data_16164 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16164 _Entry.Title ; Solution structure of XcpT, the main component of the type 2 secretion system of Pseudomonas aeruginosa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-02-10 _Entry.Accession_date 2009-02-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _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 Sebastien Alphonse . . . 16164 2 Eric Durand . . . 16164 3 Badreddine Douzi . . . 16164 4 Herve Darbon . . . 16164 5 Alain Filloux . . . 16164 6 Rome Voulhoux . . . 16164 7 Cedric Bernard . . . 16164 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16164 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 16164 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16164 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 387 16164 '15N chemical shifts' 116 16164 '1H chemical shifts' 716 16164 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 3 . . 2010-06-02 2009-02-10 update BMRB 'edit assembly name' 16164 2 . . 2010-02-09 2009-02-10 update BMRB 'complete entry citation' 16164 1 . . 2009-10-16 2009-02-10 original author 'original release' 16164 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KEP 'BMRB Entry Tracking System' 16164 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 16164 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19747550 _Citation.Full_citation . _Citation.Title 'Structure of the Pseudomonas aeruginosa XcpT pseudopilin, a major component of the type II secretion system.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Struct. Biol.' _Citation.Journal_name_full 'Journal of structural biology' _Citation.Journal_volume 169 _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 75 _Citation.Page_last 80 _Citation.Year 2010 _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 Sebastien Alphonse . . . 16164 1 2 Eric Durand . . . 16164 1 3 Badreddine Douzi . . . 16164 1 4 Brigitte Waegele . . . 16164 1 5 Herve Darbon . . . 16164 1 6 Alain Filloux . . . 16164 1 7 Rome Voulhoux . . . 16164 1 8 Cedric Bernard . . . 16164 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16164 _Assembly.ID 1 _Assembly.Name XcpT _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 XcpT 1 $XcpT A . yes native no no . . . 16164 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_XcpT _Entity.Sf_category entity _Entity.Sf_framecode XcpT _Entity.Entry_ID 16164 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name XcpT _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSRPDQAKVTVAKGDIKAIA AALDMYKLDNFAYPSTQQGL EALVKKPTGNPQPKNWNKDG YLKKLPVDPWGNPYQYLAPG TKGPFDLYSLGADGKEGGSD NDADIGNWDN ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11957.407 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KEP . "Solution Structure Of Xcpt, The Main Component Of The Type 2 Secretion System Of Pseudomonas Aeruginosa" . . . . . 100.00 110 100.00 100.00 4.05e-71 . . . . 16164 1 2 no DBJ BAK91055 . "general secretion pathway protein G [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 100.00 142 99.09 100.00 1.15e-71 . . . . 16164 1 3 no DBJ BAP22292 . "general secretion pathway protein G [Pseudomonas aeruginosa]" . . . . . 100.00 142 99.09 100.00 1.15e-71 . . . . 16164 1 4 no DBJ BAP49919 . "general secretion pathway protein G [Pseudomonas aeruginosa]" . . . . . 100.00 142 99.09 100.00 1.15e-71 . . . . 16164 1 5 no DBJ BAQ38804 . "general secretion pathway protein G [Pseudomonas aeruginosa]" . . . . . 100.00 142 99.09 100.00 1.15e-71 . . . . 16164 1 6 no DBJ BAR66863 . "type II secretion system protein G [Pseudomonas aeruginosa]" . . . . . 100.00 142 100.00 100.00 4.44e-72 . . . . 16164 1 7 no EMBL CAA44535 . "secretion protein XcpT [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 142 100.00 100.00 4.44e-72 . . . . 16164 1 8 no EMBL CAW26687 . "general secretion pathway protein G [Pseudomonas aeruginosa LESB58]" . . . . . 100.00 148 100.00 100.00 4.57e-72 . . . . 16164 1 9 no EMBL CCQ87087 . "General secretion pathway protein G [Pseudomonas aeruginosa 18A]" . . . . . 100.00 142 100.00 100.00 4.44e-72 . . . . 16164 1 10 no EMBL CDH70211 . "Type II secretion system protein G [Pseudomonas aeruginosa MH38]" . . . . . 100.00 148 99.09 99.09 2.32e-71 . . . . 16164 1 11 no EMBL CDH76300 . "Type II secretion system protein G [Pseudomonas aeruginosa MH27]" . . . . . 100.00 148 99.09 100.00 1.15e-71 . . . . 16164 1 12 no GB AAA25946 . "PilD-dependent protein [Pseudomonas aeruginosa PAK]" . . . . . 100.00 142 99.09 100.00 1.04e-71 . . . . 16164 1 13 no GB AAG06489 . "general secretion pathway protein G [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 148 100.00 100.00 4.57e-72 . . . . 16164 1 14 no GB AAT49508 . "PA3101, partial [synthetic construct]" . . . . . 100.00 149 99.09 99.09 1.11e-70 . . . . 16164 1 15 no GB ABJ12333 . "general secretion pathway protein G [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 100.00 148 99.09 100.00 1.15e-71 . . . . 16164 1 16 no GB ABR84270 . "general secretion pathway protein G [Pseudomonas aeruginosa PA7]" . . . . . 100.00 142 100.00 100.00 4.44e-72 . . . . 16164 1 17 no REF NP_251791 . "type II secretion system protein G [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 148 100.00 100.00 4.57e-72 . . . . 16164 1 18 no REF WP_003119751 . "type II secretion system protein GspG [Pseudomonas aeruginosa]" . . . . . 100.00 148 100.00 100.00 4.57e-72 . . . . 16164 1 19 no REF WP_042115257 . "MULTISPECIES: type II secretion system protein GspG [Pseudomonas]" . . . . . 100.00 128 99.09 100.00 2.49e-71 . . . . 16164 1 20 no REF WP_042159357 . "MULTISPECIES: type II secretion system protein GspG [Pseudomonas]" . . . . . 100.00 128 100.00 100.00 1.04e-71 . . . . 16164 1 21 no REF WP_045175661 . "MULTISPECIES: type II secretion system protein GspG [Pseudomonas aeruginosa group]" . . . . . 100.00 128 99.09 99.09 6.35e-71 . . . . 16164 1 22 no SP Q00514 . "RecName: Full=Type II secretion system protein G; Short=T2SS protein G; AltName: Full=General secretion pathway protein G; AltN" . . . . . 100.00 142 100.00 100.00 4.44e-72 . . . . 16164 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 39 MET . 16164 1 2 40 SER . 16164 1 3 41 ARG . 16164 1 4 42 PRO . 16164 1 5 43 ASP . 16164 1 6 44 GLN . 16164 1 7 45 ALA . 16164 1 8 46 LYS . 16164 1 9 47 VAL . 16164 1 10 48 THR . 16164 1 11 49 VAL . 16164 1 12 50 ALA . 16164 1 13 51 LYS . 16164 1 14 52 GLY . 16164 1 15 53 ASP . 16164 1 16 54 ILE . 16164 1 17 55 LYS . 16164 1 18 56 ALA . 16164 1 19 57 ILE . 16164 1 20 58 ALA . 16164 1 21 59 ALA . 16164 1 22 60 ALA . 16164 1 23 61 LEU . 16164 1 24 62 ASP . 16164 1 25 63 MET . 16164 1 26 64 TYR . 16164 1 27 65 LYS . 16164 1 28 66 LEU . 16164 1 29 67 ASP . 16164 1 30 68 ASN . 16164 1 31 69 PHE . 16164 1 32 70 ALA . 16164 1 33 71 TYR . 16164 1 34 72 PRO . 16164 1 35 73 SER . 16164 1 36 74 THR . 16164 1 37 75 GLN . 16164 1 38 76 GLN . 16164 1 39 77 GLY . 16164 1 40 78 LEU . 16164 1 41 79 GLU . 16164 1 42 80 ALA . 16164 1 43 81 LEU . 16164 1 44 82 VAL . 16164 1 45 83 LYS . 16164 1 46 84 LYS . 16164 1 47 85 PRO . 16164 1 48 86 THR . 16164 1 49 87 GLY . 16164 1 50 88 ASN . 16164 1 51 89 PRO . 16164 1 52 90 GLN . 16164 1 53 91 PRO . 16164 1 54 92 LYS . 16164 1 55 93 ASN . 16164 1 56 94 TRP . 16164 1 57 95 ASN . 16164 1 58 96 LYS . 16164 1 59 97 ASP . 16164 1 60 98 GLY . 16164 1 61 99 TYR . 16164 1 62 100 LEU . 16164 1 63 101 LYS . 16164 1 64 102 LYS . 16164 1 65 103 LEU . 16164 1 66 104 PRO . 16164 1 67 105 VAL . 16164 1 68 106 ASP . 16164 1 69 107 PRO . 16164 1 70 108 TRP . 16164 1 71 109 GLY . 16164 1 72 110 ASN . 16164 1 73 111 PRO . 16164 1 74 112 TYR . 16164 1 75 113 GLN . 16164 1 76 114 TYR . 16164 1 77 115 LEU . 16164 1 78 116 ALA . 16164 1 79 117 PRO . 16164 1 80 118 GLY . 16164 1 81 119 THR . 16164 1 82 120 LYS . 16164 1 83 121 GLY . 16164 1 84 122 PRO . 16164 1 85 123 PHE . 16164 1 86 124 ASP . 16164 1 87 125 LEU . 16164 1 88 126 TYR . 16164 1 89 127 SER . 16164 1 90 128 LEU . 16164 1 91 129 GLY . 16164 1 92 130 ALA . 16164 1 93 131 ASP . 16164 1 94 132 GLY . 16164 1 95 133 LYS . 16164 1 96 134 GLU . 16164 1 97 135 GLY . 16164 1 98 136 GLY . 16164 1 99 137 SER . 16164 1 100 138 ASP . 16164 1 101 139 ASN . 16164 1 102 140 ASP . 16164 1 103 141 ALA . 16164 1 104 142 ASP . 16164 1 105 143 ILE . 16164 1 106 144 GLY . 16164 1 107 145 ASN . 16164 1 108 146 TRP . 16164 1 109 147 ASP . 16164 1 110 148 ASN . 16164 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 16164 1 . SER 2 2 16164 1 . ARG 3 3 16164 1 . PRO 4 4 16164 1 . ASP 5 5 16164 1 . GLN 6 6 16164 1 . ALA 7 7 16164 1 . LYS 8 8 16164 1 . VAL 9 9 16164 1 . THR 10 10 16164 1 . VAL 11 11 16164 1 . ALA 12 12 16164 1 . LYS 13 13 16164 1 . GLY 14 14 16164 1 . ASP 15 15 16164 1 . ILE 16 16 16164 1 . LYS 17 17 16164 1 . ALA 18 18 16164 1 . ILE 19 19 16164 1 . ALA 20 20 16164 1 . ALA 21 21 16164 1 . ALA 22 22 16164 1 . LEU 23 23 16164 1 . ASP 24 24 16164 1 . MET 25 25 16164 1 . TYR 26 26 16164 1 . LYS 27 27 16164 1 . LEU 28 28 16164 1 . ASP 29 29 16164 1 . ASN 30 30 16164 1 . PHE 31 31 16164 1 . ALA 32 32 16164 1 . TYR 33 33 16164 1 . PRO 34 34 16164 1 . SER 35 35 16164 1 . THR 36 36 16164 1 . GLN 37 37 16164 1 . GLN 38 38 16164 1 . GLY 39 39 16164 1 . LEU 40 40 16164 1 . GLU 41 41 16164 1 . ALA 42 42 16164 1 . LEU 43 43 16164 1 . VAL 44 44 16164 1 . LYS 45 45 16164 1 . LYS 46 46 16164 1 . PRO 47 47 16164 1 . THR 48 48 16164 1 . GLY 49 49 16164 1 . ASN 50 50 16164 1 . PRO 51 51 16164 1 . GLN 52 52 16164 1 . PRO 53 53 16164 1 . LYS 54 54 16164 1 . ASN 55 55 16164 1 . TRP 56 56 16164 1 . ASN 57 57 16164 1 . LYS 58 58 16164 1 . ASP 59 59 16164 1 . GLY 60 60 16164 1 . TYR 61 61 16164 1 . LEU 62 62 16164 1 . LYS 63 63 16164 1 . LYS 64 64 16164 1 . LEU 65 65 16164 1 . PRO 66 66 16164 1 . VAL 67 67 16164 1 . ASP 68 68 16164 1 . PRO 69 69 16164 1 . TRP 70 70 16164 1 . GLY 71 71 16164 1 . ASN 72 72 16164 1 . PRO 73 73 16164 1 . TYR 74 74 16164 1 . GLN 75 75 16164 1 . TYR 76 76 16164 1 . LEU 77 77 16164 1 . ALA 78 78 16164 1 . PRO 79 79 16164 1 . GLY 80 80 16164 1 . THR 81 81 16164 1 . LYS 82 82 16164 1 . GLY 83 83 16164 1 . PRO 84 84 16164 1 . PHE 85 85 16164 1 . ASP 86 86 16164 1 . LEU 87 87 16164 1 . TYR 88 88 16164 1 . SER 89 89 16164 1 . LEU 90 90 16164 1 . GLY 91 91 16164 1 . ALA 92 92 16164 1 . ASP 93 93 16164 1 . GLY 94 94 16164 1 . LYS 95 95 16164 1 . GLU 96 96 16164 1 . GLY 97 97 16164 1 . GLY 98 98 16164 1 . SER 99 99 16164 1 . ASP 100 100 16164 1 . ASN 101 101 16164 1 . ASP 102 102 16164 1 . ALA 103 103 16164 1 . ASP 104 104 16164 1 . ILE 105 105 16164 1 . GLY 106 106 16164 1 . ASN 107 107 16164 1 . TRP 108 108 16164 1 . ASP 109 109 16164 1 . ASN 110 110 16164 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 16164 _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 $XcpT . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa PAO1 . . . . . . . . . . . . . . . xcpT . . . . 16164 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 16164 _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 $XcpT . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-pLysS(DE3) . . . . . . . . . . . . . . . peT22b . . . . . . 16164 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_cold _Sample.Sf_category sample _Sample.Sf_framecode sample_cold _Sample.Entry_ID 16164 _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 XcpT 'natural abundance' . . 1 $XcpT . . 1.3 . . mM . . . . 16164 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16164 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16164 1 stop_ save_ save_sample_15N _Sample.Sf_category sample _Sample.Sf_framecode sample_15N _Sample.Entry_ID 16164 _Sample.ID 2 _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 XcpT [U-15N] . . 1 $XcpT . . 0.9 . . mM . . . . 16164 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16164 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16164 2 stop_ save_ save_sample_15N-d2O _Sample.Sf_category sample _Sample.Sf_framecode sample_15N-d2O _Sample.Entry_ID 16164 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 XcpT [U-15N] . . 1 $XcpT . . 0.9 . . mM . . . . 16164 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16164 3 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16164 3 stop_ save_ save_sample_15N-13C _Sample.Sf_category sample _Sample.Sf_framecode sample_15N-13C _Sample.Entry_ID 16164 _Sample.ID 4 _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 XcpT '[U-13C; U-15N]' . . 1 $XcpT . . 0.9 . . mM . . . . 16164 4 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16164 4 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16164 4 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 16164 _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' 200 . mM 16164 1 pH 7 . pH 16164 1 pressure 1.0 . atm 16164 1 temperature 290 . K 16164 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 16164 _Sample_condition_list.ID 2 _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' 200 . mM 16164 2 pH 7 . pH 16164 2 pressure 1.0 . atm 16164 2 temperature 300 . K 16164 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16164 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16164 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16164 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16164 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16164 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16164 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16164 _Software.ID 3 _Software.Name NMRView _Software.Version 5.2.2.01 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16164 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16164 3 'data analysis' 16164 3 'peak picking' 16164 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16164 _Software.ID 4 _Software.Name TALOS _Software.Version 3.851 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16164 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16164 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16164 _Software.ID 5 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16164 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16164 5 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16164 _Software.ID 6 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16164 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16164 6 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 16164 _Software.ID 7 _Software.Name ProcheckNMR _Software.Version 3.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 16164 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16164 7 stop_ save_ save_WhatIF _Software.Sf_category software _Software.Sf_framecode WhatIF _Software.Entry_ID 16164 _Software.ID 8 _Software.Name WhatIF _Software.Version 20080408-2247 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Vriend . . 16164 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16164 8 stop_ save_ save_QUEEN _Software.Sf_category software _Software.Sf_framecode QUEEN _Software.Entry_ID 16164 _Software.ID 9 _Software.Name QUEEN _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Nabuurs, Spronk, Krieger, Maassen, Vriend and Vuister' . . 16164 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16164 9 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 16164 _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 16164 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16164 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 16164 _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 . . . 16164 1 2 spectrometer_2 Bruker Avance . 500 . . . 16164 1 3 spectrometer_3 Bruker Avance . 900 . . . 16164 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 16164 _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-1H TOCSY' no . . . . . . . . . . 1 $sample_cold isotropic . . 2 $sample_conditions_2 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16164 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_cold isotropic . . 2 $sample_conditions_2 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16164 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16164 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16164 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 4 $sample_15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16164 1 6 '3D HNCO' no . . . . . . . . . . 4 $sample_15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16164 1 7 '3D HNCA' no . . . . . . . . . . 4 $sample_15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16164 1 8 '3D HNCACB' no . . . . . . . . . . 4 $sample_15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16164 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 4 $sample_15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16164 1 10 '3D HN(CO)CA' no . . . . . . . . . . 4 $sample_15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16164 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16164 1 12 '3D HNHA' no . . . . . . . . . . 2 $sample_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16164 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16164 1 14 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16164 1 15 '3D HNHB' no . . . . . . . . . . 4 $sample_15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16164 1 16 '3D HCACO' no . . . . . . . . . . 4 $sample_15N-13C isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16164 1 17 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_15N-d2O isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16164 1 18 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $sample_15N-d2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16164 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 16164 _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 carbons' . . . . ppm 0 external indirect 0.251449537 . . . . . . . . . 16164 1 H 1 water protons . . . . ppm 4.689 internal direct 1.0 . . . . . . . . . 16164 1 N 15 '[15N] ammonium nitrate' nitrogen . . . . ppm 0 external indirect 0.101329112 . . . . . . . . . 16164 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 16164 _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 2 '2D 1H-1H NOESY' . . . 16164 1 5 '3D CBCA(CO)NH' . . . 16164 1 8 '3D HNCACB' . . . 16164 1 13 '3D 1H-15N NOESY' . . . 16164 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.371 0.020 . 1 . . . . 39 MET H . 16164 1 2 . 1 1 1 1 MET HA H 1 4.354 0.020 . 1 . . . . 39 MET HA . 16164 1 3 . 1 1 1 1 MET HB2 H 1 1.895 0.020 . 2 . . . . 39 MET HB2 . 16164 1 4 . 1 1 1 1 MET HB3 H 1 1.895 0.020 . 2 . . . . 39 MET HB3 . 16164 1 5 . 1 1 1 1 MET HG2 H 1 2.436 0.020 . 2 . . . . 39 MET HG2 . 16164 1 6 . 1 1 1 1 MET HG3 H 1 2.436 0.020 . 2 . . . . 39 MET HG3 . 16164 1 7 . 1 1 1 1 MET C C 13 173.308 0.400 . 1 . . . . 39 MET C . 16164 1 8 . 1 1 1 1 MET CA C 13 52.749 0.400 . 1 . . . . 39 MET CA . 16164 1 9 . 1 1 1 1 MET CB C 13 30.876 0.400 . 1 . . . . 39 MET CB . 16164 1 10 . 1 1 1 1 MET N N 15 124.538 0.400 . 1 . . . . 39 MET N . 16164 1 11 . 1 1 2 2 SER H H 1 8.461 0.020 . 1 . . . . 40 SER H . 16164 1 12 . 1 1 2 2 SER HA H 1 4.286 0.020 . 1 . . . . 40 SER HA . 16164 1 13 . 1 1 2 2 SER HB2 H 1 3.734 0.020 . 2 . . . . 40 SER HB2 . 16164 1 14 . 1 1 2 2 SER HB3 H 1 3.734 0.020 . 2 . . . . 40 SER HB3 . 16164 1 15 . 1 1 2 2 SER C C 13 171.276 0.400 . 1 . . . . 40 SER C . 16164 1 16 . 1 1 2 2 SER CA C 13 55.249 0.400 . 1 . . . . 40 SER CA . 16164 1 17 . 1 1 2 2 SER CB C 13 61.498 0.400 . 1 . . . . 40 SER CB . 16164 1 18 . 1 1 2 2 SER N N 15 118.344 0.400 . 1 . . . . 40 SER N . 16164 1 19 . 1 1 3 3 ARG H H 1 8.469 0.020 . 1 . . . . 41 ARG H . 16164 1 20 . 1 1 3 3 ARG HA H 1 4.400 0.020 . 1 . . . . 41 ARG HA . 16164 1 21 . 1 1 3 3 ARG HB2 H 1 1.648 0.020 . 2 . . . . 41 ARG HB2 . 16164 1 22 . 1 1 3 3 ARG HB3 H 1 1.648 0.020 . 2 . . . . 41 ARG HB3 . 16164 1 23 . 1 1 3 3 ARG HG2 H 1 1.749 0.020 . 2 . . . . 41 ARG HG2 . 16164 1 24 . 1 1 3 3 ARG HG3 H 1 1.749 0.020 . 2 . . . . 41 ARG HG3 . 16164 1 25 . 1 1 3 3 ARG C C 13 172.251 0.400 . 1 . . . . 41 ARG C . 16164 1 26 . 1 1 3 3 ARG CA C 13 52.749 0.400 . 1 . . . . 41 ARG CA . 16164 1 27 . 1 1 3 3 ARG CB C 13 27.126 0.400 . 1 . . . . 41 ARG CB . 16164 1 28 . 1 1 3 3 ARG N N 15 123.070 0.400 . 1 . . . . 41 ARG N . 16164 1 29 . 1 1 4 4 PRO HB2 H 1 2.166 0.020 . 2 . . . . 42 PRO HB2 . 16164 1 30 . 1 1 4 4 PRO HB3 H 1 1.763 0.020 . 2 . . . . 42 PRO HB3 . 16164 1 31 . 1 1 4 4 PRO HD2 H 1 3.627 0.020 . 2 . . . . 42 PRO HD2 . 16164 1 32 . 1 1 4 4 PRO HD3 H 1 3.627 0.020 . 2 . . . . 42 PRO HD3 . 16164 1 33 . 1 1 4 4 PRO CA C 13 61.498 0.400 . 1 . . . . 42 PRO CA . 16164 1 34 . 1 1 4 4 PRO CB C 13 29.001 0.400 . 1 . . . . 42 PRO CB . 16164 1 35 . 1 1 4 4 PRO CD C 13 47.749 0.400 . 1 . . . . 42 PRO CD . 16164 1 36 . 1 1 4 4 PRO CG C 13 24.626 0.400 . 1 . . . . 42 PRO CG . 16164 1 37 . 1 1 5 5 ASP H H 1 8.246 0.020 . 1 . . . . 43 ASP H . 16164 1 38 . 1 1 5 5 ASP HA H 1 4.329 0.020 . 1 . . . . 43 ASP HA . 16164 1 39 . 1 1 5 5 ASP HB2 H 1 2.881 0.020 . 2 . . . . 43 ASP HB2 . 16164 1 40 . 1 1 5 5 ASP HB3 H 1 2.787 0.020 . 2 . . . . 43 ASP HB3 . 16164 1 41 . 1 1 5 5 ASP C C 13 174.605 0.400 . 1 . . . . 43 ASP C . 16164 1 42 . 1 1 5 5 ASP CA C 13 53.374 0.400 . 1 . . . . 43 ASP CA . 16164 1 43 . 1 1 5 5 ASP CB C 13 38.375 0.400 . 1 . . . . 43 ASP CB . 16164 1 44 . 1 1 5 5 ASP N N 15 119.409 0.400 . 1 . . . . 43 ASP N . 16164 1 45 . 1 1 6 6 GLN H H 1 8.309 0.020 . 1 . . . . 44 GLN H . 16164 1 46 . 1 1 6 6 GLN HA H 1 4.393 0.020 . 1 . . . . 44 GLN HA . 16164 1 47 . 1 1 6 6 GLN HB2 H 1 2.177 0.020 . 2 . . . . 44 GLN HB2 . 16164 1 48 . 1 1 6 6 GLN HB3 H 1 2.177 0.020 . 2 . . . . 44 GLN HB3 . 16164 1 49 . 1 1 6 6 GLN HE21 H 1 6.487 0.020 . 2 . . . . 44 GLN HE21 . 16164 1 50 . 1 1 6 6 GLN HE22 H 1 6.687 0.020 . 2 . . . . 44 GLN HE22 . 16164 1 51 . 1 1 6 6 GLN HG2 H 1 2.346 0.020 . 2 . . . . 44 GLN HG2 . 16164 1 52 . 1 1 6 6 GLN HG3 H 1 2.346 0.020 . 2 . . . . 44 GLN HG3 . 16164 1 53 . 1 1 6 6 GLN C C 13 175.053 0.400 . 1 . . . . 44 GLN C . 16164 1 54 . 1 1 6 6 GLN CA C 13 55.874 0.400 . 1 . . . . 44 GLN CA . 16164 1 55 . 1 1 6 6 GLN CB C 13 25.876 0.400 . 1 . . . . 44 GLN CB . 16164 1 56 . 1 1 6 6 GLN CG C 13 31.501 0.400 . 1 . . . . 44 GLN CG . 16164 1 57 . 1 1 6 6 GLN N N 15 122.273 0.400 . 1 . . . . 44 GLN N . 16164 1 58 . 1 1 6 6 GLN NE2 N 15 109.494 0.400 . 1 . . . . 44 GLN NE2 . 16164 1 59 . 1 1 7 7 ALA H H 1 8.106 0.020 . 1 . . . . 45 ALA H . 16164 1 60 . 1 1 7 7 ALA HA H 1 3.993 0.020 . 1 . . . . 45 ALA HA . 16164 1 61 . 1 1 7 7 ALA HB1 H 1 1.304 0.020 . 1 . . . . 45 ALA HB . 16164 1 62 . 1 1 7 7 ALA HB2 H 1 1.304 0.020 . 1 . . . . 45 ALA HB . 16164 1 63 . 1 1 7 7 ALA HB3 H 1 1.304 0.020 . 1 . . . . 45 ALA HB . 16164 1 64 . 1 1 7 7 ALA C C 13 177.465 0.400 . 1 . . . . 45 ALA C . 16164 1 65 . 1 1 7 7 ALA CA C 13 52.124 0.400 . 1 . . . . 45 ALA CA . 16164 1 66 . 1 1 7 7 ALA CB C 13 15.252 0.400 . 1 . . . . 45 ALA CB . 16164 1 67 . 1 1 7 7 ALA N N 15 122.204 0.400 . 1 . . . . 45 ALA N . 16164 1 68 . 1 1 8 8 LYS H H 1 7.527 0.020 . 1 . . . . 46 LYS H . 16164 1 69 . 1 1 8 8 LYS HA H 1 3.539 0.020 . 1 . . . . 46 LYS HA . 16164 1 70 . 1 1 8 8 LYS HB2 H 1 1.658 0.020 . 2 . . . . 46 LYS HB2 . 16164 1 71 . 1 1 8 8 LYS HB3 H 1 1.658 0.020 . 2 . . . . 46 LYS HB3 . 16164 1 72 . 1 1 8 8 LYS HD2 H 1 1.412 0.020 . 2 . . . . 46 LYS HD2 . 16164 1 73 . 1 1 8 8 LYS HD3 H 1 1.412 0.020 . 2 . . . . 46 LYS HD3 . 16164 1 74 . 1 1 8 8 LYS HE2 H 1 2.571 0.020 . 2 . . . . 46 LYS HE2 . 16164 1 75 . 1 1 8 8 LYS HE3 H 1 2.571 0.020 . 2 . . . . 46 LYS HE3 . 16164 1 76 . 1 1 8 8 LYS HG2 H 1 0.728 0.020 . 2 . . . . 46 LYS HG2 . 16164 1 77 . 1 1 8 8 LYS HG3 H 1 0.728 0.020 . 2 . . . . 46 LYS HG3 . 16164 1 78 . 1 1 8 8 LYS C C 13 175.412 0.400 . 1 . . . . 46 LYS C . 16164 1 79 . 1 1 8 8 LYS CA C 13 57.124 0.400 . 1 . . . . 46 LYS CA . 16164 1 80 . 1 1 8 8 LYS CB C 13 30.876 0.400 . 1 . . . . 46 LYS CB . 16164 1 81 . 1 1 8 8 LYS CE C 13 39.625 0.400 . 1 . . . . 46 LYS CE . 16164 1 82 . 1 1 8 8 LYS CG C 13 23.376 0.400 . 1 . . . . 46 LYS CG . 16164 1 83 . 1 1 8 8 LYS N N 15 117.358 0.400 . 1 . . . . 46 LYS N . 16164 1 84 . 1 1 9 9 VAL H H 1 7.709 0.020 . 1 . . . . 47 VAL H . 16164 1 85 . 1 1 9 9 VAL HA H 1 3.578 0.020 . 1 . . . . 47 VAL HA . 16164 1 86 . 1 1 9 9 VAL HB H 1 2.151 0.020 . 1 . . . . 47 VAL HB . 16164 1 87 . 1 1 9 9 VAL HG11 H 1 0.903 0.020 . 2 . . . . 47 VAL HG1 . 16164 1 88 . 1 1 9 9 VAL HG12 H 1 0.903 0.020 . 2 . . . . 47 VAL HG1 . 16164 1 89 . 1 1 9 9 VAL HG13 H 1 0.903 0.020 . 2 . . . . 47 VAL HG1 . 16164 1 90 . 1 1 9 9 VAL HG21 H 1 1.138 0.020 . 2 . . . . 47 VAL HG2 . 16164 1 91 . 1 1 9 9 VAL HG22 H 1 1.138 0.020 . 2 . . . . 47 VAL HG2 . 16164 1 92 . 1 1 9 9 VAL HG23 H 1 1.138 0.020 . 2 . . . . 47 VAL HG2 . 16164 1 93 . 1 1 9 9 VAL C C 13 175.005 0.400 . 1 . . . . 47 VAL C . 16164 1 94 . 1 1 9 9 VAL CA C 13 64.623 0.400 . 1 . . . . 47 VAL CA . 16164 1 95 . 1 1 9 9 VAL CB C 13 29.001 0.400 . 1 . . . . 47 VAL CB . 16164 1 96 . 1 1 9 9 VAL CG1 C 13 17.751 0.400 . 1 . . . . 47 VAL CG1 . 16164 1 97 . 1 1 9 9 VAL CG2 C 13 20.876 0.400 . 1 . . . . 47 VAL CG2 . 16164 1 98 . 1 1 9 9 VAL N N 15 119.115 0.400 . 1 . . . . 47 VAL N . 16164 1 99 . 1 1 10 10 THR H H 1 7.767 0.020 . 1 . . . . 48 THR H . 16164 1 100 . 1 1 10 10 THR HA H 1 3.668 0.020 . 1 . . . . 48 THR HA . 16164 1 101 . 1 1 10 10 THR HB H 1 4.148 0.020 . 1 . . . . 48 THR HB . 16164 1 102 . 1 1 10 10 THR HG21 H 1 1.082 0.020 . 1 . . . . 48 THR HG2 . 16164 1 103 . 1 1 10 10 THR HG22 H 1 1.082 0.020 . 1 . . . . 48 THR HG2 . 16164 1 104 . 1 1 10 10 THR HG23 H 1 1.082 0.020 . 1 . . . . 48 THR HG2 . 16164 1 105 . 1 1 10 10 THR CA C 13 63.998 0.400 . 1 . . . . 48 THR CA . 16164 1 106 . 1 1 10 10 THR CB C 13 67.123 0.400 . 1 . . . . 48 THR CB . 16164 1 107 . 1 1 10 10 THR CG2 C 13 19.001 0.400 . 1 . . . . 48 THR CG2 . 16164 1 108 . 1 1 10 10 THR N N 15 115.112 0.400 . 1 . . . . 48 THR N . 16164 1 109 . 1 1 11 11 VAL H H 1 7.598 0.020 . 1 . . . . 49 VAL H . 16164 1 110 . 1 1 11 11 VAL HA H 1 3.457 0.020 . 1 . . . . 49 VAL HA . 16164 1 111 . 1 1 11 11 VAL HB H 1 1.855 0.020 . 1 . . . . 49 VAL HB . 16164 1 112 . 1 1 11 11 VAL HG11 H 1 0.733 0.020 . 2 . . . . 49 VAL HG1 . 16164 1 113 . 1 1 11 11 VAL HG12 H 1 0.733 0.020 . 2 . . . . 49 VAL HG1 . 16164 1 114 . 1 1 11 11 VAL HG13 H 1 0.733 0.020 . 2 . . . . 49 VAL HG1 . 16164 1 115 . 1 1 11 11 VAL HG21 H 1 0.839 0.020 . 2 . . . . 49 VAL HG2 . 16164 1 116 . 1 1 11 11 VAL HG22 H 1 0.839 0.020 . 2 . . . . 49 VAL HG2 . 16164 1 117 . 1 1 11 11 VAL HG23 H 1 0.839 0.020 . 2 . . . . 49 VAL HG2 . 16164 1 118 . 1 1 11 11 VAL C C 13 175.412 0.400 . 1 . . . . 49 VAL C . 16164 1 119 . 1 1 11 11 VAL CA C 13 63.998 0.400 . 1 . . . . 49 VAL CA . 16164 1 120 . 1 1 11 11 VAL CB C 13 29.001 0.400 . 1 . . . . 49 VAL CB . 16164 1 121 . 1 1 11 11 VAL CG1 C 13 20.876 0.400 . 1 . . . . 49 VAL CG1 . 16164 1 122 . 1 1 11 11 VAL CG2 C 13 18.376 0.400 . 1 . . . . 49 VAL CG2 . 16164 1 123 . 1 1 11 11 VAL N N 15 123.694 0.400 . 1 . . . . 49 VAL N . 16164 1 124 . 1 1 12 12 ALA H H 1 8.176 0.020 . 1 . . . . 50 ALA H . 16164 1 125 . 1 1 12 12 ALA HA H 1 4.742 0.020 . 1 . . . . 50 ALA HA . 16164 1 126 . 1 1 12 12 ALA HB1 H 1 1.581 0.020 . 1 . . . . 50 ALA HB . 16164 1 127 . 1 1 12 12 ALA HB2 H 1 1.581 0.020 . 1 . . . . 50 ALA HB . 16164 1 128 . 1 1 12 12 ALA HB3 H 1 1.581 0.020 . 1 . . . . 50 ALA HB . 16164 1 129 . 1 1 12 12 ALA C C 13 177.074 0.400 . 1 . . . . 50 ALA C . 16164 1 130 . 1 1 12 12 ALA CA C 13 52.124 0.400 . 1 . . . . 50 ALA CA . 16164 1 131 . 1 1 12 12 ALA CB C 13 15.252 0.400 . 1 . . . . 50 ALA CB . 16164 1 132 . 1 1 12 12 ALA N N 15 122.348 0.400 . 1 . . . . 50 ALA N . 16164 1 133 . 1 1 13 13 LYS H H 1 8.499 0.020 . 1 . . . . 51 LYS H . 16164 1 134 . 1 1 13 13 LYS HA H 1 3.648 0.020 . 1 . . . . 51 LYS HA . 16164 1 135 . 1 1 13 13 LYS HB2 H 1 1.755 0.020 . 2 . . . . 51 LYS HB2 . 16164 1 136 . 1 1 13 13 LYS HB3 H 1 1.755 0.020 . 2 . . . . 51 LYS HB3 . 16164 1 137 . 1 1 13 13 LYS HD2 H 1 1.640 0.020 . 2 . . . . 51 LYS HD2 . 16164 1 138 . 1 1 13 13 LYS HD3 H 1 1.640 0.020 . 2 . . . . 51 LYS HD3 . 16164 1 139 . 1 1 13 13 LYS HE2 H 1 2.706 0.020 . 2 . . . . 51 LYS HE2 . 16164 1 140 . 1 1 13 13 LYS HE3 H 1 2.706 0.020 . 2 . . . . 51 LYS HE3 . 16164 1 141 . 1 1 13 13 LYS HG2 H 1 0.755 0.020 . 2 . . . . 51 LYS HG2 . 16164 1 142 . 1 1 13 13 LYS HG3 H 1 0.755 0.020 . 2 . . . . 51 LYS HG3 . 16164 1 143 . 1 1 13 13 LYS C C 13 177.252 0.400 . 1 . . . . 51 LYS C . 16164 1 144 . 1 1 13 13 LYS CA C 13 58.072 0.400 . 1 . . . . 51 LYS CA . 16164 1 145 . 1 1 13 13 LYS CB C 13 30.251 0.400 . 1 . . . . 51 LYS CB . 16164 1 146 . 1 1 13 13 LYS N N 15 115.402 0.400 . 1 . . . . 51 LYS N . 16164 1 147 . 1 1 14 14 GLY H H 1 7.858 0.020 . 1 . . . . 52 GLY H . 16164 1 148 . 1 1 14 14 GLY HA2 H 1 3.823 0.020 . 2 . . . . 52 GLY HA2 . 16164 1 149 . 1 1 14 14 GLY HA3 H 1 3.676 0.020 . 2 . . . . 52 GLY HA3 . 16164 1 150 . 1 1 14 14 GLY C C 13 174.090 0.400 . 1 . . . . 52 GLY C . 16164 1 151 . 1 1 14 14 GLY CA C 13 44.625 0.400 . 1 . . . . 52 GLY CA . 16164 1 152 . 1 1 14 14 GLY N N 15 107.466 0.400 . 1 . . . . 52 GLY N . 16164 1 153 . 1 1 15 15 ASP H H 1 8.403 0.020 . 1 . . . . 53 ASP H . 16164 1 154 . 1 1 15 15 ASP HA H 1 4.191 0.020 . 1 . . . . 53 ASP HA . 16164 1 155 . 1 1 15 15 ASP HB2 H 1 3.034 0.020 . 2 . . . . 53 ASP HB2 . 16164 1 156 . 1 1 15 15 ASP HB3 H 1 3.034 0.020 . 2 . . . . 53 ASP HB3 . 16164 1 157 . 1 1 15 15 ASP C C 13 175.316 0.400 . 1 . . . . 53 ASP C . 16164 1 158 . 1 1 15 15 ASP CA C 13 54.624 0.400 . 1 . . . . 53 ASP CA . 16164 1 159 . 1 1 15 15 ASP CB C 13 35.875 0.400 . 1 . . . . 53 ASP CB . 16164 1 160 . 1 1 15 15 ASP N N 15 125.929 0.400 . 1 . . . . 53 ASP N . 16164 1 161 . 1 1 16 16 ILE H H 1 8.245 0.020 . 1 . . . . 54 ILE H . 16164 1 162 . 1 1 16 16 ILE HA H 1 3.034 0.020 . 1 . . . . 54 ILE HA . 16164 1 163 . 1 1 16 16 ILE HB H 1 1.652 0.020 . 1 . . . . 54 ILE HB . 16164 1 164 . 1 1 16 16 ILE HD11 H 1 0.572 0.020 . 1 . . . . 54 ILE HD1 . 16164 1 165 . 1 1 16 16 ILE HD12 H 1 0.572 0.020 . 1 . . . . 54 ILE HD1 . 16164 1 166 . 1 1 16 16 ILE HD13 H 1 0.572 0.020 . 1 . . . . 54 ILE HD1 . 16164 1 167 . 1 1 16 16 ILE HG12 H 1 1.490 0.020 . 2 . . . . 54 ILE HG12 . 16164 1 168 . 1 1 16 16 ILE HG13 H 1 1.490 0.020 . 2 . . . . 54 ILE HG13 . 16164 1 169 . 1 1 16 16 ILE HG21 H 1 0.627 0.020 . 1 . . . . 54 ILE HG2 . 16164 1 170 . 1 1 16 16 ILE HG22 H 1 0.627 0.020 . 1 . . . . 54 ILE HG2 . 16164 1 171 . 1 1 16 16 ILE HG23 H 1 0.627 0.020 . 1 . . . . 54 ILE HG2 . 16164 1 172 . 1 1 16 16 ILE C C 13 174.499 0.400 . 1 . . . . 54 ILE C . 16164 1 173 . 1 1 16 16 ILE CA C 13 62.748 0.400 . 1 . . . . 54 ILE CA . 16164 1 174 . 1 1 16 16 ILE CB C 13 34.625 0.400 . 1 . . . . 54 ILE CB . 16164 1 175 . 1 1 16 16 ILE CD1 C 13 13.377 0.400 . 1 . . . . 54 ILE CD1 . 16164 1 176 . 1 1 16 16 ILE CG1 C 13 28.376 0.400 . 1 . . . . 54 ILE CG1 . 16164 1 177 . 1 1 16 16 ILE CG2 C 13 14.002 0.400 . 1 . . . . 54 ILE CG2 . 16164 1 178 . 1 1 16 16 ILE N N 15 119.456 0.400 . 1 . . . . 54 ILE N . 16164 1 179 . 1 1 17 17 LYS H H 1 7.547 0.020 . 1 . . . . 55 LYS H . 16164 1 180 . 1 1 17 17 LYS HA H 1 3.843 0.020 . 1 . . . . 55 LYS HA . 16164 1 181 . 1 1 17 17 LYS HB2 H 1 1.770 0.020 . 2 . . . . 55 LYS HB2 . 16164 1 182 . 1 1 17 17 LYS HB3 H 1 1.770 0.020 . 2 . . . . 55 LYS HB3 . 16164 1 183 . 1 1 17 17 LYS HD2 H 1 1.428 0.020 . 2 . . . . 55 LYS HD2 . 16164 1 184 . 1 1 17 17 LYS HD3 H 1 1.428 0.020 . 2 . . . . 55 LYS HD3 . 16164 1 185 . 1 1 17 17 LYS HG2 H 1 0.623 0.020 . 2 . . . . 55 LYS HG2 . 16164 1 186 . 1 1 17 17 LYS HG3 H 1 0.623 0.020 . 2 . . . . 55 LYS HG3 . 16164 1 187 . 1 1 17 17 LYS C C 13 176.651 0.400 . 1 . . . . 55 LYS C . 16164 1 188 . 1 1 17 17 LYS CA C 13 57.124 0.400 . 1 . . . . 55 LYS CA . 16164 1 189 . 1 1 17 17 LYS CB C 13 30.251 0.400 . 1 . . . . 55 LYS CB . 16164 1 190 . 1 1 17 17 LYS N N 15 118.505 0.400 . 1 . . . . 55 LYS N . 16164 1 191 . 1 1 18 18 ALA H H 1 7.680 0.020 . 1 . . . . 56 ALA H . 16164 1 192 . 1 1 18 18 ALA HA H 1 4.029 0.020 . 1 . . . . 56 ALA HA . 16164 1 193 . 1 1 18 18 ALA HB1 H 1 1.369 0.020 . 1 . . . . 56 ALA HB . 16164 1 194 . 1 1 18 18 ALA HB2 H 1 1.369 0.020 . 1 . . . . 56 ALA HB . 16164 1 195 . 1 1 18 18 ALA HB3 H 1 1.369 0.020 . 1 . . . . 56 ALA HB . 16164 1 196 . 1 1 18 18 ALA C C 13 176.638 0.400 . 1 . . . . 56 ALA C . 16164 1 197 . 1 1 18 18 ALA CA C 13 52.749 0.400 . 1 . . . . 56 ALA CA . 16164 1 198 . 1 1 18 18 ALA CB C 13 15.877 0.400 . 1 . . . . 56 ALA CB . 16164 1 199 . 1 1 18 18 ALA N N 15 122.477 0.400 . 1 . . . . 56 ALA N . 16164 1 200 . 1 1 19 19 ILE H H 1 8.853 0.020 . 1 . . . . 57 ILE H . 16164 1 201 . 1 1 19 19 ILE HA H 1 3.304 0.020 . 1 . . . . 57 ILE HA . 16164 1 202 . 1 1 19 19 ILE HB H 1 1.374 0.020 . 1 . . . . 57 ILE HB . 16164 1 203 . 1 1 19 19 ILE HD11 H 1 0.032 0.020 . 1 . . . . 57 ILE HD1 . 16164 1 204 . 1 1 19 19 ILE HD12 H 1 0.032 0.020 . 1 . . . . 57 ILE HD1 . 16164 1 205 . 1 1 19 19 ILE HD13 H 1 0.032 0.020 . 1 . . . . 57 ILE HD1 . 16164 1 206 . 1 1 19 19 ILE HG12 H 1 1.628 0.020 . 2 . . . . 57 ILE HG12 . 16164 1 207 . 1 1 19 19 ILE HG13 H 1 1.628 0.020 . 2 . . . . 57 ILE HG13 . 16164 1 208 . 1 1 19 19 ILE HG21 H 1 0.453 0.020 . 1 . . . . 57 ILE HG2 . 16164 1 209 . 1 1 19 19 ILE HG22 H 1 0.453 0.020 . 1 . . . . 57 ILE HG2 . 16164 1 210 . 1 1 19 19 ILE HG23 H 1 0.453 0.020 . 1 . . . . 57 ILE HG2 . 16164 1 211 . 1 1 19 19 ILE C C 13 174.710 0.400 . 1 . . . . 57 ILE C . 16164 1 212 . 1 1 19 19 ILE CA C 13 63.373 0.400 . 1 . . . . 57 ILE CA . 16164 1 213 . 1 1 19 19 ILE CB C 13 35.250 0.400 . 1 . . . . 57 ILE CB . 16164 1 214 . 1 1 19 19 ILE CD1 C 13 10.877 0.400 . 1 . . . . 57 ILE CD1 . 16164 1 215 . 1 1 19 19 ILE CG1 C 13 25.876 0.400 . 1 . . . . 57 ILE CG1 . 16164 1 216 . 1 1 19 19 ILE CG2 C 13 17.126 0.400 . 1 . . . . 57 ILE CG2 . 16164 1 217 . 1 1 19 19 ILE N N 15 120.901 0.400 . 1 . . . . 57 ILE N . 16164 1 218 . 1 1 20 20 ALA H H 1 8.702 0.020 . 1 . . . . 58 ALA H . 16164 1 219 . 1 1 20 20 ALA HA H 1 3.900 0.020 . 1 . . . . 58 ALA HA . 16164 1 220 . 1 1 20 20 ALA HB1 H 1 1.525 0.020 . 1 . . . . 58 ALA HB . 16164 1 221 . 1 1 20 20 ALA HB2 H 1 1.525 0.020 . 1 . . . . 58 ALA HB . 16164 1 222 . 1 1 20 20 ALA HB3 H 1 1.525 0.020 . 1 . . . . 58 ALA HB . 16164 1 223 . 1 1 20 20 ALA C C 13 176.512 0.400 . 1 . . . . 58 ALA C . 16164 1 224 . 1 1 20 20 ALA CA C 13 52.749 0.400 . 1 . . . . 58 ALA CA . 16164 1 225 . 1 1 20 20 ALA CB C 13 15.252 0.400 . 1 . . . . 58 ALA CB . 16164 1 226 . 1 1 20 20 ALA N N 15 121.763 0.400 . 1 . . . . 58 ALA N . 16164 1 227 . 1 1 21 21 ALA H H 1 7.662 0.020 . 1 . . . . 59 ALA H . 16164 1 228 . 1 1 21 21 ALA HA H 1 4.136 0.020 . 1 . . . . 59 ALA HA . 16164 1 229 . 1 1 21 21 ALA HB1 H 1 1.407 0.020 . 1 . . . . 59 ALA HB . 16164 1 230 . 1 1 21 21 ALA HB2 H 1 1.407 0.020 . 1 . . . . 59 ALA HB . 16164 1 231 . 1 1 21 21 ALA HB3 H 1 1.407 0.020 . 1 . . . . 59 ALA HB . 16164 1 232 . 1 1 21 21 ALA C C 13 177.949 0.400 . 1 . . . . 59 ALA C . 16164 1 233 . 1 1 21 21 ALA CA C 13 52.749 0.400 . 1 . . . . 59 ALA CA . 16164 1 234 . 1 1 21 21 ALA CB C 13 15.252 0.400 . 1 . . . . 59 ALA CB . 16164 1 235 . 1 1 21 21 ALA N N 15 119.079 0.400 . 1 . . . . 59 ALA N . 16164 1 236 . 1 1 22 22 ALA H H 1 7.403 0.020 . 1 . . . . 60 ALA H . 16164 1 237 . 1 1 22 22 ALA HA H 1 4.318 0.020 . 1 . . . . 60 ALA HA . 16164 1 238 . 1 1 22 22 ALA HB1 H 1 1.393 0.020 . 1 . . . . 60 ALA HB . 16164 1 239 . 1 1 22 22 ALA HB2 H 1 1.393 0.020 . 1 . . . . 60 ALA HB . 16164 1 240 . 1 1 22 22 ALA HB3 H 1 1.393 0.020 . 1 . . . . 60 ALA HB . 16164 1 241 . 1 1 22 22 ALA C C 13 176.730 0.400 . 1 . . . . 60 ALA C . 16164 1 242 . 1 1 22 22 ALA CA C 13 52.749 0.400 . 1 . . . . 60 ALA CA . 16164 1 243 . 1 1 22 22 ALA CB C 13 17.126 0.400 . 1 . . . . 60 ALA CB . 16164 1 244 . 1 1 22 22 ALA N N 15 122.616 0.400 . 1 . . . . 60 ALA N . 16164 1 245 . 1 1 23 23 LEU H H 1 8.410 0.020 . 1 . . . . 61 LEU H . 16164 1 246 . 1 1 23 23 LEU HA H 1 3.527 0.020 . 1 . . . . 61 LEU HA . 16164 1 247 . 1 1 23 23 LEU HB2 H 1 1.812 0.020 . 2 . . . . 61 LEU HB2 . 16164 1 248 . 1 1 23 23 LEU HB3 H 1 1.812 0.020 . 2 . . . . 61 LEU HB3 . 16164 1 249 . 1 1 23 23 LEU HD11 H 1 -0.308 0.020 . 2 . . . . 61 LEU HD1 . 16164 1 250 . 1 1 23 23 LEU HD12 H 1 -0.308 0.020 . 2 . . . . 61 LEU HD1 . 16164 1 251 . 1 1 23 23 LEU HD13 H 1 -0.308 0.020 . 2 . . . . 61 LEU HD1 . 16164 1 252 . 1 1 23 23 LEU HD21 H 1 0.000 0.020 . 2 . . . . 61 LEU HD2 . 16164 1 253 . 1 1 23 23 LEU HD22 H 1 0.000 0.020 . 2 . . . . 61 LEU HD2 . 16164 1 254 . 1 1 23 23 LEU HD23 H 1 0.000 0.020 . 2 . . . . 61 LEU HD2 . 16164 1 255 . 1 1 23 23 LEU HG H 1 1.140 0.020 . 1 . . . . 61 LEU HG . 16164 1 256 . 1 1 23 23 LEU C C 13 176.057 0.400 . 1 . . . . 61 LEU C . 16164 1 257 . 1 1 23 23 LEU CA C 13 55.249 0.400 . 1 . . . . 61 LEU CA . 16164 1 258 . 1 1 23 23 LEU CB C 13 39.000 0.400 . 1 . . . . 61 LEU CB . 16164 1 259 . 1 1 23 23 LEU CD1 C 13 23.376 0.400 . 1 . . . . 61 LEU CD1 . 16164 1 260 . 1 1 23 23 LEU CD2 C 13 21.501 0.400 . 1 . . . . 61 LEU CD2 . 16164 1 261 . 1 1 23 23 LEU CG C 13 24.001 0.400 . 1 . . . . 61 LEU CG . 16164 1 262 . 1 1 23 23 LEU N N 15 120.761 0.400 . 1 . . . . 61 LEU N . 16164 1 263 . 1 1 24 24 ASP H H 1 8.227 0.020 . 1 . . . . 62 ASP H . 16164 1 264 . 1 1 24 24 ASP HA H 1 4.581 0.020 . 1 . . . . 62 ASP HA . 16164 1 265 . 1 1 24 24 ASP HB2 H 1 2.779 0.020 . 2 . . . . 62 ASP HB2 . 16164 1 266 . 1 1 24 24 ASP HB3 H 1 2.779 0.020 . 2 . . . . 62 ASP HB3 . 16164 1 267 . 1 1 24 24 ASP C C 13 176.968 0.400 . 1 . . . . 62 ASP C . 16164 1 268 . 1 1 24 24 ASP CA C 13 55.874 0.400 . 1 . . . . 62 ASP CA . 16164 1 269 . 1 1 24 24 ASP CB C 13 37.750 0.400 . 1 . . . . 62 ASP CB . 16164 1 270 . 1 1 24 24 ASP N N 15 119.068 0.400 . 1 . . . . 62 ASP N . 16164 1 271 . 1 1 25 25 MET H H 1 7.718 0.020 . 1 . . . . 63 MET H . 16164 1 272 . 1 1 25 25 MET HA H 1 4.196 0.020 . 1 . . . . 63 MET HA . 16164 1 273 . 1 1 25 25 MET HB2 H 1 2.400 0.020 . 2 . . . . 63 MET HB2 . 16164 1 274 . 1 1 25 25 MET HB3 H 1 2.173 0.020 . 2 . . . . 63 MET HB3 . 16164 1 275 . 1 1 25 25 MET HG2 H 1 1.661 0.020 . 2 . . . . 63 MET HG2 . 16164 1 276 . 1 1 25 25 MET HG3 H 1 1.661 0.020 . 2 . . . . 63 MET HG3 . 16164 1 277 . 1 1 25 25 MET C C 13 174.968 0.400 . 1 . . . . 63 MET C . 16164 1 278 . 1 1 25 25 MET CA C 13 55.249 0.400 . 1 . . . . 63 MET CA . 16164 1 279 . 1 1 25 25 MET CB C 13 29.626 0.400 . 1 . . . . 63 MET CB . 16164 1 280 . 1 1 25 25 MET CG C 13 37.750 0.400 . 1 . . . . 63 MET CG . 16164 1 281 . 1 1 25 25 MET N N 15 121.365 0.400 . 1 . . . . 63 MET N . 16164 1 282 . 1 1 26 26 TYR H H 1 8.401 0.020 . 1 . . . . 64 TYR H . 16164 1 283 . 1 1 26 26 TYR HA H 1 4.400 0.020 . 1 . . . . 64 TYR HA . 16164 1 284 . 1 1 26 26 TYR HB2 H 1 1.682 0.020 . 2 . . . . 64 TYR HB2 . 16164 1 285 . 1 1 26 26 TYR HB3 H 1 1.682 0.020 . 2 . . . . 64 TYR HB3 . 16164 1 286 . 1 1 26 26 TYR HD1 H 1 6.590 0.020 . 1 . . . . 64 TYR HD1 . 16164 1 287 . 1 1 26 26 TYR HD2 H 1 6.590 0.020 . 1 . . . . 64 TYR HD2 . 16164 1 288 . 1 1 26 26 TYR HE1 H 1 6.832 0.020 . 1 . . . . 64 TYR HE1 . 16164 1 289 . 1 1 26 26 TYR HE2 H 1 6.832 0.020 . 1 . . . . 64 TYR HE2 . 16164 1 290 . 1 1 26 26 TYR HH H 1 9.625 0.020 . 1 . . . . 64 TYR HH . 16164 1 291 . 1 1 26 26 TYR C C 13 176.098 0.400 . 1 . . . . 64 TYR C . 16164 1 292 . 1 1 26 26 TYR CA C 13 58.999 0.400 . 1 . . . . 64 TYR CA . 16164 1 293 . 1 1 26 26 TYR CB C 13 35.250 0.400 . 1 . . . . 64 TYR CB . 16164 1 294 . 1 1 26 26 TYR N N 15 122.575 0.400 . 1 . . . . 64 TYR N . 16164 1 295 . 1 1 27 27 LYS H H 1 8.330 0.020 . 1 . . . . 65 LYS H . 16164 1 296 . 1 1 27 27 LYS HA H 1 3.568 0.020 . 1 . . . . 65 LYS HA . 16164 1 297 . 1 1 27 27 LYS HB2 H 1 1.490 0.020 . 2 . . . . 65 LYS HB2 . 16164 1 298 . 1 1 27 27 LYS HD2 H 1 0.820 0.020 . 2 . . . . 65 LYS HD2 . 16164 1 299 . 1 1 27 27 LYS HD3 H 1 0.820 0.020 . 2 . . . . 65 LYS HD3 . 16164 1 300 . 1 1 27 27 LYS HG2 H 1 0.369 0.020 . 2 . . . . 65 LYS HG2 . 16164 1 301 . 1 1 27 27 LYS HG3 H 1 0.369 0.020 . 2 . . . . 65 LYS HG3 . 16164 1 302 . 1 1 27 27 LYS C C 13 176.156 0.400 . 1 . . . . 65 LYS C . 16164 1 303 . 1 1 27 27 LYS CA C 13 56.499 0.400 . 1 . . . . 65 LYS CA . 16164 1 304 . 1 1 27 27 LYS CB C 13 29.626 0.400 . 1 . . . . 65 LYS CB . 16164 1 305 . 1 1 27 27 LYS CG C 13 22.126 0.400 . 1 . . . . 65 LYS CG . 16164 1 306 . 1 1 27 27 LYS N N 15 121.390 0.400 . 1 . . . . 65 LYS N . 16164 1 307 . 1 1 28 28 LEU H H 1 7.833 0.020 . 1 . . . . 66 LEU H . 16164 1 308 . 1 1 28 28 LEU HA H 1 3.769 0.020 . 1 . . . . 66 LEU HA . 16164 1 309 . 1 1 28 28 LEU HB2 H 1 1.638 0.020 . 2 . . . . 66 LEU HB2 . 16164 1 310 . 1 1 28 28 LEU HB3 H 1 1.638 0.020 . 2 . . . . 66 LEU HB3 . 16164 1 311 . 1 1 28 28 LEU HD11 H 1 0.743 0.020 . 2 . . . . 66 LEU HD1 . 16164 1 312 . 1 1 28 28 LEU HD12 H 1 0.743 0.020 . 2 . . . . 66 LEU HD1 . 16164 1 313 . 1 1 28 28 LEU HD13 H 1 0.743 0.020 . 2 . . . . 66 LEU HD1 . 16164 1 314 . 1 1 28 28 LEU HD21 H 1 0.743 0.020 . 2 . . . . 66 LEU HD2 . 16164 1 315 . 1 1 28 28 LEU HD22 H 1 0.743 0.020 . 2 . . . . 66 LEU HD2 . 16164 1 316 . 1 1 28 28 LEU HD23 H 1 0.743 0.020 . 2 . . . . 66 LEU HD2 . 16164 1 317 . 1 1 28 28 LEU HG H 1 1.532 0.020 . 1 . . . . 66 LEU HG . 16164 1 318 . 1 1 28 28 LEU C C 13 175.925 0.400 . 1 . . . . 66 LEU C . 16164 1 319 . 1 1 28 28 LEU CA C 13 55.874 0.400 . 1 . . . . 66 LEU CA . 16164 1 320 . 1 1 28 28 LEU CB C 13 38.375 0.400 . 1 . . . . 66 LEU CB . 16164 1 321 . 1 1 28 28 LEU CD1 C 13 20.876 0.400 . 1 . . . . 66 LEU CD1 . 16164 1 322 . 1 1 28 28 LEU CD2 C 13 20.876 0.400 . 1 . . . . 66 LEU CD2 . 16164 1 323 . 1 1 28 28 LEU CG C 13 24.001 0.400 . 1 . . . . 66 LEU CG . 16164 1 324 . 1 1 28 28 LEU N N 15 123.068 0.400 . 1 . . . . 66 LEU N . 16164 1 325 . 1 1 29 29 ASP H H 1 7.292 0.020 . 1 . . . . 67 ASP H . 16164 1 326 . 1 1 29 29 ASP HA H 1 4.096 0.020 . 1 . . . . 67 ASP HA . 16164 1 327 . 1 1 29 29 ASP HB2 H 1 2.578 0.020 . 2 . . . . 67 ASP HB2 . 16164 1 328 . 1 1 29 29 ASP HB3 H 1 2.348 0.020 . 2 . . . . 67 ASP HB3 . 16164 1 329 . 1 1 29 29 ASP C C 13 174.618 0.400 . 1 . . . . 67 ASP C . 16164 1 330 . 1 1 29 29 ASP CA C 13 53.999 0.400 . 1 . . . . 67 ASP CA . 16164 1 331 . 1 1 29 29 ASP CB C 13 38.375 0.400 . 1 . . . . 67 ASP CB . 16164 1 332 . 1 1 29 29 ASP N N 15 114.729 0.400 . 1 . . . . 67 ASP N . 16164 1 333 . 1 1 30 30 ASN H H 1 8.097 0.020 . 1 . . . . 68 ASN H . 16164 1 334 . 1 1 30 30 ASN HA H 1 4.337 0.020 . 1 . . . . 68 ASN HA . 16164 1 335 . 1 1 30 30 ASN HB2 H 1 2.274 0.020 . 2 . . . . 68 ASN HB2 . 16164 1 336 . 1 1 30 30 ASN HB3 H 1 2.274 0.020 . 2 . . . . 68 ASN HB3 . 16164 1 337 . 1 1 30 30 ASN HD21 H 1 7.361 0.020 . 2 . . . . 68 ASN HD21 . 16164 1 338 . 1 1 30 30 ASN HD22 H 1 6.821 0.020 . 2 . . . . 68 ASN HD22 . 16164 1 339 . 1 1 30 30 ASN C C 13 172.822 0.400 . 1 . . . . 68 ASN C . 16164 1 340 . 1 1 30 30 ASN CA C 13 52.124 0.400 . 1 . . . . 68 ASN CA . 16164 1 341 . 1 1 30 30 ASN CB C 13 37.750 0.400 . 1 . . . . 68 ASN CB . 16164 1 342 . 1 1 30 30 ASN N N 15 111.054 0.400 . 1 . . . . 68 ASN N . 16164 1 343 . 1 1 30 30 ASN ND2 N 15 112.192 0.400 . 1 . . . . 68 ASN ND2 . 16164 1 344 . 1 1 31 31 PHE H H 1 8.249 0.020 . 1 . . . . 69 PHE H . 16164 1 345 . 1 1 31 31 PHE HA H 1 4.135 0.020 . 1 . . . . 69 PHE HA . 16164 1 346 . 1 1 31 31 PHE HB2 H 1 3.267 0.020 . 2 . . . . 69 PHE HB2 . 16164 1 347 . 1 1 31 31 PHE HB3 H 1 3.267 0.020 . 2 . . . . 69 PHE HB3 . 16164 1 348 . 1 1 31 31 PHE HD1 H 1 7.002 0.020 . 1 . . . . 69 PHE HD1 . 16164 1 349 . 1 1 31 31 PHE HD2 H 1 7.002 0.020 . 1 . . . . 69 PHE HD2 . 16164 1 350 . 1 1 31 31 PHE HE1 H 1 7.162 0.020 . 1 . . . . 69 PHE HE1 . 16164 1 351 . 1 1 31 31 PHE HE2 H 1 7.162 0.020 . 1 . . . . 69 PHE HE2 . 16164 1 352 . 1 1 31 31 PHE HZ H 1 7.108 0.020 . 1 . . . . 69 PHE HZ . 16164 1 353 . 1 1 31 31 PHE C C 13 170.485 0.400 . 1 . . . . 69 PHE C . 16164 1 354 . 1 1 31 31 PHE CA C 13 57.749 0.400 . 1 . . . . 69 PHE CA . 16164 1 355 . 1 1 31 31 PHE CB C 13 33.375 0.400 . 1 . . . . 69 PHE CB . 16164 1 356 . 1 1 31 31 PHE N N 15 116.277 0.400 . 1 . . . . 69 PHE N . 16164 1 357 . 1 1 32 32 ALA H H 1 7.224 0.020 . 1 . . . . 70 ALA H . 16164 1 358 . 1 1 32 32 ALA HA H 1 4.194 0.020 . 1 . . . . 70 ALA HA . 16164 1 359 . 1 1 32 32 ALA HB1 H 1 1.266 0.020 . 1 . . . . 70 ALA HB . 16164 1 360 . 1 1 32 32 ALA HB2 H 1 1.266 0.020 . 1 . . . . 70 ALA HB . 16164 1 361 . 1 1 32 32 ALA HB3 H 1 1.266 0.020 . 1 . . . . 70 ALA HB . 16164 1 362 . 1 1 32 32 ALA C C 13 173.337 0.400 . 1 . . . . 70 ALA C . 16164 1 363 . 1 1 32 32 ALA CA C 13 48.374 0.400 . 1 . . . . 70 ALA CA . 16164 1 364 . 1 1 32 32 ALA CB C 13 19.626 0.400 . 1 . . . . 70 ALA CB . 16164 1 365 . 1 1 32 32 ALA N N 15 119.914 0.400 . 1 . . . . 70 ALA N . 16164 1 366 . 1 1 33 33 TYR H H 1 7.948 0.020 . 1 . . . . 71 TYR H . 16164 1 367 . 1 1 33 33 TYR HA H 1 4.209 0.020 . 1 . . . . 71 TYR HA . 16164 1 368 . 1 1 33 33 TYR HB2 H 1 3.158 0.020 . 2 . . . . 71 TYR HB2 . 16164 1 369 . 1 1 33 33 TYR HB3 H 1 2.158 0.020 . 2 . . . . 71 TYR HB3 . 16164 1 370 . 1 1 33 33 TYR HD1 H 1 6.908 0.020 . 1 . . . . 71 TYR HD1 . 16164 1 371 . 1 1 33 33 TYR HD2 H 1 6.908 0.020 . 1 . . . . 71 TYR HD2 . 16164 1 372 . 1 1 33 33 TYR HE1 H 1 6.705 0.020 . 1 . . . . 71 TYR HE1 . 16164 1 373 . 1 1 33 33 TYR HE2 H 1 6.705 0.020 . 1 . . . . 71 TYR HE2 . 16164 1 374 . 1 1 33 33 TYR C C 13 170.591 0.400 . 1 . . . . 71 TYR C . 16164 1 375 . 1 1 33 33 TYR CA C 13 54.624 0.400 . 1 . . . . 71 TYR CA . 16164 1 376 . 1 1 33 33 TYR CB C 13 34.000 0.400 . 1 . . . . 71 TYR CB . 16164 1 377 . 1 1 33 33 TYR N N 15 116.929 0.400 . 1 . . . . 71 TYR N . 16164 1 378 . 1 1 34 34 PRO HA H 1 4.444 0.020 . 1 . . . . 72 PRO HA . 16164 1 379 . 1 1 34 34 PRO HB2 H 1 1.658 0.020 . 2 . . . . 72 PRO HB2 . 16164 1 380 . 1 1 34 34 PRO HB3 H 1 1.380 0.020 . 2 . . . . 72 PRO HB3 . 16164 1 381 . 1 1 34 34 PRO C C 13 174.775 0.400 . 1 . . . . 72 PRO C . 16164 1 382 . 1 1 34 34 PRO CA C 13 59.624 0.400 . 1 . . . . 72 PRO CA . 16164 1 383 . 1 1 34 34 PRO CB C 13 28.376 0.400 . 1 . . . . 72 PRO CB . 16164 1 384 . 1 1 35 35 SER H H 1 8.721 0.020 . 1 . . . . 73 SER H . 16164 1 385 . 1 1 35 35 SER HA H 1 4.467 0.020 . 1 . . . . 73 SER HA . 16164 1 386 . 1 1 35 35 SER HB2 H 1 3.953 0.020 . 2 . . . . 73 SER HB2 . 16164 1 387 . 1 1 35 35 SER HB3 H 1 3.953 0.020 . 2 . . . . 73 SER HB3 . 16164 1 388 . 1 1 35 35 SER C C 13 173.271 0.400 . 1 . . . . 73 SER C . 16164 1 389 . 1 1 35 35 SER CA C 13 55.249 0.400 . 1 . . . . 73 SER CA . 16164 1 390 . 1 1 35 35 SER CB C 13 63.373 0.400 . 1 . . . . 73 SER CB . 16164 1 391 . 1 1 35 35 SER N N 15 118.284 0.400 . 1 . . . . 73 SER N . 16164 1 392 . 1 1 36 36 THR H H 1 8.591 0.020 . 1 . . . . 74 THR H . 16164 1 393 . 1 1 36 36 THR HA H 1 3.649 0.020 . 1 . . . . 74 THR HA . 16164 1 394 . 1 1 36 36 THR HB H 1 4.028 0.020 . 1 . . . . 74 THR HB . 16164 1 395 . 1 1 36 36 THR HG21 H 1 1.259 0.020 . 1 . . . . 74 THR HG2 . 16164 1 396 . 1 1 36 36 THR HG22 H 1 1.259 0.020 . 1 . . . . 74 THR HG2 . 16164 1 397 . 1 1 36 36 THR HG23 H 1 1.259 0.020 . 1 . . . . 74 THR HG2 . 16164 1 398 . 1 1 36 36 THR CA C 13 64.623 0.400 . 1 . . . . 74 THR CA . 16164 1 399 . 1 1 36 36 THR CB C 13 66.498 0.400 . 1 . . . . 74 THR CB . 16164 1 400 . 1 1 36 36 THR CG2 C 13 20.251 0.400 . 1 . . . . 74 THR CG2 . 16164 1 401 . 1 1 36 36 THR N N 15 117.769 0.400 . 1 . . . . 74 THR N . 16164 1 402 . 1 1 37 37 GLN H H 1 8.210 0.020 . 1 . . . . 75 GLN H . 16164 1 403 . 1 1 37 37 GLN HA H 1 3.860 0.020 . 1 . . . . 75 GLN HA . 16164 1 404 . 1 1 37 37 GLN HB2 H 1 1.930 0.020 . 2 . . . . 75 GLN HB2 . 16164 1 405 . 1 1 37 37 GLN HB3 H 1 1.811 0.020 . 2 . . . . 75 GLN HB3 . 16164 1 406 . 1 1 37 37 GLN HE21 H 1 6.802 0.020 . 2 . . . . 75 GLN HE21 . 16164 1 407 . 1 1 37 37 GLN HE22 H 1 7.484 0.020 . 2 . . . . 75 GLN HE22 . 16164 1 408 . 1 1 37 37 GLN HG2 H 1 2.281 0.020 . 2 . . . . 75 GLN HG2 . 16164 1 409 . 1 1 37 37 GLN HG3 H 1 2.281 0.020 . 2 . . . . 75 GLN HG3 . 16164 1 410 . 1 1 37 37 GLN C C 13 175.349 0.400 . 1 . . . . 75 GLN C . 16164 1 411 . 1 1 37 37 GLN CA C 13 56.499 0.400 . 1 . . . . 75 GLN CA . 16164 1 412 . 1 1 37 37 GLN CB C 13 25.876 0.400 . 1 . . . . 75 GLN CB . 16164 1 413 . 1 1 37 37 GLN CG C 13 32.125 0.400 . 1 . . . . 75 GLN CG . 16164 1 414 . 1 1 37 37 GLN N N 15 117.931 0.400 . 1 . . . . 75 GLN N . 16164 1 415 . 1 1 37 37 GLN NE2 N 15 112.231 0.400 . 1 . . . . 75 GLN NE2 . 16164 1 416 . 1 1 38 38 GLN H H 1 7.667 0.020 . 1 . . . . 76 GLN H . 16164 1 417 . 1 1 38 38 GLN HA H 1 3.810 0.020 . 1 . . . . 76 GLN HA . 16164 1 418 . 1 1 38 38 GLN HB2 H 1 2.310 0.020 . 2 . . . . 76 GLN HB2 . 16164 1 419 . 1 1 38 38 GLN HB3 H 1 1.581 0.020 . 2 . . . . 76 GLN HB3 . 16164 1 420 . 1 1 38 38 GLN HE21 H 1 6.819 0.020 . 2 . . . . 76 GLN HE21 . 16164 1 421 . 1 1 38 38 GLN HE22 H 1 7.361 0.020 . 2 . . . . 76 GLN HE22 . 16164 1 422 . 1 1 38 38 GLN HG2 H 1 1.951 0.020 . 2 . . . . 76 GLN HG2 . 16164 1 423 . 1 1 38 38 GLN HG3 H 1 1.788 0.020 . 2 . . . . 76 GLN HG3 . 16164 1 424 . 1 1 38 38 GLN C C 13 175.805 0.400 . 1 . . . . 76 GLN C . 16164 1 425 . 1 1 38 38 GLN CA C 13 55.874 0.400 . 1 . . . . 76 GLN CA . 16164 1 426 . 1 1 38 38 GLN CB C 13 25.876 0.400 . 1 . . . . 76 GLN CB . 16164 1 427 . 1 1 38 38 GLN CG C 13 31.501 0.400 . 1 . . . . 76 GLN CG . 16164 1 428 . 1 1 38 38 GLN N N 15 120.607 0.400 . 1 . . . . 76 GLN N . 16164 1 429 . 1 1 38 38 GLN NE2 N 15 111.546 0.400 . 1 . . . . 76 GLN NE2 . 16164 1 430 . 1 1 39 39 GLY H H 1 8.470 0.020 . 1 . . . . 77 GLY H . 16164 1 431 . 1 1 39 39 GLY HA2 H 1 3.920 0.020 . 2 . . . . 77 GLY HA2 . 16164 1 432 . 1 1 39 39 GLY HA3 H 1 3.603 0.020 . 2 . . . . 77 GLY HA3 . 16164 1 433 . 1 1 39 39 GLY C C 13 169.006 0.400 . 1 . . . . 77 GLY C . 16164 1 434 . 1 1 39 39 GLY CA C 13 42.125 0.400 . 1 . . . . 77 GLY CA . 16164 1 435 . 1 1 39 39 GLY N N 15 103.281 0.400 . 1 . . . . 77 GLY N . 16164 1 436 . 1 1 40 40 LEU H H 1 8.135 0.020 . 1 . . . . 78 LEU H . 16164 1 437 . 1 1 40 40 LEU HA H 1 3.237 0.020 . 1 . . . . 78 LEU HA . 16164 1 438 . 1 1 40 40 LEU HB2 H 1 1.487 0.020 . 2 . . . . 78 LEU HB2 . 16164 1 439 . 1 1 40 40 LEU HB3 H 1 1.017 0.020 . 2 . . . . 78 LEU HB3 . 16164 1 440 . 1 1 40 40 LEU HD11 H 1 0.616 0.020 . 2 . . . . 78 LEU HD1 . 16164 1 441 . 1 1 40 40 LEU HD12 H 1 0.616 0.020 . 2 . . . . 78 LEU HD1 . 16164 1 442 . 1 1 40 40 LEU HD13 H 1 0.616 0.020 . 2 . . . . 78 LEU HD1 . 16164 1 443 . 1 1 40 40 LEU HD21 H 1 -0.161 0.020 . 2 . . . . 78 LEU HD2 . 16164 1 444 . 1 1 40 40 LEU HD22 H 1 -0.161 0.020 . 2 . . . . 78 LEU HD2 . 16164 1 445 . 1 1 40 40 LEU HD23 H 1 -0.161 0.020 . 2 . . . . 78 LEU HD2 . 16164 1 446 . 1 1 40 40 LEU HG H 1 1.269 0.020 . 1 . . . . 78 LEU HG . 16164 1 447 . 1 1 40 40 LEU C C 13 176.383 0.400 . 1 . . . . 78 LEU C . 16164 1 448 . 1 1 40 40 LEU CA C 13 52.749 0.400 . 1 . . . . 78 LEU CA . 16164 1 449 . 1 1 40 40 LEU CB C 13 39.000 0.400 . 1 . . . . 78 LEU CB . 16164 1 450 . 1 1 40 40 LEU CD1 C 13 22.751 0.400 . 1 . . . . 78 LEU CD1 . 16164 1 451 . 1 1 40 40 LEU CD2 C 13 19.626 0.400 . 1 . . . . 78 LEU CD2 . 16164 1 452 . 1 1 40 40 LEU CG C 13 23.376 0.400 . 1 . . . . 78 LEU CG . 16164 1 453 . 1 1 40 40 LEU N N 15 114.444 0.400 . 1 . . . . 78 LEU N . 16164 1 454 . 1 1 41 41 GLU H H 1 8.578 0.020 . 1 . . . . 79 GLU H . 16164 1 455 . 1 1 41 41 GLU HA H 1 3.720 0.020 . 1 . . . . 79 GLU HA . 16164 1 456 . 1 1 41 41 GLU HB2 H 1 1.884 0.020 . 2 . . . . 79 GLU HB2 . 16164 1 457 . 1 1 41 41 GLU HB3 H 1 1.884 0.020 . 2 . . . . 79 GLU HB3 . 16164 1 458 . 1 1 41 41 GLU HG2 H 1 2.296 0.020 . 2 . . . . 79 GLU HG2 . 16164 1 459 . 1 1 41 41 GLU HG3 H 1 2.296 0.020 . 2 . . . . 79 GLU HG3 . 16164 1 460 . 1 1 41 41 GLU C C 13 175.093 0.400 . 1 . . . . 79 GLU C . 16164 1 461 . 1 1 41 41 GLU CA C 13 57.124 0.400 . 1 . . . . 79 GLU CA . 16164 1 462 . 1 1 41 41 GLU CB C 13 26.501 0.400 . 1 . . . . 79 GLU CB . 16164 1 463 . 1 1 41 41 GLU CG C 13 33.375 0.400 . 1 . . . . 79 GLU CG . 16164 1 464 . 1 1 41 41 GLU N N 15 118.295 0.400 . 1 . . . . 79 GLU N . 16164 1 465 . 1 1 42 42 ALA H H 1 7.227 0.020 . 1 . . . . 80 ALA H . 16164 1 466 . 1 1 42 42 ALA HA H 1 4.437 0.020 . 1 . . . . 80 ALA HA . 16164 1 467 . 1 1 42 42 ALA HB1 H 1 1.177 0.020 . 1 . . . . 80 ALA HB . 16164 1 468 . 1 1 42 42 ALA HB2 H 1 1.177 0.020 . 1 . . . . 80 ALA HB . 16164 1 469 . 1 1 42 42 ALA HB3 H 1 1.177 0.020 . 1 . . . . 80 ALA HB . 16164 1 470 . 1 1 42 42 ALA C C 13 173.745 0.400 . 1 . . . . 80 ALA C . 16164 1 471 . 1 1 42 42 ALA CA C 13 51.499 0.400 . 1 . . . . 80 ALA CA . 16164 1 472 . 1 1 42 42 ALA CB C 13 15.877 0.400 . 1 . . . . 80 ALA CB . 16164 1 473 . 1 1 42 42 ALA N N 15 119.751 0.400 . 1 . . . . 80 ALA N . 16164 1 474 . 1 1 43 43 LEU H H 1 7.932 0.020 . 1 . . . . 81 LEU H . 16164 1 475 . 1 1 43 43 LEU HA H 1 4.369 0.020 . 1 . . . . 81 LEU HA . 16164 1 476 . 1 1 43 43 LEU HB2 H 1 1.909 0.020 . 2 . . . . 81 LEU HB2 . 16164 1 477 . 1 1 43 43 LEU HB3 H 1 1.909 0.020 . 2 . . . . 81 LEU HB3 . 16164 1 478 . 1 1 43 43 LEU HD11 H 1 0.553 0.020 . 2 . . . . 81 LEU HD1 . 16164 1 479 . 1 1 43 43 LEU HD12 H 1 0.553 0.020 . 2 . . . . 81 LEU HD1 . 16164 1 480 . 1 1 43 43 LEU HD13 H 1 0.553 0.020 . 2 . . . . 81 LEU HD1 . 16164 1 481 . 1 1 43 43 LEU HD21 H 1 0.291 0.020 . 2 . . . . 81 LEU HD2 . 16164 1 482 . 1 1 43 43 LEU HD22 H 1 0.291 0.020 . 2 . . . . 81 LEU HD2 . 16164 1 483 . 1 1 43 43 LEU HD23 H 1 0.291 0.020 . 2 . . . . 81 LEU HD2 . 16164 1 484 . 1 1 43 43 LEU HG H 1 1.369 0.020 . 1 . . . . 81 LEU HG . 16164 1 485 . 1 1 43 43 LEU C C 13 174.788 0.400 . 1 . . . . 81 LEU C . 16164 1 486 . 1 1 43 43 LEU CA C 13 53.374 0.400 . 1 . . . . 81 LEU CA . 16164 1 487 . 1 1 43 43 LEU CB C 13 39.625 0.400 . 1 . . . . 81 LEU CB . 16164 1 488 . 1 1 43 43 LEU CD1 C 13 24.001 0.400 . 1 . . . . 81 LEU CD1 . 16164 1 489 . 1 1 43 43 LEU CD2 C 13 19.001 0.400 . 1 . . . . 81 LEU CD2 . 16164 1 490 . 1 1 43 43 LEU CG C 13 24.626 0.400 . 1 . . . . 81 LEU CG . 16164 1 491 . 1 1 43 43 LEU N N 15 111.742 0.400 . 1 . . . . 81 LEU N . 16164 1 492 . 1 1 44 44 VAL H H 1 7.886 0.020 . 1 . . . . 82 VAL H . 16164 1 493 . 1 1 44 44 VAL HA H 1 4.700 0.020 . 1 . . . . 82 VAL HA . 16164 1 494 . 1 1 44 44 VAL HB H 1 2.180 0.020 . 1 . . . . 82 VAL HB . 16164 1 495 . 1 1 44 44 VAL HG11 H 1 0.744 0.020 . 2 . . . . 82 VAL HG1 . 16164 1 496 . 1 1 44 44 VAL HG12 H 1 0.744 0.020 . 2 . . . . 82 VAL HG1 . 16164 1 497 . 1 1 44 44 VAL HG13 H 1 0.744 0.020 . 2 . . . . 82 VAL HG1 . 16164 1 498 . 1 1 44 44 VAL HG21 H 1 0.744 0.020 . 2 . . . . 82 VAL HG2 . 16164 1 499 . 1 1 44 44 VAL HG22 H 1 0.744 0.020 . 2 . . . . 82 VAL HG2 . 16164 1 500 . 1 1 44 44 VAL HG23 H 1 0.744 0.020 . 2 . . . . 82 VAL HG2 . 16164 1 501 . 1 1 44 44 VAL C C 13 172.875 0.400 . 1 . . . . 82 VAL C . 16164 1 502 . 1 1 44 44 VAL CA C 13 59.624 0.400 . 1 . . . . 82 VAL CA . 16164 1 503 . 1 1 44 44 VAL CB C 13 31.501 0.400 . 1 . . . . 82 VAL CB . 16164 1 504 . 1 1 44 44 VAL CG1 C 13 19.001 0.400 . 1 . . . . 82 VAL CG1 . 16164 1 505 . 1 1 44 44 VAL CG2 C 13 19.001 0.400 . 1 . . . . 82 VAL CG2 . 16164 1 506 . 1 1 44 44 VAL N N 15 113.604 0.400 . 1 . . . . 82 VAL N . 16164 1 507 . 1 1 45 45 LYS H H 1 8.361 0.020 . 1 . . . . 83 LYS H . 16164 1 508 . 1 1 45 45 LYS HA H 1 4.251 0.020 . 1 . . . . 83 LYS HA . 16164 1 509 . 1 1 45 45 LYS HB2 H 1 1.395 0.020 . 2 . . . . 83 LYS HB2 . 16164 1 510 . 1 1 45 45 LYS HB3 H 1 1.395 0.020 . 2 . . . . 83 LYS HB3 . 16164 1 511 . 1 1 45 45 LYS HD2 H 1 1.480 0.020 . 2 . . . . 83 LYS HD2 . 16164 1 512 . 1 1 45 45 LYS HD3 H 1 1.480 0.020 . 2 . . . . 83 LYS HD3 . 16164 1 513 . 1 1 45 45 LYS HG2 H 1 1.133 0.020 . 2 . . . . 83 LYS HG2 . 16164 1 514 . 1 1 45 45 LYS HG3 H 1 1.133 0.020 . 2 . . . . 83 LYS HG3 . 16164 1 515 . 1 1 45 45 LYS C C 13 171.053 0.400 . 1 . . . . 83 LYS C . 16164 1 516 . 1 1 45 45 LYS CA C 13 52.749 0.400 . 1 . . . . 83 LYS CA . 16164 1 517 . 1 1 45 45 LYS CB C 13 33.375 0.400 . 1 . . . . 83 LYS CB . 16164 1 518 . 1 1 45 45 LYS CD C 13 27.751 0.400 . 1 . . . . 83 LYS CD . 16164 1 519 . 1 1 45 45 LYS CE C 13 40.250 0.400 . 1 . . . . 83 LYS CE . 16164 1 520 . 1 1 45 45 LYS CG C 13 23.376 0.400 . 1 . . . . 83 LYS CG . 16164 1 521 . 1 1 45 45 LYS N N 15 123.860 0.400 . 1 . . . . 83 LYS N . 16164 1 522 . 1 1 46 46 LYS H H 1 7.243 0.020 . 1 . . . . 84 LYS H . 16164 1 523 . 1 1 46 46 LYS HA H 1 2.175 0.020 . 1 . . . . 84 LYS HA . 16164 1 524 . 1 1 46 46 LYS HB2 H 1 0.897 0.020 . 2 . . . . 84 LYS HB2 . 16164 1 525 . 1 1 46 46 LYS HB3 H 1 0.897 0.020 . 2 . . . . 84 LYS HB3 . 16164 1 526 . 1 1 46 46 LYS HD2 H 1 0.134 0.020 . 2 . . . . 84 LYS HD2 . 16164 1 527 . 1 1 46 46 LYS HD3 H 1 0.134 0.020 . 2 . . . . 84 LYS HD3 . 16164 1 528 . 1 1 46 46 LYS HE2 H 1 1.397 0.020 . 2 . . . . 84 LYS HE2 . 16164 1 529 . 1 1 46 46 LYS HE3 H 1 1.397 0.020 . 2 . . . . 84 LYS HE3 . 16164 1 530 . 1 1 46 46 LYS HG2 H 1 0.386 0.020 . 2 . . . . 84 LYS HG2 . 16164 1 531 . 1 1 46 46 LYS HG3 H 1 0.386 0.020 . 2 . . . . 84 LYS HG3 . 16164 1 532 . 1 1 46 46 LYS C C 13 172.123 0.400 . 1 . . . . 84 LYS C . 16164 1 533 . 1 1 46 46 LYS CA C 13 52.749 0.400 . 1 . . . . 84 LYS CA . 16164 1 534 . 1 1 46 46 LYS CB C 13 29.626 0.400 . 1 . . . . 84 LYS CB . 16164 1 535 . 1 1 46 46 LYS CD C 13 29.626 0.400 . 1 . . . . 84 LYS CD . 16164 1 536 . 1 1 46 46 LYS CG C 13 22.126 0.400 . 1 . . . . 84 LYS CG . 16164 1 537 . 1 1 46 46 LYS N N 15 128.615 0.400 . 1 . . . . 84 LYS N . 16164 1 538 . 1 1 47 47 PRO HA H 1 4.470 0.020 . 1 . . . . 85 PRO HA . 16164 1 539 . 1 1 47 47 PRO HB2 H 1 2.041 0.020 . 2 . . . . 85 PRO HB2 . 16164 1 540 . 1 1 47 47 PRO HB3 H 1 1.947 0.020 . 2 . . . . 85 PRO HB3 . 16164 1 541 . 1 1 47 47 PRO C C 13 173.754 0.400 . 1 . . . . 85 PRO C . 16164 1 542 . 1 1 47 47 PRO CA C 13 60.874 0.400 . 1 . . . . 85 PRO CA . 16164 1 543 . 1 1 47 47 PRO CB C 13 30.876 0.400 . 1 . . . . 85 PRO CB . 16164 1 544 . 1 1 47 47 PRO CD C 13 48.374 0.400 . 1 . . . . 85 PRO CD . 16164 1 545 . 1 1 47 47 PRO CG C 13 24.626 0.400 . 1 . . . . 85 PRO CG . 16164 1 546 . 1 1 48 48 THR H H 1 8.306 0.020 . 1 . . . . 86 THR H . 16164 1 547 . 1 1 48 48 THR HA H 1 4.287 0.020 . 1 . . . . 86 THR HA . 16164 1 548 . 1 1 48 48 THR HB H 1 4.079 0.020 . 1 . . . . 86 THR HB . 16164 1 549 . 1 1 48 48 THR HG21 H 1 0.977 0.020 . 1 . . . . 86 THR HG2 . 16164 1 550 . 1 1 48 48 THR HG22 H 1 0.977 0.020 . 1 . . . . 86 THR HG2 . 16164 1 551 . 1 1 48 48 THR HG23 H 1 0.977 0.020 . 1 . . . . 86 THR HG2 . 16164 1 552 . 1 1 48 48 THR C C 13 173.070 0.400 . 1 . . . . 86 THR C . 16164 1 553 . 1 1 48 48 THR CA C 13 57.749 0.400 . 1 . . . . 86 THR CA . 16164 1 554 . 1 1 48 48 THR CB C 13 67.748 0.400 . 1 . . . . 86 THR CB . 16164 1 555 . 1 1 48 48 THR CG2 C 13 19.001 0.400 . 1 . . . . 86 THR CG2 . 16164 1 556 . 1 1 48 48 THR N N 15 109.564 0.400 . 1 . . . . 86 THR N . 16164 1 557 . 1 1 49 49 GLY H H 1 8.317 0.020 . 1 . . . . 87 GLY H . 16164 1 558 . 1 1 49 49 GLY HA2 H 1 3.851 0.020 . 2 . . . . 87 GLY HA2 . 16164 1 559 . 1 1 49 49 GLY HA3 H 1 3.678 0.020 . 2 . . . . 87 GLY HA3 . 16164 1 560 . 1 1 49 49 GLY C C 13 169.693 0.400 . 1 . . . . 87 GLY C . 16164 1 561 . 1 1 49 49 GLY CA C 13 42.125 0.400 . 1 . . . . 87 GLY CA . 16164 1 562 . 1 1 49 49 GLY N N 15 109.071 0.400 . 1 . . . . 87 GLY N . 16164 1 563 . 1 1 50 50 ASN H H 1 8.301 0.020 . 1 . . . . 88 ASN H . 16164 1 564 . 1 1 50 50 ASN HA H 1 4.780 0.020 . 1 . . . . 88 ASN HA . 16164 1 565 . 1 1 50 50 ASN HB2 H 1 2.584 0.020 . 2 . . . . 88 ASN HB2 . 16164 1 566 . 1 1 50 50 ASN HB3 H 1 2.458 0.020 . 2 . . . . 88 ASN HB3 . 16164 1 567 . 1 1 50 50 ASN HD21 H 1 7.568 0.020 . 2 . . . . 88 ASN HD21 . 16164 1 568 . 1 1 50 50 ASN HD22 H 1 6.925 0.020 . 2 . . . . 88 ASN HD22 . 16164 1 569 . 1 1 50 50 ASN C C 13 171.370 0.400 . 1 . . . . 88 ASN C . 16164 1 570 . 1 1 50 50 ASN CA C 13 47.749 0.400 . 1 . . . . 88 ASN CA . 16164 1 571 . 1 1 50 50 ASN CB C 13 37.125 0.400 . 1 . . . . 88 ASN CB . 16164 1 572 . 1 1 50 50 ASN N N 15 115.631 0.400 . 1 . . . . 88 ASN N . 16164 1 573 . 1 1 50 50 ASN ND2 N 15 113.939 0.400 . 1 . . . . 88 ASN ND2 . 16164 1 574 . 1 1 51 51 PRO HA H 1 4.782 0.020 . 1 . . . . 89 PRO HA . 16164 1 575 . 1 1 51 51 PRO HB2 H 1 2.171 0.020 . 2 . . . . 89 PRO HB2 . 16164 1 576 . 1 1 51 51 PRO HB3 H 1 1.946 0.020 . 2 . . . . 89 PRO HB3 . 16164 1 577 . 1 1 51 51 PRO C C 13 173.656 0.400 . 1 . . . . 89 PRO C . 16164 1 578 . 1 1 51 51 PRO CA C 13 59.624 0.400 . 1 . . . . 89 PRO CA . 16164 1 579 . 1 1 51 51 PRO CB C 13 31.501 0.400 . 1 . . . . 89 PRO CB . 16164 1 580 . 1 1 51 51 PRO CD C 13 47.749 0.400 . 1 . . . . 89 PRO CD . 16164 1 581 . 1 1 51 51 PRO CG C 13 25.251 0.400 . 1 . . . . 89 PRO CG . 16164 1 582 . 1 1 52 52 GLN H H 1 9.076 0.020 . 1 . . . . 90 GLN H . 16164 1 583 . 1 1 52 52 GLN HA H 1 4.469 0.020 . 1 . . . . 90 GLN HA . 16164 1 584 . 1 1 52 52 GLN HB2 H 1 1.834 0.020 . 2 . . . . 90 GLN HB2 . 16164 1 585 . 1 1 52 52 GLN HB3 H 1 1.834 0.020 . 2 . . . . 90 GLN HB3 . 16164 1 586 . 1 1 52 52 GLN HE21 H 1 7.709 0.020 . 2 . . . . 90 GLN HE21 . 16164 1 587 . 1 1 52 52 GLN HE22 H 1 6.882 0.020 . 2 . . . . 90 GLN HE22 . 16164 1 588 . 1 1 52 52 GLN HG2 H 1 2.250 0.020 . 2 . . . . 90 GLN HG2 . 16164 1 589 . 1 1 52 52 GLN HG3 H 1 2.099 0.020 . 2 . . . . 90 GLN HG3 . 16164 1 590 . 1 1 52 52 GLN C C 13 172.386 0.400 . 1 . . . . 90 GLN C . 16164 1 591 . 1 1 52 52 GLN CA C 13 50.874 0.400 . 1 . . . . 90 GLN CA . 16164 1 592 . 1 1 52 52 GLN CB C 13 26.501 0.400 . 1 . . . . 90 GLN CB . 16164 1 593 . 1 1 52 52 GLN CG C 13 31.501 0.400 . 1 . . . . 90 GLN CG . 16164 1 594 . 1 1 52 52 GLN N N 15 126.827 0.400 . 1 . . . . 90 GLN N . 16164 1 595 . 1 1 52 52 GLN NE2 N 15 113.103 0.400 . 1 . . . . 90 GLN NE2 . 16164 1 596 . 1 1 53 53 PRO HA H 1 4.384 0.020 . 1 . . . . 91 PRO HA . 16164 1 597 . 1 1 53 53 PRO HB2 H 1 3.019 0.020 . 2 . . . . 91 PRO HB2 . 16164 1 598 . 1 1 53 53 PRO HB3 H 1 3.019 0.020 . 2 . . . . 91 PRO HB3 . 16164 1 599 . 1 1 53 53 PRO C C 13 174.274 0.400 . 1 . . . . 91 PRO C . 16164 1 600 . 1 1 53 53 PRO CB C 13 28.113 0.400 . 1 . . . . 91 PRO CB . 16164 1 601 . 1 1 54 54 LYS H H 1 8.401 0.020 . 1 . . . . 92 LYS H . 16164 1 602 . 1 1 54 54 LYS HA H 1 3.984 0.020 . 1 . . . . 92 LYS HA . 16164 1 603 . 1 1 54 54 LYS HB2 H 1 1.759 0.020 . 2 . . . . 92 LYS HB2 . 16164 1 604 . 1 1 54 54 LYS HB3 H 1 1.759 0.020 . 2 . . . . 92 LYS HB3 . 16164 1 605 . 1 1 54 54 LYS HD2 H 1 1.589 0.020 . 2 . . . . 92 LYS HD2 . 16164 1 606 . 1 1 54 54 LYS HD3 H 1 1.589 0.020 . 2 . . . . 92 LYS HD3 . 16164 1 607 . 1 1 54 54 LYS HE2 H 1 2.824 0.020 . 2 . . . . 92 LYS HE2 . 16164 1 608 . 1 1 54 54 LYS HE3 H 1 2.824 0.020 . 2 . . . . 92 LYS HE3 . 16164 1 609 . 1 1 54 54 LYS HG2 H 1 1.298 0.020 . 2 . . . . 92 LYS HG2 . 16164 1 610 . 1 1 54 54 LYS HG3 H 1 1.298 0.020 . 2 . . . . 92 LYS HG3 . 16164 1 611 . 1 1 54 54 LYS C C 13 173.516 0.400 . 1 . . . . 92 LYS C . 16164 1 612 . 1 1 54 54 LYS CA C 13 55.249 0.400 . 1 . . . . 92 LYS CA . 16164 1 613 . 1 1 54 54 LYS CB C 13 30.876 0.400 . 1 . . . . 92 LYS CB . 16164 1 614 . 1 1 54 54 LYS CG C 13 22.751 0.400 . 1 . . . . 92 LYS CG . 16164 1 615 . 1 1 54 54 LYS N N 15 124.538 0.400 . 1 . . . . 92 LYS N . 16164 1 616 . 1 1 55 55 ASN H H 1 8.183 0.020 . 1 . . . . 93 ASN H . 16164 1 617 . 1 1 55 55 ASN HA H 1 4.716 0.020 . 1 . . . . 93 ASN HA . 16164 1 618 . 1 1 55 55 ASN HB2 H 1 2.423 0.020 . 2 . . . . 93 ASN HB2 . 16164 1 619 . 1 1 55 55 ASN HB3 H 1 2.102 0.020 . 2 . . . . 93 ASN HB3 . 16164 1 620 . 1 1 55 55 ASN HD21 H 1 6.794 0.020 . 2 . . . . 93 ASN HD21 . 16164 1 621 . 1 1 55 55 ASN HD22 H 1 7.204 0.020 . 2 . . . . 93 ASN HD22 . 16164 1 622 . 1 1 55 55 ASN CA C 13 48.999 0.400 . 1 . . . . 93 ASN CA . 16164 1 623 . 1 1 55 55 ASN CB C 13 35.875 0.400 . 1 . . . . 93 ASN CB . 16164 1 624 . 1 1 55 55 ASN N N 15 118.677 0.400 . 1 . . . . 93 ASN N . 16164 1 625 . 1 1 55 55 ASN ND2 N 15 112.402 0.400 . 1 . . . . 93 ASN ND2 . 16164 1 626 . 1 1 56 56 TRP H H 1 8.007 0.020 . 1 . . . . 94 TRP H . 16164 1 627 . 1 1 56 56 TRP HA H 1 3.827 0.020 . 1 . . . . 94 TRP HA . 16164 1 628 . 1 1 56 56 TRP HB2 H 1 3.223 0.020 . 2 . . . . 94 TRP HB2 . 16164 1 629 . 1 1 56 56 TRP HB3 H 1 2.689 0.020 . 2 . . . . 94 TRP HB3 . 16164 1 630 . 1 1 56 56 TRP HD1 H 1 6.867 0.020 . 1 . . . . 94 TRP HD1 . 16164 1 631 . 1 1 56 56 TRP HE1 H 1 10.914 0.020 . 1 . . . . 94 TRP HE1 . 16164 1 632 . 1 1 56 56 TRP HE3 H 1 7.042 0.020 . 1 . . . . 94 TRP HE3 . 16164 1 633 . 1 1 56 56 TRP HH2 H 1 6.549 0.020 . 1 . . . . 94 TRP HH2 . 16164 1 634 . 1 1 56 56 TRP HZ2 H 1 6.588 0.020 . 1 . . . . 94 TRP HZ2 . 16164 1 635 . 1 1 56 56 TRP C C 13 173.760 0.400 . 1 . . . . 94 TRP C . 16164 1 636 . 1 1 56 56 TRP CA C 13 59.624 0.400 . 1 . . . . 94 TRP CA . 16164 1 637 . 1 1 56 56 TRP CB C 13 27.126 0.400 . 1 . . . . 94 TRP CB . 16164 1 638 . 1 1 56 56 TRP N N 15 122.195 0.400 . 1 . . . . 94 TRP N . 16164 1 639 . 1 1 56 56 TRP NE1 N 15 128.870 0.400 . 1 . . . . 94 TRP NE1 . 16164 1 640 . 1 1 57 57 ASN H H 1 7.563 0.020 . 1 . . . . 95 ASN H . 16164 1 641 . 1 1 57 57 ASN HA H 1 3.735 0.020 . 1 . . . . 95 ASN HA . 16164 1 642 . 1 1 57 57 ASN HB2 H 1 1.828 0.020 . 2 . . . . 95 ASN HB2 . 16164 1 643 . 1 1 57 57 ASN HB3 H 1 1.052 0.020 . 2 . . . . 95 ASN HB3 . 16164 1 644 . 1 1 57 57 ASN HD21 H 1 6.433 0.020 . 2 . . . . 95 ASN HD21 . 16164 1 645 . 1 1 57 57 ASN HD22 H 1 7.411 0.020 . 2 . . . . 95 ASN HD22 . 16164 1 646 . 1 1 57 57 ASN C C 13 171.952 0.400 . 1 . . . . 95 ASN C . 16164 1 647 . 1 1 57 57 ASN CA C 13 51.499 0.400 . 1 . . . . 95 ASN CA . 16164 1 648 . 1 1 57 57 ASN CB C 13 35.250 0.400 . 1 . . . . 95 ASN CB . 16164 1 649 . 1 1 57 57 ASN N N 15 129.659 0.400 . 1 . . . . 95 ASN N . 16164 1 650 . 1 1 57 57 ASN ND2 N 15 112.571 0.400 . 1 . . . . 95 ASN ND2 . 16164 1 651 . 1 1 58 58 LYS H H 1 8.110 0.020 . 1 . . . . 96 LYS H . 16164 1 652 . 1 1 58 58 LYS HA H 1 4.035 0.020 . 1 . . . . 96 LYS HA . 16164 1 653 . 1 1 58 58 LYS HB2 H 1 1.727 0.020 . 2 . . . . 96 LYS HB2 . 16164 1 654 . 1 1 58 58 LYS HB3 H 1 1.727 0.020 . 2 . . . . 96 LYS HB3 . 16164 1 655 . 1 1 58 58 LYS HD2 H 1 1.524 0.020 . 2 . . . . 96 LYS HD2 . 16164 1 656 . 1 1 58 58 LYS HD3 H 1 1.524 0.020 . 2 . . . . 96 LYS HD3 . 16164 1 657 . 1 1 58 58 LYS HG2 H 1 1.328 0.020 . 2 . . . . 96 LYS HG2 . 16164 1 658 . 1 1 58 58 LYS HG3 H 1 1.328 0.020 . 2 . . . . 96 LYS HG3 . 16164 1 659 . 1 1 58 58 LYS C C 13 174.530 0.400 . 1 . . . . 96 LYS C . 16164 1 660 . 1 1 58 58 LYS CA C 13 56.499 0.400 . 1 . . . . 96 LYS CA . 16164 1 661 . 1 1 58 58 LYS CB C 13 29.626 0.400 . 1 . . . . 96 LYS CB . 16164 1 662 . 1 1 58 58 LYS CD C 13 28.376 0.400 . 1 . . . . 96 LYS CD . 16164 1 663 . 1 1 58 58 LYS CE C 13 40.250 0.400 . 1 . . . . 96 LYS CE . 16164 1 664 . 1 1 58 58 LYS CG C 13 22.126 0.400 . 1 . . . . 96 LYS CG . 16164 1 665 . 1 1 58 58 LYS N N 15 123.913 0.400 . 1 . . . . 96 LYS N . 16164 1 666 . 1 1 59 59 ASP H H 1 7.903 0.020 . 1 . . . . 97 ASP H . 16164 1 667 . 1 1 59 59 ASP HA H 1 4.393 0.020 . 1 . . . . 97 ASP HA . 16164 1 668 . 1 1 59 59 ASP HB2 H 1 2.450 0.020 . 2 . . . . 97 ASP HB2 . 16164 1 669 . 1 1 59 59 ASP HB3 H 1 2.048 0.020 . 2 . . . . 97 ASP HB3 . 16164 1 670 . 1 1 59 59 ASP C C 13 173.724 0.400 . 1 . . . . 97 ASP C . 16164 1 671 . 1 1 59 59 ASP CA C 13 52.124 0.400 . 1 . . . . 97 ASP CA . 16164 1 672 . 1 1 59 59 ASP CB C 13 38.375 0.400 . 1 . . . . 97 ASP CB . 16164 1 673 . 1 1 59 59 ASP N N 15 118.773 0.400 . 1 . . . . 97 ASP N . 16164 1 674 . 1 1 60 60 GLY H H 1 7.819 0.020 . 1 . . . . 98 GLY H . 16164 1 675 . 1 1 60 60 GLY HA2 H 1 3.917 0.020 . 2 . . . . 98 GLY HA2 . 16164 1 676 . 1 1 60 60 GLY HA3 H 1 3.917 0.020 . 2 . . . . 98 GLY HA3 . 16164 1 677 . 1 1 60 60 GLY C C 13 168.652 0.400 . 1 . . . . 98 GLY C . 16164 1 678 . 1 1 60 60 GLY CA C 13 41.500 0.400 . 1 . . . . 98 GLY CA . 16164 1 679 . 1 1 60 60 GLY N N 15 108.742 0.400 . 1 . . . . 98 GLY N . 16164 1 680 . 1 1 61 61 TYR H H 1 8.105 0.020 . 1 . . . . 99 TYR H . 16164 1 681 . 1 1 61 61 TYR HA H 1 3.927 0.020 . 1 . . . . 99 TYR HA . 16164 1 682 . 1 1 61 61 TYR HB2 H 1 2.971 0.020 . 2 . . . . 99 TYR HB2 . 16164 1 683 . 1 1 61 61 TYR HB3 H 1 2.854 0.020 . 2 . . . . 99 TYR HB3 . 16164 1 684 . 1 1 61 61 TYR HD1 H 1 5.160 0.020 . 1 . . . . 99 TYR HD1 . 16164 1 685 . 1 1 61 61 TYR HD2 H 1 5.160 0.020 . 1 . . . . 99 TYR HD2 . 16164 1 686 . 1 1 61 61 TYR HE1 H 1 5.000 0.020 . 1 . . . . 99 TYR HE1 . 16164 1 687 . 1 1 61 61 TYR HE2 H 1 5.000 0.020 . 1 . . . . 99 TYR HE2 . 16164 1 688 . 1 1 61 61 TYR HH H 1 12.059 0.020 . 1 . . . . 99 TYR HH . 16164 1 689 . 1 1 61 61 TYR C C 13 172.831 0.400 . 1 . . . . 99 TYR C . 16164 1 690 . 1 1 61 61 TYR CA C 13 57.124 0.400 . 1 . . . . 99 TYR CA . 16164 1 691 . 1 1 61 61 TYR CB C 13 37.125 0.400 . 1 . . . . 99 TYR CB . 16164 1 692 . 1 1 61 61 TYR N N 15 113.836 0.400 . 1 . . . . 99 TYR N . 16164 1 693 . 1 1 62 62 LEU H H 1 7.352 0.020 . 1 . . . . 100 LEU H . 16164 1 694 . 1 1 62 62 LEU HA H 1 4.343 0.020 . 1 . . . . 100 LEU HA . 16164 1 695 . 1 1 62 62 LEU HB2 H 1 1.267 0.020 . 2 . . . . 100 LEU HB2 . 16164 1 696 . 1 1 62 62 LEU HB3 H 1 0.964 0.020 . 2 . . . . 100 LEU HB3 . 16164 1 697 . 1 1 62 62 LEU HD11 H 1 0.621 0.020 . 2 . . . . 100 LEU HD1 . 16164 1 698 . 1 1 62 62 LEU HD12 H 1 0.621 0.020 . 2 . . . . 100 LEU HD1 . 16164 1 699 . 1 1 62 62 LEU HD13 H 1 0.621 0.020 . 2 . . . . 100 LEU HD1 . 16164 1 700 . 1 1 62 62 LEU HD21 H 1 0.621 0.020 . 2 . . . . 100 LEU HD2 . 16164 1 701 . 1 1 62 62 LEU HD22 H 1 0.621 0.020 . 2 . . . . 100 LEU HD2 . 16164 1 702 . 1 1 62 62 LEU HD23 H 1 0.621 0.020 . 2 . . . . 100 LEU HD2 . 16164 1 703 . 1 1 62 62 LEU HG H 1 0.744 0.020 . 1 . . . . 100 LEU HG . 16164 1 704 . 1 1 62 62 LEU C C 13 173.430 0.400 . 1 . . . . 100 LEU C . 16164 1 705 . 1 1 62 62 LEU CA C 13 50.874 0.400 . 1 . . . . 100 LEU CA . 16164 1 706 . 1 1 62 62 LEU CB C 13 44.000 0.400 . 1 . . . . 100 LEU CB . 16164 1 707 . 1 1 62 62 LEU CD1 C 13 24.626 0.400 . 1 . . . . 100 LEU CD1 . 16164 1 708 . 1 1 62 62 LEU CD2 C 13 24.626 0.400 . 1 . . . . 100 LEU CD2 . 16164 1 709 . 1 1 62 62 LEU CG C 13 20.251 0.400 . 1 . . . . 100 LEU CG . 16164 1 710 . 1 1 62 62 LEU N N 15 117.112 0.400 . 1 . . . . 100 LEU N . 16164 1 711 . 1 1 63 63 LYS H H 1 8.626 0.020 . 1 . . . . 101 LYS H . 16164 1 712 . 1 1 63 63 LYS HA H 1 3.986 0.020 . 1 . . . . 101 LYS HA . 16164 1 713 . 1 1 63 63 LYS HB2 H 1 1.636 0.020 . 2 . . . . 101 LYS HB2 . 16164 1 714 . 1 1 63 63 LYS HB3 H 1 1.636 0.020 . 2 . . . . 101 LYS HB3 . 16164 1 715 . 1 1 63 63 LYS HD2 H 1 1.267 0.020 . 2 . . . . 101 LYS HD2 . 16164 1 716 . 1 1 63 63 LYS HD3 H 1 1.267 0.020 . 2 . . . . 101 LYS HD3 . 16164 1 717 . 1 1 63 63 LYS HE2 H 1 2.741 0.020 . 2 . . . . 101 LYS HE2 . 16164 1 718 . 1 1 63 63 LYS HE3 H 1 2.741 0.020 . 2 . . . . 101 LYS HE3 . 16164 1 719 . 1 1 63 63 LYS HG2 H 1 0.783 0.020 . 2 . . . . 101 LYS HG2 . 16164 1 720 . 1 1 63 63 LYS HG3 H 1 0.783 0.020 . 2 . . . . 101 LYS HG3 . 16164 1 721 . 1 1 63 63 LYS C C 13 173.851 0.400 . 1 . . . . 101 LYS C . 16164 1 722 . 1 1 63 63 LYS CA C 13 55.249 0.400 . 1 . . . . 101 LYS CA . 16164 1 723 . 1 1 63 63 LYS CB C 13 29.626 0.400 . 1 . . . . 101 LYS CB . 16164 1 724 . 1 1 63 63 LYS N N 15 129.991 0.400 . 1 . . . . 101 LYS N . 16164 1 725 . 1 1 64 64 LYS H H 1 7.059 0.020 . 1 . . . . 102 LYS H . 16164 1 726 . 1 1 64 64 LYS HA H 1 4.138 0.020 . 1 . . . . 102 LYS HA . 16164 1 727 . 1 1 64 64 LYS HB2 H 1 1.512 0.020 . 2 . . . . 102 LYS HB2 . 16164 1 728 . 1 1 64 64 LYS HB3 H 1 1.512 0.020 . 2 . . . . 102 LYS HB3 . 16164 1 729 . 1 1 64 64 LYS HD2 H 1 1.013 0.020 . 2 . . . . 102 LYS HD2 . 16164 1 730 . 1 1 64 64 LYS HD3 H 1 0.971 0.020 . 2 . . . . 102 LYS HD3 . 16164 1 731 . 1 1 64 64 LYS HE2 H 1 2.741 0.020 . 2 . . . . 102 LYS HE2 . 16164 1 732 . 1 1 64 64 LYS HE3 H 1 2.741 0.020 . 2 . . . . 102 LYS HE3 . 16164 1 733 . 1 1 64 64 LYS HG2 H 1 0.778 0.020 . 2 . . . . 102 LYS HG2 . 16164 1 734 . 1 1 64 64 LYS HG3 H 1 0.743 0.020 . 2 . . . . 102 LYS HG3 . 16164 1 735 . 1 1 64 64 LYS C C 13 171.120 0.400 . 1 . . . . 102 LYS C . 16164 1 736 . 1 1 64 64 LYS CA C 13 52.749 0.400 . 1 . . . . 102 LYS CA . 16164 1 737 . 1 1 64 64 LYS CB C 13 32.750 0.400 . 1 . . . . 102 LYS CB . 16164 1 738 . 1 1 64 64 LYS CE C 13 39.625 0.400 . 1 . . . . 102 LYS CE . 16164 1 739 . 1 1 64 64 LYS CG C 13 21.501 0.400 . 1 . . . . 102 LYS CG . 16164 1 740 . 1 1 64 64 LYS N N 15 113.255 0.400 . 1 . . . . 102 LYS N . 16164 1 741 . 1 1 65 65 LEU H H 1 8.883 0.020 . 1 . . . . 103 LEU H . 16164 1 742 . 1 1 65 65 LEU HA H 1 4.475 0.020 . 1 . . . . 103 LEU HA . 16164 1 743 . 1 1 65 65 LEU HB2 H 1 1.498 0.020 . 2 . . . . 103 LEU HB2 . 16164 1 744 . 1 1 65 65 LEU HB3 H 1 1.193 0.020 . 2 . . . . 103 LEU HB3 . 16164 1 745 . 1 1 65 65 LEU HD11 H 1 0.743 0.020 . 2 . . . . 103 LEU HD1 . 16164 1 746 . 1 1 65 65 LEU HD12 H 1 0.743 0.020 . 2 . . . . 103 LEU HD1 . 16164 1 747 . 1 1 65 65 LEU HD13 H 1 0.743 0.020 . 2 . . . . 103 LEU HD1 . 16164 1 748 . 1 1 65 65 LEU HD21 H 1 0.610 0.020 . 2 . . . . 103 LEU HD2 . 16164 1 749 . 1 1 65 65 LEU HD22 H 1 0.610 0.020 . 2 . . . . 103 LEU HD2 . 16164 1 750 . 1 1 65 65 LEU HD23 H 1 0.610 0.020 . 2 . . . . 103 LEU HD2 . 16164 1 751 . 1 1 65 65 LEU HG H 1 1.378 0.020 . 1 . . . . 103 LEU HG . 16164 1 752 . 1 1 65 65 LEU C C 13 171.487 0.400 . 1 . . . . 103 LEU C . 16164 1 753 . 1 1 65 65 LEU CA C 13 48.999 0.400 . 1 . . . . 103 LEU CA . 16164 1 754 . 1 1 65 65 LEU CB C 13 39.625 0.400 . 1 . . . . 103 LEU CB . 16164 1 755 . 1 1 65 65 LEU CD1 C 13 21.501 0.400 . 1 . . . . 103 LEU CD1 . 16164 1 756 . 1 1 65 65 LEU CD2 C 13 21.501 0.400 . 1 . . . . 103 LEU CD2 . 16164 1 757 . 1 1 65 65 LEU CG C 13 24.626 0.400 . 1 . . . . 103 LEU CG . 16164 1 758 . 1 1 65 65 LEU N N 15 126.355 0.400 . 1 . . . . 103 LEU N . 16164 1 759 . 1 1 66 66 PRO HA H 1 4.449 0.020 . 1 . . . . 104 PRO HA . 16164 1 760 . 1 1 66 66 PRO HB2 H 1 2.073 0.020 . 2 . . . . 104 PRO HB2 . 16164 1 761 . 1 1 66 66 PRO HB3 H 1 2.073 0.020 . 2 . . . . 104 PRO HB3 . 16164 1 762 . 1 1 66 66 PRO HD2 H 1 3.345 0.020 . 2 . . . . 104 PRO HD2 . 16164 1 763 . 1 1 66 66 PRO HD3 H 1 3.345 0.020 . 2 . . . . 104 PRO HD3 . 16164 1 764 . 1 1 66 66 PRO C C 13 173.363 0.400 . 1 . . . . 104 PRO C . 16164 1 765 . 1 1 66 66 PRO CA C 13 60.249 0.400 . 1 . . . . 104 PRO CA . 16164 1 766 . 1 1 66 66 PRO CB C 13 29.626 0.400 . 1 . . . . 104 PRO CB . 16164 1 767 . 1 1 66 66 PRO CD C 13 48.374 0.400 . 1 . . . . 104 PRO CD . 16164 1 768 . 1 1 66 66 PRO CG C 13 25.251 0.400 . 1 . . . . 104 PRO CG . 16164 1 769 . 1 1 67 67 VAL H H 1 7.682 0.020 . 1 . . . . 105 VAL H . 16164 1 770 . 1 1 67 67 VAL HA H 1 4.121 0.020 . 1 . . . . 105 VAL HA . 16164 1 771 . 1 1 67 67 VAL HB H 1 1.493 0.020 . 1 . . . . 105 VAL HB . 16164 1 772 . 1 1 67 67 VAL HG11 H 1 0.074 0.020 . 2 . . . . 105 VAL HG1 . 16164 1 773 . 1 1 67 67 VAL HG12 H 1 0.074 0.020 . 2 . . . . 105 VAL HG1 . 16164 1 774 . 1 1 67 67 VAL HG13 H 1 0.074 0.020 . 2 . . . . 105 VAL HG1 . 16164 1 775 . 1 1 67 67 VAL HG21 H 1 0.663 0.020 . 2 . . . . 105 VAL HG2 . 16164 1 776 . 1 1 67 67 VAL HG22 H 1 0.663 0.020 . 2 . . . . 105 VAL HG2 . 16164 1 777 . 1 1 67 67 VAL HG23 H 1 0.663 0.020 . 2 . . . . 105 VAL HG2 . 16164 1 778 . 1 1 67 67 VAL C C 13 171.667 0.400 . 1 . . . . 105 VAL C . 16164 1 779 . 1 1 67 67 VAL CA C 13 58.374 0.400 . 1 . . . . 105 VAL CA . 16164 1 780 . 1 1 67 67 VAL CB C 13 30.251 0.400 . 1 . . . . 105 VAL CB . 16164 1 781 . 1 1 67 67 VAL CG1 C 13 19.001 0.400 . 1 . . . . 105 VAL CG1 . 16164 1 782 . 1 1 67 67 VAL CG2 C 13 19.001 0.400 . 1 . . . . 105 VAL CG2 . 16164 1 783 . 1 1 67 67 VAL N N 15 114.671 0.400 . 1 . . . . 105 VAL N . 16164 1 784 . 1 1 68 68 ASP H H 1 8.216 0.020 . 1 . . . . 106 ASP H . 16164 1 785 . 1 1 68 68 ASP HA H 1 4.474 0.020 . 1 . . . . 106 ASP HA . 16164 1 786 . 1 1 68 68 ASP HB2 H 1 2.805 0.020 . 2 . . . . 106 ASP HB2 . 16164 1 787 . 1 1 68 68 ASP HB3 H 1 2.805 0.020 . 2 . . . . 106 ASP HB3 . 16164 1 788 . 1 1 68 68 ASP C C 13 172.452 0.400 . 1 . . . . 106 ASP C . 16164 1 789 . 1 1 68 68 ASP CA C 13 50.249 0.400 . 1 . . . . 106 ASP CA . 16164 1 790 . 1 1 68 68 ASP CB C 13 37.750 0.400 . 1 . . . . 106 ASP CB . 16164 1 791 . 1 1 68 68 ASP N N 15 123.825 0.400 . 1 . . . . 106 ASP N . 16164 1 792 . 1 1 69 69 PRO HA H 1 3.920 0.020 . 1 . . . . 107 PRO HA . 16164 1 793 . 1 1 69 69 PRO HB2 H 1 1.742 0.020 . 2 . . . . 107 PRO HB2 . 16164 1 794 . 1 1 69 69 PRO HB3 H 1 1.742 0.020 . 2 . . . . 107 PRO HB3 . 16164 1 795 . 1 1 69 69 PRO HD2 H 1 3.165 0.020 . 2 . . . . 107 PRO HD2 . 16164 1 796 . 1 1 69 69 PRO HD3 H 1 3.165 0.020 . 2 . . . . 107 PRO HD3 . 16164 1 797 . 1 1 69 69 PRO CA C 13 62.123 0.400 . 1 . . . . 107 PRO CA . 16164 1 798 . 1 1 69 69 PRO CB C 13 27.751 0.400 . 1 . . . . 107 PRO CB . 16164 1 799 . 1 1 69 69 PRO CD C 13 48.374 0.400 . 1 . . . . 107 PRO CD . 16164 1 800 . 1 1 69 69 PRO CG C 13 24.001 0.400 . 1 . . . . 107 PRO CG . 16164 1 801 . 1 1 70 70 TRP H H 1 8.156 0.020 . 1 . . . . 108 TRP H . 16164 1 802 . 1 1 70 70 TRP HA H 1 4.274 0.020 . 1 . . . . 108 TRP HA . 16164 1 803 . 1 1 70 70 TRP HB2 H 1 3.155 0.020 . 2 . . . . 108 TRP HB2 . 16164 1 804 . 1 1 70 70 TRP HB3 H 1 3.155 0.020 . 2 . . . . 108 TRP HB3 . 16164 1 805 . 1 1 70 70 TRP HD1 H 1 7.184 0.020 . 1 . . . . 108 TRP HD1 . 16164 1 806 . 1 1 70 70 TRP HE1 H 1 10.355 0.020 . 1 . . . . 108 TRP HE1 . 16164 1 807 . 1 1 70 70 TRP HE3 H 1 7.133 0.020 . 1 . . . . 108 TRP HE3 . 16164 1 808 . 1 1 70 70 TRP HH2 H 1 6.800 0.020 . 1 . . . . 108 TRP HH2 . 16164 1 809 . 1 1 70 70 TRP HZ2 H 1 7.269 0.020 . 1 . . . . 108 TRP HZ2 . 16164 1 810 . 1 1 70 70 TRP HZ3 H 1 6.895 0.020 . 1 . . . . 108 TRP HZ3 . 16164 1 811 . 1 1 70 70 TRP CA C 13 57.124 0.400 . 1 . . . . 108 TRP CA . 16164 1 812 . 1 1 70 70 TRP CB C 13 25.251 0.400 . 1 . . . . 108 TRP CB . 16164 1 813 . 1 1 70 70 TRP N N 15 118.137 0.400 . 1 . . . . 108 TRP N . 16164 1 814 . 1 1 70 70 TRP NE1 N 15 130.464 0.400 . 1 . . . . 108 TRP NE1 . 16164 1 815 . 1 1 71 71 GLY H H 1 8.209 0.020 . 1 . . . . 109 GLY H . 16164 1 816 . 1 1 71 71 GLY HA2 H 1 4.030 0.020 . 2 . . . . 109 GLY HA2 . 16164 1 817 . 1 1 71 71 GLY HA3 H 1 3.303 0.020 . 2 . . . . 109 GLY HA3 . 16164 1 818 . 1 1 71 71 GLY CA C 13 42.750 0.400 . 1 . . . . 109 GLY CA . 16164 1 819 . 1 1 71 71 GLY N N 15 107.495 0.400 . 1 . . . . 109 GLY N . 16164 1 820 . 1 1 72 72 ASN H H 1 8.116 0.020 . 1 . . . . 110 ASN H . 16164 1 821 . 1 1 72 72 ASN HA H 1 5.103 0.020 . 1 . . . . 110 ASN HA . 16164 1 822 . 1 1 72 72 ASN HB2 H 1 2.503 0.020 . 2 . . . . 110 ASN HB2 . 16164 1 823 . 1 1 72 72 ASN HB3 H 1 2.279 0.020 . 2 . . . . 110 ASN HB3 . 16164 1 824 . 1 1 72 72 ASN HD21 H 1 6.930 0.020 . 2 . . . . 110 ASN HD21 . 16164 1 825 . 1 1 72 72 ASN HD22 H 1 9.559 0.020 . 2 . . . . 110 ASN HD22 . 16164 1 826 . 1 1 72 72 ASN CA C 13 48.374 0.400 . 1 . . . . 110 ASN CA . 16164 1 827 . 1 1 72 72 ASN CB C 13 36.500 0.400 . 1 . . . . 110 ASN CB . 16164 1 828 . 1 1 72 72 ASN N N 15 120.108 0.400 . 1 . . . . 110 ASN N . 16164 1 829 . 1 1 72 72 ASN ND2 N 15 120.093 0.400 . 1 . . . . 110 ASN ND2 . 16164 1 830 . 1 1 73 73 PRO HA H 1 4.397 0.020 . 1 . . . . 111 PRO HA . 16164 1 831 . 1 1 73 73 PRO HB2 H 1 2.194 0.020 . 2 . . . . 111 PRO HB2 . 16164 1 832 . 1 1 73 73 PRO HB3 H 1 1.554 0.020 . 2 . . . . 111 PRO HB3 . 16164 1 833 . 1 1 73 73 PRO HD2 H 1 3.752 0.020 . 2 . . . . 111 PRO HD2 . 16164 1 834 . 1 1 73 73 PRO HD3 H 1 3.407 0.020 . 2 . . . . 111 PRO HD3 . 16164 1 835 . 1 1 73 73 PRO C C 13 176.229 0.400 . 1 . . . . 111 PRO C . 16164 1 836 . 1 1 73 73 PRO CA C 13 60.249 0.400 . 1 . . . . 111 PRO CA . 16164 1 837 . 1 1 73 73 PRO CB C 13 29.001 0.400 . 1 . . . . 111 PRO CB . 16164 1 838 . 1 1 73 73 PRO CD C 13 47.749 0.400 . 1 . . . . 111 PRO CD . 16164 1 839 . 1 1 73 73 PRO CG C 13 24.626 0.400 . 1 . . . . 111 PRO CG . 16164 1 840 . 1 1 74 74 TYR H H 1 8.893 0.020 . 1 . . . . 112 TYR H . 16164 1 841 . 1 1 74 74 TYR HA H 1 4.064 0.020 . 1 . . . . 112 TYR HA . 16164 1 842 . 1 1 74 74 TYR HB2 H 1 2.462 0.020 . 2 . . . . 112 TYR HB2 . 16164 1 843 . 1 1 74 74 TYR HB3 H 1 2.311 0.020 . 2 . . . . 112 TYR HB3 . 16164 1 844 . 1 1 74 74 TYR HD1 H 1 6.582 0.020 . 1 . . . . 112 TYR HD1 . 16164 1 845 . 1 1 74 74 TYR HD2 H 1 6.582 0.020 . 1 . . . . 112 TYR HD2 . 16164 1 846 . 1 1 74 74 TYR HE1 H 1 6.550 0.020 . 1 . . . . 112 TYR HE1 . 16164 1 847 . 1 1 74 74 TYR HE2 H 1 6.550 0.020 . 1 . . . . 112 TYR HE2 . 16164 1 848 . 1 1 74 74 TYR HH H 1 11.656 0.020 . 1 . . . . 112 TYR HH . 16164 1 849 . 1 1 74 74 TYR C C 13 171.951 0.400 . 1 . . . . 112 TYR C . 16164 1 850 . 1 1 74 74 TYR CA C 13 60.249 0.400 . 1 . . . . 112 TYR CA . 16164 1 851 . 1 1 74 74 TYR CB C 13 36.500 0.400 . 1 . . . . 112 TYR CB . 16164 1 852 . 1 1 74 74 TYR N N 15 124.595 0.400 . 1 . . . . 112 TYR N . 16164 1 853 . 1 1 75 75 GLN H H 1 9.127 0.020 . 1 . . . . 113 GLN H . 16164 1 854 . 1 1 75 75 GLN HA H 1 4.019 0.020 . 1 . . . . 113 GLN HA . 16164 1 855 . 1 1 75 75 GLN HB2 H 1 2.467 0.020 . 2 . . . . 113 GLN HB2 . 16164 1 856 . 1 1 75 75 GLN HB3 H 1 2.467 0.020 . 2 . . . . 113 GLN HB3 . 16164 1 857 . 1 1 75 75 GLN HE21 H 1 6.946 0.020 . 2 . . . . 113 GLN HE21 . 16164 1 858 . 1 1 75 75 GLN HE22 H 1 7.136 0.020 . 2 . . . . 113 GLN HE22 . 16164 1 859 . 1 1 75 75 GLN HG2 H 1 1.876 0.020 . 2 . . . . 113 GLN HG2 . 16164 1 860 . 1 1 75 75 GLN HG3 H 1 1.598 0.020 . 2 . . . . 113 GLN HG3 . 16164 1 861 . 1 1 75 75 GLN C C 13 171.436 0.400 . 1 . . . . 113 GLN C . 16164 1 862 . 1 1 75 75 GLN CA C 13 50.874 0.400 . 1 . . . . 113 GLN CA . 16164 1 863 . 1 1 75 75 GLN CB C 13 29.469 0.400 . 1 . . . . 113 GLN CB . 16164 1 864 . 1 1 75 75 GLN CG C 13 31.501 0.400 . 1 . . . . 113 GLN CG . 16164 1 865 . 1 1 75 75 GLN N N 15 120.777 0.400 . 1 . . . . 113 GLN N . 16164 1 866 . 1 1 75 75 GLN NE2 N 15 115.990 0.400 . 1 . . . . 113 GLN NE2 . 16164 1 867 . 1 1 76 76 TYR H H 1 7.906 0.020 . 1 . . . . 114 TYR H . 16164 1 868 . 1 1 76 76 TYR HA H 1 5.586 0.020 . 1 . . . . 114 TYR HA . 16164 1 869 . 1 1 76 76 TYR HB2 H 1 2.538 0.020 . 2 . . . . 114 TYR HB2 . 16164 1 870 . 1 1 76 76 TYR HB3 H 1 2.538 0.020 . 2 . . . . 114 TYR HB3 . 16164 1 871 . 1 1 76 76 TYR HD1 H 1 6.842 0.020 . 1 . . . . 114 TYR HD1 . 16164 1 872 . 1 1 76 76 TYR HD2 H 1 6.842 0.020 . 1 . . . . 114 TYR HD2 . 16164 1 873 . 1 1 76 76 TYR HE1 H 1 7.037 0.020 . 1 . . . . 114 TYR HE1 . 16164 1 874 . 1 1 76 76 TYR HE2 H 1 7.037 0.020 . 1 . . . . 114 TYR HE2 . 16164 1 875 . 1 1 76 76 TYR C C 13 171.343 0.400 . 1 . . . . 114 TYR C . 16164 1 876 . 1 1 76 76 TYR CA C 13 53.999 0.400 . 1 . . . . 114 TYR CA . 16164 1 877 . 1 1 76 76 TYR CB C 13 40.250 0.400 . 1 . . . . 114 TYR CB . 16164 1 878 . 1 1 76 76 TYR N N 15 120.757 0.400 . 1 . . . . 114 TYR N . 16164 1 879 . 1 1 77 77 LEU H H 1 8.261 0.020 . 1 . . . . 115 LEU H . 16164 1 880 . 1 1 77 77 LEU HA H 1 4.280 0.020 . 1 . . . . 115 LEU HA . 16164 1 881 . 1 1 77 77 LEU HB2 H 1 1.576 0.020 . 2 . . . . 115 LEU HB2 . 16164 1 882 . 1 1 77 77 LEU HB3 H 1 1.329 0.020 . 2 . . . . 115 LEU HB3 . 16164 1 883 . 1 1 77 77 LEU HD11 H 1 0.864 0.020 . 2 . . . . 115 LEU HD1 . 16164 1 884 . 1 1 77 77 LEU HD12 H 1 0.864 0.020 . 2 . . . . 115 LEU HD1 . 16164 1 885 . 1 1 77 77 LEU HD13 H 1 0.864 0.020 . 2 . . . . 115 LEU HD1 . 16164 1 886 . 1 1 77 77 LEU HD21 H 1 0.864 0.020 . 2 . . . . 115 LEU HD2 . 16164 1 887 . 1 1 77 77 LEU HD22 H 1 0.864 0.020 . 2 . . . . 115 LEU HD2 . 16164 1 888 . 1 1 77 77 LEU HD23 H 1 0.864 0.020 . 2 . . . . 115 LEU HD2 . 16164 1 889 . 1 1 77 77 LEU HG H 1 1.429 0.020 . 1 . . . . 115 LEU HG . 16164 1 890 . 1 1 77 77 LEU C C 13 170.921 0.400 . 1 . . . . 115 LEU C . 16164 1 891 . 1 1 77 77 LEU CA C 13 51.499 0.400 . 1 . . . . 115 LEU CA . 16164 1 892 . 1 1 77 77 LEU CB C 13 44.625 0.400 . 1 . . . . 115 LEU CB . 16164 1 893 . 1 1 77 77 LEU CD1 C 13 23.376 0.400 . 1 . . . . 115 LEU CD1 . 16164 1 894 . 1 1 77 77 LEU CD2 C 13 23.376 0.400 . 1 . . . . 115 LEU CD2 . 16164 1 895 . 1 1 77 77 LEU CG C 13 20.876 0.400 . 1 . . . . 115 LEU CG . 16164 1 896 . 1 1 77 77 LEU N N 15 130.662 0.400 . 1 . . . . 115 LEU N . 16164 1 897 . 1 1 78 78 ALA H H 1 7.973 0.020 . 1 . . . . 116 ALA H . 16164 1 898 . 1 1 78 78 ALA HA H 1 4.292 0.020 . 1 . . . . 116 ALA HA . 16164 1 899 . 1 1 78 78 ALA HB1 H 1 1.092 0.020 . 1 . . . . 116 ALA HB . 16164 1 900 . 1 1 78 78 ALA HB2 H 1 1.092 0.020 . 1 . . . . 116 ALA HB . 16164 1 901 . 1 1 78 78 ALA HB3 H 1 1.092 0.020 . 1 . . . . 116 ALA HB . 16164 1 902 . 1 1 78 78 ALA C C 13 172.093 0.400 . 1 . . . . 116 ALA C . 16164 1 903 . 1 1 78 78 ALA CA C 13 47.749 0.400 . 1 . . . . 116 ALA CA . 16164 1 904 . 1 1 78 78 ALA CB C 13 19.626 0.400 . 1 . . . . 116 ALA CB . 16164 1 905 . 1 1 78 78 ALA N N 15 125.564 0.400 . 1 . . . . 116 ALA N . 16164 1 906 . 1 1 79 79 PRO HA H 1 4.698 0.020 . 1 . . . . 117 PRO HA . 16164 1 907 . 1 1 79 79 PRO HB2 H 1 2.350 0.020 . 2 . . . . 117 PRO HB2 . 16164 1 908 . 1 1 79 79 PRO HB3 H 1 1.906 0.020 . 2 . . . . 117 PRO HB3 . 16164 1 909 . 1 1 79 79 PRO HD2 H 1 3.648 0.020 . 2 . . . . 117 PRO HD2 . 16164 1 910 . 1 1 79 79 PRO HD3 H 1 3.648 0.020 . 2 . . . . 117 PRO HD3 . 16164 1 911 . 1 1 79 79 PRO C C 13 173.994 0.400 . 1 . . . . 117 PRO C . 16164 1 912 . 1 1 79 79 PRO CA C 13 60.249 0.400 . 1 . . . . 117 PRO CA . 16164 1 913 . 1 1 79 79 PRO CB C 13 31.501 0.400 . 1 . . . . 117 PRO CB . 16164 1 914 . 1 1 79 79 PRO CD C 13 47.124 0.400 . 1 . . . . 117 PRO CD . 16164 1 915 . 1 1 79 79 PRO CG C 13 22.751 0.400 . 1 . . . . 117 PRO CG . 16164 1 916 . 1 1 80 80 GLY H H 1 7.096 0.020 . 1 . . . . 118 GLY H . 16164 1 917 . 1 1 80 80 GLY HA2 H 1 3.797 0.020 . 2 . . . . 118 GLY HA2 . 16164 1 918 . 1 1 80 80 GLY HA3 H 1 3.517 0.020 . 2 . . . . 118 GLY HA3 . 16164 1 919 . 1 1 80 80 GLY C C 13 171.404 0.400 . 1 . . . . 118 GLY C . 16164 1 920 . 1 1 80 80 GLY CA C 13 41.500 0.400 . 1 . . . . 118 GLY CA . 16164 1 921 . 1 1 80 80 GLY N N 15 108.306 0.400 . 1 . . . . 118 GLY N . 16164 1 922 . 1 1 81 81 THR H H 1 9.810 0.020 . 1 . . . . 119 THR H . 16164 1 923 . 1 1 81 81 THR HA H 1 4.091 0.020 . 1 . . . . 119 THR HA . 16164 1 924 . 1 1 81 81 THR HB H 1 3.852 0.020 . 1 . . . . 119 THR HB . 16164 1 925 . 1 1 81 81 THR HG21 H 1 0.936 0.020 . 1 . . . . 119 THR HG2 . 16164 1 926 . 1 1 81 81 THR HG22 H 1 0.936 0.020 . 1 . . . . 119 THR HG2 . 16164 1 927 . 1 1 81 81 THR HG23 H 1 0.936 0.020 . 1 . . . . 119 THR HG2 . 16164 1 928 . 1 1 81 81 THR C C 13 174.242 0.400 . 1 . . . . 119 THR C . 16164 1 929 . 1 1 81 81 THR CA C 13 60.874 0.400 . 1 . . . . 119 THR CA . 16164 1 930 . 1 1 81 81 THR CB C 13 66.498 0.400 . 1 . . . . 119 THR CB . 16164 1 931 . 1 1 81 81 THR CG2 C 13 19.626 0.400 . 1 . . . . 119 THR CG2 . 16164 1 932 . 1 1 81 81 THR N N 15 112.813 0.400 . 1 . . . . 119 THR N . 16164 1 933 . 1 1 82 82 LYS H H 1 8.964 0.020 . 1 . . . . 120 LYS H . 16164 1 934 . 1 1 82 82 LYS HA H 1 4.150 0.020 . 1 . . . . 120 LYS HA . 16164 1 935 . 1 1 82 82 LYS HB2 H 1 1.555 0.020 . 2 . . . . 120 LYS HB2 . 16164 1 936 . 1 1 82 82 LYS HB3 H 1 1.305 0.020 . 2 . . . . 120 LYS HB3 . 16164 1 937 . 1 1 82 82 LYS HD2 H 1 0.711 0.020 . 2 . . . . 120 LYS HD2 . 16164 1 938 . 1 1 82 82 LYS HD3 H 1 0.711 0.020 . 2 . . . . 120 LYS HD3 . 16164 1 939 . 1 1 82 82 LYS HG2 H 1 0.587 0.020 . 2 . . . . 120 LYS HG2 . 16164 1 940 . 1 1 82 82 LYS HG3 H 1 0.587 0.020 . 2 . . . . 120 LYS HG3 . 16164 1 941 . 1 1 82 82 LYS C C 13 172.886 0.400 . 1 . . . . 120 LYS C . 16164 1 942 . 1 1 82 82 LYS CA C 13 53.999 0.400 . 1 . . . . 120 LYS CA . 16164 1 943 . 1 1 82 82 LYS CB C 13 30.876 0.400 . 1 . . . . 120 LYS CB . 16164 1 944 . 1 1 82 82 LYS N N 15 123.569 0.400 . 1 . . . . 120 LYS N . 16164 1 945 . 1 1 83 83 GLY H H 1 7.125 0.020 . 1 . . . . 121 GLY H . 16164 1 946 . 1 1 83 83 GLY HA2 H 1 3.814 0.020 . 2 . . . . 121 GLY HA2 . 16164 1 947 . 1 1 83 83 GLY HA3 H 1 3.814 0.020 . 2 . . . . 121 GLY HA3 . 16164 1 948 . 1 1 83 83 GLY C C 13 167.671 0.400 . 1 . . . . 121 GLY C . 16164 1 949 . 1 1 83 83 GLY CA C 13 42.125 0.400 . 1 . . . . 121 GLY CA . 16164 1 950 . 1 1 83 83 GLY N N 15 107.253 0.400 . 1 . . . . 121 GLY N . 16164 1 951 . 1 1 84 84 PRO HA H 1 4.077 0.020 . 1 . . . . 122 PRO HA . 16164 1 952 . 1 1 84 84 PRO HB2 H 1 2.475 0.020 . 2 . . . . 122 PRO HB2 . 16164 1 953 . 1 1 84 84 PRO HB3 H 1 1.812 0.020 . 2 . . . . 122 PRO HB3 . 16164 1 954 . 1 1 84 84 PRO HD2 H 1 3.412 0.020 . 2 . . . . 122 PRO HD2 . 16164 1 955 . 1 1 84 84 PRO HD3 H 1 3.339 0.020 . 2 . . . . 122 PRO HD3 . 16164 1 956 . 1 1 84 84 PRO HG2 H 1 1.958 0.020 . 2 . . . . 122 PRO HG2 . 16164 1 957 . 1 1 84 84 PRO HG3 H 1 1.958 0.020 . 2 . . . . 122 PRO HG3 . 16164 1 958 . 1 1 84 84 PRO C C 13 175.199 0.400 . 1 . . . . 122 PRO C . 16164 1 959 . 1 1 84 84 PRO CA C 13 63.373 0.400 . 1 . . . . 122 PRO CA . 16164 1 960 . 1 1 84 84 PRO CB C 13 30.251 0.400 . 1 . . . . 122 PRO CB . 16164 1 961 . 1 1 84 84 PRO CD C 13 45.875 0.400 . 1 . . . . 122 PRO CD . 16164 1 962 . 1 1 85 85 PHE H H 1 6.652 0.020 . 1 . . . . 123 PHE H . 16164 1 963 . 1 1 85 85 PHE HA H 1 4.744 0.020 . 1 . . . . 123 PHE HA . 16164 1 964 . 1 1 85 85 PHE HB2 H 1 2.610 0.020 . 2 . . . . 123 PHE HB2 . 16164 1 965 . 1 1 85 85 PHE HB3 H 1 2.397 0.020 . 2 . . . . 123 PHE HB3 . 16164 1 966 . 1 1 85 85 PHE HD1 H 1 5.964 0.020 . 1 . . . . 123 PHE HD1 . 16164 1 967 . 1 1 85 85 PHE HD2 H 1 5.964 0.020 . 1 . . . . 123 PHE HD2 . 16164 1 968 . 1 1 85 85 PHE HE1 H 1 6.866 0.020 . 1 . . . . 123 PHE HE1 . 16164 1 969 . 1 1 85 85 PHE HE2 H 1 6.866 0.020 . 1 . . . . 123 PHE HE2 . 16164 1 970 . 1 1 85 85 PHE HZ H 1 7.101 0.020 . 1 . . . . 123 PHE HZ . 16164 1 971 . 1 1 85 85 PHE C C 13 170.340 0.400 . 1 . . . . 123 PHE C . 16164 1 972 . 1 1 85 85 PHE CA C 13 53.999 0.400 . 1 . . . . 123 PHE CA . 16164 1 973 . 1 1 85 85 PHE CB C 13 39.000 0.400 . 1 . . . . 123 PHE CB . 16164 1 974 . 1 1 85 85 PHE N N 15 108.468 0.400 . 1 . . . . 123 PHE N . 16164 1 975 . 1 1 86 86 ASP H H 1 9.268 0.020 . 1 . . . . 124 ASP H . 16164 1 976 . 1 1 86 86 ASP HA H 1 5.108 0.020 . 1 . . . . 124 ASP HA . 16164 1 977 . 1 1 86 86 ASP HB2 H 1 2.741 0.020 . 2 . . . . 124 ASP HB2 . 16164 1 978 . 1 1 86 86 ASP HB3 H 1 2.647 0.020 . 2 . . . . 124 ASP HB3 . 16164 1 979 . 1 1 86 86 ASP C C 13 171.180 0.400 . 1 . . . . 124 ASP C . 16164 1 980 . 1 1 86 86 ASP CA C 13 50.249 0.400 . 1 . . . . 124 ASP CA . 16164 1 981 . 1 1 86 86 ASP CB C 13 40.250 0.400 . 1 . . . . 124 ASP CB . 16164 1 982 . 1 1 86 86 ASP N N 15 121.741 0.400 . 1 . . . . 124 ASP N . 16164 1 983 . 1 1 87 87 LEU H H 1 8.018 0.020 . 1 . . . . 125 LEU H . 16164 1 984 . 1 1 87 87 LEU HA H 1 5.809 0.020 . 1 . . . . 125 LEU HA . 16164 1 985 . 1 1 87 87 LEU HB2 H 1 2.473 0.020 . 2 . . . . 125 LEU HB2 . 16164 1 986 . 1 1 87 87 LEU HB3 H 1 2.473 0.020 . 2 . . . . 125 LEU HB3 . 16164 1 987 . 1 1 87 87 LEU HD11 H 1 0.911 0.020 . 2 . . . . 125 LEU HD1 . 16164 1 988 . 1 1 87 87 LEU HD12 H 1 0.911 0.020 . 2 . . . . 125 LEU HD1 . 16164 1 989 . 1 1 87 87 LEU HD13 H 1 0.911 0.020 . 2 . . . . 125 LEU HD1 . 16164 1 990 . 1 1 87 87 LEU HD21 H 1 0.617 0.020 . 2 . . . . 125 LEU HD2 . 16164 1 991 . 1 1 87 87 LEU HD22 H 1 0.617 0.020 . 2 . . . . 125 LEU HD2 . 16164 1 992 . 1 1 87 87 LEU HD23 H 1 0.617 0.020 . 2 . . . . 125 LEU HD2 . 16164 1 993 . 1 1 87 87 LEU HG H 1 1.501 0.020 . 1 . . . . 125 LEU HG . 16164 1 994 . 1 1 87 87 LEU C C 13 171.350 0.400 . 1 . . . . 125 LEU C . 16164 1 995 . 1 1 87 87 LEU CA C 13 50.874 0.400 . 1 . . . . 125 LEU CA . 16164 1 996 . 1 1 87 87 LEU CB C 13 44.318 0.400 . 1 . . . . 125 LEU CB . 16164 1 997 . 1 1 87 87 LEU CD1 C 13 21.501 0.400 . 1 . . . . 125 LEU CD1 . 16164 1 998 . 1 1 87 87 LEU CD2 C 13 21.501 0.400 . 1 . . . . 125 LEU CD2 . 16164 1 999 . 1 1 87 87 LEU N N 15 123.629 0.400 . 1 . . . . 125 LEU N . 16164 1 1000 . 1 1 88 88 TYR H H 1 8.912 0.020 . 1 . . . . 126 TYR H . 16164 1 1001 . 1 1 88 88 TYR HA H 1 5.630 0.020 . 1 . . . . 126 TYR HA . 16164 1 1002 . 1 1 88 88 TYR HB2 H 1 3.085 0.020 . 2 . . . . 126 TYR HB2 . 16164 1 1003 . 1 1 88 88 TYR HB3 H 1 3.085 0.020 . 2 . . . . 126 TYR HB3 . 16164 1 1004 . 1 1 88 88 TYR HD1 H 1 6.550 0.020 . 1 . . . . 126 TYR HD1 . 16164 1 1005 . 1 1 88 88 TYR HD2 H 1 6.550 0.020 . 1 . . . . 126 TYR HD2 . 16164 1 1006 . 1 1 88 88 TYR HE1 H 1 6.582 0.020 . 1 . . . . 126 TYR HE1 . 16164 1 1007 . 1 1 88 88 TYR HE2 H 1 6.582 0.020 . 1 . . . . 126 TYR HE2 . 16164 1 1008 . 1 1 88 88 TYR C C 13 171.410 0.400 . 1 . . . . 126 TYR C . 16164 1 1009 . 1 1 88 88 TYR CA C 13 52.749 0.400 . 1 . . . . 126 TYR CA . 16164 1 1010 . 1 1 88 88 TYR CB C 13 37.750 0.400 . 1 . . . . 126 TYR CB . 16164 1 1011 . 1 1 88 88 TYR N N 15 119.697 0.400 . 1 . . . . 126 TYR N . 16164 1 1012 . 1 1 89 89 SER H H 1 9.319 0.020 . 1 . . . . 127 SER H . 16164 1 1013 . 1 1 89 89 SER HA H 1 5.429 0.020 . 1 . . . . 127 SER HA . 16164 1 1014 . 1 1 89 89 SER HB2 H 1 3.660 0.020 . 2 . . . . 127 SER HB2 . 16164 1 1015 . 1 1 89 89 SER HB3 H 1 3.660 0.020 . 2 . . . . 127 SER HB3 . 16164 1 1016 . 1 1 89 89 SER CA C 13 52.124 0.400 . 1 . . . . 127 SER CA . 16164 1 1017 . 1 1 89 89 SER CB C 13 62.748 0.400 . 1 . . . . 127 SER CB . 16164 1 1018 . 1 1 89 89 SER N N 15 112.637 0.400 . 1 . . . . 127 SER N . 16164 1 1019 . 1 1 90 90 LEU H H 1 8.759 0.020 . 1 . . . . 128 LEU H . 16164 1 1020 . 1 1 90 90 LEU HA H 1 4.186 0.020 . 1 . . . . 128 LEU HA . 16164 1 1021 . 1 1 90 90 LEU HB2 H 1 1.862 0.020 . 2 . . . . 128 LEU HB2 . 16164 1 1022 . 1 1 90 90 LEU HB3 H 1 1.862 0.020 . 2 . . . . 128 LEU HB3 . 16164 1 1023 . 1 1 90 90 LEU HD11 H 1 0.493 0.020 . 2 . . . . 128 LEU HD1 . 16164 1 1024 . 1 1 90 90 LEU HD12 H 1 0.493 0.020 . 2 . . . . 128 LEU HD1 . 16164 1 1025 . 1 1 90 90 LEU HD13 H 1 0.493 0.020 . 2 . . . . 128 LEU HD1 . 16164 1 1026 . 1 1 90 90 LEU HD21 H 1 0.650 0.020 . 2 . . . . 128 LEU HD2 . 16164 1 1027 . 1 1 90 90 LEU HD22 H 1 0.650 0.020 . 2 . . . . 128 LEU HD2 . 16164 1 1028 . 1 1 90 90 LEU HD23 H 1 0.650 0.020 . 2 . . . . 128 LEU HD2 . 16164 1 1029 . 1 1 90 90 LEU HG H 1 1.377 0.020 . 1 . . . . 128 LEU HG . 16164 1 1030 . 1 1 90 90 LEU C C 13 175.121 0.400 . 1 . . . . 128 LEU C . 16164 1 1031 . 1 1 90 90 LEU CA C 13 52.749 0.400 . 1 . . . . 128 LEU CA . 16164 1 1032 . 1 1 90 90 LEU CB C 13 35.875 0.400 . 1 . . . . 128 LEU CB . 16164 1 1033 . 1 1 90 90 LEU N N 15 126.728 0.400 . 1 . . . . 128 LEU N . 16164 1 1034 . 1 1 91 91 GLY H H 1 8.356 0.020 . 1 . . . . 129 GLY H . 16164 1 1035 . 1 1 91 91 GLY HA2 H 1 3.373 0.020 . 2 . . . . 129 GLY HA2 . 16164 1 1036 . 1 1 91 91 GLY HA3 H 1 3.373 0.020 . 2 . . . . 129 GLY HA3 . 16164 1 1037 . 1 1 91 91 GLY C C 13 172.013 0.400 . 1 . . . . 129 GLY C . 16164 1 1038 . 1 1 91 91 GLY CA C 13 41.500 0.400 . 1 . . . . 129 GLY CA . 16164 1 1039 . 1 1 91 91 GLY N N 15 108.559 0.400 . 1 . . . . 129 GLY N . 16164 1 1040 . 1 1 92 92 ALA H H 1 7.047 0.020 . 1 . . . . 130 ALA H . 16164 1 1041 . 1 1 92 92 ALA HA H 1 4.037 0.020 . 1 . . . . 130 ALA HA . 16164 1 1042 . 1 1 92 92 ALA HB1 H 1 0.861 0.020 . 1 . . . . 130 ALA HB . 16164 1 1043 . 1 1 92 92 ALA HB2 H 1 0.861 0.020 . 1 . . . . 130 ALA HB . 16164 1 1044 . 1 1 92 92 ALA HB3 H 1 0.861 0.020 . 1 . . . . 130 ALA HB . 16164 1 1045 . 1 1 92 92 ALA C C 13 174.890 0.400 . 1 . . . . 130 ALA C . 16164 1 1046 . 1 1 92 92 ALA CA C 13 52.100 0.400 . 1 . . . . 130 ALA CA . 16164 1 1047 . 1 1 92 92 ALA CB C 13 16.502 0.400 . 1 . . . . 130 ALA CB . 16164 1 1048 . 1 1 92 92 ALA N N 15 118.393 0.400 . 1 . . . . 130 ALA N . 16164 1 1049 . 1 1 93 93 ASP H H 1 7.222 0.020 . 1 . . . . 131 ASP H . 16164 1 1050 . 1 1 93 93 ASP HA H 1 4.122 0.020 . 1 . . . . 131 ASP HA . 16164 1 1051 . 1 1 93 93 ASP HB2 H 1 2.546 0.020 . 2 . . . . 131 ASP HB2 . 16164 1 1052 . 1 1 93 93 ASP HB3 H 1 2.431 0.020 . 2 . . . . 131 ASP HB3 . 16164 1 1053 . 1 1 93 93 ASP C C 13 174.890 0.400 . 1 . . . . 131 ASP C . 16164 1 1054 . 1 1 93 93 ASP CA C 13 50.249 0.400 . 1 . . . . 131 ASP CA . 16164 1 1055 . 1 1 93 93 ASP CB C 13 37.750 0.400 . 1 . . . . 131 ASP CB . 16164 1 1056 . 1 1 93 93 ASP N N 15 111.487 0.400 . 1 . . . . 131 ASP N . 16164 1 1057 . 1 1 94 94 GLY H H 1 7.199 0.020 . 1 . . . . 132 GLY H . 16164 1 1058 . 1 1 94 94 GLY HA2 H 1 3.951 0.020 . 2 . . . . 132 GLY HA2 . 16164 1 1059 . 1 1 94 94 GLY HA3 H 1 3.324 0.020 . 2 . . . . 132 GLY HA3 . 16164 1 1060 . 1 1 94 94 GLY C C 13 169.773 0.400 . 1 . . . . 132 GLY C . 16164 1 1061 . 1 1 94 94 GLY CA C 13 44.625 0.400 . 1 . . . . 132 GLY CA . 16164 1 1062 . 1 1 94 94 GLY N N 15 106.932 0.400 . 1 . . . . 132 GLY N . 16164 1 1063 . 1 1 95 95 LYS H H 1 7.215 0.020 . 1 . . . . 133 LYS H . 16164 1 1064 . 1 1 95 95 LYS HA H 1 4.513 0.020 . 1 . . . . 133 LYS HA . 16164 1 1065 . 1 1 95 95 LYS HB2 H 1 1.537 0.020 . 2 . . . . 133 LYS HB2 . 16164 1 1066 . 1 1 95 95 LYS HB3 H 1 1.247 0.020 . 2 . . . . 133 LYS HB3 . 16164 1 1067 . 1 1 95 95 LYS HD2 H 1 1.867 0.020 . 2 . . . . 133 LYS HD2 . 16164 1 1068 . 1 1 95 95 LYS HD3 H 1 1.867 0.020 . 2 . . . . 133 LYS HD3 . 16164 1 1069 . 1 1 95 95 LYS HE2 H 1 2.771 0.020 . 2 . . . . 133 LYS HE2 . 16164 1 1070 . 1 1 95 95 LYS HE3 H 1 2.771 0.020 . 2 . . . . 133 LYS HE3 . 16164 1 1071 . 1 1 95 95 LYS HG2 H 1 0.647 0.020 . 2 . . . . 133 LYS HG2 . 16164 1 1072 . 1 1 95 95 LYS HG3 H 1 0.492 0.020 . 2 . . . . 133 LYS HG3 . 16164 1 1073 . 1 1 95 95 LYS C C 13 172.108 0.400 . 1 . . . . 133 LYS C . 16164 1 1074 . 1 1 95 95 LYS CA C 13 51.512 0.400 . 1 . . . . 133 LYS CA . 16164 1 1075 . 1 1 95 95 LYS CB C 13 34.000 0.400 . 1 . . . . 133 LYS CB . 16164 1 1076 . 1 1 95 95 LYS N N 15 115.749 0.400 . 1 . . . . 133 LYS N . 16164 1 1077 . 1 1 96 96 GLU H H 1 9.230 0.020 . 1 . . . . 134 GLU H . 16164 1 1078 . 1 1 96 96 GLU HA H 1 4.352 0.020 . 1 . . . . 134 GLU HA . 16164 1 1079 . 1 1 96 96 GLU HB2 H 1 1.781 0.020 . 2 . . . . 134 GLU HB2 . 16164 1 1080 . 1 1 96 96 GLU HB3 H 1 1.781 0.020 . 2 . . . . 134 GLU HB3 . 16164 1 1081 . 1 1 96 96 GLU HG2 H 1 2.138 0.020 . 2 . . . . 134 GLU HG2 . 16164 1 1082 . 1 1 96 96 GLU HG3 H 1 2.138 0.020 . 2 . . . . 134 GLU HG3 . 16164 1 1083 . 1 1 96 96 GLU C C 13 175.219 0.400 . 1 . . . . 134 GLU C . 16164 1 1084 . 1 1 96 96 GLU CA C 13 55.874 0.400 . 1 . . . . 134 GLU CA . 16164 1 1085 . 1 1 96 96 GLU CB C 13 27.126 0.400 . 1 . . . . 134 GLU CB . 16164 1 1086 . 1 1 96 96 GLU CG C 13 34.000 0.400 . 1 . . . . 134 GLU CG . 16164 1 1087 . 1 1 96 96 GLU N N 15 128.571 0.400 . 1 . . . . 134 GLU N . 16164 1 1088 . 1 1 97 97 GLY H H 1 10.677 0.020 . 1 . . . . 135 GLY H . 16164 1 1089 . 1 1 97 97 GLY HA2 H 1 4.037 0.020 . 2 . . . . 135 GLY HA2 . 16164 1 1090 . 1 1 97 97 GLY HA3 H 1 3.717 0.020 . 2 . . . . 135 GLY HA3 . 16164 1 1091 . 1 1 97 97 GLY C C 13 171.567 0.400 . 1 . . . . 135 GLY C . 16164 1 1092 . 1 1 97 97 GLY CA C 13 41.500 0.400 . 1 . . . . 135 GLY CA . 16164 1 1093 . 1 1 97 97 GLY N N 15 117.011 0.400 . 1 . . . . 135 GLY N . 16164 1 1094 . 1 1 98 98 GLY H H 1 8.442 0.020 . 1 . . . . 136 GLY H . 16164 1 1095 . 1 1 98 98 GLY HA2 H 1 4.195 0.020 . 2 . . . . 136 GLY HA2 . 16164 1 1096 . 1 1 98 98 GLY HA3 H 1 4.195 0.020 . 2 . . . . 136 GLY HA3 . 16164 1 1097 . 1 1 98 98 GLY C C 13 170.299 0.400 . 1 . . . . 136 GLY C . 16164 1 1098 . 1 1 98 98 GLY CA C 13 40.875 0.400 . 1 . . . . 136 GLY CA . 16164 1 1099 . 1 1 98 98 GLY N N 15 109.494 0.400 . 1 . . . . 136 GLY N . 16164 1 1100 . 1 1 99 99 SER H H 1 8.701 0.020 . 1 . . . . 137 SER H . 16164 1 1101 . 1 1 99 99 SER HA H 1 4.639 0.020 . 1 . . . . 137 SER HA . 16164 1 1102 . 1 1 99 99 SER HB2 H 1 3.591 0.020 . 2 . . . . 137 SER HB2 . 16164 1 1103 . 1 1 99 99 SER HB3 H 1 3.540 0.020 . 2 . . . . 137 SER HB3 . 16164 1 1104 . 1 1 99 99 SER C C 13 170.630 0.400 . 1 . . . . 137 SER C . 16164 1 1105 . 1 1 99 99 SER CA C 13 54.624 0.400 . 1 . . . . 137 SER CA . 16164 1 1106 . 1 1 99 99 SER CB C 13 62.748 0.400 . 1 . . . . 137 SER CB . 16164 1 1107 . 1 1 99 99 SER N N 15 114.685 0.400 . 1 . . . . 137 SER N . 16164 1 1108 . 1 1 100 100 ASP H H 1 9.117 0.020 . 1 . . . . 138 ASP H . 16164 1 1109 . 1 1 100 100 ASP HA H 1 3.965 0.020 . 1 . . . . 138 ASP HA . 16164 1 1110 . 1 1 100 100 ASP HB2 H 1 2.723 0.020 . 2 . . . . 138 ASP HB2 . 16164 1 1111 . 1 1 100 100 ASP HB3 H 1 2.607 0.020 . 2 . . . . 138 ASP HB3 . 16164 1 1112 . 1 1 100 100 ASP C C 13 175.540 0.400 . 1 . . . . 138 ASP C . 16164 1 1113 . 1 1 100 100 ASP CA C 13 54.624 0.400 . 1 . . . . 138 ASP CA . 16164 1 1114 . 1 1 100 100 ASP CB C 13 36.500 0.400 . 1 . . . . 138 ASP CB . 16164 1 1115 . 1 1 100 100 ASP N N 15 120.777 0.400 . 1 . . . . 138 ASP N . 16164 1 1116 . 1 1 101 101 ASN H H 1 8.667 0.020 . 1 . . . . 139 ASN H . 16164 1 1117 . 1 1 101 101 ASN HA H 1 4.333 0.020 . 1 . . . . 139 ASN HA . 16164 1 1118 . 1 1 101 101 ASN HB2 H 1 2.660 0.020 . 2 . . . . 139 ASN HB2 . 16164 1 1119 . 1 1 101 101 ASN HB3 H 1 2.660 0.020 . 2 . . . . 139 ASN HB3 . 16164 1 1120 . 1 1 101 101 ASN HD21 H 1 7.558 0.020 . 2 . . . . 139 ASN HD21 . 16164 1 1121 . 1 1 101 101 ASN HD22 H 1 6.837 0.020 . 2 . . . . 139 ASN HD22 . 16164 1 1122 . 1 1 101 101 ASN CA C 13 53.999 0.400 . 1 . . . . 139 ASN CA . 16164 1 1123 . 1 1 101 101 ASN CB C 13 34.625 0.400 . 1 . . . . 139 ASN CB . 16164 1 1124 . 1 1 101 101 ASN N N 15 121.930 0.400 . 1 . . . . 139 ASN N . 16164 1 1125 . 1 1 101 101 ASN ND2 N 15 112.253 0.400 . 1 . . . . 139 ASN ND2 . 16164 1 1126 . 1 1 102 102 ASP H H 1 7.714 0.020 . 1 . . . . 140 ASP H . 16164 1 1127 . 1 1 102 102 ASP HA H 1 4.037 0.020 . 1 . . . . 140 ASP HA . 16164 1 1128 . 1 1 102 102 ASP HB2 H 1 2.860 0.020 . 2 . . . . 140 ASP HB2 . 16164 1 1129 . 1 1 102 102 ASP HB3 H 1 2.706 0.020 . 2 . . . . 140 ASP HB3 . 16164 1 1130 . 1 1 102 102 ASP C C 13 172.807 0.400 . 1 . . . . 140 ASP C . 16164 1 1131 . 1 1 102 102 ASP CA C 13 53.374 0.400 . 1 . . . . 140 ASP CA . 16164 1 1132 . 1 1 102 102 ASP CB C 13 37.125 0.400 . 1 . . . . 140 ASP CB . 16164 1 1133 . 1 1 102 102 ASP N N 15 118.011 0.400 . 1 . . . . 140 ASP N . 16164 1 1134 . 1 1 103 103 ALA H H 1 7.060 0.020 . 1 . . . . 141 ALA H . 16164 1 1135 . 1 1 103 103 ALA HA H 1 3.353 0.020 . 1 . . . . 141 ALA HA . 16164 1 1136 . 1 1 103 103 ALA HB1 H 1 1.169 0.020 . 1 . . . . 141 ALA HB . 16164 1 1137 . 1 1 103 103 ALA HB2 H 1 1.169 0.020 . 1 . . . . 141 ALA HB . 16164 1 1138 . 1 1 103 103 ALA HB3 H 1 1.169 0.020 . 1 . . . . 141 ALA HB . 16164 1 1139 . 1 1 103 103 ALA C C 13 172.233 0.400 . 1 . . . . 141 ALA C . 16164 1 1140 . 1 1 103 103 ALA CA C 13 49.624 0.400 . 1 . . . . 141 ALA CA . 16164 1 1141 . 1 1 103 103 ALA CB C 13 16.502 0.400 . 1 . . . . 141 ALA CB . 16164 1 1142 . 1 1 103 103 ALA N N 15 125.777 0.400 . 1 . . . . 141 ALA N . 16164 1 1143 . 1 1 104 104 ASP H H 1 7.973 0.020 . 1 . . . . 142 ASP H . 16164 1 1144 . 1 1 104 104 ASP HA H 1 4.420 0.020 . 1 . . . . 142 ASP HA . 16164 1 1145 . 1 1 104 104 ASP HB2 H 1 2.646 0.020 . 2 . . . . 142 ASP HB2 . 16164 1 1146 . 1 1 104 104 ASP HB3 H 1 2.293 0.020 . 2 . . . . 142 ASP HB3 . 16164 1 1147 . 1 1 104 104 ASP C C 13 174.188 0.400 . 1 . . . . 142 ASP C . 16164 1 1148 . 1 1 104 104 ASP CA C 13 52.124 0.400 . 1 . . . . 142 ASP CA . 16164 1 1149 . 1 1 104 104 ASP CB C 13 37.125 0.400 . 1 . . . . 142 ASP CB . 16164 1 1150 . 1 1 104 104 ASP N N 15 122.965 0.400 . 1 . . . . 142 ASP N . 16164 1 1151 . 1 1 105 105 ILE H H 1 8.534 0.020 . 1 . . . . 143 ILE H . 16164 1 1152 . 1 1 105 105 ILE HA H 1 4.060 0.020 . 1 . . . . 143 ILE HA . 16164 1 1153 . 1 1 105 105 ILE HB H 1 1.754 0.020 . 1 . . . . 143 ILE HB . 16164 1 1154 . 1 1 105 105 ILE HD11 H 1 0.756 0.020 . 1 . . . . 143 ILE HD1 . 16164 1 1155 . 1 1 105 105 ILE HD12 H 1 0.756 0.020 . 1 . . . . 143 ILE HD1 . 16164 1 1156 . 1 1 105 105 ILE HD13 H 1 0.756 0.020 . 1 . . . . 143 ILE HD1 . 16164 1 1157 . 1 1 105 105 ILE HG12 H 1 1.591 0.020 . 2 . . . . 143 ILE HG12 . 16164 1 1158 . 1 1 105 105 ILE HG13 H 1 1.591 0.020 . 2 . . . . 143 ILE HG13 . 16164 1 1159 . 1 1 105 105 ILE HG21 H 1 1.132 0.020 . 1 . . . . 143 ILE HG2 . 16164 1 1160 . 1 1 105 105 ILE HG22 H 1 1.132 0.020 . 1 . . . . 143 ILE HG2 . 16164 1 1161 . 1 1 105 105 ILE HG23 H 1 1.132 0.020 . 1 . . . . 143 ILE HG2 . 16164 1 1162 . 1 1 105 105 ILE C C 13 173.235 0.400 . 1 . . . . 143 ILE C . 16164 1 1163 . 1 1 105 105 ILE CA C 13 58.374 0.400 . 1 . . . . 143 ILE CA . 16164 1 1164 . 1 1 105 105 ILE CB C 13 39.123 0.400 . 1 . . . . 143 ILE CB . 16164 1 1165 . 1 1 105 105 ILE CD1 C 13 12.127 0.400 . 1 . . . . 143 ILE CD1 . 16164 1 1166 . 1 1 105 105 ILE CG2 C 13 14.002 0.400 . 1 . . . . 143 ILE CG2 . 16164 1 1167 . 1 1 105 105 ILE N N 15 124.757 0.400 . 1 . . . . 143 ILE N . 16164 1 1168 . 1 1 106 106 GLY H H 1 8.288 0.020 . 1 . . . . 144 GLY H . 16164 1 1169 . 1 1 106 106 GLY HA2 H 1 4.764 0.020 . 2 . . . . 144 GLY HA2 . 16164 1 1170 . 1 1 106 106 GLY HA3 H 1 4.764 0.020 . 2 . . . . 144 GLY HA3 . 16164 1 1171 . 1 1 106 106 GLY C C 13 171.321 0.400 . 1 . . . . 144 GLY C . 16164 1 1172 . 1 1 106 106 GLY CA C 13 40.250 0.400 . 1 . . . . 144 GLY CA . 16164 1 1173 . 1 1 106 106 GLY N N 15 110.895 0.400 . 1 . . . . 144 GLY N . 16164 1 1174 . 1 1 107 107 ASN H H 1 8.577 0.020 . 1 . . . . 145 ASN H . 16164 1 1175 . 1 1 107 107 ASN HA H 1 4.268 0.020 . 1 . . . . 145 ASN HA . 16164 1 1176 . 1 1 107 107 ASN HB2 H 1 2.887 0.020 . 2 . . . . 145 ASN HB2 . 16164 1 1177 . 1 1 107 107 ASN HB3 H 1 2.313 0.020 . 2 . . . . 145 ASN HB3 . 16164 1 1178 . 1 1 107 107 ASN HD21 H 1 7.591 0.020 . 2 . . . . 145 ASN HD21 . 16164 1 1179 . 1 1 107 107 ASN HD22 H 1 6.438 0.020 . 2 . . . . 145 ASN HD22 . 16164 1 1180 . 1 1 107 107 ASN C C 13 171.757 0.400 . 1 . . . . 145 ASN C . 16164 1 1181 . 1 1 107 107 ASN CA C 13 52.124 0.400 . 1 . . . . 145 ASN CA . 16164 1 1182 . 1 1 107 107 ASN CB C 13 34.625 0.400 . 1 . . . . 145 ASN CB . 16164 1 1183 . 1 1 107 107 ASN N N 15 118.042 0.400 . 1 . . . . 145 ASN N . 16164 1 1184 . 1 1 107 107 ASN ND2 N 15 117.358 0.400 . 1 . . . . 145 ASN ND2 . 16164 1 1185 . 1 1 108 108 TRP H H 1 6.822 0.020 . 1 . . . . 146 TRP H . 16164 1 1186 . 1 1 108 108 TRP HA H 1 4.513 0.020 . 1 . . . . 146 TRP HA . 16164 1 1187 . 1 1 108 108 TRP HB2 H 1 3.231 0.020 . 2 . . . . 146 TRP HB2 . 16164 1 1188 . 1 1 108 108 TRP HB3 H 1 3.080 0.020 . 2 . . . . 146 TRP HB3 . 16164 1 1189 . 1 1 108 108 TRP HD1 H 1 6.916 0.020 . 1 . . . . 146 TRP HD1 . 16164 1 1190 . 1 1 108 108 TRP HE1 H 1 10.119 0.020 . 1 . . . . 146 TRP HE1 . 16164 1 1191 . 1 1 108 108 TRP HE3 H 1 7.692 0.020 . 1 . . . . 146 TRP HE3 . 16164 1 1192 . 1 1 108 108 TRP HH2 H 1 6.230 0.020 . 1 . . . . 146 TRP HH2 . 16164 1 1193 . 1 1 108 108 TRP HZ2 H 1 6.994 0.020 . 1 . . . . 146 TRP HZ2 . 16164 1 1194 . 1 1 108 108 TRP HZ3 H 1 6.633 0.020 . 1 . . . . 146 TRP HZ3 . 16164 1 1195 . 1 1 108 108 TRP C C 13 172.665 0.400 . 1 . . . . 146 TRP C . 16164 1 1196 . 1 1 108 108 TRP CA C 13 54.624 0.400 . 1 . . . . 146 TRP CA . 16164 1 1197 . 1 1 108 108 TRP CB C 13 25.876 0.400 . 1 . . . . 146 TRP CB . 16164 1 1198 . 1 1 108 108 TRP N N 15 116.756 0.400 . 1 . . . . 146 TRP N . 16164 1 1199 . 1 1 108 108 TRP NE1 N 15 132.744 0.400 . 1 . . . . 146 TRP NE1 . 16164 1 1200 . 1 1 109 109 ASP H H 1 7.344 0.020 . 1 . . . . 147 ASP H . 16164 1 1201 . 1 1 109 109 ASP HA H 1 4.655 0.020 . 1 . . . . 147 ASP HA . 16164 1 1202 . 1 1 109 109 ASP HB2 H 1 2.594 0.020 . 2 . . . . 147 ASP HB2 . 16164 1 1203 . 1 1 109 109 ASP HB3 H 1 2.349 0.020 . 2 . . . . 147 ASP HB3 . 16164 1 1204 . 1 1 109 109 ASP C C 13 172.193 0.400 . 1 . . . . 147 ASP C . 16164 1 1205 . 1 1 109 109 ASP CA C 13 51.499 0.400 . 1 . . . . 147 ASP CA . 16164 1 1206 . 1 1 109 109 ASP CB C 13 39.000 0.400 . 1 . . . . 147 ASP CB . 16164 1 1207 . 1 1 109 109 ASP N N 15 121.461 0.400 . 1 . . . . 147 ASP N . 16164 1 1208 . 1 1 110 110 ASN H H 1 7.726 0.020 . 1 . . . . 148 ASN H . 16164 1 1209 . 1 1 110 110 ASN HA H 1 4.310 0.020 . 1 . . . . 148 ASN HA . 16164 1 1210 . 1 1 110 110 ASN HB2 H 1 2.580 0.020 . 2 . . . . 148 ASN HB2 . 16164 1 1211 . 1 1 110 110 ASN HB3 H 1 2.483 0.020 . 2 . . . . 148 ASN HB3 . 16164 1 1212 . 1 1 110 110 ASN HD21 H 1 7.440 0.020 . 2 . . . . 148 ASN HD21 . 16164 1 1213 . 1 1 110 110 ASN HD22 H 1 6.648 0.020 . 2 . . . . 148 ASN HD22 . 16164 1 1214 . 1 1 110 110 ASN C C 13 176.870 0.400 . 1 . . . . 148 ASN C . 16164 1 1215 . 1 1 110 110 ASN CA C 13 52.124 0.400 . 1 . . . . 148 ASN CA . 16164 1 1216 . 1 1 110 110 ASN CB C 13 37.750 0.400 . 1 . . . . 148 ASN CB . 16164 1 1217 . 1 1 110 110 ASN N N 15 124.030 0.400 . 1 . . . . 148 ASN N . 16164 1 1218 . 1 1 110 110 ASN ND2 N 15 112.263 0.400 . 1 . . . . 148 ASN ND2 . 16164 1 stop_ save_