data_17136 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17136 _Entry.Title ; Rhodanese G ; _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 . . . 17136 2 Changwen Jin . . . 17136 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17136 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 302 17136 '15N chemical shifts' 120 17136 '1H chemical shifts' 671 17136 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' 17136 1 . . 2010-10-26 2010-08-20 original author 'original release' 17136 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17136 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20960079 _Citation.Full_citation . _Citation.Title '(1)H, (13)C and (15)N resonance assignments of rhodanese GlpE 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 97 _Citation.Page_last 99 _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 . . . 17136 1 2 Bin Xia . . . 17136 1 3 Changwen Jin . . . 17136 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17136 _Assembly.ID 1 _Assembly.Name GlpE _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 GlpE 1 $GlpE A . yes native no no . . . 17136 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GlpE _Entity.Sf_category entity _Entity.Sf_framecode GlpE _Entity.Entry_ID 17136 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GlpE _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 ; MDQFECINVADAHQKLQEKE AVLVDIRDPQSFAMGHAVQA FHLTNDTLGAFMRDNDFDTP VMVMCYHGNSSKGAAQYLLQ QGYDVVYSIDGGFEAWQRQF PAEVAYGA ; _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 108 _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 PDB 1GMX . "Escherichia Coli Glpe Sulfurtransferase" . . . . . 100.00 108 99.07 99.07 2.01e-72 . . . . 17136 1 2 no PDB 1GN0 . "Escherichia Coli Glpe Sulfurtransferase Soaked With Kcn" . . . . . 100.00 108 100.00 100.00 6.91e-74 . . . . 17136 1 3 no DBJ BAB37691 . "protein of glp regulon [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 108 99.07 100.00 2.70e-73 . . . . 17136 1 4 no DBJ BAE77867 . "thiosulfate:cyanide sulfurtransferase [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 108 100.00 100.00 6.91e-74 . . . . 17136 1 5 no DBJ BAG79215 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 108 100.00 100.00 6.91e-74 . . . . 17136 1 6 no DBJ BAI27682 . "thiosulfate:cyanide sulfurtransferase [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 108 99.07 99.07 7.06e-73 . . . . 17136 1 7 no DBJ BAI32851 . "thiosulfate:cyanide sulfurtransferase [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 108 100.00 100.00 6.91e-74 . . . . 17136 1 8 no EMBL CAA30397 . "unnamed protein product [Escherichia coli K-12]" . . . . . 99.07 131 100.00 100.00 1.18e-72 . . . . 17136 1 9 no EMBL CAP77870 . "Thiosulfate sulfurtransferase glpE [Escherichia coli LF82]" . . . . . 100.00 108 99.07 99.07 2.73e-73 . . . . 17136 1 10 no EMBL CAQ33745 . "thiosulfate sulfurtransferase [Escherichia coli BL21(DE3)]" . . . . . 100.00 108 100.00 100.00 6.91e-74 . . . . 17136 1 11 no EMBL CAQ90870 . "thiosulfate:cyanide sulfurtransferase (rhodanese) [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 108 100.00 100.00 6.91e-74 . . . . 17136 1 12 no EMBL CAR00367 . "thiosulfate:cyanide sulfurtransferase (rhodanese) [Escherichia coli IAI1]" . . . . . 100.00 108 99.07 99.07 7.06e-73 . . . . 17136 1 13 no GB AAA23889 . "glpE [Escherichia coli]" . . . . . 68.52 98 100.00 100.00 7.13e-47 . . . . 17136 1 14 no GB AAA58223 . "CG Site No. 18265 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 108 100.00 100.00 6.91e-74 . . . . 17136 1 15 no GB AAC28165 . "the translation start site has been verified [Escherichia coli]" . . . . . 100.00 108 100.00 100.00 6.91e-74 . . . . 17136 1 16 no GB AAC76450 . "thiosulfate:cyanide sulfurtransferase (rhodanese) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 108 100.00 100.00 6.91e-74 . . . . 17136 1 17 no GB AAN44907 . "protein of glp regulon [Shigella flexneri 2a str. 301]" . . . . . 100.00 108 100.00 100.00 6.91e-74 . . . . 17136 1 18 no REF NP_312295 . "thiosulfate sulfurtransferase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 108 99.07 100.00 2.70e-73 . . . . 17136 1 19 no REF NP_417883 . "thiosulfate:cyanide sulfurtransferase (rhodanese) [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 108 100.00 100.00 6.91e-74 . . . . 17136 1 20 no REF NP_709200 . "thiosulfate sulfurtransferase [Shigella flexneri 2a str. 301]" . . . . . 100.00 108 100.00 100.00 6.91e-74 . . . . 17136 1 21 no REF WP_000362869 . "MULTISPECIES: thiosulfate sulfurtransferase GlpE [Enterobacteriaceae]" . . . . . 100.00 108 99.07 99.07 7.06e-73 . . . . 17136 1 22 no REF WP_000371922 . "thiosulfate sulfurtransferase [Shigella boydii]" . . . . . 100.00 108 99.07 99.07 4.05e-73 . . . . 17136 1 23 no SP A1AGU8 . "RecName: Full=Thiosulfate sulfurtransferase GlpE" . . . . . 100.00 108 99.07 99.07 4.05e-73 . . . . 17136 1 24 no SP A7ZSV5 . "RecName: Full=Thiosulfate sulfurtransferase GlpE" . . . . . 100.00 108 100.00 100.00 6.91e-74 . . . . 17136 1 25 no SP A8A5N3 . "RecName: Full=Thiosulfate sulfurtransferase GlpE" . . . . . 100.00 108 100.00 100.00 6.91e-74 . . . . 17136 1 26 no SP B1IP41 . "RecName: Full=Thiosulfate sulfurtransferase GlpE" . . . . . 100.00 108 99.07 99.07 3.15e-73 . . . . 17136 1 27 no SP B1LI85 . "RecName: Full=Thiosulfate sulfurtransferase GlpE" . . . . . 100.00 108 99.07 99.07 4.05e-73 . . . . 17136 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 . 17136 1 2 . ASP . 17136 1 3 . GLN . 17136 1 4 . PHE . 17136 1 5 . GLU . 17136 1 6 . CYS . 17136 1 7 . ILE . 17136 1 8 . ASN . 17136 1 9 . VAL . 17136 1 10 . ALA . 17136 1 11 . ASP . 17136 1 12 . ALA . 17136 1 13 . HIS . 17136 1 14 . GLN . 17136 1 15 . LYS . 17136 1 16 . LEU . 17136 1 17 . GLN . 17136 1 18 . GLU . 17136 1 19 . LYS . 17136 1 20 . GLU . 17136 1 21 . ALA . 17136 1 22 . VAL . 17136 1 23 . LEU . 17136 1 24 . VAL . 17136 1 25 . ASP . 17136 1 26 . ILE . 17136 1 27 . ARG . 17136 1 28 . ASP . 17136 1 29 . PRO . 17136 1 30 . GLN . 17136 1 31 . SER . 17136 1 32 . PHE . 17136 1 33 . ALA . 17136 1 34 . MET . 17136 1 35 . GLY . 17136 1 36 . HIS . 17136 1 37 . ALA . 17136 1 38 . VAL . 17136 1 39 . GLN . 17136 1 40 . ALA . 17136 1 41 . PHE . 17136 1 42 . HIS . 17136 1 43 . LEU . 17136 1 44 . THR . 17136 1 45 . ASN . 17136 1 46 . ASP . 17136 1 47 . THR . 17136 1 48 . LEU . 17136 1 49 . GLY . 17136 1 50 . ALA . 17136 1 51 . PHE . 17136 1 52 . MET . 17136 1 53 . ARG . 17136 1 54 . ASP . 17136 1 55 . ASN . 17136 1 56 . ASP . 17136 1 57 . PHE . 17136 1 58 . ASP . 17136 1 59 . THR . 17136 1 60 . PRO . 17136 1 61 . VAL . 17136 1 62 . MET . 17136 1 63 . VAL . 17136 1 64 . MET . 17136 1 65 . CYS . 17136 1 66 . TYR . 17136 1 67 . HIS . 17136 1 68 . GLY . 17136 1 69 . ASN . 17136 1 70 . SER . 17136 1 71 . SER . 17136 1 72 . LYS . 17136 1 73 . GLY . 17136 1 74 . ALA . 17136 1 75 . ALA . 17136 1 76 . GLN . 17136 1 77 . TYR . 17136 1 78 . LEU . 17136 1 79 . LEU . 17136 1 80 . GLN . 17136 1 81 . GLN . 17136 1 82 . GLY . 17136 1 83 . TYR . 17136 1 84 . ASP . 17136 1 85 . VAL . 17136 1 86 . VAL . 17136 1 87 . TYR . 17136 1 88 . SER . 17136 1 89 . ILE . 17136 1 90 . ASP . 17136 1 91 . GLY . 17136 1 92 . GLY . 17136 1 93 . PHE . 17136 1 94 . GLU . 17136 1 95 . ALA . 17136 1 96 . TRP . 17136 1 97 . GLN . 17136 1 98 . ARG . 17136 1 99 . GLN . 17136 1 100 . PHE . 17136 1 101 . PRO . 17136 1 102 . ALA . 17136 1 103 . GLU . 17136 1 104 . VAL . 17136 1 105 . ALA . 17136 1 106 . TYR . 17136 1 107 . GLY . 17136 1 108 . ALA . 17136 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 17136 1 . ASP 2 2 17136 1 . GLN 3 3 17136 1 . PHE 4 4 17136 1 . GLU 5 5 17136 1 . CYS 6 6 17136 1 . ILE 7 7 17136 1 . ASN 8 8 17136 1 . VAL 9 9 17136 1 . ALA 10 10 17136 1 . ASP 11 11 17136 1 . ALA 12 12 17136 1 . HIS 13 13 17136 1 . GLN 14 14 17136 1 . LYS 15 15 17136 1 . LEU 16 16 17136 1 . GLN 17 17 17136 1 . GLU 18 18 17136 1 . LYS 19 19 17136 1 . GLU 20 20 17136 1 . ALA 21 21 17136 1 . VAL 22 22 17136 1 . LEU 23 23 17136 1 . VAL 24 24 17136 1 . ASP 25 25 17136 1 . ILE 26 26 17136 1 . ARG 27 27 17136 1 . ASP 28 28 17136 1 . PRO 29 29 17136 1 . GLN 30 30 17136 1 . SER 31 31 17136 1 . PHE 32 32 17136 1 . ALA 33 33 17136 1 . MET 34 34 17136 1 . GLY 35 35 17136 1 . HIS 36 36 17136 1 . ALA 37 37 17136 1 . VAL 38 38 17136 1 . GLN 39 39 17136 1 . ALA 40 40 17136 1 . PHE 41 41 17136 1 . HIS 42 42 17136 1 . LEU 43 43 17136 1 . THR 44 44 17136 1 . ASN 45 45 17136 1 . ASP 46 46 17136 1 . THR 47 47 17136 1 . LEU 48 48 17136 1 . GLY 49 49 17136 1 . ALA 50 50 17136 1 . PHE 51 51 17136 1 . MET 52 52 17136 1 . ARG 53 53 17136 1 . ASP 54 54 17136 1 . ASN 55 55 17136 1 . ASP 56 56 17136 1 . PHE 57 57 17136 1 . ASP 58 58 17136 1 . THR 59 59 17136 1 . PRO 60 60 17136 1 . VAL 61 61 17136 1 . MET 62 62 17136 1 . VAL 63 63 17136 1 . MET 64 64 17136 1 . CYS 65 65 17136 1 . TYR 66 66 17136 1 . HIS 67 67 17136 1 . GLY 68 68 17136 1 . ASN 69 69 17136 1 . SER 70 70 17136 1 . SER 71 71 17136 1 . LYS 72 72 17136 1 . GLY 73 73 17136 1 . ALA 74 74 17136 1 . ALA 75 75 17136 1 . GLN 76 76 17136 1 . TYR 77 77 17136 1 . LEU 78 78 17136 1 . LEU 79 79 17136 1 . GLN 80 80 17136 1 . GLN 81 81 17136 1 . GLY 82 82 17136 1 . TYR 83 83 17136 1 . ASP 84 84 17136 1 . VAL 85 85 17136 1 . VAL 86 86 17136 1 . TYR 87 87 17136 1 . SER 88 88 17136 1 . ILE 89 89 17136 1 . ASP 90 90 17136 1 . GLY 91 91 17136 1 . GLY 92 92 17136 1 . PHE 93 93 17136 1 . GLU 94 94 17136 1 . ALA 95 95 17136 1 . TRP 96 96 17136 1 . GLN 97 97 17136 1 . ARG 98 98 17136 1 . GLN 99 99 17136 1 . PHE 100 100 17136 1 . PRO 101 101 17136 1 . ALA 102 102 17136 1 . GLU 103 103 17136 1 . VAL 104 104 17136 1 . ALA 105 105 17136 1 . TYR 106 106 17136 1 . GLY 107 107 17136 1 . ALA 108 108 17136 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 17136 _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 $GlpE . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17136 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 17136 _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 $GlpE . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28 . . . . . . 17136 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17136 _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 GlpE '[U-99% 13C; U-99% 15N]' . . 1 $GlpE . . 1 . . mM . . . . 17136 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 17136 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17136 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17136 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 17136 _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 17136 1 pH 7.2 . pH 17136 1 pressure 1 . atm 17136 1 temperature 298 . K 17136 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17136 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17136 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17136 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 17136 _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 17136 _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 17136 _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 . . . 17136 1 2 spectrometer_2 Bruker Avance . 800 . . . 17136 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 17136 _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 . . . . . . . . . . . . . . . . . . . . . 17136 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17136 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17136 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17136 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17136 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17136 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17136 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17136 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 17136 _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 150.9023963 internal indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 17136 1 H 1 DSS 'methyl protons' . . . . MHz 600.1299596 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 17136 1 N 15 DSS 'methyl protons' . . . . MHz 60.8106395 internal indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17136 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 17136 _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' . . . 17136 1 2 '3D HNCACB' . . . 17136 1 3 '3D CBCA(CO)NH' . . . 17136 1 4 '3D C(CO)NH' . . . 17136 1 5 '3D H(CCO)NH' . . . 17136 1 6 '3D 1H-13C NOESY' . . . 17136 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 HA H 1 4.051 0.03 . 1 . . . . 1 M HA . 17136 1 2 . 1 1 1 1 MET HB2 H 1 2.136 0.03 . 2 . . . . 1 M HB1 . 17136 1 3 . 1 1 1 1 MET HB3 H 1 2.254 0.03 . 2 . . . . 1 M HB2 . 17136 1 4 . 1 1 1 1 MET HE1 H 1 1.996 0.03 . 1 . . . . 1 M HE1 . 17136 1 5 . 1 1 1 1 MET HE2 H 1 1.996 0.03 . 1 . . . . 1 M HE1 . 17136 1 6 . 1 1 1 1 MET HE3 H 1 1.996 0.03 . 1 . . . . 1 M HE1 . 17136 1 7 . 1 1 1 1 MET HG2 H 1 2.634 0.03 . 2 . . . . 1 M HG1 . 17136 1 8 . 1 1 1 1 MET HG3 H 1 2.684 0.03 . 2 . . . . 1 M HG2 . 17136 1 9 . 1 1 1 1 MET CA C 13 55.550 0.3 . 1 . . . . 1 M CA . 17136 1 10 . 1 1 1 1 MET CB C 13 33.601 0.3 . 1 . . . . 1 M CB . 17136 1 11 . 1 1 1 1 MET CE C 13 17.289 0.3 . 1 . . . . 1 M CE . 17136 1 12 . 1 1 1 1 MET CG C 13 31.443 0.3 . 1 . . . . 1 M CG . 17136 1 13 . 1 1 2 2 ASP HA H 1 4.613 0.03 . 1 . . . . 2 D HA . 17136 1 14 . 1 1 2 2 ASP HB2 H 1 2.553 0.03 . 2 . . . . 2 D HB1 . 17136 1 15 . 1 1 2 2 ASP HB3 H 1 2.553 0.03 . 2 . . . . 2 D HB2 . 17136 1 16 . 1 1 2 2 ASP CA C 13 54.890 0.3 . 1 . . . . 2 D CA . 17136 1 17 . 1 1 2 2 ASP CB C 13 41.350 0.3 . 1 . . . . 2 D CB . 17136 1 18 . 1 1 3 3 GLN H H 1 7.816 0.03 . 1 . . . . 3 Q HN . 17136 1 19 . 1 1 3 3 GLN HA H 1 4.674 0.03 . 1 . . . . 3 Q HA . 17136 1 20 . 1 1 3 3 GLN HB2 H 1 1.797 0.03 . 2 . . . . 3 Q HB1 . 17136 1 21 . 1 1 3 3 GLN HB3 H 1 1.959 0.03 . 2 . . . . 3 Q HB2 . 17136 1 22 . 1 1 3 3 GLN HE21 H 1 7.403 0.03 . 2 . . . . 3 Q HE21 . 17136 1 23 . 1 1 3 3 GLN HE22 H 1 6.694 0.03 . 2 . . . . 3 Q HE22 . 17136 1 24 . 1 1 3 3 GLN HG2 H 1 2.202 0.03 . 2 . . . . 3 Q HG1 . 17136 1 25 . 1 1 3 3 GLN HG3 H 1 2.820 0.03 . 2 . . . . 3 Q HG2 . 17136 1 26 . 1 1 3 3 GLN CA C 13 54.580 0.3 . 1 . . . . 3 Q CA . 17136 1 27 . 1 1 3 3 GLN CB C 13 31.300 0.3 . 1 . . . . 3 Q CB . 17136 1 28 . 1 1 3 3 GLN CG C 13 33.500 0.3 . 1 . . . . 3 Q CG . 17136 1 29 . 1 1 3 3 GLN N N 15 117.580 0.3 . 1 . . . . 3 Q N . 17136 1 30 . 1 1 3 3 GLN NE2 N 15 112.209 0.3 . 1 . . . . 3 Q NE2 . 17136 1 31 . 1 1 4 4 PHE H H 1 7.223 0.03 . 1 . . . . 4 F HN . 17136 1 32 . 1 1 4 4 PHE HA H 1 4.786 0.03 . 1 . . . . 4 F HA . 17136 1 33 . 1 1 4 4 PHE HB2 H 1 2.602 0.03 . 2 . . . . 4 F HB1 . 17136 1 34 . 1 1 4 4 PHE HB3 H 1 3.014 0.03 . 2 . . . . 4 F HB2 . 17136 1 35 . 1 1 4 4 PHE CA C 13 56.450 0.3 . 1 . . . . 4 F CA . 17136 1 36 . 1 1 4 4 PHE CB C 13 40.390 0.3 . 1 . . . . 4 F CB . 17136 1 37 . 1 1 4 4 PHE N N 15 117.910 0.3 . 1 . . . . 4 F N . 17136 1 38 . 1 1 5 5 GLU H H 1 7.744 0.03 . 1 . . . . 5 E HN . 17136 1 39 . 1 1 5 5 GLU HA H 1 4.701 0.03 . 1 . . . . 5 E HA . 17136 1 40 . 1 1 5 5 GLU HB2 H 1 1.907 0.03 . 2 . . . . 5 E HB1 . 17136 1 41 . 1 1 5 5 GLU HB3 H 1 2.123 0.03 . 2 . . . . 5 E HB2 . 17136 1 42 . 1 1 5 5 GLU HG2 H 1 2.251 0.03 . 2 . . . . 5 E HG1 . 17136 1 43 . 1 1 5 5 GLU HG3 H 1 2.370 0.03 . 2 . . . . 5 E HG2 . 17136 1 44 . 1 1 5 5 GLU CA C 13 54.620 0.3 . 1 . . . . 5 E CA . 17136 1 45 . 1 1 5 5 GLU CB C 13 33.290 0.3 . 1 . . . . 5 E CB . 17136 1 46 . 1 1 5 5 GLU CG C 13 36.215 0.3 . 1 . . . . 5 E CG . 17136 1 47 . 1 1 5 5 GLU N N 15 119.800 0.3 . 1 . . . . 5 E N . 17136 1 48 . 1 1 6 6 CYS H H 1 8.983 0.03 . 1 . . . . 6 C HN . 17136 1 49 . 1 1 6 6 CYS HA H 1 5.680 0.03 . 1 . . . . 6 C HA . 17136 1 50 . 1 1 6 6 CYS HB2 H 1 2.954 0.03 . 2 . . . . 6 C HB1 . 17136 1 51 . 1 1 6 6 CYS HB3 H 1 3.405 0.03 . 2 . . . . 6 C HB2 . 17136 1 52 . 1 1 6 6 CYS CA C 13 59.220 0.3 . 1 . . . . 6 C CA . 17136 1 53 . 1 1 6 6 CYS CB C 13 28.890 0.3 . 1 . . . . 6 C CB . 17136 1 54 . 1 1 6 6 CYS N N 15 123.460 0.3 . 1 . . . . 6 C N . 17136 1 55 . 1 1 7 7 ILE H H 1 8.766 0.03 . 1 . . . . 7 I HN . 17136 1 56 . 1 1 7 7 ILE HA H 1 4.909 0.03 . 1 . . . . 7 I HA . 17136 1 57 . 1 1 7 7 ILE HB H 1 1.950 0.03 . 1 . . . . 7 I HB . 17136 1 58 . 1 1 7 7 ILE HD11 H 1 0.168 0.03 . 1 . . . . 7 I HD11 . 17136 1 59 . 1 1 7 7 ILE HD12 H 1 0.168 0.03 . 1 . . . . 7 I HD11 . 17136 1 60 . 1 1 7 7 ILE HD13 H 1 0.168 0.03 . 1 . . . . 7 I HD11 . 17136 1 61 . 1 1 7 7 ILE HG12 H 1 0.983 0.03 . 1 . . . . 7 I HG11 . 17136 1 62 . 1 1 7 7 ILE HG13 H 1 1.466 0.03 . 1 . . . . 7 I HG12 . 17136 1 63 . 1 1 7 7 ILE HG21 H 1 0.708 0.03 . 1 . . . . 7 I HG21 . 17136 1 64 . 1 1 7 7 ILE HG22 H 1 0.708 0.03 . 1 . . . . 7 I HG21 . 17136 1 65 . 1 1 7 7 ILE HG23 H 1 0.708 0.03 . 1 . . . . 7 I HG21 . 17136 1 66 . 1 1 7 7 ILE CA C 13 59.160 0.3 . 1 . . . . 7 I CA . 17136 1 67 . 1 1 7 7 ILE CB C 13 42.170 0.3 . 1 . . . . 7 I CB . 17136 1 68 . 1 1 7 7 ILE CD1 C 13 13.267 0.3 . 1 . . . . 7 I CD1 . 17136 1 69 . 1 1 7 7 ILE CG1 C 13 25.893 0.3 . 1 . . . . 7 I CG1 . 17136 1 70 . 1 1 7 7 ILE CG2 C 13 18.157 0.3 . 1 . . . . 7 I CG2 . 17136 1 71 . 1 1 7 7 ILE N N 15 118.980 0.3 . 1 . . . . 7 I N . 17136 1 72 . 1 1 8 8 ASN H H 1 8.798 0.03 . 1 . . . . 8 N HN . 17136 1 73 . 1 1 8 8 ASN HA H 1 5.064 0.03 . 1 . . . . 8 N HA . 17136 1 74 . 1 1 8 8 ASN HB2 H 1 2.945 0.03 . 2 . . . . 8 N HB1 . 17136 1 75 . 1 1 8 8 ASN HB3 H 1 3.344 0.03 . 2 . . . . 8 N HB2 . 17136 1 76 . 1 1 8 8 ASN HD21 H 1 7.540 0.03 . 2 . . . . 8 N HD21 . 17136 1 77 . 1 1 8 8 ASN HD22 H 1 6.833 0.03 . 2 . . . . 8 N HD22 . 17136 1 78 . 1 1 8 8 ASN CA C 13 51.790 0.3 . 1 . . . . 8 N CA . 17136 1 79 . 1 1 8 8 ASN CB C 13 39.690 0.3 . 1 . . . . 8 N CB . 17136 1 80 . 1 1 8 8 ASN N N 15 120.050 0.3 . 1 . . . . 8 N N . 17136 1 81 . 1 1 8 8 ASN ND2 N 15 112.429 0.3 . 1 . . . . 8 N ND2 . 17136 1 82 . 1 1 9 9 VAL H H 1 8.914 0.03 . 1 . . . . 9 V HN . 17136 1 83 . 1 1 9 9 VAL HA H 1 4.024 0.03 . 1 . . . . 9 V HA . 17136 1 84 . 1 1 9 9 VAL HB H 1 2.316 0.03 . 1 . . . . 9 V HB . 17136 1 85 . 1 1 9 9 VAL HG11 H 1 1.056 0.03 . 2 . . . . 9 V HG11 . 17136 1 86 . 1 1 9 9 VAL HG12 H 1 1.056 0.03 . 2 . . . . 9 V HG11 . 17136 1 87 . 1 1 9 9 VAL HG13 H 1 1.056 0.03 . 2 . . . . 9 V HG11 . 17136 1 88 . 1 1 9 9 VAL HG21 H 1 1.154 0.03 . 2 . . . . 9 V HG21 . 17136 1 89 . 1 1 9 9 VAL HG22 H 1 1.154 0.03 . 2 . . . . 9 V HG21 . 17136 1 90 . 1 1 9 9 VAL HG23 H 1 1.154 0.03 . 2 . . . . 9 V HG21 . 17136 1 91 . 1 1 9 9 VAL CA C 13 66.110 0.3 . 1 . . . . 9 V CA . 17136 1 92 . 1 1 9 9 VAL CB C 13 31.820 0.3 . 1 . . . . 9 V CB . 17136 1 93 . 1 1 9 9 VAL CG1 C 13 20.808 0.3 . 1 . . . . 9 V CG1 . 17136 1 94 . 1 1 9 9 VAL CG2 C 13 23.083 0.3 . 1 . . . . 9 V CG2 . 17136 1 95 . 1 1 9 9 VAL N N 15 114.450 0.3 . 1 . . . . 9 V N . 17136 1 96 . 1 1 10 10 ALA H H 1 8.313 0.03 . 1 . . . . 10 A HN . 17136 1 97 . 1 1 10 10 ALA HA H 1 4.208 0.03 . 1 . . . . 10 A HA . 17136 1 98 . 1 1 10 10 ALA HB1 H 1 1.483 0.03 . 1 . . . . 10 A HB1 . 17136 1 99 . 1 1 10 10 ALA HB2 H 1 1.483 0.03 . 1 . . . . 10 A HB1 . 17136 1 100 . 1 1 10 10 ALA HB3 H 1 1.483 0.03 . 1 . . . . 10 A HB1 . 17136 1 101 . 1 1 10 10 ALA CA C 13 55.880 0.3 . 1 . . . . 10 A CA . 17136 1 102 . 1 1 10 10 ALA CB C 13 17.810 0.3 . 1 . . . . 10 A CB . 17136 1 103 . 1 1 10 10 ALA N N 15 125.460 0.3 . 1 . . . . 10 A N . 17136 1 104 . 1 1 11 11 ASP H H 1 8.500 0.03 . 1 . . . . 11 D HN . 17136 1 105 . 1 1 11 11 ASP HA H 1 4.420 0.03 . 1 . . . . 11 D HA . 17136 1 106 . 1 1 11 11 ASP HB2 H 1 2.526 0.03 . 2 . . . . 11 D HB1 . 17136 1 107 . 1 1 11 11 ASP HB3 H 1 2.750 0.03 . 2 . . . . 11 D HB2 . 17136 1 108 . 1 1 11 11 ASP CA C 13 57.040 0.3 . 1 . . . . 11 D CA . 17136 1 109 . 1 1 11 11 ASP CB C 13 40.120 0.3 . 1 . . . . 11 D CB . 17136 1 110 . 1 1 11 11 ASP N N 15 121.470 0.3 . 1 . . . . 11 D N . 17136 1 111 . 1 1 12 12 ALA H H 1 8.452 0.03 . 1 . . . . 12 A HN . 17136 1 112 . 1 1 12 12 ALA HA H 1 3.904 0.03 . 1 . . . . 12 A HA . 17136 1 113 . 1 1 12 12 ALA HB1 H 1 1.522 0.03 . 1 . . . . 12 A HB1 . 17136 1 114 . 1 1 12 12 ALA HB2 H 1 1.522 0.03 . 1 . . . . 12 A HB1 . 17136 1 115 . 1 1 12 12 ALA HB3 H 1 1.522 0.03 . 1 . . . . 12 A HB1 . 17136 1 116 . 1 1 12 12 ALA CA C 13 55.160 0.3 . 1 . . . . 12 A CA . 17136 1 117 . 1 1 12 12 ALA CB C 13 18.820 0.3 . 1 . . . . 12 A CB . 17136 1 118 . 1 1 12 12 ALA N N 15 122.480 0.3 . 1 . . . . 12 A N . 17136 1 119 . 1 1 13 13 HIS H H 1 8.798 0.03 . 1 . . . . 13 H HN . 17136 1 120 . 1 1 13 13 HIS HA H 1 3.897 0.03 . 1 . . . . 13 H HA . 17136 1 121 . 1 1 13 13 HIS HB2 H 1 2.622 0.03 . 2 . . . . 13 H HB1 . 17136 1 122 . 1 1 13 13 HIS HB3 H 1 2.964 0.03 . 2 . . . . 13 H HB2 . 17136 1 123 . 1 1 13 13 HIS CA C 13 61.130 0.3 . 1 . . . . 13 H CA . 17136 1 124 . 1 1 13 13 HIS CB C 13 29.070 0.3 . 1 . . . . 13 H CB . 17136 1 125 . 1 1 13 13 HIS N N 15 116.920 0.3 . 1 . . . . 13 H N . 17136 1 126 . 1 1 14 14 GLN H H 1 7.907 0.03 . 1 . . . . 14 Q HN . 17136 1 127 . 1 1 14 14 GLN HA H 1 3.986 0.03 . 1 . . . . 14 Q HA . 17136 1 128 . 1 1 14 14 GLN HB2 H 1 2.246 0.03 . 2 . . . . 14 Q HB1 . 17136 1 129 . 1 1 14 14 GLN HB3 H 1 2.246 0.03 . 2 . . . . 14 Q HB2 . 17136 1 130 . 1 1 14 14 GLN HE21 H 1 7.672 0.03 . 2 . . . . 14 Q HE21 . 17136 1 131 . 1 1 14 14 GLN HE22 H 1 6.781 0.03 . 2 . . . . 14 Q HE22 . 17136 1 132 . 1 1 14 14 GLN HG2 H 1 2.394 0.03 . 2 . . . . 14 Q HG1 . 17136 1 133 . 1 1 14 14 GLN HG3 H 1 2.394 0.03 . 2 . . . . 14 Q HG2 . 17136 1 134 . 1 1 14 14 GLN CA C 13 59.280 0.3 . 1 . . . . 14 Q CA . 17136 1 135 . 1 1 14 14 GLN CB C 13 27.690 0.3 . 1 . . . . 14 Q CB . 17136 1 136 . 1 1 14 14 GLN CG C 13 32.924 0.3 . 1 . . . . 14 Q CG . 17136 1 137 . 1 1 14 14 GLN N N 15 120.790 0.3 . 1 . . . . 14 Q N . 17136 1 138 . 1 1 14 14 GLN NE2 N 15 112.435 0.3 . 1 . . . . 14 Q NE2 . 17136 1 139 . 1 1 15 15 LYS H H 1 7.965 0.03 . 1 . . . . 15 K HN . 17136 1 140 . 1 1 15 15 LYS HA H 1 3.957 0.03 . 1 . . . . 15 K HA . 17136 1 141 . 1 1 15 15 LYS HB2 H 1 1.366 0.03 . 2 . . . . 15 K HB1 . 17136 1 142 . 1 1 15 15 LYS HB3 H 1 1.878 0.03 . 2 . . . . 15 K HB2 . 17136 1 143 . 1 1 15 15 LYS HD2 H 1 1.128 0.03 . 2 . . . . 15 K HD1 . 17136 1 144 . 1 1 15 15 LYS HD3 H 1 1.192 0.03 . 2 . . . . 15 K HD2 . 17136 1 145 . 1 1 15 15 LYS HE2 H 1 2.332 0.03 . 2 . . . . 15 K HE1 . 17136 1 146 . 1 1 15 15 LYS HE3 H 1 2.332 0.03 . 2 . . . . 15 K HE2 . 17136 1 147 . 1 1 15 15 LYS HG2 H 1 1.337 0.03 . 2 . . . . 15 K HG1 . 17136 1 148 . 1 1 15 15 LYS HG3 H 1 1.539 0.03 . 2 . . . . 15 K HG2 . 17136 1 149 . 1 1 15 15 LYS CA C 13 60.290 0.3 . 1 . . . . 15 K CA . 17136 1 150 . 1 1 15 15 LYS CB C 13 33.260 0.3 . 1 . . . . 15 K CB . 17136 1 151 . 1 1 15 15 LYS CD C 13 29.078 0.3 . 1 . . . . 15 K CD . 17136 1 152 . 1 1 15 15 LYS CE C 13 41.954 0.3 . 1 . . . . 15 K CE . 17136 1 153 . 1 1 15 15 LYS CG C 13 26.023 0.3 . 1 . . . . 15 K CG . 17136 1 154 . 1 1 15 15 LYS N N 15 118.080 0.3 . 1 . . . . 15 K N . 17136 1 155 . 1 1 16 16 LEU H H 1 7.900 0.03 . 1 . . . . 16 L HN . 17136 1 156 . 1 1 16 16 LEU HA H 1 4.124 0.03 . 1 . . . . 16 L HA . 17136 1 157 . 1 1 16 16 LEU HB2 H 1 1.552 0.03 . 2 . . . . 16 L HB1 . 17136 1 158 . 1 1 16 16 LEU HB3 H 1 1.655 0.03 . 2 . . . . 16 L HB2 . 17136 1 159 . 1 1 16 16 LEU HD11 H 1 0.746 0.03 . 2 . . . . 16 L HD11 . 17136 1 160 . 1 1 16 16 LEU HD12 H 1 0.746 0.03 . 2 . . . . 16 L HD11 . 17136 1 161 . 1 1 16 16 LEU HD13 H 1 0.746 0.03 . 2 . . . . 16 L HD11 . 17136 1 162 . 1 1 16 16 LEU HD21 H 1 0.780 0.03 . 2 . . . . 16 L HD21 . 17136 1 163 . 1 1 16 16 LEU HD22 H 1 0.780 0.03 . 2 . . . . 16 L HD21 . 17136 1 164 . 1 1 16 16 LEU HD23 H 1 0.780 0.03 . 2 . . . . 16 L HD21 . 17136 1 165 . 1 1 16 16 LEU HG H 1 1.555 0.03 . 1 . . . . 16 L HG . 17136 1 166 . 1 1 16 16 LEU CA C 13 57.630 0.3 . 1 . . . . 16 L CA . 17136 1 167 . 1 1 16 16 LEU CB C 13 42.220 0.3 . 1 . . . . 16 L CB . 17136 1 168 . 1 1 16 16 LEU CD1 C 13 25.417 0.3 . 1 . . . . 16 L CD1 . 17136 1 169 . 1 1 16 16 LEU CD2 C 13 24.058 0.3 . 1 . . . . 16 L CD2 . 17136 1 170 . 1 1 16 16 LEU CG C 13 26.730 0.3 . 1 . . . . 16 L CG . 17136 1 171 . 1 1 16 16 LEU N N 15 118.340 0.3 . 1 . . . . 16 L N . 17136 1 172 . 1 1 17 17 GLN H H 1 8.149 0.03 . 1 . . . . 17 Q HN . 17136 1 173 . 1 1 17 17 GLN HA H 1 3.875 0.03 . 1 . . . . 17 Q HA . 17136 1 174 . 1 1 17 17 GLN HB2 H 1 2.034 0.03 . 2 . . . . 17 Q HB1 . 17136 1 175 . 1 1 17 17 GLN HB3 H 1 2.054 0.03 . 2 . . . . 17 Q HB2 . 17136 1 176 . 1 1 17 17 GLN HE21 H 1 7.346 0.03 . 2 . . . . 17 Q HE21 . 17136 1 177 . 1 1 17 17 GLN HE22 H 1 6.809 0.03 . 2 . . . . 17 Q HE22 . 17136 1 178 . 1 1 17 17 GLN HG2 H 1 2.151 0.03 . 2 . . . . 17 Q HG1 . 17136 1 179 . 1 1 17 17 GLN HG3 H 1 2.151 0.03 . 2 . . . . 17 Q HG2 . 17136 1 180 . 1 1 17 17 GLN CA C 13 58.990 0.3 . 1 . . . . 17 Q CA . 17136 1 181 . 1 1 17 17 GLN CB C 13 28.720 0.3 . 1 . . . . 17 Q CB . 17136 1 182 . 1 1 17 17 GLN CG C 13 33.661 0.3 . 1 . . . . 17 Q CG . 17136 1 183 . 1 1 17 17 GLN N N 15 121.370 0.3 . 1 . . . . 17 Q N . 17136 1 184 . 1 1 17 17 GLN NE2 N 15 112.422 0.3 . 1 . . . . 17 Q NE2 . 17136 1 185 . 1 1 18 18 GLU H H 1 7.789 0.03 . 1 . . . . 18 E HN . 17136 1 186 . 1 1 18 18 GLU HA H 1 4.274 0.03 . 1 . . . . 18 E HA . 17136 1 187 . 1 1 18 18 GLU HB2 H 1 1.756 0.03 . 2 . . . . 18 E HB1 . 17136 1 188 . 1 1 18 18 GLU HB3 H 1 2.310 0.03 . 2 . . . . 18 E HB2 . 17136 1 189 . 1 1 18 18 GLU HG2 H 1 2.245 0.03 . 2 . . . . 18 E HG1 . 17136 1 190 . 1 1 18 18 GLU HG3 H 1 2.402 0.03 . 2 . . . . 18 E HG2 . 17136 1 191 . 1 1 18 18 GLU CA C 13 55.750 0.3 . 1 . . . . 18 E CA . 17136 1 192 . 1 1 18 18 GLU CB C 13 29.280 0.3 . 1 . . . . 18 E CB . 17136 1 193 . 1 1 18 18 GLU CG C 13 36.545 0.3 . 1 . . . . 18 E CG . 17136 1 194 . 1 1 18 18 GLU N N 15 115.070 0.3 . 1 . . . . 18 E N . 17136 1 195 . 1 1 19 19 LYS H H 1 7.808 0.03 . 1 . . . . 19 K HN . 17136 1 196 . 1 1 19 19 LYS HA H 1 4.046 0.03 . 1 . . . . 19 K HA . 17136 1 197 . 1 1 19 19 LYS HB2 H 1 1.959 0.03 . 2 . . . . 19 K HB1 . 17136 1 198 . 1 1 19 19 LYS HB3 H 1 2.035 0.03 . 2 . . . . 19 K HB2 . 17136 1 199 . 1 1 19 19 LYS HD2 H 1 1.654 0.03 . 2 . . . . 19 K HD1 . 17136 1 200 . 1 1 19 19 LYS HD3 H 1 1.724 0.03 . 2 . . . . 19 K HD2 . 17136 1 201 . 1 1 19 19 LYS HE2 H 1 2.999 0.03 . 2 . . . . 19 K HE1 . 17136 1 202 . 1 1 19 19 LYS HE3 H 1 2.999 0.03 . 2 . . . . 19 K HE2 . 17136 1 203 . 1 1 19 19 LYS HG2 H 1 1.357 0.03 . 2 . . . . 19 K HG1 . 17136 1 204 . 1 1 19 19 LYS HG3 H 1 1.357 0.03 . 2 . . . . 19 K HG2 . 17136 1 205 . 1 1 19 19 LYS CA C 13 57.350 0.3 . 1 . . . . 19 K CA . 17136 1 206 . 1 1 19 19 LYS CB C 13 28.620 0.3 . 1 . . . . 19 K CB . 17136 1 207 . 1 1 19 19 LYS CD C 13 29.012 0.3 . 1 . . . . 19 K CD . 17136 1 208 . 1 1 19 19 LYS CE C 13 42.258 0.3 . 1 . . . . 19 K CE . 17136 1 209 . 1 1 19 19 LYS CG C 13 24.939 0.3 . 1 . . . . 19 K CG . 17136 1 210 . 1 1 19 19 LYS N N 15 115.920 0.3 . 1 . . . . 19 K N . 17136 1 211 . 1 1 20 20 GLU H H 1 8.640 0.03 . 1 . . . . 20 E HN . 17136 1 212 . 1 1 20 20 GLU HA H 1 4.261 0.03 . 1 . . . . 20 E HA . 17136 1 213 . 1 1 20 20 GLU HB2 H 1 1.830 0.03 . 2 . . . . 20 E HB1 . 17136 1 214 . 1 1 20 20 GLU HB3 H 1 2.038 0.03 . 2 . . . . 20 E HB2 . 17136 1 215 . 1 1 20 20 GLU HG2 H 1 2.197 0.03 . 2 . . . . 20 E HG1 . 17136 1 216 . 1 1 20 20 GLU HG3 H 1 2.274 0.03 . 2 . . . . 20 E HG2 . 17136 1 217 . 1 1 20 20 GLU CA C 13 56.690 0.3 . 1 . . . . 20 E CA . 17136 1 218 . 1 1 20 20 GLU CB C 13 31.520 0.3 . 1 . . . . 20 E CB . 17136 1 219 . 1 1 20 20 GLU CG C 13 36.783 0.3 . 1 . . . . 20 E CG . 17136 1 220 . 1 1 20 20 GLU N N 15 116.470 0.3 . 1 . . . . 20 E N . 17136 1 221 . 1 1 21 21 ALA H H 1 7.192 0.03 . 1 . . . . 21 A HN . 17136 1 222 . 1 1 21 21 ALA HA H 1 4.801 0.03 . 1 . . . . 21 A HA . 17136 1 223 . 1 1 21 21 ALA HB1 H 1 1.195 0.03 . 1 . . . . 21 A HB1 . 17136 1 224 . 1 1 21 21 ALA HB2 H 1 1.195 0.03 . 1 . . . . 21 A HB1 . 17136 1 225 . 1 1 21 21 ALA HB3 H 1 1.195 0.03 . 1 . . . . 21 A HB1 . 17136 1 226 . 1 1 21 21 ALA CA C 13 50.540 0.3 . 1 . . . . 21 A CA . 17136 1 227 . 1 1 21 21 ALA CB C 13 23.270 0.3 . 1 . . . . 21 A CB . 17136 1 228 . 1 1 21 21 ALA N N 15 116.470 0.3 . 1 . . . . 21 A N . 17136 1 229 . 1 1 22 22 VAL H H 1 8.335 0.03 . 1 . . . . 22 V HN . 17136 1 230 . 1 1 22 22 VAL HA H 1 4.447 0.03 . 1 . . . . 22 V HA . 17136 1 231 . 1 1 22 22 VAL HB H 1 2.185 0.03 . 1 . . . . 22 V HB . 17136 1 232 . 1 1 22 22 VAL HG11 H 1 0.916 0.03 . 2 . . . . 22 V HG11 . 17136 1 233 . 1 1 22 22 VAL HG12 H 1 0.916 0.03 . 2 . . . . 22 V HG11 . 17136 1 234 . 1 1 22 22 VAL HG13 H 1 0.916 0.03 . 2 . . . . 22 V HG11 . 17136 1 235 . 1 1 22 22 VAL HG21 H 1 0.907 0.03 . 2 . . . . 22 V HG21 . 17136 1 236 . 1 1 22 22 VAL HG22 H 1 0.907 0.03 . 2 . . . . 22 V HG21 . 17136 1 237 . 1 1 22 22 VAL HG23 H 1 0.907 0.03 . 2 . . . . 22 V HG21 . 17136 1 238 . 1 1 22 22 VAL CA C 13 60.100 0.3 . 1 . . . . 22 V CA . 17136 1 239 . 1 1 22 22 VAL CB C 13 33.850 0.3 . 1 . . . . 22 V CB . 17136 1 240 . 1 1 22 22 VAL CG1 C 13 19.760 0.3 . 1 . . . . 22 V CG1 . 17136 1 241 . 1 1 22 22 VAL CG2 C 13 21.075 0.3 . 1 . . . . 22 V CG2 . 17136 1 242 . 1 1 22 22 VAL N N 15 114.280 0.3 . 1 . . . . 22 V N . 17136 1 243 . 1 1 23 23 LEU H H 1 8.796 0.03 . 1 . . . . 23 L HN . 17136 1 244 . 1 1 23 23 LEU HA H 1 5.138 0.03 . 1 . . . . 23 L HA . 17136 1 245 . 1 1 23 23 LEU HB2 H 1 1.027 0.03 . 2 . . . . 23 L HB1 . 17136 1 246 . 1 1 23 23 LEU HB3 H 1 1.624 0.03 . 2 . . . . 23 L HB2 . 17136 1 247 . 1 1 23 23 LEU HD11 H 1 0.269 0.03 . 2 . . . . 23 L HD11 . 17136 1 248 . 1 1 23 23 LEU HD12 H 1 0.269 0.03 . 2 . . . . 23 L HD11 . 17136 1 249 . 1 1 23 23 LEU HD13 H 1 0.269 0.03 . 2 . . . . 23 L HD11 . 17136 1 250 . 1 1 23 23 LEU HD21 H 1 0.641 0.03 . 2 . . . . 23 L HD21 . 17136 1 251 . 1 1 23 23 LEU HD22 H 1 0.641 0.03 . 2 . . . . 23 L HD21 . 17136 1 252 . 1 1 23 23 LEU HD23 H 1 0.641 0.03 . 2 . . . . 23 L HD21 . 17136 1 253 . 1 1 23 23 LEU HG H 1 1.087 0.03 . 1 . . . . 23 L HG . 17136 1 254 . 1 1 23 23 LEU CA C 13 53.780 0.3 . 1 . . . . 23 L CA . 17136 1 255 . 1 1 23 23 LEU CB C 13 45.950 0.3 . 1 . . . . 23 L CB . 17136 1 256 . 1 1 23 23 LEU CD1 C 13 27.014 0.3 . 1 . . . . 23 L CD1 . 17136 1 257 . 1 1 23 23 LEU CD2 C 13 25.153 0.3 . 1 . . . . 23 L CD2 . 17136 1 258 . 1 1 23 23 LEU CG C 13 27.820 0.3 . 1 . . . . 23 L CG . 17136 1 259 . 1 1 23 23 LEU N N 15 125.140 0.3 . 1 . . . . 23 L N . 17136 1 260 . 1 1 24 24 VAL H H 1 9.142 0.03 . 1 . . . . 24 V HN . 17136 1 261 . 1 1 24 24 VAL HA H 1 5.447 0.03 . 1 . . . . 24 V HA . 17136 1 262 . 1 1 24 24 VAL HB H 1 1.809 0.03 . 1 . . . . 24 V HB . 17136 1 263 . 1 1 24 24 VAL HG11 H 1 0.528 0.03 . 2 . . . . 24 V HG11 . 17136 1 264 . 1 1 24 24 VAL HG12 H 1 0.528 0.03 . 2 . . . . 24 V HG11 . 17136 1 265 . 1 1 24 24 VAL HG13 H 1 0.528 0.03 . 2 . . . . 24 V HG11 . 17136 1 266 . 1 1 24 24 VAL HG21 H 1 0.254 0.03 . 2 . . . . 24 V HG21 . 17136 1 267 . 1 1 24 24 VAL HG22 H 1 0.254 0.03 . 2 . . . . 24 V HG21 . 17136 1 268 . 1 1 24 24 VAL HG23 H 1 0.254 0.03 . 2 . . . . 24 V HG21 . 17136 1 269 . 1 1 24 24 VAL CA C 13 57.790 0.3 . 1 . . . . 24 V CA . 17136 1 270 . 1 1 24 24 VAL CB C 13 33.870 0.3 . 1 . . . . 24 V CB . 17136 1 271 . 1 1 24 24 VAL CG1 C 13 19.911 0.3 . 1 . . . . 24 V CG1 . 17136 1 272 . 1 1 24 24 VAL CG2 C 13 23.021 0.3 . 1 . . . . 24 V CG2 . 17136 1 273 . 1 1 24 24 VAL N N 15 119.310 0.3 . 1 . . . . 24 V N . 17136 1 274 . 1 1 25 25 ASP H H 1 8.667 0.03 . 1 . . . . 25 D HN . 17136 1 275 . 1 1 25 25 ASP HA H 1 5.526 0.03 . 1 . . . . 25 D HA . 17136 1 276 . 1 1 25 25 ASP HB2 H 1 2.176 0.03 . 2 . . . . 25 D HB1 . 17136 1 277 . 1 1 25 25 ASP HB3 H 1 2.780 0.03 . 2 . . . . 25 D HB2 . 17136 1 278 . 1 1 25 25 ASP CA C 13 51.480 0.3 . 1 . . . . 25 D CA . 17136 1 279 . 1 1 25 25 ASP CB C 13 44.430 0.3 . 1 . . . . 25 D CB . 17136 1 280 . 1 1 25 25 ASP N N 15 123.780 0.3 . 1 . . . . 25 D N . 17136 1 281 . 1 1 26 26 ILE H H 1 7.727 0.03 . 1 . . . . 26 I HN . 17136 1 282 . 1 1 26 26 ILE HA H 1 5.051 0.03 . 1 . . . . 26 I HA . 17136 1 283 . 1 1 26 26 ILE HB H 1 2.241 0.03 . 1 . . . . 26 I HB . 17136 1 284 . 1 1 26 26 ILE HD11 H 1 0.579 0.03 . 1 . . . . 26 I HD11 . 17136 1 285 . 1 1 26 26 ILE HD12 H 1 0.579 0.03 . 1 . . . . 26 I HD11 . 17136 1 286 . 1 1 26 26 ILE HD13 H 1 0.579 0.03 . 1 . . . . 26 I HD11 . 17136 1 287 . 1 1 26 26 ILE HG12 H 1 0.809 0.03 . 1 . . . . 26 I HG11 . 17136 1 288 . 1 1 26 26 ILE HG13 H 1 0.973 0.03 . 1 . . . . 26 I HG12 . 17136 1 289 . 1 1 26 26 ILE HG21 H 1 0.634 0.03 . 1 . . . . 26 I HG21 . 17136 1 290 . 1 1 26 26 ILE HG22 H 1 0.634 0.03 . 1 . . . . 26 I HG21 . 17136 1 291 . 1 1 26 26 ILE HG23 H 1 0.634 0.03 . 1 . . . . 26 I HG21 . 17136 1 292 . 1 1 26 26 ILE CA C 13 60.000 0.3 . 1 . . . . 26 I CA . 17136 1 293 . 1 1 26 26 ILE CB C 13 37.750 0.3 . 1 . . . . 26 I CB . 17136 1 294 . 1 1 26 26 ILE CD1 C 13 14.955 0.3 . 1 . . . . 26 I CD1 . 17136 1 295 . 1 1 26 26 ILE CG1 C 13 26.018 0.3 . 1 . . . . 26 I CG1 . 17136 1 296 . 1 1 26 26 ILE CG2 C 13 18.053 0.3 . 1 . . . . 26 I CG2 . 17136 1 297 . 1 1 26 26 ILE N N 15 115.950 0.3 . 1 . . . . 26 I N . 17136 1 298 . 1 1 27 27 ARG H H 1 8.464 0.03 . 1 . . . . 27 R HN . 17136 1 299 . 1 1 27 27 ARG HA H 1 3.990 0.03 . 1 . . . . 27 R HA . 17136 1 300 . 1 1 27 27 ARG HB2 H 1 1.479 0.03 . 2 . . . . 27 R HB1 . 17136 1 301 . 1 1 27 27 ARG HB3 H 1 1.749 0.03 . 2 . . . . 27 R HB2 . 17136 1 302 . 1 1 27 27 ARG HD2 H 1 2.629 0.03 . 2 . . . . 27 R HD1 . 17136 1 303 . 1 1 27 27 ARG HD3 H 1 2.756 0.03 . 2 . . . . 27 R HD2 . 17136 1 304 . 1 1 27 27 ARG HE H 1 8.190 0.03 . 1 . . . . 27 R HE . 17136 1 305 . 1 1 27 27 ARG HG2 H 1 1.463 0.03 . 2 . . . . 27 R HG1 . 17136 1 306 . 1 1 27 27 ARG HG3 H 1 1.463 0.03 . 2 . . . . 27 R HG2 . 17136 1 307 . 1 1 27 27 ARG CA C 13 56.760 0.3 . 1 . . . . 27 R CA . 17136 1 308 . 1 1 27 27 ARG CB C 13 31.730 0.3 . 1 . . . . 27 R CB . 17136 1 309 . 1 1 27 27 ARG CD C 13 43.698 0.3 . 1 . . . . 27 R CD . 17136 1 310 . 1 1 27 27 ARG CG C 13 26.877 0.3 . 1 . . . . 27 R CG . 17136 1 311 . 1 1 27 27 ARG N N 15 122.090 0.3 . 1 . . . . 27 R N . 17136 1 312 . 1 1 27 27 ARG NE N 15 109.217 0.3 . 1 . . . . 27 R NE . 17136 1 313 . 1 1 28 28 ASP H H 1 7.876 0.03 . 1 . . . . 28 D HN . 17136 1 314 . 1 1 28 28 ASP HA H 1 4.870 0.03 . 1 . . . . 28 D HA . 17136 1 315 . 1 1 28 28 ASP HB2 H 1 2.754 0.03 . 2 . . . . 28 D HB1 . 17136 1 316 . 1 1 28 28 ASP HB3 H 1 3.059 0.03 . 2 . . . . 28 D HB2 . 17136 1 317 . 1 1 28 28 ASP CA C 13 53.350 0.3 . 1 . . . . 28 D CA . 17136 1 318 . 1 1 28 28 ASP CB C 13 39.900 0.3 . 1 . . . . 28 D CB . 17136 1 319 . 1 1 28 28 ASP N N 15 117.050 0.3 . 1 . . . . 28 D N . 17136 1 320 . 1 1 29 29 PRO HA H 1 3.855 0.03 . 1 . . . . 29 P HA . 17136 1 321 . 1 1 29 29 PRO HB2 H 1 2.032 0.03 . 2 . . . . 29 P HB1 . 17136 1 322 . 1 1 29 29 PRO HB3 H 1 2.424 0.03 . 2 . . . . 29 P HB2 . 17136 1 323 . 1 1 29 29 PRO HD2 H 1 3.935 0.03 . 2 . . . . 29 P HD1 . 17136 1 324 . 1 1 29 29 PRO HD3 H 1 3.955 0.03 . 2 . . . . 29 P HD2 . 17136 1 325 . 1 1 29 29 PRO HG2 H 1 2.075 0.03 . 2 . . . . 29 P HG1 . 17136 1 326 . 1 1 29 29 PRO HG3 H 1 2.285 0.03 . 2 . . . . 29 P HG2 . 17136 1 327 . 1 1 29 29 PRO CA C 13 66.030 0.3 . 1 . . . . 29 P CA . 17136 1 328 . 1 1 29 29 PRO CB C 13 31.910 0.3 . 1 . . . . 29 P CB . 17136 1 329 . 1 1 29 29 PRO CD C 13 50.253 0.3 . 1 . . . . 29 P CD . 17136 1 330 . 1 1 29 29 PRO CG C 13 28.123 0.3 . 1 . . . . 29 P CG . 17136 1 331 . 1 1 30 30 GLN H H 1 8.185 0.03 . 1 . . . . 30 Q HN . 17136 1 332 . 1 1 30 30 GLN HA H 1 4.086 0.03 . 1 . . . . 30 Q HA . 17136 1 333 . 1 1 30 30 GLN HB2 H 1 2.067 0.03 . 2 . . . . 30 Q HB1 . 17136 1 334 . 1 1 30 30 GLN HB3 H 1 2.173 0.03 . 2 . . . . 30 Q HB2 . 17136 1 335 . 1 1 30 30 GLN HE21 H 1 7.392 0.03 . 2 . . . . 30 Q HE21 . 17136 1 336 . 1 1 30 30 GLN HE22 H 1 6.797 0.03 . 2 . . . . 30 Q HE22 . 17136 1 337 . 1 1 30 30 GLN HG2 H 1 2.366 0.03 . 2 . . . . 30 Q HG1 . 17136 1 338 . 1 1 30 30 GLN HG3 H 1 2.382 0.03 . 2 . . . . 30 Q HG2 . 17136 1 339 . 1 1 30 30 GLN CA C 13 59.620 0.3 . 1 . . . . 30 Q CA . 17136 1 340 . 1 1 30 30 GLN CB C 13 27.760 0.3 . 1 . . . . 30 Q CB . 17136 1 341 . 1 1 30 30 GLN CG C 13 34.472 0.3 . 1 . . . . 30 Q CG . 17136 1 342 . 1 1 30 30 GLN N N 15 119.390 0.3 . 1 . . . . 30 Q N . 17136 1 343 . 1 1 30 30 GLN NE2 N 15 110.971 0.3 . 1 . . . . 30 Q NE2 . 17136 1 344 . 1 1 31 31 SER H H 1 8.500 0.03 . 1 . . . . 31 S HN . 17136 1 345 . 1 1 31 31 SER HA H 1 4.089 0.03 . 1 . . . . 31 S HA . 17136 1 346 . 1 1 31 31 SER HB2 H 1 3.721 0.03 . 2 . . . . 31 S HB1 . 17136 1 347 . 1 1 31 31 SER HB3 H 1 3.834 0.03 . 2 . . . . 31 S HB2 . 17136 1 348 . 1 1 31 31 SER CA C 13 62.170 0.3 . 1 . . . . 31 S CA . 17136 1 349 . 1 1 31 31 SER CB C 13 62.090 0.3 . 1 . . . . 31 S CB . 17136 1 350 . 1 1 31 31 SER N N 15 118.660 0.3 . 1 . . . . 31 S N . 17136 1 351 . 1 1 32 32 PHE H H 1 8.149 0.03 . 1 . . . . 32 F HN . 17136 1 352 . 1 1 32 32 PHE HA H 1 3.544 0.03 . 1 . . . . 32 F HA . 17136 1 353 . 1 1 32 32 PHE HB2 H 1 2.035 0.03 . 2 . . . . 32 F HB1 . 17136 1 354 . 1 1 32 32 PHE HB3 H 1 2.232 0.03 . 2 . . . . 32 F HB2 . 17136 1 355 . 1 1 32 32 PHE CA C 13 62.120 0.3 . 1 . . . . 32 F CA . 17136 1 356 . 1 1 32 32 PHE CB C 13 39.340 0.3 . 1 . . . . 32 F CB . 17136 1 357 . 1 1 32 32 PHE N N 15 120.560 0.3 . 1 . . . . 32 F N . 17136 1 358 . 1 1 33 33 ALA H H 1 8.008 0.03 . 1 . . . . 33 A HN . 17136 1 359 . 1 1 33 33 ALA HA H 1 4.014 0.03 . 1 . . . . 33 A HA . 17136 1 360 . 1 1 33 33 ALA HB1 H 1 1.459 0.03 . 1 . . . . 33 A HB1 . 17136 1 361 . 1 1 33 33 ALA HB2 H 1 1.459 0.03 . 1 . . . . 33 A HB1 . 17136 1 362 . 1 1 33 33 ALA HB3 H 1 1.459 0.03 . 1 . . . . 33 A HB1 . 17136 1 363 . 1 1 33 33 ALA CA C 13 54.430 0.3 . 1 . . . . 33 A CA . 17136 1 364 . 1 1 33 33 ALA CB C 13 17.770 0.3 . 1 . . . . 33 A CB . 17136 1 365 . 1 1 33 33 ALA N N 15 123.000 0.3 . 1 . . . . 33 A N . 17136 1 366 . 1 1 34 34 MET H H 1 7.557 0.03 . 1 . . . . 34 M HN . 17136 1 367 . 1 1 34 34 MET HA H 1 4.351 0.03 . 1 . . . . 34 M HA . 17136 1 368 . 1 1 34 34 MET HB2 H 1 2.177 0.03 . 2 . . . . 34 M HB1 . 17136 1 369 . 1 1 34 34 MET HB3 H 1 2.293 0.03 . 2 . . . . 34 M HB2 . 17136 1 370 . 1 1 34 34 MET HE1 H 1 1.462 0.03 . 1 . . . . 34 M HE1 . 17136 1 371 . 1 1 34 34 MET HE2 H 1 1.462 0.03 . 1 . . . . 34 M HE1 . 17136 1 372 . 1 1 34 34 MET HE3 H 1 1.462 0.03 . 1 . . . . 34 M HE1 . 17136 1 373 . 1 1 34 34 MET HG2 H 1 2.651 0.03 . 2 . . . . 34 M HG1 . 17136 1 374 . 1 1 34 34 MET HG3 H 1 2.801 0.03 . 2 . . . . 34 M HG2 . 17136 1 375 . 1 1 34 34 MET CA C 13 56.740 0.3 . 1 . . . . 34 M CA . 17136 1 376 . 1 1 34 34 MET CB C 13 32.600 0.3 . 1 . . . . 34 M CB . 17136 1 377 . 1 1 34 34 MET CE C 13 17.768 0.3 . 1 . . . . 34 M CE . 17136 1 378 . 1 1 34 34 MET CG C 13 32.540 0.3 . 1 . . . . 34 M CG . 17136 1 379 . 1 1 34 34 MET N N 15 116.640 0.3 . 1 . . . . 34 M N . 17136 1 380 . 1 1 35 35 GLY H H 1 6.921 0.03 . 1 . . . . 35 G HN . 17136 1 381 . 1 1 35 35 GLY HA2 H 1 3.463 0.03 . 2 . . . . 35 G HA1 . 17136 1 382 . 1 1 35 35 GLY HA3 H 1 3.848 0.03 . 2 . . . . 35 G HA2 . 17136 1 383 . 1 1 35 35 GLY CA C 13 45.730 0.3 . 1 . . . . 35 G CA . 17136 1 384 . 1 1 35 35 GLY N N 15 107.280 0.3 . 1 . . . . 35 G N . 17136 1 385 . 1 1 36 36 HIS H H 1 8.106 0.03 . 1 . . . . 36 H HN . 17136 1 386 . 1 1 36 36 HIS HA H 1 3.720 0.03 . 1 . . . . 36 H HA . 17136 1 387 . 1 1 36 36 HIS HB2 H 1 1.754 0.03 . 2 . . . . 36 H HB1 . 17136 1 388 . 1 1 36 36 HIS HB3 H 1 2.362 0.03 . 2 . . . . 36 H HB2 . 17136 1 389 . 1 1 36 36 HIS CA C 13 53.620 0.3 . 1 . . . . 36 H CA . 17136 1 390 . 1 1 36 36 HIS CB C 13 30.850 0.3 . 1 . . . . 36 H CB . 17136 1 391 . 1 1 36 36 HIS N N 15 120.120 0.3 . 1 . . . . 36 H N . 17136 1 392 . 1 1 37 37 ALA H H 1 9.616 0.03 . 1 . . . . 37 A HN . 17136 1 393 . 1 1 37 37 ALA HA H 1 4.518 0.03 . 1 . . . . 37 A HA . 17136 1 394 . 1 1 37 37 ALA HB1 H 1 0.291 0.03 . 1 . . . . 37 A HB1 . 17136 1 395 . 1 1 37 37 ALA HB2 H 1 0.291 0.03 . 1 . . . . 37 A HB1 . 17136 1 396 . 1 1 37 37 ALA HB3 H 1 0.291 0.03 . 1 . . . . 37 A HB1 . 17136 1 397 . 1 1 37 37 ALA CA C 13 52.750 0.3 . 1 . . . . 37 A CA . 17136 1 398 . 1 1 37 37 ALA CB C 13 16.931 0.3 . 1 . . . . 37 A CB . 17136 1 399 . 1 1 37 37 ALA N N 15 125.480 0.3 . 1 . . . . 37 A N . 17136 1 400 . 1 1 38 38 VAL H H 1 8.777 0.03 . 1 . . . . 38 V HN . 17136 1 401 . 1 1 38 38 VAL HA H 1 3.551 0.03 . 1 . . . . 38 V HA . 17136 1 402 . 1 1 38 38 VAL HB H 1 1.929 0.03 . 1 . . . . 38 V HB . 17136 1 403 . 1 1 38 38 VAL HG11 H 1 0.958 0.03 . 2 . . . . 38 V HG11 . 17136 1 404 . 1 1 38 38 VAL HG12 H 1 0.958 0.03 . 2 . . . . 38 V HG11 . 17136 1 405 . 1 1 38 38 VAL HG13 H 1 0.958 0.03 . 2 . . . . 38 V HG11 . 17136 1 406 . 1 1 38 38 VAL HG21 H 1 0.958 0.03 . 2 . . . . 38 V HG21 . 17136 1 407 . 1 1 38 38 VAL HG22 H 1 0.958 0.03 . 2 . . . . 38 V HG21 . 17136 1 408 . 1 1 38 38 VAL HG23 H 1 0.958 0.03 . 2 . . . . 38 V HG21 . 17136 1 409 . 1 1 38 38 VAL CA C 13 65.240 0.3 . 1 . . . . 38 V CA . 17136 1 410 . 1 1 38 38 VAL CB C 13 31.930 0.3 . 1 . . . . 38 V CB . 17136 1 411 . 1 1 38 38 VAL CG1 C 13 20.985 0.3 . 1 . . . . 38 V CG1 . 17136 1 412 . 1 1 38 38 VAL CG2 C 13 20.985 0.3 . 1 . . . . 38 V CG2 . 17136 1 413 . 1 1 38 38 VAL N N 15 115.292 0.3 . 1 . . . . 38 V N . 17136 1 414 . 1 1 39 39 GLN H H 1 7.857 0.03 . 1 . . . . 39 Q HN . 17136 1 415 . 1 1 39 39 GLN HA H 1 4.097 0.03 . 1 . . . . 39 Q HA . 17136 1 416 . 1 1 39 39 GLN HB2 H 1 2.351 0.03 . 2 . . . . 39 Q HB1 . 17136 1 417 . 1 1 39 39 GLN HB3 H 1 2.351 0.03 . 2 . . . . 39 Q HB2 . 17136 1 418 . 1 1 39 39 GLN HE21 H 1 7.481 0.03 . 2 . . . . 39 Q HE21 . 17136 1 419 . 1 1 39 39 GLN HE22 H 1 6.853 0.03 . 2 . . . . 39 Q HE22 . 17136 1 420 . 1 1 39 39 GLN HG2 H 1 2.466 0.03 . 2 . . . . 39 Q HG1 . 17136 1 421 . 1 1 39 39 GLN HG3 H 1 2.466 0.03 . 2 . . . . 39 Q HG2 . 17136 1 422 . 1 1 39 39 GLN CA C 13 57.260 0.3 . 1 . . . . 39 Q CA . 17136 1 423 . 1 1 39 39 GLN CB C 13 27.950 0.3 . 1 . . . . 39 Q CB . 17136 1 424 . 1 1 39 39 GLN CG C 13 34.709 0.3 . 1 . . . . 39 Q CG . 17136 1 425 . 1 1 39 39 GLN N N 15 120.320 0.3 . 1 . . . . 39 Q N . 17136 1 426 . 1 1 39 39 GLN NE2 N 15 112.000 0.3 . 1 . . . . 39 Q NE2 . 17136 1 427 . 1 1 40 40 ALA H H 1 7.828 0.03 . 1 . . . . 40 A HN . 17136 1 428 . 1 1 40 40 ALA HA H 1 3.925 0.03 . 1 . . . . 40 A HA . 17136 1 429 . 1 1 40 40 ALA HB1 H 1 1.322 0.03 . 1 . . . . 40 A HB1 . 17136 1 430 . 1 1 40 40 ALA HB2 H 1 1.322 0.03 . 1 . . . . 40 A HB1 . 17136 1 431 . 1 1 40 40 ALA HB3 H 1 1.322 0.03 . 1 . . . . 40 A HB1 . 17136 1 432 . 1 1 40 40 ALA CA C 13 53.350 0.3 . 1 . . . . 40 A CA . 17136 1 433 . 1 1 40 40 ALA CB C 13 20.790 0.3 . 1 . . . . 40 A CB . 17136 1 434 . 1 1 40 40 ALA N N 15 121.110 0.3 . 1 . . . . 40 A N . 17136 1 435 . 1 1 41 41 PHE H H 1 8.596 0.03 . 1 . . . . 41 F HN . 17136 1 436 . 1 1 41 41 PHE HA H 1 4.538 0.03 . 1 . . . . 41 F HA . 17136 1 437 . 1 1 41 41 PHE HB2 H 1 3.116 0.03 . 2 . . . . 41 F HB1 . 17136 1 438 . 1 1 41 41 PHE HB3 H 1 3.229 0.03 . 2 . . . . 41 F HB2 . 17136 1 439 . 1 1 41 41 PHE CA C 13 56.770 0.3 . 1 . . . . 41 F CA . 17136 1 440 . 1 1 41 41 PHE CB C 13 40.940 0.3 . 1 . . . . 41 F CB . 17136 1 441 . 1 1 41 41 PHE N N 15 123.640 0.3 . 1 . . . . 41 F N . 17136 1 442 . 1 1 42 42 HIS H H 1 8.172 0.03 . 1 . . . . 42 H HN . 17136 1 443 . 1 1 42 42 HIS HA H 1 4.272 0.03 . 1 . . . . 42 H HA . 17136 1 444 . 1 1 42 42 HIS HB2 H 1 0.830 0.03 . 2 . . . . 42 H HB1 . 17136 1 445 . 1 1 42 42 HIS HB3 H 1 2.162 0.03 . 2 . . . . 42 H HB2 . 17136 1 446 . 1 1 42 42 HIS CA C 13 55.090 0.3 . 1 . . . . 42 H CA . 17136 1 447 . 1 1 42 42 HIS CB C 13 29.020 0.3 . 1 . . . . 42 H CB . 17136 1 448 . 1 1 42 42 HIS N N 15 128.870 0.3 . 1 . . . . 42 H N . 17136 1 449 . 1 1 43 43 LEU H H 1 8.473 0.03 . 1 . . . . 43 L HN . 17136 1 450 . 1 1 43 43 LEU HA H 1 4.219 0.03 . 1 . . . . 43 L HA . 17136 1 451 . 1 1 43 43 LEU HB2 H 1 0.709 0.03 . 2 . . . . 43 L HB1 . 17136 1 452 . 1 1 43 43 LEU HB3 H 1 1.611 0.03 . 2 . . . . 43 L HB2 . 17136 1 453 . 1 1 43 43 LEU HD11 H 1 0.642 0.03 . 2 . . . . 43 L HD11 . 17136 1 454 . 1 1 43 43 LEU HD12 H 1 0.642 0.03 . 2 . . . . 43 L HD11 . 17136 1 455 . 1 1 43 43 LEU HD13 H 1 0.642 0.03 . 2 . . . . 43 L HD11 . 17136 1 456 . 1 1 43 43 LEU HD21 H 1 0.655 0.03 . 2 . . . . 43 L HD21 . 17136 1 457 . 1 1 43 43 LEU HD22 H 1 0.655 0.03 . 2 . . . . 43 L HD21 . 17136 1 458 . 1 1 43 43 LEU HD23 H 1 0.655 0.03 . 2 . . . . 43 L HD21 . 17136 1 459 . 1 1 43 43 LEU HG H 1 0.293 0.03 . 1 . . . . 43 L HG . 17136 1 460 . 1 1 43 43 LEU CA C 13 54.000 0.3 . 1 . . . . 43 L CA . 17136 1 461 . 1 1 43 43 LEU CB C 13 44.460 0.3 . 1 . . . . 43 L CB . 17136 1 462 . 1 1 43 43 LEU CD1 C 13 25.091 0.3 . 1 . . . . 43 L CD1 . 17136 1 463 . 1 1 43 43 LEU CD2 C 13 23.500 0.3 . 1 . . . . 43 L CD2 . 17136 1 464 . 1 1 43 43 LEU CG C 13 26.403 0.3 . 1 . . . . 43 L CG . 17136 1 465 . 1 1 43 43 LEU N N 15 134.950 0.3 . 1 . . . . 43 L N . 17136 1 466 . 1 1 44 44 THR H H 1 8.000 0.03 . 1 . . . . 44 T HN . 17136 1 467 . 1 1 44 44 THR HA H 1 4.304 0.03 . 1 . . . . 44 T HA . 17136 1 468 . 1 1 44 44 THR HB H 1 4.364 0.03 . 1 . . . . 44 T HB . 17136 1 469 . 1 1 44 44 THR HG21 H 1 0.288 0.03 . 1 . . . . 44 T HG21 . 17136 1 470 . 1 1 44 44 THR HG22 H 1 0.288 0.03 . 1 . . . . 44 T HG21 . 17136 1 471 . 1 1 44 44 THR HG23 H 1 0.288 0.03 . 1 . . . . 44 T HG21 . 17136 1 472 . 1 1 44 44 THR CA C 13 58.320 0.3 . 1 . . . . 44 T CA . 17136 1 473 . 1 1 44 44 THR CB C 13 72.620 0.3 . 1 . . . . 44 T CB . 17136 1 474 . 1 1 44 44 THR CG2 C 13 19.899 0.3 . 1 . . . . 44 T CG2 . 17136 1 475 . 1 1 44 44 THR N N 15 116.860 0.3 . 1 . . . . 44 T N . 17136 1 476 . 1 1 45 45 ASN H H 1 8.974 0.03 . 1 . . . . 45 N HN . 17136 1 477 . 1 1 45 45 ASN HA H 1 4.251 0.03 . 1 . . . . 45 N HA . 17136 1 478 . 1 1 45 45 ASN HB2 H 1 2.666 0.03 . 2 . . . . 45 N HB1 . 17136 1 479 . 1 1 45 45 ASN HB3 H 1 2.697 0.03 . 2 . . . . 45 N HB2 . 17136 1 480 . 1 1 45 45 ASN HD21 H 1 7.572 0.03 . 2 . . . . 45 N HD21 . 17136 1 481 . 1 1 45 45 ASN HD22 H 1 6.780 0.03 . 2 . . . . 45 N HD22 . 17136 1 482 . 1 1 45 45 ASN CA C 13 57.200 0.3 . 1 . . . . 45 N CA . 17136 1 483 . 1 1 45 45 ASN CB C 13 38.100 0.3 . 1 . . . . 45 N CB . 17136 1 484 . 1 1 45 45 ASN N N 15 118.080 0.3 . 1 . . . . 45 N N . 17136 1 485 . 1 1 45 45 ASN ND2 N 15 112.675 0.3 . 1 . . . . 45 N ND2 . 17136 1 486 . 1 1 46 46 ASP H H 1 7.972 0.03 . 1 . . . . 46 D HN . 17136 1 487 . 1 1 46 46 ASP HA H 1 4.627 0.03 . 1 . . . . 46 D HA . 17136 1 488 . 1 1 46 46 ASP HB2 H 1 2.398 0.03 . 2 . . . . 46 D HB1 . 17136 1 489 . 1 1 46 46 ASP HB3 H 1 2.653 0.03 . 2 . . . . 46 D HB2 . 17136 1 490 . 1 1 46 46 ASP CA C 13 56.140 0.3 . 1 . . . . 46 D CA . 17136 1 491 . 1 1 46 46 ASP CB C 13 41.660 0.3 . 1 . . . . 46 D CB . 17136 1 492 . 1 1 46 46 ASP N N 15 115.580 0.3 . 1 . . . . 46 D N . 17136 1 493 . 1 1 47 47 THR H H 1 7.546 0.03 . 1 . . . . 47 T HN . 17136 1 494 . 1 1 47 47 THR HA H 1 4.670 0.03 . 1 . . . . 47 T HA . 17136 1 495 . 1 1 47 47 THR HB H 1 4.884 0.03 . 1 . . . . 47 T HB . 17136 1 496 . 1 1 47 47 THR HG21 H 1 1.012 0.03 . 1 . . . . 47 T HG21 . 17136 1 497 . 1 1 47 47 THR HG22 H 1 1.012 0.03 . 1 . . . . 47 T HG21 . 17136 1 498 . 1 1 47 47 THR HG23 H 1 1.012 0.03 . 1 . . . . 47 T HG21 . 17136 1 499 . 1 1 47 47 THR CA C 13 61.260 0.3 . 1 . . . . 47 T CA . 17136 1 500 . 1 1 47 47 THR CB C 13 70.080 0.3 . 1 . . . . 47 T CB . 17136 1 501 . 1 1 47 47 THR CG2 C 13 22.050 0.3 . 1 . . . . 47 T CG2 . 17136 1 502 . 1 1 47 47 THR N N 15 109.590 0.3 . 1 . . . . 47 T N . 17136 1 503 . 1 1 48 48 LEU H H 1 7.508 0.03 . 1 . . . . 48 L HN . 17136 1 504 . 1 1 48 48 LEU HA H 1 4.106 0.03 . 1 . . . . 48 L HA . 17136 1 505 . 1 1 48 48 LEU HB2 H 1 1.615 0.03 . 2 . . . . 48 L HB1 . 17136 1 506 . 1 1 48 48 LEU HB3 H 1 1.802 0.03 . 2 . . . . 48 L HB2 . 17136 1 507 . 1 1 48 48 LEU HD11 H 1 1.108 0.03 . 2 . . . . 48 L HD11 . 17136 1 508 . 1 1 48 48 LEU HD12 H 1 1.108 0.03 . 2 . . . . 48 L HD11 . 17136 1 509 . 1 1 48 48 LEU HD13 H 1 1.108 0.03 . 2 . . . . 48 L HD11 . 17136 1 510 . 1 1 48 48 LEU HD21 H 1 1.071 0.03 . 2 . . . . 48 L HD21 . 17136 1 511 . 1 1 48 48 LEU HD22 H 1 1.071 0.03 . 2 . . . . 48 L HD21 . 17136 1 512 . 1 1 48 48 LEU HD23 H 1 1.071 0.03 . 2 . . . . 48 L HD21 . 17136 1 513 . 1 1 48 48 LEU HG H 1 1.737 0.03 . 1 . . . . 48 L HG . 17136 1 514 . 1 1 48 48 LEU CA C 13 58.440 0.3 . 1 . . . . 48 L CA . 17136 1 515 . 1 1 48 48 LEU CB C 13 41.620 0.3 . 1 . . . . 48 L CB . 17136 1 516 . 1 1 48 48 LEU CD1 C 13 26.480 0.3 . 1 . . . . 48 L CD1 . 17136 1 517 . 1 1 48 48 LEU CD2 C 13 23.579 0.3 . 1 . . . . 48 L CD2 . 17136 1 518 . 1 1 48 48 LEU CG C 13 27.335 0.3 . 1 . . . . 48 L CG . 17136 1 519 . 1 1 48 48 LEU N N 15 124.340 0.3 . 1 . . . . 48 L N . 17136 1 520 . 1 1 49 49 GLY H H 1 8.831 0.03 . 1 . . . . 49 G HN . 17136 1 521 . 1 1 49 49 GLY HA2 H 1 3.730 0.03 . 2 . . . . 49 G HA1 . 17136 1 522 . 1 1 49 49 GLY HA3 H 1 3.805 0.03 . 2 . . . . 49 G HA2 . 17136 1 523 . 1 1 49 49 GLY CA C 13 47.320 0.3 . 1 . . . . 49 G CA . 17136 1 524 . 1 1 49 49 GLY N N 15 106.440 0.3 . 1 . . . . 49 G N . 17136 1 525 . 1 1 50 50 ALA H H 1 8.069 0.03 . 1 . . . . 50 A HN . 17136 1 526 . 1 1 50 50 ALA HA H 1 3.906 0.03 . 1 . . . . 50 A HA . 17136 1 527 . 1 1 50 50 ALA HB1 H 1 1.547 0.03 . 1 . . . . 50 A HB1 . 17136 1 528 . 1 1 50 50 ALA HB2 H 1 1.547 0.03 . 1 . . . . 50 A HB1 . 17136 1 529 . 1 1 50 50 ALA HB3 H 1 1.547 0.03 . 1 . . . . 50 A HB1 . 17136 1 530 . 1 1 50 50 ALA CA C 13 54.950 0.3 . 1 . . . . 50 A CA . 17136 1 531 . 1 1 50 50 ALA CB C 13 17.980 0.3 . 1 . . . . 50 A CB . 17136 1 532 . 1 1 50 50 ALA N N 15 126.340 0.3 . 1 . . . . 50 A N . 17136 1 533 . 1 1 51 51 PHE H H 1 8.466 0.03 . 1 . . . . 51 F HN . 17136 1 534 . 1 1 51 51 PHE HA H 1 3.428 0.03 . 1 . . . . 51 F HA . 17136 1 535 . 1 1 51 51 PHE HB2 H 1 2.932 0.03 . 2 . . . . 51 F HB1 . 17136 1 536 . 1 1 51 51 PHE HB3 H 1 3.064 0.03 . 2 . . . . 51 F HB2 . 17136 1 537 . 1 1 51 51 PHE CA C 13 62.510 0.3 . 1 . . . . 51 F CA . 17136 1 538 . 1 1 51 51 PHE CB C 13 39.150 0.3 . 1 . . . . 51 F CB . 17136 1 539 . 1 1 51 51 PHE N N 15 118.960 0.3 . 1 . . . . 51 F N . 17136 1 540 . 1 1 52 52 MET H H 1 8.612 0.03 . 1 . . . . 52 M HN . 17136 1 541 . 1 1 52 52 MET HA H 1 4.107 0.03 . 1 . . . . 52 M HA . 17136 1 542 . 1 1 52 52 MET HB2 H 1 2.063 0.03 . 2 . . . . 52 M HB1 . 17136 1 543 . 1 1 52 52 MET HB3 H 1 2.093 0.03 . 2 . . . . 52 M HB2 . 17136 1 544 . 1 1 52 52 MET HE1 H 1 2.316 0.03 . 1 . . . . 52 M HE1 . 17136 1 545 . 1 1 52 52 MET HE2 H 1 2.316 0.03 . 1 . . . . 52 M HE1 . 17136 1 546 . 1 1 52 52 MET HE3 H 1 2.316 0.03 . 1 . . . . 52 M HE1 . 17136 1 547 . 1 1 52 52 MET HG2 H 1 3.087 0.03 . 2 . . . . 52 M HG1 . 17136 1 548 . 1 1 52 52 MET HG3 H 1 3.087 0.03 . 2 . . . . 52 M HG2 . 17136 1 549 . 1 1 52 52 MET CA C 13 58.240 0.3 . 1 . . . . 52 M CA . 17136 1 550 . 1 1 52 52 MET CB C 13 33.200 0.3 . 1 . . . . 52 M CB . 17136 1 551 . 1 1 52 52 MET CE C 13 16.554 0.3 . 1 . . . . 52 M CE . 17136 1 552 . 1 1 52 52 MET CG C 13 32.405 0.3 . 1 . . . . 52 M CG . 17136 1 553 . 1 1 52 52 MET N N 15 116.760 0.3 . 1 . . . . 52 M N . 17136 1 554 . 1 1 53 53 ARG H H 1 7.633 0.03 . 1 . . . . 53 R HN . 17136 1 555 . 1 1 53 53 ARG HA H 1 3.847 0.03 . 1 . . . . 53 R HA . 17136 1 556 . 1 1 53 53 ARG HB2 H 1 1.783 0.03 . 2 . . . . 53 R HB1 . 17136 1 557 . 1 1 53 53 ARG HB3 H 1 1.889 0.03 . 2 . . . . 53 R HB2 . 17136 1 558 . 1 1 53 53 ARG HD2 H 1 3.086 0.03 . 2 . . . . 53 R HD1 . 17136 1 559 . 1 1 53 53 ARG HD3 H 1 3.167 0.03 . 2 . . . . 53 R HD2 . 17136 1 560 . 1 1 53 53 ARG HE H 1 7.332 0.03 . 1 . . . . 53 R HE . 17136 1 561 . 1 1 53 53 ARG HG2 H 1 1.424 0.03 . 2 . . . . 53 R HG1 . 17136 1 562 . 1 1 53 53 ARG HG3 H 1 1.677 0.03 . 2 . . . . 53 R HG2 . 17136 1 563 . 1 1 53 53 ARG CA C 13 58.480 0.3 . 1 . . . . 53 R CA . 17136 1 564 . 1 1 53 53 ARG CB C 13 30.080 0.3 . 1 . . . . 53 R CB . 17136 1 565 . 1 1 53 53 ARG CD C 13 43.466 0.3 . 1 . . . . 53 R CD . 17136 1 566 . 1 1 53 53 ARG CG C 13 26.579 0.3 . 1 . . . . 53 R CG . 17136 1 567 . 1 1 53 53 ARG N N 15 118.820 0.3 . 1 . . . . 53 R N . 17136 1 568 . 1 1 53 53 ARG NE N 15 113.411 0.3 . 1 . . . . 53 R NE . 17136 1 569 . 1 1 54 54 ASP H H 1 7.113 0.03 . 1 . . . . 54 D HN . 17136 1 570 . 1 1 54 54 ASP HA H 1 4.511 0.03 . 1 . . . . 54 D HA . 17136 1 571 . 1 1 54 54 ASP HB2 H 1 2.196 0.03 . 2 . . . . 54 D HB1 . 17136 1 572 . 1 1 54 54 ASP HB3 H 1 2.539 0.03 . 2 . . . . 54 D HB2 . 17136 1 573 . 1 1 54 54 ASP CA C 13 54.890 0.3 . 1 . . . . 54 D CA . 17136 1 574 . 1 1 54 54 ASP CB C 13 41.680 0.3 . 1 . . . . 54 D CB . 17136 1 575 . 1 1 54 54 ASP N N 15 115.130 0.3 . 1 . . . . 54 D N . 17136 1 576 . 1 1 55 55 ASN H H 1 7.225 0.03 . 1 . . . . 55 N HN . 17136 1 577 . 1 1 55 55 ASN HA H 1 4.734 0.03 . 1 . . . . 55 N HA . 17136 1 578 . 1 1 55 55 ASN HB2 H 1 1.582 0.03 . 2 . . . . 55 N HB1 . 17136 1 579 . 1 1 55 55 ASN HB3 H 1 1.694 0.03 . 2 . . . . 55 N HB2 . 17136 1 580 . 1 1 55 55 ASN HD21 H 1 6.511 0.03 . 2 . . . . 55 N HD21 . 17136 1 581 . 1 1 55 55 ASN HD22 H 1 6.389 0.03 . 2 . . . . 55 N HD22 . 17136 1 582 . 1 1 55 55 ASN CA C 13 51.980 0.3 . 1 . . . . 55 N CA . 17136 1 583 . 1 1 55 55 ASN CB C 13 39.660 0.3 . 1 . . . . 55 N CB . 17136 1 584 . 1 1 55 55 ASN N N 15 118.680 0.3 . 1 . . . . 55 N N . 17136 1 585 . 1 1 55 55 ASN ND2 N 15 117.735 0.3 . 1 . . . . 55 N ND2 . 17136 1 586 . 1 1 56 56 ASP H H 1 8.599 0.03 . 1 . . . . 56 D HN . 17136 1 587 . 1 1 56 56 ASP HA H 1 4.201 0.03 . 1 . . . . 56 D HA . 17136 1 588 . 1 1 56 56 ASP HB2 H 1 2.704 0.03 . 2 . . . . 56 D HB1 . 17136 1 589 . 1 1 56 56 ASP HB3 H 1 2.704 0.03 . 2 . . . . 56 D HB2 . 17136 1 590 . 1 1 56 56 ASP CA C 13 53.730 0.3 . 1 . . . . 56 D CA . 17136 1 591 . 1 1 56 56 ASP CB C 13 40.920 0.3 . 1 . . . . 56 D CB . 17136 1 592 . 1 1 56 56 ASP N N 15 123.910 0.3 . 1 . . . . 56 D N . 17136 1 593 . 1 1 57 57 PHE H H 1 8.064 0.03 . 1 . . . . 57 F HN . 17136 1 594 . 1 1 57 57 PHE HA H 1 4.206 0.03 . 1 . . . . 57 F HA . 17136 1 595 . 1 1 57 57 PHE HB2 H 1 2.577 0.03 . 2 . . . . 57 F HB1 . 17136 1 596 . 1 1 57 57 PHE HB3 H 1 3.320 0.03 . 2 . . . . 57 F HB2 . 17136 1 597 . 1 1 57 57 PHE CA C 13 59.180 0.3 . 1 . . . . 57 F CA . 17136 1 598 . 1 1 57 57 PHE CB C 13 37.900 0.3 . 1 . . . . 57 F CB . 17136 1 599 . 1 1 57 57 PHE N N 15 117.360 0.3 . 1 . . . . 57 F N . 17136 1 600 . 1 1 58 58 ASP H H 1 8.262 0.03 . 1 . . . . 58 D HN . 17136 1 601 . 1 1 58 58 ASP HA H 1 4.747 0.03 . 1 . . . . 58 D HA . 17136 1 602 . 1 1 58 58 ASP HB2 H 1 2.694 0.03 . 2 . . . . 58 D HB1 . 17136 1 603 . 1 1 58 58 ASP HB3 H 1 2.830 0.03 . 2 . . . . 58 D HB2 . 17136 1 604 . 1 1 58 58 ASP CA C 13 54.080 0.3 . 1 . . . . 58 D CA . 17136 1 605 . 1 1 58 58 ASP CB C 13 39.931 0.3 . 1 . . . . 58 D CB . 17136 1 606 . 1 1 58 58 ASP N N 15 117.930 0.3 . 1 . . . . 58 D N . 17136 1 607 . 1 1 59 59 THR H H 1 8.331 0.03 . 1 . . . . 59 T HN . 17136 1 608 . 1 1 59 59 THR HA H 1 4.385 0.03 . 1 . . . . 59 T HA . 17136 1 609 . 1 1 59 59 THR HB H 1 4.303 0.03 . 1 . . . . 59 T HB . 17136 1 610 . 1 1 59 59 THR HG21 H 1 1.234 0.03 . 1 . . . . 59 T HG21 . 17136 1 611 . 1 1 59 59 THR HG22 H 1 1.234 0.03 . 1 . . . . 59 T HG21 . 17136 1 612 . 1 1 59 59 THR HG23 H 1 1.234 0.03 . 1 . . . . 59 T HG21 . 17136 1 613 . 1 1 59 59 THR CA C 13 61.930 0.3 . 1 . . . . 59 T CA . 17136 1 614 . 1 1 59 59 THR CB C 13 70.670 0.3 . 1 . . . . 59 T CB . 17136 1 615 . 1 1 59 59 THR CG2 C 13 20.864 0.3 . 1 . . . . 59 T CG2 . 17136 1 616 . 1 1 59 59 THR N N 15 121.960 0.3 . 1 . . . . 59 T N . 17136 1 617 . 1 1 60 60 PRO HA H 1 5.006 0.03 . 1 . . . . 60 P HA . 17136 1 618 . 1 1 60 60 PRO HB2 H 1 2.177 0.03 . 2 . . . . 60 P HB1 . 17136 1 619 . 1 1 60 60 PRO HB3 H 1 2.347 0.03 . 2 . . . . 60 P HB2 . 17136 1 620 . 1 1 60 60 PRO HD2 H 1 3.737 0.03 . 2 . . . . 60 P HD1 . 17136 1 621 . 1 1 60 60 PRO HD3 H 1 4.553 0.03 . 2 . . . . 60 P HD2 . 17136 1 622 . 1 1 60 60 PRO HG2 H 1 1.860 0.03 . 2 . . . . 60 P HG1 . 17136 1 623 . 1 1 60 60 PRO HG3 H 1 2.419 0.03 . 2 . . . . 60 P HG2 . 17136 1 624 . 1 1 60 60 PRO CA C 13 62.740 0.3 . 1 . . . . 60 P CA . 17136 1 625 . 1 1 60 60 PRO CB C 13 32.080 0.3 . 1 . . . . 60 P CB . 17136 1 626 . 1 1 60 60 PRO CD C 13 51.709 0.3 . 1 . . . . 60 P CD . 17136 1 627 . 1 1 60 60 PRO CG C 13 28.857 0.3 . 1 . . . . 60 P CG . 17136 1 628 . 1 1 61 61 VAL H H 1 8.284 0.03 . 1 . . . . 61 V HN . 17136 1 629 . 1 1 61 61 VAL HA H 1 4.579 0.03 . 1 . . . . 61 V HA . 17136 1 630 . 1 1 61 61 VAL HB H 1 1.745 0.03 . 1 . . . . 61 V HB . 17136 1 631 . 1 1 61 61 VAL HG11 H 1 0.691 0.03 . 2 . . . . 61 V HG11 . 17136 1 632 . 1 1 61 61 VAL HG12 H 1 0.691 0.03 . 2 . . . . 61 V HG11 . 17136 1 633 . 1 1 61 61 VAL HG13 H 1 0.691 0.03 . 2 . . . . 61 V HG11 . 17136 1 634 . 1 1 61 61 VAL HG21 H 1 0.582 0.03 . 2 . . . . 61 V HG21 . 17136 1 635 . 1 1 61 61 VAL HG22 H 1 0.582 0.03 . 2 . . . . 61 V HG21 . 17136 1 636 . 1 1 61 61 VAL HG23 H 1 0.582 0.03 . 2 . . . . 61 V HG21 . 17136 1 637 . 1 1 61 61 VAL CA C 13 61.190 0.3 . 1 . . . . 61 V CA . 17136 1 638 . 1 1 61 61 VAL CB C 13 35.440 0.3 . 1 . . . . 61 V CB . 17136 1 639 . 1 1 61 61 VAL CG1 C 13 21.428 0.3 . 1 . . . . 61 V CG1 . 17136 1 640 . 1 1 61 61 VAL CG2 C 13 22.826 0.3 . 1 . . . . 61 V CG2 . 17136 1 641 . 1 1 61 61 VAL N N 15 123.790 0.3 . 1 . . . . 61 V N . 17136 1 642 . 1 1 62 62 MET H H 1 9.186 0.03 . 1 . . . . 62 M HN . 17136 1 643 . 1 1 62 62 MET HA H 1 5.264 0.03 . 1 . . . . 62 M HA . 17136 1 644 . 1 1 62 62 MET HB2 H 1 1.589 0.03 . 2 . . . . 62 M HB1 . 17136 1 645 . 1 1 62 62 MET HB3 H 1 2.184 0.03 . 2 . . . . 62 M HB2 . 17136 1 646 . 1 1 62 62 MET HE1 H 1 1.758 0.03 . 1 . . . . 62 M HE1 . 17136 1 647 . 1 1 62 62 MET HE2 H 1 1.758 0.03 . 1 . . . . 62 M HE1 . 17136 1 648 . 1 1 62 62 MET HE3 H 1 1.758 0.03 . 1 . . . . 62 M HE1 . 17136 1 649 . 1 1 62 62 MET HG2 H 1 2.112 0.03 . 2 . . . . 62 M HG1 . 17136 1 650 . 1 1 62 62 MET HG3 H 1 2.475 0.03 . 2 . . . . 62 M HG2 . 17136 1 651 . 1 1 62 62 MET CA C 13 53.600 0.3 . 1 . . . . 62 M CA . 17136 1 652 . 1 1 62 62 MET CB C 13 35.190 0.3 . 1 . . . . 62 M CB . 17136 1 653 . 1 1 62 62 MET CE C 13 15.900 0.3 . 1 . . . . 62 M CE . 17136 1 654 . 1 1 62 62 MET CG C 13 31.058 0.3 . 1 . . . . 62 M CG . 17136 1 655 . 1 1 62 62 MET N N 15 123.360 0.3 . 1 . . . . 62 M N . 17136 1 656 . 1 1 63 63 VAL H H 1 8.871 0.03 . 1 . . . . 63 V HN . 17136 1 657 . 1 1 63 63 VAL HA H 1 4.379 0.03 . 1 . . . . 63 V HA . 17136 1 658 . 1 1 63 63 VAL HB H 1 1.961 0.03 . 1 . . . . 63 V HB . 17136 1 659 . 1 1 63 63 VAL HG11 H 1 0.540 0.03 . 2 . . . . 63 V HG11 . 17136 1 660 . 1 1 63 63 VAL HG12 H 1 0.540 0.03 . 2 . . . . 63 V HG11 . 17136 1 661 . 1 1 63 63 VAL HG13 H 1 0.540 0.03 . 2 . . . . 63 V HG11 . 17136 1 662 . 1 1 63 63 VAL HG21 H 1 0.714 0.03 . 2 . . . . 63 V HG21 . 17136 1 663 . 1 1 63 63 VAL HG22 H 1 0.714 0.03 . 2 . . . . 63 V HG21 . 17136 1 664 . 1 1 63 63 VAL HG23 H 1 0.714 0.03 . 2 . . . . 63 V HG21 . 17136 1 665 . 1 1 63 63 VAL CA C 13 61.370 0.3 . 1 . . . . 63 V CA . 17136 1 666 . 1 1 63 63 VAL CB C 13 32.970 0.3 . 1 . . . . 63 V CB . 17136 1 667 . 1 1 63 63 VAL CG1 C 13 21.084 0.3 . 1 . . . . 63 V CG1 . 17136 1 668 . 1 1 63 63 VAL CG2 C 13 22.933 0.3 . 1 . . . . 63 V CG2 . 17136 1 669 . 1 1 63 63 VAL N N 15 122.590 0.3 . 1 . . . . 63 V N . 17136 1 670 . 1 1 64 64 MET H H 1 8.998 0.03 . 1 . . . . 64 M HN . 17136 1 671 . 1 1 64 64 MET HA H 1 5.583 0.03 . 1 . . . . 64 M HA . 17136 1 672 . 1 1 64 64 MET HB2 H 1 1.867 0.03 . 2 . . . . 64 M HB1 . 17136 1 673 . 1 1 64 64 MET HB3 H 1 1.888 0.03 . 2 . . . . 64 M HB2 . 17136 1 674 . 1 1 64 64 MET HE1 H 1 1.731 0.03 . 1 . . . . 64 M HE1 . 17136 1 675 . 1 1 64 64 MET HE2 H 1 1.731 0.03 . 1 . . . . 64 M HE1 . 17136 1 676 . 1 1 64 64 MET HE3 H 1 1.731 0.03 . 1 . . . . 64 M HE1 . 17136 1 677 . 1 1 64 64 MET HG2 H 1 2.200 0.03 . 2 . . . . 64 M HG1 . 17136 1 678 . 1 1 64 64 MET HG3 H 1 2.823 0.03 . 2 . . . . 64 M HG2 . 17136 1 679 . 1 1 64 64 MET CA C 13 53.770 0.3 . 1 . . . . 64 M CA . 17136 1 680 . 1 1 64 64 MET CB C 13 38.630 0.3 . 1 . . . . 64 M CB . 17136 1 681 . 1 1 64 64 MET CE C 13 16.880 0.3 . 1 . . . . 64 M CE . 17136 1 682 . 1 1 64 64 MET CG C 13 33.165 0.3 . 1 . . . . 64 M CG . 17136 1 683 . 1 1 64 64 MET N N 15 127.170 0.3 . 1 . . . . 64 M N . 17136 1 684 . 1 1 65 65 CYS H H 1 8.828 0.03 . 1 . . . . 65 C HN . 17136 1 685 . 1 1 65 65 CYS HA H 1 4.799 0.03 . 1 . . . . 65 C HA . 17136 1 686 . 1 1 65 65 CYS HB2 H 1 2.512 0.03 . 2 . . . . 65 C HB1 . 17136 1 687 . 1 1 65 65 CYS HB3 H 1 3.177 0.03 . 2 . . . . 65 C HB2 . 17136 1 688 . 1 1 65 65 CYS CA C 13 57.410 0.3 . 1 . . . . 65 C CA . 17136 1 689 . 1 1 65 65 CYS CB C 13 30.380 0.3 . 1 . . . . 65 C CB . 17136 1 690 . 1 1 65 65 CYS N N 15 124.810 0.3 . 1 . . . . 65 C N . 17136 1 691 . 1 1 66 66 TYR H H 1 8.106 0.03 . 1 . . . . 66 Y HN . 17136 1 692 . 1 1 66 66 TYR CA C 13 57.612 0.3 . 1 . . . . 66 Y CA . 17136 1 693 . 1 1 66 66 TYR CB C 13 41.800 0.3 . 1 . . . . 66 Y CB . 17136 1 694 . 1 1 66 66 TYR N N 15 122.540 0.3 . 1 . . . . 66 Y N . 17136 1 695 . 1 1 67 67 HIS H H 1 8.966 0.03 . 1 . . . . 67 H HN . 17136 1 696 . 1 1 67 67 HIS HA H 1 5.081 0.03 . 1 . . . . 67 H HA . 17136 1 697 . 1 1 67 67 HIS HB2 H 1 3.287 0.03 . 2 . . . . 67 H HB1 . 17136 1 698 . 1 1 67 67 HIS HB3 H 1 3.454 0.03 . 2 . . . . 67 H HB2 . 17136 1 699 . 1 1 67 67 HIS CA C 13 56.110 0.3 . 1 . . . . 67 H CA . 17136 1 700 . 1 1 67 67 HIS CB C 13 31.810 0.3 . 1 . . . . 67 H CB . 17136 1 701 . 1 1 67 67 HIS N N 15 114.768 0.3 . 1 . . . . 67 H N . 17136 1 702 . 1 1 68 68 GLY H H 1 8.994 0.03 . 1 . . . . 68 G HN . 17136 1 703 . 1 1 68 68 GLY HA2 H 1 4.325 0.03 . 2 . . . . 68 G HA1 . 17136 1 704 . 1 1 68 68 GLY HA3 H 1 4.630 0.03 . 2 . . . . 68 G HA2 . 17136 1 705 . 1 1 68 68 GLY CA C 13 45.620 0.3 . 1 . . . . 68 G CA . 17136 1 706 . 1 1 68 68 GLY N N 15 112.420 0.3 . 1 . . . . 68 G N . 17136 1 707 . 1 1 69 69 ASN H H 1 8.344 0.03 . 1 . . . . 69 N HN . 17136 1 708 . 1 1 69 69 ASN HA H 1 4.931 0.03 . 1 . . . . 69 N HA . 17136 1 709 . 1 1 69 69 ASN HB2 H 1 2.920 0.03 . 2 . . . . 69 N HB1 . 17136 1 710 . 1 1 69 69 ASN HB3 H 1 3.067 0.03 . 2 . . . . 69 N HB2 . 17136 1 711 . 1 1 69 69 ASN HD21 H 1 8.062 0.03 . 2 . . . . 69 N HD21 . 17136 1 712 . 1 1 69 69 ASN HD22 H 1 7.143 0.03 . 2 . . . . 69 N HD22 . 17136 1 713 . 1 1 69 69 ASN CA C 13 55.490 0.3 . 1 . . . . 69 N CA . 17136 1 714 . 1 1 69 69 ASN CB C 13 39.470 0.3 . 1 . . . . 69 N CB . 17136 1 715 . 1 1 69 69 ASN N N 15 116.500 0.3 . 1 . . . . 69 N N . 17136 1 716 . 1 1 69 69 ASN ND2 N 15 115.860 0.3 . 1 . . . . 69 N ND2 . 17136 1 717 . 1 1 70 70 SER H H 1 9.268 0.03 . 1 . . . . 70 S HN . 17136 1 718 . 1 1 70 70 SER HA H 1 4.489 0.03 . 1 . . . . 70 S HA . 17136 1 719 . 1 1 70 70 SER HB2 H 1 4.006 0.03 . 2 . . . . 70 S HB1 . 17136 1 720 . 1 1 70 70 SER HB3 H 1 4.209 0.03 . 2 . . . . 70 S HB2 . 17136 1 721 . 1 1 70 70 SER CA C 13 61.980 0.3 . 1 . . . . 70 S CA . 17136 1 722 . 1 1 70 70 SER CB C 13 62.810 0.3 . 1 . . . . 70 S CB . 17136 1 723 . 1 1 70 70 SER N N 15 123.249 0.3 . 1 . . . . 70 S N . 17136 1 724 . 1 1 71 71 SER H H 1 10.434 0.03 . 1 . . . . 71 S HN . 17136 1 725 . 1 1 71 71 SER HA H 1 3.690 0.03 . 1 . . . . 71 S HA . 17136 1 726 . 1 1 71 71 SER HB2 H 1 3.629 0.03 . 2 . . . . 71 S HB1 . 17136 1 727 . 1 1 71 71 SER HB3 H 1 3.748 0.03 . 2 . . . . 71 S HB2 . 17136 1 728 . 1 1 71 71 SER CA C 13 61.160 0.3 . 1 . . . . 71 S CA . 17136 1 729 . 1 1 71 71 SER CB C 13 62.080 0.3 . 1 . . . . 71 S CB . 17136 1 730 . 1 1 71 71 SER N N 15 122.312 0.3 . 1 . . . . 71 S N . 17136 1 731 . 1 1 72 72 LYS H H 1 7.164 0.03 . 1 . . . . 72 K HN . 17136 1 732 . 1 1 72 72 LYS HA H 1 3.234 0.03 . 1 . . . . 72 K HA . 17136 1 733 . 1 1 72 72 LYS HB2 H 1 1.697 0.03 . 2 . . . . 72 K HB1 . 17136 1 734 . 1 1 72 72 LYS HB3 H 1 1.739 0.03 . 2 . . . . 72 K HB2 . 17136 1 735 . 1 1 72 72 LYS HD2 H 1 1.851 0.03 . 2 . . . . 72 K HD1 . 17136 1 736 . 1 1 72 72 LYS HD3 H 1 1.851 0.03 . 2 . . . . 72 K HD2 . 17136 1 737 . 1 1 72 72 LYS HE2 H 1 3.243 0.03 . 2 . . . . 72 K HE1 . 17136 1 738 . 1 1 72 72 LYS HE3 H 1 3.243 0.03 . 2 . . . . 72 K HE2 . 17136 1 739 . 1 1 72 72 LYS HG2 H 1 1.159 0.03 . 2 . . . . 72 K HG1 . 17136 1 740 . 1 1 72 72 LYS HG3 H 1 1.676 0.03 . 2 . . . . 72 K HG2 . 17136 1 741 . 1 1 72 72 LYS CA C 13 60.280 0.3 . 1 . . . . 72 K CA . 17136 1 742 . 1 1 72 72 LYS CB C 13 32.150 0.3 . 1 . . . . 72 K CB . 17136 1 743 . 1 1 72 72 LYS CD C 13 29.746 0.3 . 1 . . . . 72 K CD . 17136 1 744 . 1 1 72 72 LYS CE C 13 42.860 0.3 . 1 . . . . 72 K CE . 17136 1 745 . 1 1 72 72 LYS CG C 13 26.382 0.3 . 1 . . . . 72 K CG . 17136 1 746 . 1 1 72 72 LYS N N 15 122.800 0.3 . 1 . . . . 72 K N . 17136 1 747 . 1 1 73 73 GLY H H 1 7.650 0.03 . 1 . . . . 73 G HN . 17136 1 748 . 1 1 73 73 GLY HA2 H 1 3.806 0.03 . 2 . . . . 73 G HA1 . 17136 1 749 . 1 1 73 73 GLY HA3 H 1 3.861 0.03 . 2 . . . . 73 G HA2 . 17136 1 750 . 1 1 73 73 GLY CA C 13 46.680 0.3 . 1 . . . . 73 G CA . 17136 1 751 . 1 1 73 73 GLY N N 15 106.480 0.3 . 1 . . . . 73 G N . 17136 1 752 . 1 1 74 74 ALA H H 1 7.208 0.03 . 1 . . . . 74 A HN . 17136 1 753 . 1 1 74 74 ALA HA H 1 4.089 0.03 . 1 . . . . 74 A HA . 17136 1 754 . 1 1 74 74 ALA HB1 H 1 1.276 0.03 . 1 . . . . 74 A HB1 . 17136 1 755 . 1 1 74 74 ALA HB2 H 1 1.276 0.03 . 1 . . . . 74 A HB1 . 17136 1 756 . 1 1 74 74 ALA HB3 H 1 1.276 0.03 . 1 . . . . 74 A HB1 . 17136 1 757 . 1 1 74 74 ALA CA C 13 54.410 0.3 . 1 . . . . 74 A CA . 17136 1 758 . 1 1 74 74 ALA CB C 13 20.160 0.3 . 1 . . . . 74 A CB . 17136 1 759 . 1 1 74 74 ALA N N 15 123.930 0.3 . 1 . . . . 74 A N . 17136 1 760 . 1 1 75 75 ALA H H 1 8.254 0.03 . 1 . . . . 75 A HN . 17136 1 761 . 1 1 75 75 ALA HA H 1 3.788 0.03 . 1 . . . . 75 A HA . 17136 1 762 . 1 1 75 75 ALA HB1 H 1 0.850 0.03 . 1 . . . . 75 A HB1 . 17136 1 763 . 1 1 75 75 ALA HB2 H 1 0.850 0.03 . 1 . . . . 75 A HB1 . 17136 1 764 . 1 1 75 75 ALA HB3 H 1 0.850 0.03 . 1 . . . . 75 A HB1 . 17136 1 765 . 1 1 75 75 ALA CA C 13 55.190 0.3 . 1 . . . . 75 A CA . 17136 1 766 . 1 1 75 75 ALA CB C 13 17.220 0.3 . 1 . . . . 75 A CB . 17136 1 767 . 1 1 75 75 ALA N N 15 120.730 0.3 . 1 . . . . 75 A N . 17136 1 768 . 1 1 76 76 GLN H H 1 7.477 0.03 . 1 . . . . 76 Q HN . 17136 1 769 . 1 1 76 76 GLN HA H 1 4.013 0.03 . 1 . . . . 76 Q HA . 17136 1 770 . 1 1 76 76 GLN HB2 H 1 2.161 0.03 . 2 . . . . 76 Q HB1 . 17136 1 771 . 1 1 76 76 GLN HB3 H 1 2.375 0.03 . 2 . . . . 76 Q HB2 . 17136 1 772 . 1 1 76 76 GLN HE21 H 1 7.354 0.03 . 2 . . . . 76 Q HE21 . 17136 1 773 . 1 1 76 76 GLN HE22 H 1 6.924 0.03 . 2 . . . . 76 Q HE22 . 17136 1 774 . 1 1 76 76 GLN HG2 H 1 2.507 0.03 . 2 . . . . 76 Q HG1 . 17136 1 775 . 1 1 76 76 GLN HG3 H 1 2.507 0.03 . 2 . . . . 76 Q HG2 . 17136 1 776 . 1 1 76 76 GLN CA C 13 58.920 0.3 . 1 . . . . 76 Q CA . 17136 1 777 . 1 1 76 76 GLN CB C 13 28.420 0.3 . 1 . . . . 76 Q CB . 17136 1 778 . 1 1 76 76 GLN CG C 13 33.648 0.3 . 1 . . . . 76 Q CG . 17136 1 779 . 1 1 76 76 GLN N N 15 116.450 0.3 . 1 . . . . 76 Q N . 17136 1 780 . 1 1 76 76 GLN NE2 N 15 111.548 0.3 . 1 . . . . 76 Q NE2 . 17136 1 781 . 1 1 77 77 TYR H H 1 7.849 0.03 . 1 . . . . 77 Y HN . 17136 1 782 . 1 1 77 77 TYR HA H 1 4.134 0.03 . 1 . . . . 77 Y HA . 17136 1 783 . 1 1 77 77 TYR HB2 H 1 3.104 0.03 . 2 . . . . 77 Y HB1 . 17136 1 784 . 1 1 77 77 TYR HB3 H 1 3.278 0.03 . 2 . . . . 77 Y HB2 . 17136 1 785 . 1 1 77 77 TYR CA C 13 61.820 0.3 . 1 . . . . 77 Y CA . 17136 1 786 . 1 1 77 77 TYR CB C 13 38.100 0.3 . 1 . . . . 77 Y CB . 17136 1 787 . 1 1 77 77 TYR N N 15 120.330 0.3 . 1 . . . . 77 Y N . 17136 1 788 . 1 1 78 78 LEU H H 1 8.328 0.03 . 1 . . . . 78 L HN . 17136 1 789 . 1 1 78 78 LEU HA H 1 3.994 0.03 . 1 . . . . 78 L HA . 17136 1 790 . 1 1 78 78 LEU HB2 H 1 1.241 0.03 . 2 . . . . 78 L HB1 . 17136 1 791 . 1 1 78 78 LEU HB3 H 1 1.977 0.03 . 2 . . . . 78 L HB2 . 17136 1 792 . 1 1 78 78 LEU HD11 H 1 0.387 0.03 . 2 . . . . 78 L HD11 . 17136 1 793 . 1 1 78 78 LEU HD12 H 1 0.387 0.03 . 2 . . . . 78 L HD11 . 17136 1 794 . 1 1 78 78 LEU HD13 H 1 0.387 0.03 . 2 . . . . 78 L HD11 . 17136 1 795 . 1 1 78 78 LEU HD21 H 1 0.720 0.03 . 2 . . . . 78 L HD21 . 17136 1 796 . 1 1 78 78 LEU HD22 H 1 0.720 0.03 . 2 . . . . 78 L HD21 . 17136 1 797 . 1 1 78 78 LEU HD23 H 1 0.720 0.03 . 2 . . . . 78 L HD21 . 17136 1 798 . 1 1 78 78 LEU HG H 1 1.842 0.03 . 1 . . . . 78 L HG . 17136 1 799 . 1 1 78 78 LEU CA C 13 58.620 0.3 . 1 . . . . 78 L CA . 17136 1 800 . 1 1 78 78 LEU CB C 13 41.490 0.3 . 1 . . . . 78 L CB . 17136 1 801 . 1 1 78 78 LEU CD1 C 13 25.656 0.3 . 1 . . . . 78 L CD1 . 17136 1 802 . 1 1 78 78 LEU CD2 C 13 21.770 0.3 . 1 . . . . 78 L CD2 . 17136 1 803 . 1 1 78 78 LEU CG C 13 27.215 0.3 . 1 . . . . 78 L CG . 17136 1 804 . 1 1 78 78 LEU N N 15 119.780 0.3 . 1 . . . . 78 L N . 17136 1 805 . 1 1 79 79 LEU H H 1 8.132 0.03 . 1 . . . . 79 L HN . 17136 1 806 . 1 1 79 79 LEU HA H 1 4.628 0.03 . 1 . . . . 79 L HA . 17136 1 807 . 1 1 79 79 LEU HB2 H 1 1.598 0.03 . 2 . . . . 79 L HB1 . 17136 1 808 . 1 1 79 79 LEU HB3 H 1 1.911 0.03 . 2 . . . . 79 L HB2 . 17136 1 809 . 1 1 79 79 LEU HD11 H 1 0.745 0.03 . 2 . . . . 79 L HD11 . 17136 1 810 . 1 1 79 79 LEU HD12 H 1 0.745 0.03 . 2 . . . . 79 L HD11 . 17136 1 811 . 1 1 79 79 LEU HD13 H 1 0.745 0.03 . 2 . . . . 79 L HD11 . 17136 1 812 . 1 1 79 79 LEU HD21 H 1 0.803 0.03 . 2 . . . . 79 L HD21 . 17136 1 813 . 1 1 79 79 LEU HD22 H 1 0.803 0.03 . 2 . . . . 79 L HD21 . 17136 1 814 . 1 1 79 79 LEU HD23 H 1 0.803 0.03 . 2 . . . . 79 L HD21 . 17136 1 815 . 1 1 79 79 LEU HG H 1 0.755 0.03 . 1 . . . . 79 L HG . 17136 1 816 . 1 1 79 79 LEU CA C 13 58.060 0.3 . 1 . . . . 79 L CA . 17136 1 817 . 1 1 79 79 LEU CB C 13 41.820 0.3 . 1 . . . . 79 L CB . 17136 1 818 . 1 1 79 79 LEU CD1 C 13 25.636 0.3 . 1 . . . . 79 L CD1 . 17136 1 819 . 1 1 79 79 LEU CD2 C 13 24.413 0.3 . 1 . . . . 79 L CD2 . 17136 1 820 . 1 1 79 79 LEU CG C 13 26.753 0.3 . 1 . . . . 79 L CG . 17136 1 821 . 1 1 79 79 LEU N N 15 122.670 0.3 . 1 . . . . 79 L N . 17136 1 822 . 1 1 80 80 GLN H H 1 8.012 0.03 . 1 . . . . 80 Q HN . 17136 1 823 . 1 1 80 80 GLN HA H 1 3.903 0.03 . 1 . . . . 80 Q HA . 17136 1 824 . 1 1 80 80 GLN HB2 H 1 2.015 0.03 . 2 . . . . 80 Q HB1 . 17136 1 825 . 1 1 80 80 GLN HB3 H 1 2.185 0.03 . 2 . . . . 80 Q HB2 . 17136 1 826 . 1 1 80 80 GLN HE21 H 1 7.390 0.03 . 2 . . . . 80 Q HE21 . 17136 1 827 . 1 1 80 80 GLN HE22 H 1 7.001 0.03 . 2 . . . . 80 Q HE22 . 17136 1 828 . 1 1 80 80 GLN HG2 H 1 2.373 0.03 . 2 . . . . 80 Q HG1 . 17136 1 829 . 1 1 80 80 GLN HG3 H 1 2.373 0.03 . 2 . . . . 80 Q HG2 . 17136 1 830 . 1 1 80 80 GLN CA C 13 58.230 0.3 . 1 . . . . 80 Q CA . 17136 1 831 . 1 1 80 80 GLN CB C 13 27.700 0.3 . 1 . . . . 80 Q CB . 17136 1 832 . 1 1 80 80 GLN CG C 13 34.434 0.3 . 1 . . . . 80 Q CG . 17136 1 833 . 1 1 80 80 GLN N N 15 119.450 0.3 . 1 . . . . 80 Q N . 17136 1 834 . 1 1 80 80 GLN NE2 N 15 110.309 0.3 . 1 . . . . 80 Q NE2 . 17136 1 835 . 1 1 81 81 GLN H H 1 7.769 0.03 . 1 . . . . 81 Q HN . 17136 1 836 . 1 1 81 81 GLN HA H 1 3.928 0.03 . 1 . . . . 81 Q HA . 17136 1 837 . 1 1 81 81 GLN HB2 H 1 2.215 0.03 . 2 . . . . 81 Q HB1 . 17136 1 838 . 1 1 81 81 GLN HB3 H 1 2.451 0.03 . 2 . . . . 81 Q HB2 . 17136 1 839 . 1 1 81 81 GLN HE21 H 1 6.722 0.03 . 2 . . . . 81 Q HE21 . 17136 1 840 . 1 1 81 81 GLN HE22 H 1 6.190 0.03 . 2 . . . . 81 Q HE22 . 17136 1 841 . 1 1 81 81 GLN HG2 H 1 2.049 0.03 . 2 . . . . 81 Q HG1 . 17136 1 842 . 1 1 81 81 GLN HG3 H 1 2.317 0.03 . 2 . . . . 81 Q HG2 . 17136 1 843 . 1 1 81 81 GLN CA C 13 55.780 0.3 . 1 . . . . 81 Q CA . 17136 1 844 . 1 1 81 81 GLN CB C 13 28.420 0.3 . 1 . . . . 81 Q CB . 17136 1 845 . 1 1 81 81 GLN CG C 13 33.481 0.3 . 1 . . . . 81 Q CG . 17136 1 846 . 1 1 81 81 GLN N N 15 116.080 0.3 . 1 . . . . 81 Q N . 17136 1 847 . 1 1 81 81 GLN NE2 N 15 114.402 0.3 . 1 . . . . 81 Q NE2 . 17136 1 848 . 1 1 82 82 GLY H H 1 7.207 0.03 . 1 . . . . 82 G HN . 17136 1 849 . 1 1 82 82 GLY HA2 H 1 3.001 0.03 . 2 . . . . 82 G HA1 . 17136 1 850 . 1 1 82 82 GLY HA3 H 1 3.200 0.03 . 2 . . . . 82 G HA2 . 17136 1 851 . 1 1 82 82 GLY CA C 13 43.910 0.3 . 1 . . . . 82 G CA . 17136 1 852 . 1 1 82 82 GLY N N 15 102.370 0.3 . 1 . . . . 82 G N . 17136 1 853 . 1 1 83 83 TYR H H 1 7.427 0.03 . 1 . . . . 83 Y HN . 17136 1 854 . 1 1 83 83 TYR HA H 1 4.269 0.03 . 1 . . . . 83 Y HA . 17136 1 855 . 1 1 83 83 TYR HB2 H 1 2.368 0.03 . 2 . . . . 83 Y HB1 . 17136 1 856 . 1 1 83 83 TYR HB3 H 1 2.899 0.03 . 2 . . . . 83 Y HB2 . 17136 1 857 . 1 1 83 83 TYR CA C 13 61.730 0.3 . 1 . . . . 83 Y CA . 17136 1 858 . 1 1 83 83 TYR CB C 13 37.740 0.3 . 1 . . . . 83 Y CB . 17136 1 859 . 1 1 83 83 TYR N N 15 119.540 0.3 . 1 . . . . 83 Y N . 17136 1 860 . 1 1 84 84 ASP H H 1 7.630 0.03 . 1 . . . . 84 D HN . 17136 1 861 . 1 1 84 84 ASP HA H 1 4.444 0.03 . 1 . . . . 84 D HA . 17136 1 862 . 1 1 84 84 ASP HB2 H 1 2.628 0.03 . 2 . . . . 84 D HB1 . 17136 1 863 . 1 1 84 84 ASP HB3 H 1 2.628 0.03 . 2 . . . . 84 D HB2 . 17136 1 864 . 1 1 84 84 ASP CA C 13 56.690 0.3 . 1 . . . . 84 D CA . 17136 1 865 . 1 1 84 84 ASP CB C 13 43.200 0.3 . 1 . . . . 84 D CB . 17136 1 866 . 1 1 84 84 ASP N N 15 121.470 0.3 . 1 . . . . 84 D N . 17136 1 867 . 1 1 85 85 VAL H H 1 9.246 0.03 . 1 . . . . 85 V HN . 17136 1 868 . 1 1 85 85 VAL HA H 1 4.055 0.03 . 1 . . . . 85 V HA . 17136 1 869 . 1 1 85 85 VAL HB H 1 1.809 0.03 . 1 . . . . 85 V HB . 17136 1 870 . 1 1 85 85 VAL HG11 H 1 0.681 0.03 . 2 . . . . 85 V HG11 . 17136 1 871 . 1 1 85 85 VAL HG12 H 1 0.681 0.03 . 2 . . . . 85 V HG11 . 17136 1 872 . 1 1 85 85 VAL HG13 H 1 0.681 0.03 . 2 . . . . 85 V HG11 . 17136 1 873 . 1 1 85 85 VAL HG21 H 1 0.831 0.03 . 2 . . . . 85 V HG21 . 17136 1 874 . 1 1 85 85 VAL HG22 H 1 0.831 0.03 . 2 . . . . 85 V HG21 . 17136 1 875 . 1 1 85 85 VAL HG23 H 1 0.831 0.03 . 2 . . . . 85 V HG21 . 17136 1 876 . 1 1 85 85 VAL CA C 13 62.380 0.3 . 1 . . . . 85 V CA . 17136 1 877 . 1 1 85 85 VAL CB C 13 33.730 0.3 . 1 . . . . 85 V CB . 17136 1 878 . 1 1 85 85 VAL CG1 C 13 21.868 0.3 . 1 . . . . 85 V CG1 . 17136 1 879 . 1 1 85 85 VAL CG2 C 13 20.834 0.3 . 1 . . . . 85 V CG2 . 17136 1 880 . 1 1 85 85 VAL N N 15 120.720 0.3 . 1 . . . . 85 V N . 17136 1 881 . 1 1 86 86 VAL H H 1 7.448 0.03 . 1 . . . . 86 V HN . 17136 1 882 . 1 1 86 86 VAL HA H 1 5.081 0.03 . 1 . . . . 86 V HA . 17136 1 883 . 1 1 86 86 VAL HB H 1 1.559 0.03 . 1 . . . . 86 V HB . 17136 1 884 . 1 1 86 86 VAL HG11 H 1 0.718 0.03 . 2 . . . . 86 V HG11 . 17136 1 885 . 1 1 86 86 VAL HG12 H 1 0.718 0.03 . 2 . . . . 86 V HG11 . 17136 1 886 . 1 1 86 86 VAL HG13 H 1 0.718 0.03 . 2 . . . . 86 V HG11 . 17136 1 887 . 1 1 86 86 VAL HG21 H 1 0.932 0.03 . 2 . . . . 86 V HG21 . 17136 1 888 . 1 1 86 86 VAL HG22 H 1 0.932 0.03 . 2 . . . . 86 V HG21 . 17136 1 889 . 1 1 86 86 VAL HG23 H 1 0.932 0.03 . 2 . . . . 86 V HG21 . 17136 1 890 . 1 1 86 86 VAL CA C 13 59.670 0.3 . 1 . . . . 86 V CA . 17136 1 891 . 1 1 86 86 VAL CB C 13 35.820 0.3 . 1 . . . . 86 V CB . 17136 1 892 . 1 1 86 86 VAL CG1 C 13 22.492 0.3 . 1 . . . . 86 V CG1 . 17136 1 893 . 1 1 86 86 VAL CG2 C 13 22.866 0.3 . 1 . . . . 86 V CG2 . 17136 1 894 . 1 1 86 86 VAL N N 15 123.580 0.3 . 1 . . . . 86 V N . 17136 1 895 . 1 1 87 87 TYR H H 1 9.224 0.03 . 1 . . . . 87 Y HN . 17136 1 896 . 1 1 87 87 TYR HA H 1 5.923 0.03 . 1 . . . . 87 Y HA . 17136 1 897 . 1 1 87 87 TYR HB2 H 1 2.443 0.03 . 2 . . . . 87 Y HB1 . 17136 1 898 . 1 1 87 87 TYR HB3 H 1 2.943 0.03 . 2 . . . . 87 Y HB2 . 17136 1 899 . 1 1 87 87 TYR CA C 13 55.080 0.3 . 1 . . . . 87 Y CA . 17136 1 900 . 1 1 87 87 TYR CB C 13 42.550 0.3 . 1 . . . . 87 Y CB . 17136 1 901 . 1 1 87 87 TYR N N 15 121.720 0.3 . 1 . . . . 87 Y N . 17136 1 902 . 1 1 88 88 SER H H 1 8.830 0.03 . 1 . . . . 88 S HN . 17136 1 903 . 1 1 88 88 SER HA H 1 4.861 0.03 . 1 . . . . 88 S HA . 17136 1 904 . 1 1 88 88 SER HB2 H 1 3.119 0.03 . 2 . . . . 88 S HB1 . 17136 1 905 . 1 1 88 88 SER HB3 H 1 4.005 0.03 . 2 . . . . 88 S HB2 . 17136 1 906 . 1 1 88 88 SER CA C 13 56.660 0.3 . 1 . . . . 88 S CA . 17136 1 907 . 1 1 88 88 SER CB C 13 65.040 0.3 . 1 . . . . 88 S CB . 17136 1 908 . 1 1 88 88 SER N N 15 115.340 0.3 . 1 . . . . 88 S N . 17136 1 909 . 1 1 89 89 ILE H H 1 7.943 0.03 . 1 . . . . 89 I HN . 17136 1 910 . 1 1 89 89 ILE HA H 1 4.557 0.03 . 1 . . . . 89 I HA . 17136 1 911 . 1 1 89 89 ILE HB H 1 1.748 0.03 . 1 . . . . 89 I HB . 17136 1 912 . 1 1 89 89 ILE HD11 H 1 0.677 0.03 . 1 . . . . 89 I HD11 . 17136 1 913 . 1 1 89 89 ILE HD12 H 1 0.677 0.03 . 1 . . . . 89 I HD11 . 17136 1 914 . 1 1 89 89 ILE HD13 H 1 0.677 0.03 . 1 . . . . 89 I HD11 . 17136 1 915 . 1 1 89 89 ILE HG12 H 1 0.677 0.03 . 1 . . . . 89 I HG11 . 17136 1 916 . 1 1 89 89 ILE HG13 H 1 1.473 0.03 . 1 . . . . 89 I HG12 . 17136 1 917 . 1 1 89 89 ILE HG21 H 1 0.865 0.03 . 1 . . . . 89 I HG21 . 17136 1 918 . 1 1 89 89 ILE HG22 H 1 0.865 0.03 . 1 . . . . 89 I HG21 . 17136 1 919 . 1 1 89 89 ILE HG23 H 1 0.865 0.03 . 1 . . . . 89 I HG21 . 17136 1 920 . 1 1 89 89 ILE CA C 13 60.920 0.3 . 1 . . . . 89 I CA . 17136 1 921 . 1 1 89 89 ILE CB C 13 38.200 0.3 . 1 . . . . 89 I CB . 17136 1 922 . 1 1 89 89 ILE CD1 C 13 15.652 0.3 . 1 . . . . 89 I CD1 . 17136 1 923 . 1 1 89 89 ILE CG1 C 13 27.895 0.3 . 1 . . . . 89 I CG1 . 17136 1 924 . 1 1 89 89 ILE CG2 C 13 17.943 0.3 . 1 . . . . 89 I CG2 . 17136 1 925 . 1 1 89 89 ILE N N 15 126.010 0.3 . 1 . . . . 89 I N . 17136 1 926 . 1 1 90 90 ASP H H 1 9.450 0.03 . 1 . . . . 90 D HN . 17136 1 927 . 1 1 90 90 ASP HA H 1 4.567 0.03 . 1 . . . . 90 D HA . 17136 1 928 . 1 1 90 90 ASP HB2 H 1 2.532 0.03 . 2 . . . . 90 D HB1 . 17136 1 929 . 1 1 90 90 ASP HB3 H 1 2.614 0.03 . 2 . . . . 90 D HB2 . 17136 1 930 . 1 1 90 90 ASP CA C 13 56.300 0.3 . 1 . . . . 90 D CA . 17136 1 931 . 1 1 90 90 ASP CB C 13 40.240 0.3 . 1 . . . . 90 D CB . 17136 1 932 . 1 1 90 90 ASP N N 15 134.750 0.3 . 1 . . . . 90 D N . 17136 1 933 . 1 1 91 91 GLY H H 1 8.481 0.03 . 1 . . . . 91 G HN . 17136 1 934 . 1 1 91 91 GLY HA2 H 1 3.646 0.03 . 2 . . . . 91 G HA1 . 17136 1 935 . 1 1 91 91 GLY HA3 H 1 4.279 0.03 . 2 . . . . 91 G HA2 . 17136 1 936 . 1 1 91 91 GLY CA C 13 46.040 0.3 . 1 . . . . 91 G CA . 17136 1 937 . 1 1 91 91 GLY N N 15 112.160 0.3 . 1 . . . . 91 G N . 17136 1 938 . 1 1 92 92 GLY H H 1 7.477 0.03 . 1 . . . . 92 G HN . 17136 1 939 . 1 1 92 92 GLY HA2 H 1 3.689 0.03 . 2 . . . . 92 G HA1 . 17136 1 940 . 1 1 92 92 GLY HA3 H 1 3.901 0.03 . 2 . . . . 92 G HA2 . 17136 1 941 . 1 1 92 92 GLY CA C 13 46.260 0.3 . 1 . . . . 92 G CA . 17136 1 942 . 1 1 92 92 GLY N N 15 104.590 0.3 . 1 . . . . 92 G N . 17136 1 943 . 1 1 93 93 PHE H H 1 8.985 0.03 . 1 . . . . 93 F HN . 17136 1 944 . 1 1 93 93 PHE HA H 1 4.554 0.03 . 1 . . . . 93 F HA . 17136 1 945 . 1 1 93 93 PHE HB2 H 1 2.669 0.03 . 2 . . . . 93 F HB1 . 17136 1 946 . 1 1 93 93 PHE HB3 H 1 3.019 0.03 . 2 . . . . 93 F HB2 . 17136 1 947 . 1 1 93 93 PHE CA C 13 61.150 0.3 . 1 . . . . 93 F CA . 17136 1 948 . 1 1 93 93 PHE CB C 13 38.880 0.3 . 1 . . . . 93 F CB . 17136 1 949 . 1 1 93 93 PHE N N 15 121.880 0.3 . 1 . . . . 93 F N . 17136 1 950 . 1 1 94 94 GLU H H 1 8.219 0.03 . 1 . . . . 94 E HN . 17136 1 951 . 1 1 94 94 GLU HA H 1 3.826 0.03 . 1 . . . . 94 E HA . 17136 1 952 . 1 1 94 94 GLU HB2 H 1 1.978 0.03 . 2 . . . . 94 E HB1 . 17136 1 953 . 1 1 94 94 GLU HB3 H 1 2.186 0.03 . 2 . . . . 94 E HB2 . 17136 1 954 . 1 1 94 94 GLU HG2 H 1 2.243 0.03 . 2 . . . . 94 E HG1 . 17136 1 955 . 1 1 94 94 GLU HG3 H 1 2.339 0.03 . 2 . . . . 94 E HG2 . 17136 1 956 . 1 1 94 94 GLU CA C 13 59.850 0.3 . 1 . . . . 94 E CA . 17136 1 957 . 1 1 94 94 GLU CB C 13 29.500 0.3 . 1 . . . . 94 E CB . 17136 1 958 . 1 1 94 94 GLU CG C 13 36.186 0.3 . 1 . . . . 94 E CG . 17136 1 959 . 1 1 94 94 GLU N N 15 118.610 0.3 . 1 . . . . 94 E N . 17136 1 960 . 1 1 95 95 ALA H H 1 7.257 0.03 . 1 . . . . 95 A HN . 17136 1 961 . 1 1 95 95 ALA HA H 1 4.102 0.03 . 1 . . . . 95 A HA . 17136 1 962 . 1 1 95 95 ALA HB1 H 1 1.496 0.03 . 1 . . . . 95 A HB1 . 17136 1 963 . 1 1 95 95 ALA HB2 H 1 1.496 0.03 . 1 . . . . 95 A HB1 . 17136 1 964 . 1 1 95 95 ALA HB3 H 1 1.496 0.03 . 1 . . . . 95 A HB1 . 17136 1 965 . 1 1 95 95 ALA CA C 13 54.410 0.3 . 1 . . . . 95 A CA . 17136 1 966 . 1 1 95 95 ALA CB C 13 19.020 0.3 . 1 . . . . 95 A CB . 17136 1 967 . 1 1 95 95 ALA N N 15 119.150 0.3 . 1 . . . . 95 A N . 17136 1 968 . 1 1 96 96 TRP H H 1 8.059 0.03 . 1 . . . . 96 W HN . 17136 1 969 . 1 1 96 96 TRP HA H 1 3.772 0.03 . 1 . . . . 96 W HA . 17136 1 970 . 1 1 96 96 TRP HB2 H 1 3.155 0.03 . 2 . . . . 96 W HB1 . 17136 1 971 . 1 1 96 96 TRP HB3 H 1 3.287 0.03 . 2 . . . . 96 W HB2 . 17136 1 972 . 1 1 96 96 TRP HE1 H 1 9.793 0.03 . 1 . . . . 96 W HE1 . 17136 1 973 . 1 1 96 96 TRP CA C 13 61.480 0.3 . 1 . . . . 96 W CA . 17136 1 974 . 1 1 96 96 TRP CB C 13 28.940 0.3 . 1 . . . . 96 W CB . 17136 1 975 . 1 1 96 96 TRP N N 15 121.080 0.3 . 1 . . . . 96 W N . 17136 1 976 . 1 1 96 96 TRP NE1 N 15 129.111 0.3 . 1 . . . . 96 W NE1 . 17136 1 977 . 1 1 97 97 GLN H H 1 8.538 0.03 . 1 . . . . 97 Q HN . 17136 1 978 . 1 1 97 97 GLN HA H 1 3.333 0.03 . 1 . . . . 97 Q HA . 17136 1 979 . 1 1 97 97 GLN HB2 H 1 1.325 0.03 . 2 . . . . 97 Q HB1 . 17136 1 980 . 1 1 97 97 GLN HB3 H 1 1.494 0.03 . 2 . . . . 97 Q HB2 . 17136 1 981 . 1 1 97 97 GLN HE21 H 1 7.387 0.03 . 2 . . . . 97 Q HE21 . 17136 1 982 . 1 1 97 97 GLN HE22 H 1 6.899 0.03 . 2 . . . . 97 Q HE22 . 17136 1 983 . 1 1 97 97 GLN HG2 H 1 2.115 0.03 . 2 . . . . 97 Q HG1 . 17136 1 984 . 1 1 97 97 GLN HG3 H 1 2.140 0.03 . 2 . . . . 97 Q HG2 . 17136 1 985 . 1 1 97 97 GLN CA C 13 58.370 0.3 . 1 . . . . 97 Q CA . 17136 1 986 . 1 1 97 97 GLN CB C 13 27.430 0.3 . 1 . . . . 97 Q CB . 17136 1 987 . 1 1 97 97 GLN CG C 13 33.765 0.3 . 1 . . . . 97 Q CG . 17136 1 988 . 1 1 97 97 GLN N N 15 116.040 0.3 . 1 . . . . 97 Q N . 17136 1 989 . 1 1 97 97 GLN NE2 N 15 111.110 0.3 . 1 . . . . 97 Q NE2 . 17136 1 990 . 1 1 98 98 ARG H H 1 6.830 0.03 . 1 . . . . 98 R HN . 17136 1 991 . 1 1 98 98 ARG HA H 1 3.847 0.03 . 1 . . . . 98 R HA . 17136 1 992 . 1 1 98 98 ARG HB2 H 1 1.719 0.03 . 2 . . . . 98 R HB1 . 17136 1 993 . 1 1 98 98 ARG HB3 H 1 1.767 0.03 . 2 . . . . 98 R HB2 . 17136 1 994 . 1 1 98 98 ARG HD2 H 1 3.127 0.03 . 2 . . . . 98 R HD1 . 17136 1 995 . 1 1 98 98 ARG HD3 H 1 3.127 0.03 . 2 . . . . 98 R HD2 . 17136 1 996 . 1 1 98 98 ARG HG2 H 1 1.478 0.03 . 2 . . . . 98 R HG1 . 17136 1 997 . 1 1 98 98 ARG HG3 H 1 1.658 0.03 . 2 . . . . 98 R HG2 . 17136 1 998 . 1 1 98 98 ARG CA C 13 58.340 0.3 . 1 . . . . 98 R CA . 17136 1 999 . 1 1 98 98 ARG CB C 13 30.530 0.3 . 1 . . . . 98 R CB . 17136 1 1000 . 1 1 98 98 ARG CD C 13 43.302 0.3 . 1 . . . . 98 R CD . 17136 1 1001 . 1 1 98 98 ARG CG C 13 27.568 0.3 . 1 . . . . 98 R CG . 17136 1 1002 . 1 1 98 98 ARG N N 15 114.950 0.3 . 1 . . . . 98 R N . 17136 1 1003 . 1 1 99 99 GLN H H 1 7.196 0.03 . 1 . . . . 99 Q HN . 17136 1 1004 . 1 1 99 99 GLN HA H 1 3.677 0.03 . 1 . . . . 99 Q HA . 17136 1 1005 . 1 1 99 99 GLN HB2 H 1 0.821 0.03 . 2 . . . . 99 Q HB1 . 17136 1 1006 . 1 1 99 99 GLN HB3 H 1 1.243 0.03 . 2 . . . . 99 Q HB2 . 17136 1 1007 . 1 1 99 99 GLN HE21 H 1 6.908 0.03 . 2 . . . . 99 Q HE21 . 17136 1 1008 . 1 1 99 99 GLN HE22 H 1 6.589 0.03 . 2 . . . . 99 Q HE22 . 17136 1 1009 . 1 1 99 99 GLN HG2 H 1 1.469 0.03 . 2 . . . . 99 Q HG1 . 17136 1 1010 . 1 1 99 99 GLN HG3 H 1 1.542 0.03 . 2 . . . . 99 Q HG2 . 17136 1 1011 . 1 1 99 99 GLN CA C 13 57.300 0.3 . 1 . . . . 99 Q CA . 17136 1 1012 . 1 1 99 99 GLN CB C 13 29.670 0.3 . 1 . . . . 99 Q CB . 17136 1 1013 . 1 1 99 99 GLN CG C 13 34.153 0.3 . 1 . . . . 99 Q CG . 17136 1 1014 . 1 1 99 99 GLN N N 15 116.480 0.3 . 1 . . . . 99 Q N . 17136 1 1015 . 1 1 99 99 GLN NE2 N 15 110.513 0.3 . 1 . . . . 99 Q NE2 . 17136 1 1016 . 1 1 100 100 PHE H H 1 8.265 0.03 . 1 . . . . 100 F HN . 17136 1 1017 . 1 1 100 100 PHE HA H 1 4.809 0.03 . 1 . . . . 100 F HA . 17136 1 1018 . 1 1 100 100 PHE HB2 H 1 1.542 0.03 . 2 . . . . 100 F HB1 . 17136 1 1019 . 1 1 100 100 PHE HB3 H 1 2.458 0.03 . 2 . . . . 100 F HB2 . 17136 1 1020 . 1 1 100 100 PHE CA C 13 54.880 0.3 . 1 . . . . 100 F CA . 17136 1 1021 . 1 1 100 100 PHE CB C 13 38.150 0.3 . 1 . . . . 100 F CB . 17136 1 1022 . 1 1 100 100 PHE N N 15 116.580 0.3 . 1 . . . . 100 F N . 17136 1 1023 . 1 1 101 101 PRO HA H 1 4.231 0.03 . 1 . . . . 101 P HA . 17136 1 1024 . 1 1 101 101 PRO HB2 H 1 1.904 0.03 . 2 . . . . 101 P HB1 . 17136 1 1025 . 1 1 101 101 PRO HB3 H 1 2.369 0.03 . 2 . . . . 101 P HB2 . 17136 1 1026 . 1 1 101 101 PRO HD2 H 1 2.923 0.03 . 2 . . . . 101 P HD1 . 17136 1 1027 . 1 1 101 101 PRO HD3 H 1 3.298 0.03 . 2 . . . . 101 P HD2 . 17136 1 1028 . 1 1 101 101 PRO HG2 H 1 1.793 0.03 . 2 . . . . 101 P HG1 . 17136 1 1029 . 1 1 101 101 PRO HG3 H 1 1.889 0.03 . 2 . . . . 101 P HG2 . 17136 1 1030 . 1 1 101 101 PRO CA C 13 65.200 0.3 . 1 . . . . 101 P CA . 17136 1 1031 . 1 1 101 101 PRO CB C 13 31.210 0.3 . 1 . . . . 101 P CB . 17136 1 1032 . 1 1 101 101 PRO CD C 13 50.086 0.3 . 1 . . . . 101 P CD . 17136 1 1033 . 1 1 101 101 PRO CG C 13 27.190 0.3 . 1 . . . . 101 P CG . 17136 1 1034 . 1 1 102 102 ALA H H 1 8.431 0.03 . 1 . . . . 102 A HN . 17136 1 1035 . 1 1 102 102 ALA HA H 1 4.520 0.03 . 1 . . . . 102 A HA . 17136 1 1036 . 1 1 102 102 ALA HB1 H 1 1.483 0.03 . 1 . . . . 102 A HB1 . 17136 1 1037 . 1 1 102 102 ALA HB2 H 1 1.483 0.03 . 1 . . . . 102 A HB1 . 17136 1 1038 . 1 1 102 102 ALA HB3 H 1 1.483 0.03 . 1 . . . . 102 A HB1 . 17136 1 1039 . 1 1 102 102 ALA CA C 13 52.890 0.3 . 1 . . . . 102 A CA . 17136 1 1040 . 1 1 102 102 ALA CB C 13 18.620 0.3 . 1 . . . . 102 A CB . 17136 1 1041 . 1 1 102 102 ALA N N 15 118.280 0.3 . 1 . . . . 102 A N . 17136 1 1042 . 1 1 103 103 GLU H H 1 8.125 0.03 . 1 . . . . 103 E HN . 17136 1 1043 . 1 1 103 103 GLU HA H 1 4.623 0.03 . 1 . . . . 103 E HA . 17136 1 1044 . 1 1 103 103 GLU HB2 H 1 2.127 0.03 . 2 . . . . 103 E HB1 . 17136 1 1045 . 1 1 103 103 GLU HB3 H 1 2.901 0.03 . 2 . . . . 103 E HB2 . 17136 1 1046 . 1 1 103 103 GLU HG2 H 1 2.117 0.03 . 2 . . . . 103 E HG1 . 17136 1 1047 . 1 1 103 103 GLU HG3 H 1 2.194 0.03 . 2 . . . . 103 E HG2 . 17136 1 1048 . 1 1 103 103 GLU CA C 13 55.330 0.3 . 1 . . . . 103 E CA . 17136 1 1049 . 1 1 103 103 GLU CB C 13 28.720 0.3 . 1 . . . . 103 E CB . 17136 1 1050 . 1 1 103 103 GLU CG C 13 36.485 0.3 . 1 . . . . 103 E CG . 17136 1 1051 . 1 1 103 103 GLU N N 15 121.090 0.3 . 1 . . . . 103 E N . 17136 1 1052 . 1 1 104 104 VAL H H 1 7.052 0.03 . 1 . . . . 104 V HN . 17136 1 1053 . 1 1 104 104 VAL HA H 1 4.533 0.03 . 1 . . . . 104 V HA . 17136 1 1054 . 1 1 104 104 VAL HB H 1 1.844 0.03 . 1 . . . . 104 V HB . 17136 1 1055 . 1 1 104 104 VAL HG11 H 1 0.581 0.03 . 2 . . . . 104 V HG11 . 17136 1 1056 . 1 1 104 104 VAL HG12 H 1 0.581 0.03 . 2 . . . . 104 V HG11 . 17136 1 1057 . 1 1 104 104 VAL HG13 H 1 0.581 0.03 . 2 . . . . 104 V HG11 . 17136 1 1058 . 1 1 104 104 VAL HG21 H 1 1.020 0.03 . 2 . . . . 104 V HG21 . 17136 1 1059 . 1 1 104 104 VAL HG22 H 1 1.020 0.03 . 2 . . . . 104 V HG21 . 17136 1 1060 . 1 1 104 104 VAL HG23 H 1 1.020 0.03 . 2 . . . . 104 V HG21 . 17136 1 1061 . 1 1 104 104 VAL CA C 13 61.280 0.3 . 1 . . . . 104 V CA . 17136 1 1062 . 1 1 104 104 VAL CB C 13 34.810 0.3 . 1 . . . . 104 V CB . 17136 1 1063 . 1 1 104 104 VAL CG1 C 13 21.128 0.3 . 1 . . . . 104 V CG1 . 17136 1 1064 . 1 1 104 104 VAL CG2 C 13 22.283 0.3 . 1 . . . . 104 V CG2 . 17136 1 1065 . 1 1 104 104 VAL N N 15 121.970 0.3 . 1 . . . . 104 V N . 17136 1 1066 . 1 1 105 105 ALA H H 1 8.773 0.03 . 1 . . . . 105 A HN . 17136 1 1067 . 1 1 105 105 ALA HA H 1 4.291 0.03 . 1 . . . . 105 A HA . 17136 1 1068 . 1 1 105 105 ALA HB1 H 1 0.925 0.03 . 1 . . . . 105 A HB1 . 17136 1 1069 . 1 1 105 105 ALA HB2 H 1 0.925 0.03 . 1 . . . . 105 A HB1 . 17136 1 1070 . 1 1 105 105 ALA HB3 H 1 0.925 0.03 . 1 . . . . 105 A HB1 . 17136 1 1071 . 1 1 105 105 ALA CA C 13 49.550 0.3 . 1 . . . . 105 A CA . 17136 1 1072 . 1 1 105 105 ALA CB C 13 22.710 0.3 . 1 . . . . 105 A CB . 17136 1 1073 . 1 1 105 105 ALA N N 15 129.580 0.3 . 1 . . . . 105 A N . 17136 1 1074 . 1 1 106 106 TYR H H 1 8.133 0.03 . 1 . . . . 106 Y HN . 17136 1 1075 . 1 1 106 106 TYR HA H 1 4.289 0.03 . 1 . . . . 106 Y HA . 17136 1 1076 . 1 1 106 106 TYR HB2 H 1 2.583 0.03 . 2 . . . . 106 Y HB1 . 17136 1 1077 . 1 1 106 106 TYR HB3 H 1 3.050 0.03 . 2 . . . . 106 Y HB2 . 17136 1 1078 . 1 1 106 106 TYR CA C 13 57.050 0.3 . 1 . . . . 106 Y CA . 17136 1 1079 . 1 1 106 106 TYR CB C 13 41.560 0.3 . 1 . . . . 106 Y CB . 17136 1 1080 . 1 1 106 106 TYR N N 15 116.530 0.3 . 1 . . . . 106 Y N . 17136 1 1081 . 1 1 107 107 GLY H H 1 8.835 0.03 . 1 . . . . 107 G HN . 17136 1 1082 . 1 1 107 107 GLY HA2 H 1 3.768 0.03 . 2 . . . . 107 G HA1 . 17136 1 1083 . 1 1 107 107 GLY HA3 H 1 4.277 0.03 . 2 . . . . 107 G HA2 . 17136 1 1084 . 1 1 107 107 GLY CA C 13 44.510 0.3 . 1 . . . . 107 G CA . 17136 1 1085 . 1 1 107 107 GLY N N 15 110.580 0.3 . 1 . . . . 107 G N . 17136 1 1086 . 1 1 108 108 ALA H H 1 7.849 0.03 . 1 . . . . 108 A HN . 17136 1 1087 . 1 1 108 108 ALA HA H 1 4.167 0.03 . 1 . . . . 108 A HA . 17136 1 1088 . 1 1 108 108 ALA HB1 H 1 1.310 0.03 . 1 . . . . 108 A HB1 . 17136 1 1089 . 1 1 108 108 ALA HB2 H 1 1.310 0.03 . 1 . . . . 108 A HB1 . 17136 1 1090 . 1 1 108 108 ALA HB3 H 1 1.310 0.03 . 1 . . . . 108 A HB1 . 17136 1 1091 . 1 1 108 108 ALA CA C 13 53.900 0.3 . 1 . . . . 108 A CA . 17136 1 1092 . 1 1 108 108 ALA CB C 13 20.030 0.3 . 1 . . . . 108 A CB . 17136 1 1093 . 1 1 108 108 ALA N N 15 126.410 0.3 . 1 . . . . 108 A N . 17136 1 stop_ save_