data_50410 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50410 _Entry.Title ; NMR signal assignments and backbone dynamics of the apo-C-terminal domain of orange carotenoid protein from cyanobacteria ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-07-25 _Entry.Accession_date 2020-07-25 _Entry.Last_release_date 2020-07-27 _Entry.Original_release_date 2020-07-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Eugene Maksimov . G. . 0000-0001-6767-1501 50410 2 Yury Slonimskiy . . . . 50410 3 Gennady Laptev . . . . 50410 4 Dmitry Blokhin . . . . 50410 5 Chi-Fon Chang . . . . 50410 6 Thomas Friedrich . . . . 50410 7 Nikolai Sluchanko . . . . 50410 8 Vladimir Polshakov . . . 0000-0002-3216-5737 50410 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50410 heteronucl_NOEs 1 50410 heteronucl_T1_relaxation 1 50410 heteronucl_T2_relaxation 1 50410 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 496 50410 '15N chemical shifts' 129 50410 '1H chemical shifts' 881 50410 'T1 relaxation values' 108 50410 'T2 relaxation values' 108 50410 'heteronuclear NOE values' 108 50410 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-04-19 2020-07-25 update BMRB 'update entry citation' 50410 1 . . 2020-11-03 2020-07-25 original author 'original release' 50410 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6FEJ 'ANABAENA APO-C-TERMINAL DOMAIN HOMOLOG PROTEIN' 50410 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50410 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32939684 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR resonance assignment and backbone dynamics of a C-terminal domain homolog of orange carotenoid protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 15 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 17 _Citation.Page_last 23 _Citation.Year 2021 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Eugene Maksimov E. G. . . 50410 1 2 'Gennady Yu' Laptev G. Y. . . 50410 1 3 Dmitriy Blokhin D. S. . . 50410 1 4 Vladimir Klochkov V. V. . . 50410 1 5 Yury Slonimskiy Y. B. . . 50410 1 6 Nikolai Sluchanko N. N. . . 50410 1 7 Thomas Friedrich T. . . . 50410 1 8 Chi-Fon Chang C. F. . . 50410 1 9 Vladimir Polshakov V. I. . . 50410 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50410 _Assembly.ID 1 _Assembly.Name apoCTDH _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 ApoCTDH 1 $entity_1 . . yes native no no . . . 50410 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50410 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGKAAESLPNIQIKSIAGIT EPTILQYFATLNAGEFAATA ALFAVDGVMYPPFESGIVGP DAIAAYLQQEAQGIKAEPQQ GLAETSEDGHTQVQVSGKAQ TSWCGVNVLWLFTLNQEKQI IHTQIKLLASPQELLALRRE QHHHHHHH ; _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 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Recently, it was demonstrated that C-terminal domain homologs (CTDHs) of orange craotenoid protein (OCP) are standalone carotenoproteins participating in multidirectional carotenoid transfer between membranes and proteins. Non-covalent embedment of keto-carotenoid causes dimerization of the small 16-kDa water-soluble CTDH protein; however, dynamic interactions of CTDH with membranes and other proteins apparently require the monomeric state. Although crystallography recently provided static snapshots of the Anabaena CTDH (AnaCTDH) spatial structure in the apoform, predicting mobility of some putative functional segments, no crystallographic information on the holo-form of CTDH is presently available. C-terminal domain homolog (AnaCTDH) of OCP from Anabaena are of special interest as it was the first protein species shown to extract carotenoid molecules from membranes and provide for interprotein carotenoid transfer in vitro. Thus, CTDH presumably plays a role of the carotenoid shuttle between membrane and carotenoproteins. ; 50410 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 . 50410 1 2 . GLY . 50410 1 3 . LYS . 50410 1 4 . ALA . 50410 1 5 . ALA . 50410 1 6 . GLU . 50410 1 7 . SER . 50410 1 8 . LEU . 50410 1 9 . PRO . 50410 1 10 . ASN . 50410 1 11 . ILE . 50410 1 12 . GLN . 50410 1 13 . ILE . 50410 1 14 . LYS . 50410 1 15 . SER . 50410 1 16 . ILE . 50410 1 17 . ALA . 50410 1 18 . GLY . 50410 1 19 . ILE . 50410 1 20 . THR . 50410 1 21 . GLU . 50410 1 22 . PRO . 50410 1 23 . THR . 50410 1 24 . ILE . 50410 1 25 . LEU . 50410 1 26 . GLN . 50410 1 27 . TYR . 50410 1 28 . PHE . 50410 1 29 . ALA . 50410 1 30 . THR . 50410 1 31 . LEU . 50410 1 32 . ASN . 50410 1 33 . ALA . 50410 1 34 . GLY . 50410 1 35 . GLU . 50410 1 36 . PHE . 50410 1 37 . ALA . 50410 1 38 . ALA . 50410 1 39 . THR . 50410 1 40 . ALA . 50410 1 41 . ALA . 50410 1 42 . LEU . 50410 1 43 . PHE . 50410 1 44 . ALA . 50410 1 45 . VAL . 50410 1 46 . ASP . 50410 1 47 . GLY . 50410 1 48 . VAL . 50410 1 49 . MET . 50410 1 50 . TYR . 50410 1 51 . PRO . 50410 1 52 . PRO . 50410 1 53 . PHE . 50410 1 54 . GLU . 50410 1 55 . SER . 50410 1 56 . GLY . 50410 1 57 . ILE . 50410 1 58 . VAL . 50410 1 59 . GLY . 50410 1 60 . PRO . 50410 1 61 . ASP . 50410 1 62 . ALA . 50410 1 63 . ILE . 50410 1 64 . ALA . 50410 1 65 . ALA . 50410 1 66 . TYR . 50410 1 67 . LEU . 50410 1 68 . GLN . 50410 1 69 . GLN . 50410 1 70 . GLU . 50410 1 71 . ALA . 50410 1 72 . GLN . 50410 1 73 . GLY . 50410 1 74 . ILE . 50410 1 75 . LYS . 50410 1 76 . ALA . 50410 1 77 . GLU . 50410 1 78 . PRO . 50410 1 79 . GLN . 50410 1 80 . GLN . 50410 1 81 . GLY . 50410 1 82 . LEU . 50410 1 83 . ALA . 50410 1 84 . GLU . 50410 1 85 . THR . 50410 1 86 . SER . 50410 1 87 . GLU . 50410 1 88 . ASP . 50410 1 89 . GLY . 50410 1 90 . HIS . 50410 1 91 . THR . 50410 1 92 . GLN . 50410 1 93 . VAL . 50410 1 94 . GLN . 50410 1 95 . VAL . 50410 1 96 . SER . 50410 1 97 . GLY . 50410 1 98 . LYS . 50410 1 99 . ALA . 50410 1 100 . GLN . 50410 1 101 . THR . 50410 1 102 . SER . 50410 1 103 . TRP . 50410 1 104 . CYS . 50410 1 105 . GLY . 50410 1 106 . VAL . 50410 1 107 . ASN . 50410 1 108 . VAL . 50410 1 109 . LEU . 50410 1 110 . TRP . 50410 1 111 . LEU . 50410 1 112 . PHE . 50410 1 113 . THR . 50410 1 114 . LEU . 50410 1 115 . ASN . 50410 1 116 . GLN . 50410 1 117 . GLU . 50410 1 118 . LYS . 50410 1 119 . GLN . 50410 1 120 . ILE . 50410 1 121 . ILE . 50410 1 122 . HIS . 50410 1 123 . THR . 50410 1 124 . GLN . 50410 1 125 . ILE . 50410 1 126 . LYS . 50410 1 127 . LEU . 50410 1 128 . LEU . 50410 1 129 . ALA . 50410 1 130 . SER . 50410 1 131 . PRO . 50410 1 132 . GLN . 50410 1 133 . GLU . 50410 1 134 . LEU . 50410 1 135 . LEU . 50410 1 136 . ALA . 50410 1 137 . LEU . 50410 1 138 . ARG . 50410 1 139 . ARG . 50410 1 140 . GLU . 50410 1 141 . GLN . 50410 1 142 . HIS . 50410 1 143 . HIS . 50410 1 144 . HIS . 50410 1 145 . HIS . 50410 1 146 . HIS . 50410 1 147 . HIS . 50410 1 148 . HIS . 50410 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 50410 1 . GLY 2 2 50410 1 . LYS 3 3 50410 1 . ALA 4 4 50410 1 . ALA 5 5 50410 1 . GLU 6 6 50410 1 . SER 7 7 50410 1 . LEU 8 8 50410 1 . PRO 9 9 50410 1 . ASN 10 10 50410 1 . ILE 11 11 50410 1 . GLN 12 12 50410 1 . ILE 13 13 50410 1 . LYS 14 14 50410 1 . SER 15 15 50410 1 . ILE 16 16 50410 1 . ALA 17 17 50410 1 . GLY 18 18 50410 1 . ILE 19 19 50410 1 . THR 20 20 50410 1 . GLU 21 21 50410 1 . PRO 22 22 50410 1 . THR 23 23 50410 1 . ILE 24 24 50410 1 . LEU 25 25 50410 1 . GLN 26 26 50410 1 . TYR 27 27 50410 1 . PHE 28 28 50410 1 . ALA 29 29 50410 1 . THR 30 30 50410 1 . LEU 31 31 50410 1 . ASN 32 32 50410 1 . ALA 33 33 50410 1 . GLY 34 34 50410 1 . GLU 35 35 50410 1 . PHE 36 36 50410 1 . ALA 37 37 50410 1 . ALA 38 38 50410 1 . THR 39 39 50410 1 . ALA 40 40 50410 1 . ALA 41 41 50410 1 . LEU 42 42 50410 1 . PHE 43 43 50410 1 . ALA 44 44 50410 1 . VAL 45 45 50410 1 . ASP 46 46 50410 1 . GLY 47 47 50410 1 . VAL 48 48 50410 1 . MET 49 49 50410 1 . TYR 50 50 50410 1 . PRO 51 51 50410 1 . PRO 52 52 50410 1 . PHE 53 53 50410 1 . GLU 54 54 50410 1 . SER 55 55 50410 1 . GLY 56 56 50410 1 . ILE 57 57 50410 1 . VAL 58 58 50410 1 . GLY 59 59 50410 1 . PRO 60 60 50410 1 . ASP 61 61 50410 1 . ALA 62 62 50410 1 . ILE 63 63 50410 1 . ALA 64 64 50410 1 . ALA 65 65 50410 1 . TYR 66 66 50410 1 . LEU 67 67 50410 1 . GLN 68 68 50410 1 . GLN 69 69 50410 1 . GLU 70 70 50410 1 . ALA 71 71 50410 1 . GLN 72 72 50410 1 . GLY 73 73 50410 1 . ILE 74 74 50410 1 . LYS 75 75 50410 1 . ALA 76 76 50410 1 . GLU 77 77 50410 1 . PRO 78 78 50410 1 . GLN 79 79 50410 1 . GLN 80 80 50410 1 . GLY 81 81 50410 1 . LEU 82 82 50410 1 . ALA 83 83 50410 1 . GLU 84 84 50410 1 . THR 85 85 50410 1 . SER 86 86 50410 1 . GLU 87 87 50410 1 . ASP 88 88 50410 1 . GLY 89 89 50410 1 . HIS 90 90 50410 1 . THR 91 91 50410 1 . GLN 92 92 50410 1 . VAL 93 93 50410 1 . GLN 94 94 50410 1 . VAL 95 95 50410 1 . SER 96 96 50410 1 . GLY 97 97 50410 1 . LYS 98 98 50410 1 . ALA 99 99 50410 1 . GLN 100 100 50410 1 . THR 101 101 50410 1 . SER 102 102 50410 1 . TRP 103 103 50410 1 . CYS 104 104 50410 1 . GLY 105 105 50410 1 . VAL 106 106 50410 1 . ASN 107 107 50410 1 . VAL 108 108 50410 1 . LEU 109 109 50410 1 . TRP 110 110 50410 1 . LEU 111 111 50410 1 . PHE 112 112 50410 1 . THR 113 113 50410 1 . LEU 114 114 50410 1 . ASN 115 115 50410 1 . GLN 116 116 50410 1 . GLU 117 117 50410 1 . LYS 118 118 50410 1 . GLN 119 119 50410 1 . ILE 120 120 50410 1 . ILE 121 121 50410 1 . HIS 122 122 50410 1 . THR 123 123 50410 1 . GLN 124 124 50410 1 . ILE 125 125 50410 1 . LYS 126 126 50410 1 . LEU 127 127 50410 1 . LEU 128 128 50410 1 . ALA 129 129 50410 1 . SER 130 130 50410 1 . PRO 131 131 50410 1 . GLN 132 132 50410 1 . GLU 133 133 50410 1 . LEU 134 134 50410 1 . LEU 135 135 50410 1 . ALA 136 136 50410 1 . LEU 137 137 50410 1 . ARG 138 138 50410 1 . ARG 139 139 50410 1 . GLU 140 140 50410 1 . GLN 141 141 50410 1 . HIS 142 142 50410 1 . HIS 143 143 50410 1 . HIS 144 144 50410 1 . HIS 145 145 50410 1 . HIS 146 146 50410 1 . HIS 147 147 50410 1 . HIS 148 148 50410 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50410 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1167 organism . 'Anabaena sp.' 'Anabaena sp.' . . Bacteria . Anabaena 'Anabaena sp.' 'PCC 7120' . . . . . . . . . . all4940 . 50410 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50410 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . plasmid . . pCDFDuet-1 . . . 50410 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50410 _Sample.ID 1 _Sample.Name sample_1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 ApoCTDH '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM 0.1 . . . 50410 1 2 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM 0.1 . . . 50410 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 50410 1 4 dithiothreitol 'natural abundance' . . . . . . 2.7 . . mM 0.01 . . . 50410 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50410 _Sample.ID 2 _Sample.Name sample_2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 ApoCTDH '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM 0.1 . . . 50410 2 2 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM 0.1 . . . 50410 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 50410 2 4 dithiothreitol 'natural abundance' . . . . . . 2.7 . . mM 0.01 . . . 50410 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 50410 _Sample.ID 3 _Sample.Name sample_3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 ApoCTDH '[U-99% 15N]' . . 1 $entity_1 . . 0.6 . . mM 0.1 . . . 50410 3 2 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM 0.1 . . . 50410 3 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 50410 3 4 dithiothreitol 'natural abundance' . . . . . . 2.7 . . mM 0.01 . . . 50410 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 50410 _Sample.ID 4 _Sample.Name sample_4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 ApoCTDH 'natural abundance' . . 1 $entity_1 . . 0.8 . . mM 0.1 . . . 50410 4 2 'sodium phosphate' 'natural abundance' . . . . . . 40 . . mM 0.1 . . . 50410 4 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 50410 4 4 dithiothreitol 'natural abundance' . . . . . . 2.7 . . mM 0.01 . . . 50410 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50410 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition_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' 40 . mM 50410 1 pH 7.0 . pH 50410 1 pressure 1 . atm 50410 1 temperature 308 0.1 K 50410 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50410 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50410 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50410 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50410 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50410 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50410 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50410 _Software.ID 4 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50410 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 50410 _Software.ID 5 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50410 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 50410 _Software.ID 6 _Software.Type . _Software.Name RelaxFit _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 50410 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50410 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name AV600 _NMR_spectrometer.Details 'Equipped with triple resonance (1H, 13C, 15N) probe (Moscow)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50410 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name AV600_cryo _NMR_spectrometer.Details 'Equipped with triple resonance (1H, 13C, 15N) CryoProbe (Taipei)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 50410 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name AV700_cryo _NMR_spectrometer.Details 'Equipped with quadruple resonance (1H, 13C, 15N, 31P) CryoProbe (Kazan)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_5 _NMR_spectrometer.Entry_ID 50410 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name AV800_cryo _NMR_spectrometer.Details 'Equipped with triple resonance (1H, 13C, 15N) CryoProbe (Taipei)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_6 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_6 _NMR_spectrometer.Entry_ID 50410 _NMR_spectrometer.ID 5 _NMR_spectrometer.Name AV850_cryo _NMR_spectrometer.Details 'Equipped with triple resonance (1H, 13C, 15N) CryoProbe (Taipei)' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50410 _Experiment_list.ID 1 _Experiment_list.Details ; 5 '2D 1H-1H NOESY' '100 ms mixing time' 13 '3D 1H-15N TOCSY' '70 ms mixing time' 14 '3D 1H-15N TOCSY' '70 ms mixing time' 15 '3D 1H-15N NOESY' '120 ms mixing time' 16 '3D 1H-15N NOESY' '100 ms mixing time' 17 '3D 1H-13C NOESY aliphatic' '120 ms mixing time' 18 '3D 1H-13C NOESY' '120 ms mixing time' ; loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 50410 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 50410 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_6 . . . . . . . . . . . . . . . . . 50410 1 4 '2D DQF-COSY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50410 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50410 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50410 1 7 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50410 1 8 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50410 1 9 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50410 1 10 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50410 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50410 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50410 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50410 1 14 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 50410 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 50410 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 50410 1 17 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 50410 1 18 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_6 . . . . . . . . . . . . . . . . . 50410 1 19 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $NMR_spectrometer_5 . . . . . . . . . . . . . . . . . 50410 1 20 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_6 . . . . . . . . . . . . . . . . . 50410 1 21 '3D (H)CCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 5 $NMR_spectrometer_6 . . . . . . . . . . . . . . . . . 50410 1 22 '1H-15N heteronoe' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 50410 1 23 'T1/R1 relaxation' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 50410 1 24 'T2/R2 relaxation' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_4 . . . . . . . . . . . . . . . . . 50410 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50410 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference_set_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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 50410 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 50410 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 50410 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50410 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name apoCTDH_shifts _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 $chem_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' . . . 50410 1 3 '2D 1H-13C HSQC' . . . 50410 1 6 '3D HNCA' . . . 50410 1 7 '3D HN(CO)CA' . . . 50410 1 8 '3D HNCO' . . . 50410 1 9 '3D HN(CA)CO' . . . 50410 1 10 '3D HNCACB' . . . 50410 1 11 '3D CBCA(CO)NH' . . . 50410 1 12 '3D HBHA(CO)NH' . . . 50410 1 14 '3D 1H-15N TOCSY' . . . 50410 1 15 '3D 1H-15N NOESY' . . . 50410 1 16 '3D 1H-15N NOESY' . . . 50410 1 17 '3D 1H-13C NOESY aliphatic' . . . 50410 1 19 '3D HCCH-TOCSY' . . . 50410 1 20 '3D HCCH-TOCSY' . . . 50410 1 21 '3D (H)CCH-TOCSY' . . . 50410 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 50410 1 4 $software_4 . . 50410 1 5 $software_5 . . 50410 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 3 3 LYS HE2 H 1 2.948 0.001 . 1 . . . . . 3 K HE . 50410 1 2 . 1 . 1 3 3 LYS HE3 H 1 2.948 0.001 . 1 . . . . . 3 K HE . 50410 1 3 . 1 . 1 3 3 LYS CA C 13 56.088 0.000 . 1 . . . . . 3 K CA . 50410 1 4 . 1 . 1 3 3 LYS CB C 13 33.405 0.000 . 1 . . . . . 3 K CB . 50410 1 5 . 1 . 1 3 3 LYS CG C 13 24.625 0.004 . 1 . . . . . 3 K CG . 50410 1 6 . 1 . 1 3 3 LYS CD C 13 28.841 0.000 . 1 . . . . . 3 K CD . 50410 1 7 . 1 . 1 3 3 LYS CE C 13 41.814 0.117 . 1 . . . . . 3 K CE . 50410 1 8 . 1 . 1 4 4 ALA H H 1 8.425 0.000 . 1 . . . . . 4 A H . 50410 1 9 . 1 . 1 4 4 ALA HA H 1 4.249 0.010 . 1 . . . . . 4 A HA . 50410 1 10 . 1 . 1 4 4 ALA HB1 H 1 1.359 0.006 . 1 . . . . . 4 A MB . 50410 1 11 . 1 . 1 4 4 ALA HB2 H 1 1.359 0.006 . 1 . . . . . 4 A MB . 50410 1 12 . 1 . 1 4 4 ALA HB3 H 1 1.359 0.006 . 1 . . . . . 4 A MB . 50410 1 13 . 1 . 1 4 4 ALA C C 13 177.612 0.000 . 1 . . . . . 4 A C . 50410 1 14 . 1 . 1 4 4 ALA CA C 13 52.613 0.020 . 1 . . . . . 4 A CA . 50410 1 15 . 1 . 1 4 4 ALA CB C 13 19.080 0.035 . 1 . . . . . 4 A CB . 50410 1 16 . 1 . 1 4 4 ALA N N 15 125.882 0.000 . 1 . . . . . 4 A N . 50410 1 17 . 1 . 1 5 5 ALA H H 1 8.253 0.004 . 1 . . . . . 5 A H . 50410 1 18 . 1 . 1 5 5 ALA HA H 1 4.229 0.006 . 1 . . . . . 5 A HA . 50410 1 19 . 1 . 1 5 5 ALA HB1 H 1 1.358 0.008 . 1 . . . . . 5 A MB . 50410 1 20 . 1 . 1 5 5 ALA HB2 H 1 1.358 0.008 . 1 . . . . . 5 A MB . 50410 1 21 . 1 . 1 5 5 ALA HB3 H 1 1.358 0.008 . 1 . . . . . 5 A MB . 50410 1 22 . 1 . 1 5 5 ALA C C 13 177.742 0.029 . 1 . . . . . 5 A C . 50410 1 23 . 1 . 1 5 5 ALA CA C 13 52.609 0.068 . 1 . . . . . 5 A CA . 50410 1 24 . 1 . 1 5 5 ALA CB C 13 19.109 0.148 . 1 . . . . . 5 A CB . 50410 1 25 . 1 . 1 5 5 ALA N N 15 123.040 0.097 . 1 . . . . . 5 A N . 50410 1 26 . 1 . 1 6 6 GLU H H 1 8.255 0.003 . 1 . . . . . 6 E H . 50410 1 27 . 1 . 1 6 6 GLU HA H 1 4.236 0.010 . 1 . . . . . 6 E HA . 50410 1 28 . 1 . 1 6 6 GLU HB2 H 1 2.020 0.017 . 2 . . . . . 6 E HB2 . 50410 1 29 . 1 . 1 6 6 GLU HB3 H 1 1.904 0.008 . 2 . . . . . 6 E HB3 . 50410 1 30 . 1 . 1 6 6 GLU HG2 H 1 2.227 0.006 . 2 . . . . . 6 E HG2 . 50410 1 31 . 1 . 1 6 6 GLU HG3 H 1 2.227 0.006 . 2 . . . . . 6 E HG3 . 50410 1 32 . 1 . 1 6 6 GLU C C 13 176.364 0.007 . 1 . . . . . 6 E C . 50410 1 33 . 1 . 1 6 6 GLU CA C 13 56.603 0.100 . 1 . . . . . 6 E CA . 50410 1 34 . 1 . 1 6 6 GLU CB C 13 30.406 0.183 . 1 . . . . . 6 E CB . 50410 1 35 . 1 . 1 6 6 GLU CG C 13 36.306 0.056 . 1 . . . . . 6 E CG . 50410 1 36 . 1 . 1 6 6 GLU N N 15 119.440 0.112 . 1 . . . . . 6 E N . 50410 1 37 . 1 . 1 7 7 SER H H 1 8.144 0.006 . 1 . . . . . 7 S H . 50410 1 38 . 1 . 1 7 7 SER HA H 1 4.414 0.010 . 1 . . . . . 7 S HA . 50410 1 39 . 1 . 1 7 7 SER HB2 H 1 3.785 0.013 . 2 . . . . . 7 S HB2 . 50410 1 40 . 1 . 1 7 7 SER HB3 H 1 3.785 0.013 . 2 . . . . . 7 S HB3 . 50410 1 41 . 1 . 1 7 7 SER C C 13 173.903 0.016 . 1 . . . . . 7 S C . 50410 1 42 . 1 . 1 7 7 SER CA C 13 58.055 0.050 . 1 . . . . . 7 S CA . 50410 1 43 . 1 . 1 7 7 SER CB C 13 63.842 0.061 . 1 . . . . . 7 S CB . 50410 1 44 . 1 . 1 7 7 SER N N 15 116.240 0.087 . 1 . . . . . 7 S N . 50410 1 45 . 1 . 1 8 8 LEU H H 1 8.116 0.004 . 1 . . . . . 8 L H . 50410 1 46 . 1 . 1 8 8 LEU HA H 1 4.573 0.011 . 1 . . . . . 8 L HA . 50410 1 47 . 1 . 1 8 8 LEU HB2 H 1 1.582 0.009 . 2 . . . . . 8 L HB2 . 50410 1 48 . 1 . 1 8 8 LEU HB3 H 1 1.518 0.015 . 2 . . . . . 8 L HB3 . 50410 1 49 . 1 . 1 8 8 LEU HG H 1 1.606 0.022 . 1 . . . . . 8 L HG . 50410 1 50 . 1 . 1 8 8 LEU HD11 H 1 0.849 0.014 . 2 . . . . . 8 L MD1 . 50410 1 51 . 1 . 1 8 8 LEU HD12 H 1 0.849 0.014 . 2 . . . . . 8 L MD1 . 50410 1 52 . 1 . 1 8 8 LEU HD13 H 1 0.849 0.014 . 2 . . . . . 8 L MD1 . 50410 1 53 . 1 . 1 8 8 LEU C C 13 175.200 0.000 . 1 . . . . . 8 L C . 50410 1 54 . 1 . 1 8 8 LEU CA C 13 53.172 0.059 . 1 . . . . . 8 L CA . 50410 1 55 . 1 . 1 8 8 LEU CB C 13 41.868 0.104 . 1 . . . . . 8 L CB . 50410 1 56 . 1 . 1 8 8 LEU CG C 13 27.006 0.120 . 1 . . . . . 8 L CG . 50410 1 57 . 1 . 1 8 8 LEU CD1 C 13 25.181 0.000 . 2 . . . . . 8 L CD1 . 50410 1 58 . 1 . 1 8 8 LEU CD2 C 13 23.443 0.000 . 2 . . . . . 8 L CD2 . 50410 1 59 . 1 . 1 8 8 LEU N N 15 124.874 0.066 . 1 . . . . . 8 L N . 50410 1 60 . 1 . 1 9 9 PRO HA H 1 4.354 0.008 . 1 . . . . . 9 P HA . 50410 1 61 . 1 . 1 9 9 PRO HB2 H 1 2.208 0.008 . 2 . . . . . 9 P HB2 . 50410 1 62 . 1 . 1 9 9 PRO HB3 H 1 1.809 0.006 . 2 . . . . . 9 P HB3 . 50410 1 63 . 1 . 1 9 9 PRO HG2 H 1 1.943 0.010 . 2 . . . . . 9 P HG2 . 50410 1 64 . 1 . 1 9 9 PRO HD2 H 1 3.751 0.009 . 2 . . . . . 9 P HD2 . 50410 1 65 . 1 . 1 9 9 PRO HD3 H 1 3.576 0.009 . 2 . . . . . 9 P HD3 . 50410 1 66 . 1 . 1 9 9 PRO C C 13 176.452 0.001 . 1 . . . . . 9 P C . 50410 1 67 . 1 . 1 9 9 PRO CA C 13 63.278 0.073 . 1 . . . . . 9 P CA . 50410 1 68 . 1 . 1 9 9 PRO CB C 13 32.001 0.122 . 1 . . . . . 9 P CB . 50410 1 69 . 1 . 1 9 9 PRO CG C 13 27.252 0.022 . 1 . . . . . 9 P CG . 50410 1 70 . 1 . 1 9 9 PRO CD C 13 50.433 0.078 . 1 . . . . . 9 P CD . 50410 1 71 . 1 . 1 10 10 ASN H H 1 8.436 0.005 . 1 . . . . . 10 N H . 50410 1 72 . 1 . 1 10 10 ASN HA H 1 4.615 0.021 . 1 . . . . . 10 N HA . 50410 1 73 . 1 . 1 10 10 ASN HB2 H 1 2.768 0.009 . 2 . . . . . 10 N HB2 . 50410 1 74 . 1 . 1 10 10 ASN HB3 H 1 2.715 0.021 . 2 . . . . . 10 N HB3 . 50410 1 75 . 1 . 1 10 10 ASN HD21 H 1 7.524 0.000 . 2 . . . . . 10 N HD21 . 50410 1 76 . 1 . 1 10 10 ASN HD22 H 1 6.872 0.001 . 2 . . . . . 10 N HD22 . 50410 1 77 . 1 . 1 10 10 ASN C C 13 174.780 0.002 . 1 . . . . . 10 N C . 50410 1 78 . 1 . 1 10 10 ASN CA C 13 53.218 0.088 . 1 . . . . . 10 N CA . 50410 1 79 . 1 . 1 10 10 ASN CB C 13 38.379 0.070 . 1 . . . . . 10 N CB . 50410 1 80 . 1 . 1 10 10 ASN N N 15 117.865 0.105 . 1 . . . . . 10 N N . 50410 1 81 . 1 . 1 10 10 ASN ND2 N 15 112.250 0.092 . 1 . . . . . 10 N ND2 . 50410 1 82 . 1 . 1 11 11 ILE H H 1 7.723 0.006 . 1 . . . . . 11 I H . 50410 1 83 . 1 . 1 11 11 ILE HA H 1 4.122 0.011 . 1 . . . . . 11 I HA . 50410 1 84 . 1 . 1 11 11 ILE HB H 1 1.759 0.007 . 1 . . . . . 11 I HB . 50410 1 85 . 1 . 1 11 11 ILE HG12 H 1 1.040 0.005 . 2 . . . . . 11 I HG12 . 50410 1 86 . 1 . 1 11 11 ILE HG13 H 1 1.333 0.005 . 2 . . . . . 11 I HG13 . 50410 1 87 . 1 . 1 11 11 ILE HG21 H 1 0.732 0.008 . 1 . . . . . 11 I MG . 50410 1 88 . 1 . 1 11 11 ILE HG22 H 1 0.732 0.008 . 1 . . . . . 11 I MG . 50410 1 89 . 1 . 1 11 11 ILE HG23 H 1 0.732 0.008 . 1 . . . . . 11 I MG . 50410 1 90 . 1 . 1 11 11 ILE HD11 H 1 0.718 0.009 . 1 . . . . . 11 I MD . 50410 1 91 . 1 . 1 11 11 ILE HD12 H 1 0.718 0.009 . 1 . . . . . 11 I MD . 50410 1 92 . 1 . 1 11 11 ILE HD13 H 1 0.718 0.009 . 1 . . . . . 11 I MD . 50410 1 93 . 1 . 1 11 11 ILE C C 13 175.256 0.020 . 1 . . . . . 11 I C . 50410 1 94 . 1 . 1 11 11 ILE CA C 13 60.536 0.088 . 1 . . . . . 11 I CA . 50410 1 95 . 1 . 1 11 11 ILE CB C 13 38.857 0.175 . 1 . . . . . 11 I CB . 50410 1 96 . 1 . 1 11 11 ILE CG1 C 13 26.969 0.095 . 1 . . . . . 11 I CG1 . 50410 1 97 . 1 . 1 11 11 ILE CG2 C 13 17.653 0.055 . 1 . . . . . 11 I CG2 . 50410 1 98 . 1 . 1 11 11 ILE CD1 C 13 13.118 0.111 . 1 . . . . . 11 I CD1 . 50410 1 99 . 1 . 1 11 11 ILE N N 15 120.037 0.093 . 1 . . . . . 11 I N . 50410 1 100 . 1 . 1 12 12 GLN H H 1 8.441 0.005 . 1 . . . . . 12 Q H . 50410 1 101 . 1 . 1 12 12 GLN HA H 1 4.346 0.015 . 1 . . . . . 12 Q HA . 50410 1 102 . 1 . 1 12 12 GLN HB2 H 1 1.926 0.014 . 2 . . . . . 12 Q HB2 . 50410 1 103 . 1 . 1 12 12 GLN HB3 H 1 1.926 0.014 . 2 . . . . . 12 Q HB3 . 50410 1 104 . 1 . 1 12 12 GLN HG2 H 1 2.253 0.010 . 2 . . . . . 12 Q HG2 . 50410 1 105 . 1 . 1 12 12 GLN HG3 H 1 2.253 0.010 . 2 . . . . . 12 Q HG3 . 50410 1 106 . 1 . 1 12 12 GLN HE21 H 1 7.444 0.002 . 2 . . . . . 12 Q HE21 . 50410 1 107 . 1 . 1 12 12 GLN HE22 H 1 6.776 0.002 . 2 . . . . . 12 Q HE22 . 50410 1 108 . 1 . 1 12 12 GLN C C 13 175.198 0.111 . 1 . . . . . 12 Q C . 50410 1 109 . 1 . 1 12 12 GLN CA C 13 55.168 0.073 . 1 . . . . . 12 Q CA . 50410 1 110 . 1 . 1 12 12 GLN CB C 13 29.427 0.074 . 1 . . . . . 12 Q CB . 50410 1 111 . 1 . 1 12 12 GLN CG C 13 33.722 0.068 . 1 . . . . . 12 Q CG . 50410 1 112 . 1 . 1 12 12 GLN N N 15 125.067 0.088 . 1 . . . . . 12 Q N . 50410 1 113 . 1 . 1 12 12 GLN NE2 N 15 111.339 0.155 . 1 . . . . . 12 Q NE2 . 50410 1 114 . 1 . 1 13 13 ILE H H 1 8.329 0.005 . 1 . . . . . 13 I H . 50410 1 115 . 1 . 1 13 13 ILE HA H 1 3.950 0.009 . 1 . . . . . 13 I HA . 50410 1 116 . 1 . 1 13 13 ILE HB H 1 1.802 0.007 . 1 . . . . . 13 I HB . 50410 1 117 . 1 . 1 13 13 ILE HG12 H 1 1.412 0.008 . 2 . . . . . 13 I HG12 . 50410 1 118 . 1 . 1 13 13 ILE HG13 H 1 1.112 0.007 . 2 . . . . . 13 I HG13 . 50410 1 119 . 1 . 1 13 13 ILE HG21 H 1 0.755 0.010 . 1 . . . . . 13 I MG . 50410 1 120 . 1 . 1 13 13 ILE HG22 H 1 0.755 0.010 . 1 . . . . . 13 I MG . 50410 1 121 . 1 . 1 13 13 ILE HG23 H 1 0.755 0.010 . 1 . . . . . 13 I MG . 50410 1 122 . 1 . 1 13 13 ILE HD11 H 1 0.713 0.001 . 1 . . . . . 13 I MD . 50410 1 123 . 1 . 1 13 13 ILE HD12 H 1 0.713 0.001 . 1 . . . . . 13 I MD . 50410 1 124 . 1 . 1 13 13 ILE HD13 H 1 0.713 0.001 . 1 . . . . . 13 I MD . 50410 1 125 . 1 . 1 13 13 ILE C C 13 175.423 0.015 . 1 . . . . . 13 I C . 50410 1 126 . 1 . 1 13 13 ILE CA C 13 60.729 0.084 . 1 . . . . . 13 I CA . 50410 1 127 . 1 . 1 13 13 ILE CB C 13 37.862 0.116 . 1 . . . . . 13 I CB . 50410 1 128 . 1 . 1 13 13 ILE CG1 C 13 27.048 0.052 . 1 . . . . . 13 I CG1 . 50410 1 129 . 1 . 1 13 13 ILE CG2 C 13 18.145 0.031 . 1 . . . . . 13 I CG2 . 50410 1 130 . 1 . 1 13 13 ILE CD1 C 13 12.412 0.041 . 1 . . . . . 13 I CD1 . 50410 1 131 . 1 . 1 13 13 ILE N N 15 123.919 0.069 . 1 . . . . . 13 I N . 50410 1 132 . 1 . 1 14 14 LYS H H 1 7.929 0.008 . 1 . . . . . 14 K H . 50410 1 133 . 1 . 1 14 14 LYS HA H 1 4.421 0.010 . 1 . . . . . 14 K HA . 50410 1 134 . 1 . 1 14 14 LYS HB2 H 1 1.799 0.020 . 2 . . . . . 14 K HB2 . 50410 1 135 . 1 . 1 14 14 LYS HB3 H 1 1.672 0.031 . 2 . . . . . 14 K HB3 . 50410 1 136 . 1 . 1 14 14 LYS HG2 H 1 1.407 0.008 . 2 . . . . . 14 K HG2 . 50410 1 137 . 1 . 1 14 14 LYS HG3 H 1 1.407 0.008 . 2 . . . . . 14 K HG3 . 50410 1 138 . 1 . 1 14 14 LYS HD2 H 1 1.644 0.001 . 2 . . . . . 14 K HD2 . 50410 1 139 . 1 . 1 14 14 LYS HD3 H 1 1.644 0.001 . 2 . . . . . 14 K HD3 . 50410 1 140 . 1 . 1 14 14 LYS HE2 H 1 2.959 0.011 . 2 . . . . . 14 K HE2 . 50410 1 141 . 1 . 1 14 14 LYS HE3 H 1 2.959 0.011 . 2 . . . . . 14 K HE3 . 50410 1 142 . 1 . 1 14 14 LYS C C 13 175.689 0.028 . 1 . . . . . 14 K C . 50410 1 143 . 1 . 1 14 14 LYS CA C 13 55.675 0.280 . 1 . . . . . 14 K CA . 50410 1 144 . 1 . 1 14 14 LYS CB C 13 33.628 0.241 . 1 . . . . . 14 K CB . 50410 1 145 . 1 . 1 14 14 LYS CG C 13 24.636 0.057 . 1 . . . . . 14 K CG . 50410 1 146 . 1 . 1 14 14 LYS CD C 13 29.027 0.094 . 1 . . . . . 14 K CD . 50410 1 147 . 1 . 1 14 14 LYS CE C 13 41.997 0.150 . 1 . . . . . 14 K CE . 50410 1 148 . 1 . 1 14 14 LYS N N 15 126.814 0.112 . 1 . . . . . 14 K N . 50410 1 149 . 1 . 1 15 15 SER H H 1 8.086 0.008 . 1 . . . . . 15 S H . 50410 1 150 . 1 . 1 15 15 SER HA H 1 4.222 0.008 . 1 . . . . . 15 S HA . 50410 1 151 . 1 . 1 15 15 SER HB2 H 1 3.770 0.008 . 2 . . . . . 15 S HB2 . 50410 1 152 . 1 . 1 15 15 SER HB3 H 1 3.770 0.008 . 2 . . . . . 15 S HB3 . 50410 1 153 . 1 . 1 15 15 SER C C 13 173.362 0.000 . 1 . . . . . 15 S C . 50410 1 154 . 1 . 1 15 15 SER CA C 13 58.476 0.085 . 1 . . . . . 15 S CA . 50410 1 155 . 1 . 1 15 15 SER CB C 13 63.930 0.085 . 1 . . . . . 15 S CB . 50410 1 156 . 1 . 1 15 15 SER N N 15 116.240 0.126 . 1 . . . . . 15 S N . 50410 1 157 . 1 . 1 16 16 ILE H H 1 8.109 0.029 . 1 . . . . . 16 I H . 50410 1 158 . 1 . 1 16 16 ILE HA H 1 3.898 0.024 . 1 . . . . . 16 I HA . 50410 1 159 . 1 . 1 16 16 ILE HB H 1 1.279 0.009 . 1 . . . . . 16 I HB . 50410 1 160 . 1 . 1 16 16 ILE HG12 H 1 1.424 0.000 . 2 . . . . . 16 I HG12 . 50410 1 161 . 1 . 1 16 16 ILE HG13 H 1 1.424 0.000 . 2 . . . . . 16 I HG13 . 50410 1 162 . 1 . 1 16 16 ILE HG21 H 1 0.467 0.016 . 1 . . . . . 16 I MG . 50410 1 163 . 1 . 1 16 16 ILE HG22 H 1 0.467 0.016 . 1 . . . . . 16 I MG . 50410 1 164 . 1 . 1 16 16 ILE HG23 H 1 0.467 0.016 . 1 . . . . . 16 I MG . 50410 1 165 . 1 . 1 16 16 ILE HD11 H 1 0.162 0.014 . 1 . . . . . 16 I MD . 50410 1 166 . 1 . 1 16 16 ILE HD12 H 1 0.162 0.014 . 1 . . . . . 16 I MD . 50410 1 167 . 1 . 1 16 16 ILE HD13 H 1 0.162 0.014 . 1 . . . . . 16 I MD . 50410 1 168 . 1 . 1 16 16 ILE C C 13 174.439 0.071 . 1 . . . . . 16 I C . 50410 1 169 . 1 . 1 16 16 ILE CA C 13 60.576 0.109 . 1 . . . . . 16 I CA . 50410 1 170 . 1 . 1 16 16 ILE CB C 13 41.079 0.086 . 1 . . . . . 16 I CB . 50410 1 171 . 1 . 1 16 16 ILE CG1 C 13 26.762 0.035 . 1 . . . . . 16 I CG1 . 50410 1 172 . 1 . 1 16 16 ILE CG2 C 13 16.417 0.095 . 1 . . . . . 16 I CG2 . 50410 1 173 . 1 . 1 16 16 ILE CD1 C 13 12.371 0.176 . 1 . . . . . 16 I CD1 . 50410 1 174 . 1 . 1 16 16 ILE N N 15 122.587 0.107 . 1 . . . . . 16 I N . 50410 1 175 . 1 . 1 17 17 ALA H H 1 8.033 0.020 . 1 . . . . . 17 A H . 50410 1 176 . 1 . 1 17 17 ALA HA H 1 4.043 0.009 . 1 . . . . . 17 A HA . 50410 1 177 . 1 . 1 17 17 ALA HB1 H 1 1.433 0.009 . 1 . . . . . 17 A MB . 50410 1 178 . 1 . 1 17 17 ALA HB2 H 1 1.433 0.009 . 1 . . . . . 17 A MB . 50410 1 179 . 1 . 1 17 17 ALA HB3 H 1 1.433 0.009 . 1 . . . . . 17 A MB . 50410 1 180 . 1 . 1 17 17 ALA C C 13 177.158 0.022 . 1 . . . . . 17 A C . 50410 1 181 . 1 . 1 17 17 ALA CA C 13 54.410 0.114 . 1 . . . . . 17 A CA . 50410 1 182 . 1 . 1 17 17 ALA CB C 13 18.057 0.056 . 1 . . . . . 17 A CB . 50410 1 183 . 1 . 1 17 17 ALA N N 15 130.220 0.079 . 1 . . . . . 17 A N . 50410 1 184 . 1 . 1 18 18 GLY H H 1 8.355 0.006 . 1 . . . . . 18 G H . 50410 1 185 . 1 . 1 18 18 GLY HA2 H 1 4.712 0.014 . 2 . . . . . 18 G HA2 . 50410 1 186 . 1 . 1 18 18 GLY HA3 H 1 3.625 0.012 . 2 . . . . . 18 G HA3 . 50410 1 187 . 1 . 1 18 18 GLY C C 13 174.345 0.034 . 1 . . . . . 18 G C . 50410 1 188 . 1 . 1 18 18 GLY CA C 13 45.222 0.052 . 1 . . . . . 18 G CA . 50410 1 189 . 1 . 1 18 18 GLY N N 15 109.436 0.057 . 1 . . . . . 18 G N . 50410 1 190 . 1 . 1 19 19 ILE H H 1 7.983 0.004 . 1 . . . . . 19 I H . 50410 1 191 . 1 . 1 19 19 ILE HA H 1 4.523 0.012 . 1 . . . . . 19 I HA . 50410 1 192 . 1 . 1 19 19 ILE HB H 1 1.921 0.007 . 1 . . . . . 19 I HB . 50410 1 193 . 1 . 1 19 19 ILE HG12 H 1 1.070 0.017 . 2 . . . . . 19 I HG12 . 50410 1 194 . 1 . 1 19 19 ILE HG13 H 1 1.043 0.001 . 2 . . . . . 19 I HG13 . 50410 1 195 . 1 . 1 19 19 ILE HG21 H 1 0.730 0.026 . 1 . . . . . 19 I MG . 50410 1 196 . 1 . 1 19 19 ILE HG22 H 1 0.730 0.026 . 1 . . . . . 19 I MG . 50410 1 197 . 1 . 1 19 19 ILE HG23 H 1 0.730 0.026 . 1 . . . . . 19 I MG . 50410 1 198 . 1 . 1 19 19 ILE HD11 H 1 0.634 0.011 . 1 . . . . . 19 I MD . 50410 1 199 . 1 . 1 19 19 ILE HD12 H 1 0.634 0.011 . 1 . . . . . 19 I MD . 50410 1 200 . 1 . 1 19 19 ILE HD13 H 1 0.634 0.011 . 1 . . . . . 19 I MD . 50410 1 201 . 1 . 1 19 19 ILE C C 13 174.848 0.000 . 1 . . . . . 19 I C . 50410 1 202 . 1 . 1 19 19 ILE CA C 13 57.968 0.048 . 1 . . . . . 19 I CA . 50410 1 203 . 1 . 1 19 19 ILE CB C 13 39.352 0.170 . 1 . . . . . 19 I CB . 50410 1 204 . 1 . 1 19 19 ILE CG1 C 13 26.146 0.070 . 1 . . . . . 19 I CG1 . 50410 1 205 . 1 . 1 19 19 ILE CG2 C 13 18.002 0.032 . 1 . . . . . 19 I CG2 . 50410 1 206 . 1 . 1 19 19 ILE CD1 C 13 12.126 0.094 . 1 . . . . . 19 I CD1 . 50410 1 207 . 1 . 1 19 19 ILE N N 15 117.585 0.085 . 1 . . . . . 19 I N . 50410 1 208 . 1 . 1 20 20 THR HA H 1 4.408 0.009 . 1 . . . . . 20 T HA . 50410 1 209 . 1 . 1 20 20 THR HB H 1 4.383 0.014 . 1 . . . . . 20 T HB . 50410 1 210 . 1 . 1 20 20 THR HG21 H 1 1.088 0.012 . 1 . . . . . 20 T MG . 50410 1 211 . 1 . 1 20 20 THR HG22 H 1 1.088 0.012 . 1 . . . . . 20 T MG . 50410 1 212 . 1 . 1 20 20 THR HG23 H 1 1.088 0.012 . 1 . . . . . 20 T MG . 50410 1 213 . 1 . 1 20 20 THR C C 13 174.480 0.000 . 1 . . . . . 20 T C . 50410 1 214 . 1 . 1 20 20 THR CA C 13 60.431 0.113 . 1 . . . . . 20 T CA . 50410 1 215 . 1 . 1 20 20 THR CB C 13 69.565 0.079 . 1 . . . . . 20 T CB . 50410 1 216 . 1 . 1 20 20 THR CG2 C 13 21.332 0.085 . 1 . . . . . 20 T CG2 . 50410 1 217 . 1 . 1 21 21 GLU H H 1 6.762 0.006 . 1 . . . . . 21 E H . 50410 1 218 . 1 . 1 21 21 GLU HA H 1 4.515 0.013 . 1 . . . . . 21 E HA . 50410 1 219 . 1 . 1 21 21 GLU HB2 H 1 1.886 0.012 . 2 . . . . . 21 E HB2 . 50410 1 220 . 1 . 1 21 21 GLU HB3 H 1 1.760 0.008 . 2 . . . . . 21 E HB3 . 50410 1 221 . 1 . 1 21 21 GLU HG2 H 1 2.162 0.000 . 2 . . . . . 21 E HG2 . 50410 1 222 . 1 . 1 21 21 GLU HG3 H 1 2.162 0.000 . 2 . . . . . 21 E HG3 . 50410 1 223 . 1 . 1 21 21 GLU C C 13 174.721 0.000 . 1 . . . . . 21 E C . 50410 1 224 . 1 . 1 21 21 GLU CA C 13 53.351 0.168 . 1 . . . . . 21 E CA . 50410 1 225 . 1 . 1 21 21 GLU CB C 13 30.585 0.039 . 1 . . . . . 21 E CB . 50410 1 226 . 1 . 1 21 21 GLU CG C 13 35.229 0.000 . 1 . . . . . 21 E CG . 50410 1 227 . 1 . 1 21 21 GLU N N 15 123.177 0.054 . 1 . . . . . 21 E N . 50410 1 228 . 1 . 1 22 22 PRO HA H 1 4.064 0.021 . 1 . . . . . 22 P HA . 50410 1 229 . 1 . 1 22 22 PRO HB2 H 1 2.361 0.010 . 2 . . . . . 22 P HB2 . 50410 1 230 . 1 . 1 22 22 PRO HB3 H 1 2.005 0.010 . 2 . . . . . 22 P HB3 . 50410 1 231 . 1 . 1 22 22 PRO HG2 H 1 2.154 0.004 . 2 . . . . . 22 P HG2 . 50410 1 232 . 1 . 1 22 22 PRO HG3 H 1 1.928 0.000 . 2 . . . . . 22 P HG3 . 50410 1 233 . 1 . 1 22 22 PRO HD2 H 1 4.338 0.013 . 2 . . . . . 22 P HD2 . 50410 1 234 . 1 . 1 22 22 PRO HD3 H 1 3.854 0.011 . 2 . . . . . 22 P HD3 . 50410 1 235 . 1 . 1 22 22 PRO C C 13 178.348 0.016 . 1 . . . . . 22 P C . 50410 1 236 . 1 . 1 22 22 PRO CA C 13 66.142 0.076 . 1 . . . . . 22 P CA . 50410 1 237 . 1 . 1 22 22 PRO CB C 13 32.241 0.174 . 1 . . . . . 22 P CB . 50410 1 238 . 1 . 1 22 22 PRO CG C 13 27.520 0.174 . 1 . . . . . 22 P CG . 50410 1 239 . 1 . 1 22 22 PRO CD C 13 51.938 0.088 . 1 . . . . . 22 P CD . 50410 1 240 . 1 . 1 23 23 THR H H 1 9.498 0.008 . 1 . . . . . 23 T H . 50410 1 241 . 1 . 1 23 23 THR HA H 1 3.785 0.020 . 1 . . . . . 23 T HA . 50410 1 242 . 1 . 1 23 23 THR HB H 1 3.786 0.012 . 1 . . . . . 23 T HB . 50410 1 243 . 1 . 1 23 23 THR HG21 H 1 1.150 0.006 . 1 . . . . . 23 T MG . 50410 1 244 . 1 . 1 23 23 THR HG22 H 1 1.150 0.006 . 1 . . . . . 23 T MG . 50410 1 245 . 1 . 1 23 23 THR HG23 H 1 1.150 0.006 . 1 . . . . . 23 T MG . 50410 1 246 . 1 . 1 23 23 THR C C 13 175.512 0.019 . 1 . . . . . 23 T C . 50410 1 247 . 1 . 1 23 23 THR CA C 13 66.741 0.120 . 1 . . . . . 23 T CA . 50410 1 248 . 1 . 1 23 23 THR CB C 13 68.983 0.103 . 1 . . . . . 23 T CB . 50410 1 249 . 1 . 1 23 23 THR CG2 C 13 22.938 0.167 . 1 . . . . . 23 T CG2 . 50410 1 250 . 1 . 1 23 23 THR N N 15 114.202 0.054 . 1 . . . . . 23 T N . 50410 1 251 . 1 . 1 24 24 ILE H H 1 6.922 0.008 . 1 . . . . . 24 I H . 50410 1 252 . 1 . 1 24 24 ILE HA H 1 3.188 0.011 . 1 . . . . . 24 I HA . 50410 1 253 . 1 . 1 24 24 ILE HB H 1 1.956 0.011 . 1 . . . . . 24 I HB . 50410 1 254 . 1 . 1 24 24 ILE HG12 H 1 1.168 0.005 . 2 . . . . . 24 I HG12 . 50410 1 255 . 1 . 1 24 24 ILE HG13 H 1 0.872 0.009 . 2 . . . . . 24 I HG13 . 50410 1 256 . 1 . 1 24 24 ILE HG21 H 1 0.530 0.013 . 1 . . . . . 24 I MG . 50410 1 257 . 1 . 1 24 24 ILE HG22 H 1 0.530 0.013 . 1 . . . . . 24 I MG . 50410 1 258 . 1 . 1 24 24 ILE HG23 H 1 0.530 0.013 . 1 . . . . . 24 I MG . 50410 1 259 . 1 . 1 24 24 ILE HD11 H 1 -0.520 0.009 . 1 . . . . . 24 I MD . 50410 1 260 . 1 . 1 24 24 ILE HD12 H 1 -0.520 0.009 . 1 . . . . . 24 I MD . 50410 1 261 . 1 . 1 24 24 ILE HD13 H 1 -0.520 0.009 . 1 . . . . . 24 I MD . 50410 1 262 . 1 . 1 24 24 ILE C C 13 177.076 0.029 . 1 . . . . . 24 I C . 50410 1 263 . 1 . 1 24 24 ILE CA C 13 60.307 0.064 . 1 . . . . . 24 I CA . 50410 1 264 . 1 . 1 24 24 ILE CB C 13 34.567 0.102 . 1 . . . . . 24 I CB . 50410 1 265 . 1 . 1 24 24 ILE CG1 C 13 26.706 0.091 . 1 . . . . . 24 I CG1 . 50410 1 266 . 1 . 1 24 24 ILE CG2 C 13 17.716 0.086 . 1 . . . . . 24 I CG2 . 50410 1 267 . 1 . 1 24 24 ILE CD1 C 13 6.558 0.048 . 1 . . . . . 24 I CD1 . 50410 1 268 . 1 . 1 24 24 ILE N N 15 116.721 0.060 . 1 . . . . . 24 I N . 50410 1 269 . 1 . 1 25 25 LEU H H 1 7.313 0.010 . 1 . . . . . 25 L H . 50410 1 270 . 1 . 1 25 25 LEU HA H 1 3.995 0.011 . 1 . . . . . 25 L HA . 50410 1 271 . 1 . 1 25 25 LEU HB2 H 1 1.799 0.005 . 2 . . . . . 25 L HB2 . 50410 1 272 . 1 . 1 25 25 LEU HB3 H 1 1.454 0.012 . 2 . . . . . 25 L HB3 . 50410 1 273 . 1 . 1 25 25 LEU HD11 H 1 0.829 0.007 . 2 . . . . . 25 L MD1 . 50410 1 274 . 1 . 1 25 25 LEU HD12 H 1 0.829 0.007 . 2 . . . . . 25 L MD1 . 50410 1 275 . 1 . 1 25 25 LEU HD13 H 1 0.829 0.007 . 2 . . . . . 25 L MD1 . 50410 1 276 . 1 . 1 25 25 LEU HD21 H 1 0.743 0.010 . 2 . . . . . 25 L MD2 . 50410 1 277 . 1 . 1 25 25 LEU HD22 H 1 0.743 0.010 . 2 . . . . . 25 L MD2 . 50410 1 278 . 1 . 1 25 25 LEU HD23 H 1 0.743 0.010 . 2 . . . . . 25 L MD2 . 50410 1 279 . 1 . 1 25 25 LEU C C 13 180.692 0.027 . 1 . . . . . 25 L C . 50410 1 280 . 1 . 1 25 25 LEU CA C 13 58.445 0.143 . 1 . . . . . 25 L CA . 50410 1 281 . 1 . 1 25 25 LEU CB C 13 40.819 0.076 . 1 . . . . . 25 L CB . 50410 1 282 . 1 . 1 25 25 LEU CG C 13 27.126 0.000 . 1 . . . . . 25 L CG . 50410 1 283 . 1 . 1 25 25 LEU CD1 C 13 22.454 0.068 . 2 . . . . . 25 L CD1 . 50410 1 284 . 1 . 1 25 25 LEU CD2 C 13 24.681 0.086 . 2 . . . . . 25 L CD2 . 50410 1 285 . 1 . 1 25 25 LEU N N 15 118.532 0.039 . 1 . . . . . 25 L N . 50410 1 286 . 1 . 1 26 26 GLN H H 1 8.667 0.007 . 1 . . . . . 26 Q H . 50410 1 287 . 1 . 1 26 26 GLN HA H 1 4.001 0.011 . 1 . . . . . 26 Q HA . 50410 1 288 . 1 . 1 26 26 GLN HB2 H 1 2.150 0.020 . 2 . . . . . 26 Q HB2 . 50410 1 289 . 1 . 1 26 26 GLN HB3 H 1 2.035 0.018 . 2 . . . . . 26 Q HB3 . 50410 1 290 . 1 . 1 26 26 GLN HG2 H 1 2.424 0.004 . 2 . . . . . 26 Q HG2 . 50410 1 291 . 1 . 1 26 26 GLN HG3 H 1 2.301 0.021 . 2 . . . . . 26 Q HG3 . 50410 1 292 . 1 . 1 26 26 GLN HE21 H 1 7.056 0.002 . 2 . . . . . 26 Q HE21 . 50410 1 293 . 1 . 1 26 26 GLN HE22 H 1 6.581 0.001 . 2 . . . . . 26 Q HE22 . 50410 1 294 . 1 . 1 26 26 GLN C C 13 178.313 0.033 . 1 . . . . . 26 Q C . 50410 1 295 . 1 . 1 26 26 GLN CA C 13 58.834 0.277 . 1 . . . . . 26 Q CA . 50410 1 296 . 1 . 1 26 26 GLN CB C 13 28.159 0.203 . 1 . . . . . 26 Q CB . 50410 1 297 . 1 . 1 26 26 GLN CG C 13 34.029 0.139 . 1 . . . . . 26 Q CG . 50410 1 298 . 1 . 1 26 26 GLN N N 15 117.502 0.045 . 1 . . . . . 26 Q N . 50410 1 299 . 1 . 1 26 26 GLN NE2 N 15 108.773 0.017 . 1 . . . . . 26 Q NE2 . 50410 1 300 . 1 . 1 27 27 TYR H H 1 8.094 0.006 . 1 . . . . . 27 Y H . 50410 1 301 . 1 . 1 27 27 TYR HA H 1 3.613 0.008 . 1 . . . . . 27 Y HA . 50410 1 302 . 1 . 1 27 27 TYR HB2 H 1 2.907 0.015 . 2 . . . . . 27 Y HB2 . 50410 1 303 . 1 . 1 27 27 TYR HB3 H 1 2.631 0.009 . 2 . . . . . 27 Y HB3 . 50410 1 304 . 1 . 1 27 27 TYR HD1 H 1 7.290 0.013 . 3 . . . . . 27 Y HD1 . 50410 1 305 . 1 . 1 27 27 TYR HD2 H 1 7.290 0.013 . 3 . . . . . 27 Y HD2 . 50410 1 306 . 1 . 1 27 27 TYR HE1 H 1 6.123 0.000 . 3 . . . . . 27 Y HE1 . 50410 1 307 . 1 . 1 27 27 TYR HE2 H 1 6.123 0.000 . 3 . . . . . 27 Y HE2 . 50410 1 308 . 1 . 1 27 27 TYR C C 13 174.891 0.014 . 1 . . . . . 27 Y C . 50410 1 309 . 1 . 1 27 27 TYR CA C 13 62.642 0.127 . 1 . . . . . 27 Y CA . 50410 1 310 . 1 . 1 27 27 TYR CB C 13 37.109 0.050 . 1 . . . . . 27 Y CB . 50410 1 311 . 1 . 1 27 27 TYR N N 15 125.524 0.056 . 1 . . . . . 27 Y N . 50410 1 312 . 1 . 1 28 28 PHE H H 1 7.111 0.009 . 1 . . . . . 28 F H . 50410 1 313 . 1 . 1 28 28 PHE HA H 1 3.806 0.016 . 1 . . . . . 28 F HA . 50410 1 314 . 1 . 1 28 28 PHE HB2 H 1 2.950 0.015 . 2 . . . . . 28 F HB2 . 50410 1 315 . 1 . 1 28 28 PHE HB3 H 1 2.664 0.008 . 2 . . . . . 28 F HB3 . 50410 1 316 . 1 . 1 28 28 PHE HD1 H 1 7.025 0.019 . 3 . . . . . 28 F HD1 . 50410 1 317 . 1 . 1 28 28 PHE HD2 H 1 7.025 0.019 . 3 . . . . . 28 F HD2 . 50410 1 318 . 1 . 1 28 28 PHE HE1 H 1 7.284 0.017 . 3 . . . . . 28 F HE1 . 50410 1 319 . 1 . 1 28 28 PHE HE2 H 1 7.284 0.017 . 3 . . . . . 28 F HE2 . 50410 1 320 . 1 . 1 28 28 PHE C C 13 177.039 0.017 . 1 . . . . . 28 F C . 50410 1 321 . 1 . 1 28 28 PHE CA C 13 62.976 0.043 . 1 . . . . . 28 F CA . 50410 1 322 . 1 . 1 28 28 PHE CB C 13 39.196 0.139 . 1 . . . . . 28 F CB . 50410 1 323 . 1 . 1 28 28 PHE N N 15 113.474 0.055 . 1 . . . . . 28 F N . 50410 1 324 . 1 . 1 29 29 ALA H H 1 8.076 0.011 . 1 . . . . . 29 A H . 50410 1 325 . 1 . 1 29 29 ALA HA H 1 4.233 0.010 . 1 . . . . . 29 A HA . 50410 1 326 . 1 . 1 29 29 ALA HB1 H 1 1.459 0.008 . 1 . . . . . 29 A MB . 50410 1 327 . 1 . 1 29 29 ALA HB2 H 1 1.459 0.008 . 1 . . . . . 29 A MB . 50410 1 328 . 1 . 1 29 29 ALA HB3 H 1 1.459 0.008 . 1 . . . . . 29 A MB . 50410 1 329 . 1 . 1 29 29 ALA C C 13 181.339 0.009 . 1 . . . . . 29 A C . 50410 1 330 . 1 . 1 29 29 ALA CA C 13 55.498 0.074 . 1 . . . . . 29 A CA . 50410 1 331 . 1 . 1 29 29 ALA CB C 13 19.510 0.132 . 1 . . . . . 29 A CB . 50410 1 332 . 1 . 1 29 29 ALA N N 15 120.702 0.055 . 1 . . . . . 29 A N . 50410 1 333 . 1 . 1 30 30 THR H H 1 8.408 0.006 . 1 . . . . . 30 T H . 50410 1 334 . 1 . 1 30 30 THR HA H 1 3.836 0.015 . 1 . . . . . 30 T HA . 50410 1 335 . 1 . 1 30 30 THR HB H 1 4.184 0.018 . 1 . . . . . 30 T HB . 50410 1 336 . 1 . 1 30 30 THR HG21 H 1 1.234 0.019 . 1 . . . . . 30 T MG . 50410 1 337 . 1 . 1 30 30 THR HG22 H 1 1.234 0.019 . 1 . . . . . 30 T MG . 50410 1 338 . 1 . 1 30 30 THR HG23 H 1 1.234 0.019 . 1 . . . . . 30 T MG . 50410 1 339 . 1 . 1 30 30 THR C C 13 176.760 0.061 . 1 . . . . . 30 T C . 50410 1 340 . 1 . 1 30 30 THR CA C 13 65.052 0.072 . 1 . . . . . 30 T CA . 50410 1 341 . 1 . 1 30 30 THR CB C 13 68.114 0.091 . 1 . . . . . 30 T CB . 50410 1 342 . 1 . 1 30 30 THR CG2 C 13 22.903 0.066 . 1 . . . . . 30 T CG2 . 50410 1 343 . 1 . 1 30 30 THR N N 15 109.016 0.118 . 1 . . . . . 30 T N . 50410 1 344 . 1 . 1 31 31 LEU H H 1 7.495 0.006 . 1 . . . . . 31 L H . 50410 1 345 . 1 . 1 31 31 LEU HA H 1 3.911 0.012 . 1 . . . . . 31 L HA . 50410 1 346 . 1 . 1 31 31 LEU HB2 H 1 1.485 0.013 . 2 . . . . . 31 L HB2 . 50410 1 347 . 1 . 1 31 31 LEU HD11 H 1 0.839 0.035 . 2 . . . . . 31 L MD1 . 50410 1 348 . 1 . 1 31 31 LEU HD12 H 1 0.839 0.035 . 2 . . . . . 31 L MD1 . 50410 1 349 . 1 . 1 31 31 LEU HD13 H 1 0.839 0.035 . 2 . . . . . 31 L MD1 . 50410 1 350 . 1 . 1 31 31 LEU HD21 H 1 0.669 0.042 . 2 . . . . . 31 L MD2 . 50410 1 351 . 1 . 1 31 31 LEU HD22 H 1 0.669 0.042 . 2 . . . . . 31 L MD2 . 50410 1 352 . 1 . 1 31 31 LEU HD23 H 1 0.669 0.042 . 2 . . . . . 31 L MD2 . 50410 1 353 . 1 . 1 31 31 LEU C C 13 180.681 0.015 . 1 . . . . . 31 L C . 50410 1 354 . 1 . 1 31 31 LEU CA C 13 58.620 0.124 . 1 . . . . . 31 L CA . 50410 1 355 . 1 . 1 31 31 LEU CB C 13 42.726 0.089 . 1 . . . . . 31 L CB . 50410 1 356 . 1 . 1 31 31 LEU CD1 C 13 24.913 0.000 . 2 . . . . . 31 L CD1 . 50410 1 357 . 1 . 1 31 31 LEU CD2 C 13 25.408 0.143 . 2 . . . . . 31 L CD2 . 50410 1 358 . 1 . 1 31 31 LEU N N 15 124.907 0.074 . 1 . . . . . 31 L N . 50410 1 359 . 1 . 1 32 32 ASN H H 1 8.186 0.004 . 1 . . . . . 32 N H . 50410 1 360 . 1 . 1 32 32 ASN HA H 1 4.726 0.009 . 1 . . . . . 32 N HA . 50410 1 361 . 1 . 1 32 32 ASN HB2 H 1 2.942 0.012 . 2 . . . . . 32 N HB2 . 50410 1 362 . 1 . 1 32 32 ASN HB3 H 1 2.834 0.012 . 2 . . . . . 32 N HB3 . 50410 1 363 . 1 . 1 32 32 ASN HD21 H 1 7.883 0.001 . 2 . . . . . 32 N HD21 . 50410 1 364 . 1 . 1 32 32 ASN HD22 H 1 7.288 0.002 . 2 . . . . . 32 N HD22 . 50410 1 365 . 1 . 1 32 32 ASN C C 13 176.717 0.035 . 1 . . . . . 32 N C . 50410 1 366 . 1 . 1 32 32 ASN CA C 13 55.447 0.098 . 1 . . . . . 32 N CA . 50410 1 367 . 1 . 1 32 32 ASN CB C 13 38.344 0.114 . 1 . . . . . 32 N CB . 50410 1 368 . 1 . 1 32 32 ASN N N 15 116.850 0.112 . 1 . . . . . 32 N N . 50410 1 369 . 1 . 1 32 32 ASN ND2 N 15 109.129 0.015 . 1 . . . . . 32 N ND2 . 50410 1 370 . 1 . 1 33 33 ALA H H 1 7.367 0.014 . 1 . . . . . 33 A H . 50410 1 371 . 1 . 1 33 33 ALA HA H 1 4.414 0.010 . 1 . . . . . 33 A HA . 50410 1 372 . 1 . 1 33 33 ALA HB1 H 1 1.416 0.006 . 1 . . . . . 33 A MB . 50410 1 373 . 1 . 1 33 33 ALA HB2 H 1 1.416 0.006 . 1 . . . . . 33 A MB . 50410 1 374 . 1 . 1 33 33 ALA HB3 H 1 1.416 0.006 . 1 . . . . . 33 A MB . 50410 1 375 . 1 . 1 33 33 ALA C C 13 177.290 0.021 . 1 . . . . . 33 A C . 50410 1 376 . 1 . 1 33 33 ALA CA C 13 51.884 0.048 . 1 . . . . . 33 A CA . 50410 1 377 . 1 . 1 33 33 ALA CB C 13 19.550 0.114 . 1 . . . . . 33 A CB . 50410 1 378 . 1 . 1 33 33 ALA N N 15 119.520 0.160 . 1 . . . . . 33 A N . 50410 1 379 . 1 . 1 34 34 GLY H H 1 7.625 0.008 . 1 . . . . . 34 G H . 50410 1 380 . 1 . 1 34 34 GLY HA2 H 1 3.671 0.009 . 2 . . . . . 34 G HA2 . 50410 1 381 . 1 . 1 34 34 GLY HA3 H 1 2.806 0.007 . 2 . . . . . 34 G HA3 . 50410 1 382 . 1 . 1 34 34 GLY C C 13 174.553 0.015 . 1 . . . . . 34 G C . 50410 1 383 . 1 . 1 34 34 GLY CA C 13 44.847 0.112 . 1 . . . . . 34 G CA . 50410 1 384 . 1 . 1 34 34 GLY N N 15 107.275 0.061 . 1 . . . . . 34 G N . 50410 1 385 . 1 . 1 35 35 GLU H H 1 7.694 0.005 . 1 . . . . . 35 E H . 50410 1 386 . 1 . 1 35 35 GLU HA H 1 4.373 0.014 . 1 . . . . . 35 E HA . 50410 1 387 . 1 . 1 35 35 GLU HB2 H 1 2.116 0.008 . 2 . . . . . 35 E HB2 . 50410 1 388 . 1 . 1 35 35 GLU HB3 H 1 1.456 0.013 . 2 . . . . . 35 E HB3 . 50410 1 389 . 1 . 1 35 35 GLU HG2 H 1 2.050 0.002 . 2 . . . . . 35 E HG2 . 50410 1 390 . 1 . 1 35 35 GLU HG3 H 1 1.934 0.002 . 2 . . . . . 35 E HG3 . 50410 1 391 . 1 . 1 35 35 GLU C C 13 176.598 0.000 . 1 . . . . . 35 E C . 50410 1 392 . 1 . 1 35 35 GLU CA C 13 53.373 0.088 . 1 . . . . . 35 E CA . 50410 1 393 . 1 . 1 35 35 GLU CB C 13 27.262 0.039 . 1 . . . . . 35 E CB . 50410 1 394 . 1 . 1 35 35 GLU CG C 13 34.823 0.134 . 1 . . . . . 35 E CG . 50410 1 395 . 1 . 1 35 35 GLU N N 15 122.079 0.037 . 1 . . . . . 35 E N . 50410 1 396 . 1 . 1 36 36 PHE H H 1 6.800 0.034 . 1 . . . . . 36 F H . 50410 1 397 . 1 . 1 36 36 PHE HA H 1 4.577 0.026 . 1 . . . . . 36 F HA . 50410 1 398 . 1 . 1 36 36 PHE HB2 H 1 3.238 0.015 . 2 . . . . . 36 F HB2 . 50410 1 399 . 1 . 1 36 36 PHE HB3 H 1 2.919 0.016 . 2 . . . . . 36 F HB3 . 50410 1 400 . 1 . 1 36 36 PHE HD1 H 1 7.061 0.005 . 3 . . . . . 36 F HD1 . 50410 1 401 . 1 . 1 36 36 PHE HD2 H 1 7.061 0.005 . 3 . . . . . 36 F HD2 . 50410 1 402 . 1 . 1 36 36 PHE HE1 H 1 7.433 0.000 . 3 . . . . . 36 F HE1 . 50410 1 403 . 1 . 1 36 36 PHE HE2 H 1 7.433 0.000 . 3 . . . . . 36 F HE2 . 50410 1 404 . 1 . 1 36 36 PHE C C 13 177.879 0.000 . 1 . . . . . 36 F C . 50410 1 405 . 1 . 1 36 36 PHE CA C 13 58.821 0.159 . 1 . . . . . 36 F CA . 50410 1 406 . 1 . 1 36 36 PHE CB C 13 38.435 0.078 . 1 . . . . . 36 F CB . 50410 1 407 . 1 . 1 36 36 PHE N N 15 118.641 0.039 . 1 . . . . . 36 F N . 50410 1 408 . 1 . 1 37 37 ALA H H 1 8.537 0.013 . 1 . . . . . 37 A H . 50410 1 409 . 1 . 1 37 37 ALA HA H 1 4.139 0.020 . 1 . . . . . 37 A HA . 50410 1 410 . 1 . 1 37 37 ALA HB1 H 1 1.417 0.008 . 1 . . . . . 37 A MB . 50410 1 411 . 1 . 1 37 37 ALA HB2 H 1 1.417 0.008 . 1 . . . . . 37 A MB . 50410 1 412 . 1 . 1 37 37 ALA HB3 H 1 1.417 0.008 . 1 . . . . . 37 A MB . 50410 1 413 . 1 . 1 37 37 ALA C C 13 180.301 0.042 . 1 . . . . . 37 A C . 50410 1 414 . 1 . 1 37 37 ALA CA C 13 55.012 0.133 . 1 . . . . . 37 A CA . 50410 1 415 . 1 . 1 37 37 ALA CB C 13 17.423 0.101 . 1 . . . . . 37 A CB . 50410 1 416 . 1 . 1 37 37 ALA N N 15 120.655 0.191 . 1 . . . . . 37 A N . 50410 1 417 . 1 . 1 38 38 ALA H H 1 7.519 0.004 . 1 . . . . . 38 A H . 50410 1 418 . 1 . 1 38 38 ALA HA H 1 4.242 0.012 . 1 . . . . . 38 A HA . 50410 1 419 . 1 . 1 38 38 ALA HB1 H 1 1.529 0.008 . 1 . . . . . 38 A MB . 50410 1 420 . 1 . 1 38 38 ALA HB2 H 1 1.529 0.008 . 1 . . . . . 38 A MB . 50410 1 421 . 1 . 1 38 38 ALA HB3 H 1 1.529 0.008 . 1 . . . . . 38 A MB . 50410 1 422 . 1 . 1 38 38 ALA C C 13 180.360 0.029 . 1 . . . . . 38 A C . 50410 1 423 . 1 . 1 38 38 ALA CA C 13 54.537 0.091 . 1 . . . . . 38 A CA . 50410 1 424 . 1 . 1 38 38 ALA CB C 13 17.726 0.093 . 1 . . . . . 38 A CB . 50410 1 425 . 1 . 1 38 38 ALA N N 15 122.361 0.076 . 1 . . . . . 38 A N . 50410 1 426 . 1 . 1 39 39 THR H H 1 8.303 0.007 . 1 . . . . . 39 T H . 50410 1 427 . 1 . 1 39 39 THR HA H 1 3.802 0.010 . 1 . . . . . 39 T HA . 50410 1 428 . 1 . 1 39 39 THR HB H 1 3.941 0.014 . 1 . . . . . 39 T HB . 50410 1 429 . 1 . 1 39 39 THR HG21 H 1 0.881 0.009 . 1 . . . . . 39 T MG . 50410 1 430 . 1 . 1 39 39 THR HG22 H 1 0.881 0.009 . 1 . . . . . 39 T MG . 50410 1 431 . 1 . 1 39 39 THR HG23 H 1 0.881 0.009 . 1 . . . . . 39 T MG . 50410 1 432 . 1 . 1 39 39 THR C C 13 177.294 0.055 . 1 . . . . . 39 T C . 50410 1 433 . 1 . 1 39 39 THR CA C 13 66.697 0.062 . 1 . . . . . 39 T CA . 50410 1 434 . 1 . 1 39 39 THR CB C 13 68.676 0.089 . 1 . . . . . 39 T CB . 50410 1 435 . 1 . 1 39 39 THR CG2 C 13 24.369 0.050 . 1 . . . . . 39 T CG2 . 50410 1 436 . 1 . 1 39 39 THR N N 15 117.378 0.051 . 1 . . . . . 39 T N . 50410 1 437 . 1 . 1 40 40 ALA H H 1 8.068 0.004 . 1 . . . . . 40 A H . 50410 1 438 . 1 . 1 40 40 ALA HA H 1 4.000 0.014 . 1 . . . . . 40 A HA . 50410 1 439 . 1 . 1 40 40 ALA HB1 H 1 1.583 0.006 . 1 . . . . . 40 A MB . 50410 1 440 . 1 . 1 40 40 ALA HB2 H 1 1.583 0.006 . 1 . . . . . 40 A MB . 50410 1 441 . 1 . 1 40 40 ALA HB3 H 1 1.583 0.006 . 1 . . . . . 40 A MB . 50410 1 442 . 1 . 1 40 40 ALA C C 13 178.364 0.014 . 1 . . . . . 40 A C . 50410 1 443 . 1 . 1 40 40 ALA CA C 13 54.801 0.108 . 1 . . . . . 40 A CA . 50410 1 444 . 1 . 1 40 40 ALA CB C 13 19.498 0.070 . 1 . . . . . 40 A CB . 50410 1 445 . 1 . 1 40 40 ALA N N 15 120.671 0.063 . 1 . . . . . 40 A N . 50410 1 446 . 1 . 1 41 41 ALA H H 1 7.466 0.008 . 1 . . . . . 41 A H . 50410 1 447 . 1 . 1 41 41 ALA HA H 1 4.293 0.014 . 1 . . . . . 41 A HA . 50410 1 448 . 1 . 1 41 41 ALA HB1 H 1 1.550 0.008 . 1 . . . . . 41 A MB . 50410 1 449 . 1 . 1 41 41 ALA HB2 H 1 1.550 0.008 . 1 . . . . . 41 A MB . 50410 1 450 . 1 . 1 41 41 ALA HB3 H 1 1.550 0.008 . 1 . . . . . 41 A MB . 50410 1 451 . 1 . 1 41 41 ALA C C 13 178.235 0.025 . 1 . . . . . 41 A C . 50410 1 452 . 1 . 1 41 41 ALA CA C 13 53.111 0.094 . 1 . . . . . 41 A CA . 50410 1 453 . 1 . 1 41 41 ALA CB C 13 18.029 0.091 . 1 . . . . . 41 A CB . 50410 1 454 . 1 . 1 41 41 ALA N N 15 116.433 0.053 . 1 . . . . . 41 A N . 50410 1 455 . 1 . 1 42 42 LEU H H 1 7.620 0.007 . 1 . . . . . 42 L H . 50410 1 456 . 1 . 1 42 42 LEU HA H 1 4.265 0.009 . 1 . . . . . 42 L HA . 50410 1 457 . 1 . 1 42 42 LEU HB2 H 1 2.082 0.012 . 2 . . . . . 42 L HB2 . 50410 1 458 . 1 . 1 42 42 LEU HB3 H 1 1.424 0.017 . 2 . . . . . 42 L HB3 . 50410 1 459 . 1 . 1 42 42 LEU HG H 1 2.190 0.000 . 1 . . . . . 42 L HG . 50410 1 460 . 1 . 1 42 42 LEU HD11 H 1 1.048 0.007 . 2 . . . . . 42 L MD1 . 50410 1 461 . 1 . 1 42 42 LEU HD12 H 1 1.048 0.007 . 2 . . . . . 42 L MD1 . 50410 1 462 . 1 . 1 42 42 LEU HD13 H 1 1.048 0.007 . 2 . . . . . 42 L MD1 . 50410 1 463 . 1 . 1 42 42 LEU HD21 H 1 0.906 0.005 . 2 . . . . . 42 L MD2 . 50410 1 464 . 1 . 1 42 42 LEU HD22 H 1 0.906 0.005 . 2 . . . . . 42 L MD2 . 50410 1 465 . 1 . 1 42 42 LEU HD23 H 1 0.906 0.005 . 2 . . . . . 42 L MD2 . 50410 1 466 . 1 . 1 42 42 LEU C C 13 177.501 0.022 . 1 . . . . . 42 L C . 50410 1 467 . 1 . 1 42 42 LEU CA C 13 55.526 0.173 . 1 . . . . . 42 L CA . 50410 1 468 . 1 . 1 42 42 LEU CB C 13 42.268 0.038 . 1 . . . . . 42 L CB . 50410 1 469 . 1 . 1 42 42 LEU CG C 13 29.165 0.000 . 1 . . . . . 42 L CG . 50410 1 470 . 1 . 1 42 42 LEU CD1 C 13 26.192 0.079 . 2 . . . . . 42 L CD1 . 50410 1 471 . 1 . 1 42 42 LEU CD2 C 13 21.745 0.191 . 2 . . . . . 42 L CD2 . 50410 1 472 . 1 . 1 42 42 LEU N N 15 116.644 0.059 . 1 . . . . . 42 L N . 50410 1 473 . 1 . 1 43 43 PHE H H 1 8.037 0.012 . 1 . . . . . 43 F H . 50410 1 474 . 1 . 1 43 43 PHE HA H 1 4.827 0.010 . 1 . . . . . 43 F HA . 50410 1 475 . 1 . 1 43 43 PHE HB2 H 1 3.412 0.014 . 2 . . . . . 43 F HB2 . 50410 1 476 . 1 . 1 43 43 PHE HB3 H 1 2.951 0.012 . 2 . . . . . 43 F HB3 . 50410 1 477 . 1 . 1 43 43 PHE HD1 H 1 7.188 0.057 . 3 . . . . . 43 F HD1 . 50410 1 478 . 1 . 1 43 43 PHE HD2 H 1 7.188 0.057 . 3 . . . . . 43 F HD2 . 50410 1 479 . 1 . 1 43 43 PHE HE1 H 1 7.046 0.000 . 3 . . . . . 43 F HE1 . 50410 1 480 . 1 . 1 43 43 PHE HE2 H 1 7.046 0.000 . 3 . . . . . 43 F HE2 . 50410 1 481 . 1 . 1 43 43 PHE C C 13 175.828 0.018 . 1 . . . . . 43 F C . 50410 1 482 . 1 . 1 43 43 PHE CA C 13 57.466 0.100 . 1 . . . . . 43 F CA . 50410 1 483 . 1 . 1 43 43 PHE CB C 13 39.627 0.168 . 1 . . . . . 43 F CB . 50410 1 484 . 1 . 1 43 43 PHE N N 15 117.846 0.202 . 1 . . . . . 43 F N . 50410 1 485 . 1 . 1 44 44 ALA H H 1 7.822 0.009 . 1 . . . . . 44 A H . 50410 1 486 . 1 . 1 44 44 ALA HA H 1 4.220 0.007 . 1 . . . . . 44 A HA . 50410 1 487 . 1 . 1 44 44 ALA HB1 H 1 1.366 0.008 . 1 . . . . . 44 A MB . 50410 1 488 . 1 . 1 44 44 ALA HB2 H 1 1.366 0.008 . 1 . . . . . 44 A MB . 50410 1 489 . 1 . 1 44 44 ALA HB3 H 1 1.366 0.008 . 1 . . . . . 44 A MB . 50410 1 490 . 1 . 1 44 44 ALA C C 13 178.729 0.019 . 1 . . . . . 44 A C . 50410 1 491 . 1 . 1 44 44 ALA CA C 13 51.357 0.053 . 1 . . . . . 44 A CA . 50410 1 492 . 1 . 1 44 44 ALA CB C 13 20.230 0.130 . 1 . . . . . 44 A CB . 50410 1 493 . 1 . 1 44 44 ALA N N 15 120.132 0.065 . 1 . . . . . 44 A N . 50410 1 494 . 1 . 1 45 45 VAL H H 1 8.540 0.005 . 1 . . . . . 45 V H . 50410 1 495 . 1 . 1 45 45 VAL HA H 1 3.748 0.011 . 1 . . . . . 45 V HA . 50410 1 496 . 1 . 1 45 45 VAL HB H 1 2.148 0.012 . 1 . . . . . 45 V HB . 50410 1 497 . 1 . 1 45 45 VAL HG11 H 1 1.048 0.004 . 2 . . . . . 45 V MG1 . 50410 1 498 . 1 . 1 45 45 VAL HG12 H 1 1.048 0.004 . 2 . . . . . 45 V MG1 . 50410 1 499 . 1 . 1 45 45 VAL HG13 H 1 1.048 0.004 . 2 . . . . . 45 V MG1 . 50410 1 500 . 1 . 1 45 45 VAL HG21 H 1 1.022 0.009 . 2 . . . . . 45 V MG2 . 50410 1 501 . 1 . 1 45 45 VAL HG22 H 1 1.022 0.009 . 2 . . . . . 45 V MG2 . 50410 1 502 . 1 . 1 45 45 VAL HG23 H 1 1.022 0.009 . 2 . . . . . 45 V MG2 . 50410 1 503 . 1 . 1 45 45 VAL C C 13 175.020 0.020 . 1 . . . . . 45 V C . 50410 1 504 . 1 . 1 45 45 VAL CA C 13 65.435 0.102 . 1 . . . . . 45 V CA . 50410 1 505 . 1 . 1 45 45 VAL CB C 13 31.659 0.126 . 1 . . . . . 45 V CB . 50410 1 506 . 1 . 1 45 45 VAL CG1 C 13 20.983 0.130 . 2 . . . . . 45 V CG1 . 50410 1 507 . 1 . 1 45 45 VAL CG2 C 13 20.678 0.077 . 2 . . . . . 45 V CG2 . 50410 1 508 . 1 . 1 45 45 VAL N N 15 119.173 0.049 . 1 . . . . . 45 V N . 50410 1 509 . 1 . 1 46 46 ASP H H 1 8.132 0.008 . 1 . . . . . 46 D H . 50410 1 510 . 1 . 1 46 46 ASP HA H 1 4.589 0.011 . 1 . . . . . 46 D HA . 50410 1 511 . 1 . 1 46 46 ASP HB2 H 1 2.924 0.006 . 2 . . . . . 46 D HB2 . 50410 1 512 . 1 . 1 46 46 ASP HB3 H 1 2.493 0.027 . 2 . . . . . 46 D HB3 . 50410 1 513 . 1 . 1 46 46 ASP C C 13 176.267 0.000 . 1 . . . . . 46 D C . 50410 1 514 . 1 . 1 46 46 ASP CA C 13 51.539 0.041 . 1 . . . . . 46 D CA . 50410 1 515 . 1 . 1 46 46 ASP CB C 13 39.577 0.078 . 1 . . . . . 46 D CB . 50410 1 516 . 1 . 1 46 46 ASP N N 15 116.415 0.109 . 1 . . . . . 46 D N . 50410 1 517 . 1 . 1 47 47 GLY H H 1 8.166 0.014 . 1 . . . . . 47 G H . 50410 1 518 . 1 . 1 47 47 GLY HA2 H 1 4.596 0.025 . 1 . . . . . 47 G HA2 . 50410 1 519 . 1 . 1 47 47 GLY HA3 H 1 3.766 0.009 . 1 . . . . . 47 G HA3 . 50410 1 520 . 1 . 1 47 47 GLY C C 13 170.930 0.014 . 1 . . . . . 47 G C . 50410 1 521 . 1 . 1 47 47 GLY CA C 13 45.361 0.121 . 1 . . . . . 47 G CA . 50410 1 522 . 1 . 1 47 47 GLY N N 15 108.264 0.053 . 1 . . . . . 47 G N . 50410 1 523 . 1 . 1 48 48 VAL H H 1 7.583 0.011 . 1 . . . . . 48 V H . 50410 1 524 . 1 . 1 48 48 VAL HA H 1 4.947 0.010 . 1 . . . . . 48 V HA . 50410 1 525 . 1 . 1 48 48 VAL HB H 1 1.873 0.010 . 1 . . . . . 48 V HB . 50410 1 526 . 1 . 1 48 48 VAL HG11 H 1 0.702 0.007 . 2 . . . . . 48 V MG1 . 50410 1 527 . 1 . 1 48 48 VAL HG12 H 1 0.702 0.007 . 2 . . . . . 48 V MG1 . 50410 1 528 . 1 . 1 48 48 VAL HG13 H 1 0.702 0.007 . 2 . . . . . 48 V MG1 . 50410 1 529 . 1 . 1 48 48 VAL HG21 H 1 0.637 0.011 . 2 . . . . . 48 V MG2 . 50410 1 530 . 1 . 1 48 48 VAL HG22 H 1 0.637 0.011 . 2 . . . . . 48 V MG2 . 50410 1 531 . 1 . 1 48 48 VAL HG23 H 1 0.637 0.011 . 2 . . . . . 48 V MG2 . 50410 1 532 . 1 . 1 48 48 VAL C C 13 173.253 0.012 . 1 . . . . . 48 V C . 50410 1 533 . 1 . 1 48 48 VAL CA C 13 59.814 0.082 . 1 . . . . . 48 V CA . 50410 1 534 . 1 . 1 48 48 VAL CB C 13 35.633 0.083 . 1 . . . . . 48 V CB . 50410 1 535 . 1 . 1 48 48 VAL CG1 C 13 21.820 0.331 . 2 . . . . . 48 V CG1 . 50410 1 536 . 1 . 1 48 48 VAL CG2 C 13 21.385 0.230 . 2 . . . . . 48 V CG2 . 50410 1 537 . 1 . 1 48 48 VAL N N 15 119.294 0.052 . 1 . . . . . 48 V N . 50410 1 538 . 1 . 1 49 49 MET H H 1 8.502 0.007 . 1 . . . . . 49 M H . 50410 1 539 . 1 . 1 49 49 MET HA H 1 4.886 0.022 . 1 . . . . . 49 M HA . 50410 1 540 . 1 . 1 49 49 MET HB2 H 1 1.603 0.015 . 2 . . . . . 49 M HB2 . 50410 1 541 . 1 . 1 49 49 MET HB3 H 1 1.793 0.016 . 2 . . . . . 49 M HB3 . 50410 1 542 . 1 . 1 49 49 MET HG2 H 1 2.037 0.011 . 2 . . . . . 49 M HG2 . 50410 1 543 . 1 . 1 49 49 MET HG3 H 1 2.037 0.011 . 2 . . . . . 49 M HG3 . 50410 1 544 . 1 . 1 49 49 MET HE1 H 1 1.860 0.002 . 1 . . . . . 49 M ME . 50410 1 545 . 1 . 1 49 49 MET HE2 H 1 1.860 0.002 . 1 . . . . . 49 M ME . 50410 1 546 . 1 . 1 49 49 MET HE3 H 1 1.860 0.002 . 1 . . . . . 49 M ME . 50410 1 547 . 1 . 1 49 49 MET C C 13 173.892 0.012 . 1 . . . . . 49 M C . 50410 1 548 . 1 . 1 49 49 MET CA C 13 53.009 0.160 . 1 . . . . . 49 M CA . 50410 1 549 . 1 . 1 49 49 MET CB C 13 36.404 0.238 . 1 . . . . . 49 M CB . 50410 1 550 . 1 . 1 49 49 MET CG C 13 31.098 0.121 . 1 . . . . . 49 M CG . 50410 1 551 . 1 . 1 49 49 MET CE C 13 18.037 0.018 . 1 . . . . . 49 M CE . 50410 1 552 . 1 . 1 49 49 MET N N 15 125.390 0.051 . 1 . . . . . 49 M N . 50410 1 553 . 1 . 1 50 50 TYR H H 1 8.801 0.038 . 1 . . . . . 50 Y H . 50410 1 554 . 1 . 1 50 50 TYR HA H 1 4.693 0.005 . 1 . . . . . 50 Y HA . 50410 1 555 . 1 . 1 50 50 TYR HB2 H 1 2.877 0.000 . 2 . . . . . 50 Y HB2 . 50410 1 556 . 1 . 1 50 50 TYR HD1 H 1 6.922 0.005 . 3 . . . . . 50 Y HD1 . 50410 1 557 . 1 . 1 50 50 TYR HD2 H 1 6.922 0.005 . 3 . . . . . 50 Y HD2 . 50410 1 558 . 1 . 1 50 50 TYR HE1 H 1 6.732 0.002 . 3 . . . . . 50 Y HE1 . 50410 1 559 . 1 . 1 50 50 TYR HE2 H 1 6.732 0.002 . 3 . . . . . 50 Y HE2 . 50410 1 560 . 1 . 1 50 50 TYR CA C 13 53.149 0.131 . 1 . . . . . 50 Y CA . 50410 1 561 . 1 . 1 50 50 TYR CB C 13 38.376 0.049 . 1 . . . . . 50 Y CB . 50410 1 562 . 1 . 1 50 50 TYR N N 15 126.531 0.098 . 1 . . . . . 50 Y N . 50410 1 563 . 1 . 1 53 53 PHE H H 1 8.252 0.000 . 1 . . . . . 53 F H . 50410 1 564 . 1 . 1 53 53 PHE HD1 H 1 7.158 0.000 . 3 . . . . . 53 F HD1 . 50410 1 565 . 1 . 1 53 53 PHE HD2 H 1 7.158 0.000 . 3 . . . . . 53 F HD2 . 50410 1 566 . 1 . 1 53 53 PHE HE1 H 1 7.076 0.009 . 3 . . . . . 53 F HE1 . 50410 1 567 . 1 . 1 53 53 PHE HE2 H 1 7.076 0.009 . 3 . . . . . 53 F HE2 . 50410 1 568 . 1 . 1 53 53 PHE HZ H 1 7.374 0.000 . 1 . . . . . 53 F HZ . 50410 1 569 . 1 . 1 53 53 PHE C C 13 174.993 0.000 . 1 . . . . . 53 F C . 50410 1 570 . 1 . 1 53 53 PHE CA C 13 57.971 0.000 . 1 . . . . . 53 F CA . 50410 1 571 . 1 . 1 54 54 GLU H H 1 7.264 0.006 . 1 . . . . . 54 E H . 50410 1 572 . 1 . 1 54 54 GLU HA H 1 4.815 0.015 . 1 . . . . . 54 E HA . 50410 1 573 . 1 . 1 54 54 GLU HB2 H 1 2.396 0.023 . 2 . . . . . 54 E HB2 . 50410 1 574 . 1 . 1 54 54 GLU HB3 H 1 1.580 0.002 . 2 . . . . . 54 E HB3 . 50410 1 575 . 1 . 1 54 54 GLU HG2 H 1 2.208 0.014 . 2 . . . . . 54 E HG2 . 50410 1 576 . 1 . 1 54 54 GLU HG3 H 1 2.327 0.014 . 2 . . . . . 54 E HG3 . 50410 1 577 . 1 . 1 54 54 GLU C C 13 175.548 0.010 . 1 . . . . . 54 E C . 50410 1 578 . 1 . 1 54 54 GLU CA C 13 54.911 0.090 . 1 . . . . . 54 E CA . 50410 1 579 . 1 . 1 54 54 GLU CB C 13 33.793 0.080 . 1 . . . . . 54 E CB . 50410 1 580 . 1 . 1 54 54 GLU CG C 13 36.206 0.098 . 1 . . . . . 54 E CG . 50410 1 581 . 1 . 1 54 54 GLU N N 15 118.082 0.043 . 1 . . . . . 54 E N . 50410 1 582 . 1 . 1 55 55 SER H H 1 8.268 0.011 . 1 . . . . . 55 S H . 50410 1 583 . 1 . 1 55 55 SER HA H 1 4.480 0.011 . 1 . . . . . 55 S HA . 50410 1 584 . 1 . 1 55 55 SER HB2 H 1 3.958 0.008 . 2 . . . . . 55 S HB2 . 50410 1 585 . 1 . 1 55 55 SER HB3 H 1 3.876 0.016 . 2 . . . . . 55 S HB3 . 50410 1 586 . 1 . 1 55 55 SER C C 13 172.904 0.000 . 1 . . . . . 55 S C . 50410 1 587 . 1 . 1 55 55 SER CA C 13 58.380 0.104 . 1 . . . . . 55 S CA . 50410 1 588 . 1 . 1 55 55 SER CB C 13 63.855 0.078 . 1 . . . . . 55 S CB . 50410 1 589 . 1 . 1 55 55 SER N N 15 115.023 0.067 . 1 . . . . . 55 S N . 50410 1 590 . 1 . 1 56 56 GLY H H 1 7.985 0.007 . 1 . . . . . 56 G H . 50410 1 591 . 1 . 1 56 56 GLY HA2 H 1 3.313 0.013 . 1 . . . . . 56 G HA2 . 50410 1 592 . 1 . 1 56 56 GLY HA3 H 1 2.638 0.004 . 1 . . . . . 56 G HA3 . 50410 1 593 . 1 . 1 56 56 GLY C C 13 173.038 0.000 . 1 . . . . . 56 G C . 50410 1 594 . 1 . 1 56 56 GLY CA C 13 46.236 0.166 . 1 . . . . . 56 G CA . 50410 1 595 . 1 . 1 56 56 GLY N N 15 104.406 0.095 . 1 . . . . . 56 G N . 50410 1 596 . 1 . 1 57 57 ILE H H 1 8.502 0.021 . 1 . . . . . 57 I H . 50410 1 597 . 1 . 1 57 57 ILE HA H 1 4.011 0.012 . 1 . . . . . 57 I HA . 50410 1 598 . 1 . 1 57 57 ILE HB H 1 1.458 0.009 . 1 . . . . . 57 I HB . 50410 1 599 . 1 . 1 57 57 ILE HG12 H 1 0.981 0.015 . 2 . . . . . 57 I HG12 . 50410 1 600 . 1 . 1 57 57 ILE HG13 H 1 0.834 0.006 . 2 . . . . . 57 I HG13 . 50410 1 601 . 1 . 1 57 57 ILE HG21 H 1 0.582 0.015 . 1 . . . . . 57 I MG . 50410 1 602 . 1 . 1 57 57 ILE HG22 H 1 0.582 0.015 . 1 . . . . . 57 I MG . 50410 1 603 . 1 . 1 57 57 ILE HG23 H 1 0.582 0.015 . 1 . . . . . 57 I MG . 50410 1 604 . 1 . 1 57 57 ILE HD11 H 1 0.183 0.001 . 1 . . . . . 57 I MD . 50410 1 605 . 1 . 1 57 57 ILE HD12 H 1 0.183 0.001 . 1 . . . . . 57 I MD . 50410 1 606 . 1 . 1 57 57 ILE HD13 H 1 0.183 0.001 . 1 . . . . . 57 I MD . 50410 1 607 . 1 . 1 57 57 ILE C C 13 174.542 0.018 . 1 . . . . . 57 I C . 50410 1 608 . 1 . 1 57 57 ILE CA C 13 60.076 0.177 . 1 . . . . . 57 I CA . 50410 1 609 . 1 . 1 57 57 ILE CB C 13 38.782 0.082 . 1 . . . . . 57 I CB . 50410 1 610 . 1 . 1 57 57 ILE CG1 C 13 26.331 0.116 . 1 . . . . . 57 I CG1 . 50410 1 611 . 1 . 1 57 57 ILE CG2 C 13 18.922 0.075 . 1 . . . . . 57 I CG2 . 50410 1 612 . 1 . 1 57 57 ILE CD1 C 13 12.982 0.070 . 1 . . . . . 57 I CD1 . 50410 1 613 . 1 . 1 57 57 ILE N N 15 126.474 0.042 . 1 . . . . . 57 I N . 50410 1 614 . 1 . 1 58 58 VAL H H 1 8.157 0.006 . 1 . . . . . 58 V H . 50410 1 615 . 1 . 1 58 58 VAL HA H 1 4.395 0.010 . 1 . . . . . 58 V HA . 50410 1 616 . 1 . 1 58 58 VAL HB H 1 1.835 0.008 . 1 . . . . . 58 V HB . 50410 1 617 . 1 . 1 58 58 VAL HG11 H 1 0.784 0.018 . 2 . . . . . 58 V MG1 . 50410 1 618 . 1 . 1 58 58 VAL HG12 H 1 0.784 0.018 . 2 . . . . . 58 V MG1 . 50410 1 619 . 1 . 1 58 58 VAL HG13 H 1 0.784 0.018 . 2 . . . . . 58 V MG1 . 50410 1 620 . 1 . 1 58 58 VAL HG21 H 1 0.751 0.010 . 2 . . . . . 58 V MG2 . 50410 1 621 . 1 . 1 58 58 VAL HG22 H 1 0.751 0.010 . 2 . . . . . 58 V MG2 . 50410 1 622 . 1 . 1 58 58 VAL HG23 H 1 0.751 0.010 . 2 . . . . . 58 V MG2 . 50410 1 623 . 1 . 1 58 58 VAL C C 13 177.022 0.025 . 1 . . . . . 58 V C . 50410 1 624 . 1 . 1 58 58 VAL CA C 13 62.236 0.069 . 1 . . . . . 58 V CA . 50410 1 625 . 1 . 1 58 58 VAL CB C 13 33.070 0.116 . 1 . . . . . 58 V CB . 50410 1 626 . 1 . 1 58 58 VAL CG1 C 13 20.733 0.187 . 2 . . . . . 58 V CG1 . 50410 1 627 . 1 . 1 58 58 VAL CG2 C 13 20.866 0.238 . 2 . . . . . 58 V CG2 . 50410 1 628 . 1 . 1 58 58 VAL N N 15 125.534 0.074 . 1 . . . . . 58 V N . 50410 1 629 . 1 . 1 59 59 GLY H H 1 8.880 0.006 . 1 . . . . . 59 G H . 50410 1 630 . 1 . 1 59 59 GLY HA2 H 1 4.280 0.030 . 2 . . . . . 59 G HA2 . 50410 1 631 . 1 . 1 59 59 GLY HA3 H 1 4.066 0.003 . 2 . . . . . 59 G HA3 . 50410 1 632 . 1 . 1 59 59 GLY CA C 13 43.959 0.043 . 1 . . . . . 59 G CA . 50410 1 633 . 1 . 1 59 59 GLY N N 15 115.713 0.094 . 1 . . . . . 59 G N . 50410 1 634 . 1 . 1 60 60 PRO HA H 1 3.902 0.011 . 1 . . . . . 60 P HA . 50410 1 635 . 1 . 1 60 60 PRO HB2 H 1 2.268 0.010 . 2 . . . . . 60 P HB2 . 50410 1 636 . 1 . 1 60 60 PRO HB3 H 1 1.881 0.011 . 2 . . . . . 60 P HB3 . 50410 1 637 . 1 . 1 60 60 PRO HG2 H 1 2.061 0.007 . 2 . . . . . 60 P HG2 . 50410 1 638 . 1 . 1 60 60 PRO HG3 H 1 2.061 0.007 . 2 . . . . . 60 P HG3 . 50410 1 639 . 1 . 1 60 60 PRO HD2 H 1 3.935 0.011 . 2 . . . . . 60 P HD2 . 50410 1 640 . 1 . 1 60 60 PRO HD3 H 1 3.776 0.008 . 2 . . . . . 60 P HD3 . 50410 1 641 . 1 . 1 60 60 PRO C C 13 177.917 0.008 . 1 . . . . . 60 P C . 50410 1 642 . 1 . 1 60 60 PRO CA C 13 66.237 0.061 . 1 . . . . . 60 P CA . 50410 1 643 . 1 . 1 60 60 PRO CB C 13 32.660 0.096 . 1 . . . . . 60 P CB . 50410 1 644 . 1 . 1 60 60 PRO CG C 13 27.611 0.094 . 1 . . . . . 60 P CG . 50410 1 645 . 1 . 1 60 60 PRO CD C 13 51.018 0.102 . 1 . . . . . 60 P CD . 50410 1 646 . 1 . 1 61 61 ASP H H 1 8.245 0.007 . 1 . . . . . 61 D H . 50410 1 647 . 1 . 1 61 61 ASP HA H 1 4.267 0.008 . 1 . . . . . 61 D HA . 50410 1 648 . 1 . 1 61 61 ASP HB2 H 1 2.603 0.003 . 2 . . . . . 61 D HB2 . 50410 1 649 . 1 . 1 61 61 ASP HB3 H 1 2.536 0.013 . 2 . . . . . 61 D HB3 . 50410 1 650 . 1 . 1 61 61 ASP C C 13 178.813 0.028 . 1 . . . . . 61 D C . 50410 1 651 . 1 . 1 61 61 ASP CA C 13 57.996 0.057 . 1 . . . . . 61 D CA . 50410 1 652 . 1 . 1 61 61 ASP CB C 13 40.151 0.083 . 1 . . . . . 61 D CB . 50410 1 653 . 1 . 1 61 61 ASP N N 15 116.523 0.055 . 1 . . . . . 61 D N . 50410 1 654 . 1 . 1 62 62 ALA H H 1 8.377 0.007 . 1 . . . . . 62 A H . 50410 1 655 . 1 . 1 62 62 ALA HA H 1 4.096 0.010 . 1 . . . . . 62 A HA . 50410 1 656 . 1 . 1 62 62 ALA HB1 H 1 1.328 0.013 . 1 . . . . . 62 A MB . 50410 1 657 . 1 . 1 62 62 ALA HB2 H 1 1.328 0.013 . 1 . . . . . 62 A MB . 50410 1 658 . 1 . 1 62 62 ALA HB3 H 1 1.328 0.013 . 1 . . . . . 62 A MB . 50410 1 659 . 1 . 1 62 62 ALA C C 13 180.907 0.019 . 1 . . . . . 62 A C . 50410 1 660 . 1 . 1 62 62 ALA CA C 13 54.545 0.063 . 1 . . . . . 62 A CA . 50410 1 661 . 1 . 1 62 62 ALA CB C 13 18.461 0.199 . 1 . . . . . 62 A CB . 50410 1 662 . 1 . 1 62 62 ALA N N 15 123.761 0.082 . 1 . . . . . 62 A N . 50410 1 663 . 1 . 1 63 63 ILE H H 1 8.281 0.043 . 1 . . . . . 63 I H . 50410 1 664 . 1 . 1 63 63 ILE HA H 1 3.326 0.008 . 1 . . . . . 63 I HA . 50410 1 665 . 1 . 1 63 63 ILE HB H 1 1.375 0.010 . 1 . . . . . 63 I HB . 50410 1 666 . 1 . 1 63 63 ILE HG12 H 1 0.139 0.004 . 2 . . . . . 63 I HG12 . 50410 1 667 . 1 . 1 63 63 ILE HG13 H 1 1.436 0.001 . 2 . . . . . 63 I HG13 . 50410 1 668 . 1 . 1 63 63 ILE HG21 H 1 0.395 0.006 . 1 . . . . . 63 I MG . 50410 1 669 . 1 . 1 63 63 ILE HG22 H 1 0.395 0.006 . 1 . . . . . 63 I MG . 50410 1 670 . 1 . 1 63 63 ILE HG23 H 1 0.395 0.006 . 1 . . . . . 63 I MG . 50410 1 671 . 1 . 1 63 63 ILE HD11 H 1 -0.488 0.007 . 1 . . . . . 63 I MD . 50410 1 672 . 1 . 1 63 63 ILE HD12 H 1 -0.488 0.007 . 1 . . . . . 63 I MD . 50410 1 673 . 1 . 1 63 63 ILE HD13 H 1 -0.488 0.007 . 1 . . . . . 63 I MD . 50410 1 674 . 1 . 1 63 63 ILE C C 13 177.152 0.022 . 1 . . . . . 63 I C . 50410 1 675 . 1 . 1 63 63 ILE CA C 13 66.427 0.084 . 1 . . . . . 63 I CA . 50410 1 676 . 1 . 1 63 63 ILE CB C 13 38.455 0.108 . 1 . . . . . 63 I CB . 50410 1 677 . 1 . 1 63 63 ILE CG1 C 13 30.428 0.101 . 1 . . . . . 63 I CG1 . 50410 1 678 . 1 . 1 63 63 ILE CG2 C 13 15.833 0.049 . 1 . . . . . 63 I CG2 . 50410 1 679 . 1 . 1 63 63 ILE CD1 C 13 12.659 0.090 . 1 . . . . . 63 I CD1 . 50410 1 680 . 1 . 1 63 63 ILE N N 15 122.027 0.131 . 1 . . . . . 63 I N . 50410 1 681 . 1 . 1 64 64 ALA H H 1 8.523 0.013 . 1 . . . . . 64 A H . 50410 1 682 . 1 . 1 64 64 ALA HA H 1 3.723 0.013 . 1 . . . . . 64 A HA . 50410 1 683 . 1 . 1 64 64 ALA HB1 H 1 1.389 0.008 . 1 . . . . . 64 A MB . 50410 1 684 . 1 . 1 64 64 ALA HB2 H 1 1.389 0.008 . 1 . . . . . 64 A MB . 50410 1 685 . 1 . 1 64 64 ALA HB3 H 1 1.389 0.008 . 1 . . . . . 64 A MB . 50410 1 686 . 1 . 1 64 64 ALA C C 13 179.486 0.021 . 1 . . . . . 64 A C . 50410 1 687 . 1 . 1 64 64 ALA CA C 13 55.828 0.054 . 1 . . . . . 64 A CA . 50410 1 688 . 1 . 1 64 64 ALA CB C 13 17.639 0.146 . 1 . . . . . 64 A CB . 50410 1 689 . 1 . 1 64 64 ALA N N 15 121.660 0.146 . 1 . . . . . 64 A N . 50410 1 690 . 1 . 1 65 65 ALA H H 1 7.364 0.014 . 1 . . . . . 65 A H . 50410 1 691 . 1 . 1 65 65 ALA HA H 1 4.044 0.009 . 1 . . . . . 65 A HA . 50410 1 692 . 1 . 1 65 65 ALA HB1 H 1 1.438 0.009 . 1 . . . . . 65 A MB . 50410 1 693 . 1 . 1 65 65 ALA HB2 H 1 1.438 0.009 . 1 . . . . . 65 A MB . 50410 1 694 . 1 . 1 65 65 ALA HB3 H 1 1.438 0.009 . 1 . . . . . 65 A MB . 50410 1 695 . 1 . 1 65 65 ALA C C 13 179.954 0.016 . 1 . . . . . 65 A C . 50410 1 696 . 1 . 1 65 65 ALA CA C 13 54.939 0.082 . 1 . . . . . 65 A CA . 50410 1 697 . 1 . 1 65 65 ALA CB C 13 18.042 0.060 . 1 . . . . . 65 A CB . 50410 1 698 . 1 . 1 65 65 ALA N N 15 118.227 0.095 . 1 . . . . . 65 A N . 50410 1 699 . 1 . 1 66 66 TYR H H 1 7.979 0.014 . 1 . . . . . 66 Y H . 50410 1 700 . 1 . 1 66 66 TYR HA H 1 4.029 0.013 . 1 . . . . . 66 Y HA . 50410 1 701 . 1 . 1 66 66 TYR HB2 H 1 3.068 0.006 . 2 . . . . . 66 Y HB2 . 50410 1 702 . 1 . 1 66 66 TYR HB3 H 1 2.924 0.016 . 2 . . . . . 66 Y HB3 . 50410 1 703 . 1 . 1 66 66 TYR HD1 H 1 6.812 0.009 . 3 . . . . . 66 Y HD1 . 50410 1 704 . 1 . 1 66 66 TYR HD2 H 1 6.812 0.009 . 3 . . . . . 66 Y HD2 . 50410 1 705 . 1 . 1 66 66 TYR C C 13 177.296 0.027 . 1 . . . . . 66 Y C . 50410 1 706 . 1 . 1 66 66 TYR CA C 13 61.571 0.088 . 1 . . . . . 66 Y CA . 50410 1 707 . 1 . 1 66 66 TYR CB C 13 38.804 0.028 . 1 . . . . . 66 Y CB . 50410 1 708 . 1 . 1 66 66 TYR N N 15 119.844 0.067 . 1 . . . . . 66 Y N . 50410 1 709 . 1 . 1 67 67 LEU H H 1 8.445 0.007 . 1 . . . . . 67 L H . 50410 1 710 . 1 . 1 67 67 LEU HA H 1 3.335 0.006 . 1 . . . . . 67 L HA . 50410 1 711 . 1 . 1 67 67 LEU HB2 H 1 1.620 0.009 . 2 . . . . . 67 L HB2 . 50410 1 712 . 1 . 1 67 67 LEU HB3 H 1 1.620 0.009 . 2 . . . . . 67 L HB3 . 50410 1 713 . 1 . 1 67 67 LEU HG H 1 1.910 0.001 . 1 . . . . . 67 L HG . 50410 1 714 . 1 . 1 67 67 LEU HD11 H 1 0.350 0.017 . 2 . . . . . 67 L MD1 . 50410 1 715 . 1 . 1 67 67 LEU HD12 H 1 0.350 0.017 . 2 . . . . . 67 L MD1 . 50410 1 716 . 1 . 1 67 67 LEU HD13 H 1 0.350 0.017 . 2 . . . . . 67 L MD1 . 50410 1 717 . 1 . 1 67 67 LEU HD21 H 1 0.350 0.017 . 2 . . . . . 67 L MD2 . 50410 1 718 . 1 . 1 67 67 LEU HD22 H 1 0.350 0.017 . 2 . . . . . 67 L MD2 . 50410 1 719 . 1 . 1 67 67 LEU HD23 H 1 0.350 0.017 . 2 . . . . . 67 L MD2 . 50410 1 720 . 1 . 1 67 67 LEU C C 13 178.048 0.027 . 1 . . . . . 67 L C . 50410 1 721 . 1 . 1 67 67 LEU CA C 13 57.312 0.072 . 1 . . . . . 67 L CA . 50410 1 722 . 1 . 1 67 67 LEU CB C 13 40.609 0.087 . 1 . . . . . 67 L CB . 50410 1 723 . 1 . 1 67 67 LEU CD1 C 13 26.154 0.000 . 2 . . . . . 67 L CD1 . 50410 1 724 . 1 . 1 67 67 LEU CD2 C 13 26.154 0.000 . 2 . . . . . 67 L CD2 . 50410 1 725 . 1 . 1 67 67 LEU N N 15 119.199 0.211 . 1 . . . . . 67 L N . 50410 1 726 . 1 . 1 68 68 GLN H H 1 7.851 0.041 . 1 . . . . . 68 Q H . 50410 1 727 . 1 . 1 68 68 GLN HA H 1 3.793 0.031 . 1 . . . . . 68 Q HA . 50410 1 728 . 1 . 1 68 68 GLN HB2 H 1 2.074 0.000 . 2 . . . . . 68 Q HB2 . 50410 1 729 . 1 . 1 68 68 GLN HB3 H 1 2.074 0.000 . 2 . . . . . 68 Q HB3 . 50410 1 730 . 1 . 1 68 68 GLN HG2 H 1 2.525 0.008 . 2 . . . . . 68 Q HG2 . 50410 1 731 . 1 . 1 68 68 GLN HG3 H 1 2.525 0.008 . 2 . . . . . 68 Q HG3 . 50410 1 732 . 1 . 1 68 68 GLN HE21 H 1 7.899 0.002 . 2 . . . . . 68 Q HE21 . 50410 1 733 . 1 . 1 68 68 GLN HE22 H 1 6.937 0.002 . 2 . . . . . 68 Q HE22 . 50410 1 734 . 1 . 1 68 68 GLN C C 13 177.357 0.000 . 1 . . . . . 68 Q C . 50410 1 735 . 1 . 1 68 68 GLN CA C 13 58.351 0.023 . 1 . . . . . 68 Q CA . 50410 1 736 . 1 . 1 68 68 GLN CB C 13 28.180 0.195 . 1 . . . . . 68 Q CB . 50410 1 737 . 1 . 1 68 68 GLN CG C 13 33.764 0.104 . 1 . . . . . 68 Q CG . 50410 1 738 . 1 . 1 68 68 GLN N N 15 114.796 0.132 . 1 . . . . . 68 Q N . 50410 1 739 . 1 . 1 68 68 GLN NE2 N 15 112.146 0.027 . 1 . . . . . 68 Q NE2 . 50410 1 740 . 1 . 1 69 69 GLN H H 1 7.303 0.016 . 1 . . . . . 69 Q H . 50410 1 741 . 1 . 1 69 69 GLN HA H 1 4.132 0.031 . 1 . . . . . 69 Q HA . 50410 1 742 . 1 . 1 69 69 GLN HB2 H 1 2.043 0.021 . 2 . . . . . 69 Q HB2 . 50410 1 743 . 1 . 1 69 69 GLN HB3 H 1 2.043 0.021 . 2 . . . . . 69 Q HB3 . 50410 1 744 . 1 . 1 69 69 GLN HG2 H 1 2.319 0.011 . 2 . . . . . 69 Q HG2 . 50410 1 745 . 1 . 1 69 69 GLN HG3 H 1 2.319 0.011 . 2 . . . . . 69 Q HG3 . 50410 1 746 . 1 . 1 69 69 GLN C C 13 178.129 0.083 . 1 . . . . . 69 Q C . 50410 1 747 . 1 . 1 69 69 GLN CA C 13 57.489 0.193 . 1 . . . . . 69 Q CA . 50410 1 748 . 1 . 1 69 69 GLN CB C 13 29.776 0.246 . 1 . . . . . 69 Q CB . 50410 1 749 . 1 . 1 69 69 GLN CG C 13 36.361 0.142 . 1 . . . . . 69 Q CG . 50410 1 750 . 1 . 1 69 69 GLN N N 15 115.081 0.182 . 1 . . . . . 69 Q N . 50410 1 751 . 1 . 1 70 70 GLU H H 1 8.160 0.018 . 1 . . . . . 70 E H . 50410 1 752 . 1 . 1 70 70 GLU HA H 1 4.503 0.011 . 1 . . . . . 70 E HA . 50410 1 753 . 1 . 1 70 70 GLU HB2 H 1 1.941 0.001 . 2 . . . . . 70 E HB2 . 50410 1 754 . 1 . 1 70 70 GLU HB3 H 1 1.791 0.003 . 2 . . . . . 70 E HB3 . 50410 1 755 . 1 . 1 70 70 GLU C C 13 173.259 0.000 . 1 . . . . . 70 E C . 50410 1 756 . 1 . 1 70 70 GLU CA C 13 56.285 0.163 . 1 . . . . . 70 E CA . 50410 1 757 . 1 . 1 70 70 GLU CB C 13 30.701 0.000 . 1 . . . . . 70 E CB . 50410 1 758 . 1 . 1 70 70 GLU N N 15 114.542 0.172 . 1 . . . . . 70 E N . 50410 1 759 . 1 . 1 71 71 ALA H H 1 7.373 0.016 . 1 . . . . . 71 A H . 50410 1 760 . 1 . 1 71 71 ALA HA H 1 4.634 0.028 . 1 . . . . . 71 A HA . 50410 1 761 . 1 . 1 71 71 ALA HB1 H 1 1.317 0.009 . 1 . . . . . 71 A MB . 50410 1 762 . 1 . 1 71 71 ALA HB2 H 1 1.317 0.009 . 1 . . . . . 71 A MB . 50410 1 763 . 1 . 1 71 71 ALA HB3 H 1 1.317 0.009 . 1 . . . . . 71 A MB . 50410 1 764 . 1 . 1 71 71 ALA C C 13 175.850 0.000 . 1 . . . . . 71 A C . 50410 1 765 . 1 . 1 71 71 ALA CA C 13 50.665 0.195 . 1 . . . . . 71 A CA . 50410 1 766 . 1 . 1 71 71 ALA CB C 13 21.377 0.077 . 1 . . . . . 71 A CB . 50410 1 767 . 1 . 1 71 71 ALA N N 15 123.841 0.115 . 1 . . . . . 71 A N . 50410 1 768 . 1 . 1 72 72 GLN H H 1 8.836 0.002 . 1 . . . . . 72 Q H . 50410 1 769 . 1 . 1 72 72 GLN HA H 1 4.699 0.027 . 1 . . . . . 72 Q HA . 50410 1 770 . 1 . 1 72 72 GLN HB2 H 1 2.069 0.010 . 2 . . . . . 72 Q HB2 . 50410 1 771 . 1 . 1 72 72 GLN HB3 H 1 1.978 0.000 . 2 . . . . . 72 Q HB3 . 50410 1 772 . 1 . 1 72 72 GLN HG2 H 1 2.362 0.036 . 2 . . . . . 72 Q HG2 . 50410 1 773 . 1 . 1 72 72 GLN HG3 H 1 2.362 0.036 . 2 . . . . . 72 Q HG3 . 50410 1 774 . 1 . 1 72 72 GLN C C 13 179.028 0.000 . 1 . . . . . 72 Q C . 50410 1 775 . 1 . 1 72 72 GLN CA C 13 55.355 0.004 . 1 . . . . . 72 Q CA . 50410 1 776 . 1 . 1 72 72 GLN CB C 13 30.513 0.000 . 1 . . . . . 72 Q CB . 50410 1 777 . 1 . 1 72 72 GLN N N 15 118.136 0.027 . 1 . . . . . 72 Q N . 50410 1 778 . 1 . 1 73 73 GLY H H 1 8.443 0.014 . 1 . . . . . 73 G H . 50410 1 779 . 1 . 1 73 73 GLY HA2 H 1 4.259 0.030 . 2 . . . . . 73 G HA2 . 50410 1 780 . 1 . 1 73 73 GLY HA3 H 1 4.043 0.021 . 2 . . . . . 73 G HA3 . 50410 1 781 . 1 . 1 73 73 GLY CA C 13 43.829 0.093 . 1 . . . . . 73 G CA . 50410 1 782 . 1 . 1 73 73 GLY N N 15 115.964 0.070 . 1 . . . . . 73 G N . 50410 1 783 . 1 . 1 74 74 ILE H H 1 7.826 0.008 . 1 . . . . . 74 I H . 50410 1 784 . 1 . 1 74 74 ILE HA H 1 4.842 0.128 . 1 . . . . . 74 I HA . 50410 1 785 . 1 . 1 74 74 ILE HB H 1 2.078 0.094 . 1 . . . . . 74 I HB . 50410 1 786 . 1 . 1 74 74 ILE HG12 H 1 1.541 0.000 . 2 . . . . . 74 I HG12 . 50410 1 787 . 1 . 1 74 74 ILE HG13 H 1 1.922 0.000 . 2 . . . . . 74 I HG13 . 50410 1 788 . 1 . 1 74 74 ILE HG21 H 1 0.931 0.019 . 1 . . . . . 74 I MG . 50410 1 789 . 1 . 1 74 74 ILE HG22 H 1 0.931 0.019 . 1 . . . . . 74 I MG . 50410 1 790 . 1 . 1 74 74 ILE HG23 H 1 0.931 0.019 . 1 . . . . . 74 I MG . 50410 1 791 . 1 . 1 74 74 ILE HD11 H 1 0.898 0.016 . 1 . . . . . 74 I MD . 50410 1 792 . 1 . 1 74 74 ILE HD12 H 1 0.898 0.016 . 1 . . . . . 74 I MD . 50410 1 793 . 1 . 1 74 74 ILE HD13 H 1 0.898 0.016 . 1 . . . . . 74 I MD . 50410 1 794 . 1 . 1 74 74 ILE CA C 13 61.012 0.163 . 1 . . . . . 74 I CA . 50410 1 795 . 1 . 1 74 74 ILE CB C 13 38.727 0.087 . 1 . . . . . 74 I CB . 50410 1 796 . 1 . 1 74 74 ILE CG1 C 13 28.431 0.000 . 1 . . . . . 74 I CG1 . 50410 1 797 . 1 . 1 74 74 ILE CG2 C 13 17.700 0.137 . 1 . . . . . 74 I CG2 . 50410 1 798 . 1 . 1 74 74 ILE CD1 C 13 14.687 0.100 . 1 . . . . . 74 I CD1 . 50410 1 799 . 1 . 1 74 74 ILE N N 15 116.663 0.028 . 1 . . . . . 74 I N . 50410 1 800 . 1 . 1 75 75 LYS H H 1 7.154 0.004 . 1 . . . . . 75 K H . 50410 1 801 . 1 . 1 75 75 LYS HA H 1 4.687 0.003 . 1 . . . . . 75 K HA . 50410 1 802 . 1 . 1 75 75 LYS N N 15 116.515 0.024 . 1 . . . . . 75 K N . 50410 1 803 . 1 . 1 76 76 ALA HA H 1 5.156 0.023 . 1 . . . . . 76 A HA . 50410 1 804 . 1 . 1 76 76 ALA HB1 H 1 1.560 0.008 . 1 . . . . . 76 A MB . 50410 1 805 . 1 . 1 76 76 ALA HB2 H 1 1.560 0.008 . 1 . . . . . 76 A MB . 50410 1 806 . 1 . 1 76 76 ALA HB3 H 1 1.560 0.008 . 1 . . . . . 76 A MB . 50410 1 807 . 1 . 1 76 76 ALA CA C 13 51.120 0.120 . 1 . . . . . 76 A CA . 50410 1 808 . 1 . 1 76 76 ALA CB C 13 22.123 0.114 . 1 . . . . . 76 A CB . 50410 1 809 . 1 . 1 77 77 GLU H H 1 9.421 0.006 . 1 . . . . . 77 E H . 50410 1 810 . 1 . 1 77 77 GLU HA H 1 4.907 0.017 . 1 . . . . . 77 E HA . 50410 1 811 . 1 . 1 77 77 GLU HB2 H 1 2.057 0.012 . 2 . . . . . 77 E HB2 . 50410 1 812 . 1 . 1 77 77 GLU HB3 H 1 1.930 0.010 . 2 . . . . . 77 E HB3 . 50410 1 813 . 1 . 1 77 77 GLU CA C 13 52.877 0.039 . 1 . . . . . 77 E CA . 50410 1 814 . 1 . 1 77 77 GLU CB C 13 31.409 0.170 . 1 . . . . . 77 E CB . 50410 1 815 . 1 . 1 77 77 GLU CG C 13 36.349 0.000 . 1 . . . . . 77 E CG . 50410 1 816 . 1 . 1 77 77 GLU N N 15 123.304 0.029 . 1 . . . . . 77 E N . 50410 1 817 . 1 . 1 78 78 PRO HA H 1 4.141 0.010 . 1 . . . . . 78 P HA . 50410 1 818 . 1 . 1 78 78 PRO HB2 H 1 1.095 0.001 . 2 . . . . . 78 P HB2 . 50410 1 819 . 1 . 1 78 78 PRO HB3 H 1 0.498 0.033 . 2 . . . . . 78 P HB3 . 50410 1 820 . 1 . 1 78 78 PRO HG2 H 1 1.554 0.006 . 2 . . . . . 78 P HG2 . 50410 1 821 . 1 . 1 78 78 PRO HG3 H 1 0.464 0.001 . 2 . . . . . 78 P HG3 . 50410 1 822 . 1 . 1 78 78 PRO HD2 H 1 3.696 0.017 . 2 . . . . . 78 P HD2 . 50410 1 823 . 1 . 1 78 78 PRO HD3 H 1 2.864 0.013 . 2 . . . . . 78 P HD3 . 50410 1 824 . 1 . 1 78 78 PRO C C 13 175.638 0.000 . 1 . . . . . 78 P C . 50410 1 825 . 1 . 1 78 78 PRO CA C 13 62.634 0.026 . 1 . . . . . 78 P CA . 50410 1 826 . 1 . 1 78 78 PRO CB C 13 32.208 0.032 . 1 . . . . . 78 P CB . 50410 1 827 . 1 . 1 78 78 PRO CG C 13 26.023 0.085 . 1 . . . . . 78 P CG . 50410 1 828 . 1 . 1 78 78 PRO CD C 13 50.193 0.091 . 1 . . . . . 78 P CD . 50410 1 829 . 1 . 1 79 79 GLN H H 1 9.358 0.009 . 1 . . . . . 79 Q H . 50410 1 830 . 1 . 1 79 79 GLN HA H 1 4.548 0.013 . 1 . . . . . 79 Q HA . 50410 1 831 . 1 . 1 79 79 GLN HB2 H 1 2.123 0.009 . 2 . . . . . 79 Q HB2 . 50410 1 832 . 1 . 1 79 79 GLN HB3 H 1 2.123 0.009 . 2 . . . . . 79 Q HB3 . 50410 1 833 . 1 . 1 79 79 GLN HG2 H 1 2.484 0.010 . 2 . . . . . 79 Q HG2 . 50410 1 834 . 1 . 1 79 79 GLN HG3 H 1 2.372 0.014 . 2 . . . . . 79 Q HG3 . 50410 1 835 . 1 . 1 79 79 GLN C C 13 175.495 0.000 . 1 . . . . . 79 Q C . 50410 1 836 . 1 . 1 79 79 GLN CA C 13 57.337 0.030 . 1 . . . . . 79 Q CA . 50410 1 837 . 1 . 1 79 79 GLN CB C 13 30.977 0.138 . 1 . . . . . 79 Q CB . 50410 1 838 . 1 . 1 79 79 GLN CG C 13 34.032 0.093 . 1 . . . . . 79 Q CG . 50410 1 839 . 1 . 1 79 79 GLN N N 15 121.239 0.169 . 1 . . . . . 79 Q N . 50410 1 840 . 1 . 1 80 80 GLN H H 1 7.803 0.005 . 1 . . . . . 80 Q H . 50410 1 841 . 1 . 1 80 80 GLN HA H 1 5.103 0.015 . 1 . . . . . 80 Q HA . 50410 1 842 . 1 . 1 80 80 GLN HB2 H 1 2.219 0.013 . 2 . . . . . 80 Q HB2 . 50410 1 843 . 1 . 1 80 80 GLN HB3 H 1 2.091 0.015 . 2 . . . . . 80 Q HB3 . 50410 1 844 . 1 . 1 80 80 GLN C C 13 173.844 0.007 . 1 . . . . . 80 Q C . 50410 1 845 . 1 . 1 80 80 GLN CA C 13 54.887 0.064 . 1 . . . . . 80 Q CA . 50410 1 846 . 1 . 1 80 80 GLN CB C 13 31.519 0.022 . 1 . . . . . 80 Q CB . 50410 1 847 . 1 . 1 80 80 GLN CG C 13 32.880 0.000 . 1 . . . . . 80 Q CG . 50410 1 848 . 1 . 1 80 80 GLN N N 15 115.078 0.035 . 1 . . . . . 80 Q N . 50410 1 849 . 1 . 1 81 81 GLY H H 1 8.843 0.008 . 1 . . . . . 81 G H . 50410 1 850 . 1 . 1 81 81 GLY HA2 H 1 5.186 0.014 . 2 . . . . . 81 G HA2 . 50410 1 851 . 1 . 1 81 81 GLY HA3 H 1 3.841 0.008 . 2 . . . . . 81 G HA3 . 50410 1 852 . 1 . 1 81 81 GLY C C 13 170.870 0.000 . 1 . . . . . 81 G C . 50410 1 853 . 1 . 1 81 81 GLY CA C 13 46.291 0.115 . 1 . . . . . 81 G CA . 50410 1 854 . 1 . 1 81 81 GLY N N 15 109.325 0.090 . 1 . . . . . 81 G N . 50410 1 855 . 1 . 1 82 82 LEU H H 1 8.703 0.007 . 1 . . . . . 82 L H . 50410 1 856 . 1 . 1 82 82 LEU HA H 1 4.696 0.010 . 1 . . . . . 82 L HA . 50410 1 857 . 1 . 1 82 82 LEU HB2 H 1 1.684 0.014 . 2 . . . . . 82 L HB2 . 50410 1 858 . 1 . 1 82 82 LEU HB3 H 1 1.614 0.009 . 2 . . . . . 82 L HB3 . 50410 1 859 . 1 . 1 82 82 LEU HG H 1 1.563 0.007 . 1 . . . . . 82 L HG . 50410 1 860 . 1 . 1 82 82 LEU HD11 H 1 0.916 0.009 . 2 . . . . . 82 L MD1 . 50410 1 861 . 1 . 1 82 82 LEU HD12 H 1 0.916 0.009 . 2 . . . . . 82 L MD1 . 50410 1 862 . 1 . 1 82 82 LEU HD13 H 1 0.916 0.009 . 2 . . . . . 82 L MD1 . 50410 1 863 . 1 . 1 82 82 LEU HD21 H 1 0.885 0.011 . 2 . . . . . 82 L MD2 . 50410 1 864 . 1 . 1 82 82 LEU HD22 H 1 0.885 0.011 . 2 . . . . . 82 L MD2 . 50410 1 865 . 1 . 1 82 82 LEU HD23 H 1 0.885 0.011 . 2 . . . . . 82 L MD2 . 50410 1 866 . 1 . 1 82 82 LEU C C 13 174.572 0.017 . 1 . . . . . 82 L C . 50410 1 867 . 1 . 1 82 82 LEU CA C 13 54.884 0.084 . 1 . . . . . 82 L CA . 50410 1 868 . 1 . 1 82 82 LEU CB C 13 46.107 0.086 . 1 . . . . . 82 L CB . 50410 1 869 . 1 . 1 82 82 LEU CG C 13 27.094 0.059 . 1 . . . . . 82 L CG . 50410 1 870 . 1 . 1 82 82 LEU CD1 C 13 24.943 0.084 . 2 . . . . . 82 L CD1 . 50410 1 871 . 1 . 1 82 82 LEU CD2 C 13 24.718 0.000 . 2 . . . . . 82 L CD2 . 50410 1 872 . 1 . 1 82 82 LEU N N 15 119.388 0.038 . 1 . . . . . 82 L N . 50410 1 873 . 1 . 1 83 83 ALA H H 1 8.719 0.069 . 1 . . . . . 83 A H . 50410 1 874 . 1 . 1 83 83 ALA HA H 1 5.498 0.016 . 1 . . . . . 83 A HA . 50410 1 875 . 1 . 1 83 83 ALA HB1 H 1 1.325 0.009 . 1 . . . . . 83 A MB . 50410 1 876 . 1 . 1 83 83 ALA HB2 H 1 1.325 0.009 . 1 . . . . . 83 A MB . 50410 1 877 . 1 . 1 83 83 ALA HB3 H 1 1.325 0.009 . 1 . . . . . 83 A MB . 50410 1 878 . 1 . 1 83 83 ALA C C 13 176.144 0.021 . 1 . . . . . 83 A C . 50410 1 879 . 1 . 1 83 83 ALA CA C 13 50.666 0.117 . 1 . . . . . 83 A CA . 50410 1 880 . 1 . 1 83 83 ALA CB C 13 22.922 0.072 . 1 . . . . . 83 A CB . 50410 1 881 . 1 . 1 83 83 ALA N N 15 125.193 1.412 . 1 . . . . . 83 A N . 50410 1 882 . 1 . 1 84 84 GLU H H 1 8.921 0.010 . 1 . . . . . 84 E H . 50410 1 883 . 1 . 1 84 84 GLU HA H 1 4.752 0.018 . 1 . . . . . 84 E HA . 50410 1 884 . 1 . 1 84 84 GLU HB2 H 1 2.037 0.013 . 2 . . . . . 84 E HB2 . 50410 1 885 . 1 . 1 84 84 GLU HB3 H 1 1.965 0.010 . 2 . . . . . 84 E HB3 . 50410 1 886 . 1 . 1 84 84 GLU HG2 H 1 2.172 0.015 . 2 . . . . . 84 E HG2 . 50410 1 887 . 1 . 1 84 84 GLU HG3 H 1 2.172 0.015 . 2 . . . . . 84 E HG3 . 50410 1 888 . 1 . 1 84 84 GLU C C 13 174.964 0.000 . 1 . . . . . 84 E C . 50410 1 889 . 1 . 1 84 84 GLU CA C 13 55.260 0.112 . 1 . . . . . 84 E CA . 50410 1 890 . 1 . 1 84 84 GLU CB C 13 33.802 0.144 . 1 . . . . . 84 E CB . 50410 1 891 . 1 . 1 84 84 GLU CG C 13 36.293 0.055 . 1 . . . . . 84 E CG . 50410 1 892 . 1 . 1 84 84 GLU N N 15 120.677 0.048 . 1 . . . . . 84 E N . 50410 1 893 . 1 . 1 85 85 THR H H 1 8.887 0.005 . 1 . . . . . 85 T H . 50410 1 894 . 1 . 1 85 85 THR HA H 1 5.027 0.013 . 1 . . . . . 85 T HA . 50410 1 895 . 1 . 1 85 85 THR HB H 1 4.003 0.012 . 1 . . . . . 85 T HB . 50410 1 896 . 1 . 1 85 85 THR HG21 H 1 1.244 0.010 . 1 . . . . . 85 T MG . 50410 1 897 . 1 . 1 85 85 THR HG22 H 1 1.244 0.010 . 1 . . . . . 85 T MG . 50410 1 898 . 1 . 1 85 85 THR HG23 H 1 1.244 0.010 . 1 . . . . . 85 T MG . 50410 1 899 . 1 . 1 85 85 THR C C 13 174.416 0.008 . 1 . . . . . 85 T C . 50410 1 900 . 1 . 1 85 85 THR CA C 13 61.966 0.093 . 1 . . . . . 85 T CA . 50410 1 901 . 1 . 1 85 85 THR CB C 13 70.275 0.112 . 1 . . . . . 85 T CB . 50410 1 902 . 1 . 1 85 85 THR CG2 C 13 21.535 0.070 . 1 . . . . . 85 T CG2 . 50410 1 903 . 1 . 1 85 85 THR N N 15 120.968 0.103 . 1 . . . . . 85 T N . 50410 1 904 . 1 . 1 86 86 SER H H 1 8.882 0.011 . 1 . . . . . 86 S H . 50410 1 905 . 1 . 1 86 86 SER HA H 1 4.733 0.029 . 1 . . . . . 86 S HA . 50410 1 906 . 1 . 1 86 86 SER HB2 H 1 4.186 0.008 . 2 . . . . . 86 S HB2 . 50410 1 907 . 1 . 1 86 86 SER HB3 H 1 3.910 0.011 . 2 . . . . . 86 S HB3 . 50410 1 908 . 1 . 1 86 86 SER C C 13 176.452 0.036 . 1 . . . . . 86 S C . 50410 1 909 . 1 . 1 86 86 SER CA C 13 57.197 0.071 . 1 . . . . . 86 S CA . 50410 1 910 . 1 . 1 86 86 SER CB C 13 64.867 0.088 . 1 . . . . . 86 S CB . 50410 1 911 . 1 . 1 86 86 SER N N 15 121.375 0.088 . 1 . . . . . 86 S N . 50410 1 912 . 1 . 1 87 87 GLU H H 1 9.025 0.009 . 1 . . . . . 87 E H . 50410 1 913 . 1 . 1 87 87 GLU HA H 1 4.077 0.013 . 1 . . . . . 87 E HA . 50410 1 914 . 1 . 1 87 87 GLU HB2 H 1 2.047 0.012 . 2 . . . . . 87 E HB2 . 50410 1 915 . 1 . 1 87 87 GLU HB3 H 1 2.047 0.012 . 2 . . . . . 87 E HB3 . 50410 1 916 . 1 . 1 87 87 GLU HG2 H 1 2.310 0.013 . 2 . . . . . 87 E HG2 . 50410 1 917 . 1 . 1 87 87 GLU HG3 H 1 2.310 0.013 . 2 . . . . . 87 E HG3 . 50410 1 918 . 1 . 1 87 87 GLU C C 13 176.502 0.000 . 1 . . . . . 87 E C . 50410 1 919 . 1 . 1 87 87 GLU CA C 13 58.944 0.053 . 1 . . . . . 87 E CA . 50410 1 920 . 1 . 1 87 87 GLU CB C 13 29.478 0.077 . 1 . . . . . 87 E CB . 50410 1 921 . 1 . 1 87 87 GLU CG C 13 36.385 0.025 . 1 . . . . . 87 E CG . 50410 1 922 . 1 . 1 87 87 GLU N N 15 122.470 0.056 . 1 . . . . . 87 E N . 50410 1 923 . 1 . 1 88 88 ASP H H 1 8.019 0.008 . 1 . . . . . 88 D H . 50410 1 924 . 1 . 1 88 88 ASP HA H 1 4.435 0.012 . 1 . . . . . 88 D HA . 50410 1 925 . 1 . 1 88 88 ASP HB2 H 1 2.769 0.013 . 2 . . . . . 88 D HB2 . 50410 1 926 . 1 . 1 88 88 ASP HB3 H 1 2.573 0.007 . 2 . . . . . 88 D HB3 . 50410 1 927 . 1 . 1 88 88 ASP C C 13 176.750 0.014 . 1 . . . . . 88 D C . 50410 1 928 . 1 . 1 88 88 ASP CA C 13 53.598 0.096 . 1 . . . . . 88 D CA . 50410 1 929 . 1 . 1 88 88 ASP CB C 13 39.997 0.057 . 1 . . . . . 88 D CB . 50410 1 930 . 1 . 1 88 88 ASP N N 15 116.506 0.044 . 1 . . . . . 88 D N . 50410 1 931 . 1 . 1 89 89 GLY H H 1 8.068 0.005 . 1 . . . . . 89 G H . 50410 1 932 . 1 . 1 89 89 GLY HA2 H 1 4.207 0.009 . 2 . . . . . 89 G HA2 . 50410 1 933 . 1 . 1 89 89 GLY HA3 H 1 3.615 0.009 . 2 . . . . . 89 G HA3 . 50410 1 934 . 1 . 1 89 89 GLY C C 13 174.986 0.019 . 1 . . . . . 89 G C . 50410 1 935 . 1 . 1 89 89 GLY CA C 13 45.377 0.111 . 1 . . . . . 89 G CA . 50410 1 936 . 1 . 1 89 89 GLY N N 15 106.746 0.057 . 1 . . . . . 89 G N . 50410 1 937 . 1 . 1 90 90 HIS H H 1 7.897 0.011 . 1 . . . . . 90 H H . 50410 1 938 . 1 . 1 90 90 HIS HA H 1 4.863 0.020 . 1 . . . . . 90 H HA . 50410 1 939 . 1 . 1 90 90 HIS HB2 H 1 3.176 0.023 . 2 . . . . . 90 H HB2 . 50410 1 940 . 1 . 1 90 90 HIS HB3 H 1 3.007 0.017 . 2 . . . . . 90 H HB3 . 50410 1 941 . 1 . 1 90 90 HIS HD2 H 1 6.631 0.022 . 1 . . . . . 90 H HD2 . 50410 1 942 . 1 . 1 90 90 HIS HE1 H 1 8.103 0.274 . 1 . . . . . 90 H HE1 . 50410 1 943 . 1 . 1 90 90 HIS C C 13 174.546 0.011 . 1 . . . . . 90 H C . 50410 1 944 . 1 . 1 90 90 HIS CA C 13 55.870 0.064 . 1 . . . . . 90 H CA . 50410 1 945 . 1 . 1 90 90 HIS CB C 13 30.450 0.097 . 1 . . . . . 90 H CB . 50410 1 946 . 1 . 1 90 90 HIS N N 15 119.678 0.245 . 1 . . . . . 90 H N . 50410 1 947 . 1 . 1 91 91 THR H H 1 8.518 0.020 . 1 . . . . . 91 T H . 50410 1 948 . 1 . 1 91 91 THR HA H 1 5.002 0.018 . 1 . . . . . 91 T HA . 50410 1 949 . 1 . 1 91 91 THR HB H 1 3.708 0.011 . 1 . . . . . 91 T HB . 50410 1 950 . 1 . 1 91 91 THR HG21 H 1 1.046 0.008 . 1 . . . . . 91 T MG . 50410 1 951 . 1 . 1 91 91 THR HG22 H 1 1.046 0.008 . 1 . . . . . 91 T MG . 50410 1 952 . 1 . 1 91 91 THR HG23 H 1 1.046 0.008 . 1 . . . . . 91 T MG . 50410 1 953 . 1 . 1 91 91 THR C C 13 173.267 0.043 . 1 . . . . . 91 T C . 50410 1 954 . 1 . 1 91 91 THR CA C 13 62.562 0.118 . 1 . . . . . 91 T CA . 50410 1 955 . 1 . 1 91 91 THR CB C 13 70.856 0.112 . 1 . . . . . 91 T CB . 50410 1 956 . 1 . 1 91 91 THR CG2 C 13 20.955 0.116 . 1 . . . . . 91 T CG2 . 50410 1 957 . 1 . 1 91 91 THR N N 15 117.184 0.064 . 1 . . . . . 91 T N . 50410 1 958 . 1 . 1 92 92 GLN H H 1 9.235 0.006 . 1 . . . . . 92 Q H . 50410 1 959 . 1 . 1 92 92 GLN HA H 1 5.377 0.010 . 1 . . . . . 92 Q HA . 50410 1 960 . 1 . 1 92 92 GLN HB2 H 1 2.192 0.013 . 2 . . . . . 92 Q HB2 . 50410 1 961 . 1 . 1 92 92 GLN HB3 H 1 2.065 0.012 . 2 . . . . . 92 Q HB3 . 50410 1 962 . 1 . 1 92 92 GLN HG2 H 1 2.442 0.008 . 2 . . . . . 92 Q HG2 . 50410 1 963 . 1 . 1 92 92 GLN HG3 H 1 2.350 0.000 . 2 . . . . . 92 Q HG3 . 50410 1 964 . 1 . 1 92 92 GLN HE21 H 1 7.438 0.000 . 2 . . . . . 92 Q HE21 . 50410 1 965 . 1 . 1 92 92 GLN HE22 H 1 6.718 0.000 . 2 . . . . . 92 Q HE22 . 50410 1 966 . 1 . 1 92 92 GLN C C 13 175.511 0.010 . 1 . . . . . 92 Q C . 50410 1 967 . 1 . 1 92 92 GLN CA C 13 54.398 0.130 . 1 . . . . . 92 Q CA . 50410 1 968 . 1 . 1 92 92 GLN CB C 13 30.005 0.221 . 1 . . . . . 92 Q CB . 50410 1 969 . 1 . 1 92 92 GLN CG C 13 33.381 0.095 . 1 . . . . . 92 Q CG . 50410 1 970 . 1 . 1 92 92 GLN N N 15 127.461 0.108 . 1 . . . . . 92 Q N . 50410 1 971 . 1 . 1 93 93 VAL H H 1 9.434 0.005 . 1 . . . . . 93 V H . 50410 1 972 . 1 . 1 93 93 VAL HA H 1 5.192 0.011 . 1 . . . . . 93 V HA . 50410 1 973 . 1 . 1 93 93 VAL HB H 1 2.021 0.010 . 1 . . . . . 93 V HB . 50410 1 974 . 1 . 1 93 93 VAL HG11 H 1 0.977 0.007 . 2 . . . . . 93 V MG1 . 50410 1 975 . 1 . 1 93 93 VAL HG12 H 1 0.977 0.007 . 2 . . . . . 93 V MG1 . 50410 1 976 . 1 . 1 93 93 VAL HG13 H 1 0.977 0.007 . 2 . . . . . 93 V MG1 . 50410 1 977 . 1 . 1 93 93 VAL HG21 H 1 0.806 0.010 . 2 . . . . . 93 V MG2 . 50410 1 978 . 1 . 1 93 93 VAL HG22 H 1 0.806 0.010 . 2 . . . . . 93 V MG2 . 50410 1 979 . 1 . 1 93 93 VAL HG23 H 1 0.806 0.010 . 2 . . . . . 93 V MG2 . 50410 1 980 . 1 . 1 93 93 VAL C C 13 174.846 0.001 . 1 . . . . . 93 V C . 50410 1 981 . 1 . 1 93 93 VAL CA C 13 60.591 0.098 . 1 . . . . . 93 V CA . 50410 1 982 . 1 . 1 93 93 VAL CB C 13 35.462 0.109 . 1 . . . . . 93 V CB . 50410 1 983 . 1 . 1 93 93 VAL CG1 C 13 22.575 0.194 . 2 . . . . . 93 V CG1 . 50410 1 984 . 1 . 1 93 93 VAL CG2 C 13 21.049 0.099 . 2 . . . . . 93 V CG2 . 50410 1 985 . 1 . 1 93 93 VAL N N 15 124.410 0.068 . 1 . . . . . 93 V N . 50410 1 986 . 1 . 1 94 94 GLN H H 1 9.011 0.015 . 1 . . . . . 94 Q H . 50410 1 987 . 1 . 1 94 94 GLN HA H 1 5.709 0.011 . 1 . . . . . 94 Q HA . 50410 1 988 . 1 . 1 94 94 GLN HB2 H 1 2.125 0.015 . 2 . . . . . 94 Q HB2 . 50410 1 989 . 1 . 1 94 94 GLN HB3 H 1 2.091 0.008 . 2 . . . . . 94 Q HB3 . 50410 1 990 . 1 . 1 94 94 GLN HG2 H 1 2.445 0.002 . 2 . . . . . 94 Q HG2 . 50410 1 991 . 1 . 1 94 94 GLN HG3 H 1 2.375 0.022 . 2 . . . . . 94 Q HG3 . 50410 1 992 . 1 . 1 94 94 GLN HE21 H 1 7.469 0.004 . 2 . . . . . 94 Q HE21 . 50410 1 993 . 1 . 1 94 94 GLN HE22 H 1 6.720 0.005 . 2 . . . . . 94 Q HE22 . 50410 1 994 . 1 . 1 94 94 GLN C C 13 175.079 0.071 . 1 . . . . . 94 Q C . 50410 1 995 . 1 . 1 94 94 GLN CA C 13 54.419 0.157 . 1 . . . . . 94 Q CA . 50410 1 996 . 1 . 1 94 94 GLN CB C 13 32.174 0.088 . 1 . . . . . 94 Q CB . 50410 1 997 . 1 . 1 94 94 GLN CG C 13 34.177 0.100 . 1 . . . . . 94 Q CG . 50410 1 998 . 1 . 1 94 94 GLN N N 15 126.594 0.059 . 1 . . . . . 94 Q N . 50410 1 999 . 1 . 1 94 94 GLN NE2 N 15 110.884 0.029 . 1 . . . . . 94 Q NE2 . 50410 1 1000 . 1 . 1 95 95 VAL H H 1 9.778 0.005 . 1 . . . . . 95 V H . 50410 1 1001 . 1 . 1 95 95 VAL HA H 1 5.180 0.012 . 1 . . . . . 95 V HA . 50410 1 1002 . 1 . 1 95 95 VAL HB H 1 2.505 0.006 . 1 . . . . . 95 V HB . 50410 1 1003 . 1 . 1 95 95 VAL HG11 H 1 1.068 0.010 . 2 . . . . . 95 V MG1 . 50410 1 1004 . 1 . 1 95 95 VAL HG12 H 1 1.068 0.010 . 2 . . . . . 95 V MG1 . 50410 1 1005 . 1 . 1 95 95 VAL HG13 H 1 1.068 0.010 . 2 . . . . . 95 V MG1 . 50410 1 1006 . 1 . 1 95 95 VAL HG21 H 1 0.893 0.023 . 2 . . . . . 95 V MG2 . 50410 1 1007 . 1 . 1 95 95 VAL HG22 H 1 0.893 0.023 . 2 . . . . . 95 V MG2 . 50410 1 1008 . 1 . 1 95 95 VAL HG23 H 1 0.893 0.023 . 2 . . . . . 95 V MG2 . 50410 1 1009 . 1 . 1 95 95 VAL C C 13 174.181 0.000 . 1 . . . . . 95 V C . 50410 1 1010 . 1 . 1 95 95 VAL CA C 13 60.986 0.133 . 1 . . . . . 95 V CA . 50410 1 1011 . 1 . 1 95 95 VAL CB C 13 36.245 0.066 . 1 . . . . . 95 V CB . 50410 1 1012 . 1 . 1 95 95 VAL CG1 C 13 22.642 0.082 . 2 . . . . . 95 V CG1 . 50410 1 1013 . 1 . 1 95 95 VAL CG2 C 13 22.438 0.144 . 2 . . . . . 95 V CG2 . 50410 1 1014 . 1 . 1 95 95 VAL N N 15 123.882 0.165 . 1 . . . . . 95 V N . 50410 1 1015 . 1 . 1 96 96 SER H H 1 9.512 0.024 . 1 . . . . . 96 S H . 50410 1 1016 . 1 . 1 96 96 SER HA H 1 5.719 0.014 . 1 . . . . . 96 S HA . 50410 1 1017 . 1 . 1 96 96 SER HB2 H 1 4.071 0.012 . 2 . . . . . 96 S HB2 . 50410 1 1018 . 1 . 1 96 96 SER HB3 H 1 3.924 0.013 . 2 . . . . . 96 S HB3 . 50410 1 1019 . 1 . 1 96 96 SER C C 13 175.165 0.000 . 1 . . . . . 96 S C . 50410 1 1020 . 1 . 1 96 96 SER CA C 13 56.609 0.144 . 1 . . . . . 96 S CA . 50410 1 1021 . 1 . 1 96 96 SER CB C 13 65.835 0.084 . 1 . . . . . 96 S CB . 50410 1 1022 . 1 . 1 96 96 SER N N 15 122.172 0.069 . 1 . . . . . 96 S N . 50410 1 1023 . 1 . 1 97 97 GLY H H 1 8.845 0.009 . 1 . . . . . 97 G H . 50410 1 1024 . 1 . 1 97 97 GLY HA2 H 1 4.809 0.025 . 2 . . . . . 97 G HA2 . 50410 1 1025 . 1 . 1 97 97 GLY HA3 H 1 4.361 0.014 . 2 . . . . . 97 G HA3 . 50410 1 1026 . 1 . 1 97 97 GLY C C 13 170.851 0.000 . 1 . . . . . 97 G C . 50410 1 1027 . 1 . 1 97 97 GLY CA C 13 46.827 0.066 . 1 . . . . . 97 G CA . 50410 1 1028 . 1 . 1 97 97 GLY N N 15 110.754 0.136 . 1 . . . . . 97 G N . 50410 1 1029 . 1 . 1 98 98 LYS H H 1 8.259 0.008 . 1 . . . . . 98 K H . 50410 1 1030 . 1 . 1 98 98 LYS HA H 1 5.384 0.016 . 1 . . . . . 98 K HA . 50410 1 1031 . 1 . 1 98 98 LYS HB2 H 1 1.859 0.025 . 2 . . . . . 98 K HB2 . 50410 1 1032 . 1 . 1 98 98 LYS HB3 H 1 1.768 0.014 . 2 . . . . . 98 K HB3 . 50410 1 1033 . 1 . 1 98 98 LYS HG2 H 1 1.477 0.000 . 2 . . . . . 98 K HG2 . 50410 1 1034 . 1 . 1 98 98 LYS HG3 H 1 1.410 0.000 . 2 . . . . . 98 K HG3 . 50410 1 1035 . 1 . 1 98 98 LYS HE2 H 1 2.875 0.002 . 2 . . . . . 98 K HE2 . 50410 1 1036 . 1 . 1 98 98 LYS HE3 H 1 2.875 0.002 . 2 . . . . . 98 K HE3 . 50410 1 1037 . 1 . 1 98 98 LYS C C 13 176.239 0.000 . 1 . . . . . 98 K C . 50410 1 1038 . 1 . 1 98 98 LYS CA C 13 54.598 0.175 . 1 . . . . . 98 K CA . 50410 1 1039 . 1 . 1 98 98 LYS CB C 13 36.709 0.048 . 1 . . . . . 98 K CB . 50410 1 1040 . 1 . 1 98 98 LYS CG C 13 24.739 0.056 . 1 . . . . . 98 K CG . 50410 1 1041 . 1 . 1 98 98 LYS CD C 13 29.201 0.067 . 1 . . . . . 98 K CD . 50410 1 1042 . 1 . 1 98 98 LYS CE C 13 41.830 0.027 . 1 . . . . . 98 K CE . 50410 1 1043 . 1 . 1 98 98 LYS N N 15 122.006 0.092 . 1 . . . . . 98 K N . 50410 1 1044 . 1 . 1 99 99 ALA H H 1 9.090 0.007 . 1 . . . . . 99 A H . 50410 1 1045 . 1 . 1 99 99 ALA HA H 1 5.364 0.015 . 1 . . . . . 99 A HA . 50410 1 1046 . 1 . 1 99 99 ALA HB1 H 1 1.311 0.016 . 1 . . . . . 99 A MB . 50410 1 1047 . 1 . 1 99 99 ALA HB2 H 1 1.311 0.016 . 1 . . . . . 99 A MB . 50410 1 1048 . 1 . 1 99 99 ALA HB3 H 1 1.311 0.016 . 1 . . . . . 99 A MB . 50410 1 1049 . 1 . 1 99 99 ALA CA C 13 51.119 0.263 . 1 . . . . . 99 A CA . 50410 1 1050 . 1 . 1 99 99 ALA CB C 13 21.277 0.057 . 1 . . . . . 99 A CB . 50410 1 1051 . 1 . 1 99 99 ALA N N 15 123.284 0.324 . 1 . . . . . 99 A N . 50410 1 1052 . 1 . 1 100 100 GLN H H 1 9.017 0.005 . 1 . . . . . 100 Q H . 50410 1 1053 . 1 . 1 100 100 GLN HA H 1 5.135 0.011 . 1 . . . . . 100 Q HA . 50410 1 1054 . 1 . 1 100 100 GLN HB2 H 1 2.144 0.007 . 2 . . . . . 100 Q HB2 . 50410 1 1055 . 1 . 1 100 100 GLN HB3 H 1 2.015 0.015 . 2 . . . . . 100 Q HB3 . 50410 1 1056 . 1 . 1 100 100 GLN HG2 H 1 2.314 0.005 . 2 . . . . . 100 Q HG2 . 50410 1 1057 . 1 . 1 100 100 GLN HG3 H 1 2.314 0.005 . 2 . . . . . 100 Q HG3 . 50410 1 1058 . 1 . 1 100 100 GLN HE21 H 1 7.451 0.000 . 2 . . . . . 100 Q HE21 . 50410 1 1059 . 1 . 1 100 100 GLN HE22 H 1 6.688 0.002 . 2 . . . . . 100 Q HE22 . 50410 1 1060 . 1 . 1 100 100 GLN CA C 13 54.882 0.013 . 1 . . . . . 100 Q CA . 50410 1 1061 . 1 . 1 100 100 GLN CB C 13 31.360 0.079 . 1 . . . . . 100 Q CB . 50410 1 1062 . 1 . 1 100 100 GLN CG C 13 33.103 0.000 . 1 . . . . . 100 Q CG . 50410 1 1063 . 1 . 1 100 100 GLN N N 15 120.097 0.015 . 1 . . . . . 100 Q N . 50410 1 1064 . 1 . 1 100 100 GLN NE2 N 15 111.316 0.028 . 1 . . . . . 100 Q NE2 . 50410 1 1065 . 1 . 1 101 101 THR H H 1 8.606 0.003 . 1 . . . . . 101 T H . 50410 1 1066 . 1 . 1 101 101 THR HA H 1 4.648 0.030 . 1 . . . . . 101 T HA . 50410 1 1067 . 1 . 1 101 101 THR HB H 1 3.917 0.008 . 1 . . . . . 101 T HB . 50410 1 1068 . 1 . 1 101 101 THR HG21 H 1 0.879 0.000 . 1 . . . . . 101 T MG . 50410 1 1069 . 1 . 1 101 101 THR HG22 H 1 0.879 0.000 . 1 . . . . . 101 T MG . 50410 1 1070 . 1 . 1 101 101 THR HG23 H 1 0.879 0.000 . 1 . . . . . 101 T MG . 50410 1 1071 . 1 . 1 101 101 THR CA C 13 62.048 0.120 . 1 . . . . . 101 T CA . 50410 1 1072 . 1 . 1 101 101 THR CB C 13 70.404 0.098 . 1 . . . . . 101 T CB . 50410 1 1073 . 1 . 1 101 101 THR CG2 C 13 20.721 0.000 . 1 . . . . . 101 T CG2 . 50410 1 1074 . 1 . 1 101 101 THR N N 15 114.943 0.001 . 1 . . . . . 101 T N . 50410 1 1075 . 1 . 1 105 105 GLY HA2 H 1 4.956 0.000 . 2 . . . . . 105 G HA2 . 50410 1 1076 . 1 . 1 105 105 GLY HA3 H 1 3.632 0.000 . 2 . . . . . 105 G HA3 . 50410 1 1077 . 1 . 1 106 106 VAL H H 1 8.582 0.004 . 1 . . . . . 106 V H . 50410 1 1078 . 1 . 1 106 106 VAL HA H 1 4.571 0.022 . 1 . . . . . 106 V HA . 50410 1 1079 . 1 . 1 106 106 VAL HB H 1 2.030 0.009 . 1 . . . . . 106 V HB . 50410 1 1080 . 1 . 1 106 106 VAL HG11 H 1 0.802 0.009 . 2 . . . . . 106 V MG1 . 50410 1 1081 . 1 . 1 106 106 VAL HG12 H 1 0.802 0.009 . 2 . . . . . 106 V MG1 . 50410 1 1082 . 1 . 1 106 106 VAL HG13 H 1 0.802 0.009 . 2 . . . . . 106 V MG1 . 50410 1 1083 . 1 . 1 106 106 VAL HG21 H 1 0.802 0.009 . 2 . . . . . 106 V MG2 . 50410 1 1084 . 1 . 1 106 106 VAL HG22 H 1 0.802 0.009 . 2 . . . . . 106 V MG2 . 50410 1 1085 . 1 . 1 106 106 VAL HG23 H 1 0.802 0.009 . 2 . . . . . 106 V MG2 . 50410 1 1086 . 1 . 1 106 106 VAL CA C 13 59.962 0.030 . 1 . . . . . 106 V CA . 50410 1 1087 . 1 . 1 106 106 VAL CB C 13 35.572 0.179 . 1 . . . . . 106 V CB . 50410 1 1088 . 1 . 1 106 106 VAL CG1 C 13 21.268 0.088 . 2 . . . . . 106 V CG1 . 50410 1 1089 . 1 . 1 106 106 VAL CG2 C 13 21.268 0.088 . 2 . . . . . 106 V CG2 . 50410 1 1090 . 1 . 1 106 106 VAL N N 15 117.581 0.029 . 1 . . . . . 106 V N . 50410 1 1091 . 1 . 1 107 107 ASN H H 1 8.706 0.005 . 1 . . . . . 107 N H . 50410 1 1092 . 1 . 1 107 107 ASN HA H 1 5.156 0.019 . 1 . . . . . 107 N HA . 50410 1 1093 . 1 . 1 107 107 ASN HB2 H 1 2.888 0.017 . 2 . . . . . 107 N HB2 . 50410 1 1094 . 1 . 1 107 107 ASN HB3 H 1 2.792 0.027 . 2 . . . . . 107 N HB3 . 50410 1 1095 . 1 . 1 107 107 ASN HD21 H 1 7.628 0.001 . 2 . . . . . 107 N HD21 . 50410 1 1096 . 1 . 1 107 107 ASN HD22 H 1 6.914 0.004 . 2 . . . . . 107 N HD22 . 50410 1 1097 . 1 . 1 107 107 ASN CA C 13 53.622 0.087 . 1 . . . . . 107 N CA . 50410 1 1098 . 1 . 1 107 107 ASN CB C 13 38.635 0.203 . 1 . . . . . 107 N CB . 50410 1 1099 . 1 . 1 107 107 ASN N N 15 123.315 0.002 . 1 . . . . . 107 N N . 50410 1 1100 . 1 . 1 107 107 ASN ND2 N 15 113.120 0.000 . 1 . . . . . 107 N ND2 . 50410 1 1101 . 1 . 1 108 108 VAL H H 1 8.502 0.011 . 1 . . . . . 108 V H . 50410 1 1102 . 1 . 1 108 108 VAL HA H 1 4.541 0.024 . 1 . . . . . 108 V HA . 50410 1 1103 . 1 . 1 108 108 VAL HB H 1 0.970 0.005 . 1 . . . . . 108 V HB . 50410 1 1104 . 1 . 1 108 108 VAL HG11 H 1 0.088 0.005 . 2 . . . . . 108 V MG1 . 50410 1 1105 . 1 . 1 108 108 VAL HG12 H 1 0.088 0.005 . 2 . . . . . 108 V MG1 . 50410 1 1106 . 1 . 1 108 108 VAL HG13 H 1 0.088 0.005 . 2 . . . . . 108 V MG1 . 50410 1 1107 . 1 . 1 108 108 VAL HG21 H 1 -0.204 0.018 . 2 . . . . . 108 V MG2 . 50410 1 1108 . 1 . 1 108 108 VAL HG22 H 1 -0.204 0.018 . 2 . . . . . 108 V MG2 . 50410 1 1109 . 1 . 1 108 108 VAL HG23 H 1 -0.204 0.018 . 2 . . . . . 108 V MG2 . 50410 1 1110 . 1 . 1 108 108 VAL CA C 13 60.225 0.242 . 1 . . . . . 108 V CA . 50410 1 1111 . 1 . 1 108 108 VAL CB C 13 36.503 0.118 . 1 . . . . . 108 V CB . 50410 1 1112 . 1 . 1 108 108 VAL CG1 C 13 21.003 0.104 . 2 . . . . . 108 V CG1 . 50410 1 1113 . 1 . 1 108 108 VAL CG2 C 13 21.750 0.145 . 2 . . . . . 108 V CG2 . 50410 1 1114 . 1 . 1 108 108 VAL N N 15 119.435 0.012 . 1 . . . . . 108 V N . 50410 1 1115 . 1 . 1 109 109 LEU H H 1 8.470 0.006 . 1 . . . . . 109 L H . 50410 1 1116 . 1 . 1 109 109 LEU HA H 1 5.078 0.018 . 1 . . . . . 109 L HA . 50410 1 1117 . 1 . 1 109 109 LEU HB2 H 1 1.570 0.013 . 2 . . . . . 109 L HB2 . 50410 1 1118 . 1 . 1 109 109 LEU HB3 H 1 1.288 0.004 . 2 . . . . . 109 L HB3 . 50410 1 1119 . 1 . 1 109 109 LEU HG H 1 1.367 0.021 . 1 . . . . . 109 L HG . 50410 1 1120 . 1 . 1 109 109 LEU HD11 H 1 0.905 0.010 . 2 . . . . . 109 L MD1 . 50410 1 1121 . 1 . 1 109 109 LEU HD12 H 1 0.905 0.010 . 2 . . . . . 109 L MD1 . 50410 1 1122 . 1 . 1 109 109 LEU HD13 H 1 0.905 0.010 . 2 . . . . . 109 L MD1 . 50410 1 1123 . 1 . 1 109 109 LEU HD21 H 1 0.835 0.005 . 2 . . . . . 109 L MD2 . 50410 1 1124 . 1 . 1 109 109 LEU HD22 H 1 0.835 0.005 . 2 . . . . . 109 L MD2 . 50410 1 1125 . 1 . 1 109 109 LEU HD23 H 1 0.835 0.005 . 2 . . . . . 109 L MD2 . 50410 1 1126 . 1 . 1 109 109 LEU C C 13 174.821 0.000 . 1 . . . . . 109 L C . 50410 1 1127 . 1 . 1 109 109 LEU CA C 13 53.585 0.089 . 1 . . . . . 109 L CA . 50410 1 1128 . 1 . 1 109 109 LEU CB C 13 46.239 0.083 . 1 . . . . . 109 L CB . 50410 1 1129 . 1 . 1 109 109 LEU CG C 13 27.141 0.226 . 1 . . . . . 109 L CG . 50410 1 1130 . 1 . 1 109 109 LEU CD1 C 13 24.002 0.091 . 2 . . . . . 109 L CD1 . 50410 1 1131 . 1 . 1 109 109 LEU CD2 C 13 25.652 0.192 . 2 . . . . . 109 L CD2 . 50410 1 1132 . 1 . 1 109 109 LEU N N 15 124.978 0.133 . 1 . . . . . 109 L N . 50410 1 1133 . 1 . 1 110 110 TRP H H 1 9.905 0.008 . 1 . . . . . 110 W H . 50410 1 1134 . 1 . 1 110 110 TRP HA H 1 4.784 0.006 . 1 . . . . . 110 W HA . 50410 1 1135 . 1 . 1 110 110 TRP HB2 H 1 3.414 0.013 . 2 . . . . . 110 W HB2 . 50410 1 1136 . 1 . 1 110 110 TRP HB3 H 1 2.661 0.010 . 2 . . . . . 110 W HB3 . 50410 1 1137 . 1 . 1 110 110 TRP HE3 H 1 7.794 0.016 . 1 . . . . . 110 W HE3 . 50410 1 1138 . 1 . 1 110 110 TRP HZ3 H 1 6.506 0.000 . 1 . . . . . 110 W HZ3 . 50410 1 1139 . 1 . 1 110 110 TRP HH2 H 1 6.957 0.000 . 1 . . . . . 110 W HH2 . 50410 1 1140 . 1 . 1 110 110 TRP C C 13 175.022 0.000 . 1 . . . . . 110 W C . 50410 1 1141 . 1 . 1 110 110 TRP CA C 13 58.899 0.056 . 1 . . . . . 110 W CA . 50410 1 1142 . 1 . 1 110 110 TRP CB C 13 33.209 0.170 . 1 . . . . . 110 W CB . 50410 1 1143 . 1 . 1 110 110 TRP N N 15 125.398 0.104 . 1 . . . . . 110 W N . 50410 1 1144 . 1 . 1 111 111 LEU H H 1 8.568 0.029 . 1 . . . . . 111 L H . 50410 1 1145 . 1 . 1 111 111 LEU HA H 1 5.365 0.010 . 1 . . . . . 111 L HA . 50410 1 1146 . 1 . 1 111 111 LEU HB2 H 1 1.653 0.011 . 2 . . . . . 111 L HB2 . 50410 1 1147 . 1 . 1 111 111 LEU HB3 H 1 1.574 0.017 . 2 . . . . . 111 L HB3 . 50410 1 1148 . 1 . 1 111 111 LEU HG H 1 2.002 0.000 . 1 . . . . . 111 L HG . 50410 1 1149 . 1 . 1 111 111 LEU HD11 H 1 0.913 0.009 . 2 . . . . . 111 L MD1 . 50410 1 1150 . 1 . 1 111 111 LEU HD12 H 1 0.913 0.009 . 2 . . . . . 111 L MD1 . 50410 1 1151 . 1 . 1 111 111 LEU HD13 H 1 0.913 0.009 . 2 . . . . . 111 L MD1 . 50410 1 1152 . 1 . 1 111 111 LEU HD21 H 1 0.800 0.012 . 2 . . . . . 111 L MD2 . 50410 1 1153 . 1 . 1 111 111 LEU HD22 H 1 0.800 0.012 . 2 . . . . . 111 L MD2 . 50410 1 1154 . 1 . 1 111 111 LEU HD23 H 1 0.800 0.012 . 2 . . . . . 111 L MD2 . 50410 1 1155 . 1 . 1 111 111 LEU C C 13 176.698 0.000 . 1 . . . . . 111 L C . 50410 1 1156 . 1 . 1 111 111 LEU CA C 13 53.926 0.252 . 1 . . . . . 111 L CA . 50410 1 1157 . 1 . 1 111 111 LEU CB C 13 43.612 0.099 . 1 . . . . . 111 L CB . 50410 1 1158 . 1 . 1 111 111 LEU CG C 13 27.958 0.000 . 1 . . . . . 111 L CG . 50410 1 1159 . 1 . 1 111 111 LEU CD1 C 13 24.714 0.109 . 2 . . . . . 111 L CD1 . 50410 1 1160 . 1 . 1 111 111 LEU CD2 C 13 25.326 0.239 . 2 . . . . . 111 L CD2 . 50410 1 1161 . 1 . 1 111 111 LEU N N 15 122.131 0.106 . 1 . . . . . 111 L N . 50410 1 1162 . 1 . 1 112 112 PHE H H 1 9.487 0.020 . 1 . . . . . 112 F H . 50410 1 1163 . 1 . 1 112 112 PHE HA H 1 5.553 0.008 . 1 . . . . . 112 F HA . 50410 1 1164 . 1 . 1 112 112 PHE HB2 H 1 2.744 0.013 . 2 . . . . . 112 F HB2 . 50410 1 1165 . 1 . 1 112 112 PHE HB3 H 1 2.619 0.015 . 2 . . . . . 112 F HB3 . 50410 1 1166 . 1 . 1 112 112 PHE HD1 H 1 6.782 0.014 . 3 . . . . . 112 F HD1 . 50410 1 1167 . 1 . 1 112 112 PHE HD2 H 1 6.782 0.014 . 3 . . . . . 112 F HD2 . 50410 1 1168 . 1 . 1 112 112 PHE HE1 H 1 7.053 0.024 . 3 . . . . . 112 F HE1 . 50410 1 1169 . 1 . 1 112 112 PHE HE2 H 1 7.053 0.024 . 3 . . . . . 112 F HE2 . 50410 1 1170 . 1 . 1 112 112 PHE C C 13 176.137 0.033 . 1 . . . . . 112 F C . 50410 1 1171 . 1 . 1 112 112 PHE CA C 13 56.252 0.141 . 1 . . . . . 112 F CA . 50410 1 1172 . 1 . 1 112 112 PHE CB C 13 43.939 0.056 . 1 . . . . . 112 F CB . 50410 1 1173 . 1 . 1 112 112 PHE N N 15 119.340 0.050 . 1 . . . . . 112 F N . 50410 1 1174 . 1 . 1 113 113 THR H H 1 9.068 0.005 . 1 . . . . . 113 T H . 50410 1 1175 . 1 . 1 113 113 THR HA H 1 5.303 0.018 . 1 . . . . . 113 T HA . 50410 1 1176 . 1 . 1 113 113 THR HB H 1 3.826 0.016 . 1 . . . . . 113 T HB . 50410 1 1177 . 1 . 1 113 113 THR HG21 H 1 1.192 0.007 . 1 . . . . . 113 T MG . 50410 1 1178 . 1 . 1 113 113 THR HG22 H 1 1.192 0.007 . 1 . . . . . 113 T MG . 50410 1 1179 . 1 . 1 113 113 THR HG23 H 1 1.192 0.007 . 1 . . . . . 113 T MG . 50410 1 1180 . 1 . 1 113 113 THR C C 13 173.658 0.046 . 1 . . . . . 113 T C . 50410 1 1181 . 1 . 1 113 113 THR CA C 13 62.464 0.098 . 1 . . . . . 113 T CA . 50410 1 1182 . 1 . 1 113 113 THR CB C 13 70.492 0.063 . 1 . . . . . 113 T CB . 50410 1 1183 . 1 . 1 113 113 THR CG2 C 13 22.815 0.073 . 1 . . . . . 113 T CG2 . 50410 1 1184 . 1 . 1 113 113 THR N N 15 117.837 0.126 . 1 . . . . . 113 T N . 50410 1 1185 . 1 . 1 114 114 LEU H H 1 9.580 0.005 . 1 . . . . . 114 L H . 50410 1 1186 . 1 . 1 114 114 LEU HA H 1 5.433 0.023 . 1 . . . . . 114 L HA . 50410 1 1187 . 1 . 1 114 114 LEU HB2 H 1 1.722 0.009 . 2 . . . . . 114 L HB2 . 50410 1 1188 . 1 . 1 114 114 LEU HB3 H 1 1.302 0.015 . 2 . . . . . 114 L HB3 . 50410 1 1189 . 1 . 1 114 114 LEU HG H 1 1.402 0.009 . 1 . . . . . 114 L HG . 50410 1 1190 . 1 . 1 114 114 LEU HD11 H 1 0.611 0.009 . 2 . . . . . 114 L MD1 . 50410 1 1191 . 1 . 1 114 114 LEU HD12 H 1 0.611 0.009 . 2 . . . . . 114 L MD1 . 50410 1 1192 . 1 . 1 114 114 LEU HD13 H 1 0.611 0.009 . 2 . . . . . 114 L MD1 . 50410 1 1193 . 1 . 1 114 114 LEU HD21 H 1 0.453 0.005 . 2 . . . . . 114 L MD2 . 50410 1 1194 . 1 . 1 114 114 LEU HD22 H 1 0.453 0.005 . 2 . . . . . 114 L MD2 . 50410 1 1195 . 1 . 1 114 114 LEU HD23 H 1 0.453 0.005 . 2 . . . . . 114 L MD2 . 50410 1 1196 . 1 . 1 114 114 LEU C C 13 177.085 0.007 . 1 . . . . . 114 L C . 50410 1 1197 . 1 . 1 114 114 LEU CA C 13 52.260 0.123 . 1 . . . . . 114 L CA . 50410 1 1198 . 1 . 1 114 114 LEU CB C 13 44.388 0.132 . 1 . . . . . 114 L CB . 50410 1 1199 . 1 . 1 114 114 LEU CG C 13 27.384 0.167 . 1 . . . . . 114 L CG . 50410 1 1200 . 1 . 1 114 114 LEU CD1 C 13 25.723 0.149 . 2 . . . . . 114 L CD1 . 50410 1 1201 . 1 . 1 114 114 LEU CD2 C 13 24.847 0.088 . 2 . . . . . 114 L CD2 . 50410 1 1202 . 1 . 1 114 114 LEU N N 15 126.794 0.096 . 1 . . . . . 114 L N . 50410 1 1203 . 1 . 1 115 115 ASN H H 1 8.343 0.007 . 1 . . . . . 115 N H . 50410 1 1204 . 1 . 1 115 115 ASN HA H 1 4.473 0.024 . 1 . . . . . 115 N HA . 50410 1 1205 . 1 . 1 115 115 ASN HB2 H 1 3.564 0.024 . 2 . . . . . 115 N HB2 . 50410 1 1206 . 1 . 1 115 115 ASN HB3 H 1 2.743 0.015 . 2 . . . . . 115 N HB3 . 50410 1 1207 . 1 . 1 115 115 ASN HD21 H 1 7.865 0.003 . 2 . . . . . 115 N HD21 . 50410 1 1208 . 1 . 1 115 115 ASN HD22 H 1 7.494 0.002 . 2 . . . . . 115 N HD22 . 50410 1 1209 . 1 . 1 115 115 ASN C C 13 178.197 0.000 . 1 . . . . . 115 N C . 50410 1 1210 . 1 . 1 115 115 ASN CA C 13 50.846 0.085 . 1 . . . . . 115 N CA . 50410 1 1211 . 1 . 1 115 115 ASN CB C 13 38.354 0.045 . 1 . . . . . 115 N CB . 50410 1 1212 . 1 . 1 115 115 ASN N N 15 117.293 0.053 . 1 . . . . . 115 N N . 50410 1 1213 . 1 . 1 115 115 ASN ND2 N 15 111.225 0.051 . 1 . . . . . 115 N ND2 . 50410 1 1214 . 1 . 1 116 116 GLN H H 1 8.468 0.007 . 1 . . . . . 116 Q H . 50410 1 1215 . 1 . 1 116 116 GLN HA H 1 4.026 0.010 . 1 . . . . . 116 Q HA . 50410 1 1216 . 1 . 1 116 116 GLN HB2 H 1 2.109 0.007 . 2 . . . . . 116 Q HB2 . 50410 1 1217 . 1 . 1 116 116 GLN HB3 H 1 2.109 0.007 . 2 . . . . . 116 Q HB3 . 50410 1 1218 . 1 . 1 116 116 GLN HG2 H 1 2.549 0.008 . 2 . . . . . 116 Q HG2 . 50410 1 1219 . 1 . 1 116 116 GLN HG3 H 1 2.411 0.011 . 2 . . . . . 116 Q HG3 . 50410 1 1220 . 1 . 1 116 116 GLN HE21 H 1 7.505 0.002 . 2 . . . . . 116 Q HE21 . 50410 1 1221 . 1 . 1 116 116 GLN HE22 H 1 6.867 0.042 . 2 . . . . . 116 Q HE22 . 50410 1 1222 . 1 . 1 116 116 GLN C C 13 176.873 0.017 . 1 . . . . . 116 Q C . 50410 1 1223 . 1 . 1 116 116 GLN CA C 13 59.657 0.151 . 1 . . . . . 116 Q CA . 50410 1 1224 . 1 . 1 116 116 GLN CB C 13 28.017 0.166 . 1 . . . . . 116 Q CB . 50410 1 1225 . 1 . 1 116 116 GLN CG C 13 34.107 0.130 . 1 . . . . . 116 Q CG . 50410 1 1226 . 1 . 1 116 116 GLN N N 15 123.014 0.000 . 1 . . . . . 116 Q N . 50410 1 1227 . 1 . 1 116 116 GLN NE2 N 15 111.342 0.231 . 1 . . . . . 116 Q NE2 . 50410 1 1228 . 1 . 1 117 117 GLU H H 1 7.514 0.012 . 1 . . . . . 117 E H . 50410 1 1229 . 1 . 1 117 117 GLU HA H 1 4.268 0.006 . 1 . . . . . 117 E HA . 50410 1 1230 . 1 . 1 117 117 GLU HB2 H 1 2.183 0.022 . 2 . . . . . 117 E HB2 . 50410 1 1231 . 1 . 1 117 117 GLU HB3 H 1 1.864 0.009 . 2 . . . . . 117 E HB3 . 50410 1 1232 . 1 . 1 117 117 GLU HG2 H 1 2.249 0.001 . 2 . . . . . 117 E HG2 . 50410 1 1233 . 1 . 1 117 117 GLU HG3 H 1 2.179 0.011 . 2 . . . . . 117 E HG3 . 50410 1 1234 . 1 . 1 117 117 GLU C C 13 175.033 0.009 . 1 . . . . . 117 E C . 50410 1 1235 . 1 . 1 117 117 GLU CA C 13 56.630 0.063 . 1 . . . . . 117 E CA . 50410 1 1236 . 1 . 1 117 117 GLU CB C 13 28.864 0.023 . 1 . . . . . 117 E CB . 50410 1 1237 . 1 . 1 117 117 GLU CG C 13 36.866 0.038 . 1 . . . . . 117 E CG . 50410 1 1238 . 1 . 1 117 117 GLU N N 15 117.583 0.059 . 1 . . . . . 117 E N . 50410 1 1239 . 1 . 1 118 118 LYS H H 1 8.147 0.007 . 1 . . . . . 118 K H . 50410 1 1240 . 1 . 1 118 118 LYS HA H 1 3.619 0.008 . 1 . . . . . 118 K HA . 50410 1 1241 . 1 . 1 118 118 LYS HB2 H 1 2.321 0.013 . 2 . . . . . 118 K HB2 . 50410 1 1242 . 1 . 1 118 118 LYS HB3 H 1 1.850 0.010 . 2 . . . . . 118 K HB3 . 50410 1 1243 . 1 . 1 118 118 LYS HG2 H 1 1.524 0.001 . 2 . . . . . 118 K HG2 . 50410 1 1244 . 1 . 1 118 118 LYS HG3 H 1 1.161 0.019 . 2 . . . . . 118 K HG3 . 50410 1 1245 . 1 . 1 118 118 LYS HD2 H 1 1.598 0.000 . 2 . . . . . 118 K HD2 . 50410 1 1246 . 1 . 1 118 118 LYS HD3 H 1 1.356 0.001 . 2 . . . . . 118 K HD3 . 50410 1 1247 . 1 . 1 118 118 LYS HE2 H 1 2.995 0.007 . 2 . . . . . 118 K HE2 . 50410 1 1248 . 1 . 1 118 118 LYS HE3 H 1 2.995 0.007 . 2 . . . . . 118 K HE3 . 50410 1 1249 . 1 . 1 118 118 LYS C C 13 175.508 . . 1 . . . . . 118 K C . 50410 1 1250 . 1 . 1 118 118 LYS CA C 13 56.003 0.155 . 1 . . . . . 118 K CA . 50410 1 1251 . 1 . 1 118 118 LYS CB C 13 27.660 0.073 . 1 . . . . . 118 K CB . 50410 1 1252 . 1 . 1 118 118 LYS CG C 13 23.765 0.103 . 1 . . . . . 118 K CG . 50410 1 1253 . 1 . 1 118 118 LYS CD C 13 23.405 0.000 . 1 . . . . . 118 K CD . 50410 1 1254 . 1 . 1 118 118 LYS CE C 13 42.008 0.129 . 1 . . . . . 118 K CE . 50410 1 1255 . 1 . 1 118 118 LYS N N 15 111.049 0.053 . 1 . . . . . 118 K N . 50410 1 1256 . 1 . 1 119 119 GLN H H 1 8.037 0.012 . 1 . . . . . 119 Q H . 50410 1 1257 . 1 . 1 119 119 GLN HA H 1 4.507 0.008 . 1 . . . . . 119 Q HA . 50410 1 1258 . 1 . 1 119 119 GLN HB2 H 1 1.920 0.008 . 2 . . . . . 119 Q HB2 . 50410 1 1259 . 1 . 1 119 119 GLN HB3 H 1 1.775 0.011 . 2 . . . . . 119 Q HB3 . 50410 1 1260 . 1 . 1 119 119 GLN HG2 H 1 2.294 0.000 . 2 . . . . . 119 Q HG2 . 50410 1 1261 . 1 . 1 119 119 GLN HG3 H 1 2.178 0.000 . 2 . . . . . 119 Q HG3 . 50410 1 1262 . 1 . 1 119 119 GLN C C 13 176.415 0.062 . 1 . . . . . 119 Q C . 50410 1 1263 . 1 . 1 119 119 GLN CA C 13 54.182 0.096 . 1 . . . . . 119 Q CA . 50410 1 1264 . 1 . 1 119 119 GLN CB C 13 30.248 0.067 . 1 . . . . . 119 Q CB . 50410 1 1265 . 1 . 1 119 119 GLN CG C 13 34.035 0.000 . 1 . . . . . 119 Q CG . 50410 1 1266 . 1 . 1 119 119 GLN N N 15 116.769 0.052 . 1 . . . . . 119 Q N . 50410 1 1267 . 1 . 1 120 120 ILE H H 1 8.797 0.007 . 1 . . . . . 120 I H . 50410 1 1268 . 1 . 1 120 120 ILE HA H 1 3.898 0.015 . 1 . . . . . 120 I HA . 50410 1 1269 . 1 . 1 120 120 ILE HB H 1 0.456 0.008 . 1 . . . . . 120 I HB . 50410 1 1270 . 1 . 1 120 120 ILE HG12 H 1 1.199 0.008 . 2 . . . . . 120 I HG12 . 50410 1 1271 . 1 . 1 120 120 ILE HG13 H 1 0.125 0.009 . 2 . . . . . 120 I HG13 . 50410 1 1272 . 1 . 1 120 120 ILE HG21 H 1 0.461 0.006 . 1 . . . . . 120 I MG . 50410 1 1273 . 1 . 1 120 120 ILE HG22 H 1 0.461 0.006 . 1 . . . . . 120 I MG . 50410 1 1274 . 1 . 1 120 120 ILE HG23 H 1 0.461 0.006 . 1 . . . . . 120 I MG . 50410 1 1275 . 1 . 1 120 120 ILE HD11 H 1 0.097 0.009 . 1 . . . . . 120 I MD . 50410 1 1276 . 1 . 1 120 120 ILE HD12 H 1 0.097 0.009 . 1 . . . . . 120 I MD . 50410 1 1277 . 1 . 1 120 120 ILE HD13 H 1 0.097 0.009 . 1 . . . . . 120 I MD . 50410 1 1278 . 1 . 1 120 120 ILE C C 13 176.571 0.000 . 1 . . . . . 120 I C . 50410 1 1279 . 1 . 1 120 120 ILE CA C 13 63.054 0.051 . 1 . . . . . 120 I CA . 50410 1 1280 . 1 . 1 120 120 ILE CB C 13 37.850 0.120 . 1 . . . . . 120 I CB . 50410 1 1281 . 1 . 1 120 120 ILE CG1 C 13 27.348 0.063 . 1 . . . . . 120 I CG1 . 50410 1 1282 . 1 . 1 120 120 ILE CG2 C 13 20.579 0.123 . 1 . . . . . 120 I CG2 . 50410 1 1283 . 1 . 1 120 120 ILE CD1 C 13 13.876 0.073 . 1 . . . . . 120 I CD1 . 50410 1 1284 . 1 . 1 120 120 ILE N N 15 120.462 0.100 . 1 . . . . . 120 I N . 50410 1 1285 . 1 . 1 121 121 ILE H H 1 8.776 0.006 . 1 . . . . . 121 I H . 50410 1 1286 . 1 . 1 121 121 ILE HA H 1 4.763 0.015 . 1 . . . . . 121 I HA . 50410 1 1287 . 1 . 1 121 121 ILE HB H 1 2.096 0.009 . 1 . . . . . 121 I HB . 50410 1 1288 . 1 . 1 121 121 ILE HG12 H 1 1.280 0.007 . 2 . . . . . 121 I HG12 . 50410 1 1289 . 1 . 1 121 121 ILE HG13 H 1 0.821 0.003 . 2 . . . . . 121 I HG13 . 50410 1 1290 . 1 . 1 121 121 ILE HG21 H 1 0.908 0.009 . 1 . . . . . 121 I MG . 50410 1 1291 . 1 . 1 121 121 ILE HG22 H 1 0.908 0.009 . 1 . . . . . 121 I MG . 50410 1 1292 . 1 . 1 121 121 ILE HG23 H 1 0.908 0.009 . 1 . . . . . 121 I MG . 50410 1 1293 . 1 . 1 121 121 ILE HD11 H 1 0.746 0.017 . 1 . . . . . 121 I MD . 50410 1 1294 . 1 . 1 121 121 ILE HD12 H 1 0.746 0.017 . 1 . . . . . 121 I MD . 50410 1 1295 . 1 . 1 121 121 ILE HD13 H 1 0.746 0.017 . 1 . . . . . 121 I MD . 50410 1 1296 . 1 . 1 121 121 ILE C C 13 176.593 0.000 . 1 . . . . . 121 I C . 50410 1 1297 . 1 . 1 121 121 ILE CA C 13 61.172 0.053 . 1 . . . . . 121 I CA . 50410 1 1298 . 1 . 1 121 121 ILE CB C 13 38.693 0.076 . 1 . . . . . 121 I CB . 50410 1 1299 . 1 . 1 121 121 ILE CG1 C 13 26.620 0.192 . 1 . . . . . 121 I CG1 . 50410 1 1300 . 1 . 1 121 121 ILE CG2 C 13 19.425 0.097 . 1 . . . . . 121 I CG2 . 50410 1 1301 . 1 . 1 121 121 ILE CD1 C 13 14.281 0.131 . 1 . . . . . 121 I CD1 . 50410 1 1302 . 1 . 1 121 121 ILE N N 15 121.391 0.096 . 1 . . . . . 121 I N . 50410 1 1303 . 1 . 1 122 122 HIS H H 1 7.654 0.006 . 1 . . . . . 122 H H . 50410 1 1304 . 1 . 1 122 122 HIS HA H 1 5.695 0.010 . 1 . . . . . 122 H HA . 50410 1 1305 . 1 . 1 122 122 HIS HB2 H 1 3.244 0.013 . 2 . . . . . 122 H HB2 . 50410 1 1306 . 1 . 1 122 122 HIS HB3 H 1 2.999 0.017 . 2 . . . . . 122 H HB3 . 50410 1 1307 . 1 . 1 122 122 HIS HD2 H 1 6.866 0.069 . 1 . . . . . 122 H HD2 . 50410 1 1308 . 1 . 1 122 122 HIS C C 13 174.930 0.000 . 1 . . . . . 122 H C . 50410 1 1309 . 1 . 1 122 122 HIS CA C 13 56.692 0.062 . 1 . . . . . 122 H CA . 50410 1 1310 . 1 . 1 122 122 HIS CB C 13 34.791 0.092 . 1 . . . . . 122 H CB . 50410 1 1311 . 1 . 1 122 122 HIS N N 15 123.802 0.147 . 1 . . . . . 122 H N . 50410 1 1312 . 1 . 1 123 123 THR H H 1 8.366 0.014 . 1 . . . . . 123 T H . 50410 1 1313 . 1 . 1 123 123 THR HA H 1 5.357 0.023 . 1 . . . . . 123 T HA . 50410 1 1314 . 1 . 1 123 123 THR HB H 1 3.911 0.009 . 1 . . . . . 123 T HB . 50410 1 1315 . 1 . 1 123 123 THR HG21 H 1 0.908 0.002 . 1 . . . . . 123 T MG . 50410 1 1316 . 1 . 1 123 123 THR HG22 H 1 0.908 0.002 . 1 . . . . . 123 T MG . 50410 1 1317 . 1 . 1 123 123 THR HG23 H 1 0.908 0.002 . 1 . . . . . 123 T MG . 50410 1 1318 . 1 . 1 123 123 THR CA C 13 60.490 0.120 . 1 . . . . . 123 T CA . 50410 1 1319 . 1 . 1 123 123 THR CB C 13 71.018 0.094 . 1 . . . . . 123 T CB . 50410 1 1320 . 1 . 1 123 123 THR CG2 C 13 24.882 0.000 . 1 . . . . . 123 T CG2 . 50410 1 1321 . 1 . 1 123 123 THR N N 15 119.586 0.097 . 1 . . . . . 123 T N . 50410 1 1322 . 1 . 1 124 124 GLN H H 1 7.807 0.010 . 1 . . . . . 124 Q H . 50410 1 1323 . 1 . 1 124 124 GLN HA H 1 4.092 0.015 . 1 . . . . . 124 Q HA . 50410 1 1324 . 1 . 1 124 124 GLN HB2 H 1 2.020 0.000 . 2 . . . . . 124 Q HB2 . 50410 1 1325 . 1 . 1 124 124 GLN HB3 H 1 2.020 0.000 . 2 . . . . . 124 Q HB3 . 50410 1 1326 . 1 . 1 124 124 GLN HG2 H 1 2.322 0.008 . 2 . . . . . 124 Q HG2 . 50410 1 1327 . 1 . 1 124 124 GLN HG3 H 1 2.322 0.008 . 2 . . . . . 124 Q HG3 . 50410 1 1328 . 1 . 1 124 124 GLN CA C 13 58.857 0.084 . 1 . . . . . 124 Q CA . 50410 1 1329 . 1 . 1 124 124 GLN CB C 13 29.628 0.000 . 1 . . . . . 124 Q CB . 50410 1 1330 . 1 . 1 124 124 GLN CG C 13 36.434 0.000 . 1 . . . . . 124 Q CG . 50410 1 1331 . 1 . 1 124 124 GLN N N 15 121.649 0.135 . 1 . . . . . 124 Q N . 50410 1 1332 . 1 . 1 125 125 ILE H H 1 8.303 0.005 . 1 . . . . . 125 I H . 50410 1 1333 . 1 . 1 125 125 ILE HA H 1 4.500 0.017 . 1 . . . . . 125 I HA . 50410 1 1334 . 1 . 1 125 125 ILE HB H 1 1.414 0.015 . 1 . . . . . 125 I HB . 50410 1 1335 . 1 . 1 125 125 ILE HG12 H 1 0.690 0.007 . 2 . . . . . 125 I HG12 . 50410 1 1336 . 1 . 1 125 125 ILE HG13 H 1 0.690 0.007 . 2 . . . . . 125 I HG13 . 50410 1 1337 . 1 . 1 125 125 ILE HG21 H 1 0.248 0.022 . 1 . . . . . 125 I MG . 50410 1 1338 . 1 . 1 125 125 ILE HG22 H 1 0.248 0.022 . 1 . . . . . 125 I MG . 50410 1 1339 . 1 . 1 125 125 ILE HG23 H 1 0.248 0.022 . 1 . . . . . 125 I MG . 50410 1 1340 . 1 . 1 125 125 ILE HD11 H 1 0.912 0.004 . 1 . . . . . 125 I MD . 50410 1 1341 . 1 . 1 125 125 ILE HD12 H 1 0.912 0.004 . 1 . . . . . 125 I MD . 50410 1 1342 . 1 . 1 125 125 ILE HD13 H 1 0.912 0.004 . 1 . . . . . 125 I MD . 50410 1 1343 . 1 . 1 125 125 ILE CA C 13 60.240 0.163 . 1 . . . . . 125 I CA . 50410 1 1344 . 1 . 1 125 125 ILE CB C 13 39.979 0.119 . 1 . . . . . 125 I CB . 50410 1 1345 . 1 . 1 125 125 ILE CG1 C 13 28.355 0.195 . 1 . . . . . 125 I CG1 . 50410 1 1346 . 1 . 1 125 125 ILE CG2 C 13 17.662 0.176 . 1 . . . . . 125 I CG2 . 50410 1 1347 . 1 . 1 125 125 ILE CD1 C 13 14.084 0.413 . 1 . . . . . 125 I CD1 . 50410 1 1348 . 1 . 1 125 125 ILE N N 15 126.572 0.016 . 1 . . . . . 125 I N . 50410 1 1349 . 1 . 1 126 126 LYS H H 1 8.928 0.007 . 1 . . . . . 126 K H . 50410 1 1350 . 1 . 1 126 126 LYS HA H 1 4.431 0.013 . 1 . . . . . 126 K HA . 50410 1 1351 . 1 . 1 126 126 LYS HB2 H 1 1.793 0.000 . 2 . . . . . 126 K HB2 . 50410 1 1352 . 1 . 1 126 126 LYS HB3 H 1 1.651 0.008 . 2 . . . . . 126 K HB3 . 50410 1 1353 . 1 . 1 126 126 LYS HG2 H 1 1.185 0.007 . 2 . . . . . 126 K HG2 . 50410 1 1354 . 1 . 1 126 126 LYS HG3 H 1 1.119 0.011 . 2 . . . . . 126 K HG3 . 50410 1 1355 . 1 . 1 126 126 LYS HD2 H 1 1.494 0.040 . 2 . . . . . 126 K HD2 . 50410 1 1356 . 1 . 1 126 126 LYS HD3 H 1 1.494 0.040 . 2 . . . . . 126 K HD3 . 50410 1 1357 . 1 . 1 126 126 LYS HE2 H 1 2.755 0.008 . 2 . . . . . 126 K HE2 . 50410 1 1358 . 1 . 1 126 126 LYS HE3 H 1 2.755 0.008 . 2 . . . . . 126 K HE3 . 50410 1 1359 . 1 . 1 126 126 LYS CA C 13 54.058 0.123 . 1 . . . . . 126 K CA . 50410 1 1360 . 1 . 1 126 126 LYS CB C 13 34.427 0.259 . 1 . . . . . 126 K CB . 50410 1 1361 . 1 . 1 126 126 LYS CG C 13 24.654 0.063 . 1 . . . . . 126 K CG . 50410 1 1362 . 1 . 1 126 126 LYS CD C 13 29.123 0.088 . 1 . . . . . 126 K CD . 50410 1 1363 . 1 . 1 126 126 LYS CE C 13 41.734 0.428 . 1 . . . . . 126 K CE . 50410 1 1364 . 1 . 1 126 126 LYS N N 15 126.936 0.051 . 1 . . . . . 126 K N . 50410 1 1365 . 1 . 1 127 127 LEU H H 1 8.373 0.000 . 1 . . . . . 127 L H . 50410 1 1366 . 1 . 1 127 127 LEU HA H 1 3.993 0.023 . 1 . . . . . 127 L HA . 50410 1 1367 . 1 . 1 127 127 LEU HB2 H 1 1.730 0.007 . 2 . . . . . 127 L HB2 . 50410 1 1368 . 1 . 1 127 127 LEU HB3 H 1 1.561 0.007 . 2 . . . . . 127 L HB3 . 50410 1 1369 . 1 . 1 127 127 LEU HD11 H 1 0.863 0.001 . 2 . . . . . 127 L MD1 . 50410 1 1370 . 1 . 1 127 127 LEU HD12 H 1 0.863 0.001 . 2 . . . . . 127 L MD1 . 50410 1 1371 . 1 . 1 127 127 LEU HD13 H 1 0.863 0.001 . 2 . . . . . 127 L MD1 . 50410 1 1372 . 1 . 1 127 127 LEU HD21 H 1 0.832 0.010 . 2 . . . . . 127 L MD2 . 50410 1 1373 . 1 . 1 127 127 LEU HD22 H 1 0.832 0.010 . 2 . . . . . 127 L MD2 . 50410 1 1374 . 1 . 1 127 127 LEU HD23 H 1 0.832 0.010 . 2 . . . . . 127 L MD2 . 50410 1 1375 . 1 . 1 127 127 LEU C C 13 178.811 0.000 . 1 . . . . . 127 L C . 50410 1 1376 . 1 . 1 127 127 LEU CA C 13 57.566 0.110 . 1 . . . . . 127 L CA . 50410 1 1377 . 1 . 1 127 127 LEU CB C 13 41.700 0.113 . 1 . . . . . 127 L CB . 50410 1 1378 . 1 . 1 127 127 LEU CG C 13 26.865 0.000 . 1 . . . . . 127 L CG . 50410 1 1379 . 1 . 1 127 127 LEU CD1 C 13 24.972 0.191 . 2 . . . . . 127 L CD1 . 50410 1 1380 . 1 . 1 127 127 LEU CD2 C 13 23.394 0.251 . 2 . . . . . 127 L CD2 . 50410 1 1381 . 1 . 1 128 128 LEU H H 1 7.713 0.005 . 1 . . . . . 128 L H . 50410 1 1382 . 1 . 1 128 128 LEU HA H 1 4.043 0.030 . 1 . . . . . 128 L HA . 50410 1 1383 . 1 . 1 128 128 LEU HB2 H 1 1.795 0.026 . 2 . . . . . 128 L HB2 . 50410 1 1384 . 1 . 1 128 128 LEU HB3 H 1 1.572 0.013 . 2 . . . . . 128 L HB3 . 50410 1 1385 . 1 . 1 128 128 LEU HG H 1 1.978 0.001 . 1 . . . . . 128 L HG . 50410 1 1386 . 1 . 1 128 128 LEU HD11 H 1 0.867 0.014 . 2 . . . . . 128 L MD1 . 50410 1 1387 . 1 . 1 128 128 LEU HD12 H 1 0.867 0.014 . 2 . . . . . 128 L MD1 . 50410 1 1388 . 1 . 1 128 128 LEU HD13 H 1 0.867 0.014 . 2 . . . . . 128 L MD1 . 50410 1 1389 . 1 . 1 128 128 LEU HD21 H 1 0.867 0.014 . 2 . . . . . 128 L MD2 . 50410 1 1390 . 1 . 1 128 128 LEU HD22 H 1 0.867 0.014 . 2 . . . . . 128 L MD2 . 50410 1 1391 . 1 . 1 128 128 LEU HD23 H 1 0.867 0.014 . 2 . . . . . 128 L MD2 . 50410 1 1392 . 1 . 1 128 128 LEU C C 13 178.879 0.042 . 1 . . . . . 128 L C . 50410 1 1393 . 1 . 1 128 128 LEU CA C 13 57.626 0.134 . 1 . . . . . 128 L CA . 50410 1 1394 . 1 . 1 128 128 LEU CB C 13 41.829 0.094 . 1 . . . . . 128 L CB . 50410 1 1395 . 1 . 1 128 128 LEU CG C 13 27.000 0.000 . 1 . . . . . 128 L CG . 50410 1 1396 . 1 . 1 128 128 LEU CD1 C 13 24.762 0.058 . 1 . . . . . 128 L CD . 50410 1 1397 . 1 . 1 128 128 LEU CD2 C 13 24.762 0.058 . 1 . . . . . 128 L CD . 50410 1 1398 . 1 . 1 128 128 LEU N N 15 118.936 0.135 . 1 . . . . . 128 L N . 50410 1 1399 . 1 . 1 129 129 ALA H H 1 7.481 0.011 . 1 . . . . . 129 A H . 50410 1 1400 . 1 . 1 129 129 ALA HA H 1 4.112 0.011 . 1 . . . . . 129 A HA . 50410 1 1401 . 1 . 1 129 129 ALA HB1 H 1 1.526 0.026 . 1 . . . . . 129 A MB . 50410 1 1402 . 1 . 1 129 129 ALA HB2 H 1 1.526 0.026 . 1 . . . . . 129 A MB . 50410 1 1403 . 1 . 1 129 129 ALA HB3 H 1 1.526 0.026 . 1 . . . . . 129 A MB . 50410 1 1404 . 1 . 1 129 129 ALA C C 13 179.462 0.011 . 1 . . . . . 129 A C . 50410 1 1405 . 1 . 1 129 129 ALA CA C 13 54.495 0.090 . 1 . . . . . 129 A CA . 50410 1 1406 . 1 . 1 129 129 ALA CB C 13 18.129 0.119 . 1 . . . . . 129 A CB . 50410 1 1407 . 1 . 1 129 129 ALA N N 15 120.956 0.106 . 1 . . . . . 129 A N . 50410 1 1408 . 1 . 1 130 130 SER H H 1 8.029 0.066 . 1 . . . . . 130 S H . 50410 1 1409 . 1 . 1 130 130 SER HA H 1 4.825 0.000 . 1 . . . . . 130 S HA . 50410 1 1410 . 1 . 1 130 130 SER HB2 H 1 3.952 0.000 . 2 . . . . . 130 S HB2 . 50410 1 1411 . 1 . 1 130 130 SER HB3 H 1 3.784 0.000 . 2 . . . . . 130 S HB3 . 50410 1 1412 . 1 . 1 130 130 SER CA C 13 56.364 0.008 . 1 . . . . . 130 S CA . 50410 1 1413 . 1 . 1 130 130 SER CB C 13 63.581 0.002 . 1 . . . . . 130 S CB . 50410 1 1414 . 1 . 1 130 130 SER N N 15 119.239 0.190 . 1 . . . . . 130 S N . 50410 1 1415 . 1 . 1 131 131 PRO HA H 1 4.476 0.011 . 1 . . . . . 131 P HA . 50410 1 1416 . 1 . 1 131 131 PRO HB2 H 1 2.318 0.008 . 2 . . . . . 131 P HB2 . 50410 1 1417 . 1 . 1 131 131 PRO HB3 H 1 2.001 0.009 . 2 . . . . . 131 P HB3 . 50410 1 1418 . 1 . 1 131 131 PRO HG2 H 1 1.870 0.004 . 2 . . . . . 131 P HG2 . 50410 1 1419 . 1 . 1 131 131 PRO HG3 H 1 1.741 0.013 . 2 . . . . . 131 P HG3 . 50410 1 1420 . 1 . 1 131 131 PRO HD2 H 1 3.543 0.009 . 2 . . . . . 131 P HD2 . 50410 1 1421 . 1 . 1 131 131 PRO HD3 H 1 3.410 0.011 . 2 . . . . . 131 P HD3 . 50410 1 1422 . 1 . 1 131 131 PRO CA C 13 62.603 0.079 . 1 . . . . . 131 P CA . 50410 1 1423 . 1 . 1 131 131 PRO CB C 13 34.515 0.138 . 1 . . . . . 131 P CB . 50410 1 1424 . 1 . 1 131 131 PRO CG C 13 24.529 0.085 . 1 . . . . . 131 P CG . 50410 1 1425 . 1 . 1 131 131 PRO CD C 13 50.244 0.127 . 1 . . . . . 131 P CD . 50410 1 1426 . 1 . 1 132 132 GLN H H 1 7.817 0.006 . 1 . . . . . 132 Q H . 50410 1 1427 . 1 . 1 132 132 GLN HA H 1 4.043 0.008 . 1 . . . . . 132 Q HA . 50410 1 1428 . 1 . 1 132 132 GLN HB2 H 1 1.838 0.007 . 2 . . . . . 132 Q HB2 . 50410 1 1429 . 1 . 1 132 132 GLN HB3 H 1 1.838 0.007 . 2 . . . . . 132 Q HB3 . 50410 1 1430 . 1 . 1 132 132 GLN CA C 13 57.099 0.000 . 1 . . . . . 132 Q CA . 50410 1 1431 . 1 . 1 132 132 GLN CB C 13 30.221 0.035 . 1 . . . . . 132 Q CB . 50410 1 1432 . 1 . 1 132 132 GLN N N 15 119.267 0.052 . 1 . . . . . 132 Q N . 50410 1 1433 . 1 . 1 133 133 GLU H H 1 8.034 0.014 . 1 . . . . . 133 E H . 50410 1 1434 . 1 . 1 133 133 GLU HA H 1 4.101 0.008 . 1 . . . . . 133 E HA . 50410 1 1435 . 1 . 1 133 133 GLU HB2 H 1 2.034 0.000 . 2 . . . . . 133 E HB2 . 50410 1 1436 . 1 . 1 133 133 GLU HB3 H 1 2.003 0.000 . 2 . . . . . 133 E HB3 . 50410 1 1437 . 1 . 1 133 133 GLU HG2 H 1 2.290 0.013 . 2 . . . . . 133 E HG2 . 50410 1 1438 . 1 . 1 133 133 GLU HG3 H 1 2.290 0.013 . 2 . . . . . 133 E HG3 . 50410 1 1439 . 1 . 1 133 133 GLU CA C 13 57.346 0.182 . 1 . . . . . 133 E CA . 50410 1 1440 . 1 . 1 133 133 GLU CB C 13 28.579 0.970 . 1 . . . . . 133 E CB . 50410 1 1441 . 1 . 1 133 133 GLU CG C 13 33.897 0.024 . 1 . . . . . 133 E CG . 50410 1 1442 . 1 . 1 133 133 GLU N N 15 119.280 0.148 . 1 . . . . . 133 E N . 50410 1 1443 . 1 . 1 134 134 LEU H H 1 8.112 0.006 . 1 . . . . . 134 L H . 50410 1 1444 . 1 . 1 134 134 LEU HA H 1 3.699 0.012 . 1 . . . . . 134 L HA . 50410 1 1445 . 1 . 1 134 134 LEU C C 13 178.173 0.000 . 1 . . . . . 134 L C . 50410 1 1446 . 1 . 1 134 134 LEU N N 15 119.993 0.047 . 1 . . . . . 134 L N . 50410 1 1447 . 1 . 1 135 135 LEU H H 1 7.914 0.006 . 1 . . . . . 135 L H . 50410 1 1448 . 1 . 1 135 135 LEU HA H 1 4.260 0.000 . 1 . . . . . 135 L HA . 50410 1 1449 . 1 . 1 135 135 LEU HB2 H 1 1.718 0.000 . 2 . . . . . 135 L HB2 . 50410 1 1450 . 1 . 1 135 135 LEU HB3 H 1 1.505 0.000 . 2 . . . . . 135 L HB3 . 50410 1 1451 . 1 . 1 135 135 LEU N N 15 118.373 0.133 . 1 . . . . . 135 L N . 50410 1 1452 . 1 . 1 136 136 ALA H H 1 8.065 0.000 . 1 . . . . . 136 A H . 50410 1 1453 . 1 . 1 136 136 ALA HA H 1 4.502 0.009 . 1 . . . . . 136 A HA . 50410 1 1454 . 1 . 1 136 136 ALA HB1 H 1 1.218 0.006 . 1 . . . . . 136 A MB . 50410 1 1455 . 1 . 1 136 136 ALA HB2 H 1 1.218 0.006 . 1 . . . . . 136 A MB . 50410 1 1456 . 1 . 1 136 136 ALA HB3 H 1 1.218 0.006 . 1 . . . . . 136 A MB . 50410 1 1457 . 1 . 1 136 136 ALA CA C 13 51.644 0.059 . 1 . . . . . 136 A CA . 50410 1 1458 . 1 . 1 136 136 ALA CB C 13 19.790 0.157 . 1 . . . . . 136 A CB . 50410 1 1459 . 1 . 1 137 137 LEU HA H 1 4.680 0.010 . 1 . . . . . 137 L HA . 50410 1 1460 . 1 . 1 137 137 LEU HD11 H 1 0.819 0.003 . 2 . . . . . 137 L MD1 . 50410 1 1461 . 1 . 1 137 137 LEU HD12 H 1 0.819 0.003 . 2 . . . . . 137 L MD1 . 50410 1 1462 . 1 . 1 137 137 LEU HD13 H 1 0.819 0.003 . 2 . . . . . 137 L MD1 . 50410 1 1463 . 1 . 1 137 137 LEU HD21 H 1 0.739 0.000 . 2 . . . . . 137 L MD2 . 50410 1 1464 . 1 . 1 137 137 LEU HD22 H 1 0.739 0.000 . 2 . . . . . 137 L MD2 . 50410 1 1465 . 1 . 1 137 137 LEU HD23 H 1 0.739 0.000 . 2 . . . . . 137 L MD2 . 50410 1 1466 . 1 . 1 137 137 LEU CA C 13 56.229 0.124 . 1 . . . . . 137 L CA . 50410 1 1467 . 1 . 1 137 137 LEU CB C 13 41.961 0.091 . 1 . . . . . 137 L CB . 50410 1 1468 . 1 . 1 137 137 LEU CD1 C 13 24.600 0.000 . 2 . . . . . 137 L CD1 . 50410 1 1469 . 1 . 1 138 138 ARG H H 1 7.957 0.003 . 1 . . . . . 138 R H . 50410 1 1470 . 1 . 1 138 138 ARG HA H 1 4.159 0.010 . 1 . . . . . 138 R HA . 50410 1 1471 . 1 . 1 138 138 ARG HB2 H 1 1.771 0.014 . 2 . . . . . 138 R HB2 . 50410 1 1472 . 1 . 1 138 138 ARG HB3 H 1 1.771 0.014 . 2 . . . . . 138 R HB3 . 50410 1 1473 . 1 . 1 138 138 ARG HG2 H 1 1.499 0.002 . 2 . . . . . 138 R HG2 . 50410 1 1474 . 1 . 1 138 138 ARG HG3 H 1 1.499 0.002 . 2 . . . . . 138 R HG3 . 50410 1 1475 . 1 . 1 138 138 ARG HD2 H 1 3.050 0.003 . 2 . . . . . 138 R HD2 . 50410 1 1476 . 1 . 1 138 138 ARG HD3 H 1 3.050 0.003 . 2 . . . . . 138 R HD3 . 50410 1 1477 . 1 . 1 138 138 ARG CA C 13 56.368 0.053 . 1 . . . . . 138 R CA . 50410 1 1478 . 1 . 1 138 138 ARG CB C 13 30.462 0.083 . 1 . . . . . 138 R CB . 50410 1 1479 . 1 . 1 138 138 ARG CG C 13 27.082 0.036 . 1 . . . . . 138 R CG . 50410 1 1480 . 1 . 1 138 138 ARG CD C 13 43.246 0.048 . 1 . . . . . 138 R CD . 50410 1 1481 . 1 . 1 138 138 ARG N N 15 120.951 0.033 . 1 . . . . . 138 R N . 50410 1 1482 . 1 . 1 139 139 ARG HA H 1 4.168 0.005 . 1 . . . . . 139 R HA . 50410 1 1483 . 1 . 1 139 139 ARG HB2 H 1 1.680 0.001 . 2 . . . . . 139 R HB2 . 50410 1 1484 . 1 . 1 139 139 ARG HB3 H 1 1.680 0.001 . 2 . . . . . 139 R HB3 . 50410 1 1485 . 1 . 1 139 139 ARG HG2 H 1 1.546 0.004 . 2 . . . . . 139 R HG2 . 50410 1 1486 . 1 . 1 139 139 ARG HG3 H 1 1.546 0.004 . 2 . . . . . 139 R HG3 . 50410 1 1487 . 1 . 1 139 139 ARG HD2 H 1 3.089 0.001 . 2 . . . . . 139 R HD2 . 50410 1 1488 . 1 . 1 139 139 ARG HD3 H 1 3.089 0.001 . 2 . . . . . 139 R HD3 . 50410 1 1489 . 1 . 1 139 139 ARG CA C 13 56.347 0.053 . 1 . . . . . 139 R CA . 50410 1 1490 . 1 . 1 139 139 ARG CB C 13 30.576 0.141 . 1 . . . . . 139 R CB . 50410 1 1491 . 1 . 1 139 139 ARG CG C 13 27.089 0.029 . 1 . . . . . 139 R CG . 50410 1 1492 . 1 . 1 139 139 ARG CD C 13 43.255 0.067 . 1 . . . . . 139 R CD . 50410 1 1493 . 1 . 1 142 142 HIS HA H 1 4.537 0.013 . 1 . . . . . 142 H HA . 50410 1 1494 . 1 . 1 142 142 HIS HB2 H 1 3.089 0.025 . 2 . . . . . 142 H HB2 . 50410 1 1495 . 1 . 1 142 142 HIS HB3 H 1 2.984 0.009 . 2 . . . . . 142 H HB3 . 50410 1 1496 . 1 . 1 142 142 HIS C C 13 173.953 0.007 . 1 . . . . . 142 H C . 50410 1 1497 . 1 . 1 142 142 HIS CA C 13 56.060 0.064 . 1 . . . . . 142 H CA . 50410 1 1498 . 1 . 1 142 142 HIS CB C 13 30.552 0.106 . 1 . . . . . 142 H CB . 50410 1 1499 . 1 . 1 143 143 HIS H H 1 7.918 0.026 . 1 . . . . . 143 H H . 50410 1 1500 . 1 . 1 143 143 HIS HA H 1 4.381 0.013 . 1 . . . . . 143 H HA . 50410 1 1501 . 1 . 1 143 143 HIS HB2 H 1 3.136 0.017 . 2 . . . . . 143 H HB2 . 50410 1 1502 . 1 . 1 143 143 HIS HB3 H 1 3.020 0.014 . 2 . . . . . 143 H HB3 . 50410 1 1503 . 1 . 1 143 143 HIS C C 13 179.279 0.000 . 1 . . . . . 143 H C . 50410 1 1504 . 1 . 1 143 143 HIS CA C 13 57.418 0.084 . 1 . . . . . 143 H CA . 50410 1 1505 . 1 . 1 143 143 HIS CB C 13 30.641 0.045 . 1 . . . . . 143 H CB . 50410 1 1506 . 1 . 1 143 143 HIS N N 15 125.324 0.146 . 1 . . . . . 143 H N . 50410 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 50410 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name heteronucl_NOEs _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 700 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak integral' _Heteronucl_NOE_list.NOE_ref_val 0 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 22 '1H-15N heteronoe' . . . 50410 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 2 $software_2 . . 50410 1 6 $software_6 . . 50410 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 5 5 ALA N N 15 . 1 1 5 5 ALA H H 1 -0.728 -0.005 . . . . . . . . . . 50410 1 2 . 1 1 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 -0.519 -0.004 . . . . . . . . . . 50410 1 3 . 1 1 7 7 SER N N 15 . 1 1 7 7 SER H H 1 -0.001 0.001 . . . . . . . . . . 50410 1 4 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.020 0.002 . . . . . . . . . . 50410 1 5 . 1 1 10 10 ASN N N 15 . 1 1 10 10 ASN H H 1 0.190 0.005 . . . . . . . . . . 50410 1 6 . 1 1 11 11 ILE N N 15 . 1 1 11 11 ILE H H 1 0.573 0.021 . . . . . . . . . . 50410 1 7 . 1 1 12 12 GLN N N 15 . 1 1 12 12 GLN H H 1 0.462 0.004 . . . . . . . . . . 50410 1 8 . 1 1 13 13 ILE N N 15 . 1 1 13 13 ILE H H 1 0.486 0.005 . . . . . . . . . . 50410 1 9 . 1 1 14 14 LYS N N 15 . 1 1 14 14 LYS H H 1 0.587 0.008 . . . . . . . . . . 50410 1 10 . 1 1 15 15 SER N N 15 . 1 1 15 15 SER H H 1 0.702 0.007 . . . . . . . . . . 50410 1 11 . 1 1 16 16 ILE N N 15 . 1 1 16 16 ILE H H 1 0.760 0.009 . . . . . . . . . . 50410 1 12 . 1 1 17 17 ALA N N 15 . 1 1 17 17 ALA H H 1 0.803 0.009 . . . . . . . . . . 50410 1 13 . 1 1 18 18 GLY N N 15 . 1 1 18 18 GLY H H 1 0.825 0.008 . . . . . . . . . . 50410 1 14 . 1 1 19 19 ILE N N 15 . 1 1 19 19 ILE H H 1 0.843 0.047 . . . . . . . . . . 50410 1 15 . 1 1 21 21 GLU N N 15 . 1 1 21 21 GLU H H 1 0.726 0.077 . . . . . . . . . . 50410 1 16 . 1 1 23 23 THR N N 15 . 1 1 23 23 THR H H 1 0.831 0.058 . . . . . . . . . . 50410 1 17 . 1 1 24 24 ILE N N 15 . 1 1 24 24 ILE H H 1 0.853 0.071 . . . . . . . . . . 50410 1 18 . 1 1 25 25 LEU N N 15 . 1 1 25 25 LEU H H 1 0.825 0.082 . . . . . . . . . . 50410 1 19 . 1 1 26 26 GLN N N 15 . 1 1 26 26 GLN H H 1 0.864 0.078 . . . . . . . . . . 50410 1 20 . 1 1 27 27 TYR N N 15 . 1 1 27 27 TYR H H 1 0.891 0.065 . . . . . . . . . . 50410 1 21 . 1 1 28 28 PHE N N 15 . 1 1 28 28 PHE H H 1 0.845 0.082 . . . . . . . . . . 50410 1 22 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.871 0.067 . . . . . . . . . . 50410 1 23 . 1 1 31 31 LEU N N 15 . 1 1 31 31 LEU H H 1 0.871 0.085 . . . . . . . . . . 50410 1 24 . 1 1 32 32 ASN N N 15 . 1 1 32 32 ASN H H 1 0.761 0.062 . . . . . . . . . . 50410 1 25 . 1 1 33 33 ALA N N 15 . 1 1 33 33 ALA H H 1 0.832 0.058 . . . . . . . . . . 50410 1 26 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 0.866 0.059 . . . . . . . . . . 50410 1 27 . 1 1 35 35 GLU N N 15 . 1 1 35 35 GLU H H 1 0.850 0.065 . . . . . . . . . . 50410 1 28 . 1 1 36 36 PHE N N 15 . 1 1 36 36 PHE H H 1 0.900 0.075 . . . . . . . . . . 50410 1 29 . 1 1 37 37 ALA N N 15 . 1 1 37 37 ALA H H 1 0.833 0.057 . . . . . . . . . . 50410 1 30 . 1 1 38 38 ALA N N 15 . 1 1 38 38 ALA H H 1 0.841 0.044 . . . . . . . . . . 50410 1 31 . 1 1 39 39 THR N N 15 . 1 1 39 39 THR H H 1 0.913 0.020 . . . . . . . . . . 50410 1 32 . 1 1 41 41 ALA N N 15 . 1 1 41 41 ALA H H 1 0.855 0.046 . . . . . . . . . . 50410 1 33 . 1 1 42 42 LEU N N 15 . 1 1 42 42 LEU H H 1 0.863 0.064 . . . . . . . . . . 50410 1 34 . 1 1 43 43 PHE N N 15 . 1 1 43 43 PHE H H 1 0.861 0.058 . . . . . . . . . . 50410 1 35 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.791 0.059 . . . . . . . . . . 50410 1 36 . 1 1 45 45 VAL N N 15 . 1 1 45 45 VAL H H 1 0.853 0.067 . . . . . . . . . . 50410 1 37 . 1 1 47 47 GLY N N 15 . 1 1 47 47 GLY H H 1 0.884 0.081 . . . . . . . . . . 50410 1 38 . 1 1 48 48 VAL N N 15 . 1 1 48 48 VAL H H 1 0.887 0.008 . . . . . . . . . . 50410 1 39 . 1 1 49 49 MET N N 15 . 1 1 49 49 MET H H 1 0.892 0.009 . . . . . . . . . . 50410 1 40 . 1 1 50 50 TYR N N 15 . 1 1 50 50 TYR H H 1 0.776 0.037 . . . . . . . . . . 50410 1 41 . 1 1 54 54 GLU N N 15 . 1 1 54 54 GLU H H 1 0.717 0.013 . . . . . . . . . . 50410 1 42 . 1 1 55 55 SER N N 15 . 1 1 55 55 SER H H 1 0.706 0.010 . . . . . . . . . . 50410 1 43 . 1 1 56 56 GLY N N 15 . 1 1 56 56 GLY H H 1 0.812 0.011 . . . . . . . . . . 50410 1 44 . 1 1 57 57 ILE N N 15 . 1 1 57 57 ILE H H 1 0.843 0.016 . . . . . . . . . . 50410 1 45 . 1 1 58 58 VAL N N 15 . 1 1 58 58 VAL H H 1 0.882 0.006 . . . . . . . . . . 50410 1 46 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.793 0.009 . . . . . . . . . . 50410 1 47 . 1 1 61 61 ASP N N 15 . 1 1 61 61 ASP H H 1 0.830 0.004 . . . . . . . . . . 50410 1 48 . 1 1 62 62 ALA N N 15 . 1 1 62 62 ALA H H 1 0.871 0.005 . . . . . . . . . . 50410 1 49 . 1 1 64 64 ALA N N 15 . 1 1 64 64 ALA H H 1 0.845 0.007 . . . . . . . . . . 50410 1 50 . 1 1 65 65 ALA N N 15 . 1 1 65 65 ALA H H 1 0.850 0.005 . . . . . . . . . . 50410 1 51 . 1 1 66 66 TYR N N 15 . 1 1 66 66 TYR H H 1 0.868 0.008 . . . . . . . . . . 50410 1 52 . 1 1 67 67 LEU N N 15 . 1 1 67 67 LEU H H 1 0.844 0.012 . . . . . . . . . . 50410 1 53 . 1 1 68 68 GLN N N 15 . 1 1 68 68 GLN H H 1 0.900 0.018 . . . . . . . . . . 50410 1 54 . 1 1 69 69 GLN N N 15 . 1 1 69 69 GLN H H 1 0.826 0.009 . . . . . . . . . . 50410 1 55 . 1 1 70 70 GLU N N 15 . 1 1 70 70 GLU H H 1 0.822 0.029 . . . . . . . . . . 50410 1 56 . 1 1 71 71 ALA N N 15 . 1 1 71 71 ALA H H 1 0.599 0.026 . . . . . . . . . . 50410 1 57 . 1 1 72 72 GLN N N 15 . 1 1 72 72 GLN H H 1 0.573 0.021 . . . . . . . . . . 50410 1 58 . 1 1 73 73 GLY N N 15 . 1 1 73 73 GLY H H 1 0.756 0.015 . . . . . . . . . . 50410 1 59 . 1 1 74 74 ILE N N 15 . 1 1 74 74 ILE H H 1 0.794 0.019 . . . . . . . . . . 50410 1 60 . 1 1 75 75 LYS N N 15 . 1 1 75 75 LYS H H 1 0.746 0.020 . . . . . . . . . . 50410 1 61 . 1 1 77 77 GLU N N 15 . 1 1 77 77 GLU H H 1 0.806 0.031 . . . . . . . . . . 50410 1 62 . 1 1 79 79 GLN N N 15 . 1 1 79 79 GLN H H 1 0.843 0.014 . . . . . . . . . . 50410 1 63 . 1 1 80 80 GLN N N 15 . 1 1 80 80 GLN H H 1 0.837 0.009 . . . . . . . . . . 50410 1 64 . 1 1 81 81 GLY N N 15 . 1 1 81 81 GLY H H 1 0.776 0.014 . . . . . . . . . . 50410 1 65 . 1 1 82 82 LEU N N 15 . 1 1 82 82 LEU H H 1 0.794 0.008 . . . . . . . . . . 50410 1 66 . 1 1 83 83 ALA N N 15 . 1 1 83 83 ALA H H 1 0.783 0.012 . . . . . . . . . . 50410 1 67 . 1 1 84 84 GLU N N 15 . 1 1 84 84 GLU H H 1 0.776 0.005 . . . . . . . . . . 50410 1 68 . 1 1 85 85 THR N N 15 . 1 1 85 85 THR H H 1 0.737 0.007 . . . . . . . . . . 50410 1 69 . 1 1 86 86 SER N N 15 . 1 1 86 86 SER H H 1 0.649 0.004 . . . . . . . . . . 50410 1 70 . 1 1 87 87 GLU N N 15 . 1 1 87 87 GLU H H 1 0.588 0.010 . . . . . . . . . . 50410 1 71 . 1 1 89 89 GLY N N 15 . 1 1 89 89 GLY H H 1 0.718 0.004 . . . . . . . . . . 50410 1 72 . 1 1 90 90 HIS N N 15 . 1 1 90 90 HIS H H 1 0.660 0.004 . . . . . . . . . . 50410 1 73 . 1 1 91 91 THR N N 15 . 1 1 91 91 THR H H 1 0.745 0.005 . . . . . . . . . . 50410 1 74 . 1 1 92 92 GLN N N 15 . 1 1 92 92 GLN H H 1 0.825 0.005 . . . . . . . . . . 50410 1 75 . 1 1 93 93 VAL N N 15 . 1 1 93 93 VAL H H 1 0.832 0.006 . . . . . . . . . . 50410 1 76 . 1 1 94 94 GLN N N 15 . 1 1 94 94 GLN H H 1 0.815 0.008 . . . . . . . . . . 50410 1 77 . 1 1 95 95 VAL N N 15 . 1 1 95 95 VAL H H 1 0.845 0.011 . . . . . . . . . . 50410 1 78 . 1 1 96 96 SER N N 15 . 1 1 96 96 SER H H 1 0.860 0.014 . . . . . . . . . . 50410 1 79 . 1 1 97 97 GLY N N 15 . 1 1 97 97 GLY H H 1 0.772 0.018 . . . . . . . . . . 50410 1 80 . 1 1 99 99 ALA N N 15 . 1 1 99 99 ALA H H 1 0.781 0.031 . . . . . . . . . . 50410 1 81 . 1 1 100 100 GLN N N 15 . 1 1 100 100 GLN H H 1 0.891 0.024 . . . . . . . . . . 50410 1 82 . 1 1 101 101 THR N N 15 . 1 1 101 101 THR H H 1 0.797 0.020 . . . . . . . . . . 50410 1 83 . 1 1 106 106 VAL N N 15 . 1 1 106 106 VAL H H 1 0.844 0.035 . . . . . . . . . . 50410 1 84 . 1 1 107 107 ASN N N 15 . 1 1 107 107 ASN H H 1 0.765 0.021 . . . . . . . . . . 50410 1 85 . 1 1 108 108 VAL N N 15 . 1 1 108 108 VAL H H 1 0.769 0.107 . . . . . . . . . . 50410 1 86 . 1 1 110 110 TRP N N 15 . 1 1 110 110 TRP H H 1 0.835 0.014 . . . . . . . . . . 50410 1 87 . 1 1 111 111 LEU N N 15 . 1 1 111 111 LEU H H 1 0.872 0.013 . . . . . . . . . . 50410 1 88 . 1 1 112 112 PHE N N 15 . 1 1 112 112 PHE H H 1 0.851 0.010 . . . . . . . . . . 50410 1 89 . 1 1 113 113 THR N N 15 . 1 1 113 113 THR H H 1 0.851 0.008 . . . . . . . . . . 50410 1 90 . 1 1 114 114 LEU N N 15 . 1 1 114 114 LEU H H 1 0.852 0.007 . . . . . . . . . . 50410 1 91 . 1 1 115 115 ASN N N 15 . 1 1 115 115 ASN H H 1 0.850 0.017 . . . . . . . . . . 50410 1 92 . 1 1 117 117 GLU N N 15 . 1 1 117 117 GLU H H 1 0.792 0.004 . . . . . . . . . . 50410 1 93 . 1 1 118 118 LYS N N 15 . 1 1 118 118 LYS H H 1 0.862 0.005 . . . . . . . . . . 50410 1 94 . 1 1 119 119 GLN N N 15 . 1 1 119 119 GLN H H 1 0.854 0.005 . . . . . . . . . . 50410 1 95 . 1 1 120 120 ILE N N 15 . 1 1 120 120 ILE H H 1 0.864 0.008 . . . . . . . . . . 50410 1 96 . 1 1 121 121 ILE N N 15 . 1 1 121 121 ILE H H 1 0.907 0.014 . . . . . . . . . . 50410 1 97 . 1 1 122 122 HIS N N 15 . 1 1 122 122 HIS H H 1 0.827 0.012 . . . . . . . . . . 50410 1 98 . 1 1 123 123 THR N N 15 . 1 1 123 123 THR H H 1 0.563 0.027 . . . . . . . . . . 50410 1 99 . 1 1 124 124 GLN N N 15 . 1 1 124 124 GLN H H 1 0.772 0.009 . . . . . . . . . . 50410 1 100 . 1 1 125 125 ILE N N 15 . 1 1 125 125 ILE H H 1 0.803 0.029 . . . . . . . . . . 50410 1 101 . 1 1 126 126 LYS N N 15 . 1 1 126 126 LYS H H 1 0.735 0.029 . . . . . . . . . . 50410 1 102 . 1 1 128 128 LEU N N 15 . 1 1 128 128 LEU H H 1 0.712 0.008 . . . . . . . . . . 50410 1 103 . 1 1 129 129 ALA N N 15 . 1 1 129 129 ALA H H 1 0.750 0.006 . . . . . . . . . . 50410 1 104 . 1 1 130 130 SER N N 15 . 1 1 130 130 SER H H 1 0.751 0.017 . . . . . . . . . . 50410 1 105 . 1 1 132 132 GLN N N 15 . 1 1 132 132 GLN H H 1 0.756 0.016 . . . . . . . . . . 50410 1 106 . 1 1 133 133 GLU N N 15 . 1 1 133 133 GLU H H 1 0.646 0.065 . . . . . . . . . . 50410 1 107 . 1 1 134 134 LEU N N 15 . 1 1 134 134 LEU H H 1 0.568 0.014 . . . . . . . . . . 50410 1 108 . 1 1 135 135 LEU N N 15 . 1 1 135 135 LEU H H 1 0.582 0.016 . . . . . . . . . . 50410 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 50410 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name heteronucl_T1_relaxation _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 700 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details 'The table contains R1 values' _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 23 'T1/R1 relaxation' . . . 50410 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 2 $software_2 . . 50410 1 6 $software_6 . . 50410 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 5 5 ALA N N 15 1.239 0.035 . . . . . 50410 1 2 . 1 1 6 6 GLU N N 15 1.316 0.028 . . . . . 50410 1 3 . 1 1 7 7 SER N N 15 1.338 0.031 . . . . . 50410 1 4 . 1 1 8 8 LEU N N 15 1.371 0.047 . . . . . 50410 1 5 . 1 1 10 10 ASN N N 15 1.411 0.073 . . . . . 50410 1 6 . 1 1 11 11 ILE N N 15 1.375 0.041 . . . . . 50410 1 7 . 1 1 12 12 GLN N N 15 1.362 0.044 . . . . . 50410 1 8 . 1 1 13 13 ILE N N 15 1.307 0.039 . . . . . 50410 1 9 . 1 1 14 14 LYS N N 15 1.333 0.047 . . . . . 50410 1 10 . 1 1 15 15 SER N N 15 1.264 0.050 . . . . . 50410 1 11 . 1 1 16 16 ILE N N 15 1.142 0.048 . . . . . 50410 1 12 . 1 1 17 17 ALA N N 15 1.171 0.039 . . . . . 50410 1 13 . 1 1 18 18 GLY N N 15 1.242 0.031 . . . . . 50410 1 14 . 1 1 19 19 ILE N N 15 1.248 0.047 . . . . . 50410 1 15 . 1 1 21 21 GLU N N 15 1.208 0.035 . . . . . 50410 1 16 . 1 1 23 23 THR N N 15 1.268 0.029 . . . . . 50410 1 17 . 1 1 24 24 ILE N N 15 1.168 0.030 . . . . . 50410 1 18 . 1 1 25 25 LEU N N 15 1.150 0.022 . . . . . 50410 1 19 . 1 1 26 26 GLN N N 15 1.181 0.022 . . . . . 50410 1 20 . 1 1 27 27 TYR N N 15 1.182 0.015 . . . . . 50410 1 21 . 1 1 28 28 PHE N N 15 1.175 0.023 . . . . . 50410 1 22 . 1 1 30 30 THR N N 15 1.169 0.014 . . . . . 50410 1 23 . 1 1 31 31 LEU N N 15 1.200 0.017 . . . . . 50410 1 24 . 1 1 32 32 ASN N N 15 1.170 0.028 . . . . . 50410 1 25 . 1 1 33 33 ALA N N 15 1.168 0.011 . . . . . 50410 1 26 . 1 1 34 34 GLY N N 15 1.236 0.010 . . . . . 50410 1 27 . 1 1 35 35 GLU N N 15 1.192 0.010 . . . . . 50410 1 28 . 1 1 36 36 PHE N N 15 1.108 0.013 . . . . . 50410 1 29 . 1 1 37 37 ALA N N 15 1.264 0.027 . . . . . 50410 1 30 . 1 1 38 38 ALA N N 15 1.130 0.012 . . . . . 50410 1 31 . 1 1 39 39 THR N N 15 1.115 0.013 . . . . . 50410 1 32 . 1 1 41 41 ALA N N 15 1.194 0.007 . . . . . 50410 1 33 . 1 1 42 42 LEU N N 15 1.147 0.019 . . . . . 50410 1 34 . 1 1 43 43 PHE N N 15 1.237 0.015 . . . . . 50410 1 35 . 1 1 44 44 ALA N N 15 1.231 0.030 . . . . . 50410 1 36 . 1 1 45 45 VAL N N 15 1.101 0.013 . . . . . 50410 1 37 . 1 1 47 47 GLY N N 15 1.232 0.015 . . . . . 50410 1 38 . 1 1 48 48 VAL N N 15 1.191 0.025 . . . . . 50410 1 39 . 1 1 49 49 MET N N 15 1.239 0.020 . . . . . 50410 1 40 . 1 1 50 50 TYR N N 15 1.260 0.061 . . . . . 50410 1 41 . 1 1 54 54 GLU N N 15 1.114 0.041 . . . . . 50410 1 42 . 1 1 55 55 SER N N 15 1.174 0.033 . . . . . 50410 1 43 . 1 1 56 56 GLY N N 15 1.139 0.038 . . . . . 50410 1 44 . 1 1 57 57 ILE N N 15 1.287 0.033 . . . . . 50410 1 45 . 1 1 58 58 VAL N N 15 1.140 0.009 . . . . . 50410 1 46 . 1 1 59 59 GLY N N 15 1.179 0.010 . . . . . 50410 1 47 . 1 1 61 61 ASP N N 15 1.168 0.014 . . . . . 50410 1 48 . 1 1 62 62 ALA N N 15 1.149 0.008 . . . . . 50410 1 49 . 1 1 64 64 ALA N N 15 1.221 0.011 . . . . . 50410 1 50 . 1 1 65 65 ALA N N 15 1.195 0.007 . . . . . 50410 1 51 . 1 1 66 66 TYR N N 15 1.174 0.016 . . . . . 50410 1 52 . 1 1 67 67 LEU N N 15 1.210 0.020 . . . . . 50410 1 53 . 1 1 68 68 GLN N N 15 1.201 0.023 . . . . . 50410 1 54 . 1 1 69 69 GLN N N 15 1.174 0.016 . . . . . 50410 1 55 . 1 1 70 70 GLU N N 15 1.223 0.035 . . . . . 50410 1 56 . 1 1 71 71 ALA N N 15 1.064 0.053 . . . . . 50410 1 57 . 1 1 72 72 GLN N N 15 1.318 0.048 . . . . . 50410 1 58 . 1 1 73 73 GLY N N 15 1.327 0.080 . . . . . 50410 1 59 . 1 1 74 74 ILE N N 15 1.454 0.065 . . . . . 50410 1 60 . 1 1 75 75 LYS N N 15 1.447 0.050 . . . . . 50410 1 61 . 1 1 77 77 GLU N N 15 1.141 0.053 . . . . . 50410 1 62 . 1 1 79 79 GLN N N 15 1.119 0.025 . . . . . 50410 1 63 . 1 1 80 80 GLN N N 15 1.107 0.020 . . . . . 50410 1 64 . 1 1 81 81 GLY N N 15 1.179 0.026 . . . . . 50410 1 65 . 1 1 82 82 LEU N N 15 1.167 0.018 . . . . . 50410 1 66 . 1 1 83 83 ALA N N 15 1.141 0.022 . . . . . 50410 1 67 . 1 1 84 84 GLU N N 15 1.108 0.024 . . . . . 50410 1 68 . 1 1 85 85 THR N N 15 1.227 0.044 . . . . . 50410 1 69 . 1 1 86 86 SER N N 15 1.327 0.039 . . . . . 50410 1 70 . 1 1 87 87 GLU N N 15 1.325 0.042 . . . . . 50410 1 71 . 1 1 89 89 GLY N N 15 1.347 0.043 . . . . . 50410 1 72 . 1 1 90 90 HIS N N 15 1.369 0.046 . . . . . 50410 1 73 . 1 1 91 91 THR N N 15 1.249 0.032 . . . . . 50410 1 74 . 1 1 92 92 GLN N N 15 1.141 0.039 . . . . . 50410 1 75 . 1 1 93 93 VAL N N 15 1.167 0.027 . . . . . 50410 1 76 . 1 1 94 94 GLN N N 15 1.194 0.015 . . . . . 50410 1 77 . 1 1 95 95 VAL N N 15 1.110 0.017 . . . . . 50410 1 78 . 1 1 96 96 SER N N 15 1.173 0.024 . . . . . 50410 1 79 . 1 1 97 97 GLY N N 15 1.187 0.026 . . . . . 50410 1 80 . 1 1 99 99 ALA N N 15 1.207 0.053 . . . . . 50410 1 81 . 1 1 100 100 GLN N N 15 1.150 0.034 . . . . . 50410 1 82 . 1 1 101 101 THR N N 15 1.352 0.033 . . . . . 50410 1 83 . 1 1 106 106 VAL N N 15 1.176 0.039 . . . . . 50410 1 84 . 1 1 107 107 ASN N N 15 1.141 0.044 . . . . . 50410 1 85 . 1 1 108 108 VAL N N 15 1.267 0.044 . . . . . 50410 1 86 . 1 1 110 110 TRP N N 15 1.180 0.030 . . . . . 50410 1 87 . 1 1 111 111 LEU N N 15 1.165 0.034 . . . . . 50410 1 88 . 1 1 112 112 PHE N N 15 1.184 0.022 . . . . . 50410 1 89 . 1 1 113 113 THR N N 15 1.124 0.043 . . . . . 50410 1 90 . 1 1 114 114 LEU N N 15 1.229 0.047 . . . . . 50410 1 91 . 1 1 115 115 ASN N N 15 1.172 0.038 . . . . . 50410 1 92 . 1 1 117 117 GLU N N 15 1.113 0.042 . . . . . 50410 1 93 . 1 1 118 118 LYS N N 15 1.225 0.046 . . . . . 50410 1 94 . 1 1 119 119 GLN N N 15 1.187 0.036 . . . . . 50410 1 95 . 1 1 120 120 ILE N N 15 1.196 0.026 . . . . . 50410 1 96 . 1 1 121 121 ILE N N 15 1.277 0.037 . . . . . 50410 1 97 . 1 1 122 122 HIS N N 15 1.243 0.034 . . . . . 50410 1 98 . 1 1 123 123 THR N N 15 1.503 0.057 . . . . . 50410 1 99 . 1 1 124 124 GLN N N 15 1.347 0.032 . . . . . 50410 1 100 . 1 1 125 125 ILE N N 15 1.229 0.043 . . . . . 50410 1 101 . 1 1 126 126 LYS N N 15 1.111 0.044 . . . . . 50410 1 102 . 1 1 128 128 LEU N N 15 1.279 0.033 . . . . . 50410 1 103 . 1 1 129 129 ALA N N 15 1.264 0.035 . . . . . 50410 1 104 . 1 1 130 130 SER N N 15 1.489 0.034 . . . . . 50410 1 105 . 1 1 132 132 GLN N N 15 1.518 0.033 . . . . . 50410 1 106 . 1 1 133 133 GLU N N 15 1.398 0.063 . . . . . 50410 1 107 . 1 1 134 134 LEU N N 15 1.468 0.042 . . . . . 50410 1 108 . 1 1 135 135 LEU N N 15 1.349 0.060 . . . . . 50410 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 50410 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name heteronucl_T2_relaxation _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'no temperature control applied' _Heteronucl_T2_list.Spectrometer_frequency_1H 700 _Heteronucl_T2_list.T2_coherence_type I(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'The table contains R1 values' _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 24 'T2/R2 relaxation' . . . 50410 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 2 $software_2 . . 50410 1 6 $software_6 . . 50410 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 5 5 ALA N N 15 5.546 0.283 . . . . . . . 50410 1 2 . 1 1 6 6 GLU N N 15 5.814 0.282 . . . . . . . 50410 1 3 . 1 1 7 7 SER N N 15 6.692 0.315 . . . . . . . 50410 1 4 . 1 1 8 8 LEU N N 15 7.020 0.303 . . . . . . . 50410 1 5 . 1 1 10 10 ASN N N 15 8.412 0.338 . . . . . . . 50410 1 6 . 1 1 11 11 ILE N N 15 8.062 0.474 . . . . . . . 50410 1 7 . 1 1 12 12 GLN N N 15 10.822 0.572 . . . . . . . 50410 1 8 . 1 1 13 13 ILE N N 15 10.289 0.525 . . . . . . . 50410 1 9 . 1 1 14 14 LYS N N 15 12.580 0.423 . . . . . . . 50410 1 10 . 1 1 15 15 SER N N 15 13.087 0.528 . . . . . . . 50410 1 11 . 1 1 16 16 ILE N N 15 13.728 0.471 . . . . . . . 50410 1 12 . 1 1 17 17 ALA N N 15 15.080 0.449 . . . . . . . 50410 1 13 . 1 1 18 18 GLY N N 15 14.039 0.793 . . . . . . . 50410 1 14 . 1 1 19 19 ILE N N 15 16.375 0.531 . . . . . . . 50410 1 15 . 1 1 21 21 GLU N N 15 12.948 0.665 . . . . . . . 50410 1 16 . 1 1 23 23 THR N N 15 14.831 0.798 . . . . . . . 50410 1 17 . 1 1 24 24 ILE N N 15 17.572 0.341 . . . . . . . 50410 1 18 . 1 1 25 25 LEU N N 15 18.427 0.390 . . . . . . . 50410 1 19 . 1 1 26 26 GLN N N 15 17.297 0.252 . . . . . . . 50410 1 20 . 1 1 27 27 TYR N N 15 19.697 0.726 . . . . . . . 50410 1 21 . 1 1 28 28 PHE N N 15 16.581 0.233 . . . . . . . 50410 1 22 . 1 1 30 30 THR N N 15 16.694 0.159 . . . . . . . 50410 1 23 . 1 1 31 31 LEU N N 15 17.370 0.392 . . . . . . . 50410 1 24 . 1 1 32 32 ASN N N 15 14.998 0.305 . . . . . . . 50410 1 25 . 1 1 33 33 ALA N N 15 17.462 0.132 . . . . . . . 50410 1 26 . 1 1 34 34 GLY N N 15 16.851 0.148 . . . . . . . 50410 1 27 . 1 1 35 35 GLU N N 15 15.236 0.167 . . . . . . . 50410 1 28 . 1 1 36 36 PHE N N 15 16.576 0.197 . . . . . . . 50410 1 29 . 1 1 37 37 ALA N N 15 16.585 0.356 . . . . . . . 50410 1 30 . 1 1 38 38 ALA N N 15 15.883 0.111 . . . . . . . 50410 1 31 . 1 1 39 39 THR N N 15 16.862 0.139 . . . . . . . 50410 1 32 . 1 1 41 41 ALA N N 15 17.392 0.207 . . . . . . . 50410 1 33 . 1 1 42 42 LEU N N 15 17.569 0.244 . . . . . . . 50410 1 34 . 1 1 43 43 PHE N N 15 17.437 0.361 . . . . . . . 50410 1 35 . 1 1 44 44 ALA N N 15 16.002 0.260 . . . . . . . 50410 1 36 . 1 1 45 45 VAL N N 15 20.136 0.199 . . . . . . . 50410 1 37 . 1 1 47 47 GLY N N 15 17.416 0.250 . . . . . . . 50410 1 38 . 1 1 48 48 VAL N N 15 18.078 0.262 . . . . . . . 50410 1 39 . 1 1 49 49 MET N N 15 17.145 0.310 . . . . . . . 50410 1 40 . 1 1 50 50 TYR N N 15 19.609 1.172 . . . . . . . 50410 1 41 . 1 1 54 54 GLU N N 15 19.156 0.535 . . . . . . . 50410 1 42 . 1 1 55 55 SER N N 15 17.196 0.837 . . . . . . . 50410 1 43 . 1 1 56 56 GLY N N 15 18.680 0.312 . . . . . . . 50410 1 44 . 1 1 57 57 ILE N N 15 22.328 0.385 . . . . . . . 50410 1 45 . 1 1 58 58 VAL N N 15 17.510 0.250 . . . . . . . 50410 1 46 . 1 1 59 59 GLY N N 15 16.502 0.261 . . . . . . . 50410 1 47 . 1 1 61 61 ASP N N 15 15.508 0.306 . . . . . . . 50410 1 48 . 1 1 62 62 ALA N N 15 16.406 0.138 . . . . . . . 50410 1 49 . 1 1 64 64 ALA N N 15 17.301 0.164 . . . . . . . 50410 1 50 . 1 1 65 65 ALA N N 15 17.248 0.107 . . . . . . . 50410 1 51 . 1 1 66 66 TYR N N 15 17.757 0.185 . . . . . . . 50410 1 52 . 1 1 67 67 LEU N N 15 20.226 0.371 . . . . . . . 50410 1 53 . 1 1 68 68 GLN N N 15 17.552 0.340 . . . . . . . 50410 1 54 . 1 1 69 69 GLN N N 15 17.668 0.262 . . . . . . . 50410 1 55 . 1 1 70 70 GLU N N 15 27.524 1.177 . . . . . . . 50410 1 56 . 1 1 71 71 ALA N N 15 13.274 0.866 . . . . . . . 50410 1 57 . 1 1 72 72 GLN N N 15 19.671 1.152 . . . . . . . 50410 1 58 . 1 1 73 73 GLY N N 15 17.950 0.795 . . . . . . . 50410 1 59 . 1 1 74 74 ILE N N 15 21.614 1.172 . . . . . . . 50410 1 60 . 1 1 75 75 LYS N N 15 14.717 1.386 . . . . . . . 50410 1 61 . 1 1 77 77 GLU N N 15 17.717 0.953 . . . . . . . 50410 1 62 . 1 1 79 79 GLN N N 15 19.521 0.468 . . . . . . . 50410 1 63 . 1 1 80 80 GLN N N 15 16.626 0.296 . . . . . . . 50410 1 64 . 1 1 81 81 GLY N N 15 27.104 0.492 . . . . . . . 50410 1 65 . 1 1 82 82 LEU N N 15 27.655 0.445 . . . . . . . 50410 1 66 . 1 1 83 83 ALA N N 15 27.297 0.419 . . . . . . . 50410 1 67 . 1 1 84 84 GLU N N 15 14.308 0.282 . . . . . . . 50410 1 68 . 1 1 85 85 THR N N 15 13.749 0.959 . . . . . . . 50410 1 69 . 1 1 86 86 SER N N 15 12.439 0.650 . . . . . . . 50410 1 70 . 1 1 87 87 GLU N N 15 14.216 0.839 . . . . . . . 50410 1 71 . 1 1 89 89 GLY N N 15 12.779 0.822 . . . . . . . 50410 1 72 . 1 1 90 90 HIS N N 15 13.661 0.998 . . . . . . . 50410 1 73 . 1 1 91 91 THR N N 15 13.303 0.723 . . . . . . . 50410 1 74 . 1 1 92 92 GLN N N 15 15.827 0.264 . . . . . . . 50410 1 75 . 1 1 93 93 VAL N N 15 15.185 0.364 . . . . . . . 50410 1 76 . 1 1 94 94 GLN N N 15 18.293 0.143 . . . . . . . 50410 1 77 . 1 1 95 95 VAL N N 15 17.218 0.235 . . . . . . . 50410 1 78 . 1 1 96 96 SER N N 15 16.910 0.243 . . . . . . . 50410 1 79 . 1 1 97 97 GLY N N 15 20.553 0.474 . . . . . . . 50410 1 80 . 1 1 99 99 ALA N N 15 27.198 1.113 . . . . . . . 50410 1 81 . 1 1 100 100 GLN N N 15 21.604 0.597 . . . . . . . 50410 1 82 . 1 1 101 101 THR N N 15 16.295 0.675 . . . . . . . 50410 1 83 . 1 1 106 106 VAL N N 15 17.830 0.601 . . . . . . . 50410 1 84 . 1 1 107 107 ASN N N 15 18.900 0.681 . . . . . . . 50410 1 85 . 1 1 108 108 VAL N N 15 26.288 1.209 . . . . . . . 50410 1 86 . 1 1 110 110 TRP N N 15 18.617 0.490 . . . . . . . 50410 1 87 . 1 1 111 111 LEU N N 15 16.981 0.435 . . . . . . . 50410 1 88 . 1 1 112 112 PHE N N 15 16.202 0.342 . . . . . . . 50410 1 89 . 1 1 113 113 THR N N 15 14.765 0.425 . . . . . . . 50410 1 90 . 1 1 114 114 LEU N N 15 16.325 0.365 . . . . . . . 50410 1 91 . 1 1 115 115 ASN N N 15 15.309 0.533 . . . . . . . 50410 1 92 . 1 1 117 117 GLU N N 15 14.232 0.552 . . . . . . . 50410 1 93 . 1 1 118 118 LYS N N 15 14.456 0.484 . . . . . . . 50410 1 94 . 1 1 119 119 GLN N N 15 16.853 0.556 . . . . . . . 50410 1 95 . 1 1 120 120 ILE N N 15 15.789 0.217 . . . . . . . 50410 1 96 . 1 1 121 121 ILE N N 15 18.780 0.362 . . . . . . . 50410 1 97 . 1 1 122 122 HIS N N 15 27.758 0.557 . . . . . . . 50410 1 98 . 1 1 123 123 THR N N 15 18.558 1.535 . . . . . . . 50410 1 99 . 1 1 124 124 GLN N N 15 14.841 0.700 . . . . . . . 50410 1 100 . 1 1 125 125 ILE N N 15 44.887 2.280 . . . . . . . 50410 1 101 . 1 1 126 126 LYS N N 15 26.270 1.121 . . . . . . . 50410 1 102 . 1 1 128 128 LEU N N 15 16.399 0.515 . . . . . . . 50410 1 103 . 1 1 129 129 ALA N N 15 15.219 0.373 . . . . . . . 50410 1 104 . 1 1 130 130 SER N N 15 14.705 0.896 . . . . . . . 50410 1 105 . 1 1 132 132 GLN N N 15 15.502 1.062 . . . . . . . 50410 1 106 . 1 1 133 133 GLU N N 15 16.257 1.288 . . . . . . . 50410 1 107 . 1 1 134 134 LEU N N 15 17.171 1.074 . . . . . . . 50410 1 108 . 1 1 135 135 LEU N N 15 17.471 0.973 . . . . . . . 50410 1 stop_ save_