data_17611 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17611 _Entry.Title ; Solution NMR structure of protein Rmet_5065 from Ralstonia metallidurans. Northeast Structural Genomics Consortium Target CrR115. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-04-29 _Entry.Accession_date 2011-04-29 _Entry.Last_release_date 2011-06-01 _Entry.Original_release_date 2011-06-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Theresa Ramelot . A. . 17611 2 Yunhuang Yang . . . 17611 3 Dongyan Wang . . . 17611 4 Colleen Ciccosanti . . . 17611 5 Haleema Janjua . . . 17611 6 Rajesh Nair . . . 17611 7 Thomas Acton . B. . 17611 8 Rong Xiao . . . 17611 9 John Everett . K. . 17611 10 Gaetano Montelione . T. . 17611 11 Michael Kennedy . A. . 17611 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 1 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 17611 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AHSA1 . 17611 COG3832 . 17611 PF08327 . 17611 'start domain' . 17611 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17611 spectral_peak_list 4 17611 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 624 17611 '15N chemical shifts' 159 17611 '1H chemical shifts' 958 17611 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 1 . . 2011-06-01 2011-04-29 original author . 17611 stop_ save_ ############### # Citations # ############### save_AHSA1-like_protein_Rmet_5065_from_Ralstonia_metallidurans _Citation.Sf_category citations _Citation.Sf_framecode AHSA1-like_protein_Rmet_5065_from_Ralstonia_metallidurans _Citation.Entry_ID 17611 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Title: Solution NMR structure of protein Rmet_5065 from Ralstonia metallidurans. Northeast Structural Genomics Consortium Target CrR115. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Theresa Ramelot . A. . 17611 1 2 Yunhuang Yang . . . 17611 1 3 John Cort . R. . 17611 1 4 Dongyan Wang . . . 17611 1 5 Colleen Ciccosanti . . . 17611 1 6 Haleema Janjua . . . 17611 1 7 Nair Rajesh . . . 17611 1 8 Thomas Acton . B. . 17611 1 9 Rong Xiao . . . 17611 1 10 John Everett . K. . 17611 1 11 Gaetano Montelione . T. . 17611 1 12 Michael Kennedy . A. . 17611 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17611 _Assembly.ID 1 _Assembly.Name Rmet_5065 _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 'protein Rmet_5065' 1 $Rmet_5065 A . yes native no no . . . 17611 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rmet_5065 _Entity.Sf_category entity _Entity.Sf_framecode Rmet_5065 _Entity.Entry_ID 17611 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rmet_5065 _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 ; MNITVETTVAAPVGKVWRAY TTPEDIKQWNAASDDWHTTA ATVDLREGGAFSSRMEAKDG SMGFDFAGTYTKVVENKRIE YAFGDRTAKVEFLEAPQGVT VRVSFVAETEYPVEQQQQGW QAILNNFKRHVESHLEHHHH HH ; _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 142 _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 16136.968 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LCG . "Solution Nmr Structure Of Protein Rmet_5065 From Ralstonia Metallidurans, Northeast Structural Genomics Consortium Target Crr11" . . . . . 100.00 142 100.00 100.00 5.74e-100 . . . . 17611 1 2 no PDB 2N4A . "Ec-nmr Structure Of Ralstonia Metallidurans Rmet_5065 Determined By Combining Evolutionary Couplings (ec) And Sparse Nmr Data. " . . . . . 100.00 142 100.00 100.00 5.74e-100 . . . . 17611 1 3 no PDB 2N4B . "Ec-nmr Structure Of Ralstonia Metallidurans Rmet_5065 Determined By Combining Evolutionary Couplings (ec) And Sparse Nmr Data. " . . . . . 100.00 142 100.00 100.00 5.74e-100 . . . . 17611 1 4 no GB ABF11927 . "conserved hypothetical protein [Cupriavidus metallidurans CH34]" . . . . . 94.37 134 100.00 100.00 5.70e-93 . . . . 17611 1 5 no GB EKZ95695 . "hypothetical protein D769_29017 [Cupriavidus sp. HMR-1]" . . . . . 94.37 134 97.01 99.25 5.60e-91 . . . . 17611 1 6 no REF WP_008651999 . "hypothetical protein [Cupriavidus sp. HMR-1]" . . . . . 94.37 134 97.01 99.25 5.60e-91 . . . . 17611 1 7 no REF WP_011519477 . "ATPase [Cupriavidus metallidurans]" . . . . . 94.37 134 100.00 100.00 5.70e-93 . . . . 17611 1 8 no REF WP_017515048 . "MULTISPECIES: ATPase [Cupriavidus]" . . . . . 94.37 134 97.76 98.51 2.39e-90 . . . . 17611 1 9 no REF WP_029306526 . "ATPase [Cupriavidus metallidurans]" . . . . . 94.37 134 97.01 97.76 9.16e-90 . . . . 17611 1 10 no REF WP_035883904 . "ATPase [Cupriavidus metallidurans]" . . . . . 94.37 134 97.76 99.25 1.59e-91 . . . . 17611 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17611 1 2 . ASN . 17611 1 3 . ILE . 17611 1 4 . THR . 17611 1 5 . VAL . 17611 1 6 . GLU . 17611 1 7 . THR . 17611 1 8 . THR . 17611 1 9 . VAL . 17611 1 10 . ALA . 17611 1 11 . ALA . 17611 1 12 . PRO . 17611 1 13 . VAL . 17611 1 14 . GLY . 17611 1 15 . LYS . 17611 1 16 . VAL . 17611 1 17 . TRP . 17611 1 18 . ARG . 17611 1 19 . ALA . 17611 1 20 . TYR . 17611 1 21 . THR . 17611 1 22 . THR . 17611 1 23 . PRO . 17611 1 24 . GLU . 17611 1 25 . ASP . 17611 1 26 . ILE . 17611 1 27 . LYS . 17611 1 28 . GLN . 17611 1 29 . TRP . 17611 1 30 . ASN . 17611 1 31 . ALA . 17611 1 32 . ALA . 17611 1 33 . SER . 17611 1 34 . ASP . 17611 1 35 . ASP . 17611 1 36 . TRP . 17611 1 37 . HIS . 17611 1 38 . THR . 17611 1 39 . THR . 17611 1 40 . ALA . 17611 1 41 . ALA . 17611 1 42 . THR . 17611 1 43 . VAL . 17611 1 44 . ASP . 17611 1 45 . LEU . 17611 1 46 . ARG . 17611 1 47 . GLU . 17611 1 48 . GLY . 17611 1 49 . GLY . 17611 1 50 . ALA . 17611 1 51 . PHE . 17611 1 52 . SER . 17611 1 53 . SER . 17611 1 54 . ARG . 17611 1 55 . MET . 17611 1 56 . GLU . 17611 1 57 . ALA . 17611 1 58 . LYS . 17611 1 59 . ASP . 17611 1 60 . GLY . 17611 1 61 . SER . 17611 1 62 . MET . 17611 1 63 . GLY . 17611 1 64 . PHE . 17611 1 65 . ASP . 17611 1 66 . PHE . 17611 1 67 . ALA . 17611 1 68 . GLY . 17611 1 69 . THR . 17611 1 70 . TYR . 17611 1 71 . THR . 17611 1 72 . LYS . 17611 1 73 . VAL . 17611 1 74 . VAL . 17611 1 75 . GLU . 17611 1 76 . ASN . 17611 1 77 . LYS . 17611 1 78 . ARG . 17611 1 79 . ILE . 17611 1 80 . GLU . 17611 1 81 . TYR . 17611 1 82 . ALA . 17611 1 83 . PHE . 17611 1 84 . GLY . 17611 1 85 . ASP . 17611 1 86 . ARG . 17611 1 87 . THR . 17611 1 88 . ALA . 17611 1 89 . LYS . 17611 1 90 . VAL . 17611 1 91 . GLU . 17611 1 92 . PHE . 17611 1 93 . LEU . 17611 1 94 . GLU . 17611 1 95 . ALA . 17611 1 96 . PRO . 17611 1 97 . GLN . 17611 1 98 . GLY . 17611 1 99 . VAL . 17611 1 100 . THR . 17611 1 101 . VAL . 17611 1 102 . ARG . 17611 1 103 . VAL . 17611 1 104 . SER . 17611 1 105 . PHE . 17611 1 106 . VAL . 17611 1 107 . ALA . 17611 1 108 . GLU . 17611 1 109 . THR . 17611 1 110 . GLU . 17611 1 111 . TYR . 17611 1 112 . PRO . 17611 1 113 . VAL . 17611 1 114 . GLU . 17611 1 115 . GLN . 17611 1 116 . GLN . 17611 1 117 . GLN . 17611 1 118 . GLN . 17611 1 119 . GLY . 17611 1 120 . TRP . 17611 1 121 . GLN . 17611 1 122 . ALA . 17611 1 123 . ILE . 17611 1 124 . LEU . 17611 1 125 . ASN . 17611 1 126 . ASN . 17611 1 127 . PHE . 17611 1 128 . LYS . 17611 1 129 . ARG . 17611 1 130 . HIS . 17611 1 131 . VAL . 17611 1 132 . GLU . 17611 1 133 . SER . 17611 1 134 . HIS . 17611 1 135 . LEU . 17611 1 136 . GLU . 17611 1 137 . HIS . 17611 1 138 . HIS . 17611 1 139 . HIS . 17611 1 140 . HIS . 17611 1 141 . HIS . 17611 1 142 . HIS . 17611 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 17611 1 . ASN 2 2 17611 1 . ILE 3 3 17611 1 . THR 4 4 17611 1 . VAL 5 5 17611 1 . GLU 6 6 17611 1 . THR 7 7 17611 1 . THR 8 8 17611 1 . VAL 9 9 17611 1 . ALA 10 10 17611 1 . ALA 11 11 17611 1 . PRO 12 12 17611 1 . VAL 13 13 17611 1 . GLY 14 14 17611 1 . LYS 15 15 17611 1 . VAL 16 16 17611 1 . TRP 17 17 17611 1 . ARG 18 18 17611 1 . ALA 19 19 17611 1 . TYR 20 20 17611 1 . THR 21 21 17611 1 . THR 22 22 17611 1 . PRO 23 23 17611 1 . GLU 24 24 17611 1 . ASP 25 25 17611 1 . ILE 26 26 17611 1 . LYS 27 27 17611 1 . GLN 28 28 17611 1 . TRP 29 29 17611 1 . ASN 30 30 17611 1 . ALA 31 31 17611 1 . ALA 32 32 17611 1 . SER 33 33 17611 1 . ASP 34 34 17611 1 . ASP 35 35 17611 1 . TRP 36 36 17611 1 . HIS 37 37 17611 1 . THR 38 38 17611 1 . THR 39 39 17611 1 . ALA 40 40 17611 1 . ALA 41 41 17611 1 . THR 42 42 17611 1 . VAL 43 43 17611 1 . ASP 44 44 17611 1 . LEU 45 45 17611 1 . ARG 46 46 17611 1 . GLU 47 47 17611 1 . GLY 48 48 17611 1 . GLY 49 49 17611 1 . ALA 50 50 17611 1 . PHE 51 51 17611 1 . SER 52 52 17611 1 . SER 53 53 17611 1 . ARG 54 54 17611 1 . MET 55 55 17611 1 . GLU 56 56 17611 1 . ALA 57 57 17611 1 . LYS 58 58 17611 1 . ASP 59 59 17611 1 . GLY 60 60 17611 1 . SER 61 61 17611 1 . MET 62 62 17611 1 . GLY 63 63 17611 1 . PHE 64 64 17611 1 . ASP 65 65 17611 1 . PHE 66 66 17611 1 . ALA 67 67 17611 1 . GLY 68 68 17611 1 . THR 69 69 17611 1 . TYR 70 70 17611 1 . THR 71 71 17611 1 . LYS 72 72 17611 1 . VAL 73 73 17611 1 . VAL 74 74 17611 1 . GLU 75 75 17611 1 . ASN 76 76 17611 1 . LYS 77 77 17611 1 . ARG 78 78 17611 1 . ILE 79 79 17611 1 . GLU 80 80 17611 1 . TYR 81 81 17611 1 . ALA 82 82 17611 1 . PHE 83 83 17611 1 . GLY 84 84 17611 1 . ASP 85 85 17611 1 . ARG 86 86 17611 1 . THR 87 87 17611 1 . ALA 88 88 17611 1 . LYS 89 89 17611 1 . VAL 90 90 17611 1 . GLU 91 91 17611 1 . PHE 92 92 17611 1 . LEU 93 93 17611 1 . GLU 94 94 17611 1 . ALA 95 95 17611 1 . PRO 96 96 17611 1 . GLN 97 97 17611 1 . GLY 98 98 17611 1 . VAL 99 99 17611 1 . THR 100 100 17611 1 . VAL 101 101 17611 1 . ARG 102 102 17611 1 . VAL 103 103 17611 1 . SER 104 104 17611 1 . PHE 105 105 17611 1 . VAL 106 106 17611 1 . ALA 107 107 17611 1 . GLU 108 108 17611 1 . THR 109 109 17611 1 . GLU 110 110 17611 1 . TYR 111 111 17611 1 . PRO 112 112 17611 1 . VAL 113 113 17611 1 . GLU 114 114 17611 1 . GLN 115 115 17611 1 . GLN 116 116 17611 1 . GLN 117 117 17611 1 . GLN 118 118 17611 1 . GLY 119 119 17611 1 . TRP 120 120 17611 1 . GLN 121 121 17611 1 . ALA 122 122 17611 1 . ILE 123 123 17611 1 . LEU 124 124 17611 1 . ASN 125 125 17611 1 . ASN 126 126 17611 1 . PHE 127 127 17611 1 . LYS 128 128 17611 1 . ARG 129 129 17611 1 . HIS 130 130 17611 1 . VAL 131 131 17611 1 . GLU 132 132 17611 1 . SER 133 133 17611 1 . HIS 134 134 17611 1 . LEU 135 135 17611 1 . GLU 136 136 17611 1 . HIS 137 137 17611 1 . HIS 138 138 17611 1 . HIS 139 139 17611 1 . HIS 140 140 17611 1 . HIS 141 141 17611 1 . HIS 142 142 17611 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 17611 _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 $Rmet_5065 . 119219 organism . 'Ralstonia metallidurans' 'Ralstonia metallidurans' . . Bacteria . Ralstonia metallidurans . . . . . . . . . . . . . . . . . . . . . 17611 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 17611 _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 $Rmet_5065 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3) + Magic' . . . . . . . . . . . . . . . pET21 . . . . . . 17611 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NC_sample _Sample.Sf_category sample _Sample.Sf_framecode NC_sample _Sample.Entry_ID 17611 _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 protein '[U-100% 13C; U-100% 15N]' . . 1 $Rmet_5065 . . 1.3 . . mM 0.1 . . . 17611 1 2 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 17611 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 17611 1 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 17611 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 17611 1 6 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 17611 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17611 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17611 1 stop_ save_ save_NC5_sample _Sample.Sf_category sample _Sample.Sf_framecode NC5_sample _Sample.Entry_ID 17611 _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 protein 'U-100% 15N and 5% 13C biosynthetically directed' . . 1 $Rmet_5065 . . 1.1 . . mM 0.1 . . . 17611 2 2 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 17611 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 17611 2 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 17611 2 5 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 17611 2 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 17611 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17611 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17611 2 stop_ save_ save_NC_sample_in_D2O _Sample.Sf_category sample _Sample.Sf_framecode NC_sample_in_D2O _Sample.Entry_ID 17611 _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 protein '[U-100% 13C; U-100% 15N]' . . 1 $Rmet_5065 . . 1.0 . . mM 0.1 . . . 17611 3 2 MES 'natural abundance' . . . . . . 20 . . mM 1 . . . 17611 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 5 . . . 17611 3 4 'calcium chloride' 'natural abundance' . . . . . . 5 . . mM 0.25 . . . 17611 3 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % 0.001 . . . 17611 3 6 DTT 'natural abundance' . . . . . . 10 . . mM 0.5 . . . 17611 3 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17611 3 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17611 3 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 17611 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 0.02 M 17611 1 pH 6.5 0.1 pH 17611 1 pressure 1 . atm 17611 1 temperature 298 1 K 17611 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17611 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2008 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17611 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17611 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 17611 _Software.ID 2 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17611 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17611 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17611 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17611 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17611 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 17611 _Software.ID 4 _Software.Name AutoStruct _Software.Version 2.2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 17611 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17611 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17611 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version 2.25 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17611 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17611 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17611 _Software.ID 6 _Software.Name CNS _Software.Version 1.2 _Software.Details 'water refinement' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17611 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17611 6 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17611 _Software.ID 7 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17611 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17611 7 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 17611 _Software.ID 8 _Software.Name PSVS _Software.Version 1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 17611 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17611 8 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 17611 _Software.ID 9 _Software.Name AutoAssign _Software.Version 2.30 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 17611 9 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17611 9 stop_ save_ save_PDBSTAT _Software.Sf_category software _Software.Sf_framecode PDBSTAT _Software.Entry_ID 17611 _Software.ID 10 _Software.Name PDBStat _Software.Version 5.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(PdbStat)-Roberto Tejero and Gaetano T. Montelione' . . 17611 10 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17611 10 stop_ save_ save_PINE_Server _Software.Sf_category software _Software.Sf_framecode PINE_Server _Software.Entry_ID 17611 _Software.ID 11 _Software.Name PINE _Software.Version 1.0 _Software.Details 'chemical shift autoassignment server' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 17611 11 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift autoassignment' 17611 11 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17611 _Software.ID 12 _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' . . 17611 12 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17611 12 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 17611 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17611 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 17611 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 17611 1 2 spectrometer_2 Bruker 'Avance III' . 850 . . . 17611 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 17611 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17611 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17611 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17611 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17611 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17611 1 6 '2D 1H-13C HSQC-CT' no . . . . . . . . . . 2 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17611 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17611 1 8 '3D 1H-13C NOESY_aliph' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17611 1 9 '3D HNCO' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17611 1 10 '3D HNCACB' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17611 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17611 1 12 '3D 1H-13C NOESY_arom' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17611 1 13 '3D HN(CO)CA' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17611 1 14 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17611 1 15 '3D C(CCO)NH' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17611 1 16 '3D HCCH-COSY' no . . . . . . . . . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17611 1 17 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17611 1 18 '3D CCH-TOCSY' no . . . . . . . . . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17611 1 19 '4D CC-NOESY' no . . . . . . . . . . 3 $NC_sample_in_D2O isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17611 1 20 '2D 1H-13C HSQC-aromatic' no . . . . . . . . . . 1 $NC_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17611 1 21 '2D 1H-15N hetNOE' no . . . . . . . . . . 2 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17611 1 22 '2D 1H-15N HSQC_His' no . . . . . . . . . . 2 $NC5_sample isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17611 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 17611 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17611 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17611 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17611 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 17611 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17611 1 2 '2D 1H-13C HSQC aliphatic' . . . 17611 1 3 '2D 1H-13C HSQC aromatic' . . . 17611 1 6 '2D 1H-13C HSQC-CT' . . . 17611 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.00 0.02 . 1 . . . A 1 MET HA . 17611 1 2 . 1 1 1 1 MET HB2 H 1 2.15 0.02 . 2 . . . A 1 MET HB2 . 17611 1 3 . 1 1 1 1 MET HB3 H 1 1.99 0.02 . 2 . . . A 1 MET HB3 . 17611 1 4 . 1 1 1 1 MET HG2 H 1 2.47 0.02 . 2 . . . A 1 MET HG2 . 17611 1 5 . 1 1 1 1 MET HG3 H 1 2.44 0.02 . 2 . . . A 1 MET HG3 . 17611 1 6 . 1 1 1 1 MET HE1 H 1 2.06 0.02 . 1 . . . A 1 MET HE1 . 17611 1 7 . 1 1 1 1 MET HE2 H 1 2.06 0.02 . 1 . . . A 1 MET HE2 . 17611 1 8 . 1 1 1 1 MET HE3 H 1 2.06 0.02 . 1 . . . A 1 MET HE3 . 17611 1 9 . 1 1 1 1 MET C C 13 171.7 0.2 . 1 . . . A 1 MET C . 17611 1 10 . 1 1 1 1 MET CA C 13 55.0 0.2 . 1 . . . A 1 MET CA . 17611 1 11 . 1 1 1 1 MET CB C 13 33.2 0.2 . 1 . . . A 1 MET CB . 17611 1 12 . 1 1 1 1 MET CG C 13 30.8 0.2 . 1 . . . A 1 MET CG . 17611 1 13 . 1 1 1 1 MET CE C 13 17.0 0.2 . 1 . . . A 1 MET CE . 17611 1 14 . 1 1 2 2 ASN H H 1 8.87 0.02 . 1 . . . A 2 ASN H . 17611 1 15 . 1 1 2 2 ASN HA H 1 5.21 0.02 . 1 . . . A 2 ASN HA . 17611 1 16 . 1 1 2 2 ASN HB2 H 1 2.49 0.02 . 2 . . . A 2 ASN HB2 . 17611 1 17 . 1 1 2 2 ASN HB3 H 1 2.32 0.02 . 2 . . . A 2 ASN HB3 . 17611 1 18 . 1 1 2 2 ASN HD21 H 1 6.69 0.02 . 1 . . . A 2 ASN HD21 . 17611 1 19 . 1 1 2 2 ASN HD22 H 1 7.20 0.02 . 1 . . . A 2 ASN HD22 . 17611 1 20 . 1 1 2 2 ASN C C 13 174.0 0.2 . 1 . . . A 2 ASN C . 17611 1 21 . 1 1 2 2 ASN CA C 13 52.3 0.2 . 1 . . . A 2 ASN CA . 17611 1 22 . 1 1 2 2 ASN CB C 13 39.9 0.2 . 1 . . . A 2 ASN CB . 17611 1 23 . 1 1 2 2 ASN CG C 13 176.2 0.2 . 1 . . . A 2 ASN CG . 17611 1 24 . 1 1 2 2 ASN N N 15 125.1 0.2 . 1 . . . A 2 ASN N . 17611 1 25 . 1 1 2 2 ASN ND2 N 15 112.3 0.2 . 1 . . . A 2 ASN ND2 . 17611 1 26 . 1 1 3 3 ILE H H 1 8.49 0.02 . 1 . . . A 3 ILE H . 17611 1 27 . 1 1 3 3 ILE HA H 1 3.94 0.02 . 1 . . . A 3 ILE HA . 17611 1 28 . 1 1 3 3 ILE HB H 1 0.23 0.02 . 1 . . . A 3 ILE HB . 17611 1 29 . 1 1 3 3 ILE HG12 H 1 1.08 0.02 . 2 . . . A 3 ILE HG12 . 17611 1 30 . 1 1 3 3 ILE HG13 H 1 0.80 0.02 . 2 . . . A 3 ILE HG13 . 17611 1 31 . 1 1 3 3 ILE HG21 H 1 0.56 0.02 . 1 . . . A 3 ILE HG21 . 17611 1 32 . 1 1 3 3 ILE HG22 H 1 0.56 0.02 . 1 . . . A 3 ILE HG22 . 17611 1 33 . 1 1 3 3 ILE HG23 H 1 0.56 0.02 . 1 . . . A 3 ILE HG23 . 17611 1 34 . 1 1 3 3 ILE HD11 H 1 0.70 0.02 . 1 . . . A 3 ILE HD11 . 17611 1 35 . 1 1 3 3 ILE HD12 H 1 0.70 0.02 . 1 . . . A 3 ILE HD12 . 17611 1 36 . 1 1 3 3 ILE HD13 H 1 0.70 0.02 . 1 . . . A 3 ILE HD13 . 17611 1 37 . 1 1 3 3 ILE C C 13 173.6 0.2 . 1 . . . A 3 ILE C . 17611 1 38 . 1 1 3 3 ILE CA C 13 59.8 0.2 . 1 . . . A 3 ILE CA . 17611 1 39 . 1 1 3 3 ILE CB C 13 38.9 0.2 . 1 . . . A 3 ILE CB . 17611 1 40 . 1 1 3 3 ILE CG1 C 13 27.2 0.2 . 1 . . . A 3 ILE CG1 . 17611 1 41 . 1 1 3 3 ILE CG2 C 13 18.2 0.2 . 1 . . . A 3 ILE CG2 . 17611 1 42 . 1 1 3 3 ILE CD1 C 13 14.5 0.2 . 1 . . . A 3 ILE CD1 . 17611 1 43 . 1 1 3 3 ILE N N 15 124.3 0.2 . 1 . . . A 3 ILE N . 17611 1 44 . 1 1 4 4 THR H H 1 8.12 0.02 . 1 . . . A 4 THR H . 17611 1 45 . 1 1 4 4 THR HA H 1 5.57 0.02 . 1 . . . A 4 THR HA . 17611 1 46 . 1 1 4 4 THR HB H 1 3.71 0.02 . 1 . . . A 4 THR HB . 17611 1 47 . 1 1 4 4 THR HG21 H 1 1.05 0.02 . 1 . . . A 4 THR HG21 . 17611 1 48 . 1 1 4 4 THR HG22 H 1 1.05 0.02 . 1 . . . A 4 THR HG22 . 17611 1 49 . 1 1 4 4 THR HG23 H 1 1.05 0.02 . 1 . . . A 4 THR HG23 . 17611 1 50 . 1 1 4 4 THR C C 13 174.2 0.2 . 1 . . . A 4 THR C . 17611 1 51 . 1 1 4 4 THR CA C 13 61.1 0.2 . 1 . . . A 4 THR CA . 17611 1 52 . 1 1 4 4 THR CB C 13 71.3 0.2 . 1 . . . A 4 THR CB . 17611 1 53 . 1 1 4 4 THR CG2 C 13 21.6 0.2 . 1 . . . A 4 THR CG2 . 17611 1 54 . 1 1 4 4 THR N N 15 120.8 0.2 . 1 . . . A 4 THR N . 17611 1 55 . 1 1 5 5 VAL H H 1 9.20 0.02 . 1 . . . A 5 VAL H . 17611 1 56 . 1 1 5 5 VAL HA H 1 4.71 0.02 . 1 . . . A 5 VAL HA . 17611 1 57 . 1 1 5 5 VAL HB H 1 2.21 0.02 . 1 . . . A 5 VAL HB . 17611 1 58 . 1 1 5 5 VAL HG11 H 1 1.21 0.02 . 1 . . . A 5 VAL HG11 . 17611 1 59 . 1 1 5 5 VAL HG12 H 1 1.21 0.02 . 1 . . . A 5 VAL HG12 . 17611 1 60 . 1 1 5 5 VAL HG13 H 1 1.21 0.02 . 1 . . . A 5 VAL HG13 . 17611 1 61 . 1 1 5 5 VAL HG21 H 1 1.01 0.02 . 1 . . . A 5 VAL HG21 . 17611 1 62 . 1 1 5 5 VAL HG22 H 1 1.01 0.02 . 1 . . . A 5 VAL HG22 . 17611 1 63 . 1 1 5 5 VAL HG23 H 1 1.01 0.02 . 1 . . . A 5 VAL HG23 . 17611 1 64 . 1 1 5 5 VAL C C 13 173.5 0.2 . 1 . . . A 5 VAL C . 17611 1 65 . 1 1 5 5 VAL CA C 13 59.7 0.2 . 1 . . . A 5 VAL CA . 17611 1 66 . 1 1 5 5 VAL CB C 13 35.0 0.2 . 1 . . . A 5 VAL CB . 17611 1 67 . 1 1 5 5 VAL CG1 C 13 24.0 0.2 . 1 . . . A 5 VAL CG1 . 17611 1 68 . 1 1 5 5 VAL CG2 C 13 19.4 0.2 . 1 . . . A 5 VAL CG2 . 17611 1 69 . 1 1 5 5 VAL N N 15 120.5 0.2 . 1 . . . A 5 VAL N . 17611 1 70 . 1 1 6 6 GLU H H 1 8.44 0.02 . 1 . . . A 6 GLU H . 17611 1 71 . 1 1 6 6 GLU HA H 1 5.77 0.02 . 1 . . . A 6 GLU HA . 17611 1 72 . 1 1 6 6 GLU HB2 H 1 1.99 0.02 . 2 . . . A 6 GLU HB2 . 17611 1 73 . 1 1 6 6 GLU HB3 H 1 1.84 0.02 . 2 . . . A 6 GLU HB3 . 17611 1 74 . 1 1 6 6 GLU HG2 H 1 2.12 0.02 . 2 . . . A 6 GLU HG2 . 17611 1 75 . 1 1 6 6 GLU HG3 H 1 1.90 0.02 . 2 . . . A 6 GLU HG3 . 17611 1 76 . 1 1 6 6 GLU C C 13 175.3 0.2 . 1 . . . A 6 GLU C . 17611 1 77 . 1 1 6 6 GLU CA C 13 55.0 0.2 . 1 . . . A 6 GLU CA . 17611 1 78 . 1 1 6 6 GLU CB C 13 34.6 0.2 . 1 . . . A 6 GLU CB . 17611 1 79 . 1 1 6 6 GLU CG C 13 35.3 0.2 . 1 . . . A 6 GLU CG . 17611 1 80 . 1 1 6 6 GLU N N 15 117.5 0.2 . 1 . . . A 6 GLU N . 17611 1 81 . 1 1 7 7 THR H H 1 8.59 0.02 . 1 . . . A 7 THR H . 17611 1 82 . 1 1 7 7 THR HA H 1 4.66 0.02 . 1 . . . A 7 THR HA . 17611 1 83 . 1 1 7 7 THR HB H 1 3.94 0.02 . 1 . . . A 7 THR HB . 17611 1 84 . 1 1 7 7 THR HG1 H 1 5.54 0.02 . 1 . . . A 7 THR HG1 . 17611 1 85 . 1 1 7 7 THR HG21 H 1 1.10 0.02 . 1 . . . A 7 THR HG21 . 17611 1 86 . 1 1 7 7 THR HG22 H 1 1.10 0.02 . 1 . . . A 7 THR HG22 . 17611 1 87 . 1 1 7 7 THR HG23 H 1 1.10 0.02 . 1 . . . A 7 THR HG23 . 17611 1 88 . 1 1 7 7 THR C C 13 171.6 0.2 . 1 . . . A 7 THR C . 17611 1 89 . 1 1 7 7 THR CA C 13 61.7 0.2 . 1 . . . A 7 THR CA . 17611 1 90 . 1 1 7 7 THR CB C 13 69.6 0.2 . 1 . . . A 7 THR CB . 17611 1 91 . 1 1 7 7 THR CG2 C 13 19.5 0.2 . 1 . . . A 7 THR CG2 . 17611 1 92 . 1 1 7 7 THR N N 15 117.0 0.2 . 1 . . . A 7 THR N . 17611 1 93 . 1 1 8 8 THR H H 1 8.23 0.02 . 1 . . . A 8 THR H . 17611 1 94 . 1 1 8 8 THR HA H 1 5.20 0.02 . 1 . . . A 8 THR HA . 17611 1 95 . 1 1 8 8 THR HB H 1 3.84 0.02 . 1 . . . A 8 THR HB . 17611 1 96 . 1 1 8 8 THR HG21 H 1 0.89 0.02 . 1 . . . A 8 THR HG21 . 17611 1 97 . 1 1 8 8 THR HG22 H 1 0.89 0.02 . 1 . . . A 8 THR HG22 . 17611 1 98 . 1 1 8 8 THR HG23 H 1 0.89 0.02 . 1 . . . A 8 THR HG23 . 17611 1 99 . 1 1 8 8 THR C C 13 172.5 0.2 . 1 . . . A 8 THR C . 17611 1 100 . 1 1 8 8 THR CA C 13 62.3 0.2 . 1 . . . A 8 THR CA . 17611 1 101 . 1 1 8 8 THR CB C 13 70.5 0.2 . 1 . . . A 8 THR CB . 17611 1 102 . 1 1 8 8 THR CG2 C 13 20.9 0.2 . 1 . . . A 8 THR CG2 . 17611 1 103 . 1 1 8 8 THR N N 15 122.0 0.2 . 1 . . . A 8 THR N . 17611 1 104 . 1 1 9 9 VAL H H 1 9.50 0.02 . 1 . . . A 9 VAL H . 17611 1 105 . 1 1 9 9 VAL HA H 1 4.22 0.02 . 1 . . . A 9 VAL HA . 17611 1 106 . 1 1 9 9 VAL HB H 1 2.08 0.02 . 1 . . . A 9 VAL HB . 17611 1 107 . 1 1 9 9 VAL HG11 H 1 0.86 0.02 . 1 . . . A 9 VAL HG11 . 17611 1 108 . 1 1 9 9 VAL HG12 H 1 0.86 0.02 . 1 . . . A 9 VAL HG12 . 17611 1 109 . 1 1 9 9 VAL HG13 H 1 0.86 0.02 . 1 . . . A 9 VAL HG13 . 17611 1 110 . 1 1 9 9 VAL HG21 H 1 0.93 0.02 . 1 . . . A 9 VAL HG21 . 17611 1 111 . 1 1 9 9 VAL HG22 H 1 0.93 0.02 . 1 . . . A 9 VAL HG22 . 17611 1 112 . 1 1 9 9 VAL HG23 H 1 0.93 0.02 . 1 . . . A 9 VAL HG23 . 17611 1 113 . 1 1 9 9 VAL C C 13 175.0 0.2 . 1 . . . A 9 VAL C . 17611 1 114 . 1 1 9 9 VAL CA C 13 60.7 0.2 . 1 . . . A 9 VAL CA . 17611 1 115 . 1 1 9 9 VAL CB C 13 33.8 0.2 . 1 . . . A 9 VAL CB . 17611 1 116 . 1 1 9 9 VAL CG1 C 13 23.0 0.2 . 1 . . . A 9 VAL CG1 . 17611 1 117 . 1 1 9 9 VAL CG2 C 13 21.7 0.2 . 1 . . . A 9 VAL CG2 . 17611 1 118 . 1 1 9 9 VAL N N 15 127.1 0.2 . 1 . . . A 9 VAL N . 17611 1 119 . 1 1 10 10 ALA H H 1 10.16 0.02 . 1 . . . A 10 ALA H . 17611 1 120 . 1 1 10 10 ALA HA H 1 4.74 0.02 . 1 . . . A 10 ALA HA . 17611 1 121 . 1 1 10 10 ALA HB1 H 1 1.26 0.02 . 1 . . . A 10 ALA HB1 . 17611 1 122 . 1 1 10 10 ALA HB2 H 1 1.26 0.02 . 1 . . . A 10 ALA HB2 . 17611 1 123 . 1 1 10 10 ALA HB3 H 1 1.26 0.02 . 1 . . . A 10 ALA HB3 . 17611 1 124 . 1 1 10 10 ALA C C 13 174.7 0.2 . 1 . . . A 10 ALA C . 17611 1 125 . 1 1 10 10 ALA CA C 13 51.0 0.2 . 1 . . . A 10 ALA CA . 17611 1 126 . 1 1 10 10 ALA CB C 13 16.4 0.2 . 1 . . . A 10 ALA CB . 17611 1 127 . 1 1 10 10 ALA N N 15 108.5 0.2 . 1 . . . A 10 ALA N . 17611 1 128 . 1 1 11 11 ALA H H 1 8.01 0.02 . 1 . . . A 11 ALA H . 17611 1 129 . 1 1 11 11 ALA HA H 1 4.67 0.02 . 1 . . . A 11 ALA HA . 17611 1 130 . 1 1 11 11 ALA HB1 H 1 1.07 0.02 . 1 . . . A 11 ALA HB1 . 17611 1 131 . 1 1 11 11 ALA HB2 H 1 1.07 0.02 . 1 . . . A 11 ALA HB2 . 17611 1 132 . 1 1 11 11 ALA HB3 H 1 1.07 0.02 . 1 . . . A 11 ALA HB3 . 17611 1 133 . 1 1 11 11 ALA CA C 13 50.0 0.2 . 1 . . . A 11 ALA CA . 17611 1 134 . 1 1 11 11 ALA CB C 13 21.3 0.2 . 1 . . . A 11 ALA CB . 17611 1 135 . 1 1 11 11 ALA N N 15 124.0 0.2 . 1 . . . A 11 ALA N . 17611 1 136 . 1 1 12 12 PRO HA H 1 4.56 0.02 . 1 . . . A 12 PRO HA . 17611 1 137 . 1 1 12 12 PRO HB2 H 1 1.97 0.02 . 2 . . . A 12 PRO HB2 . 17611 1 138 . 1 1 12 12 PRO HB3 H 1 2.48 0.02 . 2 . . . A 12 PRO HB3 . 17611 1 139 . 1 1 12 12 PRO HG2 H 1 2.07 0.02 . 2 . . . A 12 PRO HG2 . 17611 1 140 . 1 1 12 12 PRO HG3 H 1 2.07 0.02 . 2 . . . A 12 PRO HG3 . 17611 1 141 . 1 1 12 12 PRO HD2 H 1 3.82 0.02 . 2 . . . A 12 PRO HD2 . 17611 1 142 . 1 1 12 12 PRO HD3 H 1 3.33 0.02 . 2 . . . A 12 PRO HD3 . 17611 1 143 . 1 1 12 12 PRO C C 13 179.0 0.2 . 1 . . . A 12 PRO C . 17611 1 144 . 1 1 12 12 PRO CA C 13 62.0 0.2 . 1 . . . A 12 PRO CA . 17611 1 145 . 1 1 12 12 PRO CB C 13 32.6 0.2 . 1 . . . A 12 PRO CB . 17611 1 146 . 1 1 12 12 PRO CG C 13 28.0 0.2 . 1 . . . A 12 PRO CG . 17611 1 147 . 1 1 12 12 PRO CD C 13 50.5 0.2 . 1 . . . A 12 PRO CD . 17611 1 148 . 1 1 13 13 VAL H H 1 9.02 0.02 . 1 . . . A 13 VAL H . 17611 1 149 . 1 1 13 13 VAL HA H 1 3.82 0.02 . 1 . . . A 13 VAL HA . 17611 1 150 . 1 1 13 13 VAL HB H 1 2.11 0.02 . 1 . . . A 13 VAL HB . 17611 1 151 . 1 1 13 13 VAL HG11 H 1 0.94 0.02 . 1 . . . A 13 VAL HG11 . 17611 1 152 . 1 1 13 13 VAL HG12 H 1 0.94 0.02 . 1 . . . A 13 VAL HG12 . 17611 1 153 . 1 1 13 13 VAL HG13 H 1 0.94 0.02 . 1 . . . A 13 VAL HG13 . 17611 1 154 . 1 1 13 13 VAL HG21 H 1 1.04 0.02 . 1 . . . A 13 VAL HG21 . 17611 1 155 . 1 1 13 13 VAL HG22 H 1 1.04 0.02 . 1 . . . A 13 VAL HG22 . 17611 1 156 . 1 1 13 13 VAL HG23 H 1 1.04 0.02 . 1 . . . A 13 VAL HG23 . 17611 1 157 . 1 1 13 13 VAL C C 13 175.6 0.2 . 1 . . . A 13 VAL C . 17611 1 158 . 1 1 13 13 VAL CA C 13 66.3 0.2 . 1 . . . A 13 VAL CA . 17611 1 159 . 1 1 13 13 VAL CB C 13 31.2 0.2 . 1 . . . A 13 VAL CB . 17611 1 160 . 1 1 13 13 VAL CG1 C 13 19.0 0.2 . 1 . . . A 13 VAL CG1 . 17611 1 161 . 1 1 13 13 VAL CG2 C 13 22.1 0.2 . 1 . . . A 13 VAL CG2 . 17611 1 162 . 1 1 13 13 VAL N N 15 122.8 0.2 . 1 . . . A 13 VAL N . 17611 1 163 . 1 1 14 14 GLY H H 1 8.90 0.02 . 1 . . . A 14 GLY H . 17611 1 164 . 1 1 14 14 GLY HA2 H 1 3.93 0.02 . 2 . . . A 14 GLY HA2 . 17611 1 165 . 1 1 14 14 GLY HA3 H 1 3.84 0.02 . 2 . . . A 14 GLY HA3 . 17611 1 166 . 1 1 14 14 GLY C C 13 177.0 0.2 . 1 . . . A 14 GLY C . 17611 1 167 . 1 1 14 14 GLY CA C 13 47.0 0.2 . 1 . . . A 14 GLY CA . 17611 1 168 . 1 1 14 14 GLY N N 15 109.1 0.2 . 1 . . . A 14 GLY N . 17611 1 169 . 1 1 15 15 LYS H H 1 7.05 0.02 . 1 . . . A 15 LYS H . 17611 1 170 . 1 1 15 15 LYS HA H 1 4.21 0.02 . 1 . . . A 15 LYS HA . 17611 1 171 . 1 1 15 15 LYS HB2 H 1 1.93 0.02 . 2 . . . A 15 LYS HB2 . 17611 1 172 . 1 1 15 15 LYS HB3 H 1 1.85 0.02 . 2 . . . A 15 LYS HB3 . 17611 1 173 . 1 1 15 15 LYS HG2 H 1 1.51 0.02 . 2 . . . A 15 LYS HG2 . 17611 1 174 . 1 1 15 15 LYS HG3 H 1 1.46 0.02 . 2 . . . A 15 LYS HG3 . 17611 1 175 . 1 1 15 15 LYS HD2 H 1 1.69 0.02 . 2 . . . A 15 LYS HD2 . 17611 1 176 . 1 1 15 15 LYS HD3 H 1 1.69 0.02 . 2 . . . A 15 LYS HD3 . 17611 1 177 . 1 1 15 15 LYS HE2 H 1 2.99 0.02 . 2 . . . A 15 LYS HE2 . 17611 1 178 . 1 1 15 15 LYS HE3 H 1 2.99 0.02 . 2 . . . A 15 LYS HE3 . 17611 1 179 . 1 1 15 15 LYS C C 13 179.1 0.2 . 1 . . . A 15 LYS C . 17611 1 180 . 1 1 15 15 LYS CA C 13 58.3 0.2 . 1 . . . A 15 LYS CA . 17611 1 181 . 1 1 15 15 LYS CB C 13 32.4 0.2 . 1 . . . A 15 LYS CB . 17611 1 182 . 1 1 15 15 LYS CG C 13 25.2 0.2 . 1 . . . A 15 LYS CG . 17611 1 183 . 1 1 15 15 LYS CD C 13 29.0 0.2 . 1 . . . A 15 LYS CD . 17611 1 184 . 1 1 15 15 LYS CE C 13 42.2 0.2 . 1 . . . A 15 LYS CE . 17611 1 185 . 1 1 15 15 LYS N N 15 119.8 0.2 . 1 . . . A 15 LYS N . 17611 1 186 . 1 1 16 16 VAL H H 1 7.76 0.02 . 1 . . . A 16 VAL H . 17611 1 187 . 1 1 16 16 VAL HA H 1 3.56 0.02 . 1 . . . A 16 VAL HA . 17611 1 188 . 1 1 16 16 VAL HB H 1 2.36 0.02 . 1 . . . A 16 VAL HB . 17611 1 189 . 1 1 16 16 VAL HG11 H 1 1.27 0.02 . 1 . . . A 16 VAL HG11 . 17611 1 190 . 1 1 16 16 VAL HG12 H 1 1.27 0.02 . 1 . . . A 16 VAL HG12 . 17611 1 191 . 1 1 16 16 VAL HG13 H 1 1.27 0.02 . 1 . . . A 16 VAL HG13 . 17611 1 192 . 1 1 16 16 VAL HG21 H 1 0.95 0.02 . 1 . . . A 16 VAL HG21 . 17611 1 193 . 1 1 16 16 VAL HG22 H 1 0.95 0.02 . 1 . . . A 16 VAL HG22 . 17611 1 194 . 1 1 16 16 VAL HG23 H 1 0.95 0.02 . 1 . . . A 16 VAL HG23 . 17611 1 195 . 1 1 16 16 VAL C C 13 176.7 0.2 . 1 . . . A 16 VAL C . 17611 1 196 . 1 1 16 16 VAL CA C 13 67.4 0.2 . 1 . . . A 16 VAL CA . 17611 1 197 . 1 1 16 16 VAL CB C 13 32.1 0.2 . 1 . . . A 16 VAL CB . 17611 1 198 . 1 1 16 16 VAL CG1 C 13 22.4 0.2 . 1 . . . A 16 VAL CG1 . 17611 1 199 . 1 1 16 16 VAL CG2 C 13 24.4 0.2 . 1 . . . A 16 VAL CG2 . 17611 1 200 . 1 1 16 16 VAL N N 15 121.6 0.2 . 1 . . . A 16 VAL N . 17611 1 201 . 1 1 17 17 TRP H H 1 9.21 0.02 . 1 . . . A 17 TRP H . 17611 1 202 . 1 1 17 17 TRP HA H 1 3.75 0.02 . 1 . . . A 17 TRP HA . 17611 1 203 . 1 1 17 17 TRP HB2 H 1 3.23 0.02 . 2 . . . A 17 TRP HB2 . 17611 1 204 . 1 1 17 17 TRP HB3 H 1 2.90 0.02 . 2 . . . A 17 TRP HB3 . 17611 1 205 . 1 1 17 17 TRP HD1 H 1 7.02 0.02 . 1 . . . A 17 TRP HD1 . 17611 1 206 . 1 1 17 17 TRP HE1 H 1 10.22 0.02 . 1 . . . A 17 TRP HE1 . 17611 1 207 . 1 1 17 17 TRP HE3 H 1 5.80 0.02 . 1 . . . A 17 TRP HE3 . 17611 1 208 . 1 1 17 17 TRP HZ2 H 1 7.14 0.02 . 1 . . . A 17 TRP HZ2 . 17611 1 209 . 1 1 17 17 TRP HZ3 H 1 6.65 0.02 . 1 . . . A 17 TRP HZ3 . 17611 1 210 . 1 1 17 17 TRP HH2 H 1 6.99 0.02 . 1 . . . A 17 TRP HH2 . 17611 1 211 . 1 1 17 17 TRP C C 13 179.3 0.2 . 1 . . . A 17 TRP C . 17611 1 212 . 1 1 17 17 TRP CA C 13 60.8 0.2 . 1 . . . A 17 TRP CA . 17611 1 213 . 1 1 17 17 TRP CB C 13 29.8 0.2 . 1 . . . A 17 TRP CB . 17611 1 214 . 1 1 17 17 TRP CD1 C 13 128.0 0.2 . 1 . . . A 17 TRP CD1 . 17611 1 215 . 1 1 17 17 TRP CE3 C 13 119.1 0.2 . 1 . . . A 17 TRP CE3 . 17611 1 216 . 1 1 17 17 TRP CZ2 C 13 113.8 0.2 . 1 . . . A 17 TRP CZ2 . 17611 1 217 . 1 1 17 17 TRP CZ3 C 13 123.0 0.2 . 1 . . . A 17 TRP CZ3 . 17611 1 218 . 1 1 17 17 TRP CH2 C 13 125.3 0.2 . 1 . . . A 17 TRP CH2 . 17611 1 219 . 1 1 17 17 TRP N N 15 120.1 0.2 . 1 . . . A 17 TRP N . 17611 1 220 . 1 1 17 17 TRP NE1 N 15 129.9 0.2 . 1 . . . A 17 TRP NE1 . 17611 1 221 . 1 1 18 18 ARG H H 1 8.05 0.02 . 1 . . . A 18 ARG H . 17611 1 222 . 1 1 18 18 ARG HA H 1 3.83 0.02 . 1 . . . A 18 ARG HA . 17611 1 223 . 1 1 18 18 ARG HB2 H 1 2.11 0.02 . 2 . . . A 18 ARG HB2 . 17611 1 224 . 1 1 18 18 ARG HB3 H 1 1.94 0.02 . 2 . . . A 18 ARG HB3 . 17611 1 225 . 1 1 18 18 ARG HG2 H 1 1.94 0.02 . 2 . . . A 18 ARG HG2 . 17611 1 226 . 1 1 18 18 ARG HG3 H 1 1.76 0.02 . 2 . . . A 18 ARG HG3 . 17611 1 227 . 1 1 18 18 ARG HD2 H 1 3.28 0.02 . 2 . . . A 18 ARG HD2 . 17611 1 228 . 1 1 18 18 ARG HD3 H 1 3.28 0.02 . 2 . . . A 18 ARG HD3 . 17611 1 229 . 1 1 18 18 ARG HE H 1 8.03 0.02 . 1 . . . A 18 ARG HE . 17611 1 230 . 1 1 18 18 ARG C C 13 179.4 0.2 . 1 . . . A 18 ARG C . 17611 1 231 . 1 1 18 18 ARG CA C 13 59.9 0.2 . 1 . . . A 18 ARG CA . 17611 1 232 . 1 1 18 18 ARG CB C 13 30.0 0.2 . 1 . . . A 18 ARG CB . 17611 1 233 . 1 1 18 18 ARG CG C 13 27.9 0.2 . 1 . . . A 18 ARG CG . 17611 1 234 . 1 1 18 18 ARG CD C 13 43.3 0.2 . 1 . . . A 18 ARG CD . 17611 1 235 . 1 1 18 18 ARG CZ C 13 160.0 0.2 . 1 . . . A 18 ARG CZ . 17611 1 236 . 1 1 18 18 ARG N N 15 117.8 0.2 . 1 . . . A 18 ARG N . 17611 1 237 . 1 1 18 18 ARG NE N 15 84.0 0.2 . 1 . . . A 18 ARG NE . 17611 1 238 . 1 1 19 19 ALA H H 1 8.27 0.02 . 1 . . . A 19 ALA H . 17611 1 239 . 1 1 19 19 ALA HA H 1 4.49 0.02 . 1 . . . A 19 ALA HA . 17611 1 240 . 1 1 19 19 ALA HB1 H 1 1.67 0.02 . 1 . . . A 19 ALA HB1 . 17611 1 241 . 1 1 19 19 ALA HB2 H 1 1.67 0.02 . 1 . . . A 19 ALA HB2 . 17611 1 242 . 1 1 19 19 ALA HB3 H 1 1.67 0.02 . 1 . . . A 19 ALA HB3 . 17611 1 243 . 1 1 19 19 ALA C C 13 178.4 0.2 . 1 . . . A 19 ALA C . 17611 1 244 . 1 1 19 19 ALA CA C 13 54.8 0.2 . 1 . . . A 19 ALA CA . 17611 1 245 . 1 1 19 19 ALA CB C 13 19.7 0.2 . 1 . . . A 19 ALA CB . 17611 1 246 . 1 1 19 19 ALA N N 15 121.5 0.2 . 1 . . . A 19 ALA N . 17611 1 247 . 1 1 20 20 TYR H H 1 8.28 0.02 . 1 . . . A 20 TYR H . 17611 1 248 . 1 1 20 20 TYR HA H 1 4.09 0.02 . 1 . . . A 20 TYR HA . 17611 1 249 . 1 1 20 20 TYR HB2 H 1 3.08 0.02 . 2 . . . A 20 TYR HB2 . 17611 1 250 . 1 1 20 20 TYR HB3 H 1 2.64 0.02 . 2 . . . A 20 TYR HB3 . 17611 1 251 . 1 1 20 20 TYR HD1 H 1 5.62 0.02 . 3 . . . A 20 TYR HD1 . 17611 1 252 . 1 1 20 20 TYR HD2 H 1 5.62 0.02 . 3 . . . A 20 TYR HD2 . 17611 1 253 . 1 1 20 20 TYR HE1 H 1 6.12 0.02 . 3 . . . A 20 TYR HE1 . 17611 1 254 . 1 1 20 20 TYR HE2 H 1 6.12 0.02 . 3 . . . A 20 TYR HE2 . 17611 1 255 . 1 1 20 20 TYR C C 13 174.8 0.2 . 1 . . . A 20 TYR C . 17611 1 256 . 1 1 20 20 TYR CA C 13 60.3 0.2 . 1 . . . A 20 TYR CA . 17611 1 257 . 1 1 20 20 TYR CB C 13 38.9 0.2 . 1 . . . A 20 TYR CB . 17611 1 258 . 1 1 20 20 TYR CD1 C 13 132.7 0.2 . 3 . . . A 20 TYR CD1 . 17611 1 259 . 1 1 20 20 TYR CD2 C 13 132.7 0.2 . 3 . . . A 20 TYR CD2 . 17611 1 260 . 1 1 20 20 TYR CE1 C 13 117.6 0.2 . 3 . . . A 20 TYR CE1 . 17611 1 261 . 1 1 20 20 TYR CE2 C 13 117.6 0.2 . 3 . . . A 20 TYR CE2 . 17611 1 262 . 1 1 20 20 TYR N N 15 117.0 0.2 . 1 . . . A 20 TYR N . 17611 1 263 . 1 1 21 21 THR H H 1 7.11 0.02 . 1 . . . A 21 THR H . 17611 1 264 . 1 1 21 21 THR HA H 1 4.16 0.02 . 1 . . . A 21 THR HA . 17611 1 265 . 1 1 21 21 THR HB H 1 4.25 0.02 . 1 . . . A 21 THR HB . 17611 1 266 . 1 1 21 21 THR HG21 H 1 0.40 0.02 . 1 . . . A 21 THR HG21 . 17611 1 267 . 1 1 21 21 THR HG22 H 1 0.40 0.02 . 1 . . . A 21 THR HG22 . 17611 1 268 . 1 1 21 21 THR HG23 H 1 0.40 0.02 . 1 . . . A 21 THR HG23 . 17611 1 269 . 1 1 21 21 THR C C 13 173.8 0.2 . 1 . . . A 21 THR C . 17611 1 270 . 1 1 21 21 THR CA C 13 60.7 0.2 . 1 . . . A 21 THR CA . 17611 1 271 . 1 1 21 21 THR CB C 13 70.8 0.2 . 1 . . . A 21 THR CB . 17611 1 272 . 1 1 21 21 THR CG2 C 13 21.7 0.2 . 1 . . . A 21 THR CG2 . 17611 1 273 . 1 1 21 21 THR N N 15 125.8 0.2 . 1 . . . A 21 THR N . 17611 1 274 . 1 1 22 22 THR H H 1 7.07 0.02 . 1 . . . A 22 THR H . 17611 1 275 . 1 1 22 22 THR HA H 1 4.83 0.02 . 1 . . . A 22 THR HA . 17611 1 276 . 1 1 22 22 THR HB H 1 4.56 0.02 . 1 . . . A 22 THR HB . 17611 1 277 . 1 1 22 22 THR HG1 H 1 6.39 0.02 . 1 . . . A 22 THR HG1 . 17611 1 278 . 1 1 22 22 THR HG21 H 1 1.42 0.02 . 1 . . . A 22 THR HG21 . 17611 1 279 . 1 1 22 22 THR HG22 H 1 1.42 0.02 . 1 . . . A 22 THR HG22 . 17611 1 280 . 1 1 22 22 THR HG23 H 1 1.42 0.02 . 1 . . . A 22 THR HG23 . 17611 1 281 . 1 1 22 22 THR CA C 13 61.1 0.2 . 1 . . . A 22 THR CA . 17611 1 282 . 1 1 22 22 THR CB C 13 70.2 0.2 . 1 . . . A 22 THR CB . 17611 1 283 . 1 1 22 22 THR CG2 C 13 21.4 0.2 . 1 . . . A 22 THR CG2 . 17611 1 284 . 1 1 22 22 THR N N 15 119.0 0.2 . 1 . . . A 22 THR N . 17611 1 285 . 1 1 23 23 PRO HA H 1 3.77 0.02 . 1 . . . A 23 PRO HA . 17611 1 286 . 1 1 23 23 PRO HB2 H 1 2.09 0.02 . 2 . . . A 23 PRO HB2 . 17611 1 287 . 1 1 23 23 PRO HB3 H 1 2.44 0.02 . 2 . . . A 23 PRO HB3 . 17611 1 288 . 1 1 23 23 PRO HG2 H 1 2.53 0.02 . 2 . . . A 23 PRO HG2 . 17611 1 289 . 1 1 23 23 PRO HG3 H 1 1.65 0.02 . 2 . . . A 23 PRO HG3 . 17611 1 290 . 1 1 23 23 PRO HD2 H 1 4.17 0.02 . 2 . . . A 23 PRO HD2 . 17611 1 291 . 1 1 23 23 PRO HD3 H 1 4.11 0.02 . 2 . . . A 23 PRO HD3 . 17611 1 292 . 1 1 23 23 PRO C C 13 176.0 0.2 . 1 . . . A 23 PRO C . 17611 1 293 . 1 1 23 23 PRO CA C 13 66.9 0.2 . 1 . . . A 23 PRO CA . 17611 1 294 . 1 1 23 23 PRO CB C 13 32.2 0.2 . 1 . . . A 23 PRO CB . 17611 1 295 . 1 1 23 23 PRO CG C 13 28.0 0.2 . 1 . . . A 23 PRO CG . 17611 1 296 . 1 1 23 23 PRO CD C 13 51.6 0.2 . 1 . . . A 23 PRO CD . 17611 1 297 . 1 1 24 24 GLU H H 1 8.78 0.02 . 1 . . . A 24 GLU H . 17611 1 298 . 1 1 24 24 GLU HA H 1 3.88 0.02 . 1 . . . A 24 GLU HA . 17611 1 299 . 1 1 24 24 GLU HB2 H 1 2.06 0.02 . 2 . . . A 24 GLU HB2 . 17611 1 300 . 1 1 24 24 GLU HB3 H 1 1.94 0.02 . 2 . . . A 24 GLU HB3 . 17611 1 301 . 1 1 24 24 GLU HG2 H 1 2.38 0.02 . 2 . . . A 24 GLU HG2 . 17611 1 302 . 1 1 24 24 GLU HG3 H 1 2.28 0.02 . 2 . . . A 24 GLU HG3 . 17611 1 303 . 1 1 24 24 GLU C C 13 178.5 0.2 . 1 . . . A 24 GLU C . 17611 1 304 . 1 1 24 24 GLU CA C 13 60.3 0.2 . 1 . . . A 24 GLU CA . 17611 1 305 . 1 1 24 24 GLU CB C 13 29.4 0.2 . 1 . . . A 24 GLU CB . 17611 1 306 . 1 1 24 24 GLU CG C 13 36.8 0.2 . 1 . . . A 24 GLU CG . 17611 1 307 . 1 1 24 24 GLU N N 15 114.9 0.2 . 1 . . . A 24 GLU N . 17611 1 308 . 1 1 25 25 ASP H H 1 7.38 0.02 . 1 . . . A 25 ASP H . 17611 1 309 . 1 1 25 25 ASP HA H 1 4.47 0.02 . 1 . . . A 25 ASP HA . 17611 1 310 . 1 1 25 25 ASP HB2 H 1 3.35 0.02 . 2 . . . A 25 ASP HB2 . 17611 1 311 . 1 1 25 25 ASP HB3 H 1 2.81 0.02 . 2 . . . A 25 ASP HB3 . 17611 1 312 . 1 1 25 25 ASP C C 13 176.7 0.2 . 1 . . . A 25 ASP C . 17611 1 313 . 1 1 25 25 ASP CA C 13 58.3 0.2 . 1 . . . A 25 ASP CA . 17611 1 314 . 1 1 25 25 ASP CB C 13 43.2 0.2 . 1 . . . A 25 ASP CB . 17611 1 315 . 1 1 25 25 ASP N N 15 117.40 0.2 . 1 . . . A 25 ASP N . 17611 1 316 . 1 1 26 26 ILE H H 1 8.15 0.02 . 1 . . . A 26 ILE H . 17611 1 317 . 1 1 26 26 ILE HA H 1 1.68 0.02 . 1 . . . A 26 ILE HA . 17611 1 318 . 1 1 26 26 ILE HB H 1 1.24 0.02 . 1 . . . A 26 ILE HB . 17611 1 319 . 1 1 26 26 ILE HG12 H 1 1.34 0.02 . 2 . . . A 26 ILE HG12 . 17611 1 320 . 1 1 26 26 ILE HG13 H 1 0.51 0.02 . 2 . . . A 26 ILE HG13 . 17611 1 321 . 1 1 26 26 ILE HG21 H 1 0.10 0.02 . 1 . . . A 26 ILE HG21 . 17611 1 322 . 1 1 26 26 ILE HG22 H 1 0.10 0.02 . 1 . . . A 26 ILE HG22 . 17611 1 323 . 1 1 26 26 ILE HG23 H 1 0.10 0.02 . 1 . . . A 26 ILE HG23 . 17611 1 324 . 1 1 26 26 ILE HD11 H 1 0.30 0.02 . 1 . . . A 26 ILE HD11 . 17611 1 325 . 1 1 26 26 ILE HD12 H 1 0.30 0.02 . 1 . . . A 26 ILE HD12 . 17611 1 326 . 1 1 26 26 ILE HD13 H 1 0.30 0.02 . 1 . . . A 26 ILE HD13 . 17611 1 327 . 1 1 26 26 ILE C C 13 177.0 0.2 . 1 . . . A 26 ILE C . 17611 1 328 . 1 1 26 26 ILE CA C 13 64.9 0.2 . 1 . . . A 26 ILE CA . 17611 1 329 . 1 1 26 26 ILE CB C 13 38.5 0.2 . 1 . . . A 26 ILE CB . 17611 1 330 . 1 1 26 26 ILE CG1 C 13 29.0 0.2 . 1 . . . A 26 ILE CG1 . 17611 1 331 . 1 1 26 26 ILE CG2 C 13 17.0 0.2 . 1 . . . A 26 ILE CG2 . 17611 1 332 . 1 1 26 26 ILE CD1 C 13 14.2 0.2 . 1 . . . A 26 ILE CD1 . 17611 1 333 . 1 1 26 26 ILE N N 15 123.1 0.2 . 1 . . . A 26 ILE N . 17611 1 334 . 1 1 27 27 LYS H H 1 7.69 0.02 . 1 . . . A 27 LYS H . 17611 1 335 . 1 1 27 27 LYS HA H 1 3.50 0.02 . 1 . . . A 27 LYS HA . 17611 1 336 . 1 1 27 27 LYS HB2 H 1 1.79 0.02 . 2 . . . A 27 LYS HB2 . 17611 1 337 . 1 1 27 27 LYS HB3 H 1 1.47 0.02 . 2 . . . A 27 LYS HB3 . 17611 1 338 . 1 1 27 27 LYS HG2 H 1 1.42 0.02 . 2 . . . A 27 LYS HG2 . 17611 1 339 . 1 1 27 27 LYS HG3 H 1 0.94 0.02 . 2 . . . A 27 LYS HG3 . 17611 1 340 . 1 1 27 27 LYS HD2 H 1 1.54 0.02 . 2 . . . A 27 LYS HD2 . 17611 1 341 . 1 1 27 27 LYS HD3 H 1 1.54 0.02 . 2 . . . A 27 LYS HD3 . 17611 1 342 . 1 1 27 27 LYS HE2 H 1 2.76 0.02 . 2 . . . A 27 LYS HE2 . 17611 1 343 . 1 1 27 27 LYS HE3 H 1 2.76 0.02 . 2 . . . A 27 LYS HE3 . 17611 1 344 . 1 1 27 27 LYS C C 13 177.0 0.2 . 1 . . . A 27 LYS C . 17611 1 345 . 1 1 27 27 LYS CA C 13 59.1 0.2 . 1 . . . A 27 LYS CA . 17611 1 346 . 1 1 27 27 LYS CB C 13 32.5 0.2 . 1 . . . A 27 LYS CB . 17611 1 347 . 1 1 27 27 LYS CG C 13 26.3 0.2 . 1 . . . A 27 LYS CG . 17611 1 348 . 1 1 27 27 LYS CD C 13 29.5 0.2 . 1 . . . A 27 LYS CD . 17611 1 349 . 1 1 27 27 LYS CE C 13 41.7 0.2 . 1 . . . A 27 LYS CE . 17611 1 350 . 1 1 27 27 LYS N N 15 113.3 0.2 . 1 . . . A 27 LYS N . 17611 1 351 . 1 1 28 28 GLN H H 1 7.51 0.02 . 1 . . . A 28 GLN H . 17611 1 352 . 1 1 28 28 GLN HA H 1 4.35 0.02 . 1 . . . A 28 GLN HA . 17611 1 353 . 1 1 28 28 GLN HB2 H 1 2.24 0.02 . 2 . . . A 28 GLN HB2 . 17611 1 354 . 1 1 28 28 GLN HB3 H 1 1.92 0.02 . 2 . . . A 28 GLN HB3 . 17611 1 355 . 1 1 28 28 GLN HG2 H 1 2.54 0.02 . 2 . . . A 28 GLN HG2 . 17611 1 356 . 1 1 28 28 GLN HG3 H 1 2.37 0.02 . 2 . . . A 28 GLN HG3 . 17611 1 357 . 1 1 28 28 GLN HE21 H 1 7.09 0.02 . 1 . . . A 28 GLN HE21 . 17611 1 358 . 1 1 28 28 GLN HE22 H 1 7.48 0.02 . 1 . . . A 28 GLN HE22 . 17611 1 359 . 1 1 28 28 GLN C C 13 177.2 0.2 . 1 . . . A 28 GLN C . 17611 1 360 . 1 1 28 28 GLN CA C 13 57.0 0.2 . 1 . . . A 28 GLN CA . 17611 1 361 . 1 1 28 28 GLN CB C 13 30.4 0.2 . 1 . . . A 28 GLN CB . 17611 1 362 . 1 1 28 28 GLN CG C 13 34.5 0.2 . 1 . . . A 28 GLN CG . 17611 1 363 . 1 1 28 28 GLN CD C 13 180.3 0.2 . 1 . . . A 28 GLN CD . 17611 1 364 . 1 1 28 28 GLN N N 15 115.3 0.2 . 1 . . . A 28 GLN N . 17611 1 365 . 1 1 28 28 GLN NE2 N 15 112.6 0.2 . 1 . . . A 28 GLN NE2 . 17611 1 366 . 1 1 29 29 TRP H H 1 7.20 0.02 . 1 . . . A 29 TRP H . 17611 1 367 . 1 1 29 29 TRP HA H 1 4.90 0.02 . 1 . . . A 29 TRP HA . 17611 1 368 . 1 1 29 29 TRP HB2 H 1 3.48 0.02 . 2 . . . A 29 TRP HB2 . 17611 1 369 . 1 1 29 29 TRP HB3 H 1 2.66 0.02 . 2 . . . A 29 TRP HB3 . 17611 1 370 . 1 1 29 29 TRP HD1 H 1 6.32 0.02 . 1 . . . A 29 TRP HD1 . 17611 1 371 . 1 1 29 29 TRP HE1 H 1 9.72 0.02 . 1 . . . A 29 TRP HE1 . 17611 1 372 . 1 1 29 29 TRP HE3 H 1 7.40 0.02 . 1 . . . A 29 TRP HE3 . 17611 1 373 . 1 1 29 29 TRP HZ2 H 1 7.05 0.02 . 1 . . . A 29 TRP HZ2 . 17611 1 374 . 1 1 29 29 TRP HZ3 H 1 6.70 0.02 . 1 . . . A 29 TRP HZ3 . 17611 1 375 . 1 1 29 29 TRP HH2 H 1 6.13 0.02 . 1 . . . A 29 TRP HH2 . 17611 1 376 . 1 1 29 29 TRP C C 13 177.0 0.2 . 1 . . . A 29 TRP C . 17611 1 377 . 1 1 29 29 TRP CA C 13 56.4 0.2 . 1 . . . A 29 TRP CA . 17611 1 378 . 1 1 29 29 TRP CB C 13 31.6 0.2 . 1 . . . A 29 TRP CB . 17611 1 379 . 1 1 29 29 TRP CD1 C 13 129.1 0.2 . 1 . . . A 29 TRP CD1 . 17611 1 380 . 1 1 29 29 TRP CE3 C 13 120.7 0.2 . 1 . . . A 29 TRP CE3 . 17611 1 381 . 1 1 29 29 TRP CZ2 C 13 115.4 0.2 . 1 . . . A 29 TRP CZ2 . 17611 1 382 . 1 1 29 29 TRP CZ3 C 13 122.3 0.2 . 1 . . . A 29 TRP CZ3 . 17611 1 383 . 1 1 29 29 TRP CH2 C 13 125.1 0.2 . 1 . . . A 29 TRP CH2 . 17611 1 384 . 1 1 29 29 TRP N N 15 113.1 0.2 . 1 . . . A 29 TRP N . 17611 1 385 . 1 1 29 29 TRP NE1 N 15 126.2 0.2 . 1 . . . A 29 TRP NE1 . 17611 1 386 . 1 1 30 30 ASN H H 1 7.64 0.02 . 1 . . . A 30 ASN H . 17611 1 387 . 1 1 30 30 ASN HA H 1 4.53 0.02 . 1 . . . A 30 ASN HA . 17611 1 388 . 1 1 30 30 ASN HB2 H 1 2.29 0.02 . 2 . . . A 30 ASN HB2 . 17611 1 389 . 1 1 30 30 ASN HB3 H 1 0.75 0.02 . 2 . . . A 30 ASN HB3 . 17611 1 390 . 1 1 30 30 ASN HD21 H 1 5.90 0.02 . 1 . . . A 30 ASN HD21 . 17611 1 391 . 1 1 30 30 ASN HD22 H 1 6.41 0.02 . 1 . . . A 30 ASN HD22 . 17611 1 392 . 1 1 30 30 ASN C C 13 173.5 0.2 . 1 . . . A 30 ASN C . 17611 1 393 . 1 1 30 30 ASN CA C 13 54.5 0.2 . 1 . . . A 30 ASN CA . 17611 1 394 . 1 1 30 30 ASN CB C 13 37.2 0.2 . 1 . . . A 30 ASN CB . 17611 1 395 . 1 1 30 30 ASN CG C 13 176.0 0.2 . 1 . . . A 30 ASN CG . 17611 1 396 . 1 1 30 30 ASN N N 15 121.2 0.2 . 1 . . . A 30 ASN N . 17611 1 397 . 1 1 30 30 ASN ND2 N 15 108.3 0.2 . 1 . . . A 30 ASN ND2 . 17611 1 398 . 1 1 31 31 ALA H H 1 8.51 0.02 . 1 . . . A 31 ALA H . 17611 1 399 . 1 1 31 31 ALA HA H 1 4.16 0.02 . 1 . . . A 31 ALA HA . 17611 1 400 . 1 1 31 31 ALA HB1 H 1 1.35 0.02 . 1 . . . A 31 ALA HB1 . 17611 1 401 . 1 1 31 31 ALA HB2 H 1 1.35 0.02 . 1 . . . A 31 ALA HB2 . 17611 1 402 . 1 1 31 31 ALA HB3 H 1 1.35 0.02 . 1 . . . A 31 ALA HB3 . 17611 1 403 . 1 1 31 31 ALA C C 13 176.1 0.2 . 1 . . . A 31 ALA C . 17611 1 404 . 1 1 31 31 ALA CA C 13 52.4 0.2 . 1 . . . A 31 ALA CA . 17611 1 405 . 1 1 31 31 ALA CB C 13 22.1 0.2 . 1 . . . A 31 ALA CB . 17611 1 406 . 1 1 31 31 ALA N N 15 127.3 0.2 . 1 . . . A 31 ALA N . 17611 1 407 . 1 1 32 32 ALA H H 1 8.77 0.02 . 1 . . . A 32 ALA H . 17611 1 408 . 1 1 32 32 ALA HA H 1 4.06 0.02 . 1 . . . A 32 ALA HA . 17611 1 409 . 1 1 32 32 ALA HB1 H 1 1.17 0.02 . 1 . . . A 32 ALA HB1 . 17611 1 410 . 1 1 32 32 ALA HB2 H 1 1.17 0.02 . 1 . . . A 32 ALA HB2 . 17611 1 411 . 1 1 32 32 ALA HB3 H 1 1.17 0.02 . 1 . . . A 32 ALA HB3 . 17611 1 412 . 1 1 32 32 ALA C C 13 175.9 0.2 . 1 . . . A 32 ALA C . 17611 1 413 . 1 1 32 32 ALA CA C 13 52.3 0.2 . 1 . . . A 32 ALA CA . 17611 1 414 . 1 1 32 32 ALA CB C 13 19.4 0.2 . 1 . . . A 32 ALA CB . 17611 1 415 . 1 1 32 32 ALA N N 15 123.2 0.2 . 1 . . . A 32 ALA N . 17611 1 416 . 1 1 33 33 SER H H 1 7.44 0.02 . 1 . . . A 33 SER H . 17611 1 417 . 1 1 33 33 SER HA H 1 4.63 0.02 . 1 . . . A 33 SER HA . 17611 1 418 . 1 1 33 33 SER HB2 H 1 4.09 0.02 . 2 . . . A 33 SER HB2 . 17611 1 419 . 1 1 33 33 SER HB3 H 1 3.84 0.02 . 2 . . . A 33 SER HB3 . 17611 1 420 . 1 1 33 33 SER C C 13 174.5 0.2 . 1 . . . A 33 SER C . 17611 1 421 . 1 1 33 33 SER CA C 13 56.7 0.2 . 1 . . . A 33 SER CA . 17611 1 422 . 1 1 33 33 SER CB C 13 65.0 0.2 . 1 . . . A 33 SER CB . 17611 1 423 . 1 1 33 33 SER N N 15 109.5 0.2 . 1 . . . A 33 SER N . 17611 1 424 . 1 1 34 34 ASP H H 1 8.81 0.02 . 1 . . . A 34 ASP H . 17611 1 425 . 1 1 34 34 ASP HA H 1 4.67 0.02 . 1 . . . A 34 ASP HA . 17611 1 426 . 1 1 34 34 ASP HB2 H 1 2.80 0.02 . 2 . . . A 34 ASP HB2 . 17611 1 427 . 1 1 34 34 ASP HB3 H 1 2.70 0.02 . 2 . . . A 34 ASP HB3 . 17611 1 428 . 1 1 34 34 ASP C C 13 175.6 0.2 . 1 . . . A 34 ASP C . 17611 1 429 . 1 1 34 34 ASP CA C 13 56.1 0.2 . 1 . . . A 34 ASP CA . 17611 1 430 . 1 1 34 34 ASP CB C 13 40.7 0.2 . 1 . . . A 34 ASP CB . 17611 1 431 . 1 1 34 34 ASP N N 15 119.70 0.2 . 1 . . . A 34 ASP N . 17611 1 432 . 1 1 35 35 ASP H H 1 8.36 0.02 . 1 . . . A 35 ASP H . 17611 1 433 . 1 1 35 35 ASP HA H 1 4.72 0.02 . 1 . . . A 35 ASP HA . 17611 1 434 . 1 1 35 35 ASP HB2 H 1 2.74 0.02 . 2 . . . A 35 ASP HB2 . 17611 1 435 . 1 1 35 35 ASP HB3 H 1 2.74 0.02 . 2 . . . A 35 ASP HB3 . 17611 1 436 . 1 1 35 35 ASP C C 13 175.1 0.2 . 1 . . . A 35 ASP C . 17611 1 437 . 1 1 35 35 ASP CA C 13 54.2 0.2 . 1 . . . A 35 ASP CA . 17611 1 438 . 1 1 35 35 ASP CB C 13 40.5 0.2 . 1 . . . A 35 ASP CB . 17611 1 439 . 1 1 35 35 ASP N N 15 115.20 0.2 . 1 . . . A 35 ASP N . 17611 1 440 . 1 1 36 36 TRP H H 1 8.03 0.02 . 1 . . . A 36 TRP H . 17611 1 441 . 1 1 36 36 TRP HA H 1 5.07 0.02 . 1 . . . A 36 TRP HA . 17611 1 442 . 1 1 36 36 TRP HB2 H 1 3.34 0.02 . 2 . . . A 36 TRP HB2 . 17611 1 443 . 1 1 36 36 TRP HB3 H 1 3.00 0.02 . 2 . . . A 36 TRP HB3 . 17611 1 444 . 1 1 36 36 TRP HD1 H 1 7.14 0.02 . 1 . . . A 36 TRP HD1 . 17611 1 445 . 1 1 36 36 TRP HE1 H 1 10.33 0.02 . 1 . . . A 36 TRP HE1 . 17611 1 446 . 1 1 36 36 TRP HE3 H 1 7.21 0.02 . 1 . . . A 36 TRP HE3 . 17611 1 447 . 1 1 36 36 TRP HZ2 H 1 7.51 0.02 . 1 . . . A 36 TRP HZ2 . 17611 1 448 . 1 1 36 36 TRP HZ3 H 1 6.75 0.02 . 1 . . . A 36 TRP HZ3 . 17611 1 449 . 1 1 36 36 TRP HH2 H 1 7.01 0.02 . 1 . . . A 36 TRP HH2 . 17611 1 450 . 1 1 36 36 TRP C C 13 173.4 0.2 . 1 . . . A 36 TRP C . 17611 1 451 . 1 1 36 36 TRP CA C 13 57.2 0.2 . 1 . . . A 36 TRP CA . 17611 1 452 . 1 1 36 36 TRP CB C 13 33.4 0.2 . 1 . . . A 36 TRP CB . 17611 1 453 . 1 1 36 36 TRP CD1 C 13 126.5 0.2 . 1 . . . A 36 TRP CD1 . 17611 1 454 . 1 1 36 36 TRP CE3 C 13 120.4 0.2 . 1 . . . A 36 TRP CE3 . 17611 1 455 . 1 1 36 36 TRP CZ2 C 13 114.8 0.2 . 1 . . . A 36 TRP CZ2 . 17611 1 456 . 1 1 36 36 TRP CZ3 C 13 121.7 0.2 . 1 . . . A 36 TRP CZ3 . 17611 1 457 . 1 1 36 36 TRP CH2 C 13 123.7 0.2 . 1 . . . A 36 TRP CH2 . 17611 1 458 . 1 1 36 36 TRP N N 15 123.1 0.2 . 1 . . . A 36 TRP N . 17611 1 459 . 1 1 36 36 TRP NE1 N 15 130.9 0.2 . 1 . . . A 36 TRP NE1 . 17611 1 460 . 1 1 37 37 HIS H H 1 9.23 0.02 . 1 . . . A 37 HIS H . 17611 1 461 . 1 1 37 37 HIS HA H 1 5.00 0.02 . 1 . . . A 37 HIS HA . 17611 1 462 . 1 1 37 37 HIS HB2 H 1 3.42 0.02 . 2 . . . A 37 HIS HB2 . 17611 1 463 . 1 1 37 37 HIS HB3 H 1 3.25 0.02 . 2 . . . A 37 HIS HB3 . 17611 1 464 . 1 1 37 37 HIS HD2 H 1 7.27 0.02 . 1 . . . A 37 HIS HD2 . 17611 1 465 . 1 1 37 37 HIS C C 13 174.5 0.2 . 1 . . . A 37 HIS C . 17611 1 466 . 1 1 37 37 HIS CA C 13 53.9 0.2 . 1 . . . A 37 HIS CA . 17611 1 467 . 1 1 37 37 HIS CB C 13 32.5 0.2 . 1 . . . A 37 HIS CB . 17611 1 468 . 1 1 37 37 HIS CD2 C 13 117.6 0.2 . 1 . . . A 37 HIS CD2 . 17611 1 469 . 1 1 37 37 HIS N N 15 111.2 0.2 . 1 . . . A 37 HIS N . 17611 1 470 . 1 1 37 37 HIS NE2 N 15 172.0 0.2 . 1 . . . A 37 HIS NE2 . 17611 1 471 . 1 1 38 38 THR H H 1 9.03 0.02 . 1 . . . A 38 THR H . 17611 1 472 . 1 1 38 38 THR HA H 1 5.32 0.02 . 1 . . . A 38 THR HA . 17611 1 473 . 1 1 38 38 THR HB H 1 3.98 0.02 . 1 . . . A 38 THR HB . 17611 1 474 . 1 1 38 38 THR HG1 H 1 5.70 0.02 . 1 . . . A 38 THR HG1 . 17611 1 475 . 1 1 38 38 THR HG21 H 1 1.00 0.02 . 1 . . . A 38 THR HG21 . 17611 1 476 . 1 1 38 38 THR HG22 H 1 1.00 0.02 . 1 . . . A 38 THR HG22 . 17611 1 477 . 1 1 38 38 THR HG23 H 1 1.00 0.02 . 1 . . . A 38 THR HG23 . 17611 1 478 . 1 1 38 38 THR C C 13 174.8 0.2 . 1 . . . A 38 THR C . 17611 1 479 . 1 1 38 38 THR CA C 13 63.0 0.2 . 1 . . . A 38 THR CA . 17611 1 480 . 1 1 38 38 THR CB C 13 68.9 0.2 . 1 . . . A 38 THR CB . 17611 1 481 . 1 1 38 38 THR CG2 C 13 22.4 0.2 . 1 . . . A 38 THR CG2 . 17611 1 482 . 1 1 38 38 THR N N 15 121.4 0.2 . 1 . . . A 38 THR N . 17611 1 483 . 1 1 39 39 THR H H 1 8.48 0.02 . 1 . . . A 39 THR H . 17611 1 484 . 1 1 39 39 THR HA H 1 3.92 0.02 . 1 . . . A 39 THR HA . 17611 1 485 . 1 1 39 39 THR HB H 1 4.03 0.02 . 1 . . . A 39 THR HB . 17611 1 486 . 1 1 39 39 THR HG21 H 1 0.46 0.02 . 1 . . . A 39 THR HG21 . 17611 1 487 . 1 1 39 39 THR HG22 H 1 0.46 0.02 . 1 . . . A 39 THR HG22 . 17611 1 488 . 1 1 39 39 THR HG23 H 1 0.46 0.02 . 1 . . . A 39 THR HG23 . 17611 1 489 . 1 1 39 39 THR C C 13 175.0 0.2 . 1 . . . A 39 THR C . 17611 1 490 . 1 1 39 39 THR CA C 13 61.6 0.2 . 1 . . . A 39 THR CA . 17611 1 491 . 1 1 39 39 THR CB C 13 68.2 0.2 . 1 . . . A 39 THR CB . 17611 1 492 . 1 1 39 39 THR CG2 C 13 21.7 0.2 . 1 . . . A 39 THR CG2 . 17611 1 493 . 1 1 39 39 THR N N 15 116.2 0.2 . 1 . . . A 39 THR N . 17611 1 494 . 1 1 40 40 ALA H H 1 7.35 0.02 . 1 . . . A 40 ALA H . 17611 1 495 . 1 1 40 40 ALA HA H 1 4.35 0.02 . 1 . . . A 40 ALA HA . 17611 1 496 . 1 1 40 40 ALA HB1 H 1 1.27 0.02 . 1 . . . A 40 ALA HB1 . 17611 1 497 . 1 1 40 40 ALA HB2 H 1 1.27 0.02 . 1 . . . A 40 ALA HB2 . 17611 1 498 . 1 1 40 40 ALA HB3 H 1 1.27 0.02 . 1 . . . A 40 ALA HB3 . 17611 1 499 . 1 1 40 40 ALA C C 13 174.6 0.2 . 1 . . . A 40 ALA C . 17611 1 500 . 1 1 40 40 ALA CA C 13 52.0 0.2 . 1 . . . A 40 ALA CA . 17611 1 501 . 1 1 40 40 ALA CB C 13 21.6 0.2 . 1 . . . A 40 ALA CB . 17611 1 502 . 1 1 40 40 ALA N N 15 122.9 0.2 . 1 . . . A 40 ALA N . 17611 1 503 . 1 1 41 41 ALA H H 1 8.39 0.02 . 1 . . . A 41 ALA H . 17611 1 504 . 1 1 41 41 ALA HA H 1 5.24 0.02 . 1 . . . A 41 ALA HA . 17611 1 505 . 1 1 41 41 ALA HB1 H 1 1.11 0.02 . 1 . . . A 41 ALA HB1 . 17611 1 506 . 1 1 41 41 ALA HB2 H 1 1.11 0.02 . 1 . . . A 41 ALA HB2 . 17611 1 507 . 1 1 41 41 ALA HB3 H 1 1.11 0.02 . 1 . . . A 41 ALA HB3 . 17611 1 508 . 1 1 41 41 ALA C C 13 175.1 0.2 . 1 . . . A 41 ALA C . 17611 1 509 . 1 1 41 41 ALA CA C 13 52.0 0.2 . 1 . . . A 41 ALA CA . 17611 1 510 . 1 1 41 41 ALA CB C 13 21.5 0.2 . 1 . . . A 41 ALA CB . 17611 1 511 . 1 1 41 41 ALA N N 15 122.1 0.2 . 1 . . . A 41 ALA N . 17611 1 512 . 1 1 42 42 THR H H 1 9.08 0.02 . 1 . . . A 42 THR H . 17611 1 513 . 1 1 42 42 THR HA H 1 4.56 0.02 . 1 . . . A 42 THR HA . 17611 1 514 . 1 1 42 42 THR HB H 1 4.09 0.02 . 1 . . . A 42 THR HB . 17611 1 515 . 1 1 42 42 THR HG21 H 1 1.15 0.02 . 1 . . . A 42 THR HG21 . 17611 1 516 . 1 1 42 42 THR HG22 H 1 1.15 0.02 . 1 . . . A 42 THR HG22 . 17611 1 517 . 1 1 42 42 THR HG23 H 1 1.15 0.02 . 1 . . . A 42 THR HG23 . 17611 1 518 . 1 1 42 42 THR C C 13 173.7 0.2 . 1 . . . A 42 THR C . 17611 1 519 . 1 1 42 42 THR CA C 13 60.5 0.2 . 1 . . . A 42 THR CA . 17611 1 520 . 1 1 42 42 THR CB C 13 71.2 0.2 . 1 . . . A 42 THR CB . 17611 1 521 . 1 1 42 42 THR CG2 C 13 21.4 0.2 . 1 . . . A 42 THR CG2 . 17611 1 522 . 1 1 42 42 THR N N 15 114.9 0.2 . 1 . . . A 42 THR N . 17611 1 523 . 1 1 43 43 VAL H H 1 8.78 0.02 . 1 . . . A 43 VAL H . 17611 1 524 . 1 1 43 43 VAL HA H 1 4.28 0.02 . 1 . . . A 43 VAL HA . 17611 1 525 . 1 1 43 43 VAL HB H 1 1.91 0.02 . 1 . . . A 43 VAL HB . 17611 1 526 . 1 1 43 43 VAL HG11 H 1 1.18 0.02 . 1 . . . A 43 VAL HG11 . 17611 1 527 . 1 1 43 43 VAL HG12 H 1 1.18 0.02 . 1 . . . A 43 VAL HG12 . 17611 1 528 . 1 1 43 43 VAL HG13 H 1 1.18 0.02 . 1 . . . A 43 VAL HG13 . 17611 1 529 . 1 1 43 43 VAL HG21 H 1 0.73 0.02 . 1 . . . A 43 VAL HG21 . 17611 1 530 . 1 1 43 43 VAL HG22 H 1 0.73 0.02 . 1 . . . A 43 VAL HG22 . 17611 1 531 . 1 1 43 43 VAL HG23 H 1 0.73 0.02 . 1 . . . A 43 VAL HG23 . 17611 1 532 . 1 1 43 43 VAL C C 13 173.9 0.2 . 1 . . . A 43 VAL C . 17611 1 533 . 1 1 43 43 VAL CA C 13 63.3 0.2 . 1 . . . A 43 VAL CA . 17611 1 534 . 1 1 43 43 VAL CB C 13 38.4 0.2 . 1 . . . A 43 VAL CB . 17611 1 535 . 1 1 43 43 VAL CG1 C 13 21.7 0.2 . 1 . . . A 43 VAL CG1 . 17611 1 536 . 1 1 43 43 VAL CG2 C 13 21.4 0.2 . 1 . . . A 43 VAL CG2 . 17611 1 537 . 1 1 43 43 VAL N N 15 124.3 0.2 . 1 . . . A 43 VAL N . 17611 1 538 . 1 1 44 44 ASP H H 1 8.02 0.02 . 1 . . . A 44 ASP H . 17611 1 539 . 1 1 44 44 ASP HA H 1 4.97 0.02 . 1 . . . A 44 ASP HA . 17611 1 540 . 1 1 44 44 ASP HB2 H 1 3.52 0.02 . 2 . . . A 44 ASP HB2 . 17611 1 541 . 1 1 44 44 ASP HB3 H 1 2.63 0.02 . 2 . . . A 44 ASP HB3 . 17611 1 542 . 1 1 44 44 ASP C C 13 175.0 0.2 . 1 . . . A 44 ASP C . 17611 1 543 . 1 1 44 44 ASP CA C 13 52.5 0.2 . 1 . . . A 44 ASP CA . 17611 1 544 . 1 1 44 44 ASP CB C 13 40.2 0.2 . 1 . . . A 44 ASP CB . 17611 1 545 . 1 1 44 44 ASP N N 15 128.70 0.2 . 1 . . . A 44 ASP N . 17611 1 546 . 1 1 45 45 LEU H H 1 8.35 0.02 . 1 . . . A 45 LEU H . 17611 1 547 . 1 1 45 45 LEU HA H 1 3.99 0.02 . 1 . . . A 45 LEU HA . 17611 1 548 . 1 1 45 45 LEU HB2 H 1 2.09 0.02 . 2 . . . A 45 LEU HB2 . 17611 1 549 . 1 1 45 45 LEU HB3 H 1 0.97 0.02 . 2 . . . A 45 LEU HB3 . 17611 1 550 . 1 1 45 45 LEU HG H 1 1.26 0.02 . 1 . . . A 45 LEU HG . 17611 1 551 . 1 1 45 45 LEU HD11 H 1 0.02 0.02 . 1 . . . A 45 LEU HD11 . 17611 1 552 . 1 1 45 45 LEU HD12 H 1 0.02 0.02 . 1 . . . A 45 LEU HD12 . 17611 1 553 . 1 1 45 45 LEU HD13 H 1 0.02 0.02 . 1 . . . A 45 LEU HD13 . 17611 1 554 . 1 1 45 45 LEU HD21 H 1 0.85 0.02 . 1 . . . A 45 LEU HD21 . 17611 1 555 . 1 1 45 45 LEU HD22 H 1 0.85 0.02 . 1 . . . A 45 LEU HD22 . 17611 1 556 . 1 1 45 45 LEU HD23 H 1 0.85 0.02 . 1 . . . A 45 LEU HD23 . 17611 1 557 . 1 1 45 45 LEU C C 13 173.9 0.2 . 1 . . . A 45 LEU C . 17611 1 558 . 1 1 45 45 LEU CA C 13 55.0 0.2 . 1 . . . A 45 LEU CA . 17611 1 559 . 1 1 45 45 LEU CB C 13 40.3 0.2 . 1 . . . A 45 LEU CB . 17611 1 560 . 1 1 45 45 LEU CG C 13 27.1 0.2 . 1 . . . A 45 LEU CG . 17611 1 561 . 1 1 45 45 LEU CD1 C 13 22.0 0.2 . 1 . . . A 45 LEU CD1 . 17611 1 562 . 1 1 45 45 LEU CD2 C 13 26.4 0.2 . 1 . . . A 45 LEU CD2 . 17611 1 563 . 1 1 45 45 LEU N N 15 122.5 0.2 . 1 . . . A 45 LEU N . 17611 1 564 . 1 1 46 46 ARG H H 1 8.36 0.02 . 1 . . . A 46 ARG H . 17611 1 565 . 1 1 46 46 ARG HA H 1 4.51 0.02 . 1 . . . A 46 ARG HA . 17611 1 566 . 1 1 46 46 ARG HB2 H 1 2.09 0.02 . 2 . . . A 46 ARG HB2 . 17611 1 567 . 1 1 46 46 ARG HB3 H 1 1.68 0.02 . 2 . . . A 46 ARG HB3 . 17611 1 568 . 1 1 46 46 ARG HG2 H 1 1.38 0.02 . 2 . . . A 46 ARG HG2 . 17611 1 569 . 1 1 46 46 ARG HG3 H 1 1.15 0.02 . 2 . . . A 46 ARG HG3 . 17611 1 570 . 1 1 46 46 ARG HD2 H 1 3.17 0.02 . 2 . . . A 46 ARG HD2 . 17611 1 571 . 1 1 46 46 ARG HD3 H 1 3.07 0.02 . 2 . . . A 46 ARG HD3 . 17611 1 572 . 1 1 46 46 ARG HE H 1 8.21 0.02 . 1 . . . A 46 ARG HE . 17611 1 573 . 1 1 46 46 ARG C C 13 175.4 0.2 . 1 . . . A 46 ARG C . 17611 1 574 . 1 1 46 46 ARG CA C 13 54.2 0.2 . 1 . . . A 46 ARG CA . 17611 1 575 . 1 1 46 46 ARG CB C 13 31.5 0.2 . 1 . . . A 46 ARG CB . 17611 1 576 . 1 1 46 46 ARG CG C 13 25.4 0.2 . 1 . . . A 46 ARG CG . 17611 1 577 . 1 1 46 46 ARG CD C 13 43.5 0.2 . 1 . . . A 46 ARG CD . 17611 1 578 . 1 1 46 46 ARG CZ C 13 159.6 0.2 . 1 . . . A 46 ARG CZ . 17611 1 579 . 1 1 46 46 ARG N N 15 124.2 0.2 . 1 . . . A 46 ARG N . 17611 1 580 . 1 1 46 46 ARG NE N 15 87.8 0.2 . 1 . . . A 46 ARG NE . 17611 1 581 . 1 1 47 47 GLU H H 1 9.31 0.02 . 1 . . . A 47 GLU H . 17611 1 582 . 1 1 47 47 GLU HA H 1 3.76 0.02 . 1 . . . A 47 GLU HA . 17611 1 583 . 1 1 47 47 GLU HB2 H 1 2.11 0.02 . 2 . . . A 47 GLU HB2 . 17611 1 584 . 1 1 47 47 GLU HB3 H 1 2.02 0.02 . 2 . . . A 47 GLU HB3 . 17611 1 585 . 1 1 47 47 GLU HG2 H 1 2.42 0.02 . 2 . . . A 47 GLU HG2 . 17611 1 586 . 1 1 47 47 GLU HG3 H 1 2.13 0.02 . 2 . . . A 47 GLU HG3 . 17611 1 587 . 1 1 47 47 GLU C C 13 177.4 0.2 . 1 . . . A 47 GLU C . 17611 1 588 . 1 1 47 47 GLU CA C 13 59.6 0.2 . 1 . . . A 47 GLU CA . 17611 1 589 . 1 1 47 47 GLU CB C 13 28.3 0.2 . 1 . . . A 47 GLU CB . 17611 1 590 . 1 1 47 47 GLU CG C 13 37.4 0.2 . 1 . . . A 47 GLU CG . 17611 1 591 . 1 1 47 47 GLU N N 15 123.7 0.2 . 1 . . . A 47 GLU N . 17611 1 592 . 1 1 48 48 GLY H H 1 9.16 0.02 . 1 . . . A 48 GLY H . 17611 1 593 . 1 1 48 48 GLY HA2 H 1 4.46 0.02 . 2 . . . A 48 GLY HA2 . 17611 1 594 . 1 1 48 48 GLY HA3 H 1 3.76 0.02 . 2 . . . A 48 GLY HA3 . 17611 1 595 . 1 1 48 48 GLY C C 13 174.7 0.2 . 1 . . . A 48 GLY C . 17611 1 596 . 1 1 48 48 GLY CA C 13 45.3 0.2 . 1 . . . A 48 GLY CA . 17611 1 597 . 1 1 48 48 GLY N N 15 115.6 0.2 . 1 . . . A 48 GLY N . 17611 1 598 . 1 1 49 49 GLY H H 1 8.89 0.02 . 1 . . . A 49 GLY H . 17611 1 599 . 1 1 49 49 GLY HA2 H 1 4.48 0.02 . 2 . . . A 49 GLY HA2 . 17611 1 600 . 1 1 49 49 GLY HA3 H 1 4.22 0.02 . 2 . . . A 49 GLY HA3 . 17611 1 601 . 1 1 49 49 GLY C C 13 171.5 0.2 . 1 . . . A 49 GLY C . 17611 1 602 . 1 1 49 49 GLY CA C 13 44.4 0.2 . 1 . . . A 49 GLY CA . 17611 1 603 . 1 1 49 49 GLY N N 15 111.0 0.2 . 1 . . . A 49 GLY N . 17611 1 604 . 1 1 50 50 ALA H H 1 8.70 0.02 . 1 . . . A 50 ALA H . 17611 1 605 . 1 1 50 50 ALA HA H 1 5.20 0.02 . 1 . . . A 50 ALA HA . 17611 1 606 . 1 1 50 50 ALA HB1 H 1 1.41 0.02 . 1 . . . A 50 ALA HB1 . 17611 1 607 . 1 1 50 50 ALA HB2 H 1 1.41 0.02 . 1 . . . A 50 ALA HB2 . 17611 1 608 . 1 1 50 50 ALA HB3 H 1 1.41 0.02 . 1 . . . A 50 ALA HB3 . 17611 1 609 . 1 1 50 50 ALA C C 13 178.0 0.2 . 1 . . . A 50 ALA C . 17611 1 610 . 1 1 50 50 ALA CA C 13 51.0 0.2 . 1 . . . A 50 ALA CA . 17611 1 611 . 1 1 50 50 ALA CB C 13 22.0 0.2 . 1 . . . A 50 ALA CB . 17611 1 612 . 1 1 50 50 ALA N N 15 123.0 0.2 . 1 . . . A 50 ALA N . 17611 1 613 . 1 1 51 51 PHE H H 1 7.92 0.02 . 1 . . . A 51 PHE H . 17611 1 614 . 1 1 51 51 PHE HA H 1 5.17 0.02 . 1 . . . A 51 PHE HA . 17611 1 615 . 1 1 51 51 PHE HB2 H 1 3.18 0.02 . 2 . . . A 51 PHE HB2 . 17611 1 616 . 1 1 51 51 PHE HB3 H 1 2.99 0.02 . 2 . . . A 51 PHE HB3 . 17611 1 617 . 1 1 51 51 PHE HD1 H 1 6.15 0.02 . 3 . . . A 51 PHE HD1 . 17611 1 618 . 1 1 51 51 PHE HD2 H 1 6.15 0.02 . 3 . . . A 51 PHE HD2 . 17611 1 619 . 1 1 51 51 PHE HE1 H 1 5.97 0.02 . 3 . . . A 51 PHE HE1 . 17611 1 620 . 1 1 51 51 PHE HE2 H 1 5.97 0.02 . 3 . . . A 51 PHE HE2 . 17611 1 621 . 1 1 51 51 PHE HZ H 1 5.95 0.02 . 1 . . . A 51 PHE HZ . 17611 1 622 . 1 1 51 51 PHE C C 13 174.1 0.2 . 1 . . . A 51 PHE C . 17611 1 623 . 1 1 51 51 PHE CA C 13 55.6 0.2 . 1 . . . A 51 PHE CA . 17611 1 624 . 1 1 51 51 PHE CB C 13 42.1 0.2 . 1 . . . A 51 PHE CB . 17611 1 625 . 1 1 51 51 PHE CD1 C 13 131.9 0.2 . 3 . . . A 51 PHE CD1 . 17611 1 626 . 1 1 51 51 PHE CD2 C 13 131.9 0.2 . 3 . . . A 51 PHE CD2 . 17611 1 627 . 1 1 51 51 PHE CE1 C 13 129.8 0.2 . 3 . . . A 51 PHE CE1 . 17611 1 628 . 1 1 51 51 PHE CE2 C 13 129.8 0.2 . 3 . . . A 51 PHE CE2 . 17611 1 629 . 1 1 51 51 PHE CZ C 13 128.3 0.2 . 1 . . . A 51 PHE CZ . 17611 1 630 . 1 1 51 51 PHE N N 15 116.7 0.2 . 1 . . . A 51 PHE N . 17611 1 631 . 1 1 52 52 SER H H 1 8.66 0.02 . 1 . . . A 52 SER H . 17611 1 632 . 1 1 52 52 SER HA H 1 4.97 0.02 . 1 . . . A 52 SER HA . 17611 1 633 . 1 1 52 52 SER HB2 H 1 3.71 0.02 . 2 . . . A 52 SER HB2 . 17611 1 634 . 1 1 52 52 SER HB3 H 1 3.64 0.02 . 2 . . . A 52 SER HB3 . 17611 1 635 . 1 1 52 52 SER C C 13 173.9 0.2 . 1 . . . A 52 SER C . 17611 1 636 . 1 1 52 52 SER CA C 13 57.8 0.2 . 1 . . . A 52 SER CA . 17611 1 637 . 1 1 52 52 SER CB C 13 65.1 0.2 . 1 . . . A 52 SER CB . 17611 1 638 . 1 1 52 52 SER N N 15 114.2 0.2 . 1 . . . A 52 SER N . 17611 1 639 . 1 1 53 53 SER H H 1 9.20 0.02 . 1 . . . A 53 SER H . 17611 1 640 . 1 1 53 53 SER HA H 1 5.20 0.02 . 1 . . . A 53 SER HA . 17611 1 641 . 1 1 53 53 SER HB2 H 1 3.82 0.02 . 2 . . . A 53 SER HB2 . 17611 1 642 . 1 1 53 53 SER HB3 H 1 3.71 0.02 . 2 . . . A 53 SER HB3 . 17611 1 643 . 1 1 53 53 SER C C 13 172.3 0.2 . 1 . . . A 53 SER C . 17611 1 644 . 1 1 53 53 SER CA C 13 57.6 0.2 . 1 . . . A 53 SER CA . 17611 1 645 . 1 1 53 53 SER CB C 13 66.0 0.2 . 1 . . . A 53 SER CB . 17611 1 646 . 1 1 53 53 SER N N 15 121.5 0.2 . 1 . . . A 53 SER N . 17611 1 647 . 1 1 54 54 ARG H H 1 8.46 0.02 . 1 . . . A 54 ARG H . 17611 1 648 . 1 1 54 54 ARG HA H 1 4.91 0.02 . 1 . . . A 54 ARG HA . 17611 1 649 . 1 1 54 54 ARG HB2 H 1 1.92 0.02 . 2 . . . A 54 ARG HB2 . 17611 1 650 . 1 1 54 54 ARG HB3 H 1 1.61 0.02 . 2 . . . A 54 ARG HB3 . 17611 1 651 . 1 1 54 54 ARG HG2 H 1 1.49 0.02 . 2 . . . A 54 ARG HG2 . 17611 1 652 . 1 1 54 54 ARG HG3 H 1 1.32 0.02 . 2 . . . A 54 ARG HG3 . 17611 1 653 . 1 1 54 54 ARG HD2 H 1 3.04 0.02 . 2 . . . A 54 ARG HD2 . 17611 1 654 . 1 1 54 54 ARG HD3 H 1 2.98 0.02 . 2 . . . A 54 ARG HD3 . 17611 1 655 . 1 1 54 54 ARG HE H 1 8.10 0.02 . 1 . . . A 54 ARG HE . 17611 1 656 . 1 1 54 54 ARG C C 13 173.5 0.2 . 1 . . . A 54 ARG C . 17611 1 657 . 1 1 54 54 ARG CA C 13 54.7 0.2 . 1 . . . A 54 ARG CA . 17611 1 658 . 1 1 54 54 ARG CB C 13 30.7 0.2 . 1 . . . A 54 ARG CB . 17611 1 659 . 1 1 54 54 ARG CG C 13 26.9 0.2 . 1 . . . A 54 ARG CG . 17611 1 660 . 1 1 54 54 ARG CD C 13 42.8 0.2 . 1 . . . A 54 ARG CD . 17611 1 661 . 1 1 54 54 ARG CZ C 13 159.4 0.2 . 1 . . . A 54 ARG CZ . 17611 1 662 . 1 1 54 54 ARG N N 15 125.6 0.2 . 1 . . . A 54 ARG N . 17611 1 663 . 1 1 54 54 ARG NE N 15 86.6 0.2 . 1 . . . A 54 ARG NE . 17611 1 664 . 1 1 55 55 MET H H 1 8.66 0.02 . 1 . . . A 55 MET H . 17611 1 665 . 1 1 55 55 MET HA H 1 4.99 0.02 . 1 . . . A 55 MET HA . 17611 1 666 . 1 1 55 55 MET HB2 H 1 1.93 0.02 . 2 . . . A 55 MET HB2 . 17611 1 667 . 1 1 55 55 MET HB3 H 1 1.47 0.02 . 2 . . . A 55 MET HB3 . 17611 1 668 . 1 1 55 55 MET HG2 H 1 2.42 0.02 . 2 . . . A 55 MET HG2 . 17611 1 669 . 1 1 55 55 MET HG3 H 1 2.26 0.02 . 2 . . . A 55 MET HG3 . 17611 1 670 . 1 1 55 55 MET HE1 H 1 1.59 0.02 . 1 . . . A 55 MET HE1 . 17611 1 671 . 1 1 55 55 MET HE2 H 1 1.59 0.02 . 1 . . . A 55 MET HE2 . 17611 1 672 . 1 1 55 55 MET HE3 H 1 1.59 0.02 . 1 . . . A 55 MET HE3 . 17611 1 673 . 1 1 55 55 MET C C 13 174.2 0.2 . 1 . . . A 55 MET C . 17611 1 674 . 1 1 55 55 MET CA C 13 54.8 0.2 . 1 . . . A 55 MET CA . 17611 1 675 . 1 1 55 55 MET CB C 13 34.1 0.2 . 1 . . . A 55 MET CB . 17611 1 676 . 1 1 55 55 MET CG C 13 31.3 0.2 . 1 . . . A 55 MET CG . 17611 1 677 . 1 1 55 55 MET CE C 13 16.0 0.2 . 1 . . . A 55 MET CE . 17611 1 678 . 1 1 55 55 MET N N 15 128.3 0.2 . 1 . . . A 55 MET N . 17611 1 679 . 1 1 56 56 GLU H H 1 9.14 0.02 . 1 . . . A 56 GLU H . 17611 1 680 . 1 1 56 56 GLU HA H 1 4.79 0.02 . 1 . . . A 56 GLU HA . 17611 1 681 . 1 1 56 56 GLU HB2 H 1 2.01 0.02 . 2 . . . A 56 GLU HB2 . 17611 1 682 . 1 1 56 56 GLU HB3 H 1 1.64 0.02 . 2 . . . A 56 GLU HB3 . 17611 1 683 . 1 1 56 56 GLU HG2 H 1 2.13 0.02 . 2 . . . A 56 GLU HG2 . 17611 1 684 . 1 1 56 56 GLU HG3 H 1 2.13 0.02 . 2 . . . A 56 GLU HG3 . 17611 1 685 . 1 1 56 56 GLU C C 13 175.3 0.2 . 1 . . . A 56 GLU C . 17611 1 686 . 1 1 56 56 GLU CA C 13 54.7 0.2 . 1 . . . A 56 GLU CA . 17611 1 687 . 1 1 56 56 GLU CB C 13 35.1 0.2 . 1 . . . A 56 GLU CB . 17611 1 688 . 1 1 56 56 GLU CG C 13 36.4 0.2 . 1 . . . A 56 GLU CG . 17611 1 689 . 1 1 56 56 GLU N N 15 119.9 0.2 . 1 . . . A 56 GLU N . 17611 1 690 . 1 1 57 57 ALA H H 1 7.42 0.02 . 1 . . . A 57 ALA H . 17611 1 691 . 1 1 57 57 ALA HA H 1 3.19 0.02 . 1 . . . A 57 ALA HA . 17611 1 692 . 1 1 57 57 ALA HB1 H 1 0.86 0.02 . 1 . . . A 57 ALA HB1 . 17611 1 693 . 1 1 57 57 ALA HB2 H 1 0.86 0.02 . 1 . . . A 57 ALA HB2 . 17611 1 694 . 1 1 57 57 ALA HB3 H 1 0.86 0.02 . 1 . . . A 57 ALA HB3 . 17611 1 695 . 1 1 57 57 ALA C C 13 180.5 0.2 . 1 . . . A 57 ALA C . 17611 1 696 . 1 1 57 57 ALA CA C 13 51.4 0.2 . 1 . . . A 57 ALA CA . 17611 1 697 . 1 1 57 57 ALA CB C 13 18.9 0.2 . 1 . . . A 57 ALA CB . 17611 1 698 . 1 1 57 57 ALA N N 15 124.8 0.2 . 1 . . . A 57 ALA N . 17611 1 699 . 1 1 58 58 LYS H H 1 8.78 0.02 . 1 . . . A 58 LYS H . 17611 1 700 . 1 1 58 58 LYS HA H 1 3.38 0.02 . 1 . . . A 58 LYS HA . 17611 1 701 . 1 1 58 58 LYS HB2 H 1 1.57 0.02 . 2 . . . A 58 LYS HB2 . 17611 1 702 . 1 1 58 58 LYS HB3 H 1 1.41 0.02 . 2 . . . A 58 LYS HB3 . 17611 1 703 . 1 1 58 58 LYS HG2 H 1 0.62 0.02 . 2 . . . A 58 LYS HG2 . 17611 1 704 . 1 1 58 58 LYS HG3 H 1 0.05 0.02 . 2 . . . A 58 LYS HG3 . 17611 1 705 . 1 1 58 58 LYS HD2 H 1 1.48 0.02 . 2 . . . A 58 LYS HD2 . 17611 1 706 . 1 1 58 58 LYS HD3 H 1 1.38 0.02 . 2 . . . A 58 LYS HD3 . 17611 1 707 . 1 1 58 58 LYS HE2 H 1 2.61 0.02 . 2 . . . A 58 LYS HE2 . 17611 1 708 . 1 1 58 58 LYS HE3 H 1 2.61 0.02 . 2 . . . A 58 LYS HE3 . 17611 1 709 . 1 1 58 58 LYS C C 13 176.8 0.2 . 1 . . . A 58 LYS C . 17611 1 710 . 1 1 58 58 LYS CA C 13 59.8 0.2 . 1 . . . A 58 LYS CA . 17611 1 711 . 1 1 58 58 LYS CB C 13 32.2 0.2 . 1 . . . A 58 LYS CB . 17611 1 712 . 1 1 58 58 LYS CG C 13 26.6 0.2 . 1 . . . A 58 LYS CG . 17611 1 713 . 1 1 58 58 LYS CD C 13 29.4 0.2 . 1 . . . A 58 LYS CD . 17611 1 714 . 1 1 58 58 LYS CE C 13 42.0 0.2 . 1 . . . A 58 LYS CE . 17611 1 715 . 1 1 58 58 LYS N N 15 125.7 0.2 . 1 . . . A 58 LYS N . 17611 1 716 . 1 1 59 59 ASP H H 1 7.96 0.02 . 1 . . . A 59 ASP H . 17611 1 717 . 1 1 59 59 ASP HA H 1 4.39 0.02 . 1 . . . A 59 ASP HA . 17611 1 718 . 1 1 59 59 ASP HB2 H 1 3.04 0.02 . 2 . . . A 59 ASP HB2 . 17611 1 719 . 1 1 59 59 ASP HB3 H 1 2.50 0.02 . 2 . . . A 59 ASP HB3 . 17611 1 720 . 1 1 59 59 ASP C C 13 177.7 0.2 . 1 . . . A 59 ASP C . 17611 1 721 . 1 1 59 59 ASP CA C 13 53.3 0.2 . 1 . . . A 59 ASP CA . 17611 1 722 . 1 1 59 59 ASP CB C 13 39.5 0.2 . 1 . . . A 59 ASP CB . 17611 1 723 . 1 1 59 59 ASP N N 15 115.50 0.2 . 1 . . . A 59 ASP N . 17611 1 724 . 1 1 60 60 GLY H H 1 8.03 0.02 . 1 . . . A 60 GLY H . 17611 1 725 . 1 1 60 60 GLY HA2 H 1 4.07 0.02 . 2 . . . A 60 GLY HA2 . 17611 1 726 . 1 1 60 60 GLY HA3 H 1 3.71 0.02 . 2 . . . A 60 GLY HA3 . 17611 1 727 . 1 1 60 60 GLY C C 13 175.8 0.2 . 1 . . . A 60 GLY C . 17611 1 728 . 1 1 60 60 GLY CA C 13 45.6 0.2 . 1 . . . A 60 GLY CA . 17611 1 729 . 1 1 60 60 GLY N N 15 107.7 0.2 . 1 . . . A 60 GLY N . 17611 1 730 . 1 1 61 61 SER H H 1 8.27 0.02 . 1 . . . A 61 SER H . 17611 1 731 . 1 1 61 61 SER HA H 1 3.95 0.02 . 1 . . . A 61 SER HA . 17611 1 732 . 1 1 61 61 SER HB2 H 1 3.80 0.02 . 2 . . . A 61 SER HB2 . 17611 1 733 . 1 1 61 61 SER HB3 H 1 3.76 0.02 . 2 . . . A 61 SER HB3 . 17611 1 734 . 1 1 61 61 SER C C 13 174.3 0.2 . 1 . . . A 61 SER C . 17611 1 735 . 1 1 61 61 SER CA C 13 60.9 0.2 . 1 . . . A 61 SER CA . 17611 1 736 . 1 1 61 61 SER CB C 13 63.4 0.2 . 1 . . . A 61 SER CB . 17611 1 737 . 1 1 61 61 SER N N 15 115.0 0.2 . 1 . . . A 61 SER N . 17611 1 738 . 1 1 62 62 MET H H 1 6.93 0.02 . 1 . . . A 62 MET H . 17611 1 739 . 1 1 62 62 MET HA H 1 4.72 0.02 . 1 . . . A 62 MET HA . 17611 1 740 . 1 1 62 62 MET HB2 H 1 2.22 0.02 . 2 . . . A 62 MET HB2 . 17611 1 741 . 1 1 62 62 MET HB3 H 1 2.06 0.02 . 2 . . . A 62 MET HB3 . 17611 1 742 . 1 1 62 62 MET HG2 H 1 2.66 0.02 . 2 . . . A 62 MET HG2 . 17611 1 743 . 1 1 62 62 MET HG3 H 1 2.54 0.02 . 2 . . . A 62 MET HG3 . 17611 1 744 . 1 1 62 62 MET HE1 H 1 2.23 0.02 . 1 . . . A 62 MET HE1 . 17611 1 745 . 1 1 62 62 MET HE2 H 1 2.23 0.02 . 1 . . . A 62 MET HE2 . 17611 1 746 . 1 1 62 62 MET HE3 H 1 2.23 0.02 . 1 . . . A 62 MET HE3 . 17611 1 747 . 1 1 62 62 MET C C 13 173.9 0.2 . 1 . . . A 62 MET C . 17611 1 748 . 1 1 62 62 MET CA C 13 54.9 0.2 . 1 . . . A 62 MET CA . 17611 1 749 . 1 1 62 62 MET CB C 13 36.2 0.2 . 1 . . . A 62 MET CB . 17611 1 750 . 1 1 62 62 MET CG C 13 31.6 0.2 . 1 . . . A 62 MET CG . 17611 1 751 . 1 1 62 62 MET CE C 13 17.1 0.2 . 1 . . . A 62 MET CE . 17611 1 752 . 1 1 62 62 MET N N 15 117.3 0.2 . 1 . . . A 62 MET N . 17611 1 753 . 1 1 63 63 GLY H H 1 8.23 0.02 . 1 . . . A 63 GLY H . 17611 1 754 . 1 1 63 63 GLY HA2 H 1 4.75 0.02 . 2 . . . A 63 GLY HA2 . 17611 1 755 . 1 1 63 63 GLY HA3 H 1 4.02 0.02 . 2 . . . A 63 GLY HA3 . 17611 1 756 . 1 1 63 63 GLY C C 13 171.0 0.2 . 1 . . . A 63 GLY C . 17611 1 757 . 1 1 63 63 GLY CA C 13 46.5 0.2 . 1 . . . A 63 GLY CA . 17611 1 758 . 1 1 63 63 GLY N N 15 108.7 0.2 . 1 . . . A 63 GLY N . 17611 1 759 . 1 1 64 64 PHE H H 1 9.26 0.02 . 1 . . . A 64 PHE H . 17611 1 760 . 1 1 64 64 PHE HA H 1 4.90 0.02 . 1 . . . A 64 PHE HA . 17611 1 761 . 1 1 64 64 PHE HB2 H 1 3.24 0.02 . 2 . . . A 64 PHE HB2 . 17611 1 762 . 1 1 64 64 PHE HB3 H 1 3.04 0.02 . 2 . . . A 64 PHE HB3 . 17611 1 763 . 1 1 64 64 PHE HD1 H 1 7.10 0.02 . 3 . . . A 64 PHE HD1 . 17611 1 764 . 1 1 64 64 PHE HD2 H 1 7.10 0.02 . 3 . . . A 64 PHE HD2 . 17611 1 765 . 1 1 64 64 PHE HE1 H 1 7.03 0.02 . 3 . . . A 64 PHE HE1 . 17611 1 766 . 1 1 64 64 PHE HE2 H 1 7.03 0.02 . 3 . . . A 64 PHE HE2 . 17611 1 767 . 1 1 64 64 PHE HZ H 1 7.03 0.02 . 1 . . . A 64 PHE HZ . 17611 1 768 . 1 1 64 64 PHE C C 13 172.6 0.2 . 1 . . . A 64 PHE C . 17611 1 769 . 1 1 64 64 PHE CA C 13 57.0 0.2 . 1 . . . A 64 PHE CA . 17611 1 770 . 1 1 64 64 PHE CB C 13 41.6 0.2 . 1 . . . A 64 PHE CB . 17611 1 771 . 1 1 64 64 PHE CD1 C 13 132.3 0.2 . 3 . . . A 64 PHE CD1 . 17611 1 772 . 1 1 64 64 PHE CD2 C 13 132.3 0.2 . 3 . . . A 64 PHE CD2 . 17611 1 773 . 1 1 64 64 PHE CE1 C 13 130.0 0.2 . 3 . . . A 64 PHE CE1 . 17611 1 774 . 1 1 64 64 PHE CE2 C 13 130.0 0.2 . 3 . . . A 64 PHE CE2 . 17611 1 775 . 1 1 64 64 PHE CZ C 13 130.0 0.2 . 1 . . . A 64 PHE CZ . 17611 1 776 . 1 1 64 64 PHE N N 15 117.0 0.2 . 1 . . . A 64 PHE N . 17611 1 777 . 1 1 65 65 ASP H H 1 8.63 0.02 . 1 . . . A 65 ASP H . 17611 1 778 . 1 1 65 65 ASP HA H 1 5.27 0.02 . 1 . . . A 65 ASP HA . 17611 1 779 . 1 1 65 65 ASP HB2 H 1 2.53 0.02 . 2 . . . A 65 ASP HB2 . 17611 1 780 . 1 1 65 65 ASP HB3 H 1 2.44 0.02 . 2 . . . A 65 ASP HB3 . 17611 1 781 . 1 1 65 65 ASP C C 13 175.0 0.2 . 1 . . . A 65 ASP C . 17611 1 782 . 1 1 65 65 ASP CA C 13 53.5 0.2 . 1 . . . A 65 ASP CA . 17611 1 783 . 1 1 65 65 ASP CB C 13 42.4 0.2 . 1 . . . A 65 ASP CB . 17611 1 784 . 1 1 65 65 ASP N N 15 120.40 0.2 . 1 . . . A 65 ASP N . 17611 1 785 . 1 1 66 66 PHE H H 1 9.04 0.02 . 1 . . . A 66 PHE H . 17611 1 786 . 1 1 66 66 PHE HA H 1 4.96 0.02 . 1 . . . A 66 PHE HA . 17611 1 787 . 1 1 66 66 PHE HB2 H 1 3.08 0.02 . 2 . . . A 66 PHE HB2 . 17611 1 788 . 1 1 66 66 PHE HB3 H 1 2.97 0.02 . 2 . . . A 66 PHE HB3 . 17611 1 789 . 1 1 66 66 PHE HD1 H 1 7.14 0.02 . 3 . . . A 66 PHE HD1 . 17611 1 790 . 1 1 66 66 PHE HD2 H 1 7.14 0.02 . 3 . . . A 66 PHE HD2 . 17611 1 791 . 1 1 66 66 PHE HE1 H 1 6.82 0.02 . 3 . . . A 66 PHE HE1 . 17611 1 792 . 1 1 66 66 PHE HE2 H 1 6.82 0.02 . 3 . . . A 66 PHE HE2 . 17611 1 793 . 1 1 66 66 PHE HZ H 1 6.83 0.02 . 1 . . . A 66 PHE HZ . 17611 1 794 . 1 1 66 66 PHE C C 13 172.9 0.2 . 1 . . . A 66 PHE C . 17611 1 795 . 1 1 66 66 PHE CA C 13 56.2 0.2 . 1 . . . A 66 PHE CA . 17611 1 796 . 1 1 66 66 PHE CB C 13 40.4 0.2 . 1 . . . A 66 PHE CB . 17611 1 797 . 1 1 66 66 PHE CD1 C 13 131.5 0.2 . 3 . . . A 66 PHE CD1 . 17611 1 798 . 1 1 66 66 PHE CD2 C 13 131.5 0.2 . 3 . . . A 66 PHE CD2 . 17611 1 799 . 1 1 66 66 PHE CE1 C 13 132.0 0.2 . 3 . . . A 66 PHE CE1 . 17611 1 800 . 1 1 66 66 PHE CE2 C 13 132.0 0.2 . 3 . . . A 66 PHE CE2 . 17611 1 801 . 1 1 66 66 PHE CZ C 13 129.7 0.2 . 1 . . . A 66 PHE CZ . 17611 1 802 . 1 1 66 66 PHE N N 15 126.3 0.2 . 1 . . . A 66 PHE N . 17611 1 803 . 1 1 67 67 ALA H H 1 7.86 0.02 . 1 . . . A 67 ALA H . 17611 1 804 . 1 1 67 67 ALA HA H 1 4.40 0.02 . 1 . . . A 67 ALA HA . 17611 1 805 . 1 1 67 67 ALA HB1 H 1 1.21 0.02 . 1 . . . A 67 ALA HB1 . 17611 1 806 . 1 1 67 67 ALA HB2 H 1 1.21 0.02 . 1 . . . A 67 ALA HB2 . 17611 1 807 . 1 1 67 67 ALA HB3 H 1 1.21 0.02 . 1 . . . A 67 ALA HB3 . 17611 1 808 . 1 1 67 67 ALA C C 13 175.3 0.2 . 1 . . . A 67 ALA C . 17611 1 809 . 1 1 67 67 ALA CA C 13 50.8 0.2 . 1 . . . A 67 ALA CA . 17611 1 810 . 1 1 67 67 ALA CB C 13 22.4 0.2 . 1 . . . A 67 ALA CB . 17611 1 811 . 1 1 67 67 ALA N N 15 128.9 0.2 . 1 . . . A 67 ALA N . 17611 1 812 . 1 1 68 68 GLY H H 1 6.37 0.02 . 1 . . . A 68 GLY H . 17611 1 813 . 1 1 68 68 GLY HA2 H 1 4.17 0.02 . 2 . . . A 68 GLY HA2 . 17611 1 814 . 1 1 68 68 GLY HA3 H 1 3.67 0.02 . 2 . . . A 68 GLY HA3 . 17611 1 815 . 1 1 68 68 GLY C C 13 172.2 0.2 . 1 . . . A 68 GLY C . 17611 1 816 . 1 1 68 68 GLY CA C 13 45.8 0.2 . 1 . . . A 68 GLY CA . 17611 1 817 . 1 1 68 68 GLY N N 15 105.9 0.2 . 1 . . . A 68 GLY N . 17611 1 818 . 1 1 69 69 THR H H 1 8.64 0.02 . 1 . . . A 69 THR H . 17611 1 819 . 1 1 69 69 THR HA H 1 5.11 0.02 . 1 . . . A 69 THR HA . 17611 1 820 . 1 1 69 69 THR HB H 1 3.89 0.02 . 1 . . . A 69 THR HB . 17611 1 821 . 1 1 69 69 THR HG21 H 1 1.16 0.02 . 1 . . . A 69 THR HG21 . 17611 1 822 . 1 1 69 69 THR HG22 H 1 1.16 0.02 . 1 . . . A 69 THR HG22 . 17611 1 823 . 1 1 69 69 THR HG23 H 1 1.16 0.02 . 1 . . . A 69 THR HG23 . 17611 1 824 . 1 1 69 69 THR C C 13 174.5 0.2 . 1 . . . A 69 THR C . 17611 1 825 . 1 1 69 69 THR CA C 13 60.2 0.2 . 1 . . . A 69 THR CA . 17611 1 826 . 1 1 69 69 THR CB C 13 72.4 0.2 . 1 . . . A 69 THR CB . 17611 1 827 . 1 1 69 69 THR CG2 C 13 21.2 0.2 . 1 . . . A 69 THR CG2 . 17611 1 828 . 1 1 69 69 THR N N 15 114.5 0.2 . 1 . . . A 69 THR N . 17611 1 829 . 1 1 70 70 TYR H H 1 9.25 0.02 . 1 . . . A 70 TYR H . 17611 1 830 . 1 1 70 70 TYR HA H 1 5.05 0.02 . 1 . . . A 70 TYR HA . 17611 1 831 . 1 1 70 70 TYR HB2 H 1 3.58 0.02 . 2 . . . A 70 TYR HB2 . 17611 1 832 . 1 1 70 70 TYR HB3 H 1 2.89 0.02 . 2 . . . A 70 TYR HB3 . 17611 1 833 . 1 1 70 70 TYR HD1 H 1 7.34 0.02 . 3 . . . A 70 TYR HD1 . 17611 1 834 . 1 1 70 70 TYR HD2 H 1 7.34 0.02 . 3 . . . A 70 TYR HD2 . 17611 1 835 . 1 1 70 70 TYR HE1 H 1 6.33 0.02 . 3 . . . A 70 TYR HE1 . 17611 1 836 . 1 1 70 70 TYR HE2 H 1 6.33 0.02 . 3 . . . A 70 TYR HE2 . 17611 1 837 . 1 1 70 70 TYR C C 13 177.5 0.2 . 1 . . . A 70 TYR C . 17611 1 838 . 1 1 70 70 TYR CA C 13 59.8 0.2 . 1 . . . A 70 TYR CA . 17611 1 839 . 1 1 70 70 TYR CB C 13 38.6 0.2 . 1 . . . A 70 TYR CB . 17611 1 840 . 1 1 70 70 TYR CD1 C 13 133.6 0.2 . 3 . . . A 70 TYR CD1 . 17611 1 841 . 1 1 70 70 TYR CD2 C 13 133.6 0.2 . 3 . . . A 70 TYR CD2 . 17611 1 842 . 1 1 70 70 TYR CE1 C 13 118.2 0.2 . 3 . . . A 70 TYR CE1 . 17611 1 843 . 1 1 70 70 TYR CE2 C 13 118.2 0.2 . 3 . . . A 70 TYR CE2 . 17611 1 844 . 1 1 70 70 TYR N N 15 124.3 0.2 . 1 . . . A 70 TYR N . 17611 1 845 . 1 1 71 71 THR H H 1 9.70 0.02 . 1 . . . A 71 THR H . 17611 1 846 . 1 1 71 71 THR HA H 1 4.69 0.02 . 1 . . . A 71 THR HA . 17611 1 847 . 1 1 71 71 THR HB H 1 4.35 0.02 . 1 . . . A 71 THR HB . 17611 1 848 . 1 1 71 71 THR HG21 H 1 1.30 0.02 . 1 . . . A 71 THR HG21 . 17611 1 849 . 1 1 71 71 THR HG22 H 1 1.30 0.02 . 1 . . . A 71 THR HG22 . 17611 1 850 . 1 1 71 71 THR HG23 H 1 1.30 0.02 . 1 . . . A 71 THR HG23 . 17611 1 851 . 1 1 71 71 THR C C 13 175.4 0.2 . 1 . . . A 71 THR C . 17611 1 852 . 1 1 71 71 THR CA C 13 62.0 0.2 . 1 . . . A 71 THR CA . 17611 1 853 . 1 1 71 71 THR CB C 13 69.0 0.2 . 1 . . . A 71 THR CB . 17611 1 854 . 1 1 71 71 THR CG2 C 13 22.0 0.2 . 1 . . . A 71 THR CG2 . 17611 1 855 . 1 1 71 71 THR N N 15 117.0 0.2 . 1 . . . A 71 THR N . 17611 1 856 . 1 1 72 72 LYS H H 1 7.81 0.02 . 1 . . . A 72 LYS H . 17611 1 857 . 1 1 72 72 LYS HA H 1 4.73 0.02 . 1 . . . A 72 LYS HA . 17611 1 858 . 1 1 72 72 LYS HB2 H 1 1.94 0.02 . 2 . . . A 72 LYS HB2 . 17611 1 859 . 1 1 72 72 LYS HB3 H 1 1.58 0.02 . 2 . . . A 72 LYS HB3 . 17611 1 860 . 1 1 72 72 LYS HG2 H 1 1.38 0.02 . 2 . . . A 72 LYS HG2 . 17611 1 861 . 1 1 72 72 LYS HG3 H 1 1.38 0.02 . 2 . . . A 72 LYS HG3 . 17611 1 862 . 1 1 72 72 LYS HD2 H 1 1.81 0.02 . 2 . . . A 72 LYS HD2 . 17611 1 863 . 1 1 72 72 LYS HD3 H 1 1.70 0.02 . 2 . . . A 72 LYS HD3 . 17611 1 864 . 1 1 72 72 LYS HE2 H 1 2.97 0.02 . 2 . . . A 72 LYS HE2 . 17611 1 865 . 1 1 72 72 LYS HE3 H 1 2.93 0.02 . 2 . . . A 72 LYS HE3 . 17611 1 866 . 1 1 72 72 LYS C C 13 174.6 0.2 . 1 . . . A 72 LYS C . 17611 1 867 . 1 1 72 72 LYS CA C 13 56.4 0.2 . 1 . . . A 72 LYS CA . 17611 1 868 . 1 1 72 72 LYS CB C 13 35.4 0.2 . 1 . . . A 72 LYS CB . 17611 1 869 . 1 1 72 72 LYS CG C 13 24.5 0.2 . 1 . . . A 72 LYS CG . 17611 1 870 . 1 1 72 72 LYS CD C 13 28.4 0.2 . 1 . . . A 72 LYS CD . 17611 1 871 . 1 1 72 72 LYS CE C 13 41.6 0.2 . 1 . . . A 72 LYS CE . 17611 1 872 . 1 1 72 72 LYS N N 15 122.1 0.2 . 1 . . . A 72 LYS N . 17611 1 873 . 1 1 73 73 VAL H H 1 9.54 0.02 . 1 . . . A 73 VAL H . 17611 1 874 . 1 1 73 73 VAL HA H 1 4.67 0.02 . 1 . . . A 73 VAL HA . 17611 1 875 . 1 1 73 73 VAL HB H 1 2.08 0.02 . 1 . . . A 73 VAL HB . 17611 1 876 . 1 1 73 73 VAL HG11 H 1 1.03 0.02 . 1 . . . A 73 VAL HG11 . 17611 1 877 . 1 1 73 73 VAL HG12 H 1 1.03 0.02 . 1 . . . A 73 VAL HG12 . 17611 1 878 . 1 1 73 73 VAL HG13 H 1 1.03 0.02 . 1 . . . A 73 VAL HG13 . 17611 1 879 . 1 1 73 73 VAL HG21 H 1 0.67 0.02 . 1 . . . A 73 VAL HG21 . 17611 1 880 . 1 1 73 73 VAL HG22 H 1 0.67 0.02 . 1 . . . A 73 VAL HG22 . 17611 1 881 . 1 1 73 73 VAL HG23 H 1 0.67 0.02 . 1 . . . A 73 VAL HG23 . 17611 1 882 . 1 1 73 73 VAL C C 13 174.5 0.2 . 1 . . . A 73 VAL C . 17611 1 883 . 1 1 73 73 VAL CA C 13 62.7 0.2 . 1 . . . A 73 VAL CA . 17611 1 884 . 1 1 73 73 VAL CB C 13 35.3 0.2 . 1 . . . A 73 VAL CB . 17611 1 885 . 1 1 73 73 VAL CG1 C 13 21.6 0.2 . 1 . . . A 73 VAL CG1 . 17611 1 886 . 1 1 73 73 VAL CG2 C 13 21.0 0.2 . 1 . . . A 73 VAL CG2 . 17611 1 887 . 1 1 73 73 VAL N N 15 126.6 0.2 . 1 . . . A 73 VAL N . 17611 1 888 . 1 1 74 74 VAL H H 1 9.50 0.02 . 1 . . . A 74 VAL H . 17611 1 889 . 1 1 74 74 VAL HA H 1 4.30 0.02 . 1 . . . A 74 VAL HA . 17611 1 890 . 1 1 74 74 VAL HB H 1 2.08 0.02 . 1 . . . A 74 VAL HB . 17611 1 891 . 1 1 74 74 VAL HG11 H 1 0.94 0.02 . 1 . . . A 74 VAL HG11 . 17611 1 892 . 1 1 74 74 VAL HG12 H 1 0.94 0.02 . 1 . . . A 74 VAL HG12 . 17611 1 893 . 1 1 74 74 VAL HG13 H 1 0.94 0.02 . 1 . . . A 74 VAL HG13 . 17611 1 894 . 1 1 74 74 VAL HG21 H 1 0.91 0.02 . 1 . . . A 74 VAL HG21 . 17611 1 895 . 1 1 74 74 VAL HG22 H 1 0.91 0.02 . 1 . . . A 74 VAL HG22 . 17611 1 896 . 1 1 74 74 VAL HG23 H 1 0.91 0.02 . 1 . . . A 74 VAL HG23 . 17611 1 897 . 1 1 74 74 VAL C C 13 174.8 0.2 . 1 . . . A 74 VAL C . 17611 1 898 . 1 1 74 74 VAL CA C 13 61.1 0.2 . 1 . . . A 74 VAL CA . 17611 1 899 . 1 1 74 74 VAL CB C 13 32.9 0.2 . 1 . . . A 74 VAL CB . 17611 1 900 . 1 1 74 74 VAL CG1 C 13 19.5 0.2 . 1 . . . A 74 VAL CG1 . 17611 1 901 . 1 1 74 74 VAL CG2 C 13 21.5 0.2 . 1 . . . A 74 VAL CG2 . 17611 1 902 . 1 1 74 74 VAL N N 15 128.6 0.2 . 1 . . . A 74 VAL N . 17611 1 903 . 1 1 75 75 GLU H H 1 8.81 0.02 . 1 . . . A 75 GLU H . 17611 1 904 . 1 1 75 75 GLU HA H 1 2.54 0.02 . 1 . . . A 75 GLU HA . 17611 1 905 . 1 1 75 75 GLU HB2 H 1 1.68 0.02 . 2 . . . A 75 GLU HB2 . 17611 1 906 . 1 1 75 75 GLU HB3 H 1 1.43 0.02 . 2 . . . A 75 GLU HB3 . 17611 1 907 . 1 1 75 75 GLU HG2 H 1 1.42 0.02 . 2 . . . A 75 GLU HG2 . 17611 1 908 . 1 1 75 75 GLU HG3 H 1 1.25 0.02 . 2 . . . A 75 GLU HG3 . 17611 1 909 . 1 1 75 75 GLU C C 13 174.8 0.2 . 1 . . . A 75 GLU C . 17611 1 910 . 1 1 75 75 GLU CA C 13 59.0 0.2 . 1 . . . A 75 GLU CA . 17611 1 911 . 1 1 75 75 GLU CB C 13 28.9 0.2 . 1 . . . A 75 GLU CB . 17611 1 912 . 1 1 75 75 GLU CG C 13 35.2 0.2 . 1 . . . A 75 GLU CG . 17611 1 913 . 1 1 75 75 GLU N N 15 128.8 0.2 . 1 . . . A 75 GLU N . 17611 1 914 . 1 1 76 76 ASN H H 1 3.39 0.02 . 1 . . . A 76 ASN H . 17611 1 915 . 1 1 76 76 ASN HA H 1 3.14 0.02 . 1 . . . A 76 ASN HA . 17611 1 916 . 1 1 76 76 ASN HB2 H 1 2.96 0.02 . 2 . . . A 76 ASN HB2 . 17611 1 917 . 1 1 76 76 ASN HB3 H 1 2.68 0.02 . 2 . . . A 76 ASN HB3 . 17611 1 918 . 1 1 76 76 ASN HD21 H 1 6.05 0.02 . 1 . . . A 76 ASN HD21 . 17611 1 919 . 1 1 76 76 ASN HD22 H 1 6.97 0.02 . 1 . . . A 76 ASN HD22 . 17611 1 920 . 1 1 76 76 ASN C C 13 172.5 0.2 . 1 . . . A 76 ASN C . 17611 1 921 . 1 1 76 76 ASN CA C 13 54.7 0.2 . 1 . . . A 76 ASN CA . 17611 1 922 . 1 1 76 76 ASN CB C 13 36.5 0.2 . 1 . . . A 76 ASN CB . 17611 1 923 . 1 1 76 76 ASN CG C 13 175.6 0.2 . 1 . . . A 76 ASN CG . 17611 1 924 . 1 1 76 76 ASN N N 15 114.0 0.2 . 1 . . . A 76 ASN N . 17611 1 925 . 1 1 76 76 ASN ND2 N 15 107.3 0.2 . 1 . . . A 76 ASN ND2 . 17611 1 926 . 1 1 77 77 LYS H H 1 7.91 0.02 . 1 . . . A 77 LYS H . 17611 1 927 . 1 1 77 77 LYS HA H 1 5.12 0.02 . 1 . . . A 77 LYS HA . 17611 1 928 . 1 1 77 77 LYS HB2 H 1 1.82 0.02 . 2 . . . A 77 LYS HB2 . 17611 1 929 . 1 1 77 77 LYS HB3 H 1 1.46 0.02 . 2 . . . A 77 LYS HB3 . 17611 1 930 . 1 1 77 77 LYS HG2 H 1 1.40 0.02 . 2 . . . A 77 LYS HG2 . 17611 1 931 . 1 1 77 77 LYS HG3 H 1 1.40 0.02 . 2 . . . A 77 LYS HG3 . 17611 1 932 . 1 1 77 77 LYS HD2 H 1 1.77 0.02 . 2 . . . A 77 LYS HD2 . 17611 1 933 . 1 1 77 77 LYS HD3 H 1 1.65 0.02 . 2 . . . A 77 LYS HD3 . 17611 1 934 . 1 1 77 77 LYS HE2 H 1 3.00 0.02 . 2 . . . A 77 LYS HE2 . 17611 1 935 . 1 1 77 77 LYS HE3 H 1 3.00 0.02 . 2 . . . A 77 LYS HE3 . 17611 1 936 . 1 1 77 77 LYS C C 13 177.0 0.2 . 1 . . . A 77 LYS C . 17611 1 937 . 1 1 77 77 LYS CA C 13 58.4 0.2 . 1 . . . A 77 LYS CA . 17611 1 938 . 1 1 77 77 LYS CB C 13 36.7 0.2 . 1 . . . A 77 LYS CB . 17611 1 939 . 1 1 77 77 LYS CG C 13 24.7 0.2 . 1 . . . A 77 LYS CG . 17611 1 940 . 1 1 77 77 LYS CD C 13 28.6 0.2 . 1 . . . A 77 LYS CD . 17611 1 941 . 1 1 77 77 LYS CE C 13 42.1 0.2 . 1 . . . A 77 LYS CE . 17611 1 942 . 1 1 77 77 LYS N N 15 114.5 0.2 . 1 . . . A 77 LYS N . 17611 1 943 . 1 1 78 78 ARG H H 1 9.24 0.02 . 1 . . . A 78 ARG H . 17611 1 944 . 1 1 78 78 ARG HA H 1 5.87 0.02 . 1 . . . A 78 ARG HA . 17611 1 945 . 1 1 78 78 ARG HB2 H 1 1.97 0.02 . 2 . . . A 78 ARG HB2 . 17611 1 946 . 1 1 78 78 ARG HB3 H 1 1.83 0.02 . 2 . . . A 78 ARG HB3 . 17611 1 947 . 1 1 78 78 ARG HG2 H 1 1.56 0.02 . 2 . . . A 78 ARG HG2 . 17611 1 948 . 1 1 78 78 ARG HG3 H 1 1.56 0.02 . 2 . . . A 78 ARG HG3 . 17611 1 949 . 1 1 78 78 ARG HD2 H 1 3.35 0.02 . 2 . . . A 78 ARG HD2 . 17611 1 950 . 1 1 78 78 ARG HD3 H 1 3.25 0.02 . 2 . . . A 78 ARG HD3 . 17611 1 951 . 1 1 78 78 ARG HE H 1 7.35 0.02 . 1 . . . A 78 ARG HE . 17611 1 952 . 1 1 78 78 ARG C C 13 173.7 0.2 . 1 . . . A 78 ARG C . 17611 1 953 . 1 1 78 78 ARG CA C 13 56.0 0.2 . 1 . . . A 78 ARG CA . 17611 1 954 . 1 1 78 78 ARG CB C 13 34.8 0.2 . 1 . . . A 78 ARG CB . 17611 1 955 . 1 1 78 78 ARG CG C 13 28.0 0.2 . 1 . . . A 78 ARG CG . 17611 1 956 . 1 1 78 78 ARG CD C 13 43.6 0.2 . 1 . . . A 78 ARG CD . 17611 1 957 . 1 1 78 78 ARG CZ C 13 159.7 0.2 . 1 . . . A 78 ARG CZ . 17611 1 958 . 1 1 78 78 ARG N N 15 121.0 0.2 . 1 . . . A 78 ARG N . 17611 1 959 . 1 1 78 78 ARG NE N 15 84.5 0.2 . 1 . . . A 78 ARG NE . 17611 1 960 . 1 1 79 79 ILE H H 1 9.52 0.02 . 1 . . . A 79 ILE H . 17611 1 961 . 1 1 79 79 ILE HA H 1 4.95 0.02 . 1 . . . A 79 ILE HA . 17611 1 962 . 1 1 79 79 ILE HB H 1 1.72 0.02 . 1 . . . A 79 ILE HB . 17611 1 963 . 1 1 79 79 ILE HG12 H 1 1.95 0.02 . 2 . . . A 79 ILE HG12 . 17611 1 964 . 1 1 79 79 ILE HG13 H 1 0.95 0.02 . 2 . . . A 79 ILE HG13 . 17611 1 965 . 1 1 79 79 ILE HG21 H 1 1.23 0.02 . 1 . . . A 79 ILE HG21 . 17611 1 966 . 1 1 79 79 ILE HG22 H 1 1.23 0.02 . 1 . . . A 79 ILE HG22 . 17611 1 967 . 1 1 79 79 ILE HG23 H 1 1.23 0.02 . 1 . . . A 79 ILE HG23 . 17611 1 968 . 1 1 79 79 ILE HD11 H 1 0.36 0.02 . 1 . . . A 79 ILE HD11 . 17611 1 969 . 1 1 79 79 ILE HD12 H 1 0.36 0.02 . 1 . . . A 79 ILE HD12 . 17611 1 970 . 1 1 79 79 ILE HD13 H 1 0.36 0.02 . 1 . . . A 79 ILE HD13 . 17611 1 971 . 1 1 79 79 ILE C C 13 174.7 0.2 . 1 . . . A 79 ILE C . 17611 1 972 . 1 1 79 79 ILE CA C 13 61.2 0.2 . 1 . . . A 79 ILE CA . 17611 1 973 . 1 1 79 79 ILE CB C 13 43.5 0.2 . 1 . . . A 79 ILE CB . 17611 1 974 . 1 1 79 79 ILE CG1 C 13 29.8 0.2 . 1 . . . A 79 ILE CG1 . 17611 1 975 . 1 1 79 79 ILE CG2 C 13 19.5 0.2 . 1 . . . A 79 ILE CG2 . 17611 1 976 . 1 1 79 79 ILE CD1 C 13 14.2 0.2 . 1 . . . A 79 ILE CD1 . 17611 1 977 . 1 1 79 79 ILE N N 15 125.2 0.2 . 1 . . . A 79 ILE N . 17611 1 978 . 1 1 80 80 GLU H H 1 9.63 0.02 . 1 . . . A 80 GLU H . 17611 1 979 . 1 1 80 80 GLU HA H 1 5.55 0.02 . 1 . . . A 80 GLU HA . 17611 1 980 . 1 1 80 80 GLU HB2 H 1 2.32 0.02 . 2 . . . A 80 GLU HB2 . 17611 1 981 . 1 1 80 80 GLU HB3 H 1 2.09 0.02 . 2 . . . A 80 GLU HB3 . 17611 1 982 . 1 1 80 80 GLU HG2 H 1 2.37 0.02 . 2 . . . A 80 GLU HG2 . 17611 1 983 . 1 1 80 80 GLU HG3 H 1 2.22 0.02 . 2 . . . A 80 GLU HG3 . 17611 1 984 . 1 1 80 80 GLU C C 13 176.2 0.2 . 1 . . . A 80 GLU C . 17611 1 985 . 1 1 80 80 GLU CA C 13 54.9 0.2 . 1 . . . A 80 GLU CA . 17611 1 986 . 1 1 80 80 GLU CB C 13 32.2 0.2 . 1 . . . A 80 GLU CB . 17611 1 987 . 1 1 80 80 GLU CG C 13 37.3 0.2 . 1 . . . A 80 GLU CG . 17611 1 988 . 1 1 80 80 GLU N N 15 125.5 0.2 . 1 . . . A 80 GLU N . 17611 1 989 . 1 1 81 81 TYR H H 1 8.78 0.02 . 1 . . . A 81 TYR H . 17611 1 990 . 1 1 81 81 TYR HA H 1 5.68 0.02 . 1 . . . A 81 TYR HA . 17611 1 991 . 1 1 81 81 TYR HB2 H 1 3.18 0.02 . 2 . . . A 81 TYR HB2 . 17611 1 992 . 1 1 81 81 TYR HB3 H 1 3.05 0.02 . 2 . . . A 81 TYR HB3 . 17611 1 993 . 1 1 81 81 TYR HD1 H 1 6.84 0.02 . 3 . . . A 81 TYR HD1 . 17611 1 994 . 1 1 81 81 TYR HD2 H 1 6.84 0.02 . 3 . . . A 81 TYR HD2 . 17611 1 995 . 1 1 81 81 TYR HE1 H 1 6.46 0.02 . 3 . . . A 81 TYR HE1 . 17611 1 996 . 1 1 81 81 TYR HE2 H 1 6.46 0.02 . 3 . . . A 81 TYR HE2 . 17611 1 997 . 1 1 81 81 TYR C C 13 172.5 0.2 . 1 . . . A 81 TYR C . 17611 1 998 . 1 1 81 81 TYR CA C 13 56.3 0.2 . 1 . . . A 81 TYR CA . 17611 1 999 . 1 1 81 81 TYR CB C 13 42.1 0.2 . 1 . . . A 81 TYR CB . 17611 1 1000 . 1 1 81 81 TYR CD1 C 13 133.6 0.2 . 3 . . . A 81 TYR CD1 . 17611 1 1001 . 1 1 81 81 TYR CD2 C 13 133.6 0.2 . 3 . . . A 81 TYR CD2 . 17611 1 1002 . 1 1 81 81 TYR CE1 C 13 118.7 0.2 . 3 . . . A 81 TYR CE1 . 17611 1 1003 . 1 1 81 81 TYR CE2 C 13 118.7 0.2 . 3 . . . A 81 TYR CE2 . 17611 1 1004 . 1 1 81 81 TYR N N 15 117.8 0.2 . 1 . . . A 81 TYR N . 17611 1 1005 . 1 1 82 82 ALA H H 1 9.22 0.02 . 1 . . . A 82 ALA H . 17611 1 1006 . 1 1 82 82 ALA HA H 1 5.38 0.02 . 1 . . . A 82 ALA HA . 17611 1 1007 . 1 1 82 82 ALA HB1 H 1 1.54 0.02 . 1 . . . A 82 ALA HB1 . 17611 1 1008 . 1 1 82 82 ALA HB2 H 1 1.54 0.02 . 1 . . . A 82 ALA HB2 . 17611 1 1009 . 1 1 82 82 ALA HB3 H 1 1.54 0.02 . 1 . . . A 82 ALA HB3 . 17611 1 1010 . 1 1 82 82 ALA C C 13 176.5 0.2 . 1 . . . A 82 ALA C . 17611 1 1011 . 1 1 82 82 ALA CA C 13 50.7 0.2 . 1 . . . A 82 ALA CA . 17611 1 1012 . 1 1 82 82 ALA CB C 13 22.0 0.2 . 1 . . . A 82 ALA CB . 17611 1 1013 . 1 1 82 82 ALA N N 15 123.5 0.2 . 1 . . . A 82 ALA N . 17611 1 1014 . 1 1 83 83 PHE H H 1 8.68 0.02 . 1 . . . A 83 PHE H . 17611 1 1015 . 1 1 83 83 PHE HA H 1 5.15 0.02 . 1 . . . A 83 PHE HA . 17611 1 1016 . 1 1 83 83 PHE HB2 H 1 3.19 0.02 . 2 . . . A 83 PHE HB2 . 17611 1 1017 . 1 1 83 83 PHE HB3 H 1 3.08 0.02 . 2 . . . A 83 PHE HB3 . 17611 1 1018 . 1 1 83 83 PHE HD1 H 1 7.40 0.02 . 3 . . . A 83 PHE HD1 . 17611 1 1019 . 1 1 83 83 PHE HD2 H 1 7.40 0.02 . 3 . . . A 83 PHE HD2 . 17611 1 1020 . 1 1 83 83 PHE HE1 H 1 7.37 0.02 . 3 . . . A 83 PHE HE1 . 17611 1 1021 . 1 1 83 83 PHE HE2 H 1 7.37 0.02 . 3 . . . A 83 PHE HE2 . 17611 1 1022 . 1 1 83 83 PHE HZ H 1 7.35 0.02 . 1 . . . A 83 PHE HZ . 17611 1 1023 . 1 1 83 83 PHE C C 13 175.4 0.2 . 1 . . . A 83 PHE C . 17611 1 1024 . 1 1 83 83 PHE CA C 13 55.3 0.2 . 1 . . . A 83 PHE CA . 17611 1 1025 . 1 1 83 83 PHE CB C 13 39.8 0.2 . 1 . . . A 83 PHE CB . 17611 1 1026 . 1 1 83 83 PHE CD1 C 13 133.0 0.2 . 3 . . . A 83 PHE CD1 . 17611 1 1027 . 1 1 83 83 PHE CD2 C 13 133.0 0.2 . 3 . . . A 83 PHE CD2 . 17611 1 1028 . 1 1 83 83 PHE CE1 C 13 130.8 0.2 . 3 . . . A 83 PHE CE1 . 17611 1 1029 . 1 1 83 83 PHE CE2 C 13 130.8 0.2 . 3 . . . A 83 PHE CE2 . 17611 1 1030 . 1 1 83 83 PHE CZ C 13 129.0 0.2 . 1 . . . A 83 PHE CZ . 17611 1 1031 . 1 1 83 83 PHE N N 15 120.6 0.2 . 1 . . . A 83 PHE N . 17611 1 1032 . 1 1 84 84 GLY H H 1 9.04 0.02 . 1 . . . A 84 GLY H . 17611 1 1033 . 1 1 84 84 GLY HA2 H 1 3.99 0.02 . 2 . . . A 84 GLY HA2 . 17611 1 1034 . 1 1 84 84 GLY HA3 H 1 3.75 0.02 . 2 . . . A 84 GLY HA3 . 17611 1 1035 . 1 1 84 84 GLY C C 13 174.9 0.2 . 1 . . . A 84 GLY C . 17611 1 1036 . 1 1 84 84 GLY CA C 13 47.3 0.2 . 1 . . . A 84 GLY CA . 17611 1 1037 . 1 1 84 84 GLY N N 15 116.6 0.2 . 1 . . . A 84 GLY N . 17611 1 1038 . 1 1 85 85 ASP H H 1 8.73 0.02 . 1 . . . A 85 ASP H . 17611 1 1039 . 1 1 85 85 ASP HA H 1 4.74 0.02 . 1 . . . A 85 ASP HA . 17611 1 1040 . 1 1 85 85 ASP HB2 H 1 2.76 0.02 . 2 . . . A 85 ASP HB2 . 17611 1 1041 . 1 1 85 85 ASP HB3 H 1 2.76 0.02 . 2 . . . A 85 ASP HB3 . 17611 1 1042 . 1 1 85 85 ASP C C 13 175.6 0.2 . 1 . . . A 85 ASP C . 17611 1 1043 . 1 1 85 85 ASP CA C 13 54.0 0.2 . 1 . . . A 85 ASP CA . 17611 1 1044 . 1 1 85 85 ASP CB C 13 40.4 0.2 . 1 . . . A 85 ASP CB . 17611 1 1045 . 1 1 85 85 ASP N N 15 126.70 0.2 . 1 . . . A 85 ASP N . 17611 1 1046 . 1 1 86 86 ARG H H 1 7.97 0.02 . 1 . . . A 86 ARG H . 17611 1 1047 . 1 1 86 86 ARG HA H 1 4.47 0.02 . 1 . . . A 86 ARG HA . 17611 1 1048 . 1 1 86 86 ARG HB2 H 1 1.55 0.02 . 2 . . . A 86 ARG HB2 . 17611 1 1049 . 1 1 86 86 ARG HB3 H 1 0.85 0.02 . 2 . . . A 86 ARG HB3 . 17611 1 1050 . 1 1 86 86 ARG HG2 H 1 1.72 0.02 . 2 . . . A 86 ARG HG2 . 17611 1 1051 . 1 1 86 86 ARG HG3 H 1 1.39 0.02 . 2 . . . A 86 ARG HG3 . 17611 1 1052 . 1 1 86 86 ARG HD2 H 1 3.40 0.02 . 2 . . . A 86 ARG HD2 . 17611 1 1053 . 1 1 86 86 ARG HD3 H 1 3.07 0.02 . 2 . . . A 86 ARG HD3 . 17611 1 1054 . 1 1 86 86 ARG HE H 1 7.00 0.02 . 1 . . . A 86 ARG HE . 17611 1 1055 . 1 1 86 86 ARG C C 13 175.0 0.2 . 1 . . . A 86 ARG C . 17611 1 1056 . 1 1 86 86 ARG CA C 13 55.5 0.2 . 1 . . . A 86 ARG CA . 17611 1 1057 . 1 1 86 86 ARG CB C 13 34.2 0.2 . 1 . . . A 86 ARG CB . 17611 1 1058 . 1 1 86 86 ARG CG C 13 27.2 0.2 . 1 . . . A 86 ARG CG . 17611 1 1059 . 1 1 86 86 ARG CD C 13 44.1 0.2 . 1 . . . A 86 ARG CD . 17611 1 1060 . 1 1 86 86 ARG CZ C 13 160.0 0.2 . 1 . . . A 86 ARG CZ . 17611 1 1061 . 1 1 86 86 ARG N N 15 119.5 0.2 . 1 . . . A 86 ARG N . 17611 1 1062 . 1 1 86 86 ARG NE N 15 112.8 0.2 . 1 . . . A 86 ARG NE . 17611 1 1063 . 1 1 87 87 THR H H 1 6.72 0.02 . 1 . . . A 87 THR H . 17611 1 1064 . 1 1 87 87 THR HA H 1 5.39 0.02 . 1 . . . A 87 THR HA . 17611 1 1065 . 1 1 87 87 THR HB H 1 4.35 0.02 . 1 . . . A 87 THR HB . 17611 1 1066 . 1 1 87 87 THR HG21 H 1 1.19 0.02 . 1 . . . A 87 THR HG21 . 17611 1 1067 . 1 1 87 87 THR HG22 H 1 1.19 0.02 . 1 . . . A 87 THR HG22 . 17611 1 1068 . 1 1 87 87 THR HG23 H 1 1.19 0.02 . 1 . . . A 87 THR HG23 . 17611 1 1069 . 1 1 87 87 THR C C 13 173.0 0.2 . 1 . . . A 87 THR C . 17611 1 1070 . 1 1 87 87 THR CA C 13 60.0 0.2 . 1 . . . A 87 THR CA . 17611 1 1071 . 1 1 87 87 THR CB C 13 72.9 0.2 . 1 . . . A 87 THR CB . 17611 1 1072 . 1 1 87 87 THR CG2 C 13 22.1 0.2 . 1 . . . A 87 THR CG2 . 17611 1 1073 . 1 1 87 87 THR N N 15 109.1 0.2 . 1 . . . A 87 THR N . 17611 1 1074 . 1 1 88 88 ALA H H 1 8.69 0.02 . 1 . . . A 88 ALA H . 17611 1 1075 . 1 1 88 88 ALA HA H 1 5.22 0.02 . 1 . . . A 88 ALA HA . 17611 1 1076 . 1 1 88 88 ALA HB1 H 1 0.96 0.02 . 1 . . . A 88 ALA HB1 . 17611 1 1077 . 1 1 88 88 ALA HB2 H 1 0.96 0.02 . 1 . . . A 88 ALA HB2 . 17611 1 1078 . 1 1 88 88 ALA HB3 H 1 0.96 0.02 . 1 . . . A 88 ALA HB3 . 17611 1 1079 . 1 1 88 88 ALA C C 13 175.5 0.2 . 1 . . . A 88 ALA C . 17611 1 1080 . 1 1 88 88 ALA CA C 13 51.5 0.2 . 1 . . . A 88 ALA CA . 17611 1 1081 . 1 1 88 88 ALA CB C 13 23.0 0.2 . 1 . . . A 88 ALA CB . 17611 1 1082 . 1 1 88 88 ALA N N 15 121.1 0.2 . 1 . . . A 88 ALA N . 17611 1 1083 . 1 1 89 89 LYS H H 1 8.97 0.02 . 1 . . . A 89 LYS H . 17611 1 1084 . 1 1 89 89 LYS HA H 1 5.08 0.02 . 1 . . . A 89 LYS HA . 17611 1 1085 . 1 1 89 89 LYS HB2 H 1 1.73 0.02 . 2 . . . A 89 LYS HB2 . 17611 1 1086 . 1 1 89 89 LYS HB3 H 1 1.73 0.02 . 2 . . . A 89 LYS HB3 . 17611 1 1087 . 1 1 89 89 LYS HG2 H 1 1.43 0.02 . 2 . . . A 89 LYS HG2 . 17611 1 1088 . 1 1 89 89 LYS HG3 H 1 1.27 0.02 . 2 . . . A 89 LYS HG3 . 17611 1 1089 . 1 1 89 89 LYS HD2 H 1 1.56 0.02 . 2 . . . A 89 LYS HD2 . 17611 1 1090 . 1 1 89 89 LYS HD3 H 1 1.56 0.02 . 2 . . . A 89 LYS HD3 . 17611 1 1091 . 1 1 89 89 LYS HE2 H 1 2.84 0.02 . 2 . . . A 89 LYS HE2 . 17611 1 1092 . 1 1 89 89 LYS HE3 H 1 2.84 0.02 . 2 . . . A 89 LYS HE3 . 17611 1 1093 . 1 1 89 89 LYS C C 13 173.5 0.2 . 1 . . . A 89 LYS C . 17611 1 1094 . 1 1 89 89 LYS CA C 13 55.1 0.2 . 1 . . . A 89 LYS CA . 17611 1 1095 . 1 1 89 89 LYS CB C 13 36.0 0.2 . 1 . . . A 89 LYS CB . 17611 1 1096 . 1 1 89 89 LYS CG C 13 24.7 0.2 . 1 . . . A 89 LYS CG . 17611 1 1097 . 1 1 89 89 LYS CD C 13 29.7 0.2 . 1 . . . A 89 LYS CD . 17611 1 1098 . 1 1 89 89 LYS CE C 13 41.5 0.2 . 1 . . . A 89 LYS CE . 17611 1 1099 . 1 1 89 89 LYS N N 15 120.0 0.2 . 1 . . . A 89 LYS N . 17611 1 1100 . 1 1 90 90 VAL H H 1 9.84 0.02 . 1 . . . A 90 VAL H . 17611 1 1101 . 1 1 90 90 VAL HA H 1 4.79 0.02 . 1 . . . A 90 VAL HA . 17611 1 1102 . 1 1 90 90 VAL HB H 1 2.11 0.02 . 1 . . . A 90 VAL HB . 17611 1 1103 . 1 1 90 90 VAL HG11 H 1 0.08 0.02 . 1 . . . A 90 VAL HG11 . 17611 1 1104 . 1 1 90 90 VAL HG12 H 1 0.08 0.02 . 1 . . . A 90 VAL HG12 . 17611 1 1105 . 1 1 90 90 VAL HG13 H 1 0.08 0.02 . 1 . . . A 90 VAL HG13 . 17611 1 1106 . 1 1 90 90 VAL HG21 H 1 1.04 0.02 . 1 . . . A 90 VAL HG21 . 17611 1 1107 . 1 1 90 90 VAL HG22 H 1 1.04 0.02 . 1 . . . A 90 VAL HG22 . 17611 1 1108 . 1 1 90 90 VAL HG23 H 1 1.04 0.02 . 1 . . . A 90 VAL HG23 . 17611 1 1109 . 1 1 90 90 VAL C C 13 175.2 0.2 . 1 . . . A 90 VAL C . 17611 1 1110 . 1 1 90 90 VAL CA C 13 61.0 0.2 . 1 . . . A 90 VAL CA . 17611 1 1111 . 1 1 90 90 VAL CB C 13 33.5 0.2 . 1 . . . A 90 VAL CB . 17611 1 1112 . 1 1 90 90 VAL CG1 C 13 21.4 0.2 . 1 . . . A 90 VAL CG1 . 17611 1 1113 . 1 1 90 90 VAL CG2 C 13 20.1 0.2 . 1 . . . A 90 VAL CG2 . 17611 1 1114 . 1 1 90 90 VAL N N 15 126.8 0.2 . 1 . . . A 90 VAL N . 17611 1 1115 . 1 1 91 91 GLU H H 1 9.15 0.02 . 1 . . . A 91 GLU H . 17611 1 1116 . 1 1 91 91 GLU HA H 1 5.02 0.02 . 1 . . . A 91 GLU HA . 17611 1 1117 . 1 1 91 91 GLU HB2 H 1 2.06 0.02 . 2 . . . A 91 GLU HB2 . 17611 1 1118 . 1 1 91 91 GLU HB3 H 1 1.86 0.02 . 2 . . . A 91 GLU HB3 . 17611 1 1119 . 1 1 91 91 GLU HG2 H 1 2.14 0.02 . 2 . . . A 91 GLU HG2 . 17611 1 1120 . 1 1 91 91 GLU HG3 H 1 2.14 0.02 . 2 . . . A 91 GLU HG3 . 17611 1 1121 . 1 1 91 91 GLU C C 13 173.6 0.2 . 1 . . . A 91 GLU C . 17611 1 1122 . 1 1 91 91 GLU CA C 13 54.6 0.2 . 1 . . . A 91 GLU CA . 17611 1 1123 . 1 1 91 91 GLU CB C 13 34.4 0.2 . 1 . . . A 91 GLU CB . 17611 1 1124 . 1 1 91 91 GLU CG C 13 37.7 0.2 . 1 . . . A 91 GLU CG . 17611 1 1125 . 1 1 91 91 GLU N N 15 125.4 0.2 . 1 . . . A 91 GLU N . 17611 1 1126 . 1 1 92 92 PHE H H 1 8.19 0.02 . 1 . . . A 92 PHE H . 17611 1 1127 . 1 1 92 92 PHE HA H 1 4.91 0.02 . 1 . . . A 92 PHE HA . 17611 1 1128 . 1 1 92 92 PHE HB2 H 1 3.06 0.02 . 2 . . . A 92 PHE HB2 . 17611 1 1129 . 1 1 92 92 PHE HB3 H 1 2.43 0.02 . 2 . . . A 92 PHE HB3 . 17611 1 1130 . 1 1 92 92 PHE HD1 H 1 6.93 0.02 . 3 . . . A 92 PHE HD1 . 17611 1 1131 . 1 1 92 92 PHE HD2 H 1 6.93 0.02 . 3 . . . A 92 PHE HD2 . 17611 1 1132 . 1 1 92 92 PHE HE1 H 1 6.73 0.02 . 3 . . . A 92 PHE HE1 . 17611 1 1133 . 1 1 92 92 PHE HE2 H 1 6.73 0.02 . 3 . . . A 92 PHE HE2 . 17611 1 1134 . 1 1 92 92 PHE HZ H 1 6.23 0.02 . 1 . . . A 92 PHE HZ . 17611 1 1135 . 1 1 92 92 PHE C C 13 175.0 0.2 . 1 . . . A 92 PHE C . 17611 1 1136 . 1 1 92 92 PHE CA C 13 56.5 0.2 . 1 . . . A 92 PHE CA . 17611 1 1137 . 1 1 92 92 PHE CB C 13 39.4 0.2 . 1 . . . A 92 PHE CB . 17611 1 1138 . 1 1 92 92 PHE CD1 C 13 131.0 0.2 . 3 . . . A 92 PHE CD1 . 17611 1 1139 . 1 1 92 92 PHE CD2 C 13 131.0 0.2 . 3 . . . A 92 PHE CD2 . 17611 1 1140 . 1 1 92 92 PHE CE1 C 13 130.9 0.2 . 3 . . . A 92 PHE CE1 . 17611 1 1141 . 1 1 92 92 PHE CE2 C 13 130.9 0.2 . 3 . . . A 92 PHE CE2 . 17611 1 1142 . 1 1 92 92 PHE CZ C 13 129.3 0.2 . 1 . . . A 92 PHE CZ . 17611 1 1143 . 1 1 92 92 PHE N N 15 120.6 0.2 . 1 . . . A 92 PHE N . 17611 1 1144 . 1 1 93 93 LEU H H 1 9.44 0.02 . 1 . . . A 93 LEU H . 17611 1 1145 . 1 1 93 93 LEU HA H 1 4.84 0.02 . 1 . . . A 93 LEU HA . 17611 1 1146 . 1 1 93 93 LEU HB2 H 1 1.74 0.02 . 2 . . . A 93 LEU HB2 . 17611 1 1147 . 1 1 93 93 LEU HB3 H 1 1.61 0.02 . 2 . . . A 93 LEU HB3 . 17611 1 1148 . 1 1 93 93 LEU HG H 1 1.51 0.02 . 1 . . . A 93 LEU HG . 17611 1 1149 . 1 1 93 93 LEU HD11 H 1 0.78 0.02 . 1 . . . A 93 LEU HD11 . 17611 1 1150 . 1 1 93 93 LEU HD12 H 1 0.78 0.02 . 1 . . . A 93 LEU HD12 . 17611 1 1151 . 1 1 93 93 LEU HD13 H 1 0.78 0.02 . 1 . . . A 93 LEU HD13 . 17611 1 1152 . 1 1 93 93 LEU HD21 H 1 0.91 0.02 . 1 . . . A 93 LEU HD21 . 17611 1 1153 . 1 1 93 93 LEU HD22 H 1 0.91 0.02 . 1 . . . A 93 LEU HD22 . 17611 1 1154 . 1 1 93 93 LEU HD23 H 1 0.91 0.02 . 1 . . . A 93 LEU HD23 . 17611 1 1155 . 1 1 93 93 LEU C C 13 176.1 0.2 . 1 . . . A 93 LEU C . 17611 1 1156 . 1 1 93 93 LEU CA C 13 53.6 0.2 . 1 . . . A 93 LEU CA . 17611 1 1157 . 1 1 93 93 LEU CB C 13 43.4 0.2 . 1 . . . A 93 LEU CB . 17611 1 1158 . 1 1 93 93 LEU CG C 13 27.0 0.2 . 1 . . . A 93 LEU CG . 17611 1 1159 . 1 1 93 93 LEU CD1 C 13 25.4 0.2 . 1 . . . A 93 LEU CD1 . 17611 1 1160 . 1 1 93 93 LEU CD2 C 13 24.4 0.2 . 1 . . . A 93 LEU CD2 . 17611 1 1161 . 1 1 93 93 LEU N N 15 125.4 0.2 . 1 . . . A 93 LEU N . 17611 1 1162 . 1 1 94 94 GLU H H 1 8.90 0.02 . 1 . . . A 94 GLU H . 17611 1 1163 . 1 1 94 94 GLU HA H 1 4.34 0.02 . 1 . . . A 94 GLU HA . 17611 1 1164 . 1 1 94 94 GLU HB2 H 1 2.10 0.02 . 2 . . . A 94 GLU HB2 . 17611 1 1165 . 1 1 94 94 GLU HB3 H 1 2.03 0.02 . 2 . . . A 94 GLU HB3 . 17611 1 1166 . 1 1 94 94 GLU HG2 H 1 2.38 0.02 . 2 . . . A 94 GLU HG2 . 17611 1 1167 . 1 1 94 94 GLU HG3 H 1 2.23 0.02 . 2 . . . A 94 GLU HG3 . 17611 1 1168 . 1 1 94 94 GLU C C 13 174.8 0.2 . 1 . . . A 94 GLU C . 17611 1 1169 . 1 1 94 94 GLU CA C 13 58.2 0.2 . 1 . . . A 94 GLU CA . 17611 1 1170 . 1 1 94 94 GLU CB C 13 30.8 0.2 . 1 . . . A 94 GLU CB . 17611 1 1171 . 1 1 94 94 GLU CG C 13 37.3 0.2 . 1 . . . A 94 GLU CG . 17611 1 1172 . 1 1 94 94 GLU N N 15 124.3 0.2 . 1 . . . A 94 GLU N . 17611 1 1173 . 1 1 95 95 ALA H H 1 8.43 0.02 . 1 . . . A 95 ALA H . 17611 1 1174 . 1 1 95 95 ALA HA H 1 4.88 0.02 . 1 . . . A 95 ALA HA . 17611 1 1175 . 1 1 95 95 ALA HB1 H 1 1.43 0.02 . 1 . . . A 95 ALA HB1 . 17611 1 1176 . 1 1 95 95 ALA HB2 H 1 1.43 0.02 . 1 . . . A 95 ALA HB2 . 17611 1 1177 . 1 1 95 95 ALA HB3 H 1 1.43 0.02 . 1 . . . A 95 ALA HB3 . 17611 1 1178 . 1 1 95 95 ALA CA C 13 50.3 0.2 . 1 . . . A 95 ALA CA . 17611 1 1179 . 1 1 95 95 ALA CB C 13 20.0 0.2 . 1 . . . A 95 ALA CB . 17611 1 1180 . 1 1 95 95 ALA N N 15 129.4 0.2 . 1 . . . A 95 ALA N . 17611 1 1181 . 1 1 96 96 PRO HA H 1 4.26 0.02 . 1 . . . A 96 PRO HA . 17611 1 1182 . 1 1 96 96 PRO HB2 H 1 1.86 0.02 . 2 . . . A 96 PRO HB2 . 17611 1 1183 . 1 1 96 96 PRO HB3 H 1 2.40 0.02 . 2 . . . A 96 PRO HB3 . 17611 1 1184 . 1 1 96 96 PRO HG2 H 1 2.17 0.02 . 2 . . . A 96 PRO HG2 . 17611 1 1185 . 1 1 96 96 PRO HG3 H 1 2.00 0.02 . 2 . . . A 96 PRO HG3 . 17611 1 1186 . 1 1 96 96 PRO HD2 H 1 3.82 0.02 . 2 . . . A 96 PRO HD2 . 17611 1 1187 . 1 1 96 96 PRO HD3 H 1 3.74 0.02 . 2 . . . A 96 PRO HD3 . 17611 1 1188 . 1 1 96 96 PRO C C 13 178.2 0.2 . 1 . . . A 96 PRO C . 17611 1 1189 . 1 1 96 96 PRO CA C 13 65.8 0.2 . 1 . . . A 96 PRO CA . 17611 1 1190 . 1 1 96 96 PRO CB C 13 31.7 0.2 . 1 . . . A 96 PRO CB . 17611 1 1191 . 1 1 96 96 PRO CG C 13 28.2 0.2 . 1 . . . A 96 PRO CG . 17611 1 1192 . 1 1 96 96 PRO CD C 13 50.3 0.2 . 1 . . . A 96 PRO CD . 17611 1 1193 . 1 1 97 97 GLN H H 1 8.16 0.02 . 1 . . . A 97 GLN H . 17611 1 1194 . 1 1 97 97 GLN HA H 1 4.35 0.02 . 1 . . . A 97 GLN HA . 17611 1 1195 . 1 1 97 97 GLN HB2 H 1 2.16 0.02 . 2 . . . A 97 GLN HB2 . 17611 1 1196 . 1 1 97 97 GLN HB3 H 1 1.92 0.02 . 2 . . . A 97 GLN HB3 . 17611 1 1197 . 1 1 97 97 GLN HG2 H 1 2.31 0.02 . 2 . . . A 97 GLN HG2 . 17611 1 1198 . 1 1 97 97 GLN HG3 H 1 2.31 0.02 . 2 . . . A 97 GLN HG3 . 17611 1 1199 . 1 1 97 97 GLN HE21 H 1 6.87 0.02 . 1 . . . A 97 GLN HE21 . 17611 1 1200 . 1 1 97 97 GLN HE22 H 1 7.53 0.02 . 1 . . . A 97 GLN HE22 . 17611 1 1201 . 1 1 97 97 GLN C C 13 175.6 0.2 . 1 . . . A 97 GLN C . 17611 1 1202 . 1 1 97 97 GLN CA C 13 55.9 0.2 . 1 . . . A 97 GLN CA . 17611 1 1203 . 1 1 97 97 GLN CB C 13 28.4 0.2 . 1 . . . A 97 GLN CB . 17611 1 1204 . 1 1 97 97 GLN CG C 13 33.9 0.2 . 1 . . . A 97 GLN CG . 17611 1 1205 . 1 1 97 97 GLN CD C 13 180.9 0.2 . 1 . . . A 97 GLN CD . 17611 1 1206 . 1 1 97 97 GLN N N 15 111.4 0.2 . 1 . . . A 97 GLN N . 17611 1 1207 . 1 1 97 97 GLN NE2 N 15 112.1 0.2 . 1 . . . A 97 GLN NE2 . 17611 1 1208 . 1 1 98 98 GLY H H 1 7.58 0.02 . 1 . . . A 98 GLY H . 17611 1 1209 . 1 1 98 98 GLY HA2 H 1 3.95 0.02 . 2 . . . A 98 GLY HA2 . 17611 1 1210 . 1 1 98 98 GLY HA3 H 1 4.42 0.02 . 2 . . . A 98 GLY HA3 . 17611 1 1211 . 1 1 98 98 GLY C C 13 171.7 0.2 . 1 . . . A 98 GLY C . 17611 1 1212 . 1 1 98 98 GLY CA C 13 45.6 0.2 . 1 . . . A 98 GLY CA . 17611 1 1213 . 1 1 98 98 GLY N N 15 108.2 0.2 . 1 . . . A 98 GLY N . 17611 1 1214 . 1 1 99 99 VAL H H 1 9.16 0.02 . 1 . . . A 99 VAL H . 17611 1 1215 . 1 1 99 99 VAL HA H 1 4.83 0.02 . 1 . . . A 99 VAL HA . 17611 1 1216 . 1 1 99 99 VAL HB H 1 2.14 0.02 . 1 . . . A 99 VAL HB . 17611 1 1217 . 1 1 99 99 VAL HG11 H 1 1.01 0.02 . 1 . . . A 99 VAL HG11 . 17611 1 1218 . 1 1 99 99 VAL HG12 H 1 1.01 0.02 . 1 . . . A 99 VAL HG12 . 17611 1 1219 . 1 1 99 99 VAL HG13 H 1 1.01 0.02 . 1 . . . A 99 VAL HG13 . 17611 1 1220 . 1 1 99 99 VAL HG21 H 1 1.13 0.02 . 1 . . . A 99 VAL HG21 . 17611 1 1221 . 1 1 99 99 VAL HG22 H 1 1.13 0.02 . 1 . . . A 99 VAL HG22 . 17611 1 1222 . 1 1 99 99 VAL HG23 H 1 1.13 0.02 . 1 . . . A 99 VAL HG23 . 17611 1 1223 . 1 1 99 99 VAL C C 13 175.8 0.2 . 1 . . . A 99 VAL C . 17611 1 1224 . 1 1 99 99 VAL CA C 13 60.7 0.2 . 1 . . . A 99 VAL CA . 17611 1 1225 . 1 1 99 99 VAL CB C 13 35.1 0.2 . 1 . . . A 99 VAL CB . 17611 1 1226 . 1 1 99 99 VAL CG1 C 13 21.9 0.2 . 1 . . . A 99 VAL CG1 . 17611 1 1227 . 1 1 99 99 VAL CG2 C 13 22.5 0.2 . 1 . . . A 99 VAL CG2 . 17611 1 1228 . 1 1 99 99 VAL N N 15 122.9 0.2 . 1 . . . A 99 VAL N . 17611 1 1229 . 1 1 100 100 THR H H 1 9.62 0.02 . 1 . . . A 100 THR H . 17611 1 1230 . 1 1 100 100 THR HA H 1 5.09 0.02 . 1 . . . A 100 THR HA . 17611 1 1231 . 1 1 100 100 THR HB H 1 3.99 0.02 . 1 . . . A 100 THR HB . 17611 1 1232 . 1 1 100 100 THR HG21 H 1 1.01 0.02 . 1 . . . A 100 THR HG21 . 17611 1 1233 . 1 1 100 100 THR HG22 H 1 1.01 0.02 . 1 . . . A 100 THR HG22 . 17611 1 1234 . 1 1 100 100 THR HG23 H 1 1.01 0.02 . 1 . . . A 100 THR HG23 . 17611 1 1235 . 1 1 100 100 THR C C 13 172.8 0.2 . 1 . . . A 100 THR C . 17611 1 1236 . 1 1 100 100 THR CA C 13 62.4 0.2 . 1 . . . A 100 THR CA . 17611 1 1237 . 1 1 100 100 THR CB C 13 69.9 0.2 . 1 . . . A 100 THR CB . 17611 1 1238 . 1 1 100 100 THR CG2 C 13 21.8 0.2 . 1 . . . A 100 THR CG2 . 17611 1 1239 . 1 1 100 100 THR N N 15 128.1 0.2 . 1 . . . A 100 THR N . 17611 1 1240 . 1 1 101 101 VAL H H 1 9.09 0.02 . 1 . . . A 101 VAL H . 17611 1 1241 . 1 1 101 101 VAL HA H 1 4.37 0.02 . 1 . . . A 101 VAL HA . 17611 1 1242 . 1 1 101 101 VAL HB H 1 1.75 0.02 . 1 . . . A 101 VAL HB . 17611 1 1243 . 1 1 101 101 VAL HG11 H 1 -0.05 0.02 . 1 . . . A 101 VAL HG11 . 17611 1 1244 . 1 1 101 101 VAL HG12 H 1 -0.05 0.02 . 1 . . . A 101 VAL HG12 . 17611 1 1245 . 1 1 101 101 VAL HG13 H 1 -0.05 0.02 . 1 . . . A 101 VAL HG13 . 17611 1 1246 . 1 1 101 101 VAL HG21 H 1 0.72 0.02 . 1 . . . A 101 VAL HG21 . 17611 1 1247 . 1 1 101 101 VAL HG22 H 1 0.72 0.02 . 1 . . . A 101 VAL HG22 . 17611 1 1248 . 1 1 101 101 VAL HG23 H 1 0.72 0.02 . 1 . . . A 101 VAL HG23 . 17611 1 1249 . 1 1 101 101 VAL C C 13 173.7 0.2 . 1 . . . A 101 VAL C . 17611 1 1250 . 1 1 101 101 VAL CA C 13 61.1 0.2 . 1 . . . A 101 VAL CA . 17611 1 1251 . 1 1 101 101 VAL CB C 13 32.2 0.2 . 1 . . . A 101 VAL CB . 17611 1 1252 . 1 1 101 101 VAL CG1 C 13 20.2 0.2 . 1 . . . A 101 VAL CG1 . 17611 1 1253 . 1 1 101 101 VAL CG2 C 13 21.5 0.2 . 1 . . . A 101 VAL CG2 . 17611 1 1254 . 1 1 101 101 VAL N N 15 130.0 0.2 . 1 . . . A 101 VAL N . 17611 1 1255 . 1 1 102 102 ARG H H 1 8.70 0.02 . 1 . . . A 102 ARG H . 17611 1 1256 . 1 1 102 102 ARG HA H 1 5.06 0.02 . 1 . . . A 102 ARG HA . 17611 1 1257 . 1 1 102 102 ARG HB2 H 1 1.63 0.02 . 2 . . . A 102 ARG HB2 . 17611 1 1258 . 1 1 102 102 ARG HB3 H 1 1.40 0.02 . 2 . . . A 102 ARG HB3 . 17611 1 1259 . 1 1 102 102 ARG HG2 H 1 1.51 0.02 . 2 . . . A 102 ARG HG2 . 17611 1 1260 . 1 1 102 102 ARG HG3 H 1 1.38 0.02 . 2 . . . A 102 ARG HG3 . 17611 1 1261 . 1 1 102 102 ARG HD2 H 1 3.07 0.02 . 2 . . . A 102 ARG HD2 . 17611 1 1262 . 1 1 102 102 ARG HD3 H 1 3.01 0.02 . 2 . . . A 102 ARG HD3 . 17611 1 1263 . 1 1 102 102 ARG HE H 1 7.03 0.02 . 1 . . . A 102 ARG HE . 17611 1 1264 . 1 1 102 102 ARG C C 13 174.9 0.2 . 1 . . . A 102 ARG C . 17611 1 1265 . 1 1 102 102 ARG CA C 13 54.1 0.2 . 1 . . . A 102 ARG CA . 17611 1 1266 . 1 1 102 102 ARG CB C 13 34.4 0.2 . 1 . . . A 102 ARG CB . 17611 1 1267 . 1 1 102 102 ARG CG C 13 27.4 0.2 . 1 . . . A 102 ARG CG . 17611 1 1268 . 1 1 102 102 ARG CD C 13 43.7 0.2 . 1 . . . A 102 ARG CD . 17611 1 1269 . 1 1 102 102 ARG CZ C 13 159.8 0.2 . 1 . . . A 102 ARG CZ . 17611 1 1270 . 1 1 102 102 ARG N N 15 127.5 0.2 . 1 . . . A 102 ARG N . 17611 1 1271 . 1 1 102 102 ARG NE N 15 83.5 0.2 . 1 . . . A 102 ARG NE . 17611 1 1272 . 1 1 103 103 VAL H H 1 9.38 0.02 . 1 . . . A 103 VAL H . 17611 1 1273 . 1 1 103 103 VAL HA H 1 5.08 0.02 . 1 . . . A 103 VAL HA . 17611 1 1274 . 1 1 103 103 VAL HB H 1 2.01 0.02 . 1 . . . A 103 VAL HB . 17611 1 1275 . 1 1 103 103 VAL HG11 H 1 0.89 0.02 . 1 . . . A 103 VAL HG11 . 17611 1 1276 . 1 1 103 103 VAL HG12 H 1 0.89 0.02 . 1 . . . A 103 VAL HG12 . 17611 1 1277 . 1 1 103 103 VAL HG13 H 1 0.89 0.02 . 1 . . . A 103 VAL HG13 . 17611 1 1278 . 1 1 103 103 VAL HG21 H 1 0.94 0.02 . 1 . . . A 103 VAL HG21 . 17611 1 1279 . 1 1 103 103 VAL HG22 H 1 0.94 0.02 . 1 . . . A 103 VAL HG22 . 17611 1 1280 . 1 1 103 103 VAL HG23 H 1 0.94 0.02 . 1 . . . A 103 VAL HG23 . 17611 1 1281 . 1 1 103 103 VAL C C 13 174.5 0.2 . 1 . . . A 103 VAL C . 17611 1 1282 . 1 1 103 103 VAL CA C 13 61.0 0.2 . 1 . . . A 103 VAL CA . 17611 1 1283 . 1 1 103 103 VAL CB C 13 33.9 0.2 . 1 . . . A 103 VAL CB . 17611 1 1284 . 1 1 103 103 VAL CG1 C 13 20.9 0.2 . 1 . . . A 103 VAL CG1 . 17611 1 1285 . 1 1 103 103 VAL CG2 C 13 22.0 0.2 . 1 . . . A 103 VAL CG2 . 17611 1 1286 . 1 1 103 103 VAL N N 15 129.4 0.2 . 1 . . . A 103 VAL N . 17611 1 1287 . 1 1 104 104 SER H H 1 9.11 0.02 . 1 . . . A 104 SER H . 17611 1 1288 . 1 1 104 104 SER HA H 1 5.83 0.02 . 1 . . . A 104 SER HA . 17611 1 1289 . 1 1 104 104 SER HB2 H 1 3.68 0.02 . 2 . . . A 104 SER HB2 . 17611 1 1290 . 1 1 104 104 SER HB3 H 1 3.61 0.02 . 2 . . . A 104 SER HB3 . 17611 1 1291 . 1 1 104 104 SER C C 13 173.6 0.2 . 1 . . . A 104 SER C . 17611 1 1292 . 1 1 104 104 SER CA C 13 56.0 0.2 . 1 . . . A 104 SER CA . 17611 1 1293 . 1 1 104 104 SER CB C 13 65.0 0.2 . 1 . . . A 104 SER CB . 17611 1 1294 . 1 1 104 104 SER N N 15 121.5 0.2 . 1 . . . A 104 SER N . 17611 1 1295 . 1 1 105 105 PHE H H 1 8.97 0.02 . 1 . . . A 105 PHE H . 17611 1 1296 . 1 1 105 105 PHE HA H 1 5.40 0.02 . 1 . . . A 105 PHE HA . 17611 1 1297 . 1 1 105 105 PHE HB2 H 1 2.79 0.02 . 2 . . . A 105 PHE HB2 . 17611 1 1298 . 1 1 105 105 PHE HB3 H 1 2.59 0.02 . 2 . . . A 105 PHE HB3 . 17611 1 1299 . 1 1 105 105 PHE HD1 H 1 6.42 0.02 . 3 . . . A 105 PHE HD1 . 17611 1 1300 . 1 1 105 105 PHE HD2 H 1 6.42 0.02 . 3 . . . A 105 PHE HD2 . 17611 1 1301 . 1 1 105 105 PHE HE1 H 1 6.50 0.02 . 3 . . . A 105 PHE HE1 . 17611 1 1302 . 1 1 105 105 PHE HE2 H 1 6.50 0.02 . 3 . . . A 105 PHE HE2 . 17611 1 1303 . 1 1 105 105 PHE HZ H 1 6.31 0.02 . 1 . . . A 105 PHE HZ . 17611 1 1304 . 1 1 105 105 PHE C C 13 172.9 0.2 . 1 . . . A 105 PHE C . 17611 1 1305 . 1 1 105 105 PHE CA C 13 55.2 0.2 . 1 . . . A 105 PHE CA . 17611 1 1306 . 1 1 105 105 PHE CB C 13 42.3 0.2 . 1 . . . A 105 PHE CB . 17611 1 1307 . 1 1 105 105 PHE CD1 C 13 131.9 0.2 . 3 . . . A 105 PHE CD1 . 17611 1 1308 . 1 1 105 105 PHE CD2 C 13 131.9 0.2 . 3 . . . A 105 PHE CD2 . 17611 1 1309 . 1 1 105 105 PHE CE1 C 13 128.8 0.2 . 3 . . . A 105 PHE CE1 . 17611 1 1310 . 1 1 105 105 PHE CE2 C 13 128.8 0.2 . 3 . . . A 105 PHE CE2 . 17611 1 1311 . 1 1 105 105 PHE CZ C 13 128.7 0.2 . 1 . . . A 105 PHE CZ . 17611 1 1312 . 1 1 105 105 PHE N N 15 122.0 0.2 . 1 . . . A 105 PHE N . 17611 1 1313 . 1 1 106 106 VAL H H 1 7.91 0.02 . 1 . . . A 106 VAL H . 17611 1 1314 . 1 1 106 106 VAL HA H 1 4.20 0.02 . 1 . . . A 106 VAL HA . 17611 1 1315 . 1 1 106 106 VAL HB H 1 1.91 0.02 . 1 . . . A 106 VAL HB . 17611 1 1316 . 1 1 106 106 VAL HG11 H 1 1.13 0.02 . 1 . . . A 106 VAL HG11 . 17611 1 1317 . 1 1 106 106 VAL HG12 H 1 1.13 0.02 . 1 . . . A 106 VAL HG12 . 17611 1 1318 . 1 1 106 106 VAL HG13 H 1 1.13 0.02 . 1 . . . A 106 VAL HG13 . 17611 1 1319 . 1 1 106 106 VAL HG21 H 1 1.19 0.02 . 1 . . . A 106 VAL HG21 . 17611 1 1320 . 1 1 106 106 VAL HG22 H 1 1.19 0.02 . 1 . . . A 106 VAL HG22 . 17611 1 1321 . 1 1 106 106 VAL HG23 H 1 1.19 0.02 . 1 . . . A 106 VAL HG23 . 17611 1 1322 . 1 1 106 106 VAL C C 13 176.2 0.2 . 1 . . . A 106 VAL C . 17611 1 1323 . 1 1 106 106 VAL CA C 13 62.4 0.2 . 1 . . . A 106 VAL CA . 17611 1 1324 . 1 1 106 106 VAL CB C 13 33.4 0.2 . 1 . . . A 106 VAL CB . 17611 1 1325 . 1 1 106 106 VAL CG1 C 13 21.4 0.2 . 1 . . . A 106 VAL CG1 . 17611 1 1326 . 1 1 106 106 VAL CG2 C 13 22.0 0.2 . 1 . . . A 106 VAL CG2 . 17611 1 1327 . 1 1 106 106 VAL N N 15 120.3 0.2 . 1 . . . A 106 VAL N . 17611 1 1328 . 1 1 107 107 ALA H H 1 8.71 0.02 . 1 . . . A 107 ALA H . 17611 1 1329 . 1 1 107 107 ALA HA H 1 4.32 0.02 . 1 . . . A 107 ALA HA . 17611 1 1330 . 1 1 107 107 ALA HB1 H 1 1.33 0.02 . 1 . . . A 107 ALA HB1 . 17611 1 1331 . 1 1 107 107 ALA HB2 H 1 1.33 0.02 . 1 . . . A 107 ALA HB2 . 17611 1 1332 . 1 1 107 107 ALA HB3 H 1 1.33 0.02 . 1 . . . A 107 ALA HB3 . 17611 1 1333 . 1 1 107 107 ALA C C 13 178.3 0.2 . 1 . . . A 107 ALA C . 17611 1 1334 . 1 1 107 107 ALA CA C 13 52.5 0.2 . 1 . . . A 107 ALA CA . 17611 1 1335 . 1 1 107 107 ALA CB C 13 19.4 0.2 . 1 . . . A 107 ALA CB . 17611 1 1336 . 1 1 107 107 ALA N N 15 131.4 0.2 . 1 . . . A 107 ALA N . 17611 1 1337 . 1 1 108 108 GLU H H 1 9.57 0.02 . 1 . . . A 108 GLU H . 17611 1 1338 . 1 1 108 108 GLU HA H 1 4.58 0.02 . 1 . . . A 108 GLU HA . 17611 1 1339 . 1 1 108 108 GLU HB2 H 1 2.28 0.02 . 2 . . . A 108 GLU HB2 . 17611 1 1340 . 1 1 108 108 GLU HB3 H 1 2.12 0.02 . 2 . . . A 108 GLU HB3 . 17611 1 1341 . 1 1 108 108 GLU HG2 H 1 2.43 0.02 . 2 . . . A 108 GLU HG2 . 17611 1 1342 . 1 1 108 108 GLU HG3 H 1 2.43 0.02 . 2 . . . A 108 GLU HG3 . 17611 1 1343 . 1 1 108 108 GLU C C 13 178.1 0.2 . 1 . . . A 108 GLU C . 17611 1 1344 . 1 1 108 108 GLU CA C 13 56.4 0.2 . 1 . . . A 108 GLU CA . 17611 1 1345 . 1 1 108 108 GLU CB C 13 30.7 0.2 . 1 . . . A 108 GLU CB . 17611 1 1346 . 1 1 108 108 GLU CG C 13 36.9 0.2 . 1 . . . A 108 GLU CG . 17611 1 1347 . 1 1 108 108 GLU N N 15 123.0 0.2 . 1 . . . A 108 GLU N . 17611 1 1348 . 1 1 109 109 THR H H 1 8.62 0.02 . 1 . . . A 109 THR H . 17611 1 1349 . 1 1 109 109 THR HA H 1 4.27 0.02 . 1 . . . A 109 THR HA . 17611 1 1350 . 1 1 109 109 THR HB H 1 4.30 0.02 . 1 . . . A 109 THR HB . 17611 1 1351 . 1 1 109 109 THR HG21 H 1 1.27 0.02 . 1 . . . A 109 THR HG21 . 17611 1 1352 . 1 1 109 109 THR HG22 H 1 1.27 0.02 . 1 . . . A 109 THR HG22 . 17611 1 1353 . 1 1 109 109 THR HG23 H 1 1.27 0.02 . 1 . . . A 109 THR HG23 . 17611 1 1354 . 1 1 109 109 THR C C 13 176.4 0.2 . 1 . . . A 109 THR C . 17611 1 1355 . 1 1 109 109 THR CA C 13 63.8 0.2 . 1 . . . A 109 THR CA . 17611 1 1356 . 1 1 109 109 THR CB C 13 69.1 0.2 . 1 . . . A 109 THR CB . 17611 1 1357 . 1 1 109 109 THR CG2 C 13 22.0 0.2 . 1 . . . A 109 THR CG2 . 17611 1 1358 . 1 1 109 109 THR N N 15 115.4 0.2 . 1 . . . A 109 THR N . 17611 1 1359 . 1 1 110 110 GLU H H 1 8.65 0.02 . 1 . . . A 110 GLU H . 17611 1 1360 . 1 1 110 110 GLU HA H 1 4.03 0.02 . 1 . . . A 110 GLU HA . 17611 1 1361 . 1 1 110 110 GLU HB2 H 1 1.78 0.02 . 2 . . . A 110 GLU HB2 . 17611 1 1362 . 1 1 110 110 GLU HB3 H 1 1.78 0.02 . 2 . . . A 110 GLU HB3 . 17611 1 1363 . 1 1 110 110 GLU HG2 H 1 2.11 0.02 . 2 . . . A 110 GLU HG2 . 17611 1 1364 . 1 1 110 110 GLU HG3 H 1 2.11 0.02 . 2 . . . A 110 GLU HG3 . 17611 1 1365 . 1 1 110 110 GLU C C 13 175.1 0.2 . 1 . . . A 110 GLU C . 17611 1 1366 . 1 1 110 110 GLU CA C 13 58.1 0.2 . 1 . . . A 110 GLU CA . 17611 1 1367 . 1 1 110 110 GLU CB C 13 29.5 0.2 . 1 . . . A 110 GLU CB . 17611 1 1368 . 1 1 110 110 GLU CG C 13 36.4 0.2 . 1 . . . A 110 GLU CG . 17611 1 1369 . 1 1 110 110 GLU N N 15 119.5 0.2 . 1 . . . A 110 GLU N . 17611 1 1370 . 1 1 111 111 TYR H H 1 7.11 0.02 . 1 . . . A 111 TYR H . 17611 1 1371 . 1 1 111 111 TYR HA H 1 5.03 0.02 . 1 . . . A 111 TYR HA . 17611 1 1372 . 1 1 111 111 TYR HB2 H 1 3.06 0.02 . 2 . . . A 111 TYR HB2 . 17611 1 1373 . 1 1 111 111 TYR HB3 H 1 2.53 0.02 . 2 . . . A 111 TYR HB3 . 17611 1 1374 . 1 1 111 111 TYR HD1 H 1 7.05 0.02 . 3 . . . A 111 TYR HD1 . 17611 1 1375 . 1 1 111 111 TYR HD2 H 1 7.05 0.02 . 3 . . . A 111 TYR HD2 . 17611 1 1376 . 1 1 111 111 TYR HE1 H 1 6.81 0.02 . 3 . . . A 111 TYR HE1 . 17611 1 1377 . 1 1 111 111 TYR HE2 H 1 6.81 0.02 . 3 . . . A 111 TYR HE2 . 17611 1 1378 . 1 1 111 111 TYR CA C 13 54.8 0.2 . 1 . . . A 111 TYR CA . 17611 1 1379 . 1 1 111 111 TYR CB C 13 39.9 0.2 . 1 . . . A 111 TYR CB . 17611 1 1380 . 1 1 111 111 TYR CD1 C 13 133.3 0.2 . 3 . . . A 111 TYR CD1 . 17611 1 1381 . 1 1 111 111 TYR CD2 C 13 133.3 0.2 . 3 . . . A 111 TYR CD2 . 17611 1 1382 . 1 1 111 111 TYR CE1 C 13 118.5 0.2 . 3 . . . A 111 TYR CE1 . 17611 1 1383 . 1 1 111 111 TYR CE2 C 13 118.5 0.2 . 3 . . . A 111 TYR CE2 . 17611 1 1384 . 1 1 111 111 TYR N N 15 116.4 0.2 . 1 . . . A 111 TYR N . 17611 1 1385 . 1 1 112 112 PRO HA H 1 4.52 0.02 . 1 . . . A 112 PRO HA . 17611 1 1386 . 1 1 112 112 PRO HB2 H 1 1.95 0.02 . 2 . . . A 112 PRO HB2 . 17611 1 1387 . 1 1 112 112 PRO HB3 H 1 2.62 0.02 . 2 . . . A 112 PRO HB3 . 17611 1 1388 . 1 1 112 112 PRO HG2 H 1 2.19 0.02 . 2 . . . A 112 PRO HG2 . 17611 1 1389 . 1 1 112 112 PRO HG3 H 1 2.12 0.02 . 2 . . . A 112 PRO HG3 . 17611 1 1390 . 1 1 112 112 PRO HD2 H 1 4.03 0.02 . 2 . . . A 112 PRO HD2 . 17611 1 1391 . 1 1 112 112 PRO HD3 H 1 3.57 0.02 . 2 . . . A 112 PRO HD3 . 17611 1 1392 . 1 1 112 112 PRO C C 13 178.7 0.2 . 1 . . . A 112 PRO C . 17611 1 1393 . 1 1 112 112 PRO CA C 13 63.2 0.2 . 1 . . . A 112 PRO CA . 17611 1 1394 . 1 1 112 112 PRO CB C 13 32.8 0.2 . 1 . . . A 112 PRO CB . 17611 1 1395 . 1 1 112 112 PRO CG C 13 28.0 0.2 . 1 . . . A 112 PRO CG . 17611 1 1396 . 1 1 112 112 PRO CD C 13 50.9 0.2 . 1 . . . A 112 PRO CD . 17611 1 1397 . 1 1 113 113 VAL H H 1 8.88 0.02 . 1 . . . A 113 VAL H . 17611 1 1398 . 1 1 113 113 VAL HA H 1 3.68 0.02 . 1 . . . A 113 VAL HA . 17611 1 1399 . 1 1 113 113 VAL HB H 1 2.09 0.02 . 1 . . . A 113 VAL HB . 17611 1 1400 . 1 1 113 113 VAL HG11 H 1 0.97 0.02 . 1 . . . A 113 VAL HG11 . 17611 1 1401 . 1 1 113 113 VAL HG12 H 1 0.97 0.02 . 1 . . . A 113 VAL HG12 . 17611 1 1402 . 1 1 113 113 VAL HG13 H 1 0.97 0.02 . 1 . . . A 113 VAL HG13 . 17611 1 1403 . 1 1 113 113 VAL HG21 H 1 1.07 0.02 . 1 . . . A 113 VAL HG21 . 17611 1 1404 . 1 1 113 113 VAL HG22 H 1 1.07 0.02 . 1 . . . A 113 VAL HG22 . 17611 1 1405 . 1 1 113 113 VAL HG23 H 1 1.07 0.02 . 1 . . . A 113 VAL HG23 . 17611 1 1406 . 1 1 113 113 VAL C C 13 178.2 0.2 . 1 . . . A 113 VAL C . 17611 1 1407 . 1 1 113 113 VAL CA C 13 66.6 0.2 . 1 . . . A 113 VAL CA . 17611 1 1408 . 1 1 113 113 VAL CB C 13 31.9 0.2 . 1 . . . A 113 VAL CB . 17611 1 1409 . 1 1 113 113 VAL CG1 C 13 21.2 0.2 . 1 . . . A 113 VAL CG1 . 17611 1 1410 . 1 1 113 113 VAL CG2 C 13 21.9 0.2 . 1 . . . A 113 VAL CG2 . 17611 1 1411 . 1 1 113 113 VAL N N 15 125.0 0.2 . 1 . . . A 113 VAL N . 17611 1 1412 . 1 1 114 114 GLU H H 1 9.50 0.02 . 1 . . . A 114 GLU H . 17611 1 1413 . 1 1 114 114 GLU HA H 1 4.19 0.02 . 1 . . . A 114 GLU HA . 17611 1 1414 . 1 1 114 114 GLU HB2 H 1 2.11 0.02 . 2 . . . A 114 GLU HB2 . 17611 1 1415 . 1 1 114 114 GLU HB3 H 1 2.04 0.02 . 2 . . . A 114 GLU HB3 . 17611 1 1416 . 1 1 114 114 GLU HG2 H 1 2.38 0.02 . 2 . . . A 114 GLU HG2 . 17611 1 1417 . 1 1 114 114 GLU HG3 H 1 2.38 0.02 . 2 . . . A 114 GLU HG3 . 17611 1 1418 . 1 1 114 114 GLU C C 13 178.8 0.2 . 1 . . . A 114 GLU C . 17611 1 1419 . 1 1 114 114 GLU CA C 13 60.2 0.2 . 1 . . . A 114 GLU CA . 17611 1 1420 . 1 1 114 114 GLU CB C 13 28.5 0.2 . 1 . . . A 114 GLU CB . 17611 1 1421 . 1 1 114 114 GLU CG C 13 36.6 0.2 . 1 . . . A 114 GLU CG . 17611 1 1422 . 1 1 114 114 GLU N N 15 120.0 0.2 . 1 . . . A 114 GLU N . 17611 1 1423 . 1 1 115 115 GLN H H 1 7.00 0.02 . 1 . . . A 115 GLN H . 17611 1 1424 . 1 1 115 115 GLN HA H 1 4.20 0.02 . 1 . . . A 115 GLN HA . 17611 1 1425 . 1 1 115 115 GLN HB2 H 1 2.19 0.02 . 2 . . . A 115 GLN HB2 . 17611 1 1426 . 1 1 115 115 GLN HB3 H 1 2.19 0.02 . 2 . . . A 115 GLN HB3 . 17611 1 1427 . 1 1 115 115 GLN HG2 H 1 2.41 0.02 . 2 . . . A 115 GLN HG2 . 17611 1 1428 . 1 1 115 115 GLN HG3 H 1 2.41 0.02 . 2 . . . A 115 GLN HG3 . 17611 1 1429 . 1 1 115 115 GLN HE21 H 1 6.74 0.02 . 1 . . . A 115 GLN HE21 . 17611 1 1430 . 1 1 115 115 GLN HE22 H 1 7.52 0.02 . 1 . . . A 115 GLN HE22 . 17611 1 1431 . 1 1 115 115 GLN C C 13 179.1 0.2 . 1 . . . A 115 GLN C . 17611 1 1432 . 1 1 115 115 GLN CA C 13 58.6 0.2 . 1 . . . A 115 GLN CA . 17611 1 1433 . 1 1 115 115 GLN CB C 13 29.0 0.2 . 1 . . . A 115 GLN CB . 17611 1 1434 . 1 1 115 115 GLN CG C 13 34.0 0.2 . 1 . . . A 115 GLN CG . 17611 1 1435 . 1 1 115 115 GLN CD C 13 176.2 0.2 . 1 . . . A 115 GLN CD . 17611 1 1436 . 1 1 115 115 GLN N N 15 117.0 0.2 . 1 . . . A 115 GLN N . 17611 1 1437 . 1 1 115 115 GLN NE2 N 15 111.2 0.2 . 1 . . . A 115 GLN NE2 . 17611 1 1438 . 1 1 116 116 GLN H H 1 7.59 0.02 . 1 . . . A 116 GLN H . 17611 1 1439 . 1 1 116 116 GLN HA H 1 4.44 0.02 . 1 . . . A 116 GLN HA . 17611 1 1440 . 1 1 116 116 GLN HB2 H 1 2.42 0.02 . 2 . . . A 116 GLN HB2 . 17611 1 1441 . 1 1 116 116 GLN HB3 H 1 2.35 0.02 . 2 . . . A 116 GLN HB3 . 17611 1 1442 . 1 1 116 116 GLN HG2 H 1 2.61 0.02 . 2 . . . A 116 GLN HG2 . 17611 1 1443 . 1 1 116 116 GLN HG3 H 1 2.51 0.02 . 2 . . . A 116 GLN HG3 . 17611 1 1444 . 1 1 116 116 GLN HE21 H 1 7.93 0.02 . 1 . . . A 116 GLN HE21 . 17611 1 1445 . 1 1 116 116 GLN HE22 H 1 6.83 0.02 . 1 . . . A 116 GLN HE22 . 17611 1 1446 . 1 1 116 116 GLN C C 13 177.8 0.2 . 1 . . . A 116 GLN C . 17611 1 1447 . 1 1 116 116 GLN CA C 13 59.1 0.2 . 1 . . . A 116 GLN CA . 17611 1 1448 . 1 1 116 116 GLN CB C 13 30.2 0.2 . 1 . . . A 116 GLN CB . 17611 1 1449 . 1 1 116 116 GLN CG C 13 35.4 0.2 . 1 . . . A 116 GLN CG . 17611 1 1450 . 1 1 116 116 GLN CD C 13 180.4 0.2 . 1 . . . A 116 GLN CD . 17611 1 1451 . 1 1 116 116 GLN N N 15 119.8 0.2 . 1 . . . A 116 GLN N . 17611 1 1452 . 1 1 116 116 GLN NE2 N 15 116.1 0.2 . 1 . . . A 116 GLN NE2 . 17611 1 1453 . 1 1 117 117 GLN H H 1 8.81 0.02 . 1 . . . A 117 GLN H . 17611 1 1454 . 1 1 117 117 GLN HA H 1 3.90 0.02 . 1 . . . A 117 GLN HA . 17611 1 1455 . 1 1 117 117 GLN HB2 H 1 2.32 0.02 . 2 . . . A 117 GLN HB2 . 17611 1 1456 . 1 1 117 117 GLN HB3 H 1 2.13 0.02 . 2 . . . A 117 GLN HB3 . 17611 1 1457 . 1 1 117 117 GLN HG2 H 1 2.42 0.02 . 2 . . . A 117 GLN HG2 . 17611 1 1458 . 1 1 117 117 GLN HG3 H 1 2.26 0.02 . 2 . . . A 117 GLN HG3 . 17611 1 1459 . 1 1 117 117 GLN HE21 H 1 6.84 0.02 . 1 . . . A 117 GLN HE21 . 17611 1 1460 . 1 1 117 117 GLN HE22 H 1 7.44 0.02 . 1 . . . A 117 GLN HE22 . 17611 1 1461 . 1 1 117 117 GLN C C 13 177.2 0.2 . 1 . . . A 117 GLN C . 17611 1 1462 . 1 1 117 117 GLN CA C 13 60.3 0.2 . 1 . . . A 117 GLN CA . 17611 1 1463 . 1 1 117 117 GLN CB C 13 28.6 0.2 . 1 . . . A 117 GLN CB . 17611 1 1464 . 1 1 117 117 GLN CG C 13 33.7 0.2 . 1 . . . A 117 GLN CG . 17611 1 1465 . 1 1 117 117 GLN CD C 13 179.1 0.2 . 1 . . . A 117 GLN CD . 17611 1 1466 . 1 1 117 117 GLN N N 15 119.7 0.2 . 1 . . . A 117 GLN N . 17611 1 1467 . 1 1 117 117 GLN NE2 N 15 111.0 0.2 . 1 . . . A 117 GLN NE2 . 17611 1 1468 . 1 1 118 118 GLN H H 1 8.17 0.02 . 1 . . . A 118 GLN H . 17611 1 1469 . 1 1 118 118 GLN HA H 1 4.14 0.02 . 1 . . . A 118 GLN HA . 17611 1 1470 . 1 1 118 118 GLN HB2 H 1 2.20 0.02 . 2 . . . A 118 GLN HB2 . 17611 1 1471 . 1 1 118 118 GLN HB3 H 1 2.20 0.02 . 2 . . . A 118 GLN HB3 . 17611 1 1472 . 1 1 118 118 GLN HG2 H 1 2.67 0.02 . 2 . . . A 118 GLN HG2 . 17611 1 1473 . 1 1 118 118 GLN HG3 H 1 2.51 0.02 . 2 . . . A 118 GLN HG3 . 17611 1 1474 . 1 1 118 118 GLN HE21 H 1 6.86 0.02 . 1 . . . A 118 GLN HE21 . 17611 1 1475 . 1 1 118 118 GLN HE22 H 1 7.53 0.02 . 1 . . . A 118 GLN HE22 . 17611 1 1476 . 1 1 118 118 GLN C C 13 179.5 0.2 . 1 . . . A 118 GLN C . 17611 1 1477 . 1 1 118 118 GLN CA C 13 59.0 0.2 . 1 . . . A 118 GLN CA . 17611 1 1478 . 1 1 118 118 GLN CB C 13 28.2 0.2 . 1 . . . A 118 GLN CB . 17611 1 1479 . 1 1 118 118 GLN CG C 13 34.0 0.2 . 1 . . . A 118 GLN CG . 17611 1 1480 . 1 1 118 118 GLN CD C 13 179.3 0.2 . 1 . . . A 118 GLN CD . 17611 1 1481 . 1 1 118 118 GLN N N 15 116.0 0.2 . 1 . . . A 118 GLN N . 17611 1 1482 . 1 1 118 118 GLN NE2 N 15 111.3 0.2 . 1 . . . A 118 GLN NE2 . 17611 1 1483 . 1 1 119 119 GLY H H 1 8.12 0.02 . 1 . . . A 119 GLY H . 17611 1 1484 . 1 1 119 119 GLY HA2 H 1 3.94 0.02 . 2 . . . A 119 GLY HA2 . 17611 1 1485 . 1 1 119 119 GLY HA3 H 1 3.91 0.02 . 2 . . . A 119 GLY HA3 . 17611 1 1486 . 1 1 119 119 GLY C C 13 175.5 0.2 . 1 . . . A 119 GLY C . 17611 1 1487 . 1 1 119 119 GLY CA C 13 47.5 0.2 . 1 . . . A 119 GLY CA . 17611 1 1488 . 1 1 119 119 GLY N N 15 108.1 0.2 . 1 . . . A 119 GLY N . 17611 1 1489 . 1 1 120 120 TRP H H 1 8.27 0.02 . 1 . . . A 120 TRP H . 17611 1 1490 . 1 1 120 120 TRP HA H 1 4.13 0.02 . 1 . . . A 120 TRP HA . 17611 1 1491 . 1 1 120 120 TRP HB2 H 1 3.13 0.02 . 2 . . . A 120 TRP HB2 . 17611 1 1492 . 1 1 120 120 TRP HB3 H 1 3.09 0.02 . 2 . . . A 120 TRP HB3 . 17611 1 1493 . 1 1 120 120 TRP HD1 H 1 7.40 0.02 . 1 . . . A 120 TRP HD1 . 17611 1 1494 . 1 1 120 120 TRP HE1 H 1 9.71 0.02 . 1 . . . A 120 TRP HE1 . 17611 1 1495 . 1 1 120 120 TRP HE3 H 1 7.14 0.02 . 1 . . . A 120 TRP HE3 . 17611 1 1496 . 1 1 120 120 TRP HZ2 H 1 6.92 0.02 . 1 . . . A 120 TRP HZ2 . 17611 1 1497 . 1 1 120 120 TRP HZ3 H 1 6.71 0.02 . 1 . . . A 120 TRP HZ3 . 17611 1 1498 . 1 1 120 120 TRP HH2 H 1 6.77 0.02 . 1 . . . A 120 TRP HH2 . 17611 1 1499 . 1 1 120 120 TRP C C 13 179.7 0.2 . 1 . . . A 120 TRP C . 17611 1 1500 . 1 1 120 120 TRP CA C 13 61.7 0.2 . 1 . . . A 120 TRP CA . 17611 1 1501 . 1 1 120 120 TRP CB C 13 28.3 0.2 . 1 . . . A 120 TRP CB . 17611 1 1502 . 1 1 120 120 TRP CD1 C 13 127.5 0.2 . 1 . . . A 120 TRP CD1 . 17611 1 1503 . 1 1 120 120 TRP CE3 C 13 120.1 0.2 . 1 . . . A 120 TRP CE3 . 17611 1 1504 . 1 1 120 120 TRP CZ2 C 13 113.7 0.2 . 1 . . . A 120 TRP CZ2 . 17611 1 1505 . 1 1 120 120 TRP CZ3 C 13 121.0 0.2 . 1 . . . A 120 TRP CZ3 . 17611 1 1506 . 1 1 120 120 TRP CH2 C 13 123.9 0.2 . 1 . . . A 120 TRP CH2 . 17611 1 1507 . 1 1 120 120 TRP N N 15 120.9 0.2 . 1 . . . A 120 TRP N . 17611 1 1508 . 1 1 120 120 TRP NE1 N 15 129.6 0.2 . 1 . . . A 120 TRP NE1 . 17611 1 1509 . 1 1 121 121 GLN H H 1 8.89 0.02 . 1 . . . A 121 GLN H . 17611 1 1510 . 1 1 121 121 GLN HA H 1 3.96 0.02 . 1 . . . A 121 GLN HA . 17611 1 1511 . 1 1 121 121 GLN HB2 H 1 2.50 0.02 . 2 . . . A 121 GLN HB2 . 17611 1 1512 . 1 1 121 121 GLN HB3 H 1 2.30 0.02 . 2 . . . A 121 GLN HB3 . 17611 1 1513 . 1 1 121 121 GLN HG2 H 1 2.53 0.02 . 2 . . . A 121 GLN HG2 . 17611 1 1514 . 1 1 121 121 GLN HG3 H 1 2.38 0.02 . 2 . . . A 121 GLN HG3 . 17611 1 1515 . 1 1 121 121 GLN HE21 H 1 7.38 0.02 . 1 . . . A 121 GLN HE21 . 17611 1 1516 . 1 1 121 121 GLN HE22 H 1 7.30 0.02 . 1 . . . A 121 GLN HE22 . 17611 1 1517 . 1 1 121 121 GLN C C 13 177.5 0.2 . 1 . . . A 121 GLN C . 17611 1 1518 . 1 1 121 121 GLN CA C 13 58.5 0.2 . 1 . . . A 121 GLN CA . 17611 1 1519 . 1 1 121 121 GLN CB C 13 29.5 0.2 . 1 . . . A 121 GLN CB . 17611 1 1520 . 1 1 121 121 GLN CG C 13 34.2 0.2 . 1 . . . A 121 GLN CG . 17611 1 1521 . 1 1 121 121 GLN CD C 13 180.4 0.2 . 1 . . . A 121 GLN CD . 17611 1 1522 . 1 1 121 121 GLN N N 15 120.4 0.2 . 1 . . . A 121 GLN N . 17611 1 1523 . 1 1 121 121 GLN NE2 N 15 114.5 0.2 . 1 . . . A 121 GLN NE2 . 17611 1 1524 . 1 1 122 122 ALA H H 1 8.34 0.02 . 1 . . . A 122 ALA H . 17611 1 1525 . 1 1 122 122 ALA HA H 1 4.23 0.02 . 1 . . . A 122 ALA HA . 17611 1 1526 . 1 1 122 122 ALA HB1 H 1 1.75 0.02 . 1 . . . A 122 ALA HB1 . 17611 1 1527 . 1 1 122 122 ALA HB2 H 1 1.75 0.02 . 1 . . . A 122 ALA HB2 . 17611 1 1528 . 1 1 122 122 ALA HB3 H 1 1.75 0.02 . 1 . . . A 122 ALA HB3 . 17611 1 1529 . 1 1 122 122 ALA C C 13 181.4 0.2 . 1 . . . A 122 ALA C . 17611 1 1530 . 1 1 122 122 ALA CA C 13 55.5 0.2 . 1 . . . A 122 ALA CA . 17611 1 1531 . 1 1 122 122 ALA CB C 13 18.4 0.2 . 1 . . . A 122 ALA CB . 17611 1 1532 . 1 1 122 122 ALA N N 15 122.3 0.2 . 1 . . . A 122 ALA N . 17611 1 1533 . 1 1 123 123 ILE H H 1 7.70 0.02 . 1 . . . A 123 ILE H . 17611 1 1534 . 1 1 123 123 ILE HA H 1 3.91 0.02 . 1 . . . A 123 ILE HA . 17611 1 1535 . 1 1 123 123 ILE HB H 1 1.81 0.02 . 1 . . . A 123 ILE HB . 17611 1 1536 . 1 1 123 123 ILE HG12 H 1 1.54 0.02 . 2 . . . A 123 ILE HG12 . 17611 1 1537 . 1 1 123 123 ILE HG13 H 1 0.52 0.02 . 2 . . . A 123 ILE HG13 . 17611 1 1538 . 1 1 123 123 ILE HG21 H 1 1.16 0.02 . 1 . . . A 123 ILE HG21 . 17611 1 1539 . 1 1 123 123 ILE HG22 H 1 1.16 0.02 . 1 . . . A 123 ILE HG22 . 17611 1 1540 . 1 1 123 123 ILE HG23 H 1 1.16 0.02 . 1 . . . A 123 ILE HG23 . 17611 1 1541 . 1 1 123 123 ILE HD11 H 1 0.22 0.02 . 1 . . . A 123 ILE HD11 . 17611 1 1542 . 1 1 123 123 ILE HD12 H 1 0.22 0.02 . 1 . . . A 123 ILE HD12 . 17611 1 1543 . 1 1 123 123 ILE HD13 H 1 0.22 0.02 . 1 . . . A 123 ILE HD13 . 17611 1 1544 . 1 1 123 123 ILE C C 13 178.2 0.2 . 1 . . . A 123 ILE C . 17611 1 1545 . 1 1 123 123 ILE CA C 13 65.8 0.2 . 1 . . . A 123 ILE CA . 17611 1 1546 . 1 1 123 123 ILE CB C 13 38.0 0.2 . 1 . . . A 123 ILE CB . 17611 1 1547 . 1 1 123 123 ILE CG1 C 13 29.5 0.2 . 1 . . . A 123 ILE CG1 . 17611 1 1548 . 1 1 123 123 ILE CG2 C 13 18.5 0.2 . 1 . . . A 123 ILE CG2 . 17611 1 1549 . 1 1 123 123 ILE CD1 C 13 13.0 0.2 . 1 . . . A 123 ILE CD1 . 17611 1 1550 . 1 1 123 123 ILE N N 15 119.7 0.2 . 1 . . . A 123 ILE N . 17611 1 1551 . 1 1 124 124 LEU H H 1 7.82 0.02 . 1 . . . A 124 LEU H . 17611 1 1552 . 1 1 124 124 LEU HA H 1 4.17 0.02 . 1 . . . A 124 LEU HA . 17611 1 1553 . 1 1 124 124 LEU HB2 H 1 1.92 0.02 . 2 . . . A 124 LEU HB2 . 17611 1 1554 . 1 1 124 124 LEU HB3 H 1 1.49 0.02 . 2 . . . A 124 LEU HB3 . 17611 1 1555 . 1 1 124 124 LEU HG H 1 1.87 0.02 . 1 . . . A 124 LEU HG . 17611 1 1556 . 1 1 124 124 LEU HD11 H 1 0.83 0.02 . 1 . . . A 124 LEU HD11 . 17611 1 1557 . 1 1 124 124 LEU HD12 H 1 0.83 0.02 . 1 . . . A 124 LEU HD12 . 17611 1 1558 . 1 1 124 124 LEU HD13 H 1 0.83 0.02 . 1 . . . A 124 LEU HD13 . 17611 1 1559 . 1 1 124 124 LEU HD21 H 1 0.77 0.02 . 1 . . . A 124 LEU HD21 . 17611 1 1560 . 1 1 124 124 LEU HD22 H 1 0.77 0.02 . 1 . . . A 124 LEU HD22 . 17611 1 1561 . 1 1 124 124 LEU HD23 H 1 0.77 0.02 . 1 . . . A 124 LEU HD23 . 17611 1 1562 . 1 1 124 124 LEU C C 13 179.2 0.2 . 1 . . . A 124 LEU C . 17611 1 1563 . 1 1 124 124 LEU CA C 13 57.5 0.2 . 1 . . . A 124 LEU CA . 17611 1 1564 . 1 1 124 124 LEU CB C 13 41.1 0.2 . 1 . . . A 124 LEU CB . 17611 1 1565 . 1 1 124 124 LEU CG C 13 26.7 0.2 . 1 . . . A 124 LEU CG . 17611 1 1566 . 1 1 124 124 LEU CD1 C 13 25.4 0.2 . 1 . . . A 124 LEU CD1 . 17611 1 1567 . 1 1 124 124 LEU CD2 C 13 22.8 0.2 . 1 . . . A 124 LEU CD2 . 17611 1 1568 . 1 1 124 124 LEU N N 15 119.6 0.2 . 1 . . . A 124 LEU N . 17611 1 1569 . 1 1 125 125 ASN H H 1 8.94 0.02 . 1 . . . A 125 ASN H . 17611 1 1570 . 1 1 125 125 ASN HA H 1 4.56 0.02 . 1 . . . A 125 ASN HA . 17611 1 1571 . 1 1 125 125 ASN HB2 H 1 3.16 0.02 . 2 . . . A 125 ASN HB2 . 17611 1 1572 . 1 1 125 125 ASN HB3 H 1 2.95 0.02 . 2 . . . A 125 ASN HB3 . 17611 1 1573 . 1 1 125 125 ASN HD21 H 1 7.26 0.02 . 2 . . . A 125 ASN HD21 . 17611 1 1574 . 1 1 125 125 ASN HD22 H 1 7.85 0.02 . 2 . . . A 125 ASN HD22 . 17611 1 1575 . 1 1 125 125 ASN C C 13 178.7 0.2 . 1 . . . A 125 ASN C . 17611 1 1576 . 1 1 125 125 ASN CA C 13 55.6 0.2 . 1 . . . A 125 ASN CA . 17611 1 1577 . 1 1 125 125 ASN CB C 13 37.0 0.2 . 1 . . . A 125 ASN CB . 17611 1 1578 . 1 1 125 125 ASN CG C 13 176.3 0.2 . 1 . . . A 125 ASN CG . 17611 1 1579 . 1 1 125 125 ASN N N 15 119.2 0.2 . 1 . . . A 125 ASN N . 17611 1 1580 . 1 1 125 125 ASN ND2 N 15 111.1 0.2 . 1 . . . A 125 ASN ND2 . 17611 1 1581 . 1 1 126 126 ASN H H 1 8.32 0.02 . 1 . . . A 126 ASN H . 17611 1 1582 . 1 1 126 126 ASN HA H 1 4.84 0.02 . 1 . . . A 126 ASN HA . 17611 1 1583 . 1 1 126 126 ASN HB2 H 1 3.67 0.02 . 2 . . . A 126 ASN HB2 . 17611 1 1584 . 1 1 126 126 ASN HB3 H 1 3.41 0.02 . 2 . . . A 126 ASN HB3 . 17611 1 1585 . 1 1 126 126 ASN HD21 H 1 7.92 0.02 . 1 . . . A 126 ASN HD21 . 17611 1 1586 . 1 1 126 126 ASN HD22 H 1 7.29 0.02 . 1 . . . A 126 ASN HD22 . 17611 1 1587 . 1 1 126 126 ASN C C 13 178.3 0.2 . 1 . . . A 126 ASN C . 17611 1 1588 . 1 1 126 126 ASN CA C 13 55.9 0.2 . 1 . . . A 126 ASN CA . 17611 1 1589 . 1 1 126 126 ASN CB C 13 38.8 0.2 . 1 . . . A 126 ASN CB . 17611 1 1590 . 1 1 126 126 ASN CG C 13 176.8 0.2 . 1 . . . A 126 ASN CG . 17611 1 1591 . 1 1 126 126 ASN N N 15 123.4 0.2 . 1 . . . A 126 ASN N . 17611 1 1592 . 1 1 126 126 ASN ND2 N 15 113.6 0.2 . 1 . . . A 126 ASN ND2 . 17611 1 1593 . 1 1 127 127 PHE H H 1 8.93 0.02 . 1 . . . A 127 PHE H . 17611 1 1594 . 1 1 127 127 PHE HA H 1 3.82 0.02 . 1 . . . A 127 PHE HA . 17611 1 1595 . 1 1 127 127 PHE HB2 H 1 3.22 0.02 . 2 . . . A 127 PHE HB2 . 17611 1 1596 . 1 1 127 127 PHE HB3 H 1 2.45 0.02 . 2 . . . A 127 PHE HB3 . 17611 1 1597 . 1 1 127 127 PHE HD1 H 1 5.59 0.02 . 3 . . . A 127 PHE HD1 . 17611 1 1598 . 1 1 127 127 PHE HD2 H 1 5.59 0.02 . 3 . . . A 127 PHE HD2 . 17611 1 1599 . 1 1 127 127 PHE HE1 H 1 6.75 0.02 . 3 . . . A 127 PHE HE1 . 17611 1 1600 . 1 1 127 127 PHE HE2 H 1 6.75 0.02 . 3 . . . A 127 PHE HE2 . 17611 1 1601 . 1 1 127 127 PHE HZ H 1 7.78 0.02 . 1 . . . A 127 PHE HZ . 17611 1 1602 . 1 1 127 127 PHE C C 13 175.8 0.2 . 1 . . . A 127 PHE C . 17611 1 1603 . 1 1 127 127 PHE CA C 13 61.6 0.2 . 1 . . . A 127 PHE CA . 17611 1 1604 . 1 1 127 127 PHE CB C 13 37.5 0.2 . 1 . . . A 127 PHE CB . 17611 1 1605 . 1 1 127 127 PHE CD1 C 13 131.2 0.2 . 3 . . . A 127 PHE CD1 . 17611 1 1606 . 1 1 127 127 PHE CD2 C 13 131.2 0.2 . 3 . . . A 127 PHE CD2 . 17611 1 1607 . 1 1 127 127 PHE CE1 C 13 130.0 0.2 . 3 . . . A 127 PHE CE1 . 17611 1 1608 . 1 1 127 127 PHE CE2 C 13 130.0 0.2 . 3 . . . A 127 PHE CE2 . 17611 1 1609 . 1 1 127 127 PHE CZ C 13 130.0 0.2 . 1 . . . A 127 PHE CZ . 17611 1 1610 . 1 1 127 127 PHE N N 15 124.0 0.2 . 1 . . . A 127 PHE N . 17611 1 1611 . 1 1 128 128 LYS H H 1 8.32 0.02 . 1 . . . A 128 LYS H . 17611 1 1612 . 1 1 128 128 LYS HA H 1 3.46 0.02 . 1 . . . A 128 LYS HA . 17611 1 1613 . 1 1 128 128 LYS HB2 H 1 2.05 0.02 . 2 . . . A 128 LYS HB2 . 17611 1 1614 . 1 1 128 128 LYS HB3 H 1 2.05 0.02 . 2 . . . A 128 LYS HB3 . 17611 1 1615 . 1 1 128 128 LYS HG2 H 1 1.47 0.02 . 2 . . . A 128 LYS HG2 . 17611 1 1616 . 1 1 128 128 LYS HG3 H 1 1.05 0.02 . 2 . . . A 128 LYS HG3 . 17611 1 1617 . 1 1 128 128 LYS HD2 H 1 2.02 0.02 . 2 . . . A 128 LYS HD2 . 17611 1 1618 . 1 1 128 128 LYS HD3 H 1 1.61 0.02 . 2 . . . A 128 LYS HD3 . 17611 1 1619 . 1 1 128 128 LYS HE2 H 1 3.23 0.02 . 2 . . . A 128 LYS HE2 . 17611 1 1620 . 1 1 128 128 LYS HE3 H 1 3.06 0.02 . 2 . . . A 128 LYS HE3 . 17611 1 1621 . 1 1 128 128 LYS C C 13 177.3 0.2 . 1 . . . A 128 LYS C . 17611 1 1622 . 1 1 128 128 LYS CA C 13 60.1 0.2 . 1 . . . A 128 LYS CA . 17611 1 1623 . 1 1 128 128 LYS CB C 13 32.6 0.2 . 1 . . . A 128 LYS CB . 17611 1 1624 . 1 1 128 128 LYS CG C 13 24.9 0.2 . 1 . . . A 128 LYS CG . 17611 1 1625 . 1 1 128 128 LYS CD C 13 29.8 0.2 . 1 . . . A 128 LYS CD . 17611 1 1626 . 1 1 128 128 LYS CE C 13 42.5 0.2 . 1 . . . A 128 LYS CE . 17611 1 1627 . 1 1 128 128 LYS N N 15 120.1 0.2 . 1 . . . A 128 LYS N . 17611 1 1628 . 1 1 129 129 ARG H H 1 7.58 0.02 . 1 . . . A 129 ARG H . 17611 1 1629 . 1 1 129 129 ARG HA H 1 4.13 0.02 . 1 . . . A 129 ARG HA . 17611 1 1630 . 1 1 129 129 ARG HB2 H 1 2.09 0.02 . 2 . . . A 129 ARG HB2 . 17611 1 1631 . 1 1 129 129 ARG HB3 H 1 2.04 0.02 . 2 . . . A 129 ARG HB3 . 17611 1 1632 . 1 1 129 129 ARG HG2 H 1 1.86 0.02 . 2 . . . A 129 ARG HG2 . 17611 1 1633 . 1 1 129 129 ARG HG3 H 1 1.71 0.02 . 2 . . . A 129 ARG HG3 . 17611 1 1634 . 1 1 129 129 ARG HD2 H 1 3.35 0.02 . 2 . . . A 129 ARG HD2 . 17611 1 1635 . 1 1 129 129 ARG HD3 H 1 3.35 0.02 . 2 . . . A 129 ARG HD3 . 17611 1 1636 . 1 1 129 129 ARG HE H 1 7.36 0.02 . 1 . . . A 129 ARG HE . 17611 1 1637 . 1 1 129 129 ARG C C 13 179.4 0.2 . 1 . . . A 129 ARG C . 17611 1 1638 . 1 1 129 129 ARG CA C 13 59.0 0.2 . 1 . . . A 129 ARG CA . 17611 1 1639 . 1 1 129 129 ARG CB C 13 30.1 0.2 . 1 . . . A 129 ARG CB . 17611 1 1640 . 1 1 129 129 ARG CG C 13 27.1 0.2 . 1 . . . A 129 ARG CG . 17611 1 1641 . 1 1 129 129 ARG CD C 13 43.5 0.2 . 1 . . . A 129 ARG CD . 17611 1 1642 . 1 1 129 129 ARG N N 15 116.2 0.2 . 1 . . . A 129 ARG N . 17611 1 1643 . 1 1 129 129 ARG NE N 15 110.6 0.2 . 1 . . . A 129 ARG NE . 17611 1 1644 . 1 1 130 130 HIS H H 1 8.50 0.02 . 1 . . . A 130 HIS H . 17611 1 1645 . 1 1 130 130 HIS HA H 1 4.25 0.02 . 1 . . . A 130 HIS HA . 17611 1 1646 . 1 1 130 130 HIS HB2 H 1 3.33 0.02 . 2 . . . A 130 HIS HB2 . 17611 1 1647 . 1 1 130 130 HIS HB3 H 1 3.33 0.02 . 2 . . . A 130 HIS HB3 . 17611 1 1648 . 1 1 130 130 HIS HD2 H 1 6.52 0.02 . 1 . . . A 130 HIS HD2 . 17611 1 1649 . 1 1 130 130 HIS HE1 H 1 7.57 0.02 . 1 . . . A 130 HIS HE1 . 17611 1 1650 . 1 1 130 130 HIS C C 13 178.0 0.2 . 1 . . . A 130 HIS C . 17611 1 1651 . 1 1 130 130 HIS CA C 13 60.6 0.2 . 1 . . . A 130 HIS CA . 17611 1 1652 . 1 1 130 130 HIS CB C 13 31.8 0.2 . 1 . . . A 130 HIS CB . 17611 1 1653 . 1 1 130 130 HIS CD2 C 13 116.5 0.2 . 1 . . . A 130 HIS CD2 . 17611 1 1654 . 1 1 130 130 HIS CE1 C 13 139.5 0.2 . 1 . . . A 130 HIS CE1 . 17611 1 1655 . 1 1 130 130 HIS N N 15 120.9 0.2 . 1 . . . A 130 HIS N . 17611 1 1656 . 1 1 130 130 HIS ND1 N 15 246.8 0.2 . 1 . . . A 130 HIS ND1 . 17611 1 1657 . 1 1 130 130 HIS NE2 N 15 169.8 0.2 . 1 . . . A 130 HIS NE2 . 17611 1 1658 . 1 1 131 131 VAL H H 1 8.21 0.02 . 1 . . . A 131 VAL H . 17611 1 1659 . 1 1 131 131 VAL HA H 1 3.19 0.02 . 1 . . . A 131 VAL HA . 17611 1 1660 . 1 1 131 131 VAL HB H 1 1.49 0.02 . 1 . . . A 131 VAL HB . 17611 1 1661 . 1 1 131 131 VAL HG11 H 1 0.51 0.02 . 1 . . . A 131 VAL HG11 . 17611 1 1662 . 1 1 131 131 VAL HG12 H 1 0.51 0.02 . 1 . . . A 131 VAL HG12 . 17611 1 1663 . 1 1 131 131 VAL HG13 H 1 0.51 0.02 . 1 . . . A 131 VAL HG13 . 17611 1 1664 . 1 1 131 131 VAL HG21 H 1 0.26 0.02 . 1 . . . A 131 VAL HG21 . 17611 1 1665 . 1 1 131 131 VAL HG22 H 1 0.26 0.02 . 1 . . . A 131 VAL HG22 . 17611 1 1666 . 1 1 131 131 VAL HG23 H 1 0.26 0.02 . 1 . . . A 131 VAL HG23 . 17611 1 1667 . 1 1 131 131 VAL C C 13 178.6 0.2 . 1 . . . A 131 VAL C . 17611 1 1668 . 1 1 131 131 VAL CA C 13 66.3 0.2 . 1 . . . A 131 VAL CA . 17611 1 1669 . 1 1 131 131 VAL CB C 13 31.5 0.2 . 1 . . . A 131 VAL CB . 17611 1 1670 . 1 1 131 131 VAL CG1 C 13 22.1 0.2 . 1 . . . A 131 VAL CG1 . 17611 1 1671 . 1 1 131 131 VAL CG2 C 13 23.5 0.2 . 1 . . . A 131 VAL CG2 . 17611 1 1672 . 1 1 131 131 VAL N N 15 118.6 0.2 . 1 . . . A 131 VAL N . 17611 1 1673 . 1 1 132 132 GLU H H 1 8.14 0.02 . 1 . . . A 132 GLU H . 17611 1 1674 . 1 1 132 132 GLU HA H 1 3.84 0.02 . 1 . . . A 132 GLU HA . 17611 1 1675 . 1 1 132 132 GLU HB2 H 1 2.06 0.02 . 2 . . . A 132 GLU HB2 . 17611 1 1676 . 1 1 132 132 GLU HB3 H 1 1.99 0.02 . 2 . . . A 132 GLU HB3 . 17611 1 1677 . 1 1 132 132 GLU HG2 H 1 2.57 0.02 . 2 . . . A 132 GLU HG2 . 17611 1 1678 . 1 1 132 132 GLU HG3 H 1 2.08 0.02 . 2 . . . A 132 GLU HG3 . 17611 1 1679 . 1 1 132 132 GLU C C 13 178.5 0.2 . 1 . . . A 132 GLU C . 17611 1 1680 . 1 1 132 132 GLU CA C 13 59.2 0.2 . 1 . . . A 132 GLU CA . 17611 1 1681 . 1 1 132 132 GLU CB C 13 28.9 0.2 . 1 . . . A 132 GLU CB . 17611 1 1682 . 1 1 132 132 GLU CG C 13 37.9 0.2 . 1 . . . A 132 GLU CG . 17611 1 1683 . 1 1 132 132 GLU N N 15 115.6 0.2 . 1 . . . A 132 GLU N . 17611 1 1684 . 1 1 133 133 SER H H 1 7.95 0.02 . 1 . . . A 133 SER H . 17611 1 1685 . 1 1 133 133 SER HA H 1 4.36 0.02 . 1 . . . A 133 SER HA . 17611 1 1686 . 1 1 133 133 SER HB2 H 1 3.92 0.02 . 2 . . . A 133 SER HB2 . 17611 1 1687 . 1 1 133 133 SER HB3 H 1 3.92 0.02 . 2 . . . A 133 SER HB3 . 17611 1 1688 . 1 1 133 133 SER C C 13 175.0 0.2 . 1 . . . A 133 SER C . 17611 1 1689 . 1 1 133 133 SER CA C 13 60.0 0.2 . 1 . . . A 133 SER CA . 17611 1 1690 . 1 1 133 133 SER CB C 13 63.5 0.2 . 1 . . . A 133 SER CB . 17611 1 1691 . 1 1 133 133 SER N N 15 112.8 0.2 . 1 . . . A 133 SER N . 17611 1 1692 . 1 1 134 134 HIS H H 1 7.53 0.02 . 1 . . . A 134 HIS H . 17611 1 1693 . 1 1 134 134 HIS HA H 1 4.64 0.02 . 1 . . . A 134 HIS HA . 17611 1 1694 . 1 1 134 134 HIS HB2 H 1 3.37 0.02 . 2 . . . A 134 HIS HB2 . 17611 1 1695 . 1 1 134 134 HIS HB3 H 1 2.80 0.02 . 2 . . . A 134 HIS HB3 . 17611 1 1696 . 1 1 134 134 HIS HD2 H 1 7.13 0.02 . 1 . . . A 134 HIS HD2 . 17611 1 1697 . 1 1 134 134 HIS C C 13 174.7 0.2 . 1 . . . A 134 HIS C . 17611 1 1698 . 1 1 134 134 HIS CA C 13 56.7 0.2 . 1 . . . A 134 HIS CA . 17611 1 1699 . 1 1 134 134 HIS CB C 13 28.7 0.2 . 1 . . . A 134 HIS CB . 17611 1 1700 . 1 1 134 134 HIS N N 15 119.2 0.2 . 1 . . . A 134 HIS N . 17611 1 1701 . 1 1 135 135 LEU H H 1 7.58 0.02 . 1 . . . A 135 LEU H . 17611 1 1702 . 1 1 135 135 LEU HA H 1 4.27 0.02 . 1 . . . A 135 LEU HA . 17611 1 1703 . 1 1 135 135 LEU HB2 H 1 1.67 0.02 . 2 . . . A 135 LEU HB2 . 17611 1 1704 . 1 1 135 135 LEU HB3 H 1 1.54 0.02 . 2 . . . A 135 LEU HB3 . 17611 1 1705 . 1 1 135 135 LEU HG H 1 1.76 0.02 . 1 . . . A 135 LEU HG . 17611 1 1706 . 1 1 135 135 LEU HD11 H 1 0.98 0.02 . 1 . . . A 135 LEU HD11 . 17611 1 1707 . 1 1 135 135 LEU HD12 H 1 0.98 0.02 . 1 . . . A 135 LEU HD12 . 17611 1 1708 . 1 1 135 135 LEU HD13 H 1 0.98 0.02 . 1 . . . A 135 LEU HD13 . 17611 1 1709 . 1 1 135 135 LEU HD21 H 1 0.88 0.02 . 1 . . . A 135 LEU HD21 . 17611 1 1710 . 1 1 135 135 LEU HD22 H 1 0.88 0.02 . 1 . . . A 135 LEU HD22 . 17611 1 1711 . 1 1 135 135 LEU HD23 H 1 0.88 0.02 . 1 . . . A 135 LEU HD23 . 17611 1 1712 . 1 1 135 135 LEU C C 13 177.2 0.2 . 1 . . . A 135 LEU C . 17611 1 1713 . 1 1 135 135 LEU CA C 13 55.5 0.2 . 1 . . . A 135 LEU CA . 17611 1 1714 . 1 1 135 135 LEU CB C 13 42.3 0.2 . 1 . . . A 135 LEU CB . 17611 1 1715 . 1 1 135 135 LEU CG C 13 26.4 0.2 . 1 . . . A 135 LEU CG . 17611 1 1716 . 1 1 135 135 LEU CD1 C 13 25.7 0.2 . 1 . . . A 135 LEU CD1 . 17611 1 1717 . 1 1 135 135 LEU CD2 C 13 23.6 0.2 . 1 . . . A 135 LEU CD2 . 17611 1 1718 . 1 1 135 135 LEU N N 15 121.4 0.2 . 1 . . . A 135 LEU N . 17611 1 1719 . 1 1 136 136 GLU H H 1 8.36 0.02 . 1 . . . A 136 GLU H . 17611 1 1720 . 1 1 136 136 GLU HA H 1 4.19 0.02 . 1 . . . A 136 GLU HA . 17611 1 1721 . 1 1 136 136 GLU HB2 H 1 1.92 0.02 . 2 . . . A 136 GLU HB2 . 17611 1 1722 . 1 1 136 136 GLU HB3 H 1 1.89 0.02 . 2 . . . A 136 GLU HB3 . 17611 1 1723 . 1 1 136 136 GLU HG2 H 1 2.23 0.02 . 2 . . . A 136 GLU HG2 . 17611 1 1724 . 1 1 136 136 GLU HG3 H 1 2.17 0.02 . 2 . . . A 136 GLU HG3 . 17611 1 1725 . 1 1 136 136 GLU C C 13 176.3 0.2 . 1 . . . A 136 GLU C . 17611 1 1726 . 1 1 136 136 GLU CA C 13 56.7 0.2 . 1 . . . A 136 GLU CA . 17611 1 1727 . 1 1 136 136 GLU CB C 13 30.2 0.2 . 1 . . . A 136 GLU CB . 17611 1 1728 . 1 1 136 136 GLU CG C 13 36.3 0.2 . 1 . . . A 136 GLU CG . 17611 1 1729 . 1 1 136 136 GLU N N 15 120.8 0.2 . 1 . . . A 136 GLU N . 17611 1 1730 . 1 1 137 137 HIS H H 1 8.27 0.02 . 1 . . . A 137 HIS H . 17611 1 1731 . 1 1 137 137 HIS HA H 1 4.57 0.02 . 1 . . . A 137 HIS HA . 17611 1 1732 . 1 1 137 137 HIS HB2 H 1 3.04 0.02 . 2 . . . A 137 HIS HB2 . 17611 1 1733 . 1 1 137 137 HIS HB3 H 1 3.04 0.02 . 2 . . . A 137 HIS HB3 . 17611 1 1734 . 1 1 137 137 HIS C C 13 173.9 0.2 . 1 . . . A 137 HIS C . 17611 1 1735 . 1 1 137 137 HIS CA C 13 56.0 0.2 . 1 . . . A 137 HIS CA . 17611 1 1736 . 1 1 137 137 HIS CB C 13 30.3 0.2 . 1 . . . A 137 HIS CB . 17611 1 1737 . 1 1 137 137 HIS N N 15 119.50 0.2 . 1 . . . A 137 HIS N . 17611 1 1738 . 1 1 138 138 HIS H H 1 8.09 0.02 . 1 . . . A 138 HIS H . 17611 1 1739 . 1 1 138 138 HIS HB2 H 1 3.09 0.02 . 2 . . . A 138 HIS HB2 . 17611 1 1740 . 1 1 138 138 HIS HB3 H 1 3.09 0.02 . 2 . . . A 138 HIS HB3 . 17611 1 1741 . 1 1 138 138 HIS N N 15 125.4 0.2 . 1 . . . A 138 HIS N . 17611 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 17611 _Spectral_peak_list.ID 1 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 105.940 5.185 6.373 8076156 105.940 8.647 6.372 6582233 105.940 4.399 6.375 75065280 105.940 7.929 6.375 31323720 105.940 1.406 6.374 7774886 105.940 6.374 6.375 370259360 105.940 1.207 6.375 61233940 105.940 4.172 6.375 21650368 105.950 3.670 6.375 23175664 105.950 4.968 6.375 16705173 107.267 3.116 6.060 2855728 107.280 2.952 6.978 17211202 107.290 2.682 6.976 10471426 107.290 1.418 6.977 4248990 107.300 0.939 6.978 8420977 107.320 0.938 6.054 8516061 107.320 2.687 6.052 8037483 107.330 1.413 6.050 5897869 107.330 6.972 6.051 113111528 107.340 2.953 6.052 12528103 107.340 6.049 6.978 114586720 107.630 3.388 8.041 9194806 107.650 3.030 8.039 3267705 107.660 3.706 8.041 84781384 107.660 4.385 8.040 16481172 107.660 0.863 8.040 30982030 107.670 4.070 8.041 52529400 107.670 8.284 8.041 46065180 107.670 8.793 8.042 4049113 107.670 6.935 8.044 7603415 107.700 2.500 8.040 4295442 108.020 1.744 8.135 6936390 108.050 8.831 8.129 5422841 108.050 4.444 8.136 11220743 108.060 2.196 8.133 48566848 108.060 3.933 8.134 89491648 108.060 1.178 8.135 6706326 108.060 8.132 8.134 437238400 108.060 8.271 8.134 47860508 108.070 4.139 8.133 22438594 108.190 2.158 7.592 22390630 108.190 8.448 7.592 46560712 108.190 1.426 7.592 64833740 108.190 4.338 7.590 95258960 108.190 4.418 7.592 92440400 108.190 0.891 7.592 27223906 108.190 3.946 7.592 108966128 108.190 8.163 7.592 101483720 108.190 1.920 7.592 23108614 108.190 2.328 7.592 18054072 108.210 9.171 7.592 16777872 108.297 0.990 6.417 3605183 108.299 5.698 6.404 4334496 108.330 6.406 5.894 29861246 108.340 5.897 6.407 35671804 108.340 2.288 6.408 7410532 108.340 2.293 5.895 6788655 108.365 1.597 5.898 3376518 108.370 0.745 6.416 3072822 108.382 0.992 5.901 3232684 108.384 1.594 6.413 2358801 108.385 5.706 5.889 3243893 108.410 2.575 10.168 10565964 108.420 9.503 10.171 3544808 108.430 8.019 10.170 8829911 108.440 4.221 10.168 92153600 108.440 10.172 10.168 323906784 108.440 1.261 10.168 103014304 108.440 0.874 10.168 36667028 108.440 4.746 10.168 29738044 108.450 2.070 10.169 20697476 108.730 2.666 8.238 9093435 108.730 2.055 8.238 26471518 108.740 2.540 8.238 11661450 108.740 2.221 8.237 23781370 108.740 4.729 8.237 155479360 108.740 8.235 8.237 503834656 108.740 9.275 8.238 6402043 108.740 4.019 8.238 32371090 108.740 7.102 8.238 3183142 108.750 6.954 8.237 8445233 109.030 1.400 6.730 8313802 109.030 7.939 6.727 9439575 109.050 7.365 6.725 6539402 109.050 1.704 6.728 6955732 109.060 4.466 6.727 41646332 109.060 1.184 6.728 54954376 109.060 4.341 6.730 8557038 109.070 6.725 6.728 165771120 109.070 1.908 6.729 25735252 109.070 5.389 6.728 18261844 109.070 0.851 6.729 12822518 109.080 1.553 6.727 21123342 109.090 4.557 8.905 7271682 109.090 1.966 8.906 21241536 109.090 3.854 8.906 94566840 109.090 9.035 8.905 40605860 109.100 0.940 8.905 116338872 109.100 8.691 6.730 4852960 109.100 2.096 8.906 16828470 109.100 2.487 8.907 9893473 109.110 7.061 8.905 46836864 109.110 3.932 8.909 65883788 109.110 7.761 8.909 6489375 109.440 2.997 7.453 17825950 109.440 3.839 7.453 16094485 109.440 1.351 7.452 50205652 109.440 7.451 7.452 676017408 109.440 8.783 7.452 38747504 109.440 1.172 7.453 33703308 109.450 4.625 7.452 31911398 109.450 4.059 7.454 23065768 109.450 3.342 7.451 7206722 109.470 1.756 7.456 4878364 110.530 1.847 7.031 7901570 110.530 1.968 7.033 8817615 110.530 1.031 7.032 22752628 110.540 1.631 7.031 12282284 110.540 0.781 7.035 7750250 110.550 1.398 7.032 33999368 110.550 1.502 7.032 17489128 110.550 3.010 7.032 19796836 110.550 3.077 7.032 26152226 110.630 3.345 7.350 6323610 110.950 0.559 6.853 6317044 110.960 0.564 7.442 6498312 110.960 1.207 7.441 12759543 110.980 2.269 7.441 19338016 110.980 2.417 7.441 22725858 110.990 6.842 7.441 430954304 111.000 1.210 6.851 9166864 111.000 2.890 8.897 7132212 111.000 7.447 6.844 433918816 111.010 8.375 8.894 8232223 111.010 2.103 8.897 6615401 111.020 7.328 8.895 8774724 111.020 1.391 8.896 13995144 111.020 9.164 8.896 38482912 111.030 1.160 8.896 31008232 111.030 3.569 8.896 16454401 111.030 4.225 8.897 34007976 111.030 3.755 8.897 35123444 111.030 4.477 8.896 56393704 111.030 9.261 8.898 9803289 111.040 2.271 6.853 15293410 111.040 2.955 7.848 11469241 111.040 3.155 7.848 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8.506 3481086 124.320 8.908 8.906 757503360 124.320 2.384 8.906 48918772 124.320 4.825 8.906 234818192 124.320 2.027 8.906 113044536 124.320 0.908 8.906 26403776 124.320 5.832 8.498 4985616 124.320 1.611 8.905 26701482 124.330 4.338 8.906 44491656 124.330 1.739 8.905 16834544 124.330 2.235 8.906 21404990 124.330 8.449 8.906 7531457 124.360 1.029 8.906 13474980 124.780 9.135 7.427 2909128 124.780 3.189 7.426 13970755 124.790 4.791 7.425 57960436 124.790 6.944 7.427 10861694 124.790 8.254 7.425 4914692 124.790 0.863 7.426 56066632 124.790 2.011 7.427 18228712 124.790 2.134 7.426 8833207 124.800 6.749 7.430 4983426 124.810 1.635 7.429 8041331 124.810 4.023 7.423 6327538 124.970 2.620 8.889 16161684 124.970 3.681 8.889 22164502 124.970 9.502 8.889 23977324 124.980 4.521 8.890 80671616 124.980 2.089 8.889 48451084 124.980 0.969 8.889 24966678 124.980 1.069 8.889 61250944 125.000 1.966 8.899 7900054 125.010 3.987 8.879 3789128 125.170 0.365 9.527 6264960 125.170 0.075 9.529 7408075 125.170 9.847 9.527 15794510 125.170 5.872 9.528 84651536 125.170 9.515 9.529 262680256 125.180 1.233 9.527 8409621 125.180 1.566 9.528 21347512 125.180 1.833 9.530 11512881 125.180 1.965 9.529 20977912 125.180 1.722 9.529 24622088 125.183 5.024 9.528 13968925 125.190 4.948 9.528 18217074 125.190 2.104 9.529 22258942 125.200 0.956 9.528 10801643 125.220 1.009 9.526 10535831 125.370 2.424 9.447 14739435 125.370 4.907 9.449 130163280 125.375 4.574 8.105 40740300 125.380 0.904 9.444 19136772 125.380 1.627 9.447 26950678 125.380 1.025 9.446 57763300 125.380 4.361 9.446 15715784 125.380 8.102 8.102 233280400 125.380 1.522 9.446 35621616 125.380 0.774 9.446 23780776 125.380 1.735 9.445 41243844 125.380 4.003 9.446 17650658 125.380 4.371 9.157 5462893 125.380 3.056 9.446 10706660 125.380 4.837 9.449 66693916 125.388 9.632 9.446 24085634 125.390 1.731 9.639 4276102 125.390 3.085 8.101 15678699 125.390 2.111 9.444 7178246 125.430 0.942 9.154 10513988 125.430 2.113 9.156 28047734 125.430 9.146 9.156 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8.790 11478106 125.650 0.861 8.792 21893058 125.650 3.383 8.791 18198698 125.650 3.188 8.792 52532156 125.650 8.800 8.791 160315024 125.650 5.069 8.791 24877800 125.660 1.561 8.790 15467937 125.660 0.621 8.791 23422082 125.660 1.410 8.792 28497792 125.660 7.972 8.792 15896611 125.660 4.741 8.793 5313758 125.780 4.078 7.116 7575696 125.820 4.155 7.116 18223884 125.830 0.401 7.117 30367770 125.830 4.243 7.117 9440861 125.830 7.113 7.116 241516624 125.830 3.818 7.116 58085624 125.840 8.290 7.115 32666214 125.860 3.081 7.117 5331766 125.860 2.640 7.118 9804055 125.870 4.513 7.119 6134682 126.230 3.350 9.718 11459940 126.230 0.288 9.715 6886711 126.240 5.591 9.717 10418900 126.240 4.486 9.719 7365618 126.240 2.811 9.717 17606624 126.240 6.324 9.718 35207388 126.240 1.681 9.718 26285696 126.240 7.047 9.718 22089200 126.240 9.719 9.718 265567584 126.240 0.513 9.721 7041727 126.240 4.084 9.718 16649342 126.240 1.346 9.717 7470116 126.250 6.748 9.717 12464545 126.270 7.150 9.053 5552213 126.270 8.651 9.053 7165888 126.290 3.053 9.052 24581570 126.300 7.872 9.053 6487194 126.300 5.268 9.052 61883124 126.300 9.045 9.052 207003152 126.300 4.978 9.052 21581434 126.310 2.448 9.051 12433127 126.310 2.527 9.052 8191660 126.310 2.963 9.054 20453316 126.313 4.909 9.052 21464994 126.313 9.208 9.053 17059746 126.330 1.209 9.050 4459570 126.550 1.805 9.551 7196444 126.550 1.583 9.557 8109968 126.560 1.380 9.555 21732644 126.560 2.428 9.554 15581518 126.570 0.665 9.554 21401818 126.570 4.719 9.554 111105920 126.570 9.545 9.554 332688064 126.570 0.993 9.551 11293702 126.570 2.093 9.553 42926832 126.570 1.948 9.552 12013662 126.570 2.137 9.552 20784332 126.680 3.748 8.739 18742468 126.680 4.772 8.738 93669160 126.680 8.740 8.737 96027664 126.680 3.994 8.738 30519560 126.680 2.759 8.738 27615108 126.690 7.980 8.738 21959818 126.750 1.420 9.849 6291245 126.760 9.520 9.849 22545336 126.760 0.077 9.850 10245675 126.770 5.543 9.847 10415448 126.780 1.262 9.849 8552495 126.780 1.565 9.853 5690429 126.780 1.038 9.850 27109376 126.780 2.107 9.850 25959314 126.780 5.075 9.850 66074452 126.780 9.845 9.850 214896656 126.790 4.784 9.851 12712600 126.800 1.730 9.848 19052440 127.030 5.081 9.510 26350630 127.080 4.411 9.501 4882602 127.110 8.240 9.508 4845562 127.130 1.104 9.504 12517966 127.130 3.841 9.507 7270996 127.130 4.221 9.508 18416694 127.130 2.097 9.507 47102320 127.140 0.908 9.507 82821408 127.140 5.202 9.507 105681216 127.140 9.498 9.507 321561376 127.140 9.169 9.507 29427514 127.180 10.174 9.501 4262488 127.270 3.684 8.519 5385444 127.280 3.423 8.519 5003774 127.290 1.570 8.517 7564754 127.290 0.516 8.517 12344722 127.290 7.407 8.518 11396921 127.290 3.906 8.517 8092238 127.290 2.292 8.519 3809012 127.290 7.922 8.516 10896023 127.300 7.275 8.517 5777021 127.300 0.745 8.518 5385017 127.300 4.529 8.517 55905632 127.300 8.522 8.518 352650784 127.300 1.351 8.518 38569104 127.300 1.168 8.518 25021310 127.310 4.162 8.517 20650374 127.310 0.222 8.516 7905842 127.320 7.647 8.517 6539216 127.460 4.911 8.708 7915095 127.470 1.753 8.711 7614414 127.470 1.021 8.709 11052437 127.480 9.140 8.708 16923444 127.480 2.097 8.707 5689265 127.480 4.367 8.708 80064296 127.480 0.743 8.708 13335864 127.480 5.056 8.709 16261201 127.490 0.087 8.708 7122862 127.490 -0.049 8.708 25366268 127.490 1.405 8.708 18026766 127.490 1.638 8.709 20827744 127.500 9.402 8.708 6169566 127.500 1.864 8.708 9463797 128.110 1.734 9.631 9057819 128.110 5.088 9.630 8496677 128.110 8.444 9.633 8459282 128.120 4.337 9.632 9327450 128.120 3.998 9.630 30252510 128.120 2.153 9.632 5844034 128.120 1.607 9.630 5743524 128.120 1.428 9.630 5166024 128.120 9.627 9.630 195280816 128.130 4.827 9.630 82267408 128.130 1.025 9.630 36714528 128.150 0.900 9.633 9175397 128.220 9.470 9.632 17408546 128.250 5.271 8.675 9135422 128.290 2.424 8.673 4519372 128.300 1.476 8.674 13812766 128.300 3.029 8.672 11434521 128.300 4.984 8.670 19671394 128.300 4.910 8.673 42484212 128.300 2.255 8.674 7977646 128.300 8.672 8.674 148315792 128.310 9.268 8.671 9519165 128.320 1.921 8.674 10656298 128.320 1.320 8.674 6803850 128.320 1.597 8.672 6619031 128.530 8.826 9.516 5429128 128.560 2.070 9.513 38420592 128.560 4.302 9.514 19976844 128.570 0.669 9.513 12222727 128.570 9.245 9.513 21192426 128.570 4.667 9.514 97617592 128.570 0.943 9.514 59566384 128.580 7.913 9.513 6242396 128.580 6.983 9.514 16423354 128.590 4.948 9.514 10248937 128.590 1.822 9.512 11865574 128.640 2.991 8.032 7959642 128.650 4.971 8.035 27289378 128.650 1.910 8.030 6789855 128.650 8.719 8.033 9527376 128.650 8.782 8.031 8538444 128.660 0.738 8.032 14111040 128.660 3.517 8.034 36079432 128.660 6.341 8.033 21291800 128.660 1.178 8.034 38306000 128.660 4.272 8.034 85862848 128.660 3.174 8.037 6091570 128.660 2.633 8.035 29450678 128.667 8.350 8.034 13109271 128.670 5.168 8.034 15843149 128.700 1.407 8.034 5935422 128.780 3.389 8.821 6378064 128.800 1.434 8.822 49417008 128.800 4.300 8.822 105100504 128.800 1.677 8.822 53070644 128.810 2.535 8.821 25489796 128.810 0.926 8.822 44917780 128.810 2.070 8.819 6005966 128.810 1.262 8.820 11996315 128.840 9.510 8.823 6365866 128.870 1.207 7.871 41571876 128.870 7.159 7.869 6506037 128.870 4.958 7.870 71160088 128.870 7.873 7.871 303440640 128.870 4.397 7.871 14501278 128.880 2.974 7.870 5545478 128.890 9.042 7.875 4393310 128.900 3.075 7.872 6267946 129.340 5.776 9.388 18598448 129.350 8.711 9.385 7427602 129.350 2.008 9.387 40097916 129.350 0.958 9.387 36411812 129.350 1.399 9.388 19940510 129.350 1.023 9.384 35665876 129.354 9.226 9.387 26851624 129.360 5.057 9.387 109325904 129.360 9.380 9.387 293844768 129.370 1.632 9.386 8555529 129.370 1.127 8.444 22950648 129.370 2.098 8.445 42002236 129.370 1.426 8.445 79636936 129.370 4.336 8.445 233777616 129.370 4.886 8.445 74312104 129.380 7.590 8.445 28968646 129.380 8.896 8.445 17590246 129.380 9.624 8.445 21648186 129.380 1.033 8.446 17293090 129.380 2.382 8.446 19253532 129.380 0.896 8.444 8417969 129.380 2.230 8.445 22384216 129.520 2.441 9.713 4497603 129.560 7.404 9.710 48896956 129.560 6.925 9.711 19036666 129.590 6.505 9.709 6291454 129.880 1.935 10.220 4452720 129.890 0.020 10.220 5467498 129.890 2.536 10.220 10432558 129.900 10.221 10.221 932820288 129.900 7.022 10.221 127283696 129.900 3.387 10.222 5782648 129.900 7.116 10.221 60340580 129.900 1.256 10.222 29069564 129.900 3.228 10.224 5317548 129.900 0.847 10.221 71561632 129.900 1.418 10.220 13730843 129.910 0.397 10.220 10954477 129.910 3.833 10.223 8816903 129.910 1.017 10.222 11333507 129.920 5.769 9.095 6169064 129.930 4.366 9.095 19400322 129.930 0.726 9.096 35468556 129.930 8.700 9.095 7536234 129.930 1.747 9.096 39852976 129.940 -0.049 9.095 14409560 129.940 5.089 9.096 95353928 129.940 8.593 9.096 23732244 129.940 0.904 9.096 16255069 129.940 9.089 9.096 298264896 129.940 1.022 9.096 54403072 129.950 5.203 9.097 34793216 129.950 9.498 9.095 9371861 129.950 3.989 9.091 6791576 130.860 3.198 10.339 5429430 130.870 7.140 10.340 96656416 130.870 2.233 10.344 4612141 130.870 7.508 10.340 56433912 130.870 0.862 10.340 20675192 130.880 2.731 10.340 9332701 130.880 7.011 10.342 9316077 130.890 3.006 10.341 3689526 131.310 7.919 8.727 2785051 131.350 5.214 8.726 17365878 131.350 4.305 8.727 18283552 131.350 1.336 8.726 53074360 131.350 8.723 8.726 257180640 131.350 1.125 8.726 35060316 131.350 1.925 8.727 4300608 131.360 4.189 8.726 66880968 131.390 9.562 8.723 3650334 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 N 15 HN 1 2326.0 . . . 17611 1 2 H 1 H 2 10201.2 . . . 17611 1 3 H 1 HN 1 13586.956 . . . 17611 1 stop_ save_ save_Cnoesy_aliph.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy_aliph.list _Spectral_peak_list.Entry_ID 17611 _Spectral_peak_list.ID 2 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC aliphatic' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 12.919 8.513 0.220 6750719 12.931 8.798 0.231 5253584 12.944 7.412 0.217 5805574 12.955 1.830 0.220 51180052 12.958 0.515 0.219 96020576 12.958 1.571 0.220 107208616 12.959 1.166 0.220 179808928 12.962 4.126 0.220 43724540 12.967 6.706 0.225 5206228 12.970 7.704 0.219 18430252 12.974 3.916 0.220 22468986 14.108 9.515 0.359 9406195 14.135 2.091 0.360 22461962 14.136 4.948 0.358 14067841 14.142 0.969 0.360 115085568 14.142 1.716 0.360 64471860 14.146 6.709 0.361 38556452 14.148 1.942 0.360 84743832 14.152 0.041 0.359 84487344 14.152 6.223 0.360 30413658 14.154 6.150 0.360 28699480 14.154 5.626 0.361 42579184 14.154 6.975 0.362 22497726 14.155 0.359 0.360 2322281216 14.155 1.233 0.360 138315824 14.157 7.118 0.357 10506553 14.161 4.278 0.363 5868100 14.185 5.800 0.359 9023158 14.200 6.637 0.360 26984188 14.229 6.135 0.301 7623537 14.285 2.450 0.298 9058745 14.290 1.259 0.300 93001896 14.301 1.683 0.302 24284666 14.302 0.104 0.299 148435952 14.304 4.155 0.300 54056812 14.309 1.318 0.300 90429672 14.310 4.831 0.300 16491066 14.315 3.771 0.299 65707332 14.319 1.122 0.299 52661976 14.322 7.693 0.303 6428734 14.325 0.734 0.300 134330320 14.325 8.168 0.300 26308706 14.339 7.076 0.300 25510630 14.489 7.613 0.706 6266020 14.496 3.688 0.705 31824050 14.501 3.921 0.705 34386892 14.502 1.055 0.704 167654560 14.503 2.355 0.704 56112572 14.505 6.508 0.705 27898914 14.506 1.336 0.704 98235120 14.506 2.405 0.704 57198760 14.509 4.335 0.705 17903284 14.510 8.502 0.705 10248814 14.511 2.106 0.705 43800004 14.514 0.226 0.703 54918840 14.529 6.310 0.705 17162656 14.541 8.818 0.706 17104966 15.994 7.055 1.589 43718908 16.000 7.165 1.589 36577680 16.000 6.403 1.589 25130378 16.002 2.280 1.589 55510280 16.005 2.421 1.588 84233560 16.009 1.937 1.587 156389424 16.010 0.215 1.590 95992672 16.010 4.161 1.590 46239028 16.020 5.896 1.588 37849364 16.039 8.764 1.589 15056400 16.042 6.780 1.589 9826864 16.053 4.989 1.591 17637428 16.061 5.328 1.582 9489788 16.066 1.158 1.585 6931680 16.399 3.952 1.260 20974760 16.401 9.167 1.261 11642971 16.407 8.023 1.258 29273882 16.415 4.227 1.258 29780216 16.417 4.739 1.257 209182704 16.422 10.173 1.258 149316432 16.425 2.074 1.255 43430344 16.989 0.697 2.062 16552082 16.994 4.025 2.058 61546356 16.995 2.466 2.062 122732640 17.002 1.046 2.058 110338208 17.020 8.161 0.100 17460650 17.022 7.681 0.098 29397372 17.023 7.503 2.227 21132234 17.033 2.294 0.099 37246896 17.035 1.093 0.098 97595904 17.036 1.690 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65.198 4.967 3.711 65320372 65.198 8.670 3.711 15641544 65.200 1.200 3.711 57650696 65.233 5.202 3.708 16508047 65.747 2.173 4.253 33532722 65.761 1.999 4.254 57609160 65.766 8.164 4.253 38285960 65.767 7.592 4.254 10041787 65.769 1.853 4.254 69418120 65.770 2.393 4.254 165876256 65.776 3.817 4.254 24820000 65.797 1.425 4.254 10439383 65.830 8.943 3.902 6710820 65.849 1.821 3.905 21209864 65.869 8.508 3.898 10894581 65.875 8.339 3.902 16334773 65.882 7.701 3.904 26967232 65.885 0.520 3.906 44365864 65.891 1.561 3.907 35443376 65.892 3.415 3.907 28893966 65.901 1.163 3.906 68888504 65.902 0.220 3.906 19190116 65.928 7.851 3.905 10551539 65.988 4.980 3.700 24149290 65.999 3.056 3.816 13423580 66.000 2.968 3.816 7599626 66.016 8.468 3.700 14752574 66.034 3.052 3.705 5435252 66.038 5.206 3.701 51850876 66.044 9.202 3.700 11777243 66.084 5.204 3.816 33947264 66.090 8.476 3.817 13569343 66.093 4.987 3.820 21497612 66.098 1.014 3.700 44121712 66.174 9.212 3.820 24856326 66.264 0.953 3.187 10719438 66.288 1.025 3.824 169716736 66.300 1.254 3.824 21402474 66.300 0.907 3.824 74920568 66.302 9.025 3.824 44038516 66.332 7.767 3.827 22412008 66.334 1.504 3.193 30663352 66.340 0.256 3.191 100702880 66.344 2.356 3.825 62451212 66.354 0.510 3.190 88608464 66.354 6.527 3.190 11123687 66.359 2.108 3.825 89918664 66.360 0.887 3.192 14283096 66.370 2.805 3.195 12302213 66.372 8.214 3.190 43232012 66.373 1.668 3.190 16466323 66.593 0.963 3.678 70362704 66.593 1.095 3.678 53030128 66.745 9.500 3.679 17847398 66.759 7.930 3.676 14289631 66.765 1.333 3.678 13405080 66.772 2.091 3.677 59971120 66.784 6.829 3.677 24624022 66.800 2.361 3.676 29300188 66.803 2.596 3.678 15546495 66.810 7.610 3.676 15839606 66.810 0.705 3.677 34527832 66.811 8.890 3.677 35018868 66.859 7.005 3.680 8147802 66.944 2.099 3.765 33045258 66.944 8.165 3.766 15226622 66.957 1.103 3.763 59814828 66.960 0.106 3.765 20795472 66.963 1.243 3.765 63949672 66.966 0.300 3.766 63567848 66.970 1.659 3.765 26972222 66.975 2.433 3.766 53885520 66.982 0.734 3.766 14505889 67.001 7.374 3.771 6442270 67.002 8.803 3.765 11646325 67.007 7.694 3.766 8146128 67.360 1.274 3.563 72365960 67.365 0.958 3.563 94929072 67.369 7.773 3.563 63587624 67.375 0.509 3.564 27346440 67.376 0.256 3.562 39089160 67.380 1.664 3.563 35771776 67.380 8.277 3.564 16789180 67.390 9.222 3.564 9151629 67.394 6.743 3.563 11002741 67.403 2.351 3.563 27186958 68.192 0.472 4.035 103243064 68.211 3.879 4.034 49101064 68.222 7.350 4.034 5247749 68.238 1.271 4.036 6470342 68.243 8.490 4.034 7731929 68.910 8.498 3.976 4602562 68.911 7.669 3.973 4640718 68.925 9.719 4.368 9973971 68.937 2.303 3.973 7845038 68.943 3.506 3.974 49580748 68.945 5.323 3.973 9625523 68.953 0.998 3.973 55272392 68.970 9.036 3.973 23711788 68.973 1.297 4.363 142759328 68.975 5.694 3.973 30988804 68.975 4.719 4.364 95529776 69.035 7.819 4.364 7217197 69.073 1.459 3.970 6948752 69.107 2.107 4.306 13335192 69.114 1.280 4.304 167937856 69.134 8.645 4.303 32703264 69.432 8.235 3.932 11387614 69.452 7.352 3.930 14939208 69.452 1.490 3.931 25334492 69.466 4.677 3.931 50377508 69.469 1.114 3.931 95002288 69.470 1.914 3.930 23414146 69.470 5.542 3.931 26560568 69.473 8.594 3.927 11887775 69.501 0.800 3.931 19200468 69.893 9.093 4.006 6780333 69.906 5.090 4.004 15958378 69.911 1.624 4.003 40361996 69.911 9.629 4.003 63494076 69.912 1.738 4.003 66697472 69.915 0.782 4.003 28842056 69.917 1.019 4.003 112542840 69.918 9.445 4.001 17547208 69.919 4.818 3.999 34557028 70.181 2.822 4.560 8299056 70.193 7.381 4.558 13289596 70.204 3.350 4.561 16981762 70.205 4.554 4.559 241878256 70.208 1.428 4.560 85611392 70.213 4.833 4.556 37282980 70.218 7.087 4.558 52218808 70.221 6.386 4.559 29757076 70.411 9.495 3.833 12386716 70.435 0.889 3.837 186725984 70.441 8.232 3.837 60645416 70.445 5.204 3.838 28537716 70.769 0.023 4.274 25431464 70.773 0.847 4.274 66036948 70.782 0.398 4.273 92312592 70.809 1.189 4.271 26139232 70.880 7.120 4.275 10792152 71.176 8.789 4.088 43966144 71.177 4.564 4.086 88497696 71.178 9.088 4.086 22605354 71.182 1.148 4.086 154946160 71.183 4.090 4.086 925440640 71.192 5.201 4.082 7478256 71.239 0.560 3.710 8034950 71.285 9.209 3.709 11574742 71.289 8.130 3.709 79585744 71.297 1.052 3.710 157742096 71.305 5.840 3.705 7091736 71.310 5.564 3.709 28159926 72.321 5.110 3.886 31023832 72.332 1.549 3.885 24061780 72.346 8.645 3.886 29676818 72.349 1.158 3.884 114396976 72.370 9.249 3.884 18214716 72.796 6.739 4.344 7434294 72.847 8.702 4.344 56615048 72.866 1.546 4.342 8663666 72.873 1.190 4.344 140622688 72.877 5.386 4.345 69380496 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 Caliph 1 13681.1 . . . 17611 2 2 H 1 H 2 9861.2 . . . 17611 2 3 H 1 HC 1 12755.102 . . . 17611 2 stop_ save_ save_Cnoesy_arom.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode Cnoesy_arom.list _Spectral_peak_list.Entry_ID 17611 _Spectral_peak_list.ID 3 _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $NC_sample _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC-aromatic' _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 Data Height 113.490 9.712 6.921 11276112 113.650 7.358 6.927 11948111 113.670 0.875 6.932 4712903 113.673 1.028 7.138 30268512 113.685 1.255 7.138 10724011 113.690 6.774 6.927 34997588 113.699 0.852 7.139 23467372 113.700 6.921 6.923 147706512 113.702 0.390 7.138 7527168 113.735 1.427 7.142 4954714 113.740 6.664 7.140 4978032 113.750 10.222 7.138 11513628 113.760 7.140 7.138 142212720 113.770 6.989 7.138 30722956 113.801 2.079 7.144 4254230 113.819 2.543 7.139 9359668 114.800 10.330 7.514 16115442 114.830 7.007 7.512 34924008 114.830 2.546 7.515 8596947 114.830 0.875 7.513 7614230 114.900 2.056 7.514 5819158 114.950 7.515 7.511 286317984 115.050 2.250 7.507 10339752 115.320 6.700 7.061 6921574 115.350 0.307 7.042 4531469 115.360 6.141 7.052 14691473 115.380 4.091 7.050 19886166 115.390 0.524 7.052 6513714 115.390 7.050 7.051 62925392 115.430 9.729 7.048 8621194 116.460 0.259 6.521 25562954 116.470 6.323 6.517 9629940 116.480 3.203 6.520 8254666 116.500 3.341 6.521 13606606 116.520 1.667 6.522 24412910 117.520 0.075 6.119 13937209 117.530 0.370 6.117 17265434 117.540 0.780 6.118 15102983 117.560 5.623 6.118 59525312 117.560 5.063 7.268 6711318 117.560 9.140 7.268 3615178 117.580 1.041 6.118 22665470 117.580 6.123 6.118 347393600 117.580 3.387 7.265 5023055 117.580 0.479 7.269 10010148 117.590 9.239 7.266 20887950 117.590 2.647 6.114 8060922 117.610 1.633 7.263 7071070 118.110 0.023 6.338 9650388 118.120 2.989 6.338 8616025 118.158 3.170 6.333 4674813 118.180 8.344 6.333 7057677 118.210 1.208 6.343 38703932 118.220 7.339 6.340 38316664 118.240 7.707 6.339 15806049 118.270 4.009 6.344 4801782 118.280 8.030 6.338 8665791 118.353 6.821 6.343 14904355 118.490 7.048 6.811 132939664 118.510 4.283 6.333 6838594 118.750 7.383 6.465 16495509 118.770 1.241 6.463 7709516 118.780 6.833 6.464 64400828 118.780 1.047 6.464 26719138 118.780 0.958 6.465 15318149 118.820 5.967 6.466 7450504 118.830 3.073 6.468 5162232 118.850 0.367 5.781 3019564 119.020 3.156 5.794 13765027 119.070 2.904 5.793 12566806 119.080 6.655 5.792 21317986 119.120 1.036 5.793 3959123 119.160 3.766 5.800 7133860 119.310 6.963 5.801 10771145 120.100 6.730 7.136 19810964 120.310 6.753 7.220 14708925 120.350 3.349 7.219 12848671 120.410 2.998 7.224 10072949 120.460 5.061 7.224 5171644 120.580 3.477 7.400 6913259 120.599 3.223 7.407 4624914 120.650 1.170 7.402 27122160 120.670 6.697 7.402 15973223 120.670 4.523 7.401 24651892 120.673 0.786 7.414 4511760 120.690 2.459 7.397 7839260 120.950 0.912 6.712 11494029 120.960 7.140 6.710 9180602 121.600 4.775 6.749 14561608 121.620 7.013 6.749 29379928 121.730 7.205 6.750 19439294 122.320 1.169 6.689 39763336 122.330 6.142 6.691 20696132 122.340 7.396 6.689 17504820 122.950 7.918 6.639 7197244 123.000 0.984 6.642 10584111 123.010 6.976 6.643 26501862 123.060 5.796 6.642 23800428 123.060 9.242 6.643 7816490 123.100 1.940 6.644 10508987 123.120 0.360 6.642 5842300 123.700 7.514 7.011 24748580 123.710 6.749 7.009 26441958 123.740 2.221 7.013 7698355 123.870 0.947 6.771 12003298 123.880 7.368 6.772 8816904 123.890 6.762 6.770 157601008 123.910 6.920 6.774 31583364 125.069 0.366 6.992 5286919 125.100 6.695 6.132 21815238 125.110 9.514 7.000 5879988 125.110 2.549 6.985 4996468 125.120 7.046 6.132 20745928 125.150 7.119 6.988 22938050 125.150 0.854 6.993 4377082 125.160 1.944 6.989 9003304 125.160 1.227 6.992 7409744 125.210 1.015 6.990 26061410 125.310 6.987 6.993 108923184 125.330 6.649 6.992 18807704 126.460 10.337 7.146 27553666 126.480 4.746 7.141 6333755 126.500 1.346 7.140 5026462 126.510 2.734 7.148 12792943 126.511 8.356 7.145 5378662 126.520 7.146 7.140 191905376 126.520 2.967 7.150 7040982 127.460 8.284 7.407 20262122 127.460 3.060 7.406 10315462 127.470 9.710 7.405 31435112 127.500 2.414 7.412 7038824 127.500 3.121 7.405 9211503 127.503 4.451 7.410 5725810 127.607 4.129 7.414 6132072 127.890 7.019 7.023 290752384 127.950 3.243 7.023 11597703 127.960 2.884 7.023 8152960 127.960 10.224 7.024 41593320 127.970 3.824 7.022 12141268 127.980 1.930 7.024 9819143 128.030 8.069 7.020 7256303 128.090 0.346 7.021 5771602 128.249 6.835 5.950 6835666 128.340 5.967 5.954 108116744 128.340 3.176 5.958 3329406 128.520 6.319 6.510 15950414 128.542 3.125 6.514 3490935 128.638 3.872 6.290 4424988 128.650 6.513 6.297 32322852 128.650 0.565 6.294 9059277 128.650 0.560 6.508 6746680 128.660 6.513 6.509 82622896 128.696 1.001 6.505 3472660 128.702 0.716 6.510 3691442 128.910 6.331 6.319 114662096 129.078 7.210 6.317 4866006 129.086 0.935 7.344 5991050 129.130 9.722 6.320 20847828 129.140 6.548 6.317 10750950 129.170 3.374 6.321 8121154 129.180 0.082 6.231 10196834 129.180 3.480 6.313 8430747 129.190 2.644 6.225 8875001 129.210 0.387 6.228 13079883 129.210 5.618 6.228 6942141 129.230 1.670 6.320 5790726 129.250 6.728 6.227 21172358 129.290 6.324 6.319 112111376 129.320 2.839 6.306 9231074 129.350 2.679 6.319 10402714 129.670 7.781 6.757 17301114 129.680 6.825 6.826 218541728 129.760 3.052 5.971 6235036 129.790 3.181 5.974 8423172 129.802 0.947 6.749 8266286 129.810 6.148 5.970 44304144 129.820 1.276 6.755 12329141 129.820 1.671 7.782 5874839 129.844 0.261 6.748 5051278 129.848 3.585 7.783 5184386 129.880 5.614 7.788 4641948 129.920 7.788 7.787 31334826 129.920 1.669 6.751 11325266 129.958 1.581 7.053 3705629 129.960 6.742 7.787 15428155 129.990 1.270 7.786 9367918 129.995 3.678 5.978 2998030 130.000 6.746 6.743 92207736 130.020 5.606 6.745 16257444 130.060 0.731 6.752 8196457 130.770 5.377 7.374 8810381 130.860 0.959 7.369 19777768 130.920 6.715 6.932 44738244 130.920 5.872 6.931 5939564 130.930 2.442 6.934 6862248 130.940 3.083 7.373 10880722 130.960 6.925 6.932 264966160 130.960 1.029 6.933 15363800 130.970 6.929 6.731 52248896 130.987 1.109 5.587 5666197 130.990 1.267 6.933 9278313 131.000 0.992 6.729 5324010 131.010 0.074 6.728 8489710 131.020 1.270 6.729 10997128 131.080 3.822 5.589 7020178 131.098 8.197 6.930 7571976 131.110 0.367 6.740 4820970 131.110 5.594 5.589 130301512 131.140 6.237 6.726 12573533 131.150 3.223 5.585 10237530 131.187 0.841 5.593 4759304 131.187 0.931 5.594 3410145 131.190 2.457 5.589 7588047 131.190 6.741 5.594 17661104 131.190 0.253 5.586 1813160 131.190 0.759 5.601 3814976 131.281 0.746 6.720 3182990 131.400 6.814 7.155 127805152 131.430 4.975 7.155 6793332 131.450 2.978 7.153 9039137 131.870 0.896 6.420 20153314 131.870 4.378 6.421 5638002 131.870 5.389 6.421 5196924 131.880 2.594 6.418 13882511 131.880 7.342 6.157 5916784 131.886 8.976 6.419 10351853 131.886 1.317 6.419 5152744 131.920 2.794 6.419 19976824 131.940 2.991 6.150 18190502 131.940 5.162 6.155 9082231 131.960 4.970 6.154 9893533 131.970 3.177 6.152 20291368 131.990 5.977 6.152 54977588 132.040 7.937 6.155 9275971 132.040 7.137 6.817 10371826 132.050 1.207 6.157 6471078 132.310 3.028 7.103 12204672 132.320 3.260 7.105 6879878 132.720 5.623 5.618 179740496 132.720 6.121 5.619 39781052 132.720 3.095 5.619 13109203 132.720 0.389 5.619 29891108 132.750 2.640 5.622 14651392 132.750 6.739 5.619 8023684 132.810 4.104 5.617 6400100 132.980 1.545 7.400 5320411 133.060 3.174 7.400 20990606 133.060 3.084 7.401 27514986 133.060 0.956 7.400 10997501 133.080 8.687 7.403 19095070 133.080 5.382 7.399 18229920 133.080 5.170 7.400 6553436 133.100 6.839 7.400 23812538 133.120 6.466 7.400 10368740 133.203 3.576 7.048 13710181 133.250 5.043 7.048 28764954 133.280 2.540 7.048 30393224 133.291 2.106 7.048 18293698 133.330 1.803 7.050 8866995 133.330 3.050 7.046 14246013 133.470 3.181 7.338 11773033 133.480 3.052 7.340 8897342 133.510 0.671 7.342 7888704 133.530 5.060 7.336 13580769 133.550 9.256 7.339 9617210 133.560 6.344 7.336 29526482 133.560 2.899 7.339 13549255 133.560 1.227 7.335 20661784 133.580 7.379 6.843 28044230 133.580 3.582 7.337 14122488 133.590 3.065 6.842 19622980 133.590 6.837 6.842 276516992 133.590 6.334 6.843 10428501 133.600 1.228 6.843 29178738 133.600 5.970 6.841 13392043 133.600 0.994 6.840 10479542 133.610 3.186 6.843 24326576 133.610 6.472 6.843 53116040 133.650 0.030 7.343 5177980 133.690 8.384 7.341 9005941 133.750 8.775 6.846 7562584 133.800 5.682 6.843 7350013 139.430 2.542 7.572 19830288 139.440 7.103 7.576 20521946 139.450 4.467 7.574 13872000 139.470 7.572 7.573 699350080 139.470 2.248 7.569 21461138 139.480 1.930 7.572 24870682 139.530 2.346 7.572 10722251 139.590 3.318 7.570 8257694 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 Carom 1 6413.526 . . . 17611 3 2 H 1 H 2 9946.2 . . . 17611 3 3 H 1 HC 1 12755.102 . . . 17611 3 stop_ save_ save_4D_ccnoesy_d2o.list _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode 4D_ccnoesy_d2o.list _Spectral_peak_list.Entry_ID 17611 _Spectral_peak_list.ID 4 _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $NC_sample_in_D2O _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Experiment_ID 19 _Spectral_peak_list.Experiment_name '4D CC-NOESY' _Spectral_peak_list.Number_of_spectral_dimensions 4 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; w1 w2 w3 w4 Data Height 13.617 21.318 1.138 1.524 -1216597 13.617 13.617 0.842 1.553 266353 13.617 29.595 0.057 5.024 -205894 13.617 23.670 0.260 6.526 -200963 13.617 22.871 0.778 5.784 156872 13.617 25.481 0.835 5.783 343072 13.617 23.082 0.970 5.415 195661 13.617 21.756 1.025 5.775 174066 13.617 15.357 1.732 5.083 -361018 13.617 13.617 1.901 5.011 -159958 13.617 16.633 2.364 5.077 -125587 13.617 19.199 2.526 5.032 -144519 13.617 21.713 2.583 5.413 -193695 13.617 21.703 2.786 5.413 -181420 13.617 19.201 3.061 5.028 -231526 13.617 30.265 3.588 5.027 -219212 13.617 30.247 4.039 5.029 -344080 13.617 33.434 5.057 5.780 -368249 13.617 13.617 5.090 5.550 356315 13.617 30.760 5.230 5.414 -456066 13.617 14.608 5.872 5.032 292310 13.617 14.491 6.339 4.000 -163866 13.617 21.472 5.340 4.990 484448 13.617 22.273 1.006 4.988 122884 13.617 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3.505 3.972 660809 27.606 26.405 -0.239 5.588 135123 27.622 22.510 1.274 6.941 -151131 27.633 27.646 5.592 5.594 853676 27.637 22.012 1.025 6.941 -203604 27.666 22.005 1.275 4.305 1812100 27.673 21.432 0.734 6.942 -130833 27.682 18.704 2.407 6.953 92987 27.698 19.642 1.639 5.580 -66700 27.713 21.832 0.933 5.590 -99773 27.720 22.344 4.259 4.299 1368100 27.735 22.226 1.000 3.974 778579 27.777 27.792 0.124 6.934 322200 27.807 16.750 2.465 5.573 88766 27.810 20.362 3.814 5.565 -86016 27.844 14.685 4.954 7.154 -115752 28.034 19.932 3.026 7.150 78796 28.045 22.577 3.265 1.557 -416928 28.046 16.542 2.150 1.576 -146256 28.093 22.579 3.329 1.576 -396238 28.120 19.546 0.942 1.577 170208 28.125 16.690 2.412 1.569 -104471 28.191 21.376 0.941 1.575 121177 28.278 21.651 2.574 6.424 144108 28.297 25.179 -0.474 6.421 238974 28.340 28.340 6.419 6.421 2688776 28.342 31.684 4.345 6.420 151296 28.353 16.532 4.968 6.154 -95493 28.356 21.691 2.774 6.422 158924 28.373 21.760 1.016 4.001 832747 28.416 21.043 0.902 6.420 -243559 28.420 28.409 6.152 6.152 2042700 28.437 28.423 4.001 4.001 2745804 28.447 21.600 3.162 6.155 160092 28.470 14.310 5.162 6.159 -93714 28.485 21.554 2.987 6.146 168416 28.487 26.229 5.976 6.153 246588 28.506 25.453 0.784 4.000 292124 28.526 31.272 6.291 0.501 60334 28.534 21.530 1.160 6.157 -65403 28.637 20.978 3.264 7.109 149587 28.678 22.830 2.813 4.561 -79457 28.686 32.625 0.051 0.491 72343 28.709 19.724 4.833 4.561 417398 28.711 14.484 6.369 6.151 87705 28.715 21.026 3.041 7.110 170015 28.715 28.723 4.561 4.562 3293940 28.731 21.315 1.422 4.563 898076 28.743 15.423 4.887 7.104 -91768 28.754 22.554 3.356 4.560 -125893 28.820 19.399 4.060 0.509 57099 28.849 16.954 0.091 0.494 106884 28.887 17.173 0.114 0.530 142837 28.899 28.932 1.354 0.521 148070 28.918 14.424 0.306 0.524 284326 29.040 18.197 2.653 5.623 142966 29.108 18.220 3.086 5.625 135101 29.130 21.656 0.403 5.631 -321410 29.142 13.954 6.132 5.629 606651 29.154 29.150 5.633 5.631 1888299 29.196 14.175 0.359 5.627 -223190 29.198 19.008 4.103 5.630 -152901 29.296 22.093 0.028 4.275 204480 29.338 26.429 0.850 4.279 424485 29.360 19.256 4.154 4.274 472935 29.360 29.356 4.278 4.277 3155929 29.366 21.645 0.405 4.276 767610 29.388 23.079 0.965 7.402 -125124 29.403 21.810 1.177 4.273 211656 29.410 30.008 5.378 7.400 99692 29.441 19.050 3.089 7.406 149997 29.451 30.066 -0.145 7.404 220274 29.456 29.500 0.519 0.526 348876 29.479 13.864 5.152 7.403 -115417 29.484 27.390 0.388 7.408 1276691 29.491 29.486 0.408 7.406 4267674 29.501 18.528 5.412 7.408 -126188 29.560 19.965 1.424 4.895 -1187079 29.568 19.025 3.179 7.403 150623 29.577 29.647 3.803 4.896 1078397 29.668 29.482 1.786 7.049 -127593 29.678 19.225 3.065 7.050 206143 29.678 13.617 5.025 7.051 -223398 29.681 19.271 2.531 7.050 238758 29.697 14.835 -0.190 7.053 3942185 29.761 23.781 0.880 3.323 -98135 29.819 29.794 3.341 3.338 882634 29.820 29.829 3.803 3.338 580457 29.879 21.338 1.070 3.342 -352969 29.881 29.230 4.668 3.341 296633 29.885 32.528 1.932 3.334 -148245 29.893 27.911 2.066 3.340 -308777 29.957 21.971 0.048 7.337 -84712 29.974 29.569 0.401 6.851 285238 29.980 13.617 4.007 7.335 -93685 29.994 23.598 3.639 4.411 -152530 30.016 30.018 0.352 7.347 2220436 30.016 22.036 1.187 5.378 -524516 30.025 21.963 1.547 5.378 -1007838 30.027 17.937 3.579 7.346 200204 30.032 21.064 0.675 7.347 -179752 30.036 30.025 5.378 5.378 3150088 30.039 14.527 6.348 7.347 507065 30.045 18.530 5.409 5.378 -628768 30.046 19.571 1.228 7.346 -339100 30.053 18.402 5.069 7.346 -249175 30.059 31.470 4.344 5.374 -132025 30.063 16.367 4.976 4.406 -658964 30.073 19.544 1.227 6.847 -372974 30.073 14.561 6.358 6.847 175712 30.073 21.518 3.183 6.847 134455 30.073 21.484 3.058 6.847 160854 30.078 30.078 4.404 4.406 2418988 30.080 14.805 5.689 7.346 -123472 30.088 18.072 2.885 7.342 152497 30.093 15.155 6.469 6.847 0 30.094 30.085 -0.149 6.846 3018439 30.104 22.391 1.204 4.406 -938803 30.143 14.954 5.701 6.852 -117551 30.168 26.545 5.959 6.831 78045 30.192 21.945 1.405 5.215 -1021380 30.204 18.861 5.109 5.212 -787304 30.365 30.927 3.860 5.213 -65385 30.382 30.363 5.218 5.219 4160800 30.582 21.439 1.153 5.221 -338699 30.595 16.069 -0.062 7.157 241647 30.733 15.953 -0.075 6.920 984356 30.759 23.120 0.973 5.239 -491217 30.777 13.617 5.417 5.236 -498267 30.784 30.773 -0.076 6.922 1575367 30.791 26.416 0.853 7.146 301753 30.797 20.369 -0.229 6.923 -254610 30.801 17.503 2.530 7.147 267258 30.802 21.608 1.029 7.143 424383 30.816 21.603 -0.012 7.149 -252952 30.820 30.824 0.147 7.145 1898349 31.181 21.553 1.277 4.359 -1142869 31.214 20.676 2.747 4.358 201639 31.228 29.411 1.532 4.354 -307168 31.291 16.155 5.206 5.260 -641258 31.299 21.535 1.107 5.256 -851458 31.419 30.138 5.366 4.347 -130400 31.442 18.537 5.405 4.347 681133 31.443 31.451 5.231 5.230 5856782 31.448 25.210 6.373 4.337 71889 31.466 22.119 1.169 4.344 1149923 31.522 19.261 1.168 4.046 -889976 31.531 20.964 4.193 5.226 -648210 31.536 18.414 1.745 4.043 -403319 31.543 31.543 4.050 4.045 3537613 31.545 29.521 1.549 4.044 -133822 31.551 15.981 1.596 4.166 -247832 31.577 19.149 1.163 4.169 -176817 31.616 22.077 1.344 4.166 -1173516 31.715 28.320 6.419 4.338 150924 31.734 19.532 3.533 4.968 145650 31.736 19.451 1.337 4.339 -1069102 31.779 29.392 0.509 4.033 -108180 31.790 21.873 1.154 4.976 -133397 31.805 19.486 2.609 4.965 227875 31.808 15.640 2.233 7.515 -115340 31.864 31.861 0.516 7.515 3449564 31.887 20.156 0.014 7.514 -376861 31.919 15.647 2.062 7.515 -109240 31.932 18.835 0.865 7.516 123496 31.954 31.577 2.544 7.517 99279 31.986 17.160 2.244 7.514 62454 32.333 24.998 1.398 2.104 124276 32.455 18.931 4.099 7.060 331069 32.470 32.488 0.062 7.056 743518 32.540 28.902 0.509 7.058 71500 32.541 14.319 0.304 7.058 118066 32.541 21.564 6.139 7.057 -170269 32.590 24.732 1.057 2.085 48925 32.740 21.669 2.443 5.270 255460 32.751 32.742 5.268 5.269 3175766 32.765 33.987 4.897 5.268 0 32.874 21.916 3.030 5.266 175404 32.944 19.593 0.949 2.086 571887 32.987 21.523 0.902 2.086 598175 33.400 22.217 1.199 1.910 174494 33.427 14.023 4.477 1.918 93848 33.653 17.420 1.832 0.226 286511 33.654 29.567 1.555 0.225 -342540 33.669 20.333 4.122 0.226 -254679 33.676 31.514 4.084 0.226 140992 33.677 18.730 1.168 0.225 -1035185 33.682 16.028 1.592 0.225 -427117 33.708 29.561 0.514 0.224 -400160 33.712 33.722 0.225 0.225 13885863 33.729 24.511 3.912 0.226 -176535 33.809 23.665 0.257 6.524 271752 33.986 25.257 3.189 6.526 124208 33.987 19.563 1.663 6.526 0 33.987 25.489 6.330 6.526 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 C 13 Caliph 1 3121.3 . . . 17611 4 2 C 13 C 2 3121.3 . . . 17611 4 3 H 1 HC 2 4197.272 . . . 17611 4 4 H 1 HC 1 8000.000 . . . 17611 4 stop_ save_