYS C . 7014 1 904 . 1 1 73 73 LYS CA C 13 55.877 0.400 . 1 . . . . 73 LYS CA . 7014 1 905 . 1 1 73 73 LYS CB C 13 32.714 0.400 . 1 . . . . 73 LYS CB . 7014 1 906 . 1 1 73 73 LYS CG C 13 25.002 0.400 . 1 . . . . 73 LYS CG . 7014 1 907 . 1 1 73 73 LYS CD C 13 29.086 0.400 . 1 . . . . 73 LYS CD . 7014 1 908 . 1 1 73 73 LYS CE C 13 41.991 0.400 . 1 . . . . 73 LYS CE . 7014 1 909 . 1 1 73 73 LYS N N 15 121.171 0.400 . 1 . . . . 73 LYS N . 7014 1 910 . 1 1 74 74 VAL H H 1 8.062 0.020 . 1 . . . . 74 VAL H . 7014 1 911 . 1 1 74 74 VAL HA H 1 4.675 0.020 . 1 . . . . 74 VAL HA . 7014 1 912 . 1 1 74 74 VAL HB H 1 1.941 0.020 . 1 . . . . 74 VAL HB . 7014 1 913 . 1 1 74 74 VAL HG11 H 1 0.781 0.020 . 2 . . . . 74 VAL HG1 . 7014 1 914 . 1 1 74 74 VAL HG12 H 1 0.781 0.020 . 2 . . . . 74 VAL HG1 . 7014 1 915 . 1 1 74 74 VAL HG13 H 1 0.781 0.020 . 2 . . . . 74 VAL HG1 . 7014 1 916 . 1 1 74 74 VAL HG21 H 1 0.839 0.020 . 2 . . . . 74 VAL HG2 . 7014 1 917 . 1 1 74 74 VAL HG22 H 1 0.839 0.020 . 2 . . . . 74 VAL HG2 . 7014 1 918 . 1 1 74 74 VAL HG23 H 1 0.839 0.020 . 2 . . . . 74 VAL HG2 . 7014 1 919 . 1 1 74 74 VAL C C 13 176.596 0.400 . 1 . . . . 74 VAL C . 7014 1 920 . 1 1 74 74 VAL CA C 13 61.427 0.400 . 1 . . . . 74 VAL CA . 7014 1 921 . 1 1 74 74 VAL CB C 13 32.540 0.400 . 1 . . . . 74 VAL CB . 7014 1 922 . 1 1 74 74 VAL CG1 C 13 21.563 0.400 . 1 . . . . 74 VAL CG1 . 7014 1 923 . 1 1 74 74 VAL CG2 C 13 21.748 0.400 . 1 . . . . 74 VAL CG2 . 7014 1 924 . 1 1 74 74 VAL N N 15 122.485 0.400 . 1 . . . . 74 VAL N . 7014 1 925 . 1 1 75 75 VAL H H 1 8.978 0.020 . 1 . . . . 75 VAL H . 7014 1 926 . 1 1 75 75 VAL HA H 1 5.344 0.020 . 1 . . . . 75 VAL HA . 7014 1 927 . 1 1 75 75 VAL HB H 1 2.071 0.020 . 1 . . . . 75 VAL HB . 7014 1 928 . 1 1 75 75 VAL HG11 H 1 0.749 0.020 . 2 . . . . 75 VAL HG1 . 7014 1 929 . 1 1 75 75 VAL HG12 H 1 0.749 0.020 . 2 . . . . 75 VAL HG1 . 7014 1 930 . 1 1 75 75 VAL HG13 H 1 0.749 0.020 . 2 . . . . 75 VAL HG1 . 7014 1 931 . 1 1 75 75 VAL HG21 H 1 0.691 0.020 . 2 . . . . 75 VAL HG2 . 7014 1 932 . 1 1 75 75 VAL HG22 H 1 0.691 0.020 . 2 . . . . 75 VAL HG2 . 7014 1 933 . 1 1 75 75 VAL HG23 H 1 0.691 0.020 . 2 . . . . 75 VAL HG2 . 7014 1 934 . 1 1 75 75 VAL CA C 13 58.470 0.400 . 1 . . . . 75 VAL CA . 7014 1 935 . 1 1 75 75 VAL CB C 13 35.585 0.400 . 1 . . . . 75 VAL CB . 7014 1 936 . 1 1 75 75 VAL CG1 C 13 21.574 0.400 . 1 . . . . 75 VAL CG1 . 7014 1 937 . 1 1 75 75 VAL CG2 C 13 18.559 0.400 . 1 . . . . 75 VAL CG2 . 7014 1 938 . 1 1 75 75 VAL N N 15 119.514 0.400 . 1 . . . . 75 VAL N . 7014 1 939 . 1 1 76 76 GLU H H 1 8.956 0.020 . 1 . . . . 76 GLU H . 7014 1 940 . 1 1 76 76 GLU HA H 1 4.811 0.020 . 1 . . . . 76 GLU HA . 7014 1 941 . 1 1 76 76 GLU HB2 H 1 1.981 0.020 . 2 . . . . 76 GLU HB2 . 7014 1 942 . 1 1 76 76 GLU HB3 H 1 1.899 0.020 . 2 . . . . 76 GLU HB3 . 7014 1 943 . 1 1 76 76 GLU HG2 H 1 2.172 0.020 . 1 . . . . 76 GLU HG2 . 7014 1 944 . 1 1 76 76 GLU HG3 H 1 2.172 0.020 . 1 . . . . 76 GLU HG3 . 7014 1 945 . 1 1 76 76 GLU C C 13 174.247 0.400 . 1 . . . . 76 GLU C . 7014 1 946 . 1 1 76 76 GLU CA C 13 53.671 0.400 . 1 . . . . 76 GLU CA . 7014 1 947 . 1 1 76 76 GLU CB C 13 34.100 0.400 . 1 . . . . 76 GLU CB . 7014 1 948 . 1 1 76 76 GLU CG C 13 35.835 0.400 . 1 . . . . 76 GLU CG . 7014 1 949 . 1 1 76 76 GLU N N 15 116.248 0.400 . 1 . . . . 76 GLU N . 7014 1 950 . 1 1 77 77 LEU H H 1 8.482 0.020 . 1 . . . . 77 LEU H . 7014 1 951 . 1 1 77 77 LEU HA H 1 5.131 0.020 . 1 . . . . 77 LEU HA . 7014 1 952 . 1 1 77 77 LEU HB2 H 1 1.587 0.020 . 2 . . . . 77 LEU HB2 . 7014 1 953 . 1 1 77 77 LEU HB3 H 1 1.240 0.020 . 2 . . . . 77 LEU HB3 . 7014 1 954 . 1 1 77 77 LEU HG H 1 1.560 0.020 . 1 . . . . 77 LEU HG . 7014 1 955 . 1 1 77 77 LEU HD11 H 1 0.698 0.020 . 2 . . . . 77 LEU HD1 . 7014 1 956 . 1 1 77 77 LEU HD12 H 1 0.698 0.020 . 2 . . . . 77 LEU HD1 . 7014 1 957 . 1 1 77 77 LEU HD13 H 1 0.698 0.020 . 2 . . . . 77 LEU HD1 . 7014 1 958 . 1 1 77 77 LEU HD21 H 1 0.614 0.020 . 2 . . . . 77 LEU HD2 . 7014 1 959 . 1 1 77 77 LEU HD22 H 1 0.614 0.020 . 2 . . . . 77 LEU HD2 . 7014 1 960 . 1 1 77 77 LEU HD23 H 1 0.614 0.020 . 2 . . . . 77 LEU HD2 . 7014 1 961 . 1 1 77 77 LEU C C 13 177.409 0.400 . 1 . . . . 77 LEU C . 7014 1 962 . 1 1 77 77 LEU CA C 13 54.451 0.400 . 1 . . . . 77 LEU CA . 7014 1 963 . 1 1 77 77 LEU CB C 13 43.788 0.400 . 1 . . . . 77 LEU CB . 7014 1 964 . 1 1 77 77 LEU CG C 13 27.887 0.400 . 1 . . . . 77 LEU CG . 7014 1 965 . 1 1 77 77 LEU CD1 C 13 25.255 0.400 . 1 . . . . 77 LEU CD1 . 7014 1 966 . 1 1 77 77 LEU CD2 C 13 24.977 0.400 . 1 . . . . 77 LEU CD2 . 7014 1 967 . 1 1 77 77 LEU N N 15 121.160 0.400 . 1 . . . . 77 LEU N . 7014 1 968 . 1 1 78 78 VAL H H 1 8.609 0.020 . 1 . . . . 78 VAL H . 7014 1 969 . 1 1 78 78 VAL HA H 1 4.461 0.020 . 1 . . . . 78 VAL HA . 7014 1 970 . 1 1 78 78 VAL HB H 1 1.870 0.020 . 1 . . . . 78 VAL HB . 7014 1 971 . 1 1 78 78 VAL HG11 H 1 0.661 0.020 . 2 . . . . 78 VAL HG1 . 7014 1 972 . 1 1 78 78 VAL HG12 H 1 0.661 0.020 . 2 . . . . 78 VAL HG1 . 7014 1 973 . 1 1 78 78 VAL HG13 H 1 0.661 0.020 . 2 . . . . 78 VAL HG1 . 7014 1 974 . 1 1 78 78 VAL HG21 H 1 0.533 0.020 . 2 . . . . 78 VAL HG2 . 7014 1 975 . 1 1 78 78 VAL HG22 H 1 0.533 0.020 . 2 . . . . 78 VAL HG2 . 7014 1 976 . 1 1 78 78 VAL HG23 H 1 0.533 0.020 . 2 . . . . 78 VAL HG2 . 7014 1 977 . 1 1 78 78 VAL C C 13 172.823 0.400 . 1 . . . . 78 VAL C . 7014 1 978 . 1 1 78 78 VAL CA C 13 60.415 0.400 . 1 . . . . 78 VAL CA . 7014 1 979 . 1 1 78 78 VAL CB C 13 36.059 0.400 . 1 . . . . 78 VAL CB . 7014 1 980 . 1 1 78 78 VAL CG1 C 13 21.371 0.400 . 1 . . . . 78 VAL CG1 . 7014 1 981 . 1 1 78 78 VAL CG2 C 13 20.124 0.400 . 1 . . . . 78 VAL CG2 . 7014 1 982 . 1 1 78 78 VAL N N 15 118.985 0.400 . 1 . . . . 78 VAL N . 7014 1 983 . 1 1 79 79 ALA H H 1 8.708 0.020 . 1 . . . . 79 ALA H . 7014 1 984 . 1 1 79 79 ALA HA H 1 5.920 0.020 . 1 . . . . 79 ALA HA . 7014 1 985 . 1 1 79 79 ALA HB1 H 1 1.346 0.020 . 1 . . . . 79 ALA HB . 7014 1 986 . 1 1 79 79 ALA HB2 H 1 1.346 0.020 . 1 . . . . 79 ALA HB . 7014 1 987 . 1 1 79 79 ALA HB3 H 1 1.346 0.020 . 1 . . . . 79 ALA HB . 7014 1 988 . 1 1 79 79 ALA C C 13 176.318 0.400 . 1 . . . . 79 ALA C . 7014 1 989 . 1 1 79 79 ALA CA C 13 50.169 0.400 . 1 . . . . 79 ALA CA . 7014 1 990 . 1 1 79 79 ALA CB C 13 23.343 0.400 . 1 . . . . 79 ALA CB . 7014 1 991 . 1 1 79 79 ALA N N 15 125.676 0.400 . 1 . . . . 79 ALA N . 7014 1 992 . 1 1 80 80 GLU H H 1 8.898 0.020 . 1 . . . . 80 GLU H . 7014 1 993 . 1 1 80 80 GLU HA H 1 4.891 0.020 . 1 . . . . 80 GLU HA . 7014 1 994 . 1 1 80 80 GLU HB2 H 1 2.505 0.020 . 2 . . . . 80 GLU HB2 . 7014 1 995 . 1 1 80 80 GLU HB3 H 1 2.269 0.020 . 2 . . . . 80 GLU HB3 . 7014 1 996 . 1 1 80 80 GLU HG2 H 1 2.502 0.020 . 1 . . . . 80 GLU HG2 . 7014 1 997 . 1 1 80 80 GLU HG3 H 1 2.502 0.020 . 1 . . . . 80 GLU HG3 . 7014 1 998 . 1 1 80 80 GLU C C 13 175.116 0.400 . 1 . . . . 80 GLU C . 7014 1 999 . 1 1 80 80 GLU CA C 13 55.283 0.400 . 1 . . . . 80 GLU CA . 7014 1 1000 . 1 1 80 80 GLU CB C 13 35.189 0.400 . 1 . . . . 80 GLU CB . 7014 1 1001 . 1 1 80 80 GLU CG C 13 36.877 0.400 . 1 . . . . 80 GLU CG . 7014 1 1002 . 1 1 80 80 GLU N N 15 118.170 0.400 . 1 . . . . 80 GLU N . 7014 1 1003 . 1 1 81 81 MET H H 1 9.064 0.020 . 1 . . . . 81 MET H . 7014 1 1004 . 1 1 81 81 MET HA H 1 4.406 0.020 . 1 . . . . 81 MET HA . 7014 1 1005 . 1 1 81 81 MET HB2 H 1 2.632 0.020 . 2 . . . . 81 MET HB2 . 7014 1 1006 . 1 1 81 81 MET HB3 H 1 2.555 0.020 . 2 . . . . 81 MET HB3 . 7014 1 1007 . 1 1 81 81 MET HG2 H 1 2.161 0.020 . 2 . . . . 81 MET HG2 . 7014 1 1008 . 1 1 81 81 MET HG3 H 1 1.992 0.020 . 2 . . . . 81 MET HG3 . 7014 1 1009 . 1 1 81 81 MET HE1 H 1 2.067 0.020 . 1 . . . . 81 MET HE . 7014 1 1010 . 1 1 81 81 MET HE2 H 1 2.067 0.020 . 1 . . . . 81 MET HE . 7014 1 1011 . 1 1 81 81 MET HE3 H 1 2.067 0.020 . 1 . . . . 81 MET HE . 7014 1 1012 . 1 1 81 81 MET CA C 13 56.636 0.400 . 1 . . . . 81 MET CA . 7014 1 1013 . 1 1 81 81 MET CB C 13 32.054 0.400 . 1 . . . . 81 MET CB . 7014 1 1014 . 1 1 81 81 MET CG C 13 32.197 0.400 . 1 . . . . 81 MET CG . 7014 1 1015 . 1 1 81 81 MET CE C 13 16.761 0.400 . 1 . . . . 81 MET CE . 7014 1 1016 . 1 1 81 81 MET N N 15 122.129 0.400 . 1 . . . . 81 MET N . 7014 1 1017 . 1 1 82 82 ASP HA H 1 4.856 0.020 . 1 . . . . 82 ASP HA . 7014 1 1018 . 1 1 82 82 ASP HB2 H 1 2.887 0.020 . 2 . . . . 82 ASP HB2 . 7014 1 1019 . 1 1 82 82 ASP HB3 H 1 2.728 0.020 . 2 . . . . 82 ASP HB3 . 7014 1 1020 . 1 1 82 82 ASP C C 13 177.557 0.400 . 1 . . . . 82 ASP C . 7014 1 1021 . 1 1 82 82 ASP CA C 13 54.195 0.400 . 1 . . . . 82 ASP CA . 7014 1 1022 . 1 1 82 82 ASP CB C 13 42.019 0.400 . 1 . . . . 82 ASP CB . 7014 1 1023 . 1 1 83 83 GLY H H 1 7.928 0.020 . 1 . . . . 83 GLY H . 7014 1 1024 . 1 1 83 83 GLY HA2 H 1 4.160 0.020 . 2 . . . . 83 GLY HA2 . 7014 1 1025 . 1 1 83 83 GLY HA3 H 1 4.015 0.020 . 2 . . . . 83 GLY HA3 . 7014 1 1026 . 1 1 83 83 GLY C C 13 174.451 0.400 . 1 . . . . 83 GLY C . 7014 1 1027 . 1 1 83 83 GLY CA C 13 46.432 0.400 . 1 . . . . 83 GLY CA . 7014 1 1028 . 1 1 83 83 GLY N N 15 105.622 0.400 . 1 . . . . 83 GLY N . 7014 1 1029 . 1 1 84 84 ILE H H 1 7.775 0.020 . 1 . . . . 84 ILE H . 7014 1 1030 . 1 1 84 84 ILE HA H 1 3.825 0.020 . 1 . . . . 84 ILE HA . 7014 1 1031 . 1 1 84 84 ILE HB H 1 1.872 0.020 . 1 . . . . 84 ILE HB . 7014 1 1032 . 1 1 84 84 ILE HG12 H 1 1.418 0.020 . 2 . . . . 84 ILE HG12 . 7014 1 1033 . 1 1 84 84 ILE HG13 H 1 1.146 0.020 . 2 . . . . 84 ILE HG13 . 7014 1 1034 . 1 1 84 84 ILE HG21 H 1 0.769 0.020 . 1 . . . . 84 ILE HG2 . 7014 1 1035 . 1 1 84 84 ILE HG22 H 1 0.769 0.020 . 1 . . . . 84 ILE HG2 . 7014 1 1036 . 1 1 84 84 ILE HG23 H 1 0.769 0.020 . 1 . . . . 84 ILE HG2 . 7014 1 1037 . 1 1 84 84 ILE HD11 H 1 0.818 0.020 . 1 . . . . 84 ILE HD1 . 7014 1 1038 . 1 1 84 84 ILE HD12 H 1 0.818 0.020 . 1 . . . . 84 ILE HD1 . 7014 1 1039 . 1 1 84 84 ILE HD13 H 1 0.818 0.020 . 1 . . . . 84 ILE HD1 . 7014 1 1040 . 1 1 84 84 ILE C C 13 176.670 0.400 . 1 . . . . 84 ILE C . 7014 1 1041 . 1 1 84 84 ILE CA C 13 62.807 0.400 . 1 . . . . 84 ILE CA . 7014 1 1042 . 1 1 84 84 ILE CB C 13 37.861 0.400 . 1 . . . . 84 ILE CB . 7014 1 1043 . 1 1 84 84 ILE CG1 C 13 28.115 0.400 . 1 . . . . 84 ILE CG1 . 7014 1 1044 . 1 1 84 84 ILE CG2 C 13 17.296 0.400 . 1 . . . . 84 ILE CG2 . 7014 1 1045 . 1 1 84 84 ILE CD1 C 13 12.341 0.400 . 1 . . . . 84 ILE CD1 . 7014 1 1046 . 1 1 84 84 ILE N N 15 120.701 0.400 . 1 . . . . 84 ILE N . 7014 1 1047 . 1 1 85 85 GLN H H 1 9.578 0.020 . 1 . . . . 85 GLN H . 7014 1 1048 . 1 1 85 85 GLN HA H 1 4.154 0.020 . 1 . . . . 85 GLN HA . 7014 1 1049 . 1 1 85 85 GLN HB2 H 1 1.720 0.020 . 2 . . . . 85 GLN HB2 . 7014 1 1050 . 1 1 85 85 GLN HB3 H 1 1.585 0.020 . 2 . . . . 85 GLN HB3 . 7014 1 1051 . 1 1 85 85 GLN HG2 H 1 2.084 0.020 . 2 . . . . 85 GLN HG2 . 7014 1 1052 . 1 1 85 85 GLN HG3 H 1 1.806 0.020 . 2 . . . . 85 GLN HG3 . 7014 1 1053 . 1 1 85 85 GLN HE21 H 1 7.402 0.020 . 2 . . . . 85 GLN HE21 . 7014 1 1054 . 1 1 85 85 GLN HE22 H 1 6.762 0.020 . 2 . . . . 85 GLN HE22 . 7014 1 1055 . 1 1 85 85 GLN C C 13 177.724 0.400 . 1 . . . . 85 GLN C . 7014 1 1056 . 1 1 85 85 GLN CA C 13 57.307 0.400 . 1 . . . . 85 GLN CA . 7014 1 1057 . 1 1 85 85 GLN CB C 13 28.969 0.400 . 1 . . . . 85 GLN CB . 7014 1 1058 . 1 1 85 85 GLN CG C 13 33.725 0.400 . 1 . . . . 85 GLN CG . 7014 1 1059 . 1 1 85 85 GLN N N 15 122.607 0.400 . 1 . . . . 85 GLN N . 7014 1 1060 . 1 1 85 85 GLN NE2 N 15 111.621 0.400 . 1 . . . . 85 GLN NE2 . 7014 1 1061 . 1 1 86 86 TYR H H 1 9.051 0.020 . 1 . . . . 86 TYR H . 7014 1 1062 . 1 1 86 86 TYR HA H 1 4.351 0.020 . 1 . . . . 86 TYR HA . 7014 1 1063 . 1 1 86 86 TYR HB2 H 1 2.447 0.020 . 2 . . . . 86 TYR HB2 . 7014 1 1064 . 1 1 86 86 TYR HB3 H 1 2.239 0.020 . 2 . . . . 86 TYR HB3 . 7014 1 1065 . 1 1 86 86 TYR HD1 H 1 6.913 0.020 . 1 . . . . 86 TYR HD1 . 7014 1 1066 . 1 1 86 86 TYR HD2 H 1 6.913 0.020 . 1 . . . . 86 TYR HD2 . 7014 1 1067 . 1 1 86 86 TYR HE1 H 1 6.687 0.020 . 1 . . . . 86 TYR HE1 . 7014 1 1068 . 1 1 86 86 TYR HE2 H 1 6.687 0.020 . 1 . . . . 86 TYR HE2 . 7014 1 1069 . 1 1 86 86 TYR C C 13 176.873 0.400 . 1 . . . . 86 TYR C . 7014 1 1070 . 1 1 86 86 TYR CA C 13 58.290 0.400 . 1 . . . . 86 TYR CA . 7014 1 1071 . 1 1 86 86 TYR CB C 13 37.861 0.400 . 1 . . . . 86 TYR CB . 7014 1 1072 . 1 1 86 86 TYR CD1 C 13 132.752 0.400 . 1 . . . . 86 TYR CD1 . 7014 1 1073 . 1 1 86 86 TYR CD2 C 13 132.752 0.400 . 1 . . . . 86 TYR CD2 . 7014 1 1074 . 1 1 86 86 TYR CE1 C 13 117.963 0.400 . 1 . . . . 86 TYR CE1 . 7014 1 1075 . 1 1 86 86 TYR CE2 C 13 117.963 0.400 . 1 . . . . 86 TYR CE2 . 7014 1 1076 . 1 1 86 86 TYR N N 15 118.820 0.400 . 1 . . . . 86 TYR N . 7014 1 1077 . 1 1 87 87 GLY H H 1 7.874 0.020 . 1 . . . . 87 GLY H . 7014 1 1078 . 1 1 87 87 GLY HA2 H 1 3.779 0.020 . 2 . . . . 87 GLY HA2 . 7014 1 1079 . 1 1 87 87 GLY HA3 H 1 3.682 0.020 . 2 . . . . 87 GLY HA3 . 7014 1 1080 . 1 1 87 87 GLY C C 13 173.563 0.400 . 1 . . . . 87 GLY C . 7014 1 1081 . 1 1 87 87 GLY CA C 13 46.502 0.400 . 1 . . . . 87 GLY CA . 7014 1 1082 . 1 1 87 87 GLY N N 15 108.715 0.400 . 1 . . . . 87 GLY N . 7014 1 1083 . 1 1 88 88 ARG H H 1 7.701 0.020 . 1 . . . . 88 ARG H . 7014 1 1084 . 1 1 88 88 ARG HA H 1 4.440 0.020 . 1 . . . . 88 ARG HA . 7014 1 1085 . 1 1 88 88 ARG HB2 H 1 1.893 0.020 . 2 . . . . 88 ARG HB2 . 7014 1 1086 . 1 1 88 88 ARG HB3 H 1 1.614 0.020 . 2 . . . . 88 ARG HB3 . 7014 1 1087 . 1 1 88 88 ARG HG2 H 1 1.542 0.020 . 1 . . . . 88 ARG HG2 . 7014 1 1088 . 1 1 88 88 ARG HG3 H 1 1.542 0.020 . 1 . . . . 88 ARG HG3 . 7014 1 1089 . 1 1 88 88 ARG HD2 H 1 3.153 0.020 . 1 . . . . 88 ARG HD2 . 7014 1 1090 . 1 1 88 88 ARG HD3 H 1 3.153 0.020 . 1 . . . . 88 ARG HD3 . 7014 1 1091 . 1 1 88 88 ARG C C 13 175.856 0.400 . 1 . . . . 88 ARG C . 7014 1 1092 . 1 1 88 88 ARG CA C 13 55.068 0.400 . 1 . . . . 88 ARG CA . 7014 1 1093 . 1 1 88 88 ARG CB C 13 31.130 0.400 . 1 . . . . 88 ARG CB . 7014 1 1094 . 1 1 88 88 ARG CG C 13 27.029 0.400 . 1 . . . . 88 ARG CG . 7014 1 1095 . 1 1 88 88 ARG CD C 13 43.296 0.400 . 1 . . . . 88 ARG CD . 7014 1 1096 . 1 1 88 88 ARG N N 15 118.586 0.400 . 1 . . . . 88 ARG N . 7014 1 1097 . 1 1 89 89 SER H H 1 7.828 0.020 . 1 . . . . 89 SER H . 7014 1 1098 . 1 1 89 89 SER HA H 1 4.387 0.020 . 1 . . . . 89 SER HA . 7014 1 1099 . 1 1 89 89 SER HB2 H 1 3.840 0.020 . 2 . . . . 89 SER HB2 . 7014 1 1100 . 1 1 89 89 SER HB3 H 1 3.880 0.020 . 2 . . . . 89 SER HB3 . 7014 1 1101 . 1 1 89 89 SER C C 13 175.597 0.400 . 1 . . . . 89 SER C . 7014 1 1102 . 1 1 89 89 SER CA C 13 58.275 0.400 . 1 . . . . 89 SER CA . 7014 1 1103 . 1 1 89 89 SER CB C 13 63.454 0.400 . 1 . . . . 89 SER CB . 7014 1 1104 . 1 1 89 89 SER N N 15 115.844 0.400 . 1 . . . . 89 SER N . 7014 1 1105 . 1 1 90 90 GLY H H 1 8.686 0.020 . 1 . . . . 90 GLY H . 7014 1 1106 . 1 1 90 90 GLY HA2 H 1 4.092 0.020 . 2 . . . . 90 GLY HA2 . 7014 1 1107 . 1 1 90 90 GLY HA3 H 1 3.933 0.020 . 2 . . . . 90 GLY HA3 . 7014 1 1108 . 1 1 90 90 GLY C C 13 174.284 0.400 . 1 . . . . 90 GLY C . 7014 1 1109 . 1 1 90 90 GLY CA C 13 45.780 0.400 . 1 . . . . 90 GLY CA . 7014 1 1110 . 1 1 90 90 GLY N N 15 112.660 0.400 . 1 . . . . 90 GLY N . 7014 1 1111 . 1 1 91 91 ILE H H 1 7.843 0.020 . 1 . . . . 91 ILE H . 7014 1 1112 . 1 1 91 91 ILE HA H 1 4.256 0.020 . 1 . . . . 91 ILE HA . 7014 1 1113 . 1 1 91 91 ILE HB H 1 2.000 0.020 . 1 . . . . 91 ILE HB . 7014 1 1114 . 1 1 91 91 ILE HG12 H 1 1.452 0.020 . 2 . . . . 91 ILE HG12 . 7014 1 1115 . 1 1 91 91 ILE HG13 H 1 1.244 0.020 . 2 . . . . 91 ILE HG13 . 7014 1 1116 . 1 1 91 91 ILE HG21 H 1 0.972 0.020 . 1 . . . . 91 ILE HG2 . 7014 1 1117 . 1 1 91 91 ILE HG22 H 1 0.972 0.020 . 1 . . . . 91 ILE HG2 . 7014 1 1118 . 1 1 91 91 ILE HG23 H 1 0.972 0.020 . 1 . . . . 91 ILE HG2 . 7014 1 1119 . 1 1 91 91 ILE HD11 H 1 0.883 0.020 . 1 . . . . 91 ILE HD1 . 7014 1 1120 . 1 1 91 91 ILE HD12 H 1 0.883 0.020 . 1 . . . . 91 ILE HD1 . 7014 1 1121 . 1 1 91 91 ILE HD13 H 1 0.883 0.020 . 1 . . . . 91 ILE HD1 . 7014 1 1122 . 1 1 91 91 ILE C C 13 175.763 0.400 . 1 . . . . 91 ILE C . 7014 1 1123 . 1 1 91 91 ILE CA C 13 61.322 0.400 . 1 . . . . 91 ILE CA . 7014 1 1124 . 1 1 91 91 ILE CB C 13 38.554 0.400 . 1 . . . . 91 ILE CB . 7014 1 1125 . 1 1 91 91 ILE CG1 C 13 27.404 0.400 . 1 . . . . 91 ILE CG1 . 7014 1 1126 . 1 1 91 91 ILE CG2 C 13 17.985 0.400 . 1 . . . . 91 ILE CG2 . 7014 1 1127 . 1 1 91 91 ILE CD1 C 13 13.287 0.400 . 1 . . . . 91 ILE CD1 . 7014 1 1128 . 1 1 91 91 ILE N N 15 117.173 0.400 . 1 . . . . 91 ILE N . 7014 1 1129 . 1 1 92 92 THR H H 1 7.902 0.020 . 1 . . . . 92 THR H . 7014 1 1130 . 1 1 92 92 THR HA H 1 4.409 0.020 . 1 . . . . 92 THR HA . 7014 1 1131 . 1 1 92 92 THR HB H 1 4.087 0.020 . 1 . . . . 92 THR HB . 7014 1 1132 . 1 1 92 92 THR HG21 H 1 1.012 0.020 . 1 . . . . 92 THR HG2 . 7014 1 1133 . 1 1 92 92 THR HG22 H 1 1.012 0.020 . 1 . . . . 92 THR HG2 . 7014 1 1134 . 1 1 92 92 THR HG23 H 1 1.012 0.020 . 1 . . . . 92 THR HG2 . 7014 1 1135 . 1 1 92 92 THR C C 13 174.118 0.400 . 1 . . . . 92 THR C . 7014 1 1136 . 1 1 92 92 THR CA C 13 62.482 0.400 . 1 . . . . 92 THR CA . 7014 1 1137 . 1 1 92 92 THR CB C 13 68.804 0.400 . 1 . . . . 92 THR CB . 7014 1 1138 . 1 1 92 92 THR CG2 C 13 23.853 0.400 . 1 . . . . 92 THR CG2 . 7014 1 1139 . 1 1 92 92 THR N N 15 119.011 0.400 . 1 . . . . 92 THR N . 7014 1 1140 . 1 1 93 93 LEU H H 1 8.924 0.020 . 1 . . . . 93 LEU H . 7014 1 1141 . 1 1 93 93 LEU HA H 1 4.438 0.020 . 1 . . . . 93 LEU HA . 7014 1 1142 . 1 1 93 93 LEU HB2 H 1 1.598 0.020 . 2 . . . . 93 LEU HB2 . 7014 1 1143 . 1 1 93 93 LEU HB3 H 1 1.434 0.020 . 2 . . . . 93 LEU HB3 . 7014 1 1144 . 1 1 93 93 LEU HG H 1 1.694 0.020 . 1 . . . . 93 LEU HG . 7014 1 1145 . 1 1 93 93 LEU HD11 H 1 0.813 0.020 . 2 . . . . 93 LEU HD1 . 7014 1 1146 . 1 1 93 93 LEU HD12 H 1 0.813 0.020 . 2 . . . . 93 LEU HD1 . 7014 1 1147 . 1 1 93 93 LEU HD13 H 1 0.813 0.020 . 2 . . . . 93 LEU HD1 . 7014 1 1148 . 1 1 93 93 LEU HD21 H 1 0.779 0.020 . 2 . . . . 93 LEU HD2 . 7014 1 1149 . 1 1 93 93 LEU HD22 H 1 0.779 0.020 . 2 . . . . 93 LEU HD2 . 7014 1 1150 . 1 1 93 93 LEU HD23 H 1 0.779 0.020 . 2 . . . . 93 LEU HD2 . 7014 1 1151 . 1 1 93 93 LEU C C 13 177.668 0.400 . 1 . . . . 93 LEU C . 7014 1 1152 . 1 1 93 93 LEU CA C 13 56.359 0.400 . 1 . . . . 93 LEU CA . 7014 1 1153 . 1 1 93 93 LEU CB C 13 42.811 0.400 . 1 . . . . 93 LEU CB . 7014 1 1154 . 1 1 93 93 LEU CG C 13 28.677 0.400 . 1 . . . . 93 LEU CG . 7014 1 1155 . 1 1 93 93 LEU CD1 C 13 25.432 0.400 . 1 . . . . 93 LEU CD1 . 7014 1 1156 . 1 1 93 93 LEU CD2 C 13 24.265 0.400 . 1 . . . . 93 LEU CD2 . 7014 1 1157 . 1 1 93 93 LEU N N 15 125.636 0.400 . 1 . . . . 93 LEU N . 7014 1 1158 . 1 1 94 94 GLY H H 1 7.446 0.020 . 1 . . . . 94 GLY H . 7014 1 1159 . 1 1 94 94 GLY HA2 H 1 4.346 0.020 . 2 . . . . 94 GLY HA2 . 7014 1 1160 . 1 1 94 94 GLY HA3 H 1 3.923 0.020 . 2 . . . . 94 GLY HA3 . 7014 1 1161 . 1 1 94 94 GLY C C 13 169.680 0.400 . 1 . . . . 94 GLY C . 7014 1 1162 . 1 1 94 94 GLY CA C 13 45.286 0.400 . 1 . . . . 94 GLY CA . 7014 1 1163 . 1 1 94 94 GLY N N 15 103.803 0.400 . 1 . . . . 94 GLY N . 7014 1 1164 . 1 1 95 95 VAL H H 1 9.072 0.020 . 1 . . . . 95 VAL H . 7014 1 1165 . 1 1 95 95 VAL HA H 1 4.711 0.020 . 1 . . . . 95 VAL HA . 7014 1 1166 . 1 1 95 95 VAL HB H 1 1.669 0.020 . 1 . . . . 95 VAL HB . 7014 1 1167 . 1 1 95 95 VAL HG11 H 1 0.905 0.020 . 2 . . . . 95 VAL HG1 . 7014 1 1168 . 1 1 95 95 VAL HG12 H 1 0.905 0.020 . 2 . . . . 95 VAL HG1 . 7014 1 1169 . 1 1 95 95 VAL HG13 H 1 0.905 0.020 . 2 . . . . 95 VAL HG1 . 7014 1 1170 . 1 1 95 95 VAL HG21 H 1 0.669 0.020 . 2 . . . . 95 VAL HG2 . 7014 1 1171 . 1 1 95 95 VAL HG22 H 1 0.669 0.020 . 2 . . . . 95 VAL HG2 . 7014 1 1172 . 1 1 95 95 VAL HG23 H 1 0.669 0.020 . 2 . . . . 95 VAL HG2 . 7014 1 1173 . 1 1 95 95 VAL C C 13 174.377 0.400 . 1 . . . . 95 VAL C . 7014 1 1174 . 1 1 95 95 VAL CA C 13 59.969 0.400 . 1 . . . . 95 VAL CA . 7014 1 1175 . 1 1 95 95 VAL CB C 13 34.859 0.400 . 1 . . . . 95 VAL CB . 7014 1 1176 . 1 1 95 95 VAL CG1 C 13 22.105 0.400 . 1 . . . . 95 VAL CG1 . 7014 1 1177 . 1 1 95 95 VAL CG2 C 13 22.303 0.400 . 1 . . . . 95 VAL CG2 . 7014 1 1178 . 1 1 95 95 VAL N N 15 120.719 0.400 . 1 . . . . 95 VAL N . 7014 1 1179 . 1 1 96 96 LEU H H 1 9.073 0.020 . 1 . . . . 96 LEU H . 7014 1 1180 . 1 1 96 96 LEU HA H 1 5.301 0.020 . 1 . . . . 96 LEU HA . 7014 1 1181 . 1 1 96 96 LEU HB2 H 1 1.707 0.020 . 2 . . . . 96 LEU HB2 . 7014 1 1182 . 1 1 96 96 LEU HB3 H 1 1.500 0.020 . 2 . . . . 96 LEU HB3 . 7014 1 1183 . 1 1 96 96 LEU HG H 1 1.618 0.020 . 1 . . . . 96 LEU HG . 7014 1 1184 . 1 1 96 96 LEU HD11 H 1 0.806 0.020 . 2 . . . . 96 LEU HD1 . 7014 1 1185 . 1 1 96 96 LEU HD12 H 1 0.806 0.020 . 2 . . . . 96 LEU HD1 . 7014 1 1186 . 1 1 96 96 LEU HD13 H 1 0.806 0.020 . 2 . . . . 96 LEU HD1 . 7014 1 1187 . 1 1 96 96 LEU HD21 H 1 0.796 0.020 . 2 . . . . 96 LEU HD2 . 7014 1 1188 . 1 1 96 96 LEU HD22 H 1 0.796 0.020 . 2 . . . . 96 LEU HD2 . 7014 1 1189 . 1 1 96 96 LEU HD23 H 1 0.796 0.020 . 2 . . . . 96 LEU HD2 . 7014 1 1190 . 1 1 96 96 LEU C C 13 175.005 0.400 . 1 . . . . 96 LEU C . 7014 1 1191 . 1 1 96 96 LEU CA C 13 53.403 0.400 . 1 . . . . 96 LEU CA . 7014 1 1192 . 1 1 96 96 LEU CB C 13 43.405 0.400 . 1 . . . . 96 LEU CB . 7014 1 1193 . 1 1 96 96 LEU CG C 13 26.762 0.400 . 1 . . . . 96 LEU CG . 7014 1 1194 . 1 1 96 96 LEU CD1 C 13 26.387 0.400 . 1 . . . . 96 LEU CD1 . 7014 1 1195 . 1 1 96 96 LEU CD2 C 13 23.381 0.400 . 1 . . . . 96 LEU CD2 . 7014 1 1196 . 1 1 96 96 LEU N N 15 126.495 0.400 . 1 . . . . 96 LEU N . 7014 1 1197 . 1 1 97 97 VAL H H 1 8.299 0.020 . 1 . . . . 97 VAL H . 7014 1 1198 . 1 1 97 97 VAL HA H 1 3.988 0.020 . 1 . . . . 97 VAL HA . 7014 1 1199 . 1 1 97 97 VAL HB H 1 2.204 0.020 . 1 . . . . 97 VAL HB . 7014 1 1200 . 1 1 97 97 VAL HG11 H 1 0.633 0.020 . 2 . . . . 97 VAL HG1 . 7014 1 1201 . 1 1 97 97 VAL HG12 H 1 0.633 0.020 . 2 . . . . 97 VAL HG1 . 7014 1 1202 . 1 1 97 97 VAL HG13 H 1 0.633 0.020 . 2 . . . . 97 VAL HG1 . 7014 1 1203 . 1 1 97 97 VAL HG21 H 1 0.474 0.020 . 2 . . . . 97 VAL HG2 . 7014 1 1204 . 1 1 97 97 VAL HG22 H 1 0.474 0.020 . 2 . . . . 97 VAL HG2 . 7014 1 1205 . 1 1 97 97 VAL HG23 H 1 0.474 0.020 . 2 . . . . 97 VAL HG2 . 7014 1 1206 . 1 1 97 97 VAL CA C 13 57.997 0.400 . 1 . . . . 97 VAL CA . 7014 1 1207 . 1 1 97 97 VAL CB C 13 33.296 0.400 . 1 . . . . 97 VAL CB . 7014 1 1208 . 1 1 97 97 VAL CG1 C 13 23.443 0.400 . 1 . . . . 97 VAL CG1 . 7014 1 1209 . 1 1 97 97 VAL CG2 C 13 17.875 0.400 . 1 . . . . 97 VAL CG2 . 7014 1 1210 . 1 1 97 97 VAL N N 15 113.185 0.400 . 1 . . . . 97 VAL N . 7014 1 1211 . 1 1 98 98 PRO HA H 1 4.141 0.020 . 1 . . . . 98 PRO HA . 7014 1 1212 . 1 1 98 98 PRO HB2 H 1 1.926 0.020 . 2 . . . . 98 PRO HB2 . 7014 1 1213 . 1 1 98 98 PRO HB3 H 1 1.619 0.020 . 2 . . . . 98 PRO HB3 . 7014 1 1214 . 1 1 98 98 PRO HG2 H 1 1.608 0.020 . 2 . . . . 98 PRO HG2 . 7014 1 1215 . 1 1 98 98 PRO HG3 H 1 1.011 0.020 . 2 . . . . 98 PRO HG3 . 7014 1 1216 . 1 1 98 98 PRO HD2 H 1 1.322 0.020 . 2 . . . . 98 PRO HD2 . 7014 1 1217 . 1 1 98 98 PRO HD3 H 1 3.229 0.020 . 2 . . . . 98 PRO HD3 . 7014 1 1218 . 1 1 98 98 PRO C C 13 173.378 0.400 . 1 . . . . 98 PRO C . 7014 1 1219 . 1 1 98 98 PRO CA C 13 63.396 0.400 . 1 . . . . 98 PRO CA . 7014 1 1220 . 1 1 98 98 PRO CB C 13 31.398 0.400 . 1 . . . . 98 PRO CB . 7014 1 1221 . 1 1 98 98 PRO CG C 13 27.433 0.400 . 1 . . . . 98 PRO CG . 7014 1 1222 . 1 1 98 98 PRO CD C 13 48.455 0.400 . 1 . . . . 98 PRO CD . 7014 1 1223 . 1 1 99 99 HIS H H 1 8.088 0.020 . 1 . . . . 99 HIS H . 7014 1 1224 . 1 1 99 99 HIS HA H 1 5.108 0.020 . 1 . . . . 99 HIS HA . 7014 1 1225 . 1 1 99 99 HIS HB2 H 1 2.877 0.020 . 2 . . . . 99 HIS HB2 . 7014 1 1226 . 1 1 99 99 HIS HB3 H 1 2.467 0.020 . 2 . . . . 99 HIS HB3 . 7014 1 1227 . 1 1 99 99 HIS HD2 H 1 8.008 0.020 . 1 . . . . 99 HIS HD2 . 7014 1 1228 . 1 1 99 99 HIS C C 13 175.745 0.400 . 1 . . . . 99 HIS C . 7014 1 1229 . 1 1 99 99 HIS CA C 13 52.905 0.400 . 1 . . . . 99 HIS CA . 7014 1 1230 . 1 1 99 99 HIS CB C 13 32.912 0.400 . 1 . . . . 99 HIS CB . 7014 1 1231 . 1 1 99 99 HIS CD2 C 13 118.499 0.400 . 1 . . . . 99 HIS CD2 . 7014 1 1232 . 1 1 99 99 HIS N N 15 120.642 0.400 . 1 . . . . 99 HIS N . 7014 1 1233 . 1 1 100 100 VAL H H 1 10.415 0.020 . 1 . . . . 100 VAL H . 7014 1 1234 . 1 1 100 100 VAL HA H 1 4.334 0.020 . 1 . . . . 100 VAL HA . 7014 1 1235 . 1 1 100 100 VAL HB H 1 2.285 0.020 . 1 . . . . 100 VAL HB . 7014 1 1236 . 1 1 100 100 VAL HG11 H 1 0.880 0.020 . 2 . . . . 100 VAL HG1 . 7014 1 1237 . 1 1 100 100 VAL HG12 H 1 0.880 0.020 . 2 . . . . 100 VAL HG1 . 7014 1 1238 . 1 1 100 100 VAL HG13 H 1 0.880 0.020 . 2 . . . . 100 VAL HG1 . 7014 1 1239 . 1 1 100 100 VAL HG21 H 1 0.930 0.020 . 2 . . . . 100 VAL HG2 . 7014 1 1240 . 1 1 100 100 VAL HG22 H 1 0.930 0.020 . 2 . . . . 100 VAL HG2 . 7014 1 1241 . 1 1 100 100 VAL HG23 H 1 0.930 0.020 . 2 . . . . 100 VAL HG2 . 7014 1 1242 . 1 1 100 100 VAL C C 13 175.468 0.400 . 1 . . . . 100 VAL C . 7014 1 1243 . 1 1 100 100 VAL CA C 13 60.188 0.400 . 1 . . . . 100 VAL CA . 7014 1 1244 . 1 1 100 100 VAL CB C 13 31.625 0.400 . 1 . . . . 100 VAL CB . 7014 1 1245 . 1 1 100 100 VAL CG1 C 13 21.749 0.400 . 1 . . . . 100 VAL CG1 . 7014 1 1246 . 1 1 100 100 VAL CG2 C 13 20.476 0.400 . 1 . . . . 100 VAL CG2 . 7014 1 1247 . 1 1 100 100 VAL N N 15 130.868 0.400 . 1 . . . . 100 VAL N . 7014 1 1248 . 1 1 101 101 GLY H H 1 6.564 0.020 . 1 . . . . 101 GLY H . 7014 1 1249 . 1 1 101 101 GLY HA2 H 1 4.116 0.020 . 2 . . . . 101 GLY HA2 . 7014 1 1250 . 1 1 101 101 GLY HA3 H 1 3.437 0.020 . 2 . . . . 101 GLY HA3 . 7014 1 1251 . 1 1 101 101 GLY C C 13 174.820 0.400 . 1 . . . . 101 GLY C . 7014 1 1252 . 1 1 101 101 GLY CA C 13 45.114 0.400 . 1 . . . . 101 GLY CA . 7014 1 1253 . 1 1 101 101 GLY N N 15 107.085 0.400 . 1 . . . . 101 GLY N . 7014 1 1254 . 1 1 102 102 GLU H H 1 10.739 0.020 . 1 . . . . 102 GLU H . 7014 1 1255 . 1 1 102 102 GLU HA H 1 4.154 0.020 . 1 . . . . 102 GLU HA . 7014 1 1256 . 1 1 102 102 GLU HB2 H 1 2.068 0.020 . 2 . . . . 102 GLU HB2 . 7014 1 1257 . 1 1 102 102 GLU HB3 H 1 2.023 0.020 . 2 . . . . 102 GLU HB3 . 7014 1 1258 . 1 1 102 102 GLU HG2 H 1 2.527 0.020 . 2 . . . . 102 GLU HG2 . 7014 1 1259 . 1 1 102 102 GLU HG3 H 1 2.253 0.020 . 2 . . . . 102 GLU HG3 . 7014 1 1260 . 1 1 102 102 GLU C C 13 177.631 0.400 . 1 . . . . 102 GLU C . 7014 1 1261 . 1 1 102 102 GLU CA C 13 58.722 0.400 . 1 . . . . 102 GLU CA . 7014 1 1262 . 1 1 102 102 GLU CB C 13 29.550 0.400 . 1 . . . . 102 GLU CB . 7014 1 1263 . 1 1 102 102 GLU CG C 13 36.962 0.400 . 1 . . . . 102 GLU CG . 7014 1 1264 . 1 1 102 102 GLU N N 15 124.857 0.400 . 1 . . . . 102 GLU N . 7014 1 1265 . 1 1 103 103 THR H H 1 9.224 0.020 . 1 . . . . 103 THR H . 7014 1 1266 . 1 1 103 103 THR HA H 1 4.442 0.020 . 1 . . . . 103 THR HA . 7014 1 1267 . 1 1 103 103 THR HB H 1 4.097 0.020 . 1 . . . . 103 THR HB . 7014 1 1268 . 1 1 103 103 THR HG21 H 1 1.256 0.020 . 1 . . . . 103 THR HG2 . 7014 1 1269 . 1 1 103 103 THR HG22 H 1 1.256 0.020 . 1 . . . . 103 THR HG2 . 7014 1 1270 . 1 1 103 103 THR HG23 H 1 1.256 0.020 . 1 . . . . 103 THR HG2 . 7014 1 1271 . 1 1 103 103 THR CA C 13 61.293 0.400 . 1 . . . . 103 THR CA . 7014 1 1272 . 1 1 103 103 THR CB C 13 69.579 0.400 . 1 . . . . 103 THR CB . 7014 1 1273 . 1 1 103 103 THR CG2 C 13 21.497 0.400 . 1 . . . . 103 THR CG2 . 7014 1 1274 . 1 1 103 103 THR N N 15 122.861 0.400 . 1 . . . . 103 THR N . 7014 1 1275 . 1 1 104 104 PRO HA H 1 4.538 0.020 . 1 . . . . 104 PRO HA . 7014 1 1276 . 1 1 104 104 PRO HB2 H 1 1.832 0.020 . 2 . . . . 104 PRO HB2 . 7014 1 1277 . 1 1 104 104 PRO HB3 H 1 1.562 0.020 . 2 . . . . 104 PRO HB3 . 7014 1 1278 . 1 1 104 104 PRO HG2 H 1 2.131 0.020 . 2 . . . . 104 PRO HG2 . 7014 1 1279 . 1 1 104 104 PRO HG3 H 1 1.478 0.020 . 2 . . . . 104 PRO HG3 . 7014 1 1280 . 1 1 104 104 PRO HD2 H 1 4.607 0.020 . 2 . . . . 104 PRO HD2 . 7014 1 1281 . 1 1 104 104 PRO HD3 H 1 3.663 0.020 . 2 . . . . 104 PRO HD3 . 7014 1 1282 . 1 1 104 104 PRO C C 13 177.280 0.400 . 1 . . . . 104 PRO C . 7014 1 1283 . 1 1 104 104 PRO CA C 13 61.980 0.400 . 1 . . . . 104 PRO CA . 7014 1 1284 . 1 1 104 104 PRO CB C 13 32.877 0.400 . 1 . . . . 104 PRO CB . 7014 1 1285 . 1 1 104 104 PRO CG C 13 28.202 0.400 . 1 . . . . 104 PRO CG . 7014 1 1286 . 1 1 104 104 PRO CD C 13 51.604 0.400 . 1 . . . . 104 PRO CD . 7014 1 1287 . 1 1 105 105 ILE H H 1 8.859 0.020 . 1 . . . . 105 ILE H . 7014 1 1288 . 1 1 105 105 ILE HA H 1 4.339 0.020 . 1 . . . . 105 ILE HA . 7014 1 1289 . 1 1 105 105 ILE HB H 1 1.934 0.020 . 1 . . . . 105 ILE HB . 7014 1 1290 . 1 1 105 105 ILE HG12 H 1 0.895 0.020 . 2 . . . . 105 ILE HG12 . 7014 1 1291 . 1 1 105 105 ILE HG13 H 1 1.149 0.020 . 2 . . . . 105 ILE HG13 . 7014 1 1292 . 1 1 105 105 ILE HG21 H 1 0.912 0.020 . 1 . . . . 105 ILE HG2 . 7014 1 1293 . 1 1 105 105 ILE HG22 H 1 0.912 0.020 . 1 . . . . 105 ILE HG2 . 7014 1 1294 . 1 1 105 105 ILE HG23 H 1 0.912 0.020 . 1 . . . . 105 ILE HG2 . 7014 1 1295 . 1 1 105 105 ILE HD11 H 1 0.763 0.020 . 1 . . . . 105 ILE HD1 . 7014 1 1296 . 1 1 105 105 ILE HD12 H 1 0.763 0.020 . 1 . . . . 105 ILE HD1 . 7014 1 1297 . 1 1 105 105 ILE HD13 H 1 0.763 0.020 . 1 . . . . 105 ILE HD1 . 7014 1 1298 . 1 1 105 105 ILE C C 13 175.505 0.400 . 1 . . . . 105 ILE C . 7014 1 1299 . 1 1 105 105 ILE CA C 13 60.981 0.400 . 1 . . . . 105 ILE CA . 7014 1 1300 . 1 1 105 105 ILE CB C 13 38.880 0.400 . 1 . . . . 105 ILE CB . 7014 1 1301 . 1 1 105 105 ILE CG1 C 13 26.262 0.400 . 1 . . . . 105 ILE CG1 . 7014 1 1302 . 1 1 105 105 ILE CG2 C 13 18.351 0.400 . 1 . . . . 105 ILE CG2 . 7014 1 1303 . 1 1 105 105 ILE CD1 C 13 13.738 0.400 . 1 . . . . 105 ILE CD1 . 7014 1 1304 . 1 1 105 105 ILE N N 15 115.766 0.400 . 1 . . . . 105 ILE N . 7014 1 1305 . 1 1 106 106 ALA H H 1 7.743 0.020 . 1 . . . . 106 ALA H . 7014 1 1306 . 1 1 106 106 ALA HA H 1 4.392 0.020 . 1 . . . . 106 ALA HA . 7014 1 1307 . 1 1 106 106 ALA HB1 H 1 1.364 0.020 . 1 . . . . 106 ALA HB . 7014 1 1308 . 1 1 106 106 ALA HB2 H 1 1.364 0.020 . 1 . . . . 106 ALA HB . 7014 1 1309 . 1 1 106 106 ALA HB3 H 1 1.364 0.020 . 1 . . . . 106 ALA HB . 7014 1 1310 . 1 1 106 106 ALA C C 13 173.896 0.400 . 1 . . . . 106 ALA C . 7014 1 1311 . 1 1 106 106 ALA CA C 13 51.002 0.400 . 1 . . . . 106 ALA CA . 7014 1 1312 . 1 1 106 106 ALA CB C 13 20.668 0.400 . 1 . . . . 106 ALA CB . 7014 1 1313 . 1 1 106 106 ALA N N 15 121.062 0.400 . 1 . . . . 106 ALA N . 7014 1 1314 . 1 1 107 107 TYR H H 1 8.431 0.020 . 1 . . . . 107 TYR H . 7014 1 1315 . 1 1 107 107 TYR HA H 1 5.194 0.020 . 1 . . . . 107 TYR HA . 7014 1 1316 . 1 1 107 107 TYR HB2 H 1 2.624 0.020 . 1 . . . . 107 TYR HB2 . 7014 1 1317 . 1 1 107 107 TYR HB3 H 1 2.624 0.020 . 1 . . . . 107 TYR HB3 . 7014 1 1318 . 1 1 107 107 TYR HD1 H 1 6.832 0.020 . 1 . . . . 107 TYR HD1 . 7014 1 1319 . 1 1 107 107 TYR HD2 H 1 6.832 0.020 . 1 . . . . 107 TYR HD2 . 7014 1 1320 . 1 1 107 107 TYR HE1 H 1 6.706 0.020 . 1 . . . . 107 TYR HE1 . 7014 1 1321 . 1 1 107 107 TYR HE2 H 1 6.706 0.020 . 1 . . . . 107 TYR HE2 . 7014 1 1322 . 1 1 107 107 TYR C C 13 175.579 0.400 . 1 . . . . 107 TYR C . 7014 1 1323 . 1 1 107 107 TYR CA C 13 57.659 0.400 . 1 . . . . 107 TYR CA . 7014 1 1324 . 1 1 107 107 TYR CB C 13 41.864 0.400 . 1 . . . . 107 TYR CB . 7014 1 1325 . 1 1 107 107 TYR CD1 C 13 132.989 0.400 . 1 . . . . 107 TYR CD1 . 7014 1 1326 . 1 1 107 107 TYR CD2 C 13 132.989 0.400 . 1 . . . . 107 TYR CD2 . 7014 1 1327 . 1 1 107 107 TYR CE1 C 13 117.444 0.400 . 1 . . . . 107 TYR CE1 . 7014 1 1328 . 1 1 107 107 TYR CE2 C 13 117.444 0.400 . 1 . . . . 107 TYR CE2 . 7014 1 1329 . 1 1 107 107 TYR N N 15 116.456 0.400 . 1 . . . . 107 TYR N . 7014 1 1330 . 1 1 108 108 ARG H H 1 9.279 0.020 . 1 . . . . 108 ARG H . 7014 1 1331 . 1 1 108 108 ARG HA H 1 4.706 0.020 . 1 . . . . 108 ARG HA . 7014 1 1332 . 1 1 108 108 ARG HB2 H 1 1.636 0.020 . 2 . . . . 108 ARG HB2 . 7014 1 1333 . 1 1 108 108 ARG HB3 H 1 1.438 0.020 . 2 . . . . 108 ARG HB3 . 7014 1 1334 . 1 1 108 108 ARG HG2 H 1 1.417 0.020 . 2 . . . . 108 ARG HG2 . 7014 1 1335 . 1 1 108 108 ARG HG3 H 1 1.354 0.020 . 2 . . . . 108 ARG HG3 . 7014 1 1336 . 1 1 108 108 ARG HD2 H 1 3.221 0.020 . 2 . . . . 108 ARG HD2 . 7014 1 1337 . 1 1 108 108 ARG HD3 H 1 3.061 0.020 . 2 . . . . 108 ARG HD3 . 7014 1 1338 . 1 1 108 108 ARG C C 13 174.414 0.400 . 1 . . . . 108 ARG C . 7014 1 1339 . 1 1 108 108 ARG CA C 13 53.060 0.400 . 1 . . . . 108 ARG CA . 7014 1 1340 . 1 1 108 108 ARG CB C 13 32.079 0.400 . 1 . . . . 108 ARG CB . 7014 1 1341 . 1 1 108 108 ARG CG C 13 26.742 0.400 . 1 . . . . 108 ARG CG . 7014 1 1342 . 1 1 108 108 ARG CD C 13 42.270 0.400 . 1 . . . . 108 ARG CD . 7014 1 1343 . 1 1 108 108 ARG N N 15 121.644 0.400 . 1 . . . . 108 ARG N . 7014 1 1344 . 1 1 109 109 ASN H H 1 8.824 0.020 . 1 . . . . 109 ASN H . 7014 1 1345 . 1 1 109 109 ASN HA H 1 5.622 0.020 . 1 . . . . 109 ASN HA . 7014 1 1346 . 1 1 109 109 ASN HB2 H 1 2.629 0.020 . 2 . . . . 109 ASN HB2 . 7014 1 1347 . 1 1 109 109 ASN HB3 H 1 2.433 0.020 . 2 . . . . 109 ASN HB3 . 7014 1 1348 . 1 1 109 109 ASN HD21 H 1 7.443 0.020 . 2 . . . . 109 ASN HD21 . 7014 1 1349 . 1 1 109 109 ASN HD22 H 1 6.893 0.020 . 2 . . . . 109 ASN HD22 . 7014 1 1350 . 1 1 109 109 ASN C C 13 175.153 0.400 . 1 . . . . 109 ASN C . 7014 1 1351 . 1 1 109 109 ASN CA C 13 52.624 0.400 . 1 . . . . 109 ASN CA . 7014 1 1352 . 1 1 109 109 ASN CB C 13 39.049 0.400 . 1 . . . . 109 ASN CB . 7014 1 1353 . 1 1 109 109 ASN N N 15 125.340 0.400 . 1 . . . . 109 ASN N . 7014 1 1354 . 1 1 109 109 ASN ND2 N 15 113.089 0.400 . 1 . . . . 109 ASN ND2 . 7014 1 1355 . 1 1 110 110 VAL H H 1 8.815 0.020 . 1 . . . . 110 VAL H . 7014 1 1356 . 1 1 110 110 VAL HA H 1 4.784 0.020 . 1 . . . . 110 VAL HA . 7014 1 1357 . 1 1 110 110 VAL HB H 1 2.093 0.020 . 1 . . . . 110 VAL HB . 7014 1 1358 . 1 1 110 110 VAL HG11 H 1 0.694 0.020 . 2 . . . . 110 VAL HG1 . 7014 1 1359 . 1 1 110 110 VAL HG12 H 1 0.694 0.020 . 2 . . . . 110 VAL HG1 . 7014 1 1360 . 1 1 110 110 VAL HG13 H 1 0.694 0.020 . 2 . . . . 110 VAL HG1 . 7014 1 1361 . 1 1 110 110 VAL HG21 H 1 0.661 0.020 . 2 . . . . 110 VAL HG2 . 7014 1 1362 . 1 1 110 110 VAL HG22 H 1 0.661 0.020 . 2 . . . . 110 VAL HG2 . 7014 1 1363 . 1 1 110 110 VAL HG23 H 1 0.661 0.020 . 2 . . . . 110 VAL HG2 . 7014 1 1364 . 1 1 110 110 VAL C C 13 173.119 0.400 . 1 . . . . 110 VAL C . 7014 1 1365 . 1 1 110 110 VAL CA C 13 58.946 0.400 . 1 . . . . 110 VAL CA . 7014 1 1366 . 1 1 110 110 VAL CB C 13 35.981 0.400 . 1 . . . . 110 VAL CB . 7014 1 1367 . 1 1 110 110 VAL CG1 C 13 21.650 0.400 . 1 . . . . 110 VAL CG1 . 7014 1 1368 . 1 1 110 110 VAL CG2 C 13 18.647 0.400 . 1 . . . . 110 VAL CG2 . 7014 1 1369 . 1 1 110 110 VAL N N 15 116.919 0.400 . 1 . . . . 110 VAL N . 7014 1 1370 . 1 1 111 111 LEU H H 1 8.500 0.020 . 1 . . . . 111 LEU H . 7014 1 1371 . 1 1 111 111 LEU HA H 1 5.051 0.020 . 1 . . . . 111 LEU HA . 7014 1 1372 . 1 1 111 111 LEU HB2 H 1 1.511 0.020 . 2 . . . . 111 LEU HB2 . 7014 1 1373 . 1 1 111 111 LEU HB3 H 1 1.203 0.020 . 2 . . . . 111 LEU HB3 . 7014 1 1374 . 1 1 111 111 LEU HG H 1 1.360 0.020 . 1 . . . . 111 LEU HG . 7014 1 1375 . 1 1 111 111 LEU HD11 H 1 0.646 0.020 . 2 . . . . 111 LEU HD1 . 7014 1 1376 . 1 1 111 111 LEU HD12 H 1 0.646 0.020 . 2 . . . . 111 LEU HD1 . 7014 1 1377 . 1 1 111 111 LEU HD13 H 1 0.646 0.020 . 2 . . . . 111 LEU HD1 . 7014 1 1378 . 1 1 111 111 LEU HD21 H 1 0.617 0.020 . 2 . . . . 111 LEU HD2 . 7014 1 1379 . 1 1 111 111 LEU HD22 H 1 0.617 0.020 . 2 . . . . 111 LEU HD2 . 7014 1 1380 . 1 1 111 111 LEU HD23 H 1 0.617 0.020 . 2 . . . . 111 LEU HD2 . 7014 1 1381 . 1 1 111 111 LEU C C 13 174.543 0.400 . 1 . . . . 111 LEU C . 7014 1 1382 . 1 1 111 111 LEU CA C 13 52.973 0.400 . 1 . . . . 111 LEU CA . 7014 1 1383 . 1 1 111 111 LEU CB C 13 43.451 0.400 . 1 . . . . 111 LEU CB . 7014 1 1384 . 1 1 111 111 LEU CG C 13 27.099 0.400 . 1 . . . . 111 LEU CG . 7014 1 1385 . 1 1 111 111 LEU CD1 C 13 24.209 0.400 . 1 . . . . 111 LEU CD1 . 7014 1 1386 . 1 1 111 111 LEU CD2 C 13 24.902 0.400 . 1 . . . . 111 LEU CD2 . 7014 1 1387 . 1 1 111 111 LEU N N 15 122.936 0.400 . 1 . . . . 111 LEU N . 7014 1 1388 . 1 1 112 112 LEU H H 1 8.974 0.020 . 1 . . . . 112 LEU H . 7014 1 1389 . 1 1 112 112 LEU HA H 1 4.687 0.020 . 1 . . . . 112 LEU HA . 7014 1 1390 . 1 1 112 112 LEU HB2 H 1 1.847 0.020 . 2 . . . . 112 LEU HB2 . 7014 1 1391 . 1 1 112 112 LEU HB3 H 1 1.166 0.020 . 2 . . . . 112 LEU HB3 . 7014 1 1392 . 1 1 112 112 LEU HG H 1 1.607 0.020 . 1 . . . . 112 LEU HG . 7014 1 1393 . 1 1 112 112 LEU HD11 H 1 0.803 0.020 . 2 . . . . 112 LEU HD1 . 7014 1 1394 . 1 1 112 112 LEU HD12 H 1 0.803 0.020 . 2 . . . . 112 LEU HD1 . 7014 1 1395 . 1 1 112 112 LEU HD13 H 1 0.803 0.020 . 2 . . . . 112 LEU HD1 . 7014 1 1396 . 1 1 112 112 LEU HD21 H 1 0.841 0.020 . 2 . . . . 112 LEU HD2 . 7014 1 1397 . 1 1 112 112 LEU HD22 H 1 0.841 0.020 . 2 . . . . 112 LEU HD2 . 7014 1 1398 . 1 1 112 112 LEU HD23 H 1 0.841 0.020 . 2 . . . . 112 LEU HD2 . 7014 1 1399 . 1 1 112 112 LEU C C 13 176.355 0.400 . 1 . . . . 112 LEU C . 7014 1 1400 . 1 1 112 112 LEU CA C 13 53.502 0.400 . 1 . . . . 112 LEU CA . 7014 1 1401 . 1 1 112 112 LEU CB C 13 44.692 0.400 . 1 . . . . 112 LEU CB . 7014 1 1402 . 1 1 112 112 LEU CG C 13 27.015 0.400 . 1 . . . . 112 LEU CG . 7014 1 1403 . 1 1 112 112 LEU CD1 C 13 26.236 0.400 . 1 . . . . 112 LEU CD1 . 7014 1 1404 . 1 1 112 112 LEU CD2 C 13 24.418 0.400 . 1 . . . . 112 LEU CD2 . 7014 1 1405 . 1 1 112 112 LEU N N 15 124.956 0.400 . 1 . . . . 112 LEU N . 7014 1 1406 . 1 1 113 113 ARG H H 1 8.899 0.020 . 1 . . . . 113 ARG H . 7014 1 1407 . 1 1 113 113 ARG HA H 1 4.321 0.020 . 1 . . . . 113 ARG HA . 7014 1 1408 . 1 1 113 113 ARG HB2 H 1 1.798 0.020 . 2 . . . . 113 ARG HB2 . 7014 1 1409 . 1 1 113 113 ARG HB3 H 1 1.657 0.020 . 2 . . . . 113 ARG HB3 . 7014 1 1410 . 1 1 113 113 ARG HG2 H 1 1.593 0.020 . 1 . . . . 113 ARG HG2 . 7014 1 1411 . 1 1 113 113 ARG HG3 H 1 1.593 0.020 . 1 . . . . 113 ARG HG3 . 7014 1 1412 . 1 1 113 113 ARG HD2 H 1 3.152 0.020 . 1 . . . . 113 ARG HD2 . 7014 1 1413 . 1 1 113 113 ARG HD3 H 1 3.152 0.020 . 1 . . . . 113 ARG HD3 . 7014 1 1414 . 1 1 113 113 ARG C C 13 175.745 0.400 . 1 . . . . 113 ARG C . 7014 1 1415 . 1 1 113 113 ARG CA C 13 56.721 0.400 . 1 . . . . 113 ARG CA . 7014 1 1416 . 1 1 113 113 ARG CB C 13 30.734 0.400 . 1 . . . . 113 ARG CB . 7014 1 1417 . 1 1 113 113 ARG CG C 13 27.221 0.400 . 1 . . . . 113 ARG CG . 7014 1 1418 . 1 1 113 113 ARG CD C 13 43.555 0.400 . 1 . . . . 113 ARG CD . 7014 1 1419 . 1 1 113 113 ARG N N 15 126.420 0.400 . 1 . . . . 113 ARG N . 7014 1 1420 . 1 1 114 114 LYS H H 1 8.618 0.020 . 1 . . . . 114 LYS H . 7014 1 1421 . 1 1 114 114 LYS HA H 1 4.346 0.020 . 1 . . . . 114 LYS HA . 7014 1 1422 . 1 1 114 114 LYS HB2 H 1 1.757 0.020 . 2 . . . . 114 LYS HB2 . 7014 1 1423 . 1 1 114 114 LYS HB3 H 1 1.631 0.020 . 2 . . . . 114 LYS HB3 . 7014 1 1424 . 1 1 114 114 LYS HG2 H 1 1.358 0.020 . 1 . . . . 114 LYS HG2 . 7014 1 1425 . 1 1 114 114 LYS HG3 H 1 1.358 0.020 . 1 . . . . 114 LYS HG3 . 7014 1 1426 . 1 1 114 114 LYS HD2 H 1 1.600 0.020 . 1 . . . . 114 LYS HD2 . 7014 1 1427 . 1 1 114 114 LYS HD3 H 1 1.600 0.020 . 1 . . . . 114 LYS HD3 . 7014 1 1428 . 1 1 114 114 LYS HE2 H 1 2.912 0.020 . 1 . . . . 114 LYS HE2 . 7014 1 1429 . 1 1 114 114 LYS HE3 H 1 2.912 0.020 . 1 . . . . 114 LYS HE3 . 7014 1 1430 . 1 1 114 114 LYS C C 13 175.079 0.400 . 1 . . . . 114 LYS C . 7014 1 1431 . 1 1 114 114 LYS CA C 13 56.186 0.400 . 1 . . . . 114 LYS CA . 7014 1 1432 . 1 1 114 114 LYS CB C 13 33.671 0.400 . 1 . . . . 114 LYS CB . 7014 1 1433 . 1 1 114 114 LYS CG C 13 24.728 0.400 . 1 . . . . 114 LYS CG . 7014 1 1434 . 1 1 114 114 LYS CD C 13 29.315 0.400 . 1 . . . . 114 LYS CD . 7014 1 1435 . 1 1 114 114 LYS CE C 13 41.861 0.400 . 1 . . . . 114 LYS CE . 7014 1 1436 . 1 1 114 114 LYS N N 15 126.157 0.400 . 1 . . . . 114 LYS N . 7014 1 1437 . 1 1 115 115 ASN H H 1 8.242 0.020 . 1 . . . . 115 ASN H . 7014 1 1438 . 1 1 115 115 ASN HA H 1 4.426 0.020 . 1 . . . . 115 ASN HA . 7014 1 1439 . 1 1 115 115 ASN HB2 H 1 2.827 0.020 . 2 . . . . 115 ASN HB2 . 7014 1 1440 . 1 1 115 115 ASN HB3 H 1 2.691 0.020 . 2 . . . . 115 ASN HB3 . 7014 1 1441 . 1 1 115 115 ASN HD21 H 1 7.652 0.020 . 2 . . . . 115 ASN HD21 . 7014 1 1442 . 1 1 115 115 ASN HD22 H 1 6.939 0.020 . 2 . . . . 115 ASN HD22 . 7014 1 1443 . 1 1 115 115 ASN C C 13 174.876 0.400 . 1 . . . . 115 ASN C . 7014 1 1444 . 1 1 115 115 ASN CA C 13 54.882 0.400 . 1 . . . . 115 ASN CA . 7014 1 1445 . 1 1 115 115 ASN CB C 13 40.343 0.400 . 1 . . . . 115 ASN CB . 7014 1 1446 . 1 1 115 115 ASN N N 15 126.592 0.400 . 1 . . . . 115 ASN N . 7014 1 1447 . 1 1 115 115 ASN ND2 N 15 113.089 0.400 . 1 . . . . 115 ASN ND2 . 7014 1 1448 . 1 1 116 116 GLY H H 1 7.992 0.020 . 1 . . . . 116 GLY H . 7014 1 1449 . 1 1 116 116 GLY HA2 H 1 3.727 0.020 . 1 . . . . 116 GLY HA2 . 7014 1 1450 . 1 1 116 116 GLY HA3 H 1 3.727 0.020 . 1 . . . . 116 GLY HA3 . 7014 1 1451 . 1 1 116 116 GLY CA C 13 46.275 0.400 . 1 . . . . 116 GLY CA . 7014 1 1452 . 1 1 116 116 GLY N N 15 120.816 0.400 . 1 . . . . 116 GLY N . 7014 1 stop_ save_