data_17137 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17137 _Entry.Title ; Rhodanese Y ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-20 _Entry.Accession_date 2010-08-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _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 Hongwei Li . . . 17137 2 Changwen Jin . . . 17137 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17137 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 451 17137 '15N chemical shifts' 108 17137 '1H chemical shifts' 751 17137 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-03-24 2010-08-20 update BMRB 'update entry citation' 17137 1 . . 2010-10-26 2010-08-20 original author 'original release' 17137 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17137 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20960078 _Citation.Full_citation . _Citation.Title '(1)H, (13)C and (15)N resonance assignments of the rhodanese domain of YgaP from Escherichia coli.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 101 _Citation.Page_last 103 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hongwei Li . . . 17137 1 2 Yunchen Bi . . . 17137 1 3 Bin Xia . . . 17137 1 4 Changwen Jin . . . 17137 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17137 _Assembly.ID 1 _Assembly.Name YgaP _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 YgaP 1 $YgaP A . yes native no no . . . 17137 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YgaP _Entity.Sf_category entity _Entity.Sf_framecode YgaP _Entity.Entry_ID 17137 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YgaP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MALTTISPHDAQELIARGAK LIDIRDADEYLREHIPEADL APLSVLEQSGLPAKLRHEQI IFHCQAGKRTSNNADKLAAI AAPAEIFLLEDGIDGWKRAG LPVAVNK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 107 _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19943 . YgaP . . . . . 99.07 108 99.06 100.00 2.25e-68 . . . . 17137 1 2 no BMRB 19946 . YgaP . . . . . 99.07 108 99.06 100.00 2.25e-68 . . . . 17137 1 3 no BMRB 25085 . YgaP . . . . . 100.00 114 100.00 100.00 1.63e-69 . . . . 17137 1 4 no PDB 2MOI . "3d Nmr Structure Of The Cytoplasmic Rhodanese Domain Of The Inner Membrane Protein Ygap From Escherichia Coli" . . . . . 99.07 108 99.06 100.00 2.25e-68 . . . . 17137 1 5 no PDB 2MOL . "3d Nmr Structure Of The Cytoplasmic Rhodanese Domain Of The Full- Length Inner Membrane Protein Ygap From Escherichia Coli" . . . . . 99.07 108 99.06 100.00 2.25e-68 . . . . 17137 1 6 no PDB 2MRM . "Solution Structure Of The Rhodanese Domain Of Ygap From E. Coli" . . . . . 100.00 114 100.00 100.00 1.63e-69 . . . . 17137 1 7 no DBJ BAB36952 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 172 97.20 99.07 4.35e-67 . . . . 17137 1 8 no DBJ BAE76780 . "predicted inner membrane protein with hydrolase activity [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 174 99.07 100.00 7.23e-69 . . . . 17137 1 9 no DBJ BAG78445 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 174 98.13 98.13 2.23e-67 . . . . 17137 1 10 no DBJ BAI26930 . "predicted inner membrane protein [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 174 98.13 98.13 2.02e-67 . . . . 17137 1 11 no DBJ BAI31960 . "predicted inner membrane protein [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 174 98.13 98.13 2.02e-67 . . . . 17137 1 12 no EMBL CAQ33005 . "predicted inner membrane protein with hydrolase activity [Escherichia coli BL21(DE3)]" . . . . . 100.00 174 100.00 100.00 2.38e-69 . . . . 17137 1 13 no EMBL CAQ87965 . "conserved hypothetical protein; putative inner membrane protein with hydrolase activity [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 174 98.13 99.07 1.20e-67 . . . . 17137 1 14 no EMBL CAQ99590 . "conserved hypothetical protein; putative inner membrane protein with hydrolase activity [Escherichia coli IAI1]" . . . . . 100.00 174 98.13 98.13 2.28e-67 . . . . 17137 1 15 no EMBL CAR04179 . "conserved hypothetical protein; putative inner membrane protein with hydrolase activity [Escherichia coli S88]" . . . . . 100.00 174 98.13 99.07 1.10e-67 . . . . 17137 1 16 no EMBL CAR09287 . "conserved hypothetical protein; putative inner membrane protein with hydrolase activity [Escherichia coli ED1a]" . . . . . 100.00 174 97.20 98.13 8.33e-67 . . . . 17137 1 17 no GB AAC75715 . "DUF2892 family inner membrane rhodanese [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 174 99.07 100.00 7.23e-69 . . . . 17137 1 18 no GB AAG57776 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 172 97.20 99.07 4.35e-67 . . . . 17137 1 19 no GB AAN44189 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 174 98.13 98.13 2.72e-67 . . . . 17137 1 20 no GB AAN81669 . "Hypothetical protein ygaP [Escherichia coli CFT073]" . . . . . 100.00 174 97.20 98.13 8.33e-67 . . . . 17137 1 21 no GB AAP18017 . "hypothetical protein S2882 [Shigella flexneri 2a str. 2457T]" . . . . . 100.00 174 98.13 98.13 2.72e-67 . . . . 17137 1 22 no REF NP_311556 . "hypothetical protein ECs3529 [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 172 97.20 99.07 4.35e-67 . . . . 17137 1 23 no REF NP_417154 . "DUF2892 family inner membrane rhodanese [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 174 99.07 100.00 7.23e-69 . . . . 17137 1 24 no REF NP_708482 . "hypothetical protein SF2696 [Shigella flexneri 2a str. 301]" . . . . . 100.00 174 98.13 98.13 2.72e-67 . . . . 17137 1 25 no REF WP_001229433 . "membrane protein [Escherichia coli]" . . . . . 100.00 174 97.20 98.13 1.11e-66 . . . . 17137 1 26 no REF WP_001229437 . "membrane protein [Escherichia coli]" . . . . . 100.00 174 98.13 99.07 1.28e-67 . . . . 17137 1 27 no SP P55734 . "RecName: Full=Inner membrane protein YgaP" . . . . . 100.00 174 99.07 100.00 7.23e-69 . . . . 17137 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17137 1 2 . ALA . 17137 1 3 . LEU . 17137 1 4 . THR . 17137 1 5 . THR . 17137 1 6 . ILE . 17137 1 7 . SER . 17137 1 8 . PRO . 17137 1 9 . HIS . 17137 1 10 . ASP . 17137 1 11 . ALA . 17137 1 12 . GLN . 17137 1 13 . GLU . 17137 1 14 . LEU . 17137 1 15 . ILE . 17137 1 16 . ALA . 17137 1 17 . ARG . 17137 1 18 . GLY . 17137 1 19 . ALA . 17137 1 20 . LYS . 17137 1 21 . LEU . 17137 1 22 . ILE . 17137 1 23 . ASP . 17137 1 24 . ILE . 17137 1 25 . ARG . 17137 1 26 . ASP . 17137 1 27 . ALA . 17137 1 28 . ASP . 17137 1 29 . GLU . 17137 1 30 . TYR . 17137 1 31 . LEU . 17137 1 32 . ARG . 17137 1 33 . GLU . 17137 1 34 . HIS . 17137 1 35 . ILE . 17137 1 36 . PRO . 17137 1 37 . GLU . 17137 1 38 . ALA . 17137 1 39 . ASP . 17137 1 40 . LEU . 17137 1 41 . ALA . 17137 1 42 . PRO . 17137 1 43 . LEU . 17137 1 44 . SER . 17137 1 45 . VAL . 17137 1 46 . LEU . 17137 1 47 . GLU . 17137 1 48 . GLN . 17137 1 49 . SER . 17137 1 50 . GLY . 17137 1 51 . LEU . 17137 1 52 . PRO . 17137 1 53 . ALA . 17137 1 54 . LYS . 17137 1 55 . LEU . 17137 1 56 . ARG . 17137 1 57 . HIS . 17137 1 58 . GLU . 17137 1 59 . GLN . 17137 1 60 . ILE . 17137 1 61 . ILE . 17137 1 62 . PHE . 17137 1 63 . HIS . 17137 1 64 . CYS . 17137 1 65 . GLN . 17137 1 66 . ALA . 17137 1 67 . GLY . 17137 1 68 . LYS . 17137 1 69 . ARG . 17137 1 70 . THR . 17137 1 71 . SER . 17137 1 72 . ASN . 17137 1 73 . ASN . 17137 1 74 . ALA . 17137 1 75 . ASP . 17137 1 76 . LYS . 17137 1 77 . LEU . 17137 1 78 . ALA . 17137 1 79 . ALA . 17137 1 80 . ILE . 17137 1 81 . ALA . 17137 1 82 . ALA . 17137 1 83 . PRO . 17137 1 84 . ALA . 17137 1 85 . GLU . 17137 1 86 . ILE . 17137 1 87 . PHE . 17137 1 88 . LEU . 17137 1 89 . LEU . 17137 1 90 . GLU . 17137 1 91 . ASP . 17137 1 92 . GLY . 17137 1 93 . ILE . 17137 1 94 . ASP . 17137 1 95 . GLY . 17137 1 96 . TRP . 17137 1 97 . LYS . 17137 1 98 . ARG . 17137 1 99 . ALA . 17137 1 100 . GLY . 17137 1 101 . LEU . 17137 1 102 . PRO . 17137 1 103 . VAL . 17137 1 104 . ALA . 17137 1 105 . VAL . 17137 1 106 . ASN . 17137 1 107 . LYS . 17137 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17137 1 . ALA 2 2 17137 1 . LEU 3 3 17137 1 . THR 4 4 17137 1 . THR 5 5 17137 1 . ILE 6 6 17137 1 . SER 7 7 17137 1 . PRO 8 8 17137 1 . HIS 9 9 17137 1 . ASP 10 10 17137 1 . ALA 11 11 17137 1 . GLN 12 12 17137 1 . GLU 13 13 17137 1 . LEU 14 14 17137 1 . ILE 15 15 17137 1 . ALA 16 16 17137 1 . ARG 17 17 17137 1 . GLY 18 18 17137 1 . ALA 19 19 17137 1 . LYS 20 20 17137 1 . LEU 21 21 17137 1 . ILE 22 22 17137 1 . ASP 23 23 17137 1 . ILE 24 24 17137 1 . ARG 25 25 17137 1 . ASP 26 26 17137 1 . ALA 27 27 17137 1 . ASP 28 28 17137 1 . GLU 29 29 17137 1 . TYR 30 30 17137 1 . LEU 31 31 17137 1 . ARG 32 32 17137 1 . GLU 33 33 17137 1 . HIS 34 34 17137 1 . ILE 35 35 17137 1 . PRO 36 36 17137 1 . GLU 37 37 17137 1 . ALA 38 38 17137 1 . ASP 39 39 17137 1 . LEU 40 40 17137 1 . ALA 41 41 17137 1 . PRO 42 42 17137 1 . LEU 43 43 17137 1 . SER 44 44 17137 1 . VAL 45 45 17137 1 . LEU 46 46 17137 1 . GLU 47 47 17137 1 . GLN 48 48 17137 1 . SER 49 49 17137 1 . GLY 50 50 17137 1 . LEU 51 51 17137 1 . PRO 52 52 17137 1 . ALA 53 53 17137 1 . LYS 54 54 17137 1 . LEU 55 55 17137 1 . ARG 56 56 17137 1 . HIS 57 57 17137 1 . GLU 58 58 17137 1 . GLN 59 59 17137 1 . ILE 60 60 17137 1 . ILE 61 61 17137 1 . PHE 62 62 17137 1 . HIS 63 63 17137 1 . CYS 64 64 17137 1 . GLN 65 65 17137 1 . ALA 66 66 17137 1 . GLY 67 67 17137 1 . LYS 68 68 17137 1 . ARG 69 69 17137 1 . THR 70 70 17137 1 . SER 71 71 17137 1 . ASN 72 72 17137 1 . ASN 73 73 17137 1 . ALA 74 74 17137 1 . ASP 75 75 17137 1 . LYS 76 76 17137 1 . LEU 77 77 17137 1 . ALA 78 78 17137 1 . ALA 79 79 17137 1 . ILE 80 80 17137 1 . ALA 81 81 17137 1 . ALA 82 82 17137 1 . PRO 83 83 17137 1 . ALA 84 84 17137 1 . GLU 85 85 17137 1 . ILE 86 86 17137 1 . PHE 87 87 17137 1 . LEU 88 88 17137 1 . LEU 89 89 17137 1 . GLU 90 90 17137 1 . ASP 91 91 17137 1 . GLY 92 92 17137 1 . ILE 93 93 17137 1 . ASP 94 94 17137 1 . GLY 95 95 17137 1 . TRP 96 96 17137 1 . LYS 97 97 17137 1 . ARG 98 98 17137 1 . ALA 99 99 17137 1 . GLY 100 100 17137 1 . LEU 101 101 17137 1 . PRO 102 102 17137 1 . VAL 103 103 17137 1 . ALA 104 104 17137 1 . VAL 105 105 17137 1 . ASN 106 106 17137 1 . LYS 107 107 17137 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 17137 _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 $YgaP . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17137 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 17137 _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 $YgaP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28 . . . . . . 17137 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17137 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YgaP 'natural abundance' . . 1 $YgaP . . 1 . . mM . . . . 17137 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17137 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17137 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17137 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17137 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 17137 1 pH 7.2 . pH 17137 1 pressure 1 . atm 17137 1 temperature 298 . K 17137 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17137 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17137 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17137 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17137 _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_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17137 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17137 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17137 1 2 spectrometer_2 Bruker Avance . 800 . . . 17137 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17137 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17137 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17137 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17137 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17137 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17137 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17137 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17137 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17137 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17137 _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' . . . . MHz 150.9023969 internal indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 17137 1 H 1 DSS 'methyl protons' . . . . MHz 600.1299622 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 17137 1 N 15 DSS 'methyl protons' . . . . MHz 60.8106398 internal indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17137 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17137 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17137 1 2 '3D HNCACB' . . . 17137 1 3 '3D CBCA(CO)NH' . . . 17137 1 4 '3D C(CO)NH' . . . 17137 1 5 '3D H(CCO)NH' . . . 17137 1 7 '3D 1H-15N NOESY' . . . 17137 1 8 '3D 1H-13C NOESY' . . . 17137 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 MET H H 1 8.382 0.03 . 1 . . . . 1 M H . 17137 1 2 . 1 1 1 1 MET HA H 1 4.404 0.03 . 1 . . . . 1 M HA . 17137 1 3 . 1 1 1 1 MET HB2 H 1 1.939 0.03 . 2 . . . . 1 M HB1 . 17137 1 4 . 1 1 1 1 MET HB3 H 1 2.022 0.03 . 2 . . . . 1 M HB2 . 17137 1 5 . 1 1 1 1 MET HG2 H 1 2.454 0.03 . 2 . . . . 1 M HG1 . 17137 1 6 . 1 1 1 1 MET HG3 H 1 2.512 0.03 . 2 . . . . 1 M HG2 . 17137 1 7 . 1 1 1 1 MET C C 13 175.277 0.3 . 1 . . . . 1 M C . 17137 1 8 . 1 1 1 1 MET CA C 13 55.420 0.3 . 1 . . . . 1 M CA . 17137 1 9 . 1 1 1 1 MET CB C 13 32.882 0.3 . 1 . . . . 1 M CB . 17137 1 10 . 1 1 1 1 MET CG C 13 32.035 0.3 . 1 . . . . 1 M CG . 17137 1 11 . 1 1 1 1 MET N N 15 122.201 0.3 . 1 . . . . 1 M N . 17137 1 12 . 1 1 2 2 ALA H H 1 8.358 0.03 . 1 . . . . 2 A HN . 17137 1 13 . 1 1 2 2 ALA HA H 1 4.299 0.03 . 1 . . . . 2 A HA . 17137 1 14 . 1 1 2 2 ALA HB1 H 1 1.349 0.03 . 1 . . . . 2 A HB1 . 17137 1 15 . 1 1 2 2 ALA HB2 H 1 1.349 0.03 . 1 . . . . 2 A HB1 . 17137 1 16 . 1 1 2 2 ALA HB3 H 1 1.349 0.03 . 1 . . . . 2 A HB1 . 17137 1 17 . 1 1 2 2 ALA C C 13 176.696 0.3 . 1 . . . . 2 A C . 17137 1 18 . 1 1 2 2 ALA CA C 13 52.420 0.3 . 1 . . . . 2 A CA . 17137 1 19 . 1 1 2 2 ALA CB C 13 19.236 0.3 . 1 . . . . 2 A CB . 17137 1 20 . 1 1 2 2 ALA N N 15 125.390 0.3 . 1 . . . . 2 A N . 17137 1 21 . 1 1 3 3 LEU H H 1 8.096 0.03 . 1 . . . . 3 L HN . 17137 1 22 . 1 1 3 3 LEU HA H 1 4.463 0.03 . 1 . . . . 3 L HA . 17137 1 23 . 1 1 3 3 LEU HB2 H 1 1.464 0.03 . 2 . . . . 3 L HB1 . 17137 1 24 . 1 1 3 3 LEU HB3 H 1 1.590 0.03 . 2 . . . . 3 L HB2 . 17137 1 25 . 1 1 3 3 LEU HD11 H 1 0.848 0.03 . 2 . . . . 3 L HD11 . 17137 1 26 . 1 1 3 3 LEU HD12 H 1 0.848 0.03 . 2 . . . . 3 L HD11 . 17137 1 27 . 1 1 3 3 LEU HD13 H 1 0.848 0.03 . 2 . . . . 3 L HD11 . 17137 1 28 . 1 1 3 3 LEU HD21 H 1 0.818 0.03 . 2 . . . . 3 L HD21 . 17137 1 29 . 1 1 3 3 LEU HD22 H 1 0.818 0.03 . 2 . . . . 3 L HD21 . 17137 1 30 . 1 1 3 3 LEU HD23 H 1 0.818 0.03 . 2 . . . . 3 L HD21 . 17137 1 31 . 1 1 3 3 LEU HG H 1 1.608 0.03 . 1 . . . . 3 L HG . 17137 1 32 . 1 1 3 3 LEU C C 13 176.510 0.3 . 1 . . . . 3 L C . 17137 1 33 . 1 1 3 3 LEU CA C 13 54.741 0.3 . 1 . . . . 3 L CA . 17137 1 34 . 1 1 3 3 LEU CB C 13 43.070 0.3 . 1 . . . . 3 L CB . 17137 1 35 . 1 1 3 3 LEU CD1 C 13 25.776 0.3 . 1 . . . . 3 L CD1 . 17137 1 36 . 1 1 3 3 LEU CD2 C 13 24.802 0.3 . 1 . . . . 3 L CD2 . 17137 1 37 . 1 1 3 3 LEU CG C 13 27.230 0.3 . 1 . . . . 3 L CG . 17137 1 38 . 1 1 3 3 LEU N N 15 120.700 0.3 . 1 . . . . 3 L N . 17137 1 39 . 1 1 4 4 THR H H 1 8.005 0.03 . 1 . . . . 4 T HN . 17137 1 40 . 1 1 4 4 THR HA H 1 4.482 0.03 . 1 . . . . 4 T HA . 17137 1 41 . 1 1 4 4 THR HB H 1 4.124 0.03 . 1 . . . . 4 T HB . 17137 1 42 . 1 1 4 4 THR HG21 H 1 1.335 0.03 . 1 . . . . 4 T HG21 . 17137 1 43 . 1 1 4 4 THR HG22 H 1 1.335 0.03 . 1 . . . . 4 T HG21 . 17137 1 44 . 1 1 4 4 THR HG23 H 1 1.335 0.03 . 1 . . . . 4 T HG21 . 17137 1 45 . 1 1 4 4 THR C C 13 173.778 0.3 . 1 . . . . 4 T C . 17137 1 46 . 1 1 4 4 THR CA C 13 62.350 0.3 . 1 . . . . 4 T CA . 17137 1 47 . 1 1 4 4 THR CB C 13 70.580 0.3 . 1 . . . . 4 T CB . 17137 1 48 . 1 1 4 4 THR CG2 C 13 21.713 0.3 . 1 . . . . 4 T CG2 . 17137 1 49 . 1 1 4 4 THR N N 15 118.040 0.3 . 1 . . . . 4 T N . 17137 1 50 . 1 1 5 5 THR H H 1 8.655 0.03 . 1 . . . . 5 T HN . 17137 1 51 . 1 1 5 5 THR HA H 1 5.284 0.03 . 1 . . . . 5 T HA . 17137 1 52 . 1 1 5 5 THR HB H 1 4.156 0.03 . 1 . . . . 5 T HB . 17137 1 53 . 1 1 5 5 THR HG21 H 1 1.239 0.03 . 1 . . . . 5 T HG21 . 17137 1 54 . 1 1 5 5 THR HG22 H 1 1.239 0.03 . 1 . . . . 5 T HG21 . 17137 1 55 . 1 1 5 5 THR HG23 H 1 1.239 0.03 . 1 . . . . 5 T HG21 . 17137 1 56 . 1 1 5 5 THR C C 13 174.000 0.3 . 1 . . . . 5 T C . 17137 1 57 . 1 1 5 5 THR CA C 13 62.110 0.3 . 1 . . . . 5 T CA . 17137 1 58 . 1 1 5 5 THR CB C 13 69.480 0.3 . 1 . . . . 5 T CB . 17137 1 59 . 1 1 5 5 THR CG2 C 13 21.427 0.3 . 1 . . . . 5 T CG2 . 17137 1 60 . 1 1 5 5 THR N N 15 121.720 0.3 . 1 . . . . 5 T N . 17137 1 61 . 1 1 6 6 ILE H H 1 9.000 0.03 . 1 . . . . 6 I HN . 17137 1 62 . 1 1 6 6 ILE HA H 1 4.998 0.03 . 1 . . . . 6 I HA . 17137 1 63 . 1 1 6 6 ILE HB H 1 1.841 0.03 . 1 . . . . 6 I HB . 17137 1 64 . 1 1 6 6 ILE HD11 H 1 0.375 0.03 . 1 . . . . 6 I HD11 . 17137 1 65 . 1 1 6 6 ILE HD12 H 1 0.375 0.03 . 1 . . . . 6 I HD11 . 17137 1 66 . 1 1 6 6 ILE HD13 H 1 0.375 0.03 . 1 . . . . 6 I HD11 . 17137 1 67 . 1 1 6 6 ILE HG12 H 1 1.188 0.03 . 1 . . . . 6 I HG11 . 17137 1 68 . 1 1 6 6 ILE HG13 H 1 1.614 0.03 . 1 . . . . 6 I HG12 . 17137 1 69 . 1 1 6 6 ILE HG21 H 1 0.892 0.03 . 1 . . . . 6 I HG21 . 17137 1 70 . 1 1 6 6 ILE HG22 H 1 0.892 0.03 . 1 . . . . 6 I HG21 . 17137 1 71 . 1 1 6 6 ILE HG23 H 1 0.892 0.03 . 1 . . . . 6 I HG21 . 17137 1 72 . 1 1 6 6 ILE C C 13 173.269 0.3 . 1 . . . . 6 I C . 17137 1 73 . 1 1 6 6 ILE CA C 13 58.480 0.3 . 1 . . . . 6 I CA . 17137 1 74 . 1 1 6 6 ILE CB C 13 42.800 0.3 . 1 . . . . 6 I CB . 17137 1 75 . 1 1 6 6 ILE CD1 C 13 14.554 0.3 . 1 . . . . 6 I CD1 . 17137 1 76 . 1 1 6 6 ILE CG1 C 13 27.228 0.3 . 1 . . . . 6 I CG1 . 17137 1 77 . 1 1 6 6 ILE CG2 C 13 17.904 0.3 . 1 . . . . 6 I CG2 . 17137 1 78 . 1 1 6 6 ILE N N 15 122.170 0.3 . 1 . . . . 6 I N . 17137 1 79 . 1 1 7 7 SER H H 1 9.250 0.03 . 1 . . . . 7 S HN . 17137 1 80 . 1 1 7 7 SER HA H 1 4.778 0.03 . 1 . . . . 7 S HA . 17137 1 81 . 1 1 7 7 SER HB2 H 1 4.089 0.03 . 2 . . . . 7 S HB1 . 17137 1 82 . 1 1 7 7 SER HB3 H 1 4.344 0.03 . 2 . . . . 7 S HB2 . 17137 1 83 . 1 1 7 7 SER CA C 13 57.014 0.3 . 1 . . . . 7 S CA . 17137 1 84 . 1 1 7 7 SER CB C 13 63.330 0.3 . 1 . . . . 7 S CB . 17137 1 85 . 1 1 7 7 SER N N 15 122.640 0.3 . 1 . . . . 7 S N . 17137 1 86 . 1 1 8 8 PRO HA H 1 4.217 0.03 . 1 . . . . 8 P HA . 17137 1 87 . 1 1 8 8 PRO HB2 H 1 1.528 0.03 . 2 . . . . 8 P HB1 . 17137 1 88 . 1 1 8 8 PRO HB3 H 1 2.120 0.03 . 2 . . . . 8 P HB2 . 17137 1 89 . 1 1 8 8 PRO HD2 H 1 3.928 0.03 . 2 . . . . 8 P HD1 . 17137 1 90 . 1 1 8 8 PRO HD3 H 1 3.982 0.03 . 2 . . . . 8 P HD2 . 17137 1 91 . 1 1 8 8 PRO HG2 H 1 1.928 0.03 . 2 . . . . 8 P HG1 . 17137 1 92 . 1 1 8 8 PRO HG3 H 1 2.053 0.03 . 2 . . . . 8 P HG2 . 17137 1 93 . 1 1 8 8 PRO C C 13 176.643 0.3 . 1 . . . . 8 P C . 17137 1 94 . 1 1 8 8 PRO CA C 13 66.467 0.3 . 1 . . . . 8 P CA . 17137 1 95 . 1 1 8 8 PRO CB C 13 32.580 0.3 . 1 . . . . 8 P CB . 17137 1 96 . 1 1 8 8 PRO CD C 13 50.444 0.3 . 1 . . . . 8 P CD . 17137 1 97 . 1 1 8 8 PRO CG C 13 27.154 0.3 . 1 . . . . 8 P CG . 17137 1 98 . 1 1 9 9 HIS H H 1 8.230 0.03 . 1 . . . . 9 H HN . 17137 1 99 . 1 1 9 9 HIS HA H 1 4.021 0.03 . 1 . . . . 9 H HA . 17137 1 100 . 1 1 9 9 HIS HB2 H 1 2.979 0.03 . 2 . . . . 9 H HB1 . 17137 1 101 . 1 1 9 9 HIS HB3 H 1 3.051 0.03 . 2 . . . . 9 H HB2 . 17137 1 102 . 1 1 9 9 HIS HD2 H 1 7.157 0.03 . 1 . . . . 9 H HD2 . 17137 1 103 . 1 1 9 9 HIS C C 13 178.043 0.3 . 1 . . . . 9 H C . 17137 1 104 . 1 1 9 9 HIS CA C 13 60.650 0.3 . 1 . . . . 9 H CA . 17137 1 105 . 1 1 9 9 HIS CB C 13 29.310 0.3 . 1 . . . . 9 H CB . 17137 1 106 . 1 1 9 9 HIS CD2 C 13 119.077 0.3 . 1 . . . . 9 H CD2 . 17137 1 107 . 1 1 9 9 HIS N N 15 113.730 0.3 . 1 . . . . 9 H N . 17137 1 108 . 1 1 10 10 ASP H H 1 7.724 0.03 . 1 . . . . 10 D HN . 17137 1 109 . 1 1 10 10 ASP HA H 1 4.372 0.03 . 1 . . . . 10 D HA . 17137 1 110 . 1 1 10 10 ASP HB2 H 1 2.508 0.03 . 2 . . . . 10 D HB1 . 17137 1 111 . 1 1 10 10 ASP HB3 H 1 2.858 0.03 . 2 . . . . 10 D HB2 . 17137 1 112 . 1 1 10 10 ASP C C 13 179.079 0.3 . 1 . . . . 10 D C . 17137 1 113 . 1 1 10 10 ASP CA C 13 57.250 0.3 . 1 . . . . 10 D CA . 17137 1 114 . 1 1 10 10 ASP CB C 13 39.340 0.3 . 1 . . . . 10 D CB . 17137 1 115 . 1 1 10 10 ASP N N 15 120.710 0.3 . 1 . . . . 10 D N . 17137 1 116 . 1 1 11 11 ALA H H 1 8.910 0.03 . 1 . . . . 11 A HN . 17137 1 117 . 1 1 11 11 ALA HA H 1 3.799 0.03 . 1 . . . . 11 A HA . 17137 1 118 . 1 1 11 11 ALA HB1 H 1 1.528 0.03 . 1 . . . . 11 A HB1 . 17137 1 119 . 1 1 11 11 ALA HB2 H 1 1.528 0.03 . 1 . . . . 11 A HB1 . 17137 1 120 . 1 1 11 11 ALA HB3 H 1 1.528 0.03 . 1 . . . . 11 A HB1 . 17137 1 121 . 1 1 11 11 ALA C C 13 178.196 0.3 . 1 . . . . 11 A C . 17137 1 122 . 1 1 11 11 ALA CA C 13 55.080 0.3 . 1 . . . . 11 A CA . 17137 1 123 . 1 1 11 11 ALA CB C 13 18.210 0.3 . 1 . . . . 11 A CB . 17137 1 124 . 1 1 11 11 ALA N N 15 123.680 0.3 . 1 . . . . 11 A N . 17137 1 125 . 1 1 12 12 GLN H H 1 8.443 0.03 . 1 . . . . 12 Q HN . 17137 1 126 . 1 1 12 12 GLN HA H 1 4.007 0.03 . 1 . . . . 12 Q HA . 17137 1 127 . 1 1 12 12 GLN HB2 H 1 2.043 0.03 . 2 . . . . 12 Q HB1 . 17137 1 128 . 1 1 12 12 GLN HB3 H 1 2.121 0.03 . 2 . . . . 12 Q HB2 . 17137 1 129 . 1 1 12 12 GLN HE21 H 1 7.591 0.03 . 2 . . . . 12 Q HE21 . 17137 1 130 . 1 1 12 12 GLN HE22 H 1 6.616 0.03 . 2 . . . . 12 Q HE22 . 17137 1 131 . 1 1 12 12 GLN HG2 H 1 2.247 0.03 . 2 . . . . 12 Q HG1 . 17137 1 132 . 1 1 12 12 GLN HG3 H 1 2.375 0.03 . 2 . . . . 12 Q HG2 . 17137 1 133 . 1 1 12 12 GLN C C 13 178.463 0.3 . 1 . . . . 12 Q C . 17137 1 134 . 1 1 12 12 GLN CA C 13 60.150 0.3 . 1 . . . . 12 Q CA . 17137 1 135 . 1 1 12 12 GLN CB C 13 28.900 0.3 . 1 . . . . 12 Q CB . 17137 1 136 . 1 1 12 12 GLN CG C 13 34.504 0.3 . 1 . . . . 12 Q CG . 17137 1 137 . 1 1 12 12 GLN N N 15 117.550 0.3 . 1 . . . . 12 Q N . 17137 1 138 . 1 1 12 12 GLN NE2 N 15 111.750 0.3 . 1 . . . . 12 Q NE2 . 17137 1 139 . 1 1 13 13 GLU H H 1 7.251 0.03 . 1 . . . . 13 E HN . 17137 1 140 . 1 1 13 13 GLU HA H 1 4.063 0.03 . 1 . . . . 13 E HA . 17137 1 141 . 1 1 13 13 GLU HB2 H 1 2.043 0.03 . 2 . . . . 13 E HB1 . 17137 1 142 . 1 1 13 13 GLU HB3 H 1 2.043 0.03 . 2 . . . . 13 E HB2 . 17137 1 143 . 1 1 13 13 GLU HG2 H 1 2.183 0.03 . 2 . . . . 13 E HG1 . 17137 1 144 . 1 1 13 13 GLU HG3 H 1 2.286 0.03 . 2 . . . . 13 E HG2 . 17137 1 145 . 1 1 13 13 GLU C C 13 178.303 0.3 . 1 . . . . 13 E C . 17137 1 146 . 1 1 13 13 GLU CA C 13 59.230 0.3 . 1 . . . . 13 E CA . 17137 1 147 . 1 1 13 13 GLU CB C 13 28.980 0.3 . 1 . . . . 13 E CB . 17137 1 148 . 1 1 13 13 GLU CG C 13 35.944 0.3 . 1 . . . . 13 E CG . 17137 1 149 . 1 1 13 13 GLU N N 15 118.630 0.3 . 1 . . . . 13 E N . 17137 1 150 . 1 1 14 14 LEU H H 1 7.618 0.03 . 1 . . . . 14 L HN . 17137 1 151 . 1 1 14 14 LEU HA H 1 3.899 0.03 . 1 . . . . 14 L HA . 17137 1 152 . 1 1 14 14 LEU HB2 H 1 1.146 0.03 . 2 . . . . 14 L HB1 . 17137 1 153 . 1 1 14 14 LEU HB3 H 1 1.541 0.03 . 2 . . . . 14 L HB2 . 17137 1 154 . 1 1 14 14 LEU HD11 H 1 0.166 0.03 . 2 . . . . 14 L HD11 . 17137 1 155 . 1 1 14 14 LEU HD12 H 1 0.166 0.03 . 2 . . . . 14 L HD11 . 17137 1 156 . 1 1 14 14 LEU HD13 H 1 0.166 0.03 . 2 . . . . 14 L HD11 . 17137 1 157 . 1 1 14 14 LEU HD21 H 1 0.386 0.03 . 2 . . . . 14 L HD21 . 17137 1 158 . 1 1 14 14 LEU HD22 H 1 0.386 0.03 . 2 . . . . 14 L HD21 . 17137 1 159 . 1 1 14 14 LEU HD23 H 1 0.386 0.03 . 2 . . . . 14 L HD21 . 17137 1 160 . 1 1 14 14 LEU HG H 1 1.431 0.03 . 1 . . . . 14 L HG . 17137 1 161 . 1 1 14 14 LEU C C 13 180.718 0.3 . 1 . . . . 14 L C . 17137 1 162 . 1 1 14 14 LEU CA C 13 57.990 0.3 . 1 . . . . 14 L CA . 17137 1 163 . 1 1 14 14 LEU CB C 13 41.530 0.3 . 1 . . . . 14 L CB . 17137 1 164 . 1 1 14 14 LEU CD1 C 13 24.481 0.3 . 1 . . . . 14 L CD1 . 17137 1 165 . 1 1 14 14 LEU CD2 C 13 23.049 0.3 . 1 . . . . 14 L CD2 . 17137 1 166 . 1 1 14 14 LEU CG C 13 26.867 0.3 . 1 . . . . 14 L CG . 17137 1 167 . 1 1 14 14 LEU N N 15 119.930 0.3 . 1 . . . . 14 L N . 17137 1 168 . 1 1 15 15 ILE H H 1 8.787 0.03 . 1 . . . . 15 I HN . 17137 1 169 . 1 1 15 15 ILE HA H 1 3.936 0.03 . 1 . . . . 15 I HA . 17137 1 170 . 1 1 15 15 ILE HB H 1 1.814 0.03 . 1 . . . . 15 I HB . 17137 1 171 . 1 1 15 15 ILE HD11 H 1 0.763 0.03 . 1 . . . . 15 I HD11 . 17137 1 172 . 1 1 15 15 ILE HD12 H 1 0.763 0.03 . 1 . . . . 15 I HD11 . 17137 1 173 . 1 1 15 15 ILE HD13 H 1 0.763 0.03 . 1 . . . . 15 I HD11 . 17137 1 174 . 1 1 15 15 ILE HG12 H 1 0.766 0.03 . 1 . . . . 15 I HG11 . 17137 1 175 . 1 1 15 15 ILE HG13 H 1 1.602 0.03 . 1 . . . . 15 I HG12 . 17137 1 176 . 1 1 15 15 ILE HG21 H 1 0.907 0.03 . 1 . . . . 15 I HG21 . 17137 1 177 . 1 1 15 15 ILE HG22 H 1 0.907 0.03 . 1 . . . . 15 I HG21 . 17137 1 178 . 1 1 15 15 ILE HG23 H 1 0.907 0.03 . 1 . . . . 15 I HG21 . 17137 1 179 . 1 1 15 15 ILE C C 13 180.043 0.3 . 1 . . . . 15 I C . 17137 1 180 . 1 1 15 15 ILE CA C 13 64.530 0.3 . 1 . . . . 15 I CA . 17137 1 181 . 1 1 15 15 ILE CB C 13 38.820 0.3 . 1 . . . . 15 I CB . 17137 1 182 . 1 1 15 15 ILE CD1 C 13 15.631 0.3 . 1 . . . . 15 I CD1 . 17137 1 183 . 1 1 15 15 ILE CG1 C 13 28.656 0.3 . 1 . . . . 15 I CG1 . 17137 1 184 . 1 1 15 15 ILE CG2 C 13 16.800 0.3 . 1 . . . . 15 I CG2 . 17137 1 185 . 1 1 15 15 ILE N N 15 122.390 0.3 . 1 . . . . 15 I N . 17137 1 186 . 1 1 16 16 ALA H H 1 7.829 0.03 . 1 . . . . 16 A HN . 17137 1 187 . 1 1 16 16 ALA HA H 1 4.200 0.03 . 1 . . . . 16 A HA . 17137 1 188 . 1 1 16 16 ALA HB1 H 1 1.535 0.03 . 1 . . . . 16 A HB1 . 17137 1 189 . 1 1 16 16 ALA HB2 H 1 1.535 0.03 . 1 . . . . 16 A HB1 . 17137 1 190 . 1 1 16 16 ALA HB3 H 1 1.535 0.03 . 1 . . . . 16 A HB1 . 17137 1 191 . 1 1 16 16 ALA C C 13 179.129 0.3 . 1 . . . . 16 A C . 17137 1 192 . 1 1 16 16 ALA CA C 13 54.840 0.3 . 1 . . . . 16 A CA . 17137 1 193 . 1 1 16 16 ALA CB C 13 17.550 0.3 . 1 . . . . 16 A CB . 17137 1 194 . 1 1 16 16 ALA N N 15 123.920 0.3 . 1 . . . . 16 A N . 17137 1 195 . 1 1 17 17 ARG H H 1 7.309 0.03 . 1 . . . . 17 R HN . 17137 1 196 . 1 1 17 17 ARG HA H 1 4.416 0.03 . 1 . . . . 17 R HA . 17137 1 197 . 1 1 17 17 ARG HB2 H 1 1.858 0.03 . 2 . . . . 17 R HB1 . 17137 1 198 . 1 1 17 17 ARG HB3 H 1 2.177 0.03 . 2 . . . . 17 R HB2 . 17137 1 199 . 1 1 17 17 ARG HD2 H 1 3.146 0.03 . 2 . . . . 17 R HD1 . 17137 1 200 . 1 1 17 17 ARG HD3 H 1 3.199 0.03 . 2 . . . . 17 R HD2 . 17137 1 201 . 1 1 17 17 ARG HG2 H 1 1.704 0.03 . 2 . . . . 17 R HG1 . 17137 1 202 . 1 1 17 17 ARG HG3 H 1 1.840 0.03 . 2 . . . . 17 R HG2 . 17137 1 203 . 1 1 17 17 ARG C C 13 176.375 0.3 . 1 . . . . 17 R C . 17137 1 204 . 1 1 17 17 ARG CA C 13 56.050 0.3 . 1 . . . . 17 R CA . 17137 1 205 . 1 1 17 17 ARG CB C 13 30.600 0.3 . 1 . . . . 17 R CB . 17137 1 206 . 1 1 17 17 ARG CD C 13 43.662 0.3 . 1 . . . . 17 R CD . 17137 1 207 . 1 1 17 17 ARG CG C 13 27.536 0.3 . 1 . . . . 17 R CG . 17137 1 208 . 1 1 17 17 ARG N N 15 115.300 0.3 . 1 . . . . 17 R N . 17137 1 209 . 1 1 18 18 GLY H H 1 7.820 0.03 . 1 . . . . 18 G HN . 17137 1 210 . 1 1 18 18 GLY HA2 H 1 3.640 0.03 . 2 . . . . 18 G HA1 . 17137 1 211 . 1 1 18 18 GLY HA3 H 1 4.520 0.03 . 2 . . . . 18 G HA2 . 17137 1 212 . 1 1 18 18 GLY C C 13 173.938 0.3 . 1 . . . . 18 G C . 17137 1 213 . 1 1 18 18 GLY CA C 13 45.250 0.3 . 1 . . . . 18 G CA . 17137 1 214 . 1 1 18 18 GLY N N 15 107.450 0.3 . 1 . . . . 18 G N . 17137 1 215 . 1 1 19 19 ALA H H 1 7.995 0.03 . 1 . . . . 19 A HN . 17137 1 216 . 1 1 19 19 ALA HA H 1 4.236 0.03 . 1 . . . . 19 A HA . 17137 1 217 . 1 1 19 19 ALA HB1 H 1 0.907 0.03 . 1 . . . . 19 A HB1 . 17137 1 218 . 1 1 19 19 ALA HB2 H 1 0.907 0.03 . 1 . . . . 19 A HB1 . 17137 1 219 . 1 1 19 19 ALA HB3 H 1 0.907 0.03 . 1 . . . . 19 A HB1 . 17137 1 220 . 1 1 19 19 ALA C C 13 176.161 0.3 . 1 . . . . 19 A C . 17137 1 221 . 1 1 19 19 ALA CA C 13 52.660 0.3 . 1 . . . . 19 A CA . 17137 1 222 . 1 1 19 19 ALA CB C 13 19.320 0.3 . 1 . . . . 19 A CB . 17137 1 223 . 1 1 19 19 ALA N N 15 123.190 0.3 . 1 . . . . 19 A N . 17137 1 224 . 1 1 20 20 LYS H H 1 7.611 0.03 . 1 . . . . 20 K HN . 17137 1 225 . 1 1 20 20 LYS HA H 1 4.320 0.03 . 1 . . . . 20 K HA . 17137 1 226 . 1 1 20 20 LYS HB2 H 1 1.463 0.03 . 2 . . . . 20 K HB1 . 17137 1 227 . 1 1 20 20 LYS HB3 H 1 1.620 0.03 . 2 . . . . 20 K HB2 . 17137 1 228 . 1 1 20 20 LYS HD2 H 1 1.569 0.03 . 2 . . . . 20 K HD1 . 17137 1 229 . 1 1 20 20 LYS HD3 H 1 1.569 0.03 . 2 . . . . 20 K HD2 . 17137 1 230 . 1 1 20 20 LYS HE2 H 1 2.681 0.03 . 2 . . . . 20 K HE1 . 17137 1 231 . 1 1 20 20 LYS HE3 H 1 2.832 0.03 . 2 . . . . 20 K HE2 . 17137 1 232 . 1 1 20 20 LYS HG2 H 1 1.298 0.03 . 2 . . . . 20 K HG1 . 17137 1 233 . 1 1 20 20 LYS HG3 H 1 1.298 0.03 . 2 . . . . 20 K HG2 . 17137 1 234 . 1 1 20 20 LYS C C 13 173.858 0.3 . 1 . . . . 20 K C . 17137 1 235 . 1 1 20 20 LYS CA C 13 53.810 0.3 . 1 . . . . 20 K CA . 17137 1 236 . 1 1 20 20 LYS CB C 13 33.440 0.3 . 1 . . . . 20 K CB . 17137 1 237 . 1 1 20 20 LYS CD C 13 27.726 0.3 . 1 . . . . 20 K CD . 17137 1 238 . 1 1 20 20 LYS CE C 13 41.862 0.3 . 1 . . . . 20 K CE . 17137 1 239 . 1 1 20 20 LYS CG C 13 23.813 0.3 . 1 . . . . 20 K CG . 17137 1 240 . 1 1 20 20 LYS N N 15 118.650 0.3 . 1 . . . . 20 K N . 17137 1 241 . 1 1 21 21 LEU H H 1 8.822 0.03 . 1 . . . . 21 L HN . 17137 1 242 . 1 1 21 21 LEU HA H 1 5.157 0.03 . 1 . . . . 21 L HA . 17137 1 243 . 1 1 21 21 LEU HB2 H 1 1.017 0.03 . 2 . . . . 21 L HB1 . 17137 1 244 . 1 1 21 21 LEU HB3 H 1 1.678 0.03 . 2 . . . . 21 L HB2 . 17137 1 245 . 1 1 21 21 LEU HD11 H 1 0.412 0.03 . 2 . . . . 21 L HD11 . 17137 1 246 . 1 1 21 21 LEU HD12 H 1 0.412 0.03 . 2 . . . . 21 L HD11 . 17137 1 247 . 1 1 21 21 LEU HD13 H 1 0.412 0.03 . 2 . . . . 21 L HD11 . 17137 1 248 . 1 1 21 21 LEU HD21 H 1 0.690 0.03 . 2 . . . . 21 L HD21 . 17137 1 249 . 1 1 21 21 LEU HD22 H 1 0.690 0.03 . 2 . . . . 21 L HD21 . 17137 1 250 . 1 1 21 21 LEU HD23 H 1 0.690 0.03 . 2 . . . . 21 L HD21 . 17137 1 251 . 1 1 21 21 LEU HG H 1 1.320 0.03 . 1 . . . . 21 L HG . 17137 1 252 . 1 1 21 21 LEU C C 13 173.992 0.3 . 1 . . . . 21 L C . 17137 1 253 . 1 1 21 21 LEU CA C 13 53.180 0.3 . 1 . . . . 21 L CA . 17137 1 254 . 1 1 21 21 LEU CB C 13 44.360 0.3 . 1 . . . . 21 L CB . 17137 1 255 . 1 1 21 21 LEU CD1 C 13 27.003 0.3 . 1 . . . . 21 L CD1 . 17137 1 256 . 1 1 21 21 LEU CD2 C 13 23.386 0.3 . 1 . . . . 21 L CD2 . 17137 1 257 . 1 1 21 21 LEU CG C 13 26.987 0.3 . 1 . . . . 21 L CG . 17137 1 258 . 1 1 21 21 LEU N N 15 126.660 0.3 . 1 . . . . 21 L N . 17137 1 259 . 1 1 22 22 ILE H H 1 9.431 0.03 . 1 . . . . 22 I HN . 17137 1 260 . 1 1 22 22 ILE HA H 1 4.676 0.03 . 1 . . . . 22 I HA . 17137 1 261 . 1 1 22 22 ILE HB H 1 1.627 0.03 . 1 . . . . 22 I HB . 17137 1 262 . 1 1 22 22 ILE HD11 H 1 0.671 0.03 . 1 . . . . 22 I HD11 . 17137 1 263 . 1 1 22 22 ILE HD12 H 1 0.671 0.03 . 1 . . . . 22 I HD11 . 17137 1 264 . 1 1 22 22 ILE HD13 H 1 0.671 0.03 . 1 . . . . 22 I HD11 . 17137 1 265 . 1 1 22 22 ILE HG12 H 1 0.804 0.03 . 1 . . . . 22 I HG11 . 17137 1 266 . 1 1 22 22 ILE HG13 H 1 1.256 0.03 . 1 . . . . 22 I HG12 . 17137 1 267 . 1 1 22 22 ILE HG21 H 1 0.842 0.03 . 1 . . . . 22 I HG21 . 17137 1 268 . 1 1 22 22 ILE HG22 H 1 0.842 0.03 . 1 . . . . 22 I HG21 . 17137 1 269 . 1 1 22 22 ILE HG23 H 1 0.842 0.03 . 1 . . . . 22 I HG21 . 17137 1 270 . 1 1 22 22 ILE C C 13 173.082 0.3 . 1 . . . . 22 I C . 17137 1 271 . 1 1 22 22 ILE CA C 13 60.170 0.3 . 1 . . . . 22 I CA . 17137 1 272 . 1 1 22 22 ILE CB C 13 39.760 0.3 . 1 . . . . 22 I CB . 17137 1 273 . 1 1 22 22 ILE CD1 C 13 14.363 0.3 . 1 . . . . 22 I CD1 . 17137 1 274 . 1 1 22 22 ILE CG1 C 13 27.415 0.3 . 1 . . . . 22 I CG1 . 17137 1 275 . 1 1 22 22 ILE CG2 C 13 18.517 0.3 . 1 . . . . 22 I CG2 . 17137 1 276 . 1 1 22 22 ILE N N 15 127.570 0.3 . 1 . . . . 22 I N . 17137 1 277 . 1 1 23 23 ASP H H 1 8.644 0.03 . 1 . . . . 23 D HN . 17137 1 278 . 1 1 23 23 ASP HA H 1 3.825 0.03 . 1 . . . . 23 D HA . 17137 1 279 . 1 1 23 23 ASP HB2 H 1 2.488 0.03 . 2 . . . . 23 D HB1 . 17137 1 280 . 1 1 23 23 ASP HB3 H 1 2.757 0.03 . 2 . . . . 23 D HB2 . 17137 1 281 . 1 1 23 23 ASP C C 13 175.973 0.3 . 1 . . . . 23 D C . 17137 1 282 . 1 1 23 23 ASP CA C 13 51.980 0.3 . 1 . . . . 23 D CA . 17137 1 283 . 1 1 23 23 ASP CB C 13 42.970 0.3 . 1 . . . . 23 D CB . 17137 1 284 . 1 1 23 23 ASP N N 15 129.260 0.3 . 1 . . . . 23 D N . 17137 1 285 . 1 1 24 24 ILE H H 1 7.904 0.03 . 1 . . . . 24 I HN . 17137 1 286 . 1 1 24 24 ILE HA H 1 5.266 0.03 . 1 . . . . 24 I HA . 17137 1 287 . 1 1 24 24 ILE HB H 1 2.067 0.03 . 1 . . . . 24 I HB . 17137 1 288 . 1 1 24 24 ILE HD11 H 1 0.656 0.03 . 1 . . . . 24 I HD11 . 17137 1 289 . 1 1 24 24 ILE HD12 H 1 0.656 0.03 . 1 . . . . 24 I HD11 . 17137 1 290 . 1 1 24 24 ILE HD13 H 1 0.656 0.03 . 1 . . . . 24 I HD11 . 17137 1 291 . 1 1 24 24 ILE HG12 H 1 1.103 0.03 . 1 . . . . 24 I HG11 . 17137 1 292 . 1 1 24 24 ILE HG13 H 1 1.103 0.03 . 1 . . . . 24 I HG12 . 17137 1 293 . 1 1 24 24 ILE HG21 H 1 1.005 0.03 . 1 . . . . 24 I HG21 . 17137 1 294 . 1 1 24 24 ILE HG22 H 1 1.005 0.03 . 1 . . . . 24 I HG21 . 17137 1 295 . 1 1 24 24 ILE HG23 H 1 1.005 0.03 . 1 . . . . 24 I HG21 . 17137 1 296 . 1 1 24 24 ILE C C 13 178.678 0.3 . 1 . . . . 24 I C . 17137 1 297 . 1 1 24 24 ILE CA C 13 60.354 0.3 . 1 . . . . 24 I CA . 17137 1 298 . 1 1 24 24 ILE CB C 13 37.970 0.3 . 1 . . . . 24 I CB . 17137 1 299 . 1 1 24 24 ILE CD1 C 13 16.086 0.3 . 1 . . . . 24 I CD1 . 17137 1 300 . 1 1 24 24 ILE CG1 C 13 26.092 0.3 . 1 . . . . 24 I CG1 . 17137 1 301 . 1 1 24 24 ILE CG2 C 13 18.277 0.3 . 1 . . . . 24 I CG2 . 17137 1 302 . 1 1 24 24 ILE N N 15 115.580 0.3 . 1 . . . . 24 I N . 17137 1 303 . 1 1 25 25 ARG H H 1 8.249 0.03 . 1 . . . . 25 R HN . 17137 1 304 . 1 1 25 25 ARG HA H 1 4.190 0.03 . 1 . . . . 25 R HA . 17137 1 305 . 1 1 25 25 ARG HB2 H 1 2.047 0.03 . 2 . . . . 25 R HB1 . 17137 1 306 . 1 1 25 25 ARG HB3 H 1 2.218 0.03 . 2 . . . . 25 R HB2 . 17137 1 307 . 1 1 25 25 ARG HD2 H 1 3.283 0.03 . 2 . . . . 25 R HD1 . 17137 1 308 . 1 1 25 25 ARG HD3 H 1 2.925 0.03 . 2 . . . . 25 R HD2 . 17137 1 309 . 1 1 25 25 ARG HG2 H 1 1.831 0.03 . 2 . . . . 25 R HG1 . 17137 1 310 . 1 1 25 25 ARG HG3 H 1 1.908 0.03 . 2 . . . . 25 R HG2 . 17137 1 311 . 1 1 25 25 ARG C C 13 171.636 0.3 . 1 . . . . 25 R C . 17137 1 312 . 1 1 25 25 ARG CA C 13 56.700 0.3 . 1 . . . . 25 R CA . 17137 1 313 . 1 1 25 25 ARG CB C 13 30.810 0.3 . 1 . . . . 25 R CB . 17137 1 314 . 1 1 25 25 ARG CD C 13 44.426 0.3 . 1 . . . . 25 R CD . 17137 1 315 . 1 1 25 25 ARG CG C 13 26.983 0.3 . 1 . . . . 25 R CG . 17137 1 316 . 1 1 25 25 ARG N N 15 124.370 0.3 . 1 . . . . 25 R N . 17137 1 317 . 1 1 26 26 ASP H H 1 7.711 0.03 . 1 . . . . 26 D HN . 17137 1 318 . 1 1 26 26 ASP HA H 1 4.634 0.03 . 1 . . . . 26 D HA . 17137 1 319 . 1 1 26 26 ASP HB2 H 1 2.698 0.03 . 2 . . . . 26 D HB1 . 17137 1 320 . 1 1 26 26 ASP HB3 H 1 2.938 0.03 . 2 . . . . 26 D HB2 . 17137 1 321 . 1 1 26 26 ASP C C 13 177.874 0.3 . 1 . . . . 26 D C . 17137 1 322 . 1 1 26 26 ASP CA C 13 54.330 0.3 . 1 . . . . 26 D CA . 17137 1 323 . 1 1 26 26 ASP CB C 13 41.970 0.3 . 1 . . . . 26 D CB . 17137 1 324 . 1 1 26 26 ASP N N 15 112.110 0.3 . 1 . . . . 26 D N . 17137 1 325 . 1 1 27 27 ALA H H 1 8.820 0.03 . 1 . . . . 27 A HN . 17137 1 326 . 1 1 27 27 ALA HA H 1 3.966 0.03 . 1 . . . . 27 A HA . 17137 1 327 . 1 1 27 27 ALA HB1 H 1 1.394 0.03 . 1 . . . . 27 A HB1 . 17137 1 328 . 1 1 27 27 ALA HB2 H 1 1.394 0.03 . 1 . . . . 27 A HB1 . 17137 1 329 . 1 1 27 27 ALA HB3 H 1 1.394 0.03 . 1 . . . . 27 A HB1 . 17137 1 330 . 1 1 27 27 ALA C C 13 179.293 0.3 . 1 . . . . 27 A C . 17137 1 331 . 1 1 27 27 ALA CA C 13 55.840 0.3 . 1 . . . . 27 A CA . 17137 1 332 . 1 1 27 27 ALA CB C 13 18.410 0.3 . 1 . . . . 27 A CB . 17137 1 333 . 1 1 27 27 ALA N N 15 121.510 0.3 . 1 . . . . 27 A N . 17137 1 334 . 1 1 28 28 ASP H H 1 8.774 0.03 . 1 . . . . 28 D HN . 17137 1 335 . 1 1 28 28 ASP HA H 1 4.323 0.03 . 1 . . . . 28 D HA . 17137 1 336 . 1 1 28 28 ASP HB2 H 1 2.625 0.03 . 2 . . . . 28 D HB1 . 17137 1 337 . 1 1 28 28 ASP HB3 H 1 2.672 0.03 . 2 . . . . 28 D HB2 . 17137 1 338 . 1 1 28 28 ASP C C 13 178.648 0.3 . 1 . . . . 28 D C . 17137 1 339 . 1 1 28 28 ASP CA C 13 57.020 0.3 . 1 . . . . 28 D CA . 17137 1 340 . 1 1 28 28 ASP CB C 13 39.720 0.3 . 1 . . . . 28 D CB . 17137 1 341 . 1 1 28 28 ASP N N 15 114.790 0.3 . 1 . . . . 28 D N . 17137 1 342 . 1 1 29 29 GLU H H 1 7.452 0.03 . 1 . . . . 29 E HN . 17137 1 343 . 1 1 29 29 GLU HA H 1 4.123 0.03 . 1 . . . . 29 E HA . 17137 1 344 . 1 1 29 29 GLU HB2 H 1 2.170 0.03 . 2 . . . . 29 E HB1 . 17137 1 345 . 1 1 29 29 GLU HB3 H 1 2.383 0.03 . 2 . . . . 29 E HB2 . 17137 1 346 . 1 1 29 29 GLU HG2 H 1 2.306 0.03 . 2 . . . . 29 E HG1 . 17137 1 347 . 1 1 29 29 GLU HG3 H 1 2.457 0.03 . 2 . . . . 29 E HG2 . 17137 1 348 . 1 1 29 29 GLU C C 13 178.414 0.3 . 1 . . . . 29 E C . 17137 1 349 . 1 1 29 29 GLU CA C 13 59.000 0.3 . 1 . . . . 29 E CA . 17137 1 350 . 1 1 29 29 GLU CB C 13 29.610 0.3 . 1 . . . . 29 E CB . 17137 1 351 . 1 1 29 29 GLU CG C 13 37.176 0.3 . 1 . . . . 29 E CG . 17137 1 352 . 1 1 29 29 GLU N N 15 119.590 0.3 . 1 . . . . 29 E N . 17137 1 353 . 1 1 30 30 TYR H H 1 7.548 0.03 . 1 . . . . 30 Y HN . 17137 1 354 . 1 1 30 30 TYR HA H 1 4.009 0.03 . 1 . . . . 30 Y HA . 17137 1 355 . 1 1 30 30 TYR HB2 H 1 2.810 0.03 . 2 . . . . 30 Y HB1 . 17137 1 356 . 1 1 30 30 TYR HB3 H 1 2.968 0.03 . 2 . . . . 30 Y HB2 . 17137 1 357 . 1 1 30 30 TYR HD1 H 1 7.315 0.03 . 3 . . . . 30 Y HD1 . 17137 1 358 . 1 1 30 30 TYR HE1 H 1 6.257 0.03 . 3 . . . . 30 Y HE1 . 17137 1 359 . 1 1 30 30 TYR HE2 H 1 6.257 0.03 . 3 . . . . 30 Y HE2 . 17137 1 360 . 1 1 30 30 TYR CA C 13 60.976 0.3 . 1 . . . . 30 Y CA . 17137 1 361 . 1 1 30 30 TYR CB C 13 39.576 0.3 . 1 . . . . 30 Y CB . 17137 1 362 . 1 1 30 30 TYR CD1 C 13 131.870 0.3 . 3 . . . . 30 Y CD1 . 17137 1 363 . 1 1 30 30 TYR CE1 C 13 116.280 0.3 . 3 . . . . 30 Y CE1 . 17137 1 364 . 1 1 30 30 TYR CE2 C 13 117.154 0.3 . 3 . . . . 30 Y CE2 . 17137 1 365 . 1 1 30 30 TYR N N 15 120.640 0.3 . 1 . . . . 30 Y N . 17137 1 366 . 1 1 31 31 LEU H H 1 8.254 0.03 . 1 . . . . 31 L HN . 17137 1 367 . 1 1 31 31 LEU HA H 1 3.928 0.03 . 1 . . . . 31 L HA . 17137 1 368 . 1 1 31 31 LEU HB2 H 1 1.671 0.03 . 2 . . . . 31 L HB1 . 17137 1 369 . 1 1 31 31 LEU HB3 H 1 1.815 0.03 . 2 . . . . 31 L HB2 . 17137 1 370 . 1 1 31 31 LEU HD11 H 1 0.937 0.03 . 2 . . . . 31 L HD11 . 17137 1 371 . 1 1 31 31 LEU HD12 H 1 0.937 0.03 . 2 . . . . 31 L HD11 . 17137 1 372 . 1 1 31 31 LEU HD13 H 1 0.937 0.03 . 2 . . . . 31 L HD11 . 17137 1 373 . 1 1 31 31 LEU HD21 H 1 0.937 0.03 . 2 . . . . 31 L HD21 . 17137 1 374 . 1 1 31 31 LEU HD22 H 1 0.937 0.03 . 2 . . . . 31 L HD21 . 17137 1 375 . 1 1 31 31 LEU HD23 H 1 0.937 0.03 . 2 . . . . 31 L HD21 . 17137 1 376 . 1 1 31 31 LEU HG H 1 1.783 0.03 . 1 . . . . 31 L HG . 17137 1 377 . 1 1 31 31 LEU C C 13 178.785 0.3 . 1 . . . . 31 L C . 17137 1 378 . 1 1 31 31 LEU CA C 13 57.550 0.3 . 1 . . . . 31 L CA . 17137 1 379 . 1 1 31 31 LEU CB C 13 41.960 0.3 . 1 . . . . 31 L CB . 17137 1 380 . 1 1 31 31 LEU CD1 C 13 24.099 0.3 . 1 . . . . 31 L CD1 . 17137 1 381 . 1 1 31 31 LEU CD2 C 13 24.099 0.3 . 1 . . . . 31 L CD2 . 17137 1 382 . 1 1 31 31 LEU CG C 13 27.058 0.3 . 1 . . . . 31 L CG . 17137 1 383 . 1 1 31 31 LEU N N 15 118.310 0.3 . 1 . . . . 31 L N . 17137 1 384 . 1 1 32 32 ARG H H 1 7.149 0.03 . 1 . . . . 32 R HN . 17137 1 385 . 1 1 32 32 ARG HA H 1 4.122 0.03 . 1 . . . . 32 R HA . 17137 1 386 . 1 1 32 32 ARG HB2 H 1 1.954 0.03 . 2 . . . . 32 R HB1 . 17137 1 387 . 1 1 32 32 ARG HB3 H 1 1.954 0.03 . 2 . . . . 32 R HB2 . 17137 1 388 . 1 1 32 32 ARG HD2 H 1 3.276 0.03 . 2 . . . . 32 R HD1 . 17137 1 389 . 1 1 32 32 ARG HD3 H 1 3.276 0.03 . 2 . . . . 32 R HD2 . 17137 1 390 . 1 1 32 32 ARG HG2 H 1 1.651 0.03 . 2 . . . . 32 R HG1 . 17137 1 391 . 1 1 32 32 ARG HG3 H 1 1.651 0.03 . 2 . . . . 32 R HG2 . 17137 1 392 . 1 1 32 32 ARG C C 13 176.937 0.3 . 1 . . . . 32 R C . 17137 1 393 . 1 1 32 32 ARG CA C 13 59.000 0.3 . 1 . . . . 32 R CA . 17137 1 394 . 1 1 32 32 ARG CB C 13 30.860 0.3 . 1 . . . . 32 R CB . 17137 1 395 . 1 1 32 32 ARG CD C 13 43.476 0.3 . 1 . . . . 32 R CD . 17137 1 396 . 1 1 32 32 ARG CG C 13 27.917 0.3 . 1 . . . . 32 R CG . 17137 1 397 . 1 1 32 32 ARG N N 15 117.300 0.3 . 1 . . . . 32 R N . 17137 1 398 . 1 1 33 33 GLU H H 1 7.531 0.03 . 1 . . . . 33 E HN . 17137 1 399 . 1 1 33 33 GLU HA H 1 4.920 0.03 . 1 . . . . 33 E HA . 17137 1 400 . 1 1 33 33 GLU HB2 H 1 2.001 0.03 . 2 . . . . 33 E HB1 . 17137 1 401 . 1 1 33 33 GLU HB3 H 1 2.071 0.03 . 2 . . . . 33 E HB2 . 17137 1 402 . 1 1 33 33 GLU HG2 H 1 1.859 0.03 . 2 . . . . 33 E HG1 . 17137 1 403 . 1 1 33 33 GLU HG3 H 1 1.939 0.03 . 2 . . . . 33 E HG2 . 17137 1 404 . 1 1 33 33 GLU C C 13 173.403 0.3 . 1 . . . . 33 E C . 17137 1 405 . 1 1 33 33 GLU CA C 13 56.310 0.3 . 1 . . . . 33 E CA . 17137 1 406 . 1 1 33 33 GLU CB C 13 32.170 0.3 . 1 . . . . 33 E CB . 17137 1 407 . 1 1 33 33 GLU CG C 13 36.890 0.3 . 1 . . . . 33 E CG . 17137 1 408 . 1 1 33 33 GLU N N 15 117.310 0.3 . 1 . . . . 33 E N . 17137 1 409 . 1 1 34 34 HIS H H 1 8.372 0.03 . 1 . . . . 34 H HN . 17137 1 410 . 1 1 34 34 HIS HA H 1 4.636 0.03 . 1 . . . . 34 H HA . 17137 1 411 . 1 1 34 34 HIS HB2 H 1 2.736 0.03 . 2 . . . . 34 H HB1 . 17137 1 412 . 1 1 34 34 HIS HB3 H 1 2.955 0.03 . 2 . . . . 34 H HB2 . 17137 1 413 . 1 1 34 34 HIS HD2 H 1 7.065 0.03 . 1 . . . . 34 H HD2 . 17137 1 414 . 1 1 34 34 HIS HE1 H 1 7.848 0.03 . 1 . . . . 34 H HE1 . 17137 1 415 . 1 1 34 34 HIS C C 13 171.850 0.3 . 1 . . . . 34 H C . 17137 1 416 . 1 1 34 34 HIS CA C 13 54.330 0.3 . 1 . . . . 34 H CA . 17137 1 417 . 1 1 34 34 HIS CB C 13 30.680 0.3 . 1 . . . . 34 H CB . 17137 1 418 . 1 1 34 34 HIS CD2 C 13 119.123 0.3 . 1 . . . . 34 H CD2 . 17137 1 419 . 1 1 34 34 HIS CE1 C 13 138.936 0.3 . 1 . . . . 34 H CE1 . 17137 1 420 . 1 1 34 34 HIS N N 15 117.860 0.3 . 1 . . . . 34 H N . 17137 1 421 . 1 1 35 35 ILE H H 1 10.046 0.03 . 1 . . . . 35 I HN . 17137 1 422 . 1 1 35 35 ILE HA H 1 3.968 0.03 . 1 . . . . 35 I HA . 17137 1 423 . 1 1 35 35 ILE HB H 1 1.180 0.03 . 1 . . . . 35 I HB . 17137 1 424 . 1 1 35 35 ILE HD11 H 1 -0.879 0.03 . 1 . . . . 35 I HD11 . 17137 1 425 . 1 1 35 35 ILE HD12 H 1 -0.879 0.03 . 1 . . . . 35 I HD11 . 17137 1 426 . 1 1 35 35 ILE HD13 H 1 -0.879 0.03 . 1 . . . . 35 I HD11 . 17137 1 427 . 1 1 35 35 ILE HG12 H 1 -0.589 0.03 . 1 . . . . 35 I HG11 . 17137 1 428 . 1 1 35 35 ILE HG13 H 1 0.952 0.03 . 1 . . . . 35 I HG12 . 17137 1 429 . 1 1 35 35 ILE HG21 H 1 0.130 0.03 . 1 . . . . 35 I HG21 . 17137 1 430 . 1 1 35 35 ILE HG22 H 1 0.130 0.03 . 1 . . . . 35 I HG21 . 17137 1 431 . 1 1 35 35 ILE HG23 H 1 0.130 0.03 . 1 . . . . 35 I HG21 . 17137 1 432 . 1 1 35 35 ILE C C 13 171.841 0.3 . 1 . . . . 35 I C . 17137 1 433 . 1 1 35 35 ILE CA C 13 60.460 0.3 . 1 . . . . 35 I CA . 17137 1 434 . 1 1 35 35 ILE CB C 13 38.680 0.3 . 1 . . . . 35 I CB . 17137 1 435 . 1 1 35 35 ILE CD1 C 13 11.753 0.3 . 1 . . . . 35 I CD1 . 17137 1 436 . 1 1 35 35 ILE CG1 C 13 28.400 0.3 . 1 . . . . 35 I CG1 . 17137 1 437 . 1 1 35 35 ILE CG2 C 13 16.960 0.3 . 1 . . . . 35 I CG2 . 17137 1 438 . 1 1 35 35 ILE N N 15 127.040 0.3 . 1 . . . . 35 I N . 17137 1 439 . 1 1 36 36 PRO HA H 1 4.031 0.03 . 1 . . . . 36 P HA . 17137 1 440 . 1 1 36 36 PRO HB2 H 1 1.985 0.03 . 2 . . . . 36 P HB1 . 17137 1 441 . 1 1 36 36 PRO HB3 H 1 2.331 0.03 . 2 . . . . 36 P HB2 . 17137 1 442 . 1 1 36 36 PRO HD2 H 1 3.808 0.03 . 2 . . . . 36 P HD1 . 17137 1 443 . 1 1 36 36 PRO HD3 H 1 3.982 0.03 . 2 . . . . 36 P HD2 . 17137 1 444 . 1 1 36 36 PRO HG2 H 1 1.680 0.03 . 2 . . . . 36 P HG1 . 17137 1 445 . 1 1 36 36 PRO HG3 H 1 2.144 0.03 . 2 . . . . 36 P HG2 . 17137 1 446 . 1 1 36 36 PRO C C 13 177.259 0.3 . 1 . . . . 36 P C . 17137 1 447 . 1 1 36 36 PRO CA C 13 66.220 0.3 . 1 . . . . 36 P CA . 17137 1 448 . 1 1 36 36 PRO CB C 13 31.580 0.3 . 1 . . . . 36 P CB . 17137 1 449 . 1 1 36 36 PRO CD C 13 51.494 0.3 . 1 . . . . 36 P CD . 17137 1 450 . 1 1 36 36 PRO CG C 13 27.631 0.3 . 1 . . . . 36 P CG . 17137 1 451 . 1 1 37 37 GLU H H 1 8.650 0.03 . 1 . . . . 37 E HN . 17137 1 452 . 1 1 37 37 GLU HA H 1 4.104 0.03 . 1 . . . . 37 E HA . 17137 1 453 . 1 1 37 37 GLU HB2 H 1 1.909 0.03 . 2 . . . . 37 E HB1 . 17137 1 454 . 1 1 37 37 GLU HB3 H 1 2.184 0.03 . 2 . . . . 37 E HB2 . 17137 1 455 . 1 1 37 37 GLU HG2 H 1 2.349 0.03 . 2 . . . . 37 E HG1 . 17137 1 456 . 1 1 37 37 GLU HG3 H 1 2.237 0.03 . 2 . . . . 37 E HG2 . 17137 1 457 . 1 1 37 37 GLU C C 13 176.188 0.3 . 1 . . . . 37 E C . 17137 1 458 . 1 1 37 37 GLU CA C 13 58.520 0.3 . 1 . . . . 37 E CA . 17137 1 459 . 1 1 37 37 GLU CB C 13 28.870 0.3 . 1 . . . . 37 E CB . 17137 1 460 . 1 1 37 37 GLU CG C 13 37.107 0.3 . 1 . . . . 37 E CG . 17137 1 461 . 1 1 37 37 GLU N N 15 113.810 0.3 . 1 . . . . 37 E N . 17137 1 462 . 1 1 38 38 ALA H H 1 8.169 0.03 . 1 . . . . 38 A HN . 17137 1 463 . 1 1 38 38 ALA HA H 1 4.492 0.03 . 1 . . . . 38 A HA . 17137 1 464 . 1 1 38 38 ALA HB1 H 1 1.595 0.03 . 1 . . . . 38 A HB1 . 17137 1 465 . 1 1 38 38 ALA HB2 H 1 1.595 0.03 . 1 . . . . 38 A HB1 . 17137 1 466 . 1 1 38 38 ALA HB3 H 1 1.595 0.03 . 1 . . . . 38 A HB1 . 17137 1 467 . 1 1 38 38 ALA C C 13 177.982 0.3 . 1 . . . . 38 A C . 17137 1 468 . 1 1 38 38 ALA CA C 13 52.310 0.3 . 1 . . . . 38 A CA . 17137 1 469 . 1 1 38 38 ALA CB C 13 21.060 0.3 . 1 . . . . 38 A CB . 17137 1 470 . 1 1 38 38 ALA N N 15 122.320 0.3 . 1 . . . . 38 A N . 17137 1 471 . 1 1 39 39 ASP H H 1 9.102 0.03 . 1 . . . . 39 D HN . 17137 1 472 . 1 1 39 39 ASP HA H 1 4.870 0.03 . 1 . . . . 39 D HA . 17137 1 473 . 1 1 39 39 ASP HB2 H 1 2.359 0.03 . 2 . . . . 39 D HB1 . 17137 1 474 . 1 1 39 39 ASP HB3 H 1 2.417 0.03 . 2 . . . . 39 D HB2 . 17137 1 475 . 1 1 39 39 ASP CA C 13 53.580 0.3 . 1 . . . . 39 D CA . 17137 1 476 . 1 1 39 39 ASP CB C 13 45.150 0.3 . 1 . . . . 39 D CB . 17137 1 477 . 1 1 39 39 ASP N N 15 123.800 0.3 . 1 . . . . 39 D N . 17137 1 478 . 1 1 40 40 LEU H H 1 8.204 0.03 . 1 . . . . 40 L HN . 17137 1 479 . 1 1 40 40 LEU HA H 1 4.345 0.03 . 1 . . . . 40 L HA . 17137 1 480 . 1 1 40 40 LEU HB2 H 1 -0.310 0.03 . 2 . . . . 40 L HB1 . 17137 1 481 . 1 1 40 40 LEU HB3 H 1 1.144 0.03 . 2 . . . . 40 L HB2 . 17137 1 482 . 1 1 40 40 LEU HD11 H 1 0.512 0.03 . 2 . . . . 40 L HD11 . 17137 1 483 . 1 1 40 40 LEU HD12 H 1 0.512 0.03 . 2 . . . . 40 L HD11 . 17137 1 484 . 1 1 40 40 LEU HD13 H 1 0.512 0.03 . 2 . . . . 40 L HD11 . 17137 1 485 . 1 1 40 40 LEU HD21 H 1 0.449 0.03 . 2 . . . . 40 L HD21 . 17137 1 486 . 1 1 40 40 LEU HD22 H 1 0.449 0.03 . 2 . . . . 40 L HD21 . 17137 1 487 . 1 1 40 40 LEU HD23 H 1 0.449 0.03 . 2 . . . . 40 L HD21 . 17137 1 488 . 1 1 40 40 LEU HG H 1 1.059 0.03 . 1 . . . . 40 L HG . 17137 1 489 . 1 1 40 40 LEU C C 13 176.080 0.3 . 1 . . . . 40 L C . 17137 1 490 . 1 1 40 40 LEU CA C 13 54.830 0.3 . 1 . . . . 40 L CA . 17137 1 491 . 1 1 40 40 LEU CB C 13 41.720 0.3 . 1 . . . . 40 L CB . 17137 1 492 . 1 1 40 40 LEU CD1 C 13 21.522 0.3 . 1 . . . . 40 L CD1 . 17137 1 493 . 1 1 40 40 LEU CD2 C 13 25.722 0.3 . 1 . . . . 40 L CD2 . 17137 1 494 . 1 1 40 40 LEU CG C 13 27.249 0.3 . 1 . . . . 40 L CG . 17137 1 495 . 1 1 40 40 LEU N N 15 123.230 0.3 . 1 . . . . 40 L N . 17137 1 496 . 1 1 41 41 ALA H H 1 8.727 0.03 . 1 . . . . 41 A HN . 17137 1 497 . 1 1 41 41 ALA HA H 1 4.447 0.03 . 1 . . . . 41 A HA . 17137 1 498 . 1 1 41 41 ALA HB1 H 1 1.022 0.03 . 1 . . . . 41 A HB1 . 17137 1 499 . 1 1 41 41 ALA HB2 H 1 1.022 0.03 . 1 . . . . 41 A HB1 . 17137 1 500 . 1 1 41 41 ALA HB3 H 1 1.022 0.03 . 1 . . . . 41 A HB1 . 17137 1 501 . 1 1 41 41 ALA C C 13 176.054 0.3 . 1 . . . . 41 A C . 17137 1 502 . 1 1 41 41 ALA CA C 13 49.910 0.3 . 1 . . . . 41 A CA . 17137 1 503 . 1 1 41 41 ALA CB C 13 18.520 0.3 . 1 . . . . 41 A CB . 17137 1 504 . 1 1 41 41 ALA N N 15 130.700 0.3 . 1 . . . . 41 A N . 17137 1 505 . 1 1 42 42 PRO HA H 1 4.143 0.03 . 1 . . . . 42 P HA . 17137 1 506 . 1 1 42 42 PRO HB2 H 1 1.667 0.03 . 2 . . . . 42 P HB1 . 17137 1 507 . 1 1 42 42 PRO HB3 H 1 2.417 0.03 . 2 . . . . 42 P HB2 . 17137 1 508 . 1 1 42 42 PRO HD2 H 1 3.465 0.03 . 2 . . . . 42 P HD1 . 17137 1 509 . 1 1 42 42 PRO HD3 H 1 3.304 0.03 . 2 . . . . 42 P HD2 . 17137 1 510 . 1 1 42 42 PRO HG2 H 1 2.245 0.03 . 2 . . . . 42 P HG1 . 17137 1 511 . 1 1 42 42 PRO HG3 H 1 2.080 0.03 . 2 . . . . 42 P HG2 . 17137 1 512 . 1 1 42 42 PRO C C 13 178.624 0.3 . 1 . . . . 42 P C . 17137 1 513 . 1 1 42 42 PRO CA C 13 62.160 0.3 . 1 . . . . 42 P CA . 17137 1 514 . 1 1 42 42 PRO CB C 13 33.340 0.3 . 1 . . . . 42 P CB . 17137 1 515 . 1 1 42 42 PRO CD C 13 50.112 0.3 . 1 . . . . 42 P CD . 17137 1 516 . 1 1 42 42 PRO CG C 13 27.263 0.3 . 1 . . . . 42 P CG . 17137 1 517 . 1 1 43 43 LEU H H 1 8.249 0.03 . 1 . . . . 43 L HN . 17137 1 518 . 1 1 43 43 LEU HA H 1 3.898 0.03 . 1 . . . . 43 L HA . 17137 1 519 . 1 1 43 43 LEU HB2 H 1 1.418 0.03 . 2 . . . . 43 L HB1 . 17137 1 520 . 1 1 43 43 LEU HB3 H 1 1.899 0.03 . 2 . . . . 43 L HB2 . 17137 1 521 . 1 1 43 43 LEU HD11 H 1 0.735 0.03 . 2 . . . . 43 L HD11 . 17137 1 522 . 1 1 43 43 LEU HD12 H 1 0.735 0.03 . 2 . . . . 43 L HD11 . 17137 1 523 . 1 1 43 43 LEU HD13 H 1 0.735 0.03 . 2 . . . . 43 L HD11 . 17137 1 524 . 1 1 43 43 LEU HD21 H 1 0.699 0.03 . 2 . . . . 43 L HD21 . 17137 1 525 . 1 1 43 43 LEU HD22 H 1 0.699 0.03 . 2 . . . . 43 L HD21 . 17137 1 526 . 1 1 43 43 LEU HD23 H 1 0.699 0.03 . 2 . . . . 43 L HD21 . 17137 1 527 . 1 1 43 43 LEU HG H 1 1.648 0.03 . 1 . . . . 43 L HG . 17137 1 528 . 1 1 43 43 LEU C C 13 176.750 0.3 . 1 . . . . 43 L C . 17137 1 529 . 1 1 43 43 LEU CA C 13 58.470 0.3 . 1 . . . . 43 L CA . 17137 1 530 . 1 1 43 43 LEU CB C 13 41.760 0.3 . 1 . . . . 43 L CB . 17137 1 531 . 1 1 43 43 LEU CD1 C 13 26.008 0.3 . 1 . . . . 43 L CD1 . 17137 1 532 . 1 1 43 43 LEU CD2 C 13 22.867 0.3 . 1 . . . . 43 L CD2 . 17137 1 533 . 1 1 43 43 LEU CG C 13 26.172 0.3 . 1 . . . . 43 L CG . 17137 1 534 . 1 1 43 43 LEU N N 15 124.380 0.3 . 1 . . . . 43 L N . 17137 1 535 . 1 1 44 44 SER H H 1 8.553 0.03 . 1 . . . . 44 S HN . 17137 1 536 . 1 1 44 44 SER HA H 1 4.160 0.03 . 1 . . . . 44 S HA . 17137 1 537 . 1 1 44 44 SER HB2 H 1 3.903 0.03 . 2 . . . . 44 S HB1 . 17137 1 538 . 1 1 44 44 SER HB3 H 1 3.831 0.03 . 2 . . . . 44 S HB2 . 17137 1 539 . 1 1 44 44 SER C C 13 177.044 0.3 . 1 . . . . 44 S C . 17137 1 540 . 1 1 44 44 SER CA C 13 61.130 0.3 . 1 . . . . 44 S CA . 17137 1 541 . 1 1 44 44 SER CB C 13 61.840 0.3 . 1 . . . . 44 S CB . 17137 1 542 . 1 1 44 44 SER N N 15 110.140 0.3 . 1 . . . . 44 S N . 17137 1 543 . 1 1 45 45 VAL H H 1 7.208 0.03 . 1 . . . . 45 V HN . 17137 1 544 . 1 1 45 45 VAL HA H 1 3.837 0.03 . 1 . . . . 45 V HA . 17137 1 545 . 1 1 45 45 VAL HB H 1 2.193 0.03 . 1 . . . . 45 V HB . 17137 1 546 . 1 1 45 45 VAL HG11 H 1 0.984 0.03 . 2 . . . . 45 V HG11 . 17137 1 547 . 1 1 45 45 VAL HG12 H 1 0.984 0.03 . 2 . . . . 45 V HG11 . 17137 1 548 . 1 1 45 45 VAL HG13 H 1 0.984 0.03 . 2 . . . . 45 V HG11 . 17137 1 549 . 1 1 45 45 VAL HG21 H 1 0.928 0.03 . 2 . . . . 45 V HG21 . 17137 1 550 . 1 1 45 45 VAL HG22 H 1 0.928 0.03 . 2 . . . . 45 V HG21 . 17137 1 551 . 1 1 45 45 VAL HG23 H 1 0.928 0.03 . 2 . . . . 45 V HG21 . 17137 1 552 . 1 1 45 45 VAL C C 13 178.249 0.3 . 1 . . . . 45 V C . 17137 1 553 . 1 1 45 45 VAL CA C 13 65.550 0.3 . 1 . . . . 45 V CA . 17137 1 554 . 1 1 45 45 VAL CB C 13 31.770 0.3 . 1 . . . . 45 V CB . 17137 1 555 . 1 1 45 45 VAL CG1 C 13 22.190 0.3 . 1 . . . . 45 V CG1 . 17137 1 556 . 1 1 45 45 VAL CG2 C 13 20.286 0.3 . 1 . . . . 45 V CG2 . 17137 1 557 . 1 1 45 45 VAL N N 15 123.550 0.3 . 1 . . . . 45 V N . 17137 1 558 . 1 1 46 46 LEU H H 1 8.049 0.03 . 1 . . . . 46 L HN . 17137 1 559 . 1 1 46 46 LEU HA H 1 3.839 0.03 . 1 . . . . 46 L HA . 17137 1 560 . 1 1 46 46 LEU HB2 H 1 1.189 0.03 . 2 . . . . 46 L HB1 . 17137 1 561 . 1 1 46 46 LEU HB3 H 1 2.014 0.03 . 2 . . . . 46 L HB2 . 17137 1 562 . 1 1 46 46 LEU HD11 H 1 0.763 0.03 . 2 . . . . 46 L HD11 . 17137 1 563 . 1 1 46 46 LEU HD12 H 1 0.763 0.03 . 2 . . . . 46 L HD11 . 17137 1 564 . 1 1 46 46 LEU HD13 H 1 0.763 0.03 . 2 . . . . 46 L HD11 . 17137 1 565 . 1 1 46 46 LEU HD21 H 1 0.725 0.03 . 2 . . . . 46 L HD21 . 17137 1 566 . 1 1 46 46 LEU HD22 H 1 0.725 0.03 . 2 . . . . 46 L HD21 . 17137 1 567 . 1 1 46 46 LEU HD23 H 1 0.725 0.03 . 2 . . . . 46 L HD21 . 17137 1 568 . 1 1 46 46 LEU HG H 1 1.621 0.03 . 1 . . . . 46 L HG . 17137 1 569 . 1 1 46 46 LEU C C 13 179.936 0.3 . 1 . . . . 46 L C . 17137 1 570 . 1 1 46 46 LEU CA C 13 57.640 0.3 . 1 . . . . 46 L CA . 17137 1 571 . 1 1 46 46 LEU CB C 13 41.660 0.3 . 1 . . . . 46 L CB . 17137 1 572 . 1 1 46 46 LEU CD1 C 13 26.390 0.3 . 1 . . . . 46 L CD1 . 17137 1 573 . 1 1 46 46 LEU CD2 C 13 23.592 0.3 . 1 . . . . 46 L CD2 . 17137 1 574 . 1 1 46 46 LEU CG C 13 25.986 0.3 . 1 . . . . 46 L CG . 17137 1 575 . 1 1 46 46 LEU N N 15 120.390 0.3 . 1 . . . . 46 L N . 17137 1 576 . 1 1 47 47 GLU H H 1 8.581 0.03 . 1 . . . . 47 E HN . 17137 1 577 . 1 1 47 47 GLU HA H 1 3.828 0.03 . 1 . . . . 47 E HA . 17137 1 578 . 1 1 47 47 GLU HB2 H 1 1.946 0.03 . 2 . . . . 47 E HB1 . 17137 1 579 . 1 1 47 47 GLU HB3 H 1 2.056 0.03 . 2 . . . . 47 E HB2 . 17137 1 580 . 1 1 47 47 GLU HG2 H 1 1.970 0.03 . 2 . . . . 47 E HG1 . 17137 1 581 . 1 1 47 47 GLU HG3 H 1 2.361 0.03 . 2 . . . . 47 E HG2 . 17137 1 582 . 1 1 47 47 GLU C C 13 176.964 0.3 . 1 . . . . 47 E C . 17137 1 583 . 1 1 47 47 GLU CA C 13 59.220 0.3 . 1 . . . . 47 E CA . 17137 1 584 . 1 1 47 47 GLU CB C 13 30.290 0.3 . 1 . . . . 47 E CB . 17137 1 585 . 1 1 47 47 GLU CG C 13 37.332 0.3 . 1 . . . . 47 E CG . 17137 1 586 . 1 1 47 47 GLU N N 15 115.730 0.3 . 1 . . . . 47 E N . 17137 1 587 . 1 1 48 48 GLN H H 1 7.482 0.03 . 1 . . . . 48 Q HN . 17137 1 588 . 1 1 48 48 GLN HA H 1 4.295 0.03 . 1 . . . . 48 Q HA . 17137 1 589 . 1 1 48 48 GLN HB2 H 1 2.169 0.03 . 2 . . . . 48 Q HB1 . 17137 1 590 . 1 1 48 48 GLN HB3 H 1 2.169 0.03 . 2 . . . . 48 Q HB2 . 17137 1 591 . 1 1 48 48 GLN HE21 H 1 7.488 0.03 . 2 . . . . 48 Q HE21 . 17137 1 592 . 1 1 48 48 GLN HE22 H 1 6.796 0.03 . 2 . . . . 48 Q HE22 . 17137 1 593 . 1 1 48 48 GLN HG2 H 1 2.387 0.03 . 2 . . . . 48 Q HG1 . 17137 1 594 . 1 1 48 48 GLN HG3 H 1 2.518 0.03 . 2 . . . . 48 Q HG2 . 17137 1 595 . 1 1 48 48 GLN C C 13 177.526 0.3 . 1 . . . . 48 Q C . 17137 1 596 . 1 1 48 48 GLN CA C 13 57.750 0.3 . 1 . . . . 48 Q CA . 17137 1 597 . 1 1 48 48 GLN CB C 13 29.890 0.3 . 1 . . . . 48 Q CB . 17137 1 598 . 1 1 48 48 GLN CG C 13 33.835 0.3 . 1 . . . . 48 Q CG . 17137 1 599 . 1 1 48 48 GLN N N 15 116.730 0.3 . 1 . . . . 48 Q N . 17137 1 600 . 1 1 48 48 GLN NE2 N 15 111.881 0.3 . 1 . . . . 48 Q NE2 . 17137 1 601 . 1 1 49 49 SER H H 1 8.662 0.03 . 1 . . . . 49 S HN . 17137 1 602 . 1 1 49 49 SER HA H 1 4.667 0.03 . 1 . . . . 49 S HA . 17137 1 603 . 1 1 49 49 SER HB2 H 1 3.795 0.03 . 2 . . . . 49 S HB1 . 17137 1 604 . 1 1 49 49 SER HB3 H 1 3.936 0.03 . 2 . . . . 49 S HB2 . 17137 1 605 . 1 1 49 49 SER C C 13 174.769 0.3 . 1 . . . . 49 S C . 17137 1 606 . 1 1 49 49 SER CA C 13 58.230 0.3 . 1 . . . . 49 S CA . 17137 1 607 . 1 1 49 49 SER CB C 13 64.860 0.3 . 1 . . . . 49 S CB . 17137 1 608 . 1 1 49 49 SER N N 15 111.000 0.3 . 1 . . . . 49 S N . 17137 1 609 . 1 1 50 50 GLY H H 1 7.877 0.03 . 1 . . . . 50 G HN . 17137 1 610 . 1 1 50 50 GLY HA2 H 1 3.852 0.03 . 2 . . . . 50 G HA1 . 17137 1 611 . 1 1 50 50 GLY HA3 H 1 4.245 0.03 . 2 . . . . 50 G HA2 . 17137 1 612 . 1 1 50 50 GLY C C 13 172.305 0.3 . 1 . . . . 50 G C . 17137 1 613 . 1 1 50 50 GLY CA C 13 44.480 0.3 . 1 . . . . 50 G CA . 17137 1 614 . 1 1 50 50 GLY N N 15 110.900 0.3 . 1 . . . . 50 G N . 17137 1 615 . 1 1 51 51 LEU H H 1 8.660 0.03 . 1 . . . . 51 L HN . 17137 1 616 . 1 1 51 51 LEU HA H 1 4.257 0.03 . 1 . . . . 51 L HA . 17137 1 617 . 1 1 51 51 LEU HB2 H 1 1.244 0.03 . 2 . . . . 51 L HB1 . 17137 1 618 . 1 1 51 51 LEU HB3 H 1 1.683 0.03 . 2 . . . . 51 L HB2 . 17137 1 619 . 1 1 51 51 LEU HD11 H 1 0.802 0.03 . 2 . . . . 51 L HD11 . 17137 1 620 . 1 1 51 51 LEU HD12 H 1 0.802 0.03 . 2 . . . . 51 L HD11 . 17137 1 621 . 1 1 51 51 LEU HD13 H 1 0.802 0.03 . 2 . . . . 51 L HD11 . 17137 1 622 . 1 1 51 51 LEU HD21 H 1 0.876 0.03 . 2 . . . . 51 L HD21 . 17137 1 623 . 1 1 51 51 LEU HD22 H 1 0.876 0.03 . 2 . . . . 51 L HD21 . 17137 1 624 . 1 1 51 51 LEU HD23 H 1 0.876 0.03 . 2 . . . . 51 L HD21 . 17137 1 625 . 1 1 51 51 LEU HG H 1 1.555 0.03 . 1 . . . . 51 L HG . 17137 1 626 . 1 1 51 51 LEU CA C 13 52.620 0.3 . 1 . . . . 51 L CA . 17137 1 627 . 1 1 51 51 LEU CB C 13 43.210 0.3 . 1 . . . . 51 L CB . 17137 1 628 . 1 1 51 51 LEU CD1 C 13 26.281 0.3 . 1 . . . . 51 L CD1 . 17137 1 629 . 1 1 51 51 LEU CD2 C 13 25.294 0.3 . 1 . . . . 51 L CD2 . 17137 1 630 . 1 1 51 51 LEU CG C 13 26.257 0.3 . 1 . . . . 51 L CG . 17137 1 631 . 1 1 51 51 LEU N N 15 121.030 0.3 . 1 . . . . 51 L N . 17137 1 632 . 1 1 52 52 PRO HA H 1 4.362 0.03 . 1 . . . . 52 P HA . 17137 1 633 . 1 1 52 52 PRO HB2 H 1 1.734 0.03 . 2 . . . . 52 P HB1 . 17137 1 634 . 1 1 52 52 PRO HB3 H 1 2.424 0.03 . 2 . . . . 52 P HB2 . 17137 1 635 . 1 1 52 52 PRO HD2 H 1 4.102 0.03 . 2 . . . . 52 P HD1 . 17137 1 636 . 1 1 52 52 PRO HD3 H 1 3.374 0.03 . 2 . . . . 52 P HD2 . 17137 1 637 . 1 1 52 52 PRO HG2 H 1 2.034 0.03 . 2 . . . . 52 P HG1 . 17137 1 638 . 1 1 52 52 PRO HG3 H 1 2.034 0.03 . 2 . . . . 52 P HG2 . 17137 1 639 . 1 1 52 52 PRO C C 13 177.178 0.3 . 1 . . . . 52 P C . 17137 1 640 . 1 1 52 52 PRO CA C 13 62.810 0.3 . 1 . . . . 52 P CA . 17137 1 641 . 1 1 52 52 PRO CB C 13 32.270 0.3 . 1 . . . . 52 P CB . 17137 1 642 . 1 1 52 52 PRO CD C 13 50.720 0.3 . 1 . . . . 52 P CD . 17137 1 643 . 1 1 52 52 PRO CG C 13 27.249 0.3 . 1 . . . . 52 P CG . 17137 1 644 . 1 1 53 53 ALA H H 1 8.648 0.03 . 1 . . . . 53 A HN . 17137 1 645 . 1 1 53 53 ALA HA H 1 3.887 0.03 . 1 . . . . 53 A HA . 17137 1 646 . 1 1 53 53 ALA HB1 H 1 1.438 0.03 . 1 . . . . 53 A HB1 . 17137 1 647 . 1 1 53 53 ALA HB2 H 1 1.438 0.03 . 1 . . . . 53 A HB1 . 17137 1 648 . 1 1 53 53 ALA HB3 H 1 1.438 0.03 . 1 . . . . 53 A HB1 . 17137 1 649 . 1 1 53 53 ALA C C 13 180.445 0.3 . 1 . . . . 53 A C . 17137 1 650 . 1 1 53 53 ALA CA C 13 55.780 0.3 . 1 . . . . 53 A CA . 17137 1 651 . 1 1 53 53 ALA CB C 13 18.160 0.3 . 1 . . . . 53 A CB . 17137 1 652 . 1 1 53 53 ALA N N 15 126.560 0.3 . 1 . . . . 53 A N . 17137 1 653 . 1 1 54 54 LYS H H 1 8.446 0.03 . 1 . . . . 54 K HN . 17137 1 654 . 1 1 54 54 LYS HA H 1 4.178 0.03 . 1 . . . . 54 K HA . 17137 1 655 . 1 1 54 54 LYS HB2 H 1 1.772 0.03 . 2 . . . . 54 K HB1 . 17137 1 656 . 1 1 54 54 LYS HB3 H 1 1.884 0.03 . 2 . . . . 54 K HB2 . 17137 1 657 . 1 1 54 54 LYS HD2 H 1 1.669 0.03 . 2 . . . . 54 K HD1 . 17137 1 658 . 1 1 54 54 LYS HD3 H 1 1.669 0.03 . 2 . . . . 54 K HD2 . 17137 1 659 . 1 1 54 54 LYS HE2 H 1 2.924 0.03 . 2 . . . . 54 K HE1 . 17137 1 660 . 1 1 54 54 LYS HE3 H 1 2.924 0.03 . 2 . . . . 54 K HE2 . 17137 1 661 . 1 1 54 54 LYS HG2 H 1 1.299 0.03 . 2 . . . . 54 K HG1 . 17137 1 662 . 1 1 54 54 LYS HG3 H 1 1.407 0.03 . 2 . . . . 54 K HG2 . 17137 1 663 . 1 1 54 54 LYS C C 13 176.616 0.3 . 1 . . . . 54 K C . 17137 1 664 . 1 1 54 54 LYS CA C 13 57.750 0.3 . 1 . . . . 54 K CA . 17137 1 665 . 1 1 54 54 LYS CB C 13 31.830 0.3 . 1 . . . . 54 K CB . 17137 1 666 . 1 1 54 54 LYS CD C 13 29.254 0.3 . 1 . . . . 54 K CD . 17137 1 667 . 1 1 54 54 LYS CE C 13 41.949 0.3 . 1 . . . . 54 K CE . 17137 1 668 . 1 1 54 54 LYS CG C 13 24.767 0.3 . 1 . . . . 54 K CG . 17137 1 669 . 1 1 54 54 LYS N N 15 113.900 0.3 . 1 . . . . 54 K N . 17137 1 670 . 1 1 55 55 LEU H H 1 7.822 0.03 . 1 . . . . 55 L HN . 17137 1 671 . 1 1 55 55 LEU HA H 1 4.319 0.03 . 1 . . . . 55 L HA . 17137 1 672 . 1 1 55 55 LEU HB2 H 1 1.539 0.03 . 2 . . . . 55 L HB1 . 17137 1 673 . 1 1 55 55 LEU HB3 H 1 1.730 0.03 . 2 . . . . 55 L HB2 . 17137 1 674 . 1 1 55 55 LEU HD11 H 1 0.791 0.03 . 2 . . . . 55 L HD11 . 17137 1 675 . 1 1 55 55 LEU HD12 H 1 0.791 0.03 . 2 . . . . 55 L HD11 . 17137 1 676 . 1 1 55 55 LEU HD13 H 1 0.791 0.03 . 2 . . . . 55 L HD11 . 17137 1 677 . 1 1 55 55 LEU HD21 H 1 0.724 0.03 . 2 . . . . 55 L HD21 . 17137 1 678 . 1 1 55 55 LEU HD22 H 1 0.724 0.03 . 2 . . . . 55 L HD21 . 17137 1 679 . 1 1 55 55 LEU HD23 H 1 0.724 0.03 . 2 . . . . 55 L HD21 . 17137 1 680 . 1 1 55 55 LEU HG H 1 1.455 0.03 . 1 . . . . 55 L HG . 17137 1 681 . 1 1 55 55 LEU C C 13 174.420 0.3 . 1 . . . . 55 L C . 17137 1 682 . 1 1 55 55 LEU CA C 13 53.920 0.3 . 1 . . . . 55 L CA . 17137 1 683 . 1 1 55 55 LEU CB C 13 41.650 0.3 . 1 . . . . 55 L CB . 17137 1 684 . 1 1 55 55 LEU CD1 C 13 25.054 0.3 . 1 . . . . 55 L CD1 . 17137 1 685 . 1 1 55 55 LEU CD2 C 13 23.060 0.3 . 1 . . . . 55 L CD2 . 17137 1 686 . 1 1 55 55 LEU CG C 13 27.454 0.3 . 1 . . . . 55 L CG . 17137 1 687 . 1 1 55 55 LEU N N 15 117.940 0.3 . 1 . . . . 55 L N . 17137 1 688 . 1 1 56 56 ARG H H 1 6.990 0.03 . 1 . . . . 56 R HN . 17137 1 689 . 1 1 56 56 ARG HA H 1 4.012 0.03 . 1 . . . . 56 R HA . 17137 1 690 . 1 1 56 56 ARG HB2 H 1 1.721 0.03 . 2 . . . . 56 R HB1 . 17137 1 691 . 1 1 56 56 ARG HB3 H 1 1.789 0.03 . 2 . . . . 56 R HB2 . 17137 1 692 . 1 1 56 56 ARG HD2 H 1 3.142 0.03 . 2 . . . . 56 R HD1 . 17137 1 693 . 1 1 56 56 ARG HD3 H 1 3.209 0.03 . 2 . . . . 56 R HD2 . 17137 1 694 . 1 1 56 56 ARG HG2 H 1 1.701 0.03 . 2 . . . . 56 R HG1 . 17137 1 695 . 1 1 56 56 ARG HG3 H 1 1.495 0.03 . 2 . . . . 56 R HG2 . 17137 1 696 . 1 1 56 56 ARG C C 13 175.411 0.3 . 1 . . . . 56 R C . 17137 1 697 . 1 1 56 56 ARG CA C 13 57.260 0.3 . 1 . . . . 56 R CA . 17137 1 698 . 1 1 56 56 ARG CB C 13 29.550 0.3 . 1 . . . . 56 R CB . 17137 1 699 . 1 1 56 56 ARG CD C 13 43.451 0.3 . 1 . . . . 56 R CD . 17137 1 700 . 1 1 56 56 ARG CG C 13 27.631 0.3 . 1 . . . . 56 R CG . 17137 1 701 . 1 1 56 56 ARG N N 15 116.850 0.3 . 1 . . . . 56 R N . 17137 1 702 . 1 1 57 57 HIS H H 1 7.295 0.03 . 1 . . . . 57 H HN . 17137 1 703 . 1 1 57 57 HIS HA H 1 4.616 0.03 . 1 . . . . 57 H HA . 17137 1 704 . 1 1 57 57 HIS HB2 H 1 2.887 0.03 . 2 . . . . 57 H HB1 . 17137 1 705 . 1 1 57 57 HIS HB3 H 1 3.026 0.03 . 2 . . . . 57 H HB2 . 17137 1 706 . 1 1 57 57 HIS HD2 H 1 7.255 0.03 . 1 . . . . 57 H HD2 . 17137 1 707 . 1 1 57 57 HIS C C 13 173.724 0.3 . 1 . . . . 57 H C . 17137 1 708 . 1 1 57 57 HIS CA C 13 55.820 0.3 . 1 . . . . 57 H CA . 17137 1 709 . 1 1 57 57 HIS CB C 13 33.530 0.3 . 1 . . . . 57 H CB . 17137 1 710 . 1 1 57 57 HIS CD2 C 13 119.999 0.3 . 1 . . . . 57 H CD2 . 17137 1 711 . 1 1 57 57 HIS N N 15 122.730 0.3 . 1 . . . . 57 H N . 17137 1 712 . 1 1 58 58 GLU H H 1 7.679 0.03 . 1 . . . . 58 E HN . 17137 1 713 . 1 1 58 58 GLU HA H 1 4.064 0.03 . 1 . . . . 58 E HA . 17137 1 714 . 1 1 58 58 GLU HB2 H 1 1.902 0.03 . 2 . . . . 58 E HB1 . 17137 1 715 . 1 1 58 58 GLU HB3 H 1 2.059 0.03 . 2 . . . . 58 E HB2 . 17137 1 716 . 1 1 58 58 GLU HG2 H 1 2.252 0.03 . 2 . . . . 58 E HG1 . 17137 1 717 . 1 1 58 58 GLU HG3 H 1 2.252 0.03 . 2 . . . . 58 E HG2 . 17137 1 718 . 1 1 58 58 GLU C C 13 176.723 0.3 . 1 . . . . 58 E C . 17137 1 719 . 1 1 58 58 GLU CA C 13 59.201 0.3 . 1 . . . . 58 E CA . 17137 1 720 . 1 1 58 58 GLU CB C 13 30.130 0.3 . 1 . . . . 58 E CB . 17137 1 721 . 1 1 58 58 GLU CG C 13 36.794 0.3 . 1 . . . . 58 E CG . 17137 1 722 . 1 1 58 58 GLU N N 15 120.560 0.3 . 1 . . . . 58 E N . 17137 1 723 . 1 1 59 59 GLN H H 1 8.557 0.03 . 1 . . . . 59 Q HN . 17137 1 724 . 1 1 59 59 GLN HA H 1 5.486 0.03 . 1 . . . . 59 Q HA . 17137 1 725 . 1 1 59 59 GLN HB2 H 1 1.755 0.03 . 2 . . . . 59 Q HB1 . 17137 1 726 . 1 1 59 59 GLN HB3 H 1 2.197 0.03 . 2 . . . . 59 Q HB2 . 17137 1 727 . 1 1 59 59 GLN HE21 H 1 7.885 0.03 . 2 . . . . 59 Q HE21 . 17137 1 728 . 1 1 59 59 GLN HE22 H 1 6.577 0.03 . 2 . . . . 59 Q HE22 . 17137 1 729 . 1 1 59 59 GLN HG2 H 1 2.530 0.03 . 2 . . . . 59 Q HG1 . 17137 1 730 . 1 1 59 59 GLN HG3 H 1 2.389 0.03 . 2 . . . . 59 Q HG2 . 17137 1 731 . 1 1 59 59 GLN C C 13 174.206 0.3 . 1 . . . . 59 Q C . 17137 1 732 . 1 1 59 59 GLN CA C 13 55.310 0.3 . 1 . . . . 59 Q CA . 17137 1 733 . 1 1 59 59 GLN CB C 13 32.950 0.3 . 1 . . . . 59 Q CB . 17137 1 734 . 1 1 59 59 GLN CG C 13 34.694 0.3 . 1 . . . . 59 Q CG . 17137 1 735 . 1 1 59 59 GLN N N 15 118.290 0.3 . 1 . . . . 59 Q N . 17137 1 736 . 1 1 59 59 GLN NE2 N 15 111.827 0.3 . 1 . . . . 59 Q NE2 . 17137 1 737 . 1 1 60 60 ILE H H 1 8.761 0.03 . 1 . . . . 60 I HN . 17137 1 738 . 1 1 60 60 ILE HA H 1 4.552 0.03 . 1 . . . . 60 I HA . 17137 1 739 . 1 1 60 60 ILE HB H 1 1.246 0.03 . 1 . . . . 60 I HB . 17137 1 740 . 1 1 60 60 ILE HD11 H 1 0.841 0.03 . 1 . . . . 60 I HD11 . 17137 1 741 . 1 1 60 60 ILE HD12 H 1 0.841 0.03 . 1 . . . . 60 I HD11 . 17137 1 742 . 1 1 60 60 ILE HD13 H 1 0.841 0.03 . 1 . . . . 60 I HD11 . 17137 1 743 . 1 1 60 60 ILE HG12 H 1 0.844 0.03 . 1 . . . . 60 I HG11 . 17137 1 744 . 1 1 60 60 ILE HG13 H 1 1.429 0.03 . 1 . . . . 60 I HG12 . 17137 1 745 . 1 1 60 60 ILE HG21 H 1 -0.043 0.03 . 1 . . . . 60 I HG21 . 17137 1 746 . 1 1 60 60 ILE HG22 H 1 -0.043 0.03 . 1 . . . . 60 I HG21 . 17137 1 747 . 1 1 60 60 ILE HG23 H 1 -0.043 0.03 . 1 . . . . 60 I HG21 . 17137 1 748 . 1 1 60 60 ILE C C 13 173.235 0.3 . 1 . . . . 60 I C . 17137 1 749 . 1 1 60 60 ILE CA C 13 59.680 0.3 . 1 . . . . 60 I CA . 17137 1 750 . 1 1 60 60 ILE CB C 13 43.120 0.3 . 1 . . . . 60 I CB . 17137 1 751 . 1 1 60 60 ILE CD1 C 13 14.840 0.3 . 1 . . . . 60 I CD1 . 17137 1 752 . 1 1 60 60 ILE CG1 C 13 27.953 0.3 . 1 . . . . 60 I CG1 . 17137 1 753 . 1 1 60 60 ILE CG2 C 13 17.131 0.3 . 1 . . . . 60 I CG2 . 17137 1 754 . 1 1 60 60 ILE N N 15 122.790 0.3 . 1 . . . . 60 I N . 17137 1 755 . 1 1 61 61 ILE H H 1 9.082 0.03 . 1 . . . . 61 I HN . 17137 1 756 . 1 1 61 61 ILE HA H 1 5.021 0.03 . 1 . . . . 61 I HA . 17137 1 757 . 1 1 61 61 ILE HB H 1 1.702 0.03 . 1 . . . . 61 I HB . 17137 1 758 . 1 1 61 61 ILE HD11 H 1 0.651 0.03 . 1 . . . . 61 I HD11 . 17137 1 759 . 1 1 61 61 ILE HD12 H 1 0.651 0.03 . 1 . . . . 61 I HD11 . 17137 1 760 . 1 1 61 61 ILE HD13 H 1 0.651 0.03 . 1 . . . . 61 I HD11 . 17137 1 761 . 1 1 61 61 ILE HG12 H 1 0.717 0.03 . 1 . . . . 61 I HG11 . 17137 1 762 . 1 1 61 61 ILE HG13 H 1 1.467 0.03 . 1 . . . . 61 I HG12 . 17137 1 763 . 1 1 61 61 ILE HG21 H 1 0.659 0.03 . 1 . . . . 61 I HG21 . 17137 1 764 . 1 1 61 61 ILE HG22 H 1 0.659 0.03 . 1 . . . . 61 I HG21 . 17137 1 765 . 1 1 61 61 ILE HG23 H 1 0.659 0.03 . 1 . . . . 61 I HG21 . 17137 1 766 . 1 1 61 61 ILE C C 13 175.063 0.3 . 1 . . . . 61 I C . 17137 1 767 . 1 1 61 61 ILE CA C 13 58.470 0.3 . 1 . . . . 61 I CA . 17137 1 768 . 1 1 61 61 ILE CB C 13 40.280 0.3 . 1 . . . . 61 I CB . 17137 1 769 . 1 1 61 61 ILE CD1 C 13 15.795 0.3 . 1 . . . . 61 I CD1 . 17137 1 770 . 1 1 61 61 ILE CG1 C 13 26.500 0.3 . 1 . . . . 61 I CG1 . 17137 1 771 . 1 1 61 61 ILE CG2 C 13 17.990 0.3 . 1 . . . . 61 I CG2 . 17137 1 772 . 1 1 61 61 ILE N N 15 125.920 0.3 . 1 . . . . 61 I N . 17137 1 773 . 1 1 62 62 PHE H H 1 8.998 0.03 . 1 . . . . 62 F HN . 17137 1 774 . 1 1 62 62 PHE HA H 1 5.824 0.03 . 1 . . . . 62 F HA . 17137 1 775 . 1 1 62 62 PHE HB2 H 1 2.744 0.03 . 2 . . . . 62 F HB1 . 17137 1 776 . 1 1 62 62 PHE HB3 H 1 2.865 0.03 . 2 . . . . 62 F HB2 . 17137 1 777 . 1 1 62 62 PHE HD1 H 1 7.116 0.03 . 3 . . . . 62 F HD1 . 17137 1 778 . 1 1 62 62 PHE C C 13 176.080 0.3 . 1 . . . . 62 F C . 17137 1 779 . 1 1 62 62 PHE CA C 13 57.020 0.3 . 1 . . . . 62 F CA . 17137 1 780 . 1 1 62 62 PHE CB C 13 43.420 0.3 . 1 . . . . 62 F CB . 17137 1 781 . 1 1 62 62 PHE CD1 C 13 132.468 0.3 . 3 . . . . 62 F CD1 . 17137 1 782 . 1 1 62 62 PHE N N 15 123.730 0.3 . 1 . . . . 62 F N . 17137 1 783 . 1 1 63 63 HIS H H 1 9.293 0.03 . 1 . . . . 63 H HN . 17137 1 784 . 1 1 63 63 HIS HA H 1 5.990 0.03 . 1 . . . . 63 H HA . 17137 1 785 . 1 1 63 63 HIS HB2 H 1 2.737 0.03 . 2 . . . . 63 H HB1 . 17137 1 786 . 1 1 63 63 HIS HB3 H 1 3.226 0.03 . 2 . . . . 63 H HB2 . 17137 1 787 . 1 1 63 63 HIS HD2 H 1 6.260 0.03 . 1 . . . . 63 H HD2 . 17137 1 788 . 1 1 63 63 HIS C C 13 177.987 0.3 . 1 . . . . 63 H C . 17137 1 789 . 1 1 63 63 HIS CA C 13 54.160 0.3 . 1 . . . . 63 H CA . 17137 1 790 . 1 1 63 63 HIS CB C 13 36.690 0.3 . 1 . . . . 63 H CB . 17137 1 791 . 1 1 63 63 HIS CD2 C 13 116.815 0.3 . 1 . . . . 63 H CD2 . 17137 1 792 . 1 1 63 63 HIS N N 15 116.910 0.3 . 1 . . . . 63 H N . 17137 1 793 . 1 1 64 64 CYS H H 1 8.164 0.03 . 1 . . . . 64 C HN . 17137 1 794 . 1 1 64 64 CYS HA H 1 5.063 0.03 . 1 . . . . 64 C HA . 17137 1 795 . 1 1 64 64 CYS HB2 H 1 2.547 0.03 . 2 . . . . 64 C HB1 . 17137 1 796 . 1 1 64 64 CYS HB3 H 1 3.592 0.03 . 2 . . . . 64 C HB2 . 17137 1 797 . 1 1 64 64 CYS C C 13 177.366 0.3 . 1 . . . . 64 C C . 17137 1 798 . 1 1 64 64 CYS CA C 13 56.740 0.3 . 1 . . . . 64 C CA . 17137 1 799 . 1 1 64 64 CYS CB C 13 29.110 0.3 . 1 . . . . 64 C CB . 17137 1 800 . 1 1 64 64 CYS N N 15 119.460 0.3 . 1 . . . . 64 C N . 17137 1 801 . 1 1 65 65 GLN H H 1 8.927 0.03 . 1 . . . . 65 Q HN . 17137 1 802 . 1 1 65 65 GLN HA H 1 4.221 0.03 . 1 . . . . 65 Q HA . 17137 1 803 . 1 1 65 65 GLN HB2 H 1 2.219 0.03 . 2 . . . . 65 Q HB1 . 17137 1 804 . 1 1 65 65 GLN HB3 H 1 2.488 0.03 . 2 . . . . 65 Q HB2 . 17137 1 805 . 1 1 65 65 GLN HE21 H 1 8.354 0.03 . 2 . . . . 65 Q HE21 . 17137 1 806 . 1 1 65 65 GLN HE22 H 1 7.680 0.03 . 2 . . . . 65 Q HE22 . 17137 1 807 . 1 1 65 65 GLN HG2 H 1 2.357 0.03 . 2 . . . . 65 Q HG1 . 17137 1 808 . 1 1 65 65 GLN HG3 H 1 2.584 0.03 . 2 . . . . 65 Q HG2 . 17137 1 809 . 1 1 65 65 GLN C C 13 174.447 0.3 . 1 . . . . 65 Q C . 17137 1 810 . 1 1 65 65 GLN CA C 13 59.920 0.3 . 1 . . . . 65 Q CA . 17137 1 811 . 1 1 65 65 GLN CB C 13 29.120 0.3 . 1 . . . . 65 Q CB . 17137 1 812 . 1 1 65 65 GLN CG C 13 32.976 0.3 . 1 . . . . 65 Q CG . 17137 1 813 . 1 1 65 65 GLN N N 15 125.610 0.3 . 1 . . . . 65 Q N . 17137 1 814 . 1 1 65 65 GLN NE2 N 15 120.400 0.3 . 1 . . . . 65 Q NE2 . 17137 1 815 . 1 1 66 66 ALA H H 1 9.052 0.03 . 1 . . . . 66 A HN . 17137 1 816 . 1 1 66 66 ALA HA H 1 5.134 0.03 . 1 . . . . 66 A HA . 17137 1 817 . 1 1 66 66 ALA HB1 H 1 1.496 0.03 . 1 . . . . 66 A HB1 . 17137 1 818 . 1 1 66 66 ALA HB2 H 1 1.496 0.03 . 1 . . . . 66 A HB1 . 17137 1 819 . 1 1 66 66 ALA HB3 H 1 1.496 0.03 . 1 . . . . 66 A HB1 . 17137 1 820 . 1 1 66 66 ALA C C 13 177.607 0.3 . 1 . . . . 66 A C . 17137 1 821 . 1 1 66 66 ALA CA C 13 50.730 0.3 . 1 . . . . 66 A CA . 17137 1 822 . 1 1 66 66 ALA CB C 13 20.410 0.3 . 1 . . . . 66 A CB . 17137 1 823 . 1 1 66 66 ALA N N 15 118.660 0.3 . 1 . . . . 66 A N . 17137 1 824 . 1 1 67 67 GLY H H 1 8.822 0.03 . 1 . . . . 67 G HN . 17137 1 825 . 1 1 67 67 GLY HA2 H 1 4.073 0.03 . 2 . . . . 67 G HA1 . 17137 1 826 . 1 1 67 67 GLY HA3 H 1 4.521 0.03 . 2 . . . . 67 G HA2 . 17137 1 827 . 1 1 67 67 GLY C C 13 174.742 0.3 . 1 . . . . 67 G C . 17137 1 828 . 1 1 67 67 GLY CA C 13 45.400 0.3 . 1 . . . . 67 G CA . 17137 1 829 . 1 1 67 67 GLY N N 15 112.840 0.3 . 1 . . . . 67 G N . 17137 1 830 . 1 1 68 68 LYS H H 1 7.966 0.03 . 1 . . . . 68 K HN . 17137 1 831 . 1 1 68 68 LYS HA H 1 4.185 0.03 . 1 . . . . 68 K HA . 17137 1 832 . 1 1 68 68 LYS HB2 H 1 1.951 0.03 . 2 . . . . 68 K HB1 . 17137 1 833 . 1 1 68 68 LYS HB3 H 1 1.951 0.03 . 2 . . . . 68 K HB2 . 17137 1 834 . 1 1 68 68 LYS HD2 H 1 1.654 0.03 . 2 . . . . 68 K HD1 . 17137 1 835 . 1 1 68 68 LYS HD3 H 1 1.654 0.03 . 2 . . . . 68 K HD2 . 17137 1 836 . 1 1 68 68 LYS HE2 H 1 2.999 0.03 . 2 . . . . 68 K HE1 . 17137 1 837 . 1 1 68 68 LYS HE3 H 1 2.999 0.03 . 2 . . . . 68 K HE2 . 17137 1 838 . 1 1 68 68 LYS HG2 H 1 1.404 0.03 . 2 . . . . 68 K HG1 . 17137 1 839 . 1 1 68 68 LYS HG3 H 1 1.474 0.03 . 2 . . . . 68 K HG2 . 17137 1 840 . 1 1 68 68 LYS C C 13 178.082 0.3 . 1 . . . . 68 K C . 17137 1 841 . 1 1 68 68 LYS CA C 13 58.709 0.3 . 1 . . . . 68 K CA . 17137 1 842 . 1 1 68 68 LYS CB C 13 32.572 0.3 . 1 . . . . 68 K CB . 17137 1 843 . 1 1 68 68 LYS CD C 13 28.605 0.3 . 1 . . . . 68 K CD . 17137 1 844 . 1 1 68 68 LYS CE C 13 42.169 0.3 . 1 . . . . 68 K CE . 17137 1 845 . 1 1 68 68 LYS CG C 13 25.003 0.3 . 1 . . . . 68 K CG . 17137 1 846 . 1 1 68 68 LYS N N 15 119.920 0.3 . 1 . . . . 68 K N . 17137 1 847 . 1 1 69 69 ARG H H 1 9.100 0.03 . 1 . . . . 69 R HN . 17137 1 848 . 1 1 69 69 ARG HA H 1 4.231 0.03 . 1 . . . . 69 R HA . 17137 1 849 . 1 1 69 69 ARG HB2 H 1 1.938 0.03 . 2 . . . . 69 R HB1 . 17137 1 850 . 1 1 69 69 ARG HB3 H 1 2.214 0.03 . 2 . . . . 69 R HB2 . 17137 1 851 . 1 1 69 69 ARG HD2 H 1 3.087 0.03 . 2 . . . . 69 R HD1 . 17137 1 852 . 1 1 69 69 ARG HD3 H 1 3.198 0.03 . 2 . . . . 69 R HD2 . 17137 1 853 . 1 1 69 69 ARG HG2 H 1 1.596 0.03 . 2 . . . . 69 R HG1 . 17137 1 854 . 1 1 69 69 ARG HG3 H 1 1.801 0.03 . 2 . . . . 69 R HG2 . 17137 1 855 . 1 1 69 69 ARG C C 13 180.900 0.3 . 1 . . . . 69 R C . 17137 1 856 . 1 1 69 69 ARG CA C 13 59.930 0.3 . 1 . . . . 69 R CA . 17137 1 857 . 1 1 69 69 ARG CB C 13 30.760 0.3 . 1 . . . . 69 R CB . 17137 1 858 . 1 1 69 69 ARG CD C 13 43.858 0.3 . 1 . . . . 69 R CD . 17137 1 859 . 1 1 69 69 ARG CG C 13 27.440 0.3 . 1 . . . . 69 R CG . 17137 1 860 . 1 1 69 69 ARG N N 15 125.650 0.3 . 1 . . . . 69 R N . 17137 1 861 . 1 1 70 70 THR H H 1 10.302 0.03 . 1 . . . . 70 T HN . 17137 1 862 . 1 1 70 70 THR HA H 1 3.615 0.03 . 1 . . . . 70 T HA . 17137 1 863 . 1 1 70 70 THR HB H 1 4.142 0.03 . 1 . . . . 70 T HB . 17137 1 864 . 1 1 70 70 THR HG21 H 1 1.157 0.03 . 1 . . . . 70 T HG21 . 17137 1 865 . 1 1 70 70 THR HG22 H 1 1.157 0.03 . 1 . . . . 70 T HG21 . 17137 1 866 . 1 1 70 70 THR HG23 H 1 1.157 0.03 . 1 . . . . 70 T HG21 . 17137 1 867 . 1 1 70 70 THR C C 13 176.321 0.3 . 1 . . . . 70 T C . 17137 1 868 . 1 1 70 70 THR CA C 13 65.980 0.3 . 1 . . . . 70 T CA . 17137 1 869 . 1 1 70 70 THR CB C 13 68.180 0.3 . 1 . . . . 70 T CB . 17137 1 870 . 1 1 70 70 THR CG2 C 13 24.290 0.3 . 1 . . . . 70 T CG2 . 17137 1 871 . 1 1 70 70 THR N N 15 116.640 0.3 . 1 . . . . 70 T N . 17137 1 872 . 1 1 71 71 SER H H 1 7.401 0.03 . 1 . . . . 71 S HN . 17137 1 873 . 1 1 71 71 SER HA H 1 3.986 0.03 . 1 . . . . 71 S HA . 17137 1 874 . 1 1 71 71 SER HB2 H 1 4.037 0.03 . 2 . . . . 71 S HB1 . 17137 1 875 . 1 1 71 71 SER HB3 H 1 4.037 0.03 . 2 . . . . 71 S HB2 . 17137 1 876 . 1 1 71 71 SER C C 13 177.580 0.3 . 1 . . . . 71 S C . 17137 1 877 . 1 1 71 71 SER CA C 13 62.591 0.3 . 1 . . . . 71 S CA . 17137 1 878 . 1 1 71 71 SER CB C 13 62.350 0.3 . 1 . . . . 71 S CB . 17137 1 879 . 1 1 71 71 SER N N 15 113.020 0.3 . 1 . . . . 71 S N . 17137 1 880 . 1 1 72 72 ASN H H 1 7.990 0.03 . 1 . . . . 72 N HN . 17137 1 881 . 1 1 72 72 ASN HA H 1 4.614 0.03 . 1 . . . . 72 N HA . 17137 1 882 . 1 1 72 72 ASN HB2 H 1 2.813 0.03 . 2 . . . . 72 N HB1 . 17137 1 883 . 1 1 72 72 ASN HB3 H 1 2.872 0.03 . 2 . . . . 72 N HB2 . 17137 1 884 . 1 1 72 72 ASN HD21 H 1 7.599 0.03 . 2 . . . . 72 N HD21 . 17137 1 885 . 1 1 72 72 ASN HD22 H 1 6.987 0.03 . 2 . . . . 72 N HD22 . 17137 1 886 . 1 1 72 72 ASN C C 13 175.447 0.3 . 1 . . . . 72 N C . 17137 1 887 . 1 1 72 72 ASN CA C 13 55.290 0.3 . 1 . . . . 72 N CA . 17137 1 888 . 1 1 72 72 ASN CB C 13 38.850 0.3 . 1 . . . . 72 N CB . 17137 1 889 . 1 1 72 72 ASN N N 15 117.480 0.3 . 1 . . . . 72 N N . 17137 1 890 . 1 1 72 72 ASN ND2 N 15 111.921 0.3 . 1 . . . . 72 N ND2 . 17137 1 891 . 1 1 73 73 ASN H H 1 7.312 0.03 . 1 . . . . 73 N HN . 17137 1 892 . 1 1 73 73 ASN HA H 1 5.169 0.03 . 1 . . . . 73 N HA . 17137 1 893 . 1 1 73 73 ASN HB2 H 1 2.328 0.03 . 2 . . . . 73 N HB1 . 17137 1 894 . 1 1 73 73 ASN HB3 H 1 2.672 0.03 . 2 . . . . 73 N HB2 . 17137 1 895 . 1 1 73 73 ASN HD21 H 1 8.220 0.03 . 2 . . . . 73 N HD21 . 17137 1 896 . 1 1 73 73 ASN HD22 H 1 7.283 0.03 . 2 . . . . 73 N HD22 . 17137 1 897 . 1 1 73 73 ASN C C 13 174.233 0.3 . 1 . . . . 73 N C . 17137 1 898 . 1 1 73 73 ASN CA C 13 52.900 0.3 . 1 . . . . 73 N CA . 17137 1 899 . 1 1 73 73 ASN CB C 13 39.840 0.3 . 1 . . . . 73 N CB . 17137 1 900 . 1 1 73 73 ASN N N 15 115.020 0.3 . 1 . . . . 73 N N . 17137 1 901 . 1 1 73 73 ASN ND2 N 15 116.763 0.3 . 1 . . . . 73 N ND2 . 17137 1 902 . 1 1 74 74 ALA H H 1 7.148 0.03 . 1 . . . . 74 A HN . 17137 1 903 . 1 1 74 74 ALA HA H 1 3.746 0.03 . 1 . . . . 74 A HA . 17137 1 904 . 1 1 74 74 ALA HB1 H 1 1.531 0.03 . 1 . . . . 74 A HB1 . 17137 1 905 . 1 1 74 74 ALA HB2 H 1 1.531 0.03 . 1 . . . . 74 A HB1 . 17137 1 906 . 1 1 74 74 ALA HB3 H 1 1.531 0.03 . 1 . . . . 74 A HB1 . 17137 1 907 . 1 1 74 74 ALA C C 13 177.821 0.3 . 1 . . . . 74 A C . 17137 1 908 . 1 1 74 74 ALA CA C 13 57.020 0.3 . 1 . . . . 74 A CA . 17137 1 909 . 1 1 74 74 ALA CB C 13 19.480 0.3 . 1 . . . . 74 A CB . 17137 1 910 . 1 1 74 74 ALA N N 15 124.620 0.3 . 1 . . . . 74 A N . 17137 1 911 . 1 1 75 75 ASP H H 1 8.425 0.03 . 1 . . . . 75 D HN . 17137 1 912 . 1 1 75 75 ASP HA H 1 4.263 0.03 . 1 . . . . 75 D HA . 17137 1 913 . 1 1 75 75 ASP HB2 H 1 2.562 0.03 . 2 . . . . 75 D HB1 . 17137 1 914 . 1 1 75 75 ASP HB3 H 1 2.633 0.03 . 2 . . . . 75 D HB2 . 17137 1 915 . 1 1 75 75 ASP C C 13 179.084 0.3 . 1 . . . . 75 D C . 17137 1 916 . 1 1 75 75 ASP CA C 13 57.060 0.3 . 1 . . . . 75 D CA . 17137 1 917 . 1 1 75 75 ASP CB C 13 39.790 0.3 . 1 . . . . 75 D CB . 17137 1 918 . 1 1 75 75 ASP N N 15 114.920 0.3 . 1 . . . . 75 D N . 17137 1 919 . 1 1 76 76 LYS H H 1 7.668 0.03 . 1 . . . . 76 K HN . 17137 1 920 . 1 1 76 76 LYS HA H 1 4.073 0.03 . 1 . . . . 76 K HA . 17137 1 921 . 1 1 76 76 LYS HB2 H 1 1.706 0.03 . 2 . . . . 76 K HB1 . 17137 1 922 . 1 1 76 76 LYS HB3 H 1 1.851 0.03 . 2 . . . . 76 K HB2 . 17137 1 923 . 1 1 76 76 LYS HD2 H 1 1.686 0.03 . 2 . . . . 76 K HD1 . 17137 1 924 . 1 1 76 76 LYS HD3 H 1 1.686 0.03 . 2 . . . . 76 K HD2 . 17137 1 925 . 1 1 76 76 LYS HE2 H 1 2.991 0.03 . 2 . . . . 76 K HE1 . 17137 1 926 . 1 1 76 76 LYS HE3 H 1 2.991 0.03 . 2 . . . . 76 K HE2 . 17137 1 927 . 1 1 76 76 LYS HG2 H 1 1.380 0.03 . 2 . . . . 76 K HG1 . 17137 1 928 . 1 1 76 76 LYS HG3 H 1 1.476 0.03 . 2 . . . . 76 K HG2 . 17137 1 929 . 1 1 76 76 LYS C C 13 178.782 0.3 . 1 . . . . 76 K C . 17137 1 930 . 1 1 76 76 LYS CA C 13 58.919 0.3 . 1 . . . . 76 K CA . 17137 1 931 . 1 1 76 76 LYS CB C 13 32.310 0.3 . 1 . . . . 76 K CB . 17137 1 932 . 1 1 76 76 LYS CD C 13 29.419 0.3 . 1 . . . . 76 K CD . 17137 1 933 . 1 1 76 76 LYS CE C 13 42.000 0.3 . 1 . . . . 76 K CE . 17137 1 934 . 1 1 76 76 LYS CG C 13 24.565 0.3 . 1 . . . . 76 K CG . 17137 1 935 . 1 1 76 76 LYS N N 15 121.990 0.3 . 1 . . . . 76 K N . 17137 1 936 . 1 1 77 77 LEU H H 1 8.163 0.03 . 1 . . . . 77 L HN . 17137 1 937 . 1 1 77 77 LEU HA H 1 3.569 0.03 . 1 . . . . 77 L HA . 17137 1 938 . 1 1 77 77 LEU HB2 H 1 0.683 0.03 . 2 . . . . 77 L HB1 . 17137 1 939 . 1 1 77 77 LEU HB3 H 1 1.575 0.03 . 2 . . . . 77 L HB2 . 17137 1 940 . 1 1 77 77 LEU HD11 H 1 0.318 0.03 . 2 . . . . 77 L HD11 . 17137 1 941 . 1 1 77 77 LEU HD12 H 1 0.318 0.03 . 2 . . . . 77 L HD11 . 17137 1 942 . 1 1 77 77 LEU HD13 H 1 0.318 0.03 . 2 . . . . 77 L HD11 . 17137 1 943 . 1 1 77 77 LEU HD21 H 1 -0.186 0.03 . 2 . . . . 77 L HD21 . 17137 1 944 . 1 1 77 77 LEU HD22 H 1 -0.186 0.03 . 2 . . . . 77 L HD21 . 17137 1 945 . 1 1 77 77 LEU HD23 H 1 -0.186 0.03 . 2 . . . . 77 L HD21 . 17137 1 946 . 1 1 77 77 LEU HG H 1 1.375 0.03 . 1 . . . . 77 L HG . 17137 1 947 . 1 1 77 77 LEU C C 13 177.978 0.3 . 1 . . . . 77 L C . 17137 1 948 . 1 1 77 77 LEU CA C 13 57.748 0.3 . 1 . . . . 77 L CA . 17137 1 949 . 1 1 77 77 LEU CB C 13 40.052 0.3 . 1 . . . . 77 L CB . 17137 1 950 . 1 1 77 77 LEU CD1 C 13 25.590 0.3 . 1 . . . . 77 L CD1 . 17137 1 951 . 1 1 77 77 LEU CD2 C 13 20.758 0.3 . 1 . . . . 77 L CD2 . 17137 1 952 . 1 1 77 77 LEU CG C 13 25.952 0.3 . 1 . . . . 77 L CG . 17137 1 953 . 1 1 77 77 LEU N N 15 118.680 0.3 . 1 . . . . 77 L N . 17137 1 954 . 1 1 78 78 ALA H H 1 8.167 0.03 . 1 . . . . 78 A HN . 17137 1 955 . 1 1 78 78 ALA HA H 1 4.005 0.03 . 1 . . . . 78 A HA . 17137 1 956 . 1 1 78 78 ALA HB1 H 1 1.455 0.03 . 1 . . . . 78 A HB1 . 17137 1 957 . 1 1 78 78 ALA HB2 H 1 1.455 0.03 . 1 . . . . 78 A HB1 . 17137 1 958 . 1 1 78 78 ALA HB3 H 1 1.455 0.03 . 1 . . . . 78 A HB1 . 17137 1 959 . 1 1 78 78 ALA C C 13 179.534 0.3 . 1 . . . . 78 A C . 17137 1 960 . 1 1 78 78 ALA CA C 13 54.860 0.3 . 1 . . . . 78 A CA . 17137 1 961 . 1 1 78 78 ALA CB C 13 18.070 0.3 . 1 . . . . 78 A CB . 17137 1 962 . 1 1 78 78 ALA N N 15 119.690 0.3 . 1 . . . . 78 A N . 17137 1 963 . 1 1 79 79 ALA H H 1 7.338 0.03 . 1 . . . . 79 A HN . 17137 1 964 . 1 1 79 79 ALA HA H 1 4.176 0.03 . 1 . . . . 79 A HA . 17137 1 965 . 1 1 79 79 ALA HB1 H 1 1.515 0.03 . 1 . . . . 79 A HB1 . 17137 1 966 . 1 1 79 79 ALA HB2 H 1 1.515 0.03 . 1 . . . . 79 A HB1 . 17137 1 967 . 1 1 79 79 ALA HB3 H 1 1.515 0.03 . 1 . . . . 79 A HB1 . 17137 1 968 . 1 1 79 79 ALA CA C 13 54.610 0.3 . 1 . . . . 79 A CA . 17137 1 969 . 1 1 79 79 ALA CB C 13 18.250 0.3 . 1 . . . . 79 A CB . 17137 1 970 . 1 1 79 79 ALA N N 15 118.970 0.3 . 1 . . . . 79 A N . 17137 1 971 . 1 1 80 80 ILE H H 1 8.253 0.03 . 1 . . . . 80 I HN . 17137 1 972 . 1 1 80 80 ILE HA H 1 3.822 0.03 . 1 . . . . 80 I HA . 17137 1 973 . 1 1 80 80 ILE HB H 1 1.830 0.03 . 1 . . . . 80 I HB . 17137 1 974 . 1 1 80 80 ILE HD11 H 1 0.587 0.03 . 1 . . . . 80 I HD11 . 17137 1 975 . 1 1 80 80 ILE HD12 H 1 0.587 0.03 . 1 . . . . 80 I HD11 . 17137 1 976 . 1 1 80 80 ILE HD13 H 1 0.587 0.03 . 1 . . . . 80 I HD11 . 17137 1 977 . 1 1 80 80 ILE HG12 H 1 1.094 0.03 . 1 . . . . 80 I HG11 . 17137 1 978 . 1 1 80 80 ILE HG13 H 1 1.815 0.03 . 1 . . . . 80 I HG12 . 17137 1 979 . 1 1 80 80 ILE HG21 H 1 0.892 0.03 . 1 . . . . 80 I HG21 . 17137 1 980 . 1 1 80 80 ILE HG22 H 1 0.892 0.03 . 1 . . . . 80 I HG21 . 17137 1 981 . 1 1 80 80 ILE HG23 H 1 0.892 0.03 . 1 . . . . 80 I HG21 . 17137 1 982 . 1 1 80 80 ILE C C 13 177.221 0.3 . 1 . . . . 80 I C . 17137 1 983 . 1 1 80 80 ILE CA C 13 64.280 0.3 . 1 . . . . 80 I CA . 17137 1 984 . 1 1 80 80 ILE CB C 13 39.100 0.3 . 1 . . . . 80 I CB . 17137 1 985 . 1 1 80 80 ILE CD1 C 13 14.363 0.3 . 1 . . . . 80 I CD1 . 17137 1 986 . 1 1 80 80 ILE CG1 C 13 29.450 0.3 . 1 . . . . 80 I CG1 . 17137 1 987 . 1 1 80 80 ILE CG2 C 13 18.290 0.3 . 1 . . . . 80 I CG2 . 17137 1 988 . 1 1 80 80 ILE N N 15 118.310 0.3 . 1 . . . . 80 I N . 17137 1 989 . 1 1 81 81 ALA H H 1 7.934 0.03 . 1 . . . . 81 A HN . 17137 1 990 . 1 1 81 81 ALA HA H 1 4.480 0.03 . 1 . . . . 81 A HA . 17137 1 991 . 1 1 81 81 ALA HB1 H 1 1.556 0.03 . 1 . . . . 81 A HB1 . 17137 1 992 . 1 1 81 81 ALA HB2 H 1 1.556 0.03 . 1 . . . . 81 A HB1 . 17137 1 993 . 1 1 81 81 ALA HB3 H 1 1.556 0.03 . 1 . . . . 81 A HB1 . 17137 1 994 . 1 1 81 81 ALA C C 13 176.080 0.3 . 1 . . . . 81 A C . 17137 1 995 . 1 1 81 81 ALA CA C 13 51.510 0.3 . 1 . . . . 81 A CA . 17137 1 996 . 1 1 81 81 ALA CB C 13 20.140 0.3 . 1 . . . . 81 A CB . 17137 1 997 . 1 1 81 81 ALA N N 15 117.990 0.3 . 1 . . . . 81 A N . 17137 1 998 . 1 1 82 82 ALA H H 1 7.245 0.03 . 1 . . . . 82 A HN . 17137 1 999 . 1 1 82 82 ALA HA H 1 4.478 0.03 . 1 . . . . 82 A HA . 17137 1 1000 . 1 1 82 82 ALA HB1 H 1 1.472 0.03 . 1 . . . . 82 A HB1 . 17137 1 1001 . 1 1 82 82 ALA HB2 H 1 1.472 0.03 . 1 . . . . 82 A HB1 . 17137 1 1002 . 1 1 82 82 ALA HB3 H 1 1.472 0.03 . 1 . . . . 82 A HB1 . 17137 1 1003 . 1 1 82 82 ALA CA C 13 51.990 0.3 . 1 . . . . 82 A CA . 17137 1 1004 . 1 1 82 82 ALA CB C 13 17.020 0.3 . 1 . . . . 82 A CB . 17137 1 1005 . 1 1 82 82 ALA N N 15 124.090 0.3 . 1 . . . . 82 A N . 17137 1 1006 . 1 1 83 83 PRO HA H 1 4.719 0.03 . 1 . . . . 83 P HA . 17137 1 1007 . 1 1 83 83 PRO HB2 H 1 2.031 0.03 . 2 . . . . 83 P HB1 . 17137 1 1008 . 1 1 83 83 PRO HB3 H 1 2.509 0.03 . 2 . . . . 83 P HB2 . 17137 1 1009 . 1 1 83 83 PRO HD2 H 1 3.530 0.03 . 2 . . . . 83 P HD1 . 17137 1 1010 . 1 1 83 83 PRO HD3 H 1 3.440 0.03 . 2 . . . . 83 P HD2 . 17137 1 1011 . 1 1 83 83 PRO HG2 H 1 1.696 0.03 . 2 . . . . 83 P HG1 . 17137 1 1012 . 1 1 83 83 PRO HG3 H 1 1.947 0.03 . 2 . . . . 83 P HG2 . 17137 1 1013 . 1 1 83 83 PRO C C 13 175.117 0.3 . 1 . . . . 83 P C . 17137 1 1014 . 1 1 83 83 PRO CA C 13 63.910 0.3 . 1 . . . . 83 P CA . 17137 1 1015 . 1 1 83 83 PRO CB C 13 32.620 0.3 . 1 . . . . 83 P CB . 17137 1 1016 . 1 1 83 83 PRO CD C 13 49.435 0.3 . 1 . . . . 83 P CD . 17137 1 1017 . 1 1 83 83 PRO CG C 13 24.095 0.3 . 1 . . . . 83 P CG . 17137 1 1018 . 1 1 84 84 ALA H H 1 8.546 0.03 . 1 . . . . 84 A HN . 17137 1 1019 . 1 1 84 84 ALA HA H 1 4.152 0.03 . 1 . . . . 84 A HA . 17137 1 1020 . 1 1 84 84 ALA HB1 H 1 1.360 0.03 . 1 . . . . 84 A HB1 . 17137 1 1021 . 1 1 84 84 ALA HB2 H 1 1.360 0.03 . 1 . . . . 84 A HB1 . 17137 1 1022 . 1 1 84 84 ALA HB3 H 1 1.360 0.03 . 1 . . . . 84 A HB1 . 17137 1 1023 . 1 1 84 84 ALA C C 13 176.455 0.3 . 1 . . . . 84 A C . 17137 1 1024 . 1 1 84 84 ALA CA C 13 53.380 0.3 . 1 . . . . 84 A CA . 17137 1 1025 . 1 1 84 84 ALA CB C 13 19.630 0.3 . 1 . . . . 84 A CB . 17137 1 1026 . 1 1 84 84 ALA N N 15 127.900 0.3 . 1 . . . . 84 A N . 17137 1 1027 . 1 1 85 85 GLU H H 1 8.182 0.03 . 1 . . . . 85 E HN . 17137 1 1028 . 1 1 85 85 GLU HA H 1 4.257 0.03 . 1 . . . . 85 E HA . 17137 1 1029 . 1 1 85 85 GLU HB2 H 1 1.972 0.03 . 2 . . . . 85 E HB1 . 17137 1 1030 . 1 1 85 85 GLU HB3 H 1 2.176 0.03 . 2 . . . . 85 E HB2 . 17137 1 1031 . 1 1 85 85 GLU HG2 H 1 1.964 0.03 . 2 . . . . 85 E HG1 . 17137 1 1032 . 1 1 85 85 GLU HG3 H 1 2.189 0.03 . 2 . . . . 85 E HG2 . 17137 1 1033 . 1 1 85 85 GLU C C 13 175.009 0.3 . 1 . . . . 85 E C . 17137 1 1034 . 1 1 85 85 GLU CA C 13 56.530 0.3 . 1 . . . . 85 E CA . 17137 1 1035 . 1 1 85 85 GLU CB C 13 30.620 0.3 . 1 . . . . 85 E CB . 17137 1 1036 . 1 1 85 85 GLU CG C 13 36.508 0.3 . 1 . . . . 85 E CG . 17137 1 1037 . 1 1 85 85 GLU N N 15 121.640 0.3 . 1 . . . . 85 E N . 17137 1 1038 . 1 1 86 86 ILE H H 1 7.916 0.03 . 1 . . . . 86 I HN . 17137 1 1039 . 1 1 86 86 ILE HA H 1 5.292 0.03 . 1 . . . . 86 I HA . 17137 1 1040 . 1 1 86 86 ILE HB H 1 1.701 0.03 . 1 . . . . 86 I HB . 17137 1 1041 . 1 1 86 86 ILE HD11 H 1 0.832 0.03 . 1 . . . . 86 I HD11 . 17137 1 1042 . 1 1 86 86 ILE HD12 H 1 0.832 0.03 . 1 . . . . 86 I HD11 . 17137 1 1043 . 1 1 86 86 ILE HD13 H 1 0.832 0.03 . 1 . . . . 86 I HD11 . 17137 1 1044 . 1 1 86 86 ILE HG12 H 1 0.924 0.03 . 1 . . . . 86 I HG11 . 17137 1 1045 . 1 1 86 86 ILE HG13 H 1 1.475 0.03 . 1 . . . . 86 I HG12 . 17137 1 1046 . 1 1 86 86 ILE HG21 H 1 0.926 0.03 . 1 . . . . 86 I HG21 . 17137 1 1047 . 1 1 86 86 ILE HG22 H 1 0.926 0.03 . 1 . . . . 86 I HG21 . 17137 1 1048 . 1 1 86 86 ILE HG23 H 1 0.926 0.03 . 1 . . . . 86 I HG21 . 17137 1 1049 . 1 1 86 86 ILE C C 13 174.355 0.3 . 1 . . . . 86 I C . 17137 1 1050 . 1 1 86 86 ILE CA C 13 59.200 0.3 . 1 . . . . 86 I CA . 17137 1 1051 . 1 1 86 86 ILE CB C 13 40.480 0.3 . 1 . . . . 86 I CB . 17137 1 1052 . 1 1 86 86 ILE CD1 C 13 15.986 0.3 . 1 . . . . 86 I CD1 . 17137 1 1053 . 1 1 86 86 ILE CG1 C 13 27.030 0.3 . 1 . . . . 86 I CG1 . 17137 1 1054 . 1 1 86 86 ILE CG2 C 13 19.708 0.3 . 1 . . . . 86 I CG2 . 17137 1 1055 . 1 1 86 86 ILE N N 15 122.510 0.3 . 1 . . . . 86 I N . 17137 1 1056 . 1 1 87 87 PHE H H 1 9.063 0.03 . 1 . . . . 87 F HN . 17137 1 1057 . 1 1 87 87 PHE HA H 1 5.427 0.03 . 1 . . . . 87 F HA . 17137 1 1058 . 1 1 87 87 PHE HB2 H 1 2.656 0.03 . 2 . . . . 87 F HB1 . 17137 1 1059 . 1 1 87 87 PHE HB3 H 1 2.907 0.03 . 2 . . . . 87 F HB2 . 17137 1 1060 . 1 1 87 87 PHE HD1 H 1 6.987 0.03 . 3 . . . . 87 F HD1 . 17137 1 1061 . 1 1 87 87 PHE HD2 H 1 6.987 0.03 . 3 . . . . 87 F HD2 . 17137 1 1062 . 1 1 87 87 PHE C C 13 174.367 0.3 . 1 . . . . 87 F C . 17137 1 1063 . 1 1 87 87 PHE CA C 13 54.830 0.3 . 1 . . . . 87 F CA . 17137 1 1064 . 1 1 87 87 PHE CB C 13 43.640 0.3 . 1 . . . . 87 F CB . 17137 1 1065 . 1 1 87 87 PHE CD1 C 13 132.249 0.3 . 3 . . . . 87 F CD1 . 17137 1 1066 . 1 1 87 87 PHE N N 15 122.510 0.3 . 1 . . . . 87 F N . 17137 1 1067 . 1 1 88 88 LEU H H 1 8.850 0.03 . 1 . . . . 88 L HN . 17137 1 1068 . 1 1 88 88 LEU HA H 1 5.356 0.03 . 1 . . . . 88 L HA . 17137 1 1069 . 1 1 88 88 LEU HB2 H 1 1.414 0.03 . 2 . . . . 88 L HB1 . 17137 1 1070 . 1 1 88 88 LEU HB3 H 1 1.936 0.03 . 2 . . . . 88 L HB2 . 17137 1 1071 . 1 1 88 88 LEU HD11 H 1 0.818 0.03 . 2 . . . . 88 L HD11 . 17137 1 1072 . 1 1 88 88 LEU HD12 H 1 0.818 0.03 . 2 . . . . 88 L HD11 . 17137 1 1073 . 1 1 88 88 LEU HD13 H 1 0.818 0.03 . 2 . . . . 88 L HD11 . 17137 1 1074 . 1 1 88 88 LEU HD21 H 1 0.876 0.03 . 2 . . . . 88 L HD21 . 17137 1 1075 . 1 1 88 88 LEU HD22 H 1 0.876 0.03 . 2 . . . . 88 L HD21 . 17137 1 1076 . 1 1 88 88 LEU HD23 H 1 0.876 0.03 . 2 . . . . 88 L HD21 . 17137 1 1077 . 1 1 88 88 LEU HG H 1 1.637 0.03 . 1 . . . . 88 L HG . 17137 1 1078 . 1 1 88 88 LEU C C 13 176.402 0.3 . 1 . . . . 88 L C . 17137 1 1079 . 1 1 88 88 LEU CA C 13 52.690 0.3 . 1 . . . . 88 L CA . 17137 1 1080 . 1 1 88 88 LEU CB C 13 43.110 0.3 . 1 . . . . 88 L CB . 17137 1 1081 . 1 1 88 88 LEU CD1 C 13 25.436 0.3 . 1 . . . . 88 L CD1 . 17137 1 1082 . 1 1 88 88 LEU CD2 C 13 23.908 0.3 . 1 . . . . 88 L CD2 . 17137 1 1083 . 1 1 88 88 LEU CG C 13 26.988 0.3 . 1 . . . . 88 L CG . 17137 1 1084 . 1 1 88 88 LEU N N 15 119.980 0.3 . 1 . . . . 88 L N . 17137 1 1085 . 1 1 89 89 LEU H H 1 8.307 0.03 . 1 . . . . 89 L HN . 17137 1 1086 . 1 1 89 89 LEU HA H 1 4.460 0.03 . 1 . . . . 89 L HA . 17137 1 1087 . 1 1 89 89 LEU HB2 H 1 0.977 0.03 . 2 . . . . 89 L HB1 . 17137 1 1088 . 1 1 89 89 LEU HB3 H 1 2.080 0.03 . 2 . . . . 89 L HB2 . 17137 1 1089 . 1 1 89 89 LEU HD11 H 1 0.515 0.03 . 2 . . . . 89 L HD11 . 17137 1 1090 . 1 1 89 89 LEU HD12 H 1 0.515 0.03 . 2 . . . . 89 L HD11 . 17137 1 1091 . 1 1 89 89 LEU HD13 H 1 0.515 0.03 . 2 . . . . 89 L HD11 . 17137 1 1092 . 1 1 89 89 LEU HD21 H 1 0.893 0.03 . 2 . . . . 89 L HD21 . 17137 1 1093 . 1 1 89 89 LEU HD22 H 1 0.893 0.03 . 2 . . . . 89 L HD21 . 17137 1 1094 . 1 1 89 89 LEU HD23 H 1 0.893 0.03 . 2 . . . . 89 L HD21 . 17137 1 1095 . 1 1 89 89 LEU HG H 1 1.650 0.03 . 1 . . . . 89 L HG . 17137 1 1096 . 1 1 89 89 LEU C C 13 176.589 0.3 . 1 . . . . 89 L C . 17137 1 1097 . 1 1 89 89 LEU CA C 13 55.090 0.3 . 1 . . . . 89 L CA . 17137 1 1098 . 1 1 89 89 LEU CB C 13 43.450 0.3 . 1 . . . . 89 L CB . 17137 1 1099 . 1 1 89 89 LEU CD1 C 13 26.990 0.3 . 1 . . . . 89 L CD1 . 17137 1 1100 . 1 1 89 89 LEU CD2 C 13 24.313 0.3 . 1 . . . . 89 L CD2 . 17137 1 1101 . 1 1 89 89 LEU CG C 13 26.505 0.3 . 1 . . . . 89 L CG . 17137 1 1102 . 1 1 89 89 LEU N N 15 124.140 0.3 . 1 . . . . 89 L N . 17137 1 1103 . 1 1 90 90 GLU H H 1 9.408 0.03 . 1 . . . . 90 E HN . 17137 1 1104 . 1 1 90 90 GLU HA H 1 3.909 0.03 . 1 . . . . 90 E HA . 17137 1 1105 . 1 1 90 90 GLU HB2 H 1 1.757 0.03 . 2 . . . . 90 E HB1 . 17137 1 1106 . 1 1 90 90 GLU HB3 H 1 1.978 0.03 . 2 . . . . 90 E HB2 . 17137 1 1107 . 1 1 90 90 GLU HG2 H 1 2.110 0.03 . 2 . . . . 90 E HG1 . 17137 1 1108 . 1 1 90 90 GLU HG3 H 1 2.042 0.03 . 2 . . . . 90 E HG2 . 17137 1 1109 . 1 1 90 90 GLU C C 13 175.117 0.3 . 1 . . . . 90 E C . 17137 1 1110 . 1 1 90 90 GLU CA C 13 58.470 0.3 . 1 . . . . 90 E CA . 17137 1 1111 . 1 1 90 90 GLU CB C 13 30.670 0.3 . 1 . . . . 90 E CB . 17137 1 1112 . 1 1 90 90 GLU CG C 13 35.709 0.3 . 1 . . . . 90 E CG . 17137 1 1113 . 1 1 90 90 GLU N N 15 104.930 0.3 . 1 . . . . 90 E N . 17137 1 1114 . 1 1 91 91 ASP H H 1 9.181 0.03 . 1 . . . . 91 D HN . 17137 1 1115 . 1 1 91 91 ASP HA H 1 4.204 0.03 . 1 . . . . 91 D HA . 17137 1 1116 . 1 1 91 91 ASP HB2 H 1 2.980 0.03 . 2 . . . . 91 D HB1 . 17137 1 1117 . 1 1 91 91 ASP HB3 H 1 2.980 0.03 . 2 . . . . 91 D HB2 . 17137 1 1118 . 1 1 91 91 ASP C C 13 176.134 0.3 . 1 . . . . 91 D C . 17137 1 1119 . 1 1 91 91 ASP CA C 13 55.810 0.3 . 1 . . . . 91 D CA . 17137 1 1120 . 1 1 91 91 ASP CB C 13 39.020 0.3 . 1 . . . . 91 D CB . 17137 1 1121 . 1 1 91 91 ASP N N 15 120.510 0.3 . 1 . . . . 91 D N . 17137 1 1122 . 1 1 92 92 GLY H H 1 7.951 0.03 . 1 . . . . 92 G HN . 17137 1 1123 . 1 1 92 92 GLY HA2 H 1 3.703 0.03 . 2 . . . . 92 G HA1 . 17137 1 1124 . 1 1 92 92 GLY HA3 H 1 3.784 0.03 . 2 . . . . 92 G HA2 . 17137 1 1125 . 1 1 92 92 GLY C C 13 172.867 0.3 . 1 . . . . 92 G C . 17137 1 1126 . 1 1 92 92 GLY CA C 13 47.000 0.3 . 1 . . . . 92 G CA . 17137 1 1127 . 1 1 92 92 GLY N N 15 104.410 0.3 . 1 . . . . 92 G N . 17137 1 1128 . 1 1 93 93 ILE H H 1 8.139 0.03 . 1 . . . . 93 I HN . 17137 1 1129 . 1 1 93 93 ILE HA H 1 3.913 0.03 . 1 . . . . 93 I HA . 17137 1 1130 . 1 1 93 93 ILE HB H 1 1.515 0.03 . 1 . . . . 93 I HB . 17137 1 1131 . 1 1 93 93 ILE HD11 H 1 0.766 0.03 . 1 . . . . 93 I HD11 . 17137 1 1132 . 1 1 93 93 ILE HD12 H 1 0.766 0.03 . 1 . . . . 93 I HD11 . 17137 1 1133 . 1 1 93 93 ILE HD13 H 1 0.766 0.03 . 1 . . . . 93 I HD11 . 17137 1 1134 . 1 1 93 93 ILE HG12 H 1 1.212 0.03 . 1 . . . . 93 I HG11 . 17137 1 1135 . 1 1 93 93 ILE HG13 H 1 1.166 0.03 . 1 . . . . 93 I HG12 . 17137 1 1136 . 1 1 93 93 ILE HG21 H 1 1.268 0.03 . 1 . . . . 93 I HG21 . 17137 1 1137 . 1 1 93 93 ILE HG22 H 1 1.268 0.03 . 1 . . . . 93 I HG21 . 17137 1 1138 . 1 1 93 93 ILE HG23 H 1 1.268 0.03 . 1 . . . . 93 I HG21 . 17137 1 1139 . 1 1 93 93 ILE C C 13 176.455 0.3 . 1 . . . . 93 I C . 17137 1 1140 . 1 1 93 93 ILE CA C 13 63.920 0.3 . 1 . . . . 93 I CA . 17137 1 1141 . 1 1 93 93 ILE CB C 13 38.373 0.3 . 1 . . . . 93 I CB . 17137 1 1142 . 1 1 93 93 ILE CD1 C 13 15.360 0.3 . 1 . . . . 93 I CD1 . 17137 1 1143 . 1 1 93 93 ILE CG1 C 13 29.894 0.3 . 1 . . . . 93 I CG1 . 17137 1 1144 . 1 1 93 93 ILE CG2 C 13 16.845 0.3 . 1 . . . . 93 I CG2 . 17137 1 1145 . 1 1 93 93 ILE N N 15 121.520 0.3 . 1 . . . . 93 I N . 17137 1 1146 . 1 1 94 94 ASP H H 1 9.182 0.03 . 1 . . . . 94 D HN . 17137 1 1147 . 1 1 94 94 ASP HA H 1 4.444 0.03 . 1 . . . . 94 D HA . 17137 1 1148 . 1 1 94 94 ASP HB2 H 1 2.696 0.03 . 2 . . . . 94 D HB1 . 17137 1 1149 . 1 1 94 94 ASP HB3 H 1 3.079 0.03 . 2 . . . . 94 D HB2 . 17137 1 1150 . 1 1 94 94 ASP C C 13 180.143 0.3 . 1 . . . . 94 D C . 17137 1 1151 . 1 1 94 94 ASP CA C 13 58.450 0.3 . 1 . . . . 94 D CA . 17137 1 1152 . 1 1 94 94 ASP CB C 13 39.130 0.3 . 1 . . . . 94 D CB . 17137 1 1153 . 1 1 94 94 ASP N N 15 126.490 0.3 . 1 . . . . 94 D N . 17137 1 1154 . 1 1 95 95 GLY H H 1 8.106 0.03 . 1 . . . . 95 G HN . 17137 1 1155 . 1 1 95 95 GLY HA2 H 1 3.770 0.03 . 2 . . . . 95 G HA1 . 17137 1 1156 . 1 1 95 95 GLY HA3 H 1 3.941 0.03 . 2 . . . . 95 G HA2 . 17137 1 1157 . 1 1 95 95 GLY C C 13 176.017 0.3 . 1 . . . . 95 G C . 17137 1 1158 . 1 1 95 95 GLY CA C 13 46.890 0.3 . 1 . . . . 95 G CA . 17137 1 1159 . 1 1 95 95 GLY N N 15 110.720 0.3 . 1 . . . . 95 G N . 17137 1 1160 . 1 1 96 96 TRP H H 1 8.018 0.03 . 1 . . . . 96 W HN . 17137 1 1161 . 1 1 96 96 TRP HA H 1 3.815 0.03 . 1 . . . . 96 W HA . 17137 1 1162 . 1 1 96 96 TRP HB2 H 1 2.917 0.03 . 2 . . . . 96 W HB1 . 17137 1 1163 . 1 1 96 96 TRP HB3 H 1 3.657 0.03 . 2 . . . . 96 W HB2 . 17137 1 1164 . 1 1 96 96 TRP HD1 H 1 7.064 0.03 . 1 . . . . 96 W HD1 . 17137 1 1165 . 1 1 96 96 TRP C C 13 176.991 0.3 . 1 . . . . 96 W C . 17137 1 1166 . 1 1 96 96 TRP CA C 13 61.680 0.3 . 1 . . . . 96 W CA . 17137 1 1167 . 1 1 96 96 TRP CB C 13 29.420 0.3 . 1 . . . . 96 W CB . 17137 1 1168 . 1 1 96 96 TRP CD1 C 13 130.061 0.3 . 1 . . . . 96 W CD1 . 17137 1 1169 . 1 1 96 96 TRP N N 15 126.970 0.3 . 1 . . . . 96 W N . 17137 1 1170 . 1 1 97 97 LYS H H 1 8.717 0.03 . 1 . . . . 97 K HN . 17137 1 1171 . 1 1 97 97 LYS HA H 1 4.102 0.03 . 1 . . . . 97 K HA . 17137 1 1172 . 1 1 97 97 LYS HB2 H 1 1.932 0.03 . 2 . . . . 97 K HB1 . 17137 1 1173 . 1 1 97 97 LYS HB3 H 1 1.932 0.03 . 2 . . . . 97 K HB2 . 17137 1 1174 . 1 1 97 97 LYS HD2 H 1 1.686 0.03 . 2 . . . . 97 K HD1 . 17137 1 1175 . 1 1 97 97 LYS HD3 H 1 1.686 0.03 . 2 . . . . 97 K HD2 . 17137 1 1176 . 1 1 97 97 LYS HE2 H 1 2.865 0.03 . 2 . . . . 97 K HE1 . 17137 1 1177 . 1 1 97 97 LYS HE3 H 1 2.962 0.03 . 2 . . . . 97 K HE2 . 17137 1 1178 . 1 1 97 97 LYS HG2 H 1 1.790 0.03 . 2 . . . . 97 K HG1 . 17137 1 1179 . 1 1 97 97 LYS HG3 H 1 1.507 0.03 . 2 . . . . 97 K HG2 . 17137 1 1180 . 1 1 97 97 LYS C C 13 181.971 0.3 . 1 . . . . 97 K C . 17137 1 1181 . 1 1 97 97 LYS CA C 13 59.690 0.3 . 1 . . . . 97 K CA . 17137 1 1182 . 1 1 97 97 LYS CB C 13 32.310 0.3 . 1 . . . . 97 K CB . 17137 1 1183 . 1 1 97 97 LYS CD C 13 29.331 0.3 . 1 . . . . 97 K CD . 17137 1 1184 . 1 1 97 97 LYS CE C 13 41.290 0.3 . 1 . . . . 97 K CE . 17137 1 1185 . 1 1 97 97 LYS CG C 13 26.199 0.3 . 1 . . . . 97 K CG . 17137 1 1186 . 1 1 97 97 LYS N N 15 116.610 0.3 . 1 . . . . 97 K N . 17137 1 1187 . 1 1 98 98 ARG H H 1 8.298 0.03 . 1 . . . . 98 R HN . 17137 1 1188 . 1 1 98 98 ARG HA H 1 4.063 0.03 . 1 . . . . 98 R HA . 17137 1 1189 . 1 1 98 98 ARG HB2 H 1 1.956 0.03 . 2 . . . . 98 R HB1 . 17137 1 1190 . 1 1 98 98 ARG HB3 H 1 2.028 0.03 . 2 . . . . 98 R HB2 . 17137 1 1191 . 1 1 98 98 ARG HD2 H 1 3.284 0.03 . 2 . . . . 98 R HD1 . 17137 1 1192 . 1 1 98 98 ARG HD3 H 1 3.284 0.03 . 2 . . . . 98 R HD2 . 17137 1 1193 . 1 1 98 98 ARG HG2 H 1 1.850 0.03 . 2 . . . . 98 R HG1 . 17137 1 1194 . 1 1 98 98 ARG HG3 H 1 1.661 0.03 . 2 . . . . 98 R HG2 . 17137 1 1195 . 1 1 98 98 ARG C C 13 177.580 0.3 . 1 . . . . 98 R C . 17137 1 1196 . 1 1 98 98 ARG CA C 13 59.430 0.3 . 1 . . . . 98 R CA . 17137 1 1197 . 1 1 98 98 ARG CB C 13 30.400 0.3 . 1 . . . . 98 R CB . 17137 1 1198 . 1 1 98 98 ARG CD C 13 43.450 0.3 . 1 . . . . 98 R CD . 17137 1 1199 . 1 1 98 98 ARG CG C 13 28.108 0.3 . 1 . . . . 98 R CG . 17137 1 1200 . 1 1 98 98 ARG N N 15 122.580 0.3 . 1 . . . . 98 R N . 17137 1 1201 . 1 1 99 99 ALA H H 1 7.543 0.03 . 1 . . . . 99 A HN . 17137 1 1202 . 1 1 99 99 ALA HA H 1 4.289 0.03 . 1 . . . . 99 A HA . 17137 1 1203 . 1 1 99 99 ALA HB1 H 1 1.300 0.03 . 1 . . . . 99 A HB1 . 17137 1 1204 . 1 1 99 99 ALA HB2 H 1 1.300 0.03 . 1 . . . . 99 A HB1 . 17137 1 1205 . 1 1 99 99 ALA HB3 H 1 1.300 0.03 . 1 . . . . 99 A HB1 . 17137 1 1206 . 1 1 99 99 ALA C C 13 176.723 0.3 . 1 . . . . 99 A C . 17137 1 1207 . 1 1 99 99 ALA CA C 13 52.178 0.3 . 1 . . . . 99 A CA . 17137 1 1208 . 1 1 99 99 ALA CB C 13 18.210 0.3 . 1 . . . . 99 A CB . 17137 1 1209 . 1 1 99 99 ALA N N 15 119.580 0.3 . 1 . . . . 99 A N . 17137 1 1210 . 1 1 100 100 GLY H H 1 7.941 0.03 . 1 . . . . 100 G HN . 17137 1 1211 . 1 1 100 100 GLY HA2 H 1 3.706 0.03 . 2 . . . . 100 G HA1 . 17137 1 1212 . 1 1 100 100 GLY HA3 H 1 4.018 0.03 . 2 . . . . 100 G HA2 . 17137 1 1213 . 1 1 100 100 GLY C C 13 174.099 0.3 . 1 . . . . 100 G C . 17137 1 1214 . 1 1 100 100 GLY CA C 13 44.900 0.3 . 1 . . . . 100 G CA . 17137 1 1215 . 1 1 100 100 GLY N N 15 106.330 0.3 . 1 . . . . 100 G N . 17137 1 1216 . 1 1 101 101 LEU H H 1 6.989 0.03 . 1 . . . . 101 L HN . 17137 1 1217 . 1 1 101 101 LEU HA H 1 4.296 0.03 . 1 . . . . 101 L HA . 17137 1 1218 . 1 1 101 101 LEU HB2 H 1 -0.317 0.03 . 2 . . . . 101 L HB1 . 17137 1 1219 . 1 1 101 101 LEU HB3 H 1 0.335 0.03 . 2 . . . . 101 L HB2 . 17137 1 1220 . 1 1 101 101 LEU HD11 H 1 -0.747 0.03 . 2 . . . . 101 L HD11 . 17137 1 1221 . 1 1 101 101 LEU HD12 H 1 -0.747 0.03 . 2 . . . . 101 L HD11 . 17137 1 1222 . 1 1 101 101 LEU HD13 H 1 -0.747 0.03 . 2 . . . . 101 L HD11 . 17137 1 1223 . 1 1 101 101 LEU HD21 H 1 0.282 0.03 . 2 . . . . 101 L HD21 . 17137 1 1224 . 1 1 101 101 LEU HD22 H 1 0.282 0.03 . 2 . . . . 101 L HD21 . 17137 1 1225 . 1 1 101 101 LEU HD23 H 1 0.282 0.03 . 2 . . . . 101 L HD21 . 17137 1 1226 . 1 1 101 101 LEU HG H 1 0.698 0.03 . 1 . . . . 101 L HG . 17137 1 1227 . 1 1 101 101 LEU CA C 13 53.140 0.3 . 1 . . . . 101 L CA . 17137 1 1228 . 1 1 101 101 LEU CB C 13 37.200 0.3 . 1 . . . . 101 L CB . 17137 1 1229 . 1 1 101 101 LEU CD1 C 13 24.077 0.3 . 1 . . . . 101 L CD1 . 17137 1 1230 . 1 1 101 101 LEU CD2 C 13 21.672 0.3 . 1 . . . . 101 L CD2 . 17137 1 1231 . 1 1 101 101 LEU CG C 13 26.509 0.3 . 1 . . . . 101 L CG . 17137 1 1232 . 1 1 101 101 LEU N N 15 122.220 0.3 . 1 . . . . 101 L N . 17137 1 1233 . 1 1 102 102 PRO HA H 1 4.483 0.03 . 1 . . . . 102 P HA . 17137 1 1234 . 1 1 102 102 PRO HB2 H 1 1.902 0.03 . 2 . . . . 102 P HB1 . 17137 1 1235 . 1 1 102 102 PRO HB3 H 1 2.330 0.03 . 2 . . . . 102 P HB2 . 17137 1 1236 . 1 1 102 102 PRO HD2 H 1 3.555 0.03 . 2 . . . . 102 P HD1 . 17137 1 1237 . 1 1 102 102 PRO HD3 H 1 3.689 0.03 . 2 . . . . 102 P HD2 . 17137 1 1238 . 1 1 102 102 PRO HG2 H 1 2.176 0.03 . 2 . . . . 102 P HG1 . 17137 1 1239 . 1 1 102 102 PRO HG3 H 1 2.027 0.03 . 2 . . . . 102 P HG2 . 17137 1 1240 . 1 1 102 102 PRO C C 13 177.366 0.3 . 1 . . . . 102 P C . 17137 1 1241 . 1 1 102 102 PRO CA C 13 64.050 0.3 . 1 . . . . 102 P CA . 17137 1 1242 . 1 1 102 102 PRO CB C 13 33.070 0.3 . 1 . . . . 102 P CB . 17137 1 1243 . 1 1 102 102 PRO CD C 13 50.444 0.3 . 1 . . . . 102 P CD . 17137 1 1244 . 1 1 102 102 PRO CG C 13 27.714 0.3 . 1 . . . . 102 P CG . 17137 1 1245 . 1 1 103 103 VAL H H 1 8.075 0.03 . 1 . . . . 103 V HN . 17137 1 1246 . 1 1 103 103 VAL HA H 1 4.648 0.03 . 1 . . . . 103 V HA . 17137 1 1247 . 1 1 103 103 VAL HB H 1 1.843 0.03 . 1 . . . . 103 V HB . 17137 1 1248 . 1 1 103 103 VAL HG11 H 1 0.786 0.03 . 2 . . . . 103 V HG11 . 17137 1 1249 . 1 1 103 103 VAL HG12 H 1 0.786 0.03 . 2 . . . . 103 V HG11 . 17137 1 1250 . 1 1 103 103 VAL HG13 H 1 0.786 0.03 . 2 . . . . 103 V HG11 . 17137 1 1251 . 1 1 103 103 VAL HG21 H 1 0.793 0.03 . 2 . . . . 103 V HG21 . 17137 1 1252 . 1 1 103 103 VAL HG22 H 1 0.793 0.03 . 2 . . . . 103 V HG21 . 17137 1 1253 . 1 1 103 103 VAL HG23 H 1 0.793 0.03 . 2 . . . . 103 V HG21 . 17137 1 1254 . 1 1 103 103 VAL C C 13 174.179 0.3 . 1 . . . . 103 V C . 17137 1 1255 . 1 1 103 103 VAL CA C 13 59.700 0.3 . 1 . . . . 103 V CA . 17137 1 1256 . 1 1 103 103 VAL CB C 13 35.920 0.3 . 1 . . . . 103 V CB . 17137 1 1257 . 1 1 103 103 VAL CG1 C 13 23.240 0.3 . 1 . . . . 103 V CG1 . 17137 1 1258 . 1 1 103 103 VAL CG2 C 13 18.268 0.3 . 1 . . . . 103 V CG2 . 17137 1 1259 . 1 1 103 103 VAL N N 15 110.558 0.3 . 1 . . . . 103 V N . 17137 1 1260 . 1 1 104 104 ALA H H 1 9.014 0.03 . 1 . . . . 104 A HN . 17137 1 1261 . 1 1 104 104 ALA HA H 1 4.559 0.03 . 1 . . . . 104 A HA . 17137 1 1262 . 1 1 104 104 ALA HB1 H 1 0.677 0.03 . 1 . . . . 104 A HB1 . 17137 1 1263 . 1 1 104 104 ALA HB2 H 1 0.677 0.03 . 1 . . . . 104 A HB1 . 17137 1 1264 . 1 1 104 104 ALA HB3 H 1 0.677 0.03 . 1 . . . . 104 A HB1 . 17137 1 1265 . 1 1 104 104 ALA C C 13 176.080 0.3 . 1 . . . . 104 A C . 17137 1 1266 . 1 1 104 104 ALA CA C 13 50.730 0.3 . 1 . . . . 104 A CA . 17137 1 1267 . 1 1 104 104 ALA CB C 13 19.470 0.3 . 1 . . . . 104 A CB . 17137 1 1268 . 1 1 104 104 ALA N N 15 125.970 0.3 . 1 . . . . 104 A N . 17137 1 1269 . 1 1 105 105 VAL H H 1 8.282 0.03 . 1 . . . . 105 V HN . 17137 1 1270 . 1 1 105 105 VAL HA H 1 4.622 0.03 . 1 . . . . 105 V HA . 17137 1 1271 . 1 1 105 105 VAL HB H 1 2.093 0.03 . 1 . . . . 105 V HB . 17137 1 1272 . 1 1 105 105 VAL HG11 H 1 0.898 0.03 . 2 . . . . 105 V HG11 . 17137 1 1273 . 1 1 105 105 VAL HG12 H 1 0.898 0.03 . 2 . . . . 105 V HG11 . 17137 1 1274 . 1 1 105 105 VAL HG13 H 1 0.898 0.03 . 2 . . . . 105 V HG11 . 17137 1 1275 . 1 1 105 105 VAL HG21 H 1 0.968 0.03 . 2 . . . . 105 V HG21 . 17137 1 1276 . 1 1 105 105 VAL HG22 H 1 0.968 0.03 . 2 . . . . 105 V HG21 . 17137 1 1277 . 1 1 105 105 VAL HG23 H 1 0.968 0.03 . 2 . . . . 105 V HG21 . 17137 1 1278 . 1 1 105 105 VAL C C 13 175.465 0.3 . 1 . . . . 105 V C . 17137 1 1279 . 1 1 105 105 VAL CA C 13 60.170 0.3 . 1 . . . . 105 V CA . 17137 1 1280 . 1 1 105 105 VAL CB C 13 34.580 0.3 . 1 . . . . 105 V CB . 17137 1 1281 . 1 1 105 105 VAL CG1 C 13 20.000 0.3 . 1 . . . . 105 V CG1 . 17137 1 1282 . 1 1 105 105 VAL CG2 C 13 21.434 0.3 . 1 . . . . 105 V CG2 . 17137 1 1283 . 1 1 105 105 VAL N N 15 119.560 0.3 . 1 . . . . 105 V N . 17137 1 1284 . 1 1 106 106 ASN H H 1 8.205 0.03 . 1 . . . . 106 N HN . 17137 1 1285 . 1 1 106 106 ASN HA H 1 4.762 0.03 . 1 . . . . 106 N HA . 17137 1 1286 . 1 1 106 106 ASN HB2 H 1 2.895 0.03 . 2 . . . . 106 N HB1 . 17137 1 1287 . 1 1 106 106 ASN HB3 H 1 2.895 0.03 . 2 . . . . 106 N HB2 . 17137 1 1288 . 1 1 106 106 ASN HD21 H 1 7.616 0.03 . 2 . . . . 106 N HD21 . 17137 1 1289 . 1 1 106 106 ASN HD22 H 1 6.889 0.03 . 2 . . . . 106 N HD22 . 17137 1 1290 . 1 1 106 106 ASN C C 13 173.805 0.3 . 1 . . . . 106 N C . 17137 1 1291 . 1 1 106 106 ASN CA C 13 53.630 0.3 . 1 . . . . 106 N CA . 17137 1 1292 . 1 1 106 106 ASN CB C 13 39.450 0.3 . 1 . . . . 106 N CB . 17137 1 1293 . 1 1 106 106 ASN N N 15 123.370 0.3 . 1 . . . . 106 N N . 17137 1 1294 . 1 1 106 106 ASN ND2 N 15 112.733 0.3 . 1 . . . . 106 N ND2 . 17137 1 1295 . 1 1 107 107 LYS H H 1 7.914 0.03 . 1 . . . . 107 K HN . 17137 1 1296 . 1 1 107 107 LYS HA H 1 4.178 0.03 . 1 . . . . 107 K HA . 17137 1 1297 . 1 1 107 107 LYS HB2 H 1 1.699 0.03 . 2 . . . . 107 K HB1 . 17137 1 1298 . 1 1 107 107 LYS HB3 H 1 1.803 0.03 . 2 . . . . 107 K HB2 . 17137 1 1299 . 1 1 107 107 LYS HD2 H 1 1.663 0.03 . 2 . . . . 107 K HD1 . 17137 1 1300 . 1 1 107 107 LYS HD3 H 1 1.663 0.03 . 2 . . . . 107 K HD2 . 17137 1 1301 . 1 1 107 107 LYS HE2 H 1 2.985 0.03 . 2 . . . . 107 K HE1 . 17137 1 1302 . 1 1 107 107 LYS HE3 H 1 2.985 0.03 . 2 . . . . 107 K HE2 . 17137 1 1303 . 1 1 107 107 LYS HG2 H 1 1.372 0.03 . 2 . . . . 107 K HG1 . 17137 1 1304 . 1 1 107 107 LYS HG3 H 1 1.372 0.03 . 2 . . . . 107 K HG2 . 17137 1 1305 . 1 1 107 107 LYS CA C 13 57.845 0.3 . 1 . . . . 107 K CA . 17137 1 1306 . 1 1 107 107 LYS CB C 13 33.980 0.3 . 1 . . . . 107 K CB . 17137 1 1307 . 1 1 107 107 LYS CD C 13 29.246 0.3 . 1 . . . . 107 K CD . 17137 1 1308 . 1 1 107 107 LYS CE C 13 42.003 0.3 . 1 . . . . 107 K CE . 17137 1 1309 . 1 1 107 107 LYS CG C 13 24.605 0.3 . 1 . . . . 107 K CG . 17137 1 1310 . 1 1 107 107 LYS N N 15 127.240 0.3 . 1 . . . . 107 K N . 17137 1 stop_ save_