data_34766 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34766 _Entry.Title ; NMR solution structure of the N-terminal RRM and flanking linker regions of Polypyrimidine tract binding protein 1 using the CYANA CONSENSUS method. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-10-27 _Entry.Accession_date 2022-10-27 _Entry.Last_release_date 2022-12-01 _Entry.Original_release_date 2022-12-01 _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 NMR' _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 F. Damberger F. D. . . 34766 2 I. Beusch I. . . . 34766 3 F. Allain F. H. . . 34766 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'RNA BINDING PROTEIN' . 34766 'RNA BINDING PROTEIN Alternative splicing repressor IRES trans-acting factor RNA recognition motif Dynamic structure' . 34766 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34766 spectral_peak_list 1 34766 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 514 34766 '15N chemical shifts' 134 34766 '1H chemical shifts' 849 34766 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-10-31 . original BMRB . 34766 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8BGF 'BMRB Entry Tracking System' 34766 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34766 _Citation.ID 1 _Citation.Name . _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32170319 _Citation.DOI 10.1093/nar/gkaa155 _Citation.Full_citation . _Citation.Title ; A transient alpha-helix in the N-terminal RNA recognition motif of polypyrimidine tract binding protein senses RNA secondary structure. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full . _Citation.Journal_volume 48 _Citation.Journal_issue . _Citation.Journal_ASTM NARHAD _Citation.Journal_ISSN 1362-4962 _Citation.Journal_CSD 0389 _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 4521 _Citation.Page_last 4537 _Citation.Year 2020 _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 C. Maris C. . . . 34766 1 2 S. Jayne S. . . . 34766 1 3 F. Damberger F. F. . . 34766 1 4 I. Beusch I. . . . 34766 1 5 G. Dorn G. . . . 34766 1 6 S. Ravindranathan S. . . . 34766 1 7 F. Allain F. H. . . 34766 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 34766 _Citation.ID 2 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; N-terminal domain of Polypyrimidine-tract binding protein is a dynamic folding platform for adaptive RNA recognition ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. Damberger F. . . . 34766 2 2 M. Krepl M. . . . 34766 2 3 I. Beusch I. . . . 34766 2 4 G. Dorn G. . . . 34766 2 5 C. Maris C. . . . 34766 2 6 J. Sponer J. . . . 34766 2 7 S. Ravindranathan S. . . . 34766 2 8 F. Allain F. H. . . 34766 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34766 _Assembly.ID 1 _Assembly.Name 'Polypyrimidine tract-binding protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34766 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34766 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GNDSKKFKGDSRSAGVPSRV IHIRKLPIDVTEGEVISLGL PFGKVTNLLMLKGKNQAFIE MNTEEAANTMVNYYTSVTPV LRGQPIYIQFSNHKELKTDS SPNQARAQAALQAVNSVQSG NLA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13375.167 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '57 kDa RNA-binding protein PPTB-1' common 34766 1 'Heterogeneous nuclear ribonucleoprotein I' common 34766 1 PTB common 34766 1 'hnRNP I' common 34766 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 41 GLY . 34766 1 2 42 ASN . 34766 1 3 43 ASP . 34766 1 4 44 SER . 34766 1 5 45 LYS . 34766 1 6 46 LYS . 34766 1 7 47 PHE . 34766 1 8 48 LYS . 34766 1 9 49 GLY . 34766 1 10 50 ASP . 34766 1 11 51 SER . 34766 1 12 52 ARG . 34766 1 13 53 SER . 34766 1 14 54 ALA . 34766 1 15 55 GLY . 34766 1 16 56 VAL . 34766 1 17 57 PRO . 34766 1 18 58 SER . 34766 1 19 59 ARG . 34766 1 20 60 VAL . 34766 1 21 61 ILE . 34766 1 22 62 HIS . 34766 1 23 63 ILE . 34766 1 24 64 ARG . 34766 1 25 65 LYS . 34766 1 26 66 LEU . 34766 1 27 67 PRO . 34766 1 28 68 ILE . 34766 1 29 69 ASP . 34766 1 30 70 VAL . 34766 1 31 71 THR . 34766 1 32 72 GLU . 34766 1 33 73 GLY . 34766 1 34 74 GLU . 34766 1 35 75 VAL . 34766 1 36 76 ILE . 34766 1 37 77 SER . 34766 1 38 78 LEU . 34766 1 39 79 GLY . 34766 1 40 80 LEU . 34766 1 41 81 PRO . 34766 1 42 82 PHE . 34766 1 43 83 GLY . 34766 1 44 84 LYS . 34766 1 45 85 VAL . 34766 1 46 86 THR . 34766 1 47 87 ASN . 34766 1 48 88 LEU . 34766 1 49 89 LEU . 34766 1 50 90 MET . 34766 1 51 91 LEU . 34766 1 52 92 LYS . 34766 1 53 93 GLY . 34766 1 54 94 LYS . 34766 1 55 95 ASN . 34766 1 56 96 GLN . 34766 1 57 97 ALA . 34766 1 58 98 PHE . 34766 1 59 99 ILE . 34766 1 60 100 GLU . 34766 1 61 101 MET . 34766 1 62 102 ASN . 34766 1 63 103 THR . 34766 1 64 104 GLU . 34766 1 65 105 GLU . 34766 1 66 106 ALA . 34766 1 67 107 ALA . 34766 1 68 108 ASN . 34766 1 69 109 THR . 34766 1 70 110 MET . 34766 1 71 111 VAL . 34766 1 72 112 ASN . 34766 1 73 113 TYR . 34766 1 74 114 TYR . 34766 1 75 115 THR . 34766 1 76 116 SER . 34766 1 77 117 VAL . 34766 1 78 118 THR . 34766 1 79 119 PRO . 34766 1 80 120 VAL . 34766 1 81 121 LEU . 34766 1 82 122 ARG . 34766 1 83 123 GLY . 34766 1 84 124 GLN . 34766 1 85 125 PRO . 34766 1 86 126 ILE . 34766 1 87 127 TYR . 34766 1 88 128 ILE . 34766 1 89 129 GLN . 34766 1 90 130 PHE . 34766 1 91 131 SER . 34766 1 92 132 ASN . 34766 1 93 133 HIS . 34766 1 94 134 LYS . 34766 1 95 135 GLU . 34766 1 96 136 LEU . 34766 1 97 137 LYS . 34766 1 98 138 THR . 34766 1 99 139 ASP . 34766 1 100 140 SER . 34766 1 101 141 SER . 34766 1 102 142 PRO . 34766 1 103 143 ASN . 34766 1 104 144 GLN . 34766 1 105 145 ALA . 34766 1 106 146 ARG . 34766 1 107 147 ALA . 34766 1 108 148 GLN . 34766 1 109 149 ALA . 34766 1 110 150 ALA . 34766 1 111 151 LEU . 34766 1 112 152 GLN . 34766 1 113 153 ALA . 34766 1 114 154 VAL . 34766 1 115 155 ASN . 34766 1 116 156 SER . 34766 1 117 157 VAL . 34766 1 118 158 GLN . 34766 1 119 159 SER . 34766 1 120 160 GLY . 34766 1 121 161 ASN . 34766 1 122 162 LEU . 34766 1 123 163 ALA . 34766 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 . GLY 1 1 34766 1 . ASN 2 2 34766 1 . ASP 3 3 34766 1 . SER 4 4 34766 1 . LYS 5 5 34766 1 . LYS 6 6 34766 1 . PHE 7 7 34766 1 . LYS 8 8 34766 1 . GLY 9 9 34766 1 . ASP 10 10 34766 1 . SER 11 11 34766 1 . ARG 12 12 34766 1 . SER 13 13 34766 1 . ALA 14 14 34766 1 . GLY 15 15 34766 1 . VAL 16 16 34766 1 . PRO 17 17 34766 1 . SER 18 18 34766 1 . ARG 19 19 34766 1 . VAL 20 20 34766 1 . ILE 21 21 34766 1 . HIS 22 22 34766 1 . ILE 23 23 34766 1 . ARG 24 24 34766 1 . LYS 25 25 34766 1 . LEU 26 26 34766 1 . PRO 27 27 34766 1 . ILE 28 28 34766 1 . ASP 29 29 34766 1 . VAL 30 30 34766 1 . THR 31 31 34766 1 . GLU 32 32 34766 1 . GLY 33 33 34766 1 . GLU 34 34 34766 1 . VAL 35 35 34766 1 . ILE 36 36 34766 1 . SER 37 37 34766 1 . LEU 38 38 34766 1 . GLY 39 39 34766 1 . LEU 40 40 34766 1 . PRO 41 41 34766 1 . PHE 42 42 34766 1 . GLY 43 43 34766 1 . LYS 44 44 34766 1 . VAL 45 45 34766 1 . THR 46 46 34766 1 . ASN 47 47 34766 1 . LEU 48 48 34766 1 . LEU 49 49 34766 1 . MET 50 50 34766 1 . LEU 51 51 34766 1 . LYS 52 52 34766 1 . GLY 53 53 34766 1 . LYS 54 54 34766 1 . ASN 55 55 34766 1 . GLN 56 56 34766 1 . ALA 57 57 34766 1 . PHE 58 58 34766 1 . ILE 59 59 34766 1 . GLU 60 60 34766 1 . MET 61 61 34766 1 . ASN 62 62 34766 1 . THR 63 63 34766 1 . GLU 64 64 34766 1 . GLU 65 65 34766 1 . ALA 66 66 34766 1 . ALA 67 67 34766 1 . ASN 68 68 34766 1 . THR 69 69 34766 1 . MET 70 70 34766 1 . VAL 71 71 34766 1 . ASN 72 72 34766 1 . TYR 73 73 34766 1 . TYR 74 74 34766 1 . THR 75 75 34766 1 . SER 76 76 34766 1 . VAL 77 77 34766 1 . THR 78 78 34766 1 . PRO 79 79 34766 1 . VAL 80 80 34766 1 . LEU 81 81 34766 1 . ARG 82 82 34766 1 . GLY 83 83 34766 1 . GLN 84 84 34766 1 . PRO 85 85 34766 1 . ILE 86 86 34766 1 . TYR 87 87 34766 1 . ILE 88 88 34766 1 . GLN 89 89 34766 1 . PHE 90 90 34766 1 . SER 91 91 34766 1 . ASN 92 92 34766 1 . HIS 93 93 34766 1 . LYS 94 94 34766 1 . GLU 95 95 34766 1 . LEU 96 96 34766 1 . LYS 97 97 34766 1 . THR 98 98 34766 1 . ASP 99 99 34766 1 . SER 100 100 34766 1 . SER 101 101 34766 1 . PRO 102 102 34766 1 . ASN 103 103 34766 1 . GLN 104 104 34766 1 . ALA 105 105 34766 1 . ARG 106 106 34766 1 . ALA 107 107 34766 1 . GLN 108 108 34766 1 . ALA 109 109 34766 1 . ALA 110 110 34766 1 . LEU 111 111 34766 1 . GLN 112 112 34766 1 . ALA 113 113 34766 1 . VAL 114 114 34766 1 . ASN 115 115 34766 1 . SER 116 116 34766 1 . VAL 117 117 34766 1 . GLN 118 118 34766 1 . SER 119 119 34766 1 . GLY 120 120 34766 1 . ASN 121 121 34766 1 . LEU 122 122 34766 1 . ALA 123 123 34766 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34766 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'PTBP1, PTB' . 34766 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34766 _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 BL21(DE3)' . 'gene for construct inserted between the NdeI and Xho1 sites' 469008 . . . 'Codon-plus RIL' . plasmid . . pTYB11 . . . 34766 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34766 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.8 mM [U-15N]-99% Polypyrimidine-tract binding protein N-terminal RNA recognition motif, 10 mM NaH2PO4/NaOH buffer, 20 mM sodium chloride, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Polypyrimidine-tract binding protein N-terminal RNA recognition motif' [U-15N]-99% . . 1 $entity_1 . . 0.8 . . mM 0.05 . . . 34766 1 2 'NaH2PO4/NaOH buffer' none . . . . . . 10 . . mM 0.5 . . . 34766 1 3 'sodium chloride' none . . . . . . 20 . . mM 0.5 . . . 34766 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34766 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.8 mM [U-13C,15N]-99% Polypyrimidine-tract binding protein N-terminal RNA recognition motif, 10 mM NaH2PO4/NaOH buffer, 20 mM sodium chloride, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Polypyrimidine-tract binding protein N-terminal RNA recognition motif' '[U-13C; U-15N]-99%' . . 1 $entity_1 . . 0.8 . . mM 0.05 . . . 34766 2 2 'NaH2PO4/NaOH buffer' none . . . . . . 10 . . mM 0.5 . . . 34766 2 3 'sodium chloride' none . . . . . . 20 . . mM 0.5 . . . 34766 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34766 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.8 mM [U-15N]-99% Polypyrimidine-tract binding protein N-terminal RNA recognition motif, 10 mM NaH2PO4/NaOH buffer, 20 mM sodium chloride, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Polypyrimidine-tract binding protein N-terminal RNA recognition motif' [U-15N]-99% . . 1 $entity_1 . . 0.8 . . mM 0.05 . . . 34766 3 2 'NaH2PO4/NaOH buffer' none . . . . . . 10 . . mM 0.5 . . . 34766 3 3 'sodium chloride' none . . . . . . 20 . . mM 0.5 . . . 34766 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 34766 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.8 mM [U-15N]-99% Polypyrimidine-tract binding protein N-terminal RNA recognition motif, 10 mM NaH2PO4/NaOH buffer, 20 mM sodium chloride, 0.8 mM [U-13C,15N]-99% UCUUU-SL-RNA, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Polypyrimidine-tract binding protein N-terminal RNA recognition motif' [U-15N]-99% . . 1 $entity_1 . . 0.8 . . mM 0.05 . . . 34766 4 2 'NaH2PO4/NaOH buffer' none . . . . . . 10 . . mM 0.5 . . . 34766 4 3 'sodium chloride' none . . . . . . 20 . . mM 0.5 . . . 34766 4 4 UCUUU-SL-RNA [U-13C,15N]-99% . . . . . . 0.8 . . mM 0.05 . . . 34766 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 34766 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 33.3 0.2 mM 34766 1 pH 6.5 0.05 pH 34766 1 pressure 1 0.01 atm 34766 1 temperature 298 0.2 K 34766 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34766 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _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' 33.3 0.2 mM 34766 2 pH 6.5 0.05 pH 34766 2 pressure 1 0.01 atm 34766 2 temperature 313 0.2 K 34766 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 34766 _Sample_condition_list.ID 3 _Sample_condition_list.Name . _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' 33.3 0.2 mM 34766 3 pH 6.5 0.05 pH 34766 3 pressure 1 0.01 atm 34766 3 temperature 293 0.2 K 34766 3 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34766 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.97beta _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert & Buchner' . . 34766 1 'Wurz & Guntert' . . 34766 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34766 1 refinement . 34766 1 'structure calculation' . 34766 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34766 _Software.ID 2 _Software.Type . _Software.Name TopSpin _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34766 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34766 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34766 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version 1.9.1.7 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34766 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34766 3 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 34766 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Z-axis gradient triple resonance cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34766 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Z-axis gradient triple resonance RT probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34766 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Z-axis gradient triple resonance cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 34766 _NMR_spectrometer.ID 4 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Z-axis gradient triple resonance cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34766 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 900 . . . 34766 1 2 NMR_spectrometer_2 Bruker AVANCE . 750 . . . 34766 1 3 NMR_spectrometer_3 Bruker AVANCE . 700 . . . 34766 1 4 NMR_spectrometer_4 Bruker AVANCE . 500 . . . 34766 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34766 _Experiment_list.ID 1 _Experiment_list.Details ; STRUCTURE WAS CALCULATED USING CONSENSUS METHOD (BUCHNER L AND GUENTERT P 2015 STRUCTURE 23, 425-434). 20 INDEPENDENT STRUCTURE CALCULATIONS OF 100 CONFORMERS WERE PERFORMED AND A SET OF CONSTRAINTS CONSISTENT AMONG 60% OF THE ENSEMBLES WAS COMBINED FOR A FINAL CONSENSUS CALCULATION TO GENERATE THIS ENSEMBLE THE PROTEIN CONTAINS A DYNAMIC REGION WITH RESIDUAL STRUCTURE. DUE TO THE AMBIGUOUS NATURE OF THE CONSTRAINTS AND THE DYNAMIC REGION NO ENERGY REFINEMENT WAS PERFORMED ; 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 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34766 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34766 1 3 '15N T1-relaxation-15HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34766 1 4 '15N T2-relaxation-T1rho-15NHSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34766 1 5 {1H}15N-NOE-15NHSQC no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34766 1 6 'relaxation-compensated IzNz Rex HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34766 1 7 '15N T2-relaxation-dispersion CPMG-15NHSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34766 1 8 '15N T2-relaxation-dispersion-CPMG-15NHSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34766 1 9 '15N T2-relaxation-dispersion-CPMG-15NHSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34766 1 10 'cross-correlated DD/CSA relaxation-15NHSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34766 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 34766 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.000 internal indirect 0.251449530 . . . . . 34766 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34766 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . 34766 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 34766 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 'digital resolution of processed NOESYs' _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 '3D 1H-15N NOESY' . . . 34766 1 2 '3D 1H-13C NOESY' . . . 34766 1 3 '15N T1-relaxation-15HSQC' . . . 34766 1 4 '15N T2-relaxation-T1rho-15NHSQC' . . . 34766 1 5 {1H}15N-NOE-15NHSQC . . . 34766 1 6 'relaxation-compensated IzNz Rex HSQC' . . . 34766 1 7 '15N T2-relaxation-dispersion CPMG-15NHSQC' . . . 34766 1 8 '15N T2-relaxation-dispersion-CPMG-15NHSQC' . . . 34766 1 9 '15N T2-relaxation-dispersion-CPMG-15NHSQC' . . . 34766 1 10 'cross-correlated DD/CSA relaxation-15NHSQC' . . . 34766 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 4 4 SER HA H 1 4.377 0.020 . 1 . . . . A 44 SER HA . 34766 1 2 . 1 . 1 4 4 SER HB2 H 1 3.916 0.020 . 2 . . . . A 44 SER HB2 . 34766 1 3 . 1 . 1 4 4 SER HB3 H 1 3.916 0.020 . 2 . . . . A 44 SER HB3 . 34766 1 4 . 1 . 1 4 4 SER C C 13 174.951 0.300 . 1 . . . . A 44 SER C . 34766 1 5 . 1 . 1 4 4 SER CA C 13 59.074 0.300 . 1 . . . . A 44 SER CA . 34766 1 6 . 1 . 1 4 4 SER CB C 13 63.828 0.300 . 1 . . . . A 44 SER CB . 34766 1 7 . 1 . 1 4 4 SER N N 15 116.449 0.300 . 1 . . . . A 44 SER N . 34766 1 8 . 1 . 1 5 5 LYS H H 1 8.312 0.020 . 1 . . . . A 45 LYS H . 34766 1 9 . 1 . 1 5 5 LYS HA H 1 4.275 0.020 . 1 . . . . A 45 LYS HA . 34766 1 10 . 1 . 1 5 5 LYS HB3 H 1 1.827 0.020 . 2 . . . . A 45 LYS HB3 . 34766 1 11 . 1 . 1 5 5 LYS HG2 H 1 1.452 0.020 . 2 . . . . A 45 LYS HG2 . 34766 1 12 . 1 . 1 5 5 LYS HG3 H 1 1.452 0.020 . 2 . . . . A 45 LYS HG3 . 34766 1 13 . 1 . 1 5 5 LYS HD2 H 1 1.662 0.020 . 2 . . . . A 45 LYS HD2 . 34766 1 14 . 1 . 1 5 5 LYS HD3 H 1 1.662 0.020 . 2 . . . . A 45 LYS HD3 . 34766 1 15 . 1 . 1 5 5 LYS C C 13 176.595 0.300 . 1 . . . . A 45 LYS C . 34766 1 16 . 1 . 1 5 5 LYS CA C 13 56.524 0.300 . 1 . . . . A 45 LYS CA . 34766 1 17 . 1 . 1 5 5 LYS CB C 13 32.583 0.300 . 1 . . . . A 45 LYS CB . 34766 1 18 . 1 . 1 5 5 LYS CG C 13 24.956 0.300 . 1 . . . . A 45 LYS CG . 34766 1 19 . 1 . 1 5 5 LYS CD C 13 29.018 0.300 . 1 . . . . A 45 LYS CD . 34766 1 20 . 1 . 1 5 5 LYS CE C 13 42.303 0.300 . 1 . . . . A 45 LYS CE . 34766 1 21 . 1 . 1 5 5 LYS N N 15 122.704 0.300 . 1 . . . . A 45 LYS N . 34766 1 22 . 1 . 1 6 6 LYS H H 1 8.078 0.020 . 1 . . . . A 46 LYS H . 34766 1 23 . 1 . 1 6 6 LYS HA H 1 4.239 0.020 . 1 . . . . A 46 LYS HA . 34766 1 24 . 1 . 1 6 6 LYS HB2 H 1 1.678 0.020 . 2 . . . . A 46 LYS HB2 . 34766 1 25 . 1 . 1 6 6 LYS HB3 H 1 1.678 0.020 . 2 . . . . A 46 LYS HB3 . 34766 1 26 . 1 . 1 6 6 LYS HD2 H 1 1.649 0.020 . 2 . . . . A 46 LYS HD2 . 34766 1 27 . 1 . 1 6 6 LYS HD3 H 1 1.649 0.020 . 2 . . . . A 46 LYS HD3 . 34766 1 28 . 1 . 1 6 6 LYS C C 13 176.258 0.300 . 1 . . . . A 46 LYS C . 34766 1 29 . 1 . 1 6 6 LYS CA C 13 56.398 0.300 . 1 . . . . A 46 LYS CA . 34766 1 30 . 1 . 1 6 6 LYS CB C 13 33.114 0.300 . 1 . . . . A 46 LYS CB . 34766 1 31 . 1 . 1 6 6 LYS CG C 13 24.790 0.300 . 1 . . . . A 46 LYS CG . 34766 1 32 . 1 . 1 6 6 LYS CD C 13 29.108 0.300 . 1 . . . . A 46 LYS CD . 34766 1 33 . 1 . 1 6 6 LYS CE C 13 41.936 0.300 . 1 . . . . A 46 LYS CE . 34766 1 34 . 1 . 1 6 6 LYS N N 15 121.482 0.300 . 1 . . . . A 46 LYS N . 34766 1 35 . 1 . 1 7 7 PHE H H 1 8.230 0.020 . 1 . . . . A 47 PHE H . 34766 1 36 . 1 . 1 7 7 PHE HA H 1 4.631 0.020 . 1 . . . . A 47 PHE HA . 34766 1 37 . 1 . 1 7 7 PHE HB2 H 1 3.061 0.020 . 2 . . . . A 47 PHE HB2 . 34766 1 38 . 1 . 1 7 7 PHE HB3 H 1 3.121 0.020 . 2 . . . . A 47 PHE HB3 . 34766 1 39 . 1 . 1 7 7 PHE HD1 H 1 7.269 0.020 . 1 . . . . A 47 PHE HD1 . 34766 1 40 . 1 . 1 7 7 PHE HD2 H 1 7.269 0.020 . 1 . . . . A 47 PHE HD2 . 34766 1 41 . 1 . 1 7 7 PHE HE1 H 1 7.346 0.020 . 1 . . . . A 47 PHE HE1 . 34766 1 42 . 1 . 1 7 7 PHE HE2 H 1 7.346 0.020 . 1 . . . . A 47 PHE HE2 . 34766 1 43 . 1 . 1 7 7 PHE C C 13 175.623 0.300 . 1 . . . . A 47 PHE C . 34766 1 44 . 1 . 1 7 7 PHE CA C 13 57.680 0.300 . 1 . . . . A 47 PHE CA . 34766 1 45 . 1 . 1 7 7 PHE CB C 13 39.649 0.300 . 1 . . . . A 47 PHE CB . 34766 1 46 . 1 . 1 7 7 PHE CD1 C 13 131.917 0.300 . 1 . . . . A 47 PHE CD1 . 34766 1 47 . 1 . 1 7 7 PHE CE1 C 13 131.715 0.300 . 1 . . . . A 47 PHE CE1 . 34766 1 48 . 1 . 1 7 7 PHE CZ C 13 131.830 0.300 . 1 . . . . A 47 PHE CZ . 34766 1 49 . 1 . 1 7 7 PHE N N 15 121.327 0.300 . 1 . . . . A 47 PHE N . 34766 1 50 . 1 . 1 8 8 LYS H H 1 8.280 0.020 . 1 . . . . A 48 LYS H . 34766 1 51 . 1 . 1 8 8 LYS HA H 1 4.286 0.020 . 1 . . . . A 48 LYS HA . 34766 1 52 . 1 . 1 8 8 LYS HB2 H 1 1.702 0.020 . 2 . . . . A 48 LYS HB2 . 34766 1 53 . 1 . 1 8 8 LYS HB3 H 1 1.778 0.020 . 2 . . . . A 48 LYS HB3 . 34766 1 54 . 1 . 1 8 8 LYS HG2 H 1 1.382 0.020 . 2 . . . . A 48 LYS HG2 . 34766 1 55 . 1 . 1 8 8 LYS HG3 H 1 1.382 0.020 . 2 . . . . A 48 LYS HG3 . 34766 1 56 . 1 . 1 8 8 LYS HD2 H 1 1.661 0.020 . 2 . . . . A 48 LYS HD2 . 34766 1 57 . 1 . 1 8 8 LYS HD3 H 1 1.661 0.020 . 2 . . . . A 48 LYS HD3 . 34766 1 58 . 1 . 1 8 8 LYS C C 13 176.595 0.300 . 1 . . . . A 48 LYS C . 34766 1 59 . 1 . 1 8 8 LYS CA C 13 56.409 0.300 . 1 . . . . A 48 LYS CA . 34766 1 60 . 1 . 1 8 8 LYS CB C 13 33.049 0.300 . 1 . . . . A 48 LYS CB . 34766 1 61 . 1 . 1 8 8 LYS CG C 13 24.861 0.300 . 1 . . . . A 48 LYS CG . 34766 1 62 . 1 . 1 8 8 LYS CD C 13 29.050 0.300 . 1 . . . . A 48 LYS CD . 34766 1 63 . 1 . 1 8 8 LYS CE C 13 41.939 0.300 . 1 . . . . A 48 LYS CE . 34766 1 64 . 1 . 1 8 8 LYS N N 15 124.014 0.300 . 1 . . . . A 48 LYS N . 34766 1 65 . 1 . 1 9 9 GLY H H 1 7.857 0.020 . 1 . . . . A 49 GLY H . 34766 1 66 . 1 . 1 9 9 GLY HA2 H 1 3.909 0.020 . 2 . . . . A 49 GLY HA2 . 34766 1 67 . 1 . 1 9 9 GLY HA3 H 1 3.909 0.020 . 2 . . . . A 49 GLY HA3 . 34766 1 68 . 1 . 1 9 9 GLY C C 13 173.561 0.300 . 1 . . . . A 49 GLY C . 34766 1 69 . 1 . 1 9 9 GLY CA C 13 45.360 0.300 . 1 . . . . A 49 GLY CA . 34766 1 70 . 1 . 1 9 9 GLY N N 15 109.608 0.300 . 1 . . . . A 49 GLY N . 34766 1 71 . 1 . 1 10 10 ASP H H 1 8.270 0.020 . 1 . . . . A 50 ASP H . 34766 1 72 . 1 . 1 10 10 ASP HA H 1 4.661 0.020 . 1 . . . . A 50 ASP HA . 34766 1 73 . 1 . 1 10 10 ASP HB2 H 1 2.693 0.020 . 2 . . . . A 50 ASP HB2 . 34766 1 74 . 1 . 1 10 10 ASP HB3 H 1 2.732 0.020 . 2 . . . . A 50 ASP HB3 . 34766 1 75 . 1 . 1 10 10 ASP C C 13 176.595 0.300 . 1 . . . . A 50 ASP C . 34766 1 76 . 1 . 1 10 10 ASP CA C 13 54.244 0.300 . 1 . . . . A 50 ASP CA . 34766 1 77 . 1 . 1 10 10 ASP CB C 13 41.508 0.300 . 1 . . . . A 50 ASP CB . 34766 1 78 . 1 . 1 10 10 ASP N N 15 120.508 0.300 . 1 . . . . A 50 ASP N . 34766 1 79 . 1 . 1 11 11 SER H H 1 8.347 0.020 . 1 . . . . A 51 SER H . 34766 1 80 . 1 . 1 11 11 SER C C 13 174.909 0.300 . 1 . . . . A 51 SER C . 34766 1 81 . 1 . 1 11 11 SER CA C 13 58.535 0.300 . 1 . . . . A 51 SER CA . 34766 1 82 . 1 . 1 11 11 SER CB C 13 63.823 0.300 . 1 . . . . A 51 SER CB . 34766 1 83 . 1 . 1 11 11 SER N N 15 116.697 0.300 . 1 . . . . A 51 SER N . 34766 1 84 . 1 . 1 12 12 ARG H H 1 8.441 0.020 . 1 . . . . A 52 ARG H . 34766 1 85 . 1 . 1 12 12 ARG HA H 1 4.376 0.020 . 1 . . . . A 52 ARG HA . 34766 1 86 . 1 . 1 12 12 ARG HB2 H 1 1.816 0.020 . 2 . . . . A 52 ARG HB2 . 34766 1 87 . 1 . 1 12 12 ARG HB3 H 1 1.908 0.020 . 2 . . . . A 52 ARG HB3 . 34766 1 88 . 1 . 1 12 12 ARG HG2 H 1 1.652 0.020 . 2 . . . . A 52 ARG HG2 . 34766 1 89 . 1 . 1 12 12 ARG HG3 H 1 1.652 0.020 . 2 . . . . A 52 ARG HG3 . 34766 1 90 . 1 . 1 12 12 ARG HD2 H 1 3.204 0.020 . 2 . . . . A 52 ARG HD2 . 34766 1 91 . 1 . 1 12 12 ARG HD3 H 1 3.204 0.020 . 2 . . . . A 52 ARG HD3 . 34766 1 92 . 1 . 1 12 12 ARG C C 13 176.654 0.300 . 1 . . . . A 52 ARG C . 34766 1 93 . 1 . 1 12 12 ARG CA C 13 56.453 0.300 . 1 . . . . A 52 ARG CA . 34766 1 94 . 1 . 1 12 12 ARG CB C 13 30.662 0.300 . 1 . . . . A 52 ARG CB . 34766 1 95 . 1 . 1 12 12 ARG CG C 13 27.103 0.300 . 1 . . . . A 52 ARG CG . 34766 1 96 . 1 . 1 12 12 ARG CD C 13 43.449 0.300 . 1 . . . . A 52 ARG CD . 34766 1 97 . 1 . 1 12 12 ARG N N 15 122.649 0.300 . 1 . . . . A 52 ARG N . 34766 1 98 . 1 . 1 13 13 SER H H 1 8.294 0.020 . 1 . . . . A 53 SER H . 34766 1 99 . 1 . 1 13 13 SER HA H 1 4.454 0.020 . 1 . . . . A 53 SER HA . 34766 1 100 . 1 . 1 13 13 SER HB2 H 1 3.871 0.020 . 2 . . . . A 53 SER HB2 . 34766 1 101 . 1 . 1 13 13 SER HB3 H 1 3.909 0.020 . 2 . . . . A 53 SER HB3 . 34766 1 102 . 1 . 1 13 13 SER C C 13 174.325 0.300 . 1 . . . . A 53 SER C . 34766 1 103 . 1 . 1 13 13 SER CA C 13 58.492 0.300 . 1 . . . . A 53 SER CA . 34766 1 104 . 1 . 1 13 13 SER CB C 13 63.837 0.300 . 1 . . . . A 53 SER CB . 34766 1 105 . 1 . 1 13 13 SER N N 15 116.522 0.300 . 1 . . . . A 53 SER N . 34766 1 106 . 1 . 1 14 14 ALA H H 1 8.358 0.020 . 1 . . . . A 54 ALA H . 34766 1 107 . 1 . 1 14 14 ALA HA H 1 4.395 0.020 . 1 . . . . A 54 ALA HA . 34766 1 108 . 1 . 1 14 14 ALA HB1 H 1 1.425 0.020 . 1 . . . . A 54 ALA HB1 . 34766 1 109 . 1 . 1 14 14 ALA HB2 H 1 1.425 0.020 . 1 . . . . A 54 ALA HB2 . 34766 1 110 . 1 . 1 14 14 ALA HB3 H 1 1.425 0.020 . 1 . . . . A 54 ALA HB3 . 34766 1 111 . 1 . 1 14 14 ALA C C 13 177.751 0.300 . 1 . . . . A 54 ALA C . 34766 1 112 . 1 . 1 14 14 ALA CA C 13 52.621 0.300 . 1 . . . . A 54 ALA CA . 34766 1 113 . 1 . 1 14 14 ALA CB C 13 19.550 0.300 . 1 . . . . A 54 ALA CB . 34766 1 114 . 1 . 1 14 14 ALA N N 15 125.983 0.300 . 1 . . . . A 54 ALA N . 34766 1 115 . 1 . 1 15 15 GLY H H 1 8.209 0.020 . 1 . . . . A 55 GLY H . 34766 1 116 . 1 . 1 15 15 GLY HA2 H 1 3.963 0.020 . 2 . . . . A 55 GLY HA2 . 34766 1 117 . 1 . 1 15 15 GLY HA3 H 1 3.963 0.020 . 2 . . . . A 55 GLY HA3 . 34766 1 118 . 1 . 1 15 15 GLY C C 13 173.452 0.300 . 1 . . . . A 55 GLY C . 34766 1 119 . 1 . 1 15 15 GLY CA C 13 44.837 0.300 . 1 . . . . A 55 GLY CA . 34766 1 120 . 1 . 1 15 15 GLY N N 15 107.526 0.300 . 1 . . . . A 55 GLY N . 34766 1 121 . 1 . 1 16 16 VAL H H 1 8.214 0.020 . 1 . . . . A 56 VAL H . 34766 1 122 . 1 . 1 16 16 VAL HA H 1 4.232 0.020 . 1 . . . . A 56 VAL HA . 34766 1 123 . 1 . 1 16 16 VAL HB H 1 1.745 0.020 . 1 . . . . A 56 VAL HB . 34766 1 124 . 1 . 1 16 16 VAL HG11 H 1 0.765 0.020 . 2 . . . . A 56 VAL HG11 . 34766 1 125 . 1 . 1 16 16 VAL HG12 H 1 0.765 0.020 . 2 . . . . A 56 VAL HG12 . 34766 1 126 . 1 . 1 16 16 VAL HG13 H 1 0.765 0.020 . 2 . . . . A 56 VAL HG13 . 34766 1 127 . 1 . 1 16 16 VAL HG21 H 1 0.865 0.020 . 2 . . . . A 56 VAL HG21 . 34766 1 128 . 1 . 1 16 16 VAL HG22 H 1 0.865 0.020 . 2 . . . . A 56 VAL HG22 . 34766 1 129 . 1 . 1 16 16 VAL HG23 H 1 0.865 0.020 . 2 . . . . A 56 VAL HG23 . 34766 1 130 . 1 . 1 16 16 VAL C C 13 174.721 0.300 . 1 . . . . A 56 VAL C . 34766 1 131 . 1 . 1 16 16 VAL CA C 13 59.843 0.300 . 1 . . . . A 56 VAL CA . 34766 1 132 . 1 . 1 16 16 VAL CB C 13 32.765 0.300 . 1 . . . . A 56 VAL CB . 34766 1 133 . 1 . 1 16 16 VAL CG1 C 13 20.743 0.300 . 2 . . . . A 56 VAL CG1 . 34766 1 134 . 1 . 1 16 16 VAL CG2 C 13 20.783 0.300 . 2 . . . . A 56 VAL CG2 . 34766 1 135 . 1 . 1 16 16 VAL N N 15 122.107 0.300 . 1 . . . . A 56 VAL N . 34766 1 136 . 1 . 1 17 17 PRO HA H 1 3.202 0.020 . 1 . . . . A 57 PRO HA . 34766 1 137 . 1 . 1 17 17 PRO HB2 H 1 1.731 0.020 . 2 . . . . A 57 PRO HB2 . 34766 1 138 . 1 . 1 17 17 PRO HB3 H 1 1.867 0.020 . 2 . . . . A 57 PRO HB3 . 34766 1 139 . 1 . 1 17 17 PRO HG2 H 1 1.864 0.020 . 2 . . . . A 57 PRO HG2 . 34766 1 140 . 1 . 1 17 17 PRO HG3 H 1 1.781 0.020 . 2 . . . . A 57 PRO HG3 . 34766 1 141 . 1 . 1 17 17 PRO HD2 H 1 3.365 0.020 . 2 . . . . A 57 PRO HD2 . 34766 1 142 . 1 . 1 17 17 PRO HD3 H 1 3.755 0.020 . 2 . . . . A 57 PRO HD3 . 34766 1 143 . 1 . 1 17 17 PRO C C 13 175.356 0.300 . 1 . . . . A 57 PRO C . 34766 1 144 . 1 . 1 17 17 PRO CA C 13 62.940 0.300 . 1 . . . . A 57 PRO CA . 34766 1 145 . 1 . 1 17 17 PRO CB C 13 31.440 0.300 . 1 . . . . A 57 PRO CB . 34766 1 146 . 1 . 1 17 17 PRO CG C 13 27.443 0.300 . 1 . . . . A 57 PRO CG . 34766 1 147 . 1 . 1 17 17 PRO CD C 13 50.755 0.300 . 1 . . . . A 57 PRO CD . 34766 1 148 . 1 . 1 17 17 PRO N N 15 139.505 0.300 . 1 . . . . A 57 PRO N . 34766 1 149 . 1 . 1 18 18 SER H H 1 7.280 0.020 . 1 . . . . A 58 SER H . 34766 1 150 . 1 . 1 18 18 SER HA H 1 4.579 0.020 . 1 . . . . A 58 SER HA . 34766 1 151 . 1 . 1 18 18 SER HB2 H 1 3.721 0.020 . 2 . . . . A 58 SER HB2 . 34766 1 152 . 1 . 1 18 18 SER HB3 H 1 3.989 0.020 . 2 . . . . A 58 SER HB3 . 34766 1 153 . 1 . 1 18 18 SER C C 13 173.194 0.300 . 1 . . . . A 58 SER C . 34766 1 154 . 1 . 1 18 18 SER CA C 13 56.477 0.300 . 1 . . . . A 58 SER CA . 34766 1 155 . 1 . 1 18 18 SER CB C 13 64.829 0.300 . 1 . . . . A 58 SER CB . 34766 1 156 . 1 . 1 18 18 SER N N 15 115.035 0.300 . 1 . . . . A 58 SER N . 34766 1 157 . 1 . 1 19 19 ARG H H 1 8.599 0.020 . 1 . . . . A 59 ARG H . 34766 1 158 . 1 . 1 19 19 ARG HA H 1 4.380 0.020 . 1 . . . . A 59 ARG HA . 34766 1 159 . 1 . 1 19 19 ARG HB2 H 1 1.812 0.020 . 2 . . . . A 59 ARG HB2 . 34766 1 160 . 1 . 1 19 19 ARG HB3 H 1 2.228 0.020 . 2 . . . . A 59 ARG HB3 . 34766 1 161 . 1 . 1 19 19 ARG HG2 H 1 1.307 0.020 . 2 . . . . A 59 ARG HG2 . 34766 1 162 . 1 . 1 19 19 ARG HG3 H 1 1.790 0.020 . 2 . . . . A 59 ARG HG3 . 34766 1 163 . 1 . 1 19 19 ARG HD2 H 1 3.218 0.020 . 2 . . . . A 59 ARG HD2 . 34766 1 164 . 1 . 1 19 19 ARG HD3 H 1 3.191 0.020 . 2 . . . . A 59 ARG HD3 . 34766 1 165 . 1 . 1 19 19 ARG HE H 1 7.282 0.020 . 1 . . . . A 59 ARG HE . 34766 1 166 . 1 . 1 19 19 ARG C C 13 174.927 0.300 . 1 . . . . A 59 ARG C . 34766 1 167 . 1 . 1 19 19 ARG CA C 13 57.020 0.300 . 1 . . . . A 59 ARG CA . 34766 1 168 . 1 . 1 19 19 ARG CB C 13 31.479 0.300 . 1 . . . . A 59 ARG CB . 34766 1 169 . 1 . 1 19 19 ARG CG C 13 28.328 0.300 . 1 . . . . A 59 ARG CG . 34766 1 170 . 1 . 1 19 19 ARG CD C 13 43.865 0.300 . 1 . . . . A 59 ARG CD . 34766 1 171 . 1 . 1 19 19 ARG N N 15 119.209 0.300 . 1 . . . . A 59 ARG N . 34766 1 172 . 1 . 1 19 19 ARG NE N 15 84.067 0.300 . 1 . . . . A 59 ARG NE . 34766 1 173 . 1 . 1 20 20 VAL H H 1 8.673 0.020 . 1 . . . . A 60 VAL H . 34766 1 174 . 1 . 1 20 20 VAL HA H 1 4.861 0.020 . 1 . . . . A 60 VAL HA . 34766 1 175 . 1 . 1 20 20 VAL HB H 1 2.088 0.020 . 1 . . . . A 60 VAL HB . 34766 1 176 . 1 . 1 20 20 VAL HG11 H 1 0.935 0.020 . 2 . . . . A 60 VAL HG11 . 34766 1 177 . 1 . 1 20 20 VAL HG12 H 1 0.935 0.020 . 2 . . . . A 60 VAL HG12 . 34766 1 178 . 1 . 1 20 20 VAL HG13 H 1 0.935 0.020 . 2 . . . . A 60 VAL HG13 . 34766 1 179 . 1 . 1 20 20 VAL HG21 H 1 0.735 0.020 . 2 . . . . A 60 VAL HG21 . 34766 1 180 . 1 . 1 20 20 VAL HG22 H 1 0.735 0.020 . 2 . . . . A 60 VAL HG22 . 34766 1 181 . 1 . 1 20 20 VAL HG23 H 1 0.735 0.020 . 2 . . . . A 60 VAL HG23 . 34766 1 182 . 1 . 1 20 20 VAL C C 13 174.473 0.300 . 1 . . . . A 60 VAL C . 34766 1 183 . 1 . 1 20 20 VAL CA C 13 62.040 0.300 . 1 . . . . A 60 VAL CA . 34766 1 184 . 1 . 1 20 20 VAL CB C 13 32.221 0.300 . 1 . . . . A 60 VAL CB . 34766 1 185 . 1 . 1 20 20 VAL CG1 C 13 22.843 0.300 . 2 . . . . A 60 VAL CG1 . 34766 1 186 . 1 . 1 20 20 VAL CG2 C 13 21.870 0.300 . 2 . . . . A 60 VAL CG2 . 34766 1 187 . 1 . 1 20 20 VAL N N 15 119.274 0.300 . 1 . . . . A 60 VAL N . 34766 1 188 . 1 . 1 21 21 ILE H H 1 9.492 0.020 . 1 . . . . A 61 ILE H . 34766 1 189 . 1 . 1 21 21 ILE HA H 1 4.413 0.020 . 1 . . . . A 61 ILE HA . 34766 1 190 . 1 . 1 21 21 ILE HB H 1 1.847 0.020 . 1 . . . . A 61 ILE HB . 34766 1 191 . 1 . 1 21 21 ILE HG12 H 1 1.075 0.020 . 2 . . . . A 61 ILE HG12 . 34766 1 192 . 1 . 1 21 21 ILE HG13 H 1 1.500 0.020 . 2 . . . . A 61 ILE HG13 . 34766 1 193 . 1 . 1 21 21 ILE HG21 H 1 0.728 0.020 . 1 . . . . A 61 ILE HG21 . 34766 1 194 . 1 . 1 21 21 ILE HG22 H 1 0.728 0.020 . 1 . . . . A 61 ILE HG22 . 34766 1 195 . 1 . 1 21 21 ILE HG23 H 1 0.728 0.020 . 1 . . . . A 61 ILE HG23 . 34766 1 196 . 1 . 1 21 21 ILE HD11 H 1 0.788 0.020 . 1 . . . . A 61 ILE HD11 . 34766 1 197 . 1 . 1 21 21 ILE HD12 H 1 0.788 0.020 . 1 . . . . A 61 ILE HD12 . 34766 1 198 . 1 . 1 21 21 ILE HD13 H 1 0.788 0.020 . 1 . . . . A 61 ILE HD13 . 34766 1 199 . 1 . 1 21 21 ILE C C 13 173.898 0.300 . 1 . . . . A 61 ILE C . 34766 1 200 . 1 . 1 21 21 ILE CA C 13 59.518 0.300 . 1 . . . . A 61 ILE CA . 34766 1 201 . 1 . 1 21 21 ILE CB C 13 40.313 0.300 . 1 . . . . A 61 ILE CB . 34766 1 202 . 1 . 1 21 21 ILE CG1 C 13 27.966 0.300 . 1 . . . . A 61 ILE CG1 . 34766 1 203 . 1 . 1 21 21 ILE CG2 C 13 19.117 0.300 . 1 . . . . A 61 ILE CG2 . 34766 1 204 . 1 . 1 21 21 ILE CD1 C 13 14.194 0.300 . 1 . . . . A 61 ILE CD1 . 34766 1 205 . 1 . 1 21 21 ILE N N 15 129.549 0.300 . 1 . . . . A 61 ILE N . 34766 1 206 . 1 . 1 22 22 HIS H H 1 9.389 0.020 . 1 . . . . A 62 HIS H . 34766 1 207 . 1 . 1 22 22 HIS HA H 1 5.009 0.020 . 1 . . . . A 62 HIS HA . 34766 1 208 . 1 . 1 22 22 HIS HB2 H 1 2.668 0.020 . 2 . . . . A 62 HIS HB2 . 34766 1 209 . 1 . 1 22 22 HIS HB3 H 1 3.180 0.020 . 2 . . . . A 62 HIS HB3 . 34766 1 210 . 1 . 1 22 22 HIS HD2 H 1 6.139 0.020 . 1 . . . . A 62 HIS HD2 . 34766 1 211 . 1 . 1 22 22 HIS HE1 H 1 7.668 0.020 . 1 . . . . A 62 HIS HE1 . 34766 1 212 . 1 . 1 22 22 HIS C C 13 173.472 0.300 . 1 . . . . A 62 HIS C . 34766 1 213 . 1 . 1 22 22 HIS CA C 13 53.159 0.300 . 1 . . . . A 62 HIS CA . 34766 1 214 . 1 . 1 22 22 HIS CB C 13 35.367 0.300 . 1 . . . . A 62 HIS CB . 34766 1 215 . 1 . 1 22 22 HIS CD2 C 13 116.087 0.300 . 1 . . . . A 62 HIS CD2 . 34766 1 216 . 1 . 1 22 22 HIS CE1 C 13 138.166 0.300 . 1 . . . . A 62 HIS CE1 . 34766 1 217 . 1 . 1 22 22 HIS N N 15 128.771 0.300 . 1 . . . . A 62 HIS N . 34766 1 218 . 1 . 1 23 23 ILE H H 1 9.243 0.020 . 1 . . . . A 63 ILE H . 34766 1 219 . 1 . 1 23 23 ILE HA H 1 4.849 0.020 . 1 . . . . A 63 ILE HA . 34766 1 220 . 1 . 1 23 23 ILE HB H 1 1.547 0.020 . 1 . . . . A 63 ILE HB . 34766 1 221 . 1 . 1 23 23 ILE HG12 H 1 0.874 0.020 . 2 . . . . A 63 ILE HG12 . 34766 1 222 . 1 . 1 23 23 ILE HG13 H 1 1.448 0.020 . 2 . . . . A 63 ILE HG13 . 34766 1 223 . 1 . 1 23 23 ILE HG21 H 1 0.758 0.020 . 1 . . . . A 63 ILE HG21 . 34766 1 224 . 1 . 1 23 23 ILE HG22 H 1 0.758 0.020 . 1 . . . . A 63 ILE HG22 . 34766 1 225 . 1 . 1 23 23 ILE HG23 H 1 0.758 0.020 . 1 . . . . A 63 ILE HG23 . 34766 1 226 . 1 . 1 23 23 ILE HD11 H 1 0.644 0.020 . 1 . . . . A 63 ILE HD11 . 34766 1 227 . 1 . 1 23 23 ILE HD12 H 1 0.644 0.020 . 1 . . . . A 63 ILE HD12 . 34766 1 228 . 1 . 1 23 23 ILE HD13 H 1 0.644 0.020 . 1 . . . . A 63 ILE HD13 . 34766 1 229 . 1 . 1 23 23 ILE C C 13 174.592 0.300 . 1 . . . . A 63 ILE C . 34766 1 230 . 1 . 1 23 23 ILE CA C 13 60.056 0.300 . 1 . . . . A 63 ILE CA . 34766 1 231 . 1 . 1 23 23 ILE CB C 13 39.477 0.300 . 1 . . . . A 63 ILE CB . 34766 1 232 . 1 . 1 23 23 ILE CG1 C 13 27.900 0.300 . 1 . . . . A 63 ILE CG1 . 34766 1 233 . 1 . 1 23 23 ILE CG2 C 13 19.608 0.300 . 1 . . . . A 63 ILE CG2 . 34766 1 234 . 1 . 1 23 23 ILE CD1 C 13 14.578 0.300 . 1 . . . . A 63 ILE CD1 . 34766 1 235 . 1 . 1 23 23 ILE N N 15 128.104 0.300 . 1 . . . . A 63 ILE N . 34766 1 236 . 1 . 1 24 24 ARG H H 1 8.870 0.020 . 1 . . . . A 64 ARG H . 34766 1 237 . 1 . 1 24 24 ARG HA H 1 4.872 0.020 . 1 . . . . A 64 ARG HA . 34766 1 238 . 1 . 1 24 24 ARG HB2 H 1 1.562 0.020 . 2 . . . . A 64 ARG HB2 . 34766 1 239 . 1 . 1 24 24 ARG HB3 H 1 1.835 0.020 . 2 . . . . A 64 ARG HB3 . 34766 1 240 . 1 . 1 24 24 ARG HG2 H 1 0.989 0.020 . 2 . . . . A 64 ARG HG2 . 34766 1 241 . 1 . 1 24 24 ARG HG3 H 1 1.139 0.020 . 2 . . . . A 64 ARG HG3 . 34766 1 242 . 1 . 1 24 24 ARG HD2 H 1 2.814 0.020 . 2 . . . . A 64 ARG HD2 . 34766 1 243 . 1 . 1 24 24 ARG HD3 H 1 2.814 0.020 . 2 . . . . A 64 ARG HD3 . 34766 1 244 . 1 . 1 24 24 ARG C C 13 174.176 0.300 . 1 . . . . A 64 ARG C . 34766 1 245 . 1 . 1 24 24 ARG CA C 13 54.240 0.300 . 1 . . . . A 64 ARG CA . 34766 1 246 . 1 . 1 24 24 ARG CB C 13 34.656 0.300 . 1 . . . . A 64 ARG CB . 34766 1 247 . 1 . 1 24 24 ARG CG C 13 27.896 0.300 . 1 . . . . A 64 ARG CG . 34766 1 248 . 1 . 1 24 24 ARG CD C 13 43.514 0.300 . 1 . . . . A 64 ARG CD . 34766 1 249 . 1 . 1 24 24 ARG N N 15 123.470 0.300 . 1 . . . . A 64 ARG N . 34766 1 250 . 1 . 1 24 24 ARG NE N 15 83.691 0.300 . 1 . . . . A 64 ARG NE . 34766 1 251 . 1 . 1 25 25 LYS H H 1 8.628 0.020 . 1 . . . . A 65 LYS H . 34766 1 252 . 1 . 1 25 25 LYS HA H 1 3.827 0.020 . 1 . . . . A 65 LYS HA . 34766 1 253 . 1 . 1 25 25 LYS HB2 H 1 2.150 0.020 . 2 . . . . A 65 LYS HB2 . 34766 1 254 . 1 . 1 25 25 LYS HB3 H 1 2.172 0.020 . 2 . . . . A 65 LYS HB3 . 34766 1 255 . 1 . 1 25 25 LYS HG2 H 1 1.356 0.020 . 2 . . . . A 65 LYS HG2 . 34766 1 256 . 1 . 1 25 25 LYS HG3 H 1 1.356 0.020 . 2 . . . . A 65 LYS HG3 . 34766 1 257 . 1 . 1 25 25 LYS HD2 H 1 1.609 0.020 . 2 . . . . A 65 LYS HD2 . 34766 1 258 . 1 . 1 25 25 LYS HD3 H 1 1.640 0.020 . 2 . . . . A 65 LYS HD3 . 34766 1 259 . 1 . 1 25 25 LYS HE2 H 1 2.871 0.020 . 2 . . . . A 65 LYS HE2 . 34766 1 260 . 1 . 1 25 25 LYS HE3 H 1 2.888 0.020 . 2 . . . . A 65 LYS HE3 . 34766 1 261 . 1 . 1 25 25 LYS C C 13 175.247 0.300 . 1 . . . . A 65 LYS C . 34766 1 262 . 1 . 1 25 25 LYS CA C 13 56.819 0.300 . 1 . . . . A 65 LYS CA . 34766 1 263 . 1 . 1 25 25 LYS CB C 13 29.399 0.300 . 1 . . . . A 65 LYS CB . 34766 1 264 . 1 . 1 25 25 LYS CG C 13 25.684 0.300 . 1 . . . . A 65 LYS CG . 34766 1 265 . 1 . 1 25 25 LYS CD C 13 29.188 0.300 . 1 . . . . A 65 LYS CD . 34766 1 266 . 1 . 1 25 25 LYS CE C 13 42.080 0.300 . 1 . . . . A 65 LYS CE . 34766 1 267 . 1 . 1 25 25 LYS N N 15 114.243 0.300 . 1 . . . . A 65 LYS N . 34766 1 268 . 1 . 1 26 26 LEU H H 1 7.830 0.020 . 1 . . . . A 66 LEU H . 34766 1 269 . 1 . 1 26 26 LEU HA H 1 4.114 0.020 . 1 . . . . A 66 LEU HA . 34766 1 270 . 1 . 1 26 26 LEU HB2 H 1 1.163 0.020 . 2 . . . . A 66 LEU HB2 . 34766 1 271 . 1 . 1 26 26 LEU HB3 H 1 1.215 0.020 . 2 . . . . A 66 LEU HB3 . 34766 1 272 . 1 . 1 26 26 LEU HG H 1 1.347 0.020 . 1 . . . . A 66 LEU HG . 34766 1 273 . 1 . 1 26 26 LEU HD11 H 1 0.553 0.020 . 2 . . . . A 66 LEU HD11 . 34766 1 274 . 1 . 1 26 26 LEU HD12 H 1 0.553 0.020 . 2 . . . . A 66 LEU HD12 . 34766 1 275 . 1 . 1 26 26 LEU HD13 H 1 0.553 0.020 . 2 . . . . A 66 LEU HD13 . 34766 1 276 . 1 . 1 26 26 LEU HD21 H 1 0.713 0.020 . 2 . . . . A 66 LEU HD21 . 34766 1 277 . 1 . 1 26 26 LEU HD22 H 1 0.713 0.020 . 2 . . . . A 66 LEU HD22 . 34766 1 278 . 1 . 1 26 26 LEU HD23 H 1 0.713 0.020 . 2 . . . . A 66 LEU HD23 . 34766 1 279 . 1 . 1 26 26 LEU CA C 13 53.423 0.300 . 1 . . . . A 66 LEU CA . 34766 1 280 . 1 . 1 26 26 LEU CB C 13 41.784 0.300 . 1 . . . . A 66 LEU CB . 34766 1 281 . 1 . 1 26 26 LEU CG C 13 26.996 0.300 . 1 . . . . A 66 LEU CG . 34766 1 282 . 1 . 1 26 26 LEU CD1 C 13 26.353 0.300 . 2 . . . . A 66 LEU CD1 . 34766 1 283 . 1 . 1 26 26 LEU CD2 C 13 24.693 0.300 . 2 . . . . A 66 LEU CD2 . 34766 1 284 . 1 . 1 26 26 LEU N N 15 115.766 0.300 . 1 . . . . A 66 LEU N . 34766 1 285 . 1 . 1 27 27 PRO HA H 1 4.497 0.020 . 1 . . . . A 67 PRO HA . 34766 1 286 . 1 . 1 27 27 PRO HB2 H 1 1.825 0.020 . 2 . . . . A 67 PRO HB2 . 34766 1 287 . 1 . 1 27 27 PRO HB3 H 1 2.367 0.020 . 2 . . . . A 67 PRO HB3 . 34766 1 288 . 1 . 1 27 27 PRO HG2 H 1 1.716 0.020 . 2 . . . . A 67 PRO HG2 . 34766 1 289 . 1 . 1 27 27 PRO HG3 H 1 1.957 0.020 . 2 . . . . A 67 PRO HG3 . 34766 1 290 . 1 . 1 27 27 PRO HD2 H 1 3.218 0.020 . 2 . . . . A 67 PRO HD2 . 34766 1 291 . 1 . 1 27 27 PRO HD3 H 1 3.716 0.020 . 2 . . . . A 67 PRO HD3 . 34766 1 292 . 1 . 1 27 27 PRO C C 13 177.794 0.300 . 1 . . . . A 67 PRO C . 34766 1 293 . 1 . 1 27 27 PRO CA C 13 62.289 0.300 . 1 . . . . A 67 PRO CA . 34766 1 294 . 1 . 1 27 27 PRO CB C 13 31.935 0.300 . 1 . . . . A 67 PRO CB . 34766 1 295 . 1 . 1 27 27 PRO CG C 13 27.534 0.300 . 1 . . . . A 67 PRO CG . 34766 1 296 . 1 . 1 27 27 PRO CD C 13 49.914 0.300 . 1 . . . . A 67 PRO CD . 34766 1 297 . 1 . 1 27 27 PRO N N 15 132.240 0.300 . 1 . . . . A 67 PRO N . 34766 1 298 . 1 . 1 28 28 ILE H H 1 8.502 0.020 . 1 . . . . A 68 ILE H . 34766 1 299 . 1 . 1 28 28 ILE HA H 1 3.890 0.020 . 1 . . . . A 68 ILE HA . 34766 1 300 . 1 . 1 28 28 ILE HB H 1 1.868 0.020 . 1 . . . . A 68 ILE HB . 34766 1 301 . 1 . 1 28 28 ILE HG12 H 1 1.503 0.020 . 2 . . . . A 68 ILE HG12 . 34766 1 302 . 1 . 1 28 28 ILE HG13 H 1 1.294 0.020 . 2 . . . . A 68 ILE HG13 . 34766 1 303 . 1 . 1 28 28 ILE HG21 H 1 0.968 0.020 . 1 . . . . A 68 ILE HG21 . 34766 1 304 . 1 . 1 28 28 ILE HG22 H 1 0.968 0.020 . 1 . . . . A 68 ILE HG22 . 34766 1 305 . 1 . 1 28 28 ILE HG23 H 1 0.968 0.020 . 1 . . . . A 68 ILE HG23 . 34766 1 306 . 1 . 1 28 28 ILE HD11 H 1 0.935 0.020 . 1 . . . . A 68 ILE HD11 . 34766 1 307 . 1 . 1 28 28 ILE HD12 H 1 0.935 0.020 . 1 . . . . A 68 ILE HD12 . 34766 1 308 . 1 . 1 28 28 ILE HD13 H 1 0.935 0.020 . 1 . . . . A 68 ILE HD13 . 34766 1 309 . 1 . 1 28 28 ILE C C 13 175.593 0.300 . 1 . . . . A 68 ILE C . 34766 1 310 . 1 . 1 28 28 ILE CA C 13 63.118 0.300 . 1 . . . . A 68 ILE CA . 34766 1 311 . 1 . 1 28 28 ILE CB C 13 38.398 0.300 . 1 . . . . A 68 ILE CB . 34766 1 312 . 1 . 1 28 28 ILE CG1 C 13 28.029 0.300 . 1 . . . . A 68 ILE CG1 . 34766 1 313 . 1 . 1 28 28 ILE CG2 C 13 17.484 0.300 . 1 . . . . A 68 ILE CG2 . 34766 1 314 . 1 . 1 28 28 ILE CD1 C 13 13.741 0.300 . 1 . . . . A 68 ILE CD1 . 34766 1 315 . 1 . 1 28 28 ILE N N 15 121.364 0.300 . 1 . . . . A 68 ILE N . 34766 1 316 . 1 . 1 29 29 ASP H H 1 8.345 0.020 . 1 . . . . A 69 ASP H . 34766 1 317 . 1 . 1 29 29 ASP HA H 1 4.556 0.020 . 1 . . . . A 69 ASP HA . 34766 1 318 . 1 . 1 29 29 ASP HB2 H 1 2.642 0.020 . 2 . . . . A 69 ASP HB2 . 34766 1 319 . 1 . 1 29 29 ASP HB3 H 1 2.891 0.020 . 2 . . . . A 69 ASP HB3 . 34766 1 320 . 1 . 1 29 29 ASP C C 13 175.663 0.300 . 1 . . . . A 69 ASP C . 34766 1 321 . 1 . 1 29 29 ASP CA C 13 53.341 0.300 . 1 . . . . A 69 ASP CA . 34766 1 322 . 1 . 1 29 29 ASP CB C 13 39.488 0.300 . 1 . . . . A 69 ASP CB . 34766 1 323 . 1 . 1 29 29 ASP N N 15 117.867 0.300 . 1 . . . . A 69 ASP N . 34766 1 324 . 1 . 1 30 30 VAL H H 1 6.982 0.020 . 1 . . . . A 70 VAL H . 34766 1 325 . 1 . 1 30 30 VAL HA H 1 4.035 0.020 . 1 . . . . A 70 VAL HA . 34766 1 326 . 1 . 1 30 30 VAL HB H 1 2.049 0.020 . 1 . . . . A 70 VAL HB . 34766 1 327 . 1 . 1 30 30 VAL HG11 H 1 0.776 0.020 . 2 . . . . A 70 VAL HG11 . 34766 1 328 . 1 . 1 30 30 VAL HG12 H 1 0.776 0.020 . 2 . . . . A 70 VAL HG12 . 34766 1 329 . 1 . 1 30 30 VAL HG13 H 1 0.776 0.020 . 2 . . . . A 70 VAL HG13 . 34766 1 330 . 1 . 1 30 30 VAL HG21 H 1 1.108 0.020 . 2 . . . . A 70 VAL HG21 . 34766 1 331 . 1 . 1 30 30 VAL HG22 H 1 1.108 0.020 . 2 . . . . A 70 VAL HG22 . 34766 1 332 . 1 . 1 30 30 VAL HG23 H 1 1.108 0.020 . 2 . . . . A 70 VAL HG23 . 34766 1 333 . 1 . 1 30 30 VAL C C 13 173.680 0.300 . 1 . . . . A 70 VAL C . 34766 1 334 . 1 . 1 30 30 VAL CA C 13 62.036 0.300 . 1 . . . . A 70 VAL CA . 34766 1 335 . 1 . 1 30 30 VAL CB C 13 31.864 0.300 . 1 . . . . A 70 VAL CB . 34766 1 336 . 1 . 1 30 30 VAL CG1 C 13 20.796 0.300 . 2 . . . . A 70 VAL CG1 . 34766 1 337 . 1 . 1 30 30 VAL CG2 C 13 23.232 0.300 . 2 . . . . A 70 VAL CG2 . 34766 1 338 . 1 . 1 30 30 VAL N N 15 118.013 0.300 . 1 . . . . A 70 VAL N . 34766 1 339 . 1 . 1 31 31 THR H H 1 8.189 0.020 . 1 . . . . A 71 THR H . 34766 1 340 . 1 . 1 31 31 THR HA H 1 4.697 0.020 . 1 . . . . A 71 THR HA . 34766 1 341 . 1 . 1 31 31 THR HB H 1 4.616 0.020 . 1 . . . . A 71 THR HB . 34766 1 342 . 1 . 1 31 31 THR HG21 H 1 1.286 0.020 . 1 . . . . A 71 THR HG21 . 34766 1 343 . 1 . 1 31 31 THR HG22 H 1 1.286 0.020 . 1 . . . . A 71 THR HG22 . 34766 1 344 . 1 . 1 31 31 THR HG23 H 1 1.286 0.020 . 1 . . . . A 71 THR HG23 . 34766 1 345 . 1 . 1 31 31 THR C C 13 175.673 0.300 . 1 . . . . A 71 THR C . 34766 1 346 . 1 . 1 31 31 THR CA C 13 60.086 0.300 . 1 . . . . A 71 THR CA . 34766 1 347 . 1 . 1 31 31 THR CB C 13 72.414 0.300 . 1 . . . . A 71 THR CB . 34766 1 348 . 1 . 1 31 31 THR CG2 C 13 21.885 0.300 . 1 . . . . A 71 THR CG2 . 34766 1 349 . 1 . 1 31 31 THR N N 15 115.996 0.300 . 1 . . . . A 71 THR N . 34766 1 350 . 1 . 1 32 32 GLU H H 1 9.439 0.020 . 1 . . . . A 72 GLU H . 34766 1 351 . 1 . 1 32 32 GLU HA H 1 3.908 0.020 . 1 . . . . A 72 GLU HA . 34766 1 352 . 1 . 1 32 32 GLU HB2 H 1 1.842 0.020 . 2 . . . . A 72 GLU HB2 . 34766 1 353 . 1 . 1 32 32 GLU HB3 H 1 2.063 0.020 . 2 . . . . A 72 GLU HB3 . 34766 1 354 . 1 . 1 32 32 GLU HG2 H 1 2.447 0.020 . 2 . . . . A 72 GLU HG2 . 34766 1 355 . 1 . 1 32 32 GLU HG3 H 1 2.378 0.020 . 2 . . . . A 72 GLU HG3 . 34766 1 356 . 1 . 1 32 32 GLU C C 13 178.875 0.300 . 1 . . . . A 72 GLU C . 34766 1 357 . 1 . 1 32 32 GLU CA C 13 60.964 0.300 . 1 . . . . A 72 GLU CA . 34766 1 358 . 1 . 1 32 32 GLU CB C 13 29.248 0.300 . 1 . . . . A 72 GLU CB . 34766 1 359 . 1 . 1 32 32 GLU CG C 13 37.618 0.300 . 1 . . . . A 72 GLU CG . 34766 1 360 . 1 . 1 32 32 GLU N N 15 121.412 0.300 . 1 . . . . A 72 GLU N . 34766 1 361 . 1 . 1 33 33 GLY H H 1 8.779 0.020 . 1 . . . . A 73 GLY H . 34766 1 362 . 1 . 1 33 33 GLY HA2 H 1 3.913 0.020 . 2 . . . . A 73 GLY HA2 . 34766 1 363 . 1 . 1 33 33 GLY HA3 H 1 3.750 0.020 . 2 . . . . A 73 GLY HA3 . 34766 1 364 . 1 . 1 33 33 GLY C C 13 177.140 0.300 . 1 . . . . A 73 GLY C . 34766 1 365 . 1 . 1 33 33 GLY CA C 13 47.148 0.300 . 1 . . . . A 73 GLY CA . 34766 1 366 . 1 . 1 33 33 GLY N N 15 104.635 0.300 . 1 . . . . A 73 GLY N . 34766 1 367 . 1 . 1 34 34 GLU H H 1 7.680 0.020 . 1 . . . . A 74 GLU H . 34766 1 368 . 1 . 1 34 34 GLU HA H 1 3.997 0.020 . 1 . . . . A 74 GLU HA . 34766 1 369 . 1 . 1 34 34 GLU HB2 H 1 2.412 0.020 . 2 . . . . A 74 GLU HB2 . 34766 1 370 . 1 . 1 34 34 GLU HB3 H 1 1.931 0.020 . 2 . . . . A 74 GLU HB3 . 34766 1 371 . 1 . 1 34 34 GLU HG2 H 1 2.281 0.020 . 2 . . . . A 74 GLU HG2 . 34766 1 372 . 1 . 1 34 34 GLU HG3 H 1 2.281 0.020 . 2 . . . . A 74 GLU HG3 . 34766 1 373 . 1 . 1 34 34 GLU C C 13 178.795 0.300 . 1 . . . . A 74 GLU C . 34766 1 374 . 1 . 1 34 34 GLU CA C 13 59.171 0.300 . 1 . . . . A 74 GLU CA . 34766 1 375 . 1 . 1 34 34 GLU CB C 13 30.929 0.300 . 1 . . . . A 74 GLU CB . 34766 1 376 . 1 . 1 34 34 GLU CG C 13 38.297 0.300 . 1 . . . . A 74 GLU CG . 34766 1 377 . 1 . 1 34 34 GLU N N 15 121.290 0.300 . 1 . . . . A 74 GLU N . 34766 1 378 . 1 . 1 35 35 VAL H H 1 7.459 0.020 . 1 . . . . A 75 VAL H . 34766 1 379 . 1 . 1 35 35 VAL HA H 1 3.485 0.020 . 1 . . . . A 75 VAL HA . 34766 1 380 . 1 . 1 35 35 VAL HB H 1 2.158 0.020 . 1 . . . . A 75 VAL HB . 34766 1 381 . 1 . 1 35 35 VAL HG11 H 1 0.735 0.020 . 2 . . . . A 75 VAL HG11 . 34766 1 382 . 1 . 1 35 35 VAL HG12 H 1 0.735 0.020 . 2 . . . . A 75 VAL HG12 . 34766 1 383 . 1 . 1 35 35 VAL HG13 H 1 0.735 0.020 . 2 . . . . A 75 VAL HG13 . 34766 1 384 . 1 . 1 35 35 VAL HG21 H 1 0.879 0.020 . 2 . . . . A 75 VAL HG21 . 34766 1 385 . 1 . 1 35 35 VAL HG22 H 1 0.879 0.020 . 2 . . . . A 75 VAL HG22 . 34766 1 386 . 1 . 1 35 35 VAL HG23 H 1 0.879 0.020 . 2 . . . . A 75 VAL HG23 . 34766 1 387 . 1 . 1 35 35 VAL C C 13 177.713 0.300 . 1 . . . . A 75 VAL C . 34766 1 388 . 1 . 1 35 35 VAL CA C 13 66.940 0.300 . 1 . . . . A 75 VAL CA . 34766 1 389 . 1 . 1 35 35 VAL CB C 13 31.267 0.300 . 1 . . . . A 75 VAL CB . 34766 1 390 . 1 . 1 35 35 VAL CG1 C 13 22.961 0.300 . 2 . . . . A 75 VAL CG1 . 34766 1 391 . 1 . 1 35 35 VAL CG2 C 13 24.070 0.300 . 2 . . . . A 75 VAL CG2 . 34766 1 392 . 1 . 1 35 35 VAL N N 15 119.104 0.300 . 1 . . . . A 75 VAL N . 34766 1 393 . 1 . 1 36 36 ILE H H 1 8.468 0.020 . 1 . . . . A 76 ILE H . 34766 1 394 . 1 . 1 36 36 ILE HA H 1 3.581 0.020 . 1 . . . . A 76 ILE HA . 34766 1 395 . 1 . 1 36 36 ILE HB H 1 1.879 0.020 . 1 . . . . A 76 ILE HB . 34766 1 396 . 1 . 1 36 36 ILE HG12 H 1 1.013 0.020 . 2 . . . . A 76 ILE HG12 . 34766 1 397 . 1 . 1 36 36 ILE HG13 H 1 1.823 0.020 . 2 . . . . A 76 ILE HG13 . 34766 1 398 . 1 . 1 36 36 ILE HG21 H 1 0.992 0.020 . 1 . . . . A 76 ILE HG21 . 34766 1 399 . 1 . 1 36 36 ILE HG22 H 1 0.992 0.020 . 1 . . . . A 76 ILE HG22 . 34766 1 400 . 1 . 1 36 36 ILE HG23 H 1 0.992 0.020 . 1 . . . . A 76 ILE HG23 . 34766 1 401 . 1 . 1 36 36 ILE HD11 H 1 0.840 0.020 . 1 . . . . A 76 ILE HD11 . 34766 1 402 . 1 . 1 36 36 ILE HD12 H 1 0.840 0.020 . 1 . . . . A 76 ILE HD12 . 34766 1 403 . 1 . 1 36 36 ILE HD13 H 1 0.840 0.020 . 1 . . . . A 76 ILE HD13 . 34766 1 404 . 1 . 1 36 36 ILE C C 13 179.103 0.300 . 1 . . . . A 76 ILE C . 34766 1 405 . 1 . 1 36 36 ILE CA C 13 65.964 0.300 . 1 . . . . A 76 ILE CA . 34766 1 406 . 1 . 1 36 36 ILE CB C 13 38.413 0.300 . 1 . . . . A 76 ILE CB . 34766 1 407 . 1 . 1 36 36 ILE CG1 C 13 30.645 0.300 . 1 . . . . A 76 ILE CG1 . 34766 1 408 . 1 . 1 36 36 ILE CG2 C 13 17.564 0.300 . 1 . . . . A 76 ILE CG2 . 34766 1 409 . 1 . 1 36 36 ILE CD1 C 13 13.862 0.300 . 1 . . . . A 76 ILE CD1 . 34766 1 410 . 1 . 1 36 36 ILE N N 15 118.383 0.300 . 1 . . . . A 76 ILE N . 34766 1 411 . 1 . 1 37 37 SER H H 1 7.930 0.020 . 1 . . . . A 77 SER H . 34766 1 412 . 1 . 1 37 37 SER HA H 1 4.106 0.020 . 1 . . . . A 77 SER HA . 34766 1 413 . 1 . 1 37 37 SER HB2 H 1 4.068 0.020 . 2 . . . . A 77 SER HB2 . 34766 1 414 . 1 . 1 37 37 SER HB3 H 1 4.033 0.020 . 2 . . . . A 77 SER HB3 . 34766 1 415 . 1 . 1 37 37 SER HG H 1 6.061 0.020 . 1 . . . . A 77 SER HG . 34766 1 416 . 1 . 1 37 37 SER C C 13 175.475 0.300 . 1 . . . . A 77 SER C . 34766 1 417 . 1 . 1 37 37 SER CA C 13 62.077 0.300 . 1 . . . . A 77 SER CA . 34766 1 418 . 1 . 1 37 37 SER CB C 13 62.966 0.300 . 1 . . . . A 77 SER CB . 34766 1 419 . 1 . 1 37 37 SER N N 15 113.961 0.300 . 1 . . . . A 77 SER N . 34766 1 420 . 1 . 1 38 38 LEU H H 1 7.514 0.020 . 1 . . . . A 78 LEU H . 34766 1 421 . 1 . 1 38 38 LEU HA H 1 4.318 0.020 . 1 . . . . A 78 LEU HA . 34766 1 422 . 1 . 1 38 38 LEU HB2 H 1 1.241 0.020 . 2 . . . . A 78 LEU HB2 . 34766 1 423 . 1 . 1 38 38 LEU HB3 H 1 2.022 0.020 . 2 . . . . A 78 LEU HB3 . 34766 1 424 . 1 . 1 38 38 LEU HG H 1 1.995 0.020 . 1 . . . . A 78 LEU HG . 34766 1 425 . 1 . 1 38 38 LEU HD11 H 1 0.757 0.020 . 2 . . . . A 78 LEU HD11 . 34766 1 426 . 1 . 1 38 38 LEU HD12 H 1 0.757 0.020 . 2 . . . . A 78 LEU HD12 . 34766 1 427 . 1 . 1 38 38 LEU HD13 H 1 0.757 0.020 . 2 . . . . A 78 LEU HD13 . 34766 1 428 . 1 . 1 38 38 LEU HD21 H 1 0.779 0.020 . 2 . . . . A 78 LEU HD21 . 34766 1 429 . 1 . 1 38 38 LEU HD22 H 1 0.779 0.020 . 2 . . . . A 78 LEU HD22 . 34766 1 430 . 1 . 1 38 38 LEU HD23 H 1 0.779 0.020 . 2 . . . . A 78 LEU HD23 . 34766 1 431 . 1 . 1 38 38 LEU C C 13 179.747 0.300 . 1 . . . . A 78 LEU C . 34766 1 432 . 1 . 1 38 38 LEU CA C 13 56.879 0.300 . 1 . . . . A 78 LEU CA . 34766 1 433 . 1 . 1 38 38 LEU CB C 13 42.761 0.300 . 1 . . . . A 78 LEU CB . 34766 1 434 . 1 . 1 38 38 LEU CG C 13 26.392 0.300 . 1 . . . . A 78 LEU CG . 34766 1 435 . 1 . 1 38 38 LEU CD1 C 13 26.492 0.300 . 2 . . . . A 78 LEU CD1 . 34766 1 436 . 1 . 1 38 38 LEU CD2 C 13 22.198 0.300 . 2 . . . . A 78 LEU CD2 . 34766 1 437 . 1 . 1 38 38 LEU N N 15 119.846 0.300 . 1 . . . . A 78 LEU N . 34766 1 438 . 1 . 1 39 39 GLY H H 1 7.963 0.020 . 1 . . . . A 79 GLY H . 34766 1 439 . 1 . 1 39 39 GLY HA2 H 1 5.054 0.020 . 2 . . . . A 79 GLY HA2 . 34766 1 440 . 1 . 1 39 39 GLY HA3 H 1 3.433 0.020 . 2 . . . . A 79 GLY HA3 . 34766 1 441 . 1 . 1 39 39 GLY C C 13 173.730 0.300 . 1 . . . . A 79 GLY C . 34766 1 442 . 1 . 1 39 39 GLY CA C 13 46.058 0.300 . 1 . . . . A 79 GLY CA . 34766 1 443 . 1 . 1 39 39 GLY N N 15 102.320 0.300 . 1 . . . . A 79 GLY N . 34766 1 444 . 1 . 1 40 40 LEU H H 1 7.167 0.020 . 1 . . . . A 80 LEU H . 34766 1 445 . 1 . 1 40 40 LEU HA H 1 4.666 0.020 . 1 . . . . A 80 LEU HA . 34766 1 446 . 1 . 1 40 40 LEU HB2 H 1 1.851 0.020 . 2 . . . . A 80 LEU HB2 . 34766 1 447 . 1 . 1 40 40 LEU HB3 H 1 1.561 0.020 . 2 . . . . A 80 LEU HB3 . 34766 1 448 . 1 . 1 40 40 LEU HG H 1 1.929 0.020 . 1 . . . . A 80 LEU HG . 34766 1 449 . 1 . 1 40 40 LEU HD11 H 1 0.967 0.020 . 2 . . . . A 80 LEU HD11 . 34766 1 450 . 1 . 1 40 40 LEU HD12 H 1 0.967 0.020 . 2 . . . . A 80 LEU HD12 . 34766 1 451 . 1 . 1 40 40 LEU HD13 H 1 0.967 0.020 . 2 . . . . A 80 LEU HD13 . 34766 1 452 . 1 . 1 40 40 LEU HD21 H 1 0.974 0.020 . 2 . . . . A 80 LEU HD21 . 34766 1 453 . 1 . 1 40 40 LEU HD22 H 1 0.974 0.020 . 2 . . . . A 80 LEU HD22 . 34766 1 454 . 1 . 1 40 40 LEU HD23 H 1 0.974 0.020 . 2 . . . . A 80 LEU HD23 . 34766 1 455 . 1 . 1 40 40 LEU CA C 13 57.968 0.300 . 1 . . . . A 80 LEU CA . 34766 1 456 . 1 . 1 40 40 LEU CB C 13 40.209 0.300 . 1 . . . . A 80 LEU CB . 34766 1 457 . 1 . 1 40 40 LEU CG C 13 26.150 0.300 . 1 . . . . A 80 LEU CG . 34766 1 458 . 1 . 1 40 40 LEU CD1 C 13 25.439 0.300 . 2 . . . . A 80 LEU CD1 . 34766 1 459 . 1 . 1 40 40 LEU CD2 C 13 22.479 0.300 . 2 . . . . A 80 LEU CD2 . 34766 1 460 . 1 . 1 40 40 LEU N N 15 119.894 0.300 . 1 . . . . A 80 LEU N . 34766 1 461 . 1 . 1 41 41 PRO HA H 1 4.086 0.020 . 1 . . . . A 81 PRO HA . 34766 1 462 . 1 . 1 41 41 PRO HB2 H 1 -0.041 0.020 . 2 . . . . A 81 PRO HB2 . 34766 1 463 . 1 . 1 41 41 PRO HB3 H 1 1.760 0.020 . 2 . . . . A 81 PRO HB3 . 34766 1 464 . 1 . 1 41 41 PRO HG2 H 1 1.662 0.020 . 2 . . . . A 81 PRO HG2 . 34766 1 465 . 1 . 1 41 41 PRO HG3 H 1 1.718 0.020 . 2 . . . . A 81 PRO HG3 . 34766 1 466 . 1 . 1 41 41 PRO HD2 H 1 3.136 0.020 . 2 . . . . A 81 PRO HD2 . 34766 1 467 . 1 . 1 41 41 PRO HD3 H 1 3.791 0.020 . 2 . . . . A 81 PRO HD3 . 34766 1 468 . 1 . 1 41 41 PRO C C 13 176.654 0.300 . 1 . . . . A 81 PRO C . 34766 1 469 . 1 . 1 41 41 PRO CA C 13 64.713 0.300 . 1 . . . . A 81 PRO CA . 34766 1 470 . 1 . 1 41 41 PRO CB C 13 30.613 0.300 . 1 . . . . A 81 PRO CB . 34766 1 471 . 1 . 1 41 41 PRO CG C 13 28.142 0.300 . 1 . . . . A 81 PRO CG . 34766 1 472 . 1 . 1 41 41 PRO CD C 13 51.248 0.300 . 1 . . . . A 81 PRO CD . 34766 1 473 . 1 . 1 41 41 PRO N N 15 132.667 0.300 . 1 . . . . A 81 PRO N . 34766 1 474 . 1 . 1 42 42 PHE H H 1 7.795 0.020 . 1 . . . . A 82 PHE H . 34766 1 475 . 1 . 1 42 42 PHE HA H 1 4.458 0.020 . 1 . . . . A 82 PHE HA . 34766 1 476 . 1 . 1 42 42 PHE HB2 H 1 2.766 0.020 . 2 . . . . A 82 PHE HB2 . 34766 1 477 . 1 . 1 42 42 PHE HB3 H 1 3.498 0.020 . 2 . . . . A 82 PHE HB3 . 34766 1 478 . 1 . 1 42 42 PHE HD1 H 1 7.292 0.020 . 1 . . . . A 82 PHE HD1 . 34766 1 479 . 1 . 1 42 42 PHE HD2 H 1 7.292 0.020 . 1 . . . . A 82 PHE HD2 . 34766 1 480 . 1 . 1 42 42 PHE HE1 H 1 7.128 0.020 . 1 . . . . A 82 PHE HE1 . 34766 1 481 . 1 . 1 42 42 PHE HE2 H 1 7.128 0.020 . 1 . . . . A 82 PHE HE2 . 34766 1 482 . 1 . 1 42 42 PHE HZ H 1 6.169 0.020 . 1 . . . . A 82 PHE HZ . 34766 1 483 . 1 . 1 42 42 PHE C C 13 175.197 0.300 . 1 . . . . A 82 PHE C . 34766 1 484 . 1 . 1 42 42 PHE CA C 13 57.859 0.300 . 1 . . . . A 82 PHE CA . 34766 1 485 . 1 . 1 42 42 PHE CB C 13 40.736 0.300 . 1 . . . . A 82 PHE CB . 34766 1 486 . 1 . 1 42 42 PHE CD1 C 13 131.763 0.300 . 1 . . . . A 82 PHE CD1 . 34766 1 487 . 1 . 1 42 42 PHE CE1 C 13 131.377 0.300 . 1 . . . . A 82 PHE CE1 . 34766 1 488 . 1 . 1 42 42 PHE CZ C 13 129.564 0.300 . 1 . . . . A 82 PHE CZ . 34766 1 489 . 1 . 1 42 42 PHE N N 15 112.200 0.300 . 1 . . . . A 82 PHE N . 34766 1 490 . 1 . 1 43 43 GLY H H 1 7.609 0.020 . 1 . . . . A 83 GLY H . 34766 1 491 . 1 . 1 43 43 GLY HA2 H 1 4.073 0.020 . 2 . . . . A 83 GLY HA2 . 34766 1 492 . 1 . 1 43 43 GLY HA3 H 1 3.978 0.020 . 2 . . . . A 83 GLY HA3 . 34766 1 493 . 1 . 1 43 43 GLY C C 13 170.253 0.300 . 1 . . . . A 83 GLY C . 34766 1 494 . 1 . 1 43 43 GLY CA C 13 45.793 0.300 . 1 . . . . A 83 GLY CA . 34766 1 495 . 1 . 1 43 43 GLY N N 15 106.635 0.300 . 1 . . . . A 83 GLY N . 34766 1 496 . 1 . 1 44 44 LYS H H 1 7.512 0.020 . 1 . . . . A 84 LYS H . 34766 1 497 . 1 . 1 44 44 LYS HA H 1 4.465 0.020 . 1 . . . . A 84 LYS HA . 34766 1 498 . 1 . 1 44 44 LYS HB2 H 1 1.669 0.020 . 2 . . . . A 84 LYS HB2 . 34766 1 499 . 1 . 1 44 44 LYS HB3 H 1 1.517 0.020 . 2 . . . . A 84 LYS HB3 . 34766 1 500 . 1 . 1 44 44 LYS HG2 H 1 1.285 0.020 . 2 . . . . A 84 LYS HG2 . 34766 1 501 . 1 . 1 44 44 LYS HG3 H 1 1.457 0.020 . 2 . . . . A 84 LYS HG3 . 34766 1 502 . 1 . 1 44 44 LYS HD2 H 1 1.639 0.020 . 2 . . . . A 84 LYS HD2 . 34766 1 503 . 1 . 1 44 44 LYS HD3 H 1 1.639 0.020 . 2 . . . . A 84 LYS HD3 . 34766 1 504 . 1 . 1 44 44 LYS HE2 H 1 2.962 0.020 . 2 . . . . A 84 LYS HE2 . 34766 1 505 . 1 . 1 44 44 LYS HE3 H 1 2.962 0.020 . 2 . . . . A 84 LYS HE3 . 34766 1 506 . 1 . 1 44 44 LYS C C 13 175.108 0.300 . 1 . . . . A 84 LYS C . 34766 1 507 . 1 . 1 44 44 LYS CA C 13 54.979 0.300 . 1 . . . . A 84 LYS CA . 34766 1 508 . 1 . 1 44 44 LYS CB C 13 34.173 0.300 . 1 . . . . A 84 LYS CB . 34766 1 509 . 1 . 1 44 44 LYS CG C 13 25.031 0.300 . 1 . . . . A 84 LYS CG . 34766 1 510 . 1 . 1 44 44 LYS CD C 13 29.196 0.300 . 1 . . . . A 84 LYS CD . 34766 1 511 . 1 . 1 44 44 LYS CE C 13 42.245 0.300 . 1 . . . . A 84 LYS CE . 34766 1 512 . 1 . 1 44 44 LYS N N 15 118.569 0.300 . 1 . . . . A 84 LYS N . 34766 1 513 . 1 . 1 45 45 VAL H H 1 8.207 0.020 . 1 . . . . A 85 VAL H . 34766 1 514 . 1 . 1 45 45 VAL HA H 1 4.645 0.020 . 1 . . . . A 85 VAL HA . 34766 1 515 . 1 . 1 45 45 VAL HB H 1 2.041 0.020 . 1 . . . . A 85 VAL HB . 34766 1 516 . 1 . 1 45 45 VAL HG11 H 1 1.018 0.020 . 2 . . . . A 85 VAL HG11 . 34766 1 517 . 1 . 1 45 45 VAL HG12 H 1 1.018 0.020 . 2 . . . . A 85 VAL HG12 . 34766 1 518 . 1 . 1 45 45 VAL HG13 H 1 1.018 0.020 . 2 . . . . A 85 VAL HG13 . 34766 1 519 . 1 . 1 45 45 VAL HG21 H 1 1.137 0.020 . 2 . . . . A 85 VAL HG21 . 34766 1 520 . 1 . 1 45 45 VAL HG22 H 1 1.137 0.020 . 2 . . . . A 85 VAL HG22 . 34766 1 521 . 1 . 1 45 45 VAL HG23 H 1 1.137 0.020 . 2 . . . . A 85 VAL HG23 . 34766 1 522 . 1 . 1 45 45 VAL C C 13 177.130 0.300 . 1 . . . . A 85 VAL C . 34766 1 523 . 1 . 1 45 45 VAL CA C 13 61.940 0.300 . 1 . . . . A 85 VAL CA . 34766 1 524 . 1 . 1 45 45 VAL CB C 13 32.205 0.300 . 1 . . . . A 85 VAL CB . 34766 1 525 . 1 . 1 45 45 VAL CG1 C 13 21.976 0.300 . 2 . . . . A 85 VAL CG1 . 34766 1 526 . 1 . 1 45 45 VAL CG2 C 13 21.204 0.300 . 2 . . . . A 85 VAL CG2 . 34766 1 527 . 1 . 1 45 45 VAL N N 15 125.197 0.300 . 1 . . . . A 85 VAL N . 34766 1 528 . 1 . 1 46 46 THR H H 1 9.229 0.020 . 1 . . . . A 86 THR H . 34766 1 529 . 1 . 1 46 46 THR HA H 1 4.281 0.020 . 1 . . . . A 86 THR HA . 34766 1 530 . 1 . 1 46 46 THR HB H 1 4.222 0.020 . 1 . . . . A 86 THR HB . 34766 1 531 . 1 . 1 46 46 THR HG1 H 1 5.765 0.020 . 1 . . . . A 86 THR HG1 . 34766 1 532 . 1 . 1 46 46 THR HG21 H 1 1.062 0.020 . 1 . . . . A 86 THR HG21 . 34766 1 533 . 1 . 1 46 46 THR HG22 H 1 1.062 0.020 . 1 . . . . A 86 THR HG22 . 34766 1 534 . 1 . 1 46 46 THR HG23 H 1 1.062 0.020 . 1 . . . . A 86 THR HG23 . 34766 1 535 . 1 . 1 46 46 THR C C 13 175.336 0.300 . 1 . . . . A 86 THR C . 34766 1 536 . 1 . 1 46 46 THR CA C 13 62.915 0.300 . 1 . . . . A 86 THR CA . 34766 1 537 . 1 . 1 46 46 THR CB C 13 68.501 0.300 . 1 . . . . A 86 THR CB . 34766 1 538 . 1 . 1 46 46 THR CG2 C 13 22.620 0.300 . 1 . . . . A 86 THR CG2 . 34766 1 539 . 1 . 1 46 46 THR N N 15 120.154 0.300 . 1 . . . . A 86 THR N . 34766 1 540 . 1 . 1 47 47 ASN H H 1 7.817 0.020 . 1 . . . . A 87 ASN H . 34766 1 541 . 1 . 1 47 47 ASN HA H 1 4.815 0.020 . 1 . . . . A 87 ASN HA . 34766 1 542 . 1 . 1 47 47 ASN HB2 H 1 2.867 0.020 . 2 . . . . A 87 ASN HB2 . 34766 1 543 . 1 . 1 47 47 ASN HB3 H 1 2.415 0.020 . 2 . . . . A 87 ASN HB3 . 34766 1 544 . 1 . 1 47 47 ASN HD21 H 1 7.890 0.020 . 2 . . . . A 87 ASN HD21 . 34766 1 545 . 1 . 1 47 47 ASN HD22 H 1 6.805 0.020 . 2 . . . . A 87 ASN HD22 . 34766 1 546 . 1 . 1 47 47 ASN C C 13 172.084 0.300 . 1 . . . . A 87 ASN C . 34766 1 547 . 1 . 1 47 47 ASN CA C 13 53.160 0.300 . 1 . . . . A 87 ASN CA . 34766 1 548 . 1 . 1 47 47 ASN CB C 13 42.149 0.300 . 1 . . . . A 87 ASN CB . 34766 1 549 . 1 . 1 47 47 ASN N N 15 117.831 0.300 . 1 . . . . A 87 ASN N . 34766 1 550 . 1 . 1 47 47 ASN ND2 N 15 112.617 0.300 . 1 . . . . A 87 ASN ND2 . 34766 1 551 . 1 . 1 48 48 LEU H H 1 8.446 0.020 . 1 . . . . A 88 LEU H . 34766 1 552 . 1 . 1 48 48 LEU HA H 1 5.060 0.020 . 1 . . . . A 88 LEU HA . 34766 1 553 . 1 . 1 48 48 LEU HB2 H 1 1.398 0.020 . 2 . . . . A 88 LEU HB2 . 34766 1 554 . 1 . 1 48 48 LEU HB3 H 1 1.703 0.020 . 2 . . . . A 88 LEU HB3 . 34766 1 555 . 1 . 1 48 48 LEU HG H 1 1.430 0.020 . 1 . . . . A 88 LEU HG . 34766 1 556 . 1 . 1 48 48 LEU HD11 H 1 0.880 0.020 . 2 . . . . A 88 LEU HD11 . 34766 1 557 . 1 . 1 48 48 LEU HD12 H 1 0.880 0.020 . 2 . . . . A 88 LEU HD12 . 34766 1 558 . 1 . 1 48 48 LEU HD13 H 1 0.880 0.020 . 2 . . . . A 88 LEU HD13 . 34766 1 559 . 1 . 1 48 48 LEU HD21 H 1 0.937 0.020 . 2 . . . . A 88 LEU HD21 . 34766 1 560 . 1 . 1 48 48 LEU HD22 H 1 0.937 0.020 . 2 . . . . A 88 LEU HD22 . 34766 1 561 . 1 . 1 48 48 LEU HD23 H 1 0.937 0.020 . 2 . . . . A 88 LEU HD23 . 34766 1 562 . 1 . 1 48 48 LEU C C 13 173.660 0.300 . 1 . . . . A 88 LEU C . 34766 1 563 . 1 . 1 48 48 LEU CA C 13 54.489 0.300 . 1 . . . . A 88 LEU CA . 34766 1 564 . 1 . 1 48 48 LEU CB C 13 45.735 0.300 . 1 . . . . A 88 LEU CB . 34766 1 565 . 1 . 1 48 48 LEU CG C 13 27.876 0.300 . 1 . . . . A 88 LEU CG . 34766 1 566 . 1 . 1 48 48 LEU CD1 C 13 25.123 0.300 . 2 . . . . A 88 LEU CD1 . 34766 1 567 . 1 . 1 48 48 LEU CD2 C 13 26.570 0.300 . 2 . . . . A 88 LEU CD2 . 34766 1 568 . 1 . 1 48 48 LEU N N 15 122.310 0.300 . 1 . . . . A 88 LEU N . 34766 1 569 . 1 . 1 49 49 LEU H H 1 9.124 0.020 . 1 . . . . A 89 LEU H . 34766 1 570 . 1 . 1 49 49 LEU HA H 1 4.797 0.020 . 1 . . . . A 89 LEU HA . 34766 1 571 . 1 . 1 49 49 LEU HB2 H 1 1.442 0.020 . 2 . . . . A 89 LEU HB2 . 34766 1 572 . 1 . 1 49 49 LEU HB3 H 1 1.871 0.020 . 2 . . . . A 89 LEU HB3 . 34766 1 573 . 1 . 1 49 49 LEU HG H 1 1.455 0.020 . 1 . . . . A 89 LEU HG . 34766 1 574 . 1 . 1 49 49 LEU HD11 H 1 0.963 0.020 . 2 . . . . A 89 LEU HD11 . 34766 1 575 . 1 . 1 49 49 LEU HD12 H 1 0.963 0.020 . 2 . . . . A 89 LEU HD12 . 34766 1 576 . 1 . 1 49 49 LEU HD13 H 1 0.963 0.020 . 2 . . . . A 89 LEU HD13 . 34766 1 577 . 1 . 1 49 49 LEU HD21 H 1 0.823 0.020 . 2 . . . . A 89 LEU HD21 . 34766 1 578 . 1 . 1 49 49 LEU HD22 H 1 0.823 0.020 . 2 . . . . A 89 LEU HD22 . 34766 1 579 . 1 . 1 49 49 LEU HD23 H 1 0.823 0.020 . 2 . . . . A 89 LEU HD23 . 34766 1 580 . 1 . 1 49 49 LEU C C 13 175.048 0.300 . 1 . . . . A 89 LEU C . 34766 1 581 . 1 . 1 49 49 LEU CA C 13 54.284 0.300 . 1 . . . . A 89 LEU CA . 34766 1 582 . 1 . 1 49 49 LEU CB C 13 45.671 0.300 . 1 . . . . A 89 LEU CB . 34766 1 583 . 1 . 1 49 49 LEU CG C 13 27.844 0.300 . 1 . . . . A 89 LEU CG . 34766 1 584 . 1 . 1 49 49 LEU CD1 C 13 23.719 0.300 . 2 . . . . A 89 LEU CD1 . 34766 1 585 . 1 . 1 49 49 LEU CD2 C 13 25.660 0.300 . 2 . . . . A 89 LEU CD2 . 34766 1 586 . 1 . 1 49 49 LEU N N 15 127.245 0.300 . 1 . . . . A 89 LEU N . 34766 1 587 . 1 . 1 50 50 MET H H 1 9.251 0.020 . 1 . . . . A 90 MET H . 34766 1 588 . 1 . 1 50 50 MET HA H 1 4.735 0.020 . 1 . . . . A 90 MET HA . 34766 1 589 . 1 . 1 50 50 MET HB2 H 1 2.088 0.020 . 2 . . . . A 90 MET HB2 . 34766 1 590 . 1 . 1 50 50 MET HB3 H 1 2.088 0.020 . 2 . . . . A 90 MET HB3 . 34766 1 591 . 1 . 1 50 50 MET HG2 H 1 2.687 0.020 . 2 . . . . A 90 MET HG2 . 34766 1 592 . 1 . 1 50 50 MET HG3 H 1 2.473 0.020 . 2 . . . . A 90 MET HG3 . 34766 1 593 . 1 . 1 50 50 MET HE1 H 1 1.888 0.020 . 1 . . . . A 90 MET HE1 . 34766 1 594 . 1 . 1 50 50 MET HE2 H 1 1.888 0.020 . 1 . . . . A 90 MET HE2 . 34766 1 595 . 1 . 1 50 50 MET HE3 H 1 1.888 0.020 . 1 . . . . A 90 MET HE3 . 34766 1 596 . 1 . 1 50 50 MET C C 13 175.417 0.300 . 1 . . . . A 90 MET C . 34766 1 597 . 1 . 1 50 50 MET CA C 13 54.269 0.300 . 1 . . . . A 90 MET CA . 34766 1 598 . 1 . 1 50 50 MET CB C 13 33.169 0.300 . 1 . . . . A 90 MET CB . 34766 1 599 . 1 . 1 50 50 MET CG C 13 32.318 0.300 . 1 . . . . A 90 MET CG . 34766 1 600 . 1 . 1 50 50 MET CE C 13 17.028 0.300 . 1 . . . . A 90 MET CE . 34766 1 601 . 1 . 1 50 50 MET N N 15 125.989 0.300 . 1 . . . . A 90 MET N . 34766 1 602 . 1 . 1 51 51 LEU H H 1 8.446 0.020 . 1 . . . . A 91 LEU H . 34766 1 603 . 1 . 1 51 51 LEU HA H 1 4.779 0.020 . 1 . . . . A 91 LEU HA . 34766 1 604 . 1 . 1 51 51 LEU HB2 H 1 1.490 0.020 . 2 . . . . A 91 LEU HB2 . 34766 1 605 . 1 . 1 51 51 LEU HB3 H 1 1.614 0.020 . 2 . . . . A 91 LEU HB3 . 34766 1 606 . 1 . 1 51 51 LEU HG H 1 1.567 0.020 . 1 . . . . A 91 LEU HG . 34766 1 607 . 1 . 1 51 51 LEU HD11 H 1 0.931 0.020 . 2 . . . . A 91 LEU HD11 . 34766 1 608 . 1 . 1 51 51 LEU HD12 H 1 0.931 0.020 . 2 . . . . A 91 LEU HD12 . 34766 1 609 . 1 . 1 51 51 LEU HD13 H 1 0.931 0.020 . 2 . . . . A 91 LEU HD13 . 34766 1 610 . 1 . 1 51 51 LEU HD21 H 1 0.931 0.020 . 2 . . . . A 91 LEU HD21 . 34766 1 611 . 1 . 1 51 51 LEU HD22 H 1 0.931 0.020 . 2 . . . . A 91 LEU HD22 . 34766 1 612 . 1 . 1 51 51 LEU HD23 H 1 0.931 0.020 . 2 . . . . A 91 LEU HD23 . 34766 1 613 . 1 . 1 51 51 LEU C C 13 177.100 0.300 . 1 . . . . A 91 LEU C . 34766 1 614 . 1 . 1 51 51 LEU CA C 13 53.506 0.300 . 1 . . . . A 91 LEU CA . 34766 1 615 . 1 . 1 51 51 LEU CB C 13 41.110 0.300 . 1 . . . . A 91 LEU CB . 34766 1 616 . 1 . 1 51 51 LEU CG C 13 27.360 0.300 . 1 . . . . A 91 LEU CG . 34766 1 617 . 1 . 1 51 51 LEU CD1 C 13 25.825 0.300 . 2 . . . . A 91 LEU CD1 . 34766 1 618 . 1 . 1 51 51 LEU CD2 C 13 24.315 0.300 . 2 . . . . A 91 LEU CD2 . 34766 1 619 . 1 . 1 51 51 LEU N N 15 127.266 0.300 . 1 . . . . A 91 LEU N . 34766 1 620 . 1 . 1 52 52 LYS H H 1 8.458 0.020 . 1 . . . . A 92 LYS H . 34766 1 621 . 1 . 1 52 52 LYS HA H 1 4.104 0.020 . 1 . . . . A 92 LYS HA . 34766 1 622 . 1 . 1 52 52 LYS HB2 H 1 1.886 0.020 . 2 . . . . A 92 LYS HB2 . 34766 1 623 . 1 . 1 52 52 LYS HB3 H 1 1.850 0.020 . 2 . . . . A 92 LYS HB3 . 34766 1 624 . 1 . 1 52 52 LYS HG2 H 1 1.563 0.020 . 2 . . . . A 92 LYS HG2 . 34766 1 625 . 1 . 1 52 52 LYS HG3 H 1 1.458 0.020 . 2 . . . . A 92 LYS HG3 . 34766 1 626 . 1 . 1 52 52 LYS HD2 H 1 1.765 0.020 . 2 . . . . A 92 LYS HD2 . 34766 1 627 . 1 . 1 52 52 LYS HD3 H 1 1.765 0.020 . 2 . . . . A 92 LYS HD3 . 34766 1 628 . 1 . 1 52 52 LYS HE2 H 1 3.035 0.020 . 2 . . . . A 92 LYS HE2 . 34766 1 629 . 1 . 1 52 52 LYS HE3 H 1 3.035 0.020 . 2 . . . . A 92 LYS HE3 . 34766 1 630 . 1 . 1 52 52 LYS C C 13 179.361 0.300 . 1 . . . . A 92 LYS C . 34766 1 631 . 1 . 1 52 52 LYS CA C 13 59.631 0.300 . 1 . . . . A 92 LYS CA . 34766 1 632 . 1 . 1 52 52 LYS CB C 13 32.247 0.300 . 1 . . . . A 92 LYS CB . 34766 1 633 . 1 . 1 52 52 LYS CG C 13 25.483 0.300 . 1 . . . . A 92 LYS CG . 34766 1 634 . 1 . 1 52 52 LYS CD C 13 29.293 0.300 . 1 . . . . A 92 LYS CD . 34766 1 635 . 1 . 1 52 52 LYS CE C 13 42.189 0.300 . 1 . . . . A 92 LYS CE . 34766 1 636 . 1 . 1 52 52 LYS N N 15 124.607 0.300 . 1 . . . . A 92 LYS N . 34766 1 637 . 1 . 1 53 53 GLY HA2 H 1 3.925 0.020 . 2 . . . . A 93 GLY HA2 . 34766 1 638 . 1 . 1 53 53 GLY HA3 H 1 4.027 0.020 . 2 . . . . A 93 GLY HA3 . 34766 1 639 . 1 . 1 53 53 GLY C C 13 174.553 0.300 . 1 . . . . A 93 GLY C . 34766 1 640 . 1 . 1 53 53 GLY CA C 13 45.995 0.300 . 1 . . . . A 93 GLY CA . 34766 1 641 . 1 . 1 53 53 GLY N N 15 109.030 0.300 . 1 . . . . A 93 GLY N . 34766 1 642 . 1 . 1 54 54 LYS H H 1 7.464 0.020 . 1 . . . . A 94 LYS H . 34766 1 643 . 1 . 1 54 54 LYS HA H 1 4.642 0.020 . 1 . . . . A 94 LYS HA . 34766 1 644 . 1 . 1 54 54 LYS HB2 H 1 2.084 0.020 . 2 . . . . A 94 LYS HB2 . 34766 1 645 . 1 . 1 54 54 LYS HB3 H 1 1.553 0.020 . 2 . . . . A 94 LYS HB3 . 34766 1 646 . 1 . 1 54 54 LYS HG2 H 1 1.449 0.020 . 2 . . . . A 94 LYS HG2 . 34766 1 647 . 1 . 1 54 54 LYS HG3 H 1 1.375 0.020 . 2 . . . . A 94 LYS HG3 . 34766 1 648 . 1 . 1 54 54 LYS HD2 H 1 1.655 0.020 . 2 . . . . A 94 LYS HD2 . 34766 1 649 . 1 . 1 54 54 LYS HD3 H 1 1.675 0.020 . 2 . . . . A 94 LYS HD3 . 34766 1 650 . 1 . 1 54 54 LYS HE2 H 1 3.007 0.020 . 2 . . . . A 94 LYS HE2 . 34766 1 651 . 1 . 1 54 54 LYS HE3 H 1 3.007 0.020 . 2 . . . . A 94 LYS HE3 . 34766 1 652 . 1 . 1 54 54 LYS C C 13 176.060 0.300 . 1 . . . . A 94 LYS C . 34766 1 653 . 1 . 1 54 54 LYS CA C 13 54.787 0.300 . 1 . . . . A 94 LYS CA . 34766 1 654 . 1 . 1 54 54 LYS CB C 13 33.750 0.300 . 1 . . . . A 94 LYS CB . 34766 1 655 . 1 . 1 54 54 LYS CG C 13 24.923 0.300 . 1 . . . . A 94 LYS CG . 34766 1 656 . 1 . 1 54 54 LYS CD C 13 29.083 0.300 . 1 . . . . A 94 LYS CD . 34766 1 657 . 1 . 1 54 54 LYS CE C 13 42.130 0.300 . 1 . . . . A 94 LYS CE . 34766 1 658 . 1 . 1 54 54 LYS N N 15 116.229 0.300 . 1 . . . . A 94 LYS N . 34766 1 659 . 1 . 1 55 55 ASN H H 1 8.283 0.020 . 1 . . . . A 95 ASN H . 34766 1 660 . 1 . 1 55 55 ASN HA H 1 4.538 0.020 . 1 . . . . A 95 ASN HA . 34766 1 661 . 1 . 1 55 55 ASN HB2 H 1 3.053 0.020 . 2 . . . . A 95 ASN HB2 . 34766 1 662 . 1 . 1 55 55 ASN HB3 H 1 3.328 0.020 . 2 . . . . A 95 ASN HB3 . 34766 1 663 . 1 . 1 55 55 ASN HD21 H 1 7.672 0.020 . 2 . . . . A 95 ASN HD21 . 34766 1 664 . 1 . 1 55 55 ASN HD22 H 1 6.572 0.020 . 2 . . . . A 95 ASN HD22 . 34766 1 665 . 1 . 1 55 55 ASN C C 13 174.103 0.300 . 1 . . . . A 95 ASN C . 34766 1 666 . 1 . 1 55 55 ASN CA C 13 54.510 0.300 . 1 . . . . A 95 ASN CA . 34766 1 667 . 1 . 1 55 55 ASN CB C 13 36.907 0.300 . 1 . . . . A 95 ASN CB . 34766 1 668 . 1 . 1 55 55 ASN N N 15 116.455 0.300 . 1 . . . . A 95 ASN N . 34766 1 669 . 1 . 1 55 55 ASN ND2 N 15 111.665 0.300 . 1 . . . . A 95 ASN ND2 . 34766 1 670 . 1 . 1 56 56 GLN H H 1 7.425 0.020 . 1 . . . . A 96 GLN H . 34766 1 671 . 1 . 1 56 56 GLN HA H 1 5.332 0.020 . 1 . . . . A 96 GLN HA . 34766 1 672 . 1 . 1 56 56 GLN HB2 H 1 2.113 0.020 . 2 . . . . A 96 GLN HB2 . 34766 1 673 . 1 . 1 56 56 GLN HB3 H 1 1.763 0.020 . 2 . . . . A 96 GLN HB3 . 34766 1 674 . 1 . 1 56 56 GLN HG2 H 1 2.429 0.020 . 2 . . . . A 96 GLN HG2 . 34766 1 675 . 1 . 1 56 56 GLN HG3 H 1 2.648 0.020 . 2 . . . . A 96 GLN HG3 . 34766 1 676 . 1 . 1 56 56 GLN HE21 H 1 7.580 0.020 . 2 . . . . A 96 GLN HE21 . 34766 1 677 . 1 . 1 56 56 GLN HE22 H 1 7.473 0.020 . 2 . . . . A 96 GLN HE22 . 34766 1 678 . 1 . 1 56 56 GLN C C 13 174.315 0.300 . 1 . . . . A 96 GLN C . 34766 1 679 . 1 . 1 56 56 GLN CA C 13 53.629 0.300 . 1 . . . . A 96 GLN CA . 34766 1 680 . 1 . 1 56 56 GLN CB C 13 35.638 0.300 . 1 . . . . A 96 GLN CB . 34766 1 681 . 1 . 1 56 56 GLN CG C 13 34.139 0.300 . 1 . . . . A 96 GLN CG . 34766 1 682 . 1 . 1 56 56 GLN N N 15 112.886 0.300 . 1 . . . . A 96 GLN N . 34766 1 683 . 1 . 1 56 56 GLN NE2 N 15 113.221 0.300 . 1 . . . . A 96 GLN NE2 . 34766 1 684 . 1 . 1 57 57 ALA H H 1 8.935 0.020 . 1 . . . . A 97 ALA H . 34766 1 685 . 1 . 1 57 57 ALA HA H 1 5.082 0.020 . 1 . . . . A 97 ALA HA . 34766 1 686 . 1 . 1 57 57 ALA HB1 H 1 1.334 0.020 . 1 . . . . A 97 ALA HB1 . 34766 1 687 . 1 . 1 57 57 ALA HB2 H 1 1.334 0.020 . 1 . . . . A 97 ALA HB2 . 34766 1 688 . 1 . 1 57 57 ALA HB3 H 1 1.334 0.020 . 1 . . . . A 97 ALA HB3 . 34766 1 689 . 1 . 1 57 57 ALA C C 13 174.444 0.300 . 1 . . . . A 97 ALA C . 34766 1 690 . 1 . 1 57 57 ALA CA C 13 51.377 0.300 . 1 . . . . A 97 ALA CA . 34766 1 691 . 1 . 1 57 57 ALA CB C 13 24.534 0.300 . 1 . . . . A 97 ALA CB . 34766 1 692 . 1 . 1 57 57 ALA N N 15 119.859 0.300 . 1 . . . . A 97 ALA N . 34766 1 693 . 1 . 1 58 58 PHE H H 1 9.237 0.020 . 1 . . . . A 98 PHE H . 34766 1 694 . 1 . 1 58 58 PHE HA H 1 5.804 0.020 . 1 . . . . A 98 PHE HA . 34766 1 695 . 1 . 1 58 58 PHE HB2 H 1 2.774 0.020 . 2 . . . . A 98 PHE HB2 . 34766 1 696 . 1 . 1 58 58 PHE HB3 H 1 2.774 0.020 . 2 . . . . A 98 PHE HB3 . 34766 1 697 . 1 . 1 58 58 PHE HD1 H 1 6.998 0.020 . 1 . . . . A 98 PHE HD1 . 34766 1 698 . 1 . 1 58 58 PHE HD2 H 1 6.998 0.020 . 1 . . . . A 98 PHE HD2 . 34766 1 699 . 1 . 1 58 58 PHE HE1 H 1 6.915 0.020 . 1 . . . . A 98 PHE HE1 . 34766 1 700 . 1 . 1 58 58 PHE HE2 H 1 6.915 0.020 . 1 . . . . A 98 PHE HE2 . 34766 1 701 . 1 . 1 58 58 PHE HZ H 1 6.793 0.020 . 1 . . . . A 98 PHE HZ . 34766 1 702 . 1 . 1 58 58 PHE C C 13 175.266 0.300 . 1 . . . . A 98 PHE C . 34766 1 703 . 1 . 1 58 58 PHE CA C 13 56.115 0.300 . 1 . . . . A 98 PHE CA . 34766 1 704 . 1 . 1 58 58 PHE CB C 13 42.670 0.300 . 1 . . . . A 98 PHE CB . 34766 1 705 . 1 . 1 58 58 PHE CD1 C 13 130.845 0.300 . 1 . . . . A 98 PHE CD1 . 34766 1 706 . 1 . 1 58 58 PHE CE1 C 13 130.862 0.300 . 1 . . . . A 98 PHE CE1 . 34766 1 707 . 1 . 1 58 58 PHE CZ C 13 129.079 0.300 . 1 . . . . A 98 PHE CZ . 34766 1 708 . 1 . 1 58 58 PHE N N 15 117.430 0.300 . 1 . . . . A 98 PHE N . 34766 1 709 . 1 . 1 59 59 ILE H H 1 9.209 0.020 . 1 . . . . A 99 ILE H . 34766 1 710 . 1 . 1 59 59 ILE HA H 1 4.874 0.020 . 1 . . . . A 99 ILE HA . 34766 1 711 . 1 . 1 59 59 ILE HB H 1 1.686 0.020 . 1 . . . . A 99 ILE HB . 34766 1 712 . 1 . 1 59 59 ILE HG12 H 1 0.960 0.020 . 2 . . . . A 99 ILE HG12 . 34766 1 713 . 1 . 1 59 59 ILE HG13 H 1 1.596 0.020 . 2 . . . . A 99 ILE HG13 . 34766 1 714 . 1 . 1 59 59 ILE HG21 H 1 0.910 0.020 . 1 . . . . A 99 ILE HG21 . 34766 1 715 . 1 . 1 59 59 ILE HG22 H 1 0.910 0.020 . 1 . . . . A 99 ILE HG22 . 34766 1 716 . 1 . 1 59 59 ILE HG23 H 1 0.910 0.020 . 1 . . . . A 99 ILE HG23 . 34766 1 717 . 1 . 1 59 59 ILE HD11 H 1 0.831 0.020 . 1 . . . . A 99 ILE HD11 . 34766 1 718 . 1 . 1 59 59 ILE HD12 H 1 0.831 0.020 . 1 . . . . A 99 ILE HD12 . 34766 1 719 . 1 . 1 59 59 ILE HD13 H 1 0.831 0.020 . 1 . . . . A 99 ILE HD13 . 34766 1 720 . 1 . 1 59 59 ILE C C 13 172.679 0.300 . 1 . . . . A 99 ILE C . 34766 1 721 . 1 . 1 59 59 ILE CA C 13 59.371 0.300 . 1 . . . . A 99 ILE CA . 34766 1 722 . 1 . 1 59 59 ILE CB C 13 42.347 0.300 . 1 . . . . A 99 ILE CB . 34766 1 723 . 1 . 1 59 59 ILE CG1 C 13 27.286 0.300 . 1 . . . . A 99 ILE CG1 . 34766 1 724 . 1 . 1 59 59 ILE CG2 C 13 18.586 0.300 . 1 . . . . A 99 ILE CG2 . 34766 1 725 . 1 . 1 59 59 ILE CD1 C 13 14.404 0.300 . 1 . . . . A 99 ILE CD1 . 34766 1 726 . 1 . 1 59 59 ILE N N 15 118.480 0.300 . 1 . . . . A 99 ILE N . 34766 1 727 . 1 . 1 60 60 GLU H H 1 8.562 0.020 . 1 . . . . A 100 GLU H . 34766 1 728 . 1 . 1 60 60 GLU HA H 1 5.061 0.020 . 1 . . . . A 100 GLU HA . 34766 1 729 . 1 . 1 60 60 GLU HB2 H 1 1.657 0.020 . 2 . . . . A 100 GLU HB2 . 34766 1 730 . 1 . 1 60 60 GLU HB3 H 1 2.122 0.020 . 2 . . . . A 100 GLU HB3 . 34766 1 731 . 1 . 1 60 60 GLU HG2 H 1 1.947 0.020 . 2 . . . . A 100 GLU HG2 . 34766 1 732 . 1 . 1 60 60 GLU HG3 H 1 2.268 0.020 . 2 . . . . A 100 GLU HG3 . 34766 1 733 . 1 . 1 60 60 GLU C C 13 175.009 0.300 . 1 . . . . A 100 GLU C . 34766 1 734 . 1 . 1 60 60 GLU CA C 13 54.402 0.300 . 1 . . . . A 100 GLU CA . 34766 1 735 . 1 . 1 60 60 GLU CB C 13 33.832 0.300 . 1 . . . . A 100 GLU CB . 34766 1 736 . 1 . 1 60 60 GLU CG C 13 37.451 0.300 . 1 . . . . A 100 GLU CG . 34766 1 737 . 1 . 1 60 60 GLU N N 15 126.828 0.300 . 1 . . . . A 100 GLU N . 34766 1 738 . 1 . 1 61 61 MET H H 1 8.833 0.020 . 1 . . . . A 101 MET H . 34766 1 739 . 1 . 1 61 61 MET HA H 1 5.740 0.020 . 1 . . . . A 101 MET HA . 34766 1 740 . 1 . 1 61 61 MET HB2 H 1 2.285 0.020 . 2 . . . . A 101 MET HB2 . 34766 1 741 . 1 . 1 61 61 MET HB3 H 1 2.211 0.020 . 2 . . . . A 101 MET HB3 . 34766 1 742 . 1 . 1 61 61 MET HG2 H 1 2.600 0.020 . 2 . . . . A 101 MET HG2 . 34766 1 743 . 1 . 1 61 61 MET HG3 H 1 2.370 0.020 . 2 . . . . A 101 MET HG3 . 34766 1 744 . 1 . 1 61 61 MET HE1 H 1 1.902 0.020 . 1 . . . . A 101 MET HE1 . 34766 1 745 . 1 . 1 61 61 MET HE2 H 1 1.902 0.020 . 1 . . . . A 101 MET HE2 . 34766 1 746 . 1 . 1 61 61 MET HE3 H 1 1.902 0.020 . 1 . . . . A 101 MET HE3 . 34766 1 747 . 1 . 1 61 61 MET C C 13 177.913 0.300 . 1 . . . . A 101 MET C . 34766 1 748 . 1 . 1 61 61 MET CA C 13 51.894 0.300 . 1 . . . . A 101 MET CA . 34766 1 749 . 1 . 1 61 61 MET CB C 13 32.264 0.300 . 1 . . . . A 101 MET CB . 34766 1 750 . 1 . 1 61 61 MET CG C 13 32.801 0.300 . 1 . . . . A 101 MET CG . 34766 1 751 . 1 . 1 61 61 MET CE C 13 16.093 0.300 . 1 . . . . A 101 MET CE . 34766 1 752 . 1 . 1 61 61 MET N N 15 122.781 0.300 . 1 . . . . A 101 MET N . 34766 1 753 . 1 . 1 62 62 ASN H H 1 9.154 0.020 . 1 . . . . A 102 ASN H . 34766 1 754 . 1 . 1 62 62 ASN HA H 1 4.349 0.020 . 1 . . . . A 102 ASN HA . 34766 1 755 . 1 . 1 62 62 ASN HB2 H 1 2.821 0.020 . 2 . . . . A 102 ASN HB2 . 34766 1 756 . 1 . 1 62 62 ASN HB3 H 1 2.978 0.020 . 2 . . . . A 102 ASN HB3 . 34766 1 757 . 1 . 1 62 62 ASN HD21 H 1 7.933 0.020 . 2 . . . . A 102 ASN HD21 . 34766 1 758 . 1 . 1 62 62 ASN HD22 H 1 7.284 0.020 . 2 . . . . A 102 ASN HD22 . 34766 1 759 . 1 . 1 62 62 ASN C C 13 175.167 0.300 . 1 . . . . A 102 ASN C . 34766 1 760 . 1 . 1 62 62 ASN CA C 13 56.602 0.300 . 1 . . . . A 102 ASN CA . 34766 1 761 . 1 . 1 62 62 ASN CB C 13 37.631 0.300 . 1 . . . . A 102 ASN CB . 34766 1 762 . 1 . 1 62 62 ASN N N 15 116.723 0.300 . 1 . . . . A 102 ASN N . 34766 1 763 . 1 . 1 62 62 ASN ND2 N 15 115.635 0.300 . 1 . . . . A 102 ASN ND2 . 34766 1 764 . 1 . 1 63 63 THR H H 1 7.283 0.020 . 1 . . . . A 103 THR H . 34766 1 765 . 1 . 1 63 63 THR HA H 1 4.790 0.020 . 1 . . . . A 103 THR HA . 34766 1 766 . 1 . 1 63 63 THR HB H 1 4.784 0.020 . 1 . . . . A 103 THR HB . 34766 1 767 . 1 . 1 63 63 THR HG1 H 1 5.770 0.020 . 1 . . . . A 103 THR HG1 . 34766 1 768 . 1 . 1 63 63 THR HG21 H 1 1.303 0.020 . 1 . . . . A 103 THR HG21 . 34766 1 769 . 1 . 1 63 63 THR HG22 H 1 1.303 0.020 . 1 . . . . A 103 THR HG22 . 34766 1 770 . 1 . 1 63 63 THR HG23 H 1 1.303 0.020 . 1 . . . . A 103 THR HG23 . 34766 1 771 . 1 . 1 63 63 THR C C 13 174.401 0.300 . 1 . . . . A 103 THR C . 34766 1 772 . 1 . 1 63 63 THR CA C 13 59.064 0.300 . 1 . . . . A 103 THR CA . 34766 1 773 . 1 . 1 63 63 THR CB C 13 73.236 0.300 . 1 . . . . A 103 THR CB . 34766 1 774 . 1 . 1 63 63 THR CG2 C 13 21.901 0.300 . 1 . . . . A 103 THR CG2 . 34766 1 775 . 1 . 1 63 63 THR N N 15 104.648 0.300 . 1 . . . . A 103 THR N . 34766 1 776 . 1 . 1 64 64 GLU H H 1 9.355 0.020 . 1 . . . . A 104 GLU H . 34766 1 777 . 1 . 1 64 64 GLU HA H 1 3.983 0.020 . 1 . . . . A 104 GLU HA . 34766 1 778 . 1 . 1 64 64 GLU HB2 H 1 2.063 0.020 . 2 . . . . A 104 GLU HB2 . 34766 1 779 . 1 . 1 64 64 GLU HB3 H 1 1.964 0.020 . 2 . . . . A 104 GLU HB3 . 34766 1 780 . 1 . 1 64 64 GLU HG2 H 1 2.233 0.020 . 2 . . . . A 104 GLU HG2 . 34766 1 781 . 1 . 1 64 64 GLU HG3 H 1 2.233 0.020 . 2 . . . . A 104 GLU HG3 . 34766 1 782 . 1 . 1 64 64 GLU C C 13 178.805 0.300 . 1 . . . . A 104 GLU C . 34766 1 783 . 1 . 1 64 64 GLU CA C 13 59.790 0.300 . 1 . . . . A 104 GLU CA . 34766 1 784 . 1 . 1 64 64 GLU CB C 13 29.370 0.300 . 1 . . . . A 104 GLU CB . 34766 1 785 . 1 . 1 64 64 GLU CG C 13 37.336 0.300 . 1 . . . . A 104 GLU CG . 34766 1 786 . 1 . 1 64 64 GLU N N 15 122.503 0.300 . 1 . . . . A 104 GLU N . 34766 1 787 . 1 . 1 65 65 GLU H H 1 8.832 0.020 . 1 . . . . A 105 GLU H . 34766 1 788 . 1 . 1 65 65 GLU HA H 1 4.174 0.020 . 1 . . . . A 105 GLU HA . 34766 1 789 . 1 . 1 65 65 GLU HB2 H 1 2.195 0.020 . 2 . . . . A 105 GLU HB2 . 34766 1 790 . 1 . 1 65 65 GLU HB3 H 1 2.049 0.020 . 2 . . . . A 105 GLU HB3 . 34766 1 791 . 1 . 1 65 65 GLU HG2 H 1 2.411 0.020 . 2 . . . . A 105 GLU HG2 . 34766 1 792 . 1 . 1 65 65 GLU HG3 H 1 2.364 0.020 . 2 . . . . A 105 GLU HG3 . 34766 1 793 . 1 . 1 65 65 GLU C C 13 179.063 0.300 . 1 . . . . A 105 GLU C . 34766 1 794 . 1 . 1 65 65 GLU CA C 13 60.325 0.300 . 1 . . . . A 105 GLU CA . 34766 1 795 . 1 . 1 65 65 GLU CB C 13 29.171 0.300 . 1 . . . . A 105 GLU CB . 34766 1 796 . 1 . 1 65 65 GLU CG C 13 36.680 0.300 . 1 . . . . A 105 GLU CG . 34766 1 797 . 1 . 1 65 65 GLU N N 15 120.840 0.300 . 1 . . . . A 105 GLU N . 34766 1 798 . 1 . 1 66 66 ALA H H 1 8.440 0.020 . 1 . . . . A 106 ALA H . 34766 1 799 . 1 . 1 66 66 ALA HA H 1 4.241 0.020 . 1 . . . . A 106 ALA HA . 34766 1 800 . 1 . 1 66 66 ALA HB1 H 1 1.601 0.020 . 1 . . . . A 106 ALA HB1 . 34766 1 801 . 1 . 1 66 66 ALA HB2 H 1 1.601 0.020 . 1 . . . . A 106 ALA HB2 . 34766 1 802 . 1 . 1 66 66 ALA HB3 H 1 1.601 0.020 . 1 . . . . A 106 ALA HB3 . 34766 1 803 . 1 . 1 66 66 ALA C C 13 179.489 0.300 . 1 . . . . A 106 ALA C . 34766 1 804 . 1 . 1 66 66 ALA CA C 13 55.387 0.300 . 1 . . . . A 106 ALA CA . 34766 1 805 . 1 . 1 66 66 ALA CB C 13 19.823 0.300 . 1 . . . . A 106 ALA CB . 34766 1 806 . 1 . 1 66 66 ALA N N 15 124.342 0.300 . 1 . . . . A 106 ALA N . 34766 1 807 . 1 . 1 67 67 ALA H H 1 7.488 0.020 . 1 . . . . A 107 ALA H . 34766 1 808 . 1 . 1 67 67 ALA HA H 1 4.009 0.020 . 1 . . . . A 107 ALA HA . 34766 1 809 . 1 . 1 67 67 ALA HB1 H 1 1.774 0.020 . 1 . . . . A 107 ALA HB1 . 34766 1 810 . 1 . 1 67 67 ALA HB2 H 1 1.774 0.020 . 1 . . . . A 107 ALA HB2 . 34766 1 811 . 1 . 1 67 67 ALA HB3 H 1 1.774 0.020 . 1 . . . . A 107 ALA HB3 . 34766 1 812 . 1 . 1 67 67 ALA C C 13 178.478 0.300 . 1 . . . . A 107 ALA C . 34766 1 813 . 1 . 1 67 67 ALA CA C 13 55.555 0.300 . 1 . . . . A 107 ALA CA . 34766 1 814 . 1 . 1 67 67 ALA CB C 13 19.226 0.300 . 1 . . . . A 107 ALA CB . 34766 1 815 . 1 . 1 67 67 ALA N N 15 118.436 0.300 . 1 . . . . A 107 ALA N . 34766 1 816 . 1 . 1 68 68 ASN H H 1 8.906 0.020 . 1 . . . . A 108 ASN H . 34766 1 817 . 1 . 1 68 68 ASN HA H 1 4.614 0.020 . 1 . . . . A 108 ASN HA . 34766 1 818 . 1 . 1 68 68 ASN HB2 H 1 2.923 0.020 . 2 . . . . A 108 ASN HB2 . 34766 1 819 . 1 . 1 68 68 ASN HB3 H 1 3.003 0.020 . 2 . . . . A 108 ASN HB3 . 34766 1 820 . 1 . 1 68 68 ASN HD21 H 1 7.776 0.020 . 2 . . . . A 108 ASN HD21 . 34766 1 821 . 1 . 1 68 68 ASN HD22 H 1 7.296 0.020 . 2 . . . . A 108 ASN HD22 . 34766 1 822 . 1 . 1 68 68 ASN C C 13 177.695 0.300 . 1 . . . . A 108 ASN C . 34766 1 823 . 1 . 1 68 68 ASN CA C 13 57.161 0.300 . 1 . . . . A 108 ASN CA . 34766 1 824 . 1 . 1 68 68 ASN CB C 13 39.646 0.300 . 1 . . . . A 108 ASN CB . 34766 1 825 . 1 . 1 68 68 ASN N N 15 116.408 0.300 . 1 . . . . A 108 ASN N . 34766 1 826 . 1 . 1 68 68 ASN ND2 N 15 113.666 0.300 . 1 . . . . A 108 ASN ND2 . 34766 1 827 . 1 . 1 69 69 THR H H 1 8.659 0.020 . 1 . . . . A 109 THR H . 34766 1 828 . 1 . 1 69 69 THR HA H 1 3.921 0.020 . 1 . . . . A 109 THR HA . 34766 1 829 . 1 . 1 69 69 THR HB H 1 4.443 0.020 . 1 . . . . A 109 THR HB . 34766 1 830 . 1 . 1 69 69 THR HG1 H 1 5.580 0.020 . 1 . . . . A 109 THR HG1 . 34766 1 831 . 1 . 1 69 69 THR HG21 H 1 1.475 0.020 . 1 . . . . A 109 THR HG21 . 34766 1 832 . 1 . 1 69 69 THR HG22 H 1 1.475 0.020 . 1 . . . . A 109 THR HG22 . 34766 1 833 . 1 . 1 69 69 THR HG23 H 1 1.475 0.020 . 1 . . . . A 109 THR HG23 . 34766 1 834 . 1 . 1 69 69 THR C C 13 176.010 0.300 . 1 . . . . A 109 THR C . 34766 1 835 . 1 . 1 69 69 THR CA C 13 66.839 0.300 . 1 . . . . A 109 THR CA . 34766 1 836 . 1 . 1 69 69 THR CB C 13 68.608 0.300 . 1 . . . . A 109 THR CB . 34766 1 837 . 1 . 1 69 69 THR CG2 C 13 22.432 0.300 . 1 . . . . A 109 THR CG2 . 34766 1 838 . 1 . 1 69 69 THR N N 15 117.042 0.300 . 1 . . . . A 109 THR N . 34766 1 839 . 1 . 1 70 70 MET H H 1 7.818 0.020 . 1 . . . . A 110 MET H . 34766 1 840 . 1 . 1 70 70 MET HA H 1 2.167 0.020 . 1 . . . . A 110 MET HA . 34766 1 841 . 1 . 1 70 70 MET HB2 H 1 2.057 0.020 . 2 . . . . A 110 MET HB2 . 34766 1 842 . 1 . 1 70 70 MET HB3 H 1 2.408 0.020 . 2 . . . . A 110 MET HB3 . 34766 1 843 . 1 . 1 70 70 MET HG2 H 1 1.414 0.020 . 2 . . . . A 110 MET HG2 . 34766 1 844 . 1 . 1 70 70 MET HG3 H 1 1.414 0.020 . 2 . . . . A 110 MET HG3 . 34766 1 845 . 1 . 1 70 70 MET HE1 H 1 1.963 0.020 . 1 . . . . A 110 MET HE1 . 34766 1 846 . 1 . 1 70 70 MET HE2 H 1 1.963 0.020 . 1 . . . . A 110 MET HE2 . 34766 1 847 . 1 . 1 70 70 MET HE3 H 1 1.963 0.020 . 1 . . . . A 110 MET HE3 . 34766 1 848 . 1 . 1 70 70 MET C C 13 176.593 0.300 . 1 . . . . A 110 MET C . 34766 1 849 . 1 . 1 70 70 MET CA C 13 59.145 0.300 . 1 . . . . A 110 MET CA . 34766 1 850 . 1 . 1 70 70 MET CB C 13 32.856 0.300 . 1 . . . . A 110 MET CB . 34766 1 851 . 1 . 1 70 70 MET CG C 13 32.451 0.300 . 1 . . . . A 110 MET CG . 34766 1 852 . 1 . 1 70 70 MET CE C 13 18.220 0.300 . 1 . . . . A 110 MET CE . 34766 1 853 . 1 . 1 70 70 MET N N 15 123.131 0.300 . 1 . . . . A 110 MET N . 34766 1 854 . 1 . 1 71 71 VAL H H 1 8.189 0.020 . 1 . . . . A 111 VAL H . 34766 1 855 . 1 . 1 71 71 VAL HA H 1 3.252 0.020 . 1 . . . . A 111 VAL HA . 34766 1 856 . 1 . 1 71 71 VAL HB H 1 1.616 0.020 . 1 . . . . A 111 VAL HB . 34766 1 857 . 1 . 1 71 71 VAL HG11 H 1 0.564 0.020 . 2 . . . . A 111 VAL HG11 . 34766 1 858 . 1 . 1 71 71 VAL HG12 H 1 0.564 0.020 . 2 . . . . A 111 VAL HG12 . 34766 1 859 . 1 . 1 71 71 VAL HG13 H 1 0.564 0.020 . 2 . . . . A 111 VAL HG13 . 34766 1 860 . 1 . 1 71 71 VAL HG21 H 1 0.084 0.020 . 2 . . . . A 111 VAL HG21 . 34766 1 861 . 1 . 1 71 71 VAL HG22 H 1 0.084 0.020 . 2 . . . . A 111 VAL HG22 . 34766 1 862 . 1 . 1 71 71 VAL HG23 H 1 0.084 0.020 . 2 . . . . A 111 VAL HG23 . 34766 1 863 . 1 . 1 71 71 VAL C C 13 179.228 0.300 . 1 . . . . A 111 VAL C . 34766 1 864 . 1 . 1 71 71 VAL CA C 13 67.427 0.300 . 1 . . . . A 111 VAL CA . 34766 1 865 . 1 . 1 71 71 VAL CB C 13 31.278 0.300 . 1 . . . . A 111 VAL CB . 34766 1 866 . 1 . 1 71 71 VAL CG1 C 13 21.069 0.300 . 2 . . . . A 111 VAL CG1 . 34766 1 867 . 1 . 1 71 71 VAL CG2 C 13 23.537 0.300 . 2 . . . . A 111 VAL CG2 . 34766 1 868 . 1 . 1 71 71 VAL N N 15 118.225 0.300 . 1 . . . . A 111 VAL N . 34766 1 869 . 1 . 1 72 72 ASN H H 1 8.422 0.020 . 1 . . . . A 112 ASN H . 34766 1 870 . 1 . 1 72 72 ASN HA H 1 4.372 0.020 . 1 . . . . A 112 ASN HA . 34766 1 871 . 1 . 1 72 72 ASN HB2 H 1 2.937 0.020 . 2 . . . . A 112 ASN HB2 . 34766 1 872 . 1 . 1 72 72 ASN HB3 H 1 2.779 0.020 . 2 . . . . A 112 ASN HB3 . 34766 1 873 . 1 . 1 72 72 ASN HD21 H 1 7.637 0.020 . 2 . . . . A 112 ASN HD21 . 34766 1 874 . 1 . 1 72 72 ASN HD22 H 1 6.958 0.020 . 2 . . . . A 112 ASN HD22 . 34766 1 875 . 1 . 1 72 72 ASN C C 13 178.472 0.300 . 1 . . . . A 112 ASN C . 34766 1 876 . 1 . 1 72 72 ASN CA C 13 56.657 0.300 . 1 . . . . A 112 ASN CA . 34766 1 877 . 1 . 1 72 72 ASN CB C 13 38.084 0.300 . 1 . . . . A 112 ASN CB . 34766 1 878 . 1 . 1 72 72 ASN N N 15 118.669 0.300 . 1 . . . . A 112 ASN N . 34766 1 879 . 1 . 1 72 72 ASN ND2 N 15 112.460 0.300 . 1 . . . . A 112 ASN ND2 . 34766 1 880 . 1 . 1 73 73 TYR H H 1 8.337 0.020 . 1 . . . . A 113 TYR H . 34766 1 881 . 1 . 1 73 73 TYR HA H 1 4.073 0.020 . 1 . . . . A 113 TYR HA . 34766 1 882 . 1 . 1 73 73 TYR HB2 H 1 2.995 0.020 . 2 . . . . A 113 TYR HB2 . 34766 1 883 . 1 . 1 73 73 TYR HB3 H 1 2.604 0.020 . 2 . . . . A 113 TYR HB3 . 34766 1 884 . 1 . 1 73 73 TYR HD1 H 1 6.315 0.020 . 1 . . . . A 113 TYR HD1 . 34766 1 885 . 1 . 1 73 73 TYR HD2 H 1 6.315 0.020 . 1 . . . . A 113 TYR HD2 . 34766 1 886 . 1 . 1 73 73 TYR HE1 H 1 6.672 0.020 . 1 . . . . A 113 TYR HE1 . 34766 1 887 . 1 . 1 73 73 TYR HE2 H 1 6.672 0.020 . 1 . . . . A 113 TYR HE2 . 34766 1 888 . 1 . 1 73 73 TYR C C 13 178.121 0.300 . 1 . . . . A 113 TYR C . 34766 1 889 . 1 . 1 73 73 TYR CA C 13 62.380 0.300 . 1 . . . . A 113 TYR CA . 34766 1 890 . 1 . 1 73 73 TYR CB C 13 38.605 0.300 . 1 . . . . A 113 TYR CB . 34766 1 891 . 1 . 1 73 73 TYR CD1 C 13 133.353 0.300 . 1 . . . . A 113 TYR CD1 . 34766 1 892 . 1 . 1 73 73 TYR CE1 C 13 117.882 0.300 . 1 . . . . A 113 TYR CE1 . 34766 1 893 . 1 . 1 73 73 TYR N N 15 123.678 0.300 . 1 . . . . A 113 TYR N . 34766 1 894 . 1 . 1 74 74 TYR H H 1 7.829 0.020 . 1 . . . . A 114 TYR H . 34766 1 895 . 1 . 1 74 74 TYR HA H 1 5.273 0.020 . 1 . . . . A 114 TYR HA . 34766 1 896 . 1 . 1 74 74 TYR HB2 H 1 3.439 0.020 . 2 . . . . A 114 TYR HB2 . 34766 1 897 . 1 . 1 74 74 TYR HB3 H 1 2.630 0.020 . 2 . . . . A 114 TYR HB3 . 34766 1 898 . 1 . 1 74 74 TYR HD1 H 1 7.226 0.020 . 1 . . . . A 114 TYR HD1 . 34766 1 899 . 1 . 1 74 74 TYR HD2 H 1 7.226 0.020 . 1 . . . . A 114 TYR HD2 . 34766 1 900 . 1 . 1 74 74 TYR HE1 H 1 7.027 0.020 . 1 . . . . A 114 TYR HE1 . 34766 1 901 . 1 . 1 74 74 TYR HE2 H 1 7.027 0.020 . 1 . . . . A 114 TYR HE2 . 34766 1 902 . 1 . 1 74 74 TYR C C 13 175.722 0.300 . 1 . . . . A 114 TYR C . 34766 1 903 . 1 . 1 74 74 TYR CA C 13 59.417 0.300 . 1 . . . . A 114 TYR CA . 34766 1 904 . 1 . 1 74 74 TYR CB C 13 37.284 0.300 . 1 . . . . A 114 TYR CB . 34766 1 905 . 1 . 1 74 74 TYR CD1 C 13 133.621 0.300 . 1 . . . . A 114 TYR CD1 . 34766 1 906 . 1 . 1 74 74 TYR CE1 C 13 117.451 0.300 . 1 . . . . A 114 TYR CE1 . 34766 1 907 . 1 . 1 74 74 TYR N N 15 115.807 0.300 . 1 . . . . A 114 TYR N . 34766 1 908 . 1 . 1 75 75 THR H H 1 7.641 0.020 . 1 . . . . A 115 THR H . 34766 1 909 . 1 . 1 75 75 THR HA H 1 4.339 0.020 . 1 . . . . A 115 THR HA . 34766 1 910 . 1 . 1 75 75 THR HB H 1 4.399 0.020 . 1 . . . . A 115 THR HB . 34766 1 911 . 1 . 1 75 75 THR HG1 H 1 5.522 0.020 . 1 . . . . A 115 THR HG1 . 34766 1 912 . 1 . 1 75 75 THR HG21 H 1 1.346 0.020 . 1 . . . . A 115 THR HG21 . 34766 1 913 . 1 . 1 75 75 THR HG22 H 1 1.346 0.020 . 1 . . . . A 115 THR HG22 . 34766 1 914 . 1 . 1 75 75 THR HG23 H 1 1.346 0.020 . 1 . . . . A 115 THR HG23 . 34766 1 915 . 1 . 1 75 75 THR C C 13 175.167 0.300 . 1 . . . . A 115 THR C . 34766 1 916 . 1 . 1 75 75 THR CA C 13 65.028 0.300 . 1 . . . . A 115 THR CA . 34766 1 917 . 1 . 1 75 75 THR CB C 13 69.345 0.300 . 1 . . . . A 115 THR CB . 34766 1 918 . 1 . 1 75 75 THR CG2 C 13 21.263 0.300 . 1 . . . . A 115 THR CG2 . 34766 1 919 . 1 . 1 75 75 THR N N 15 113.622 0.300 . 1 . . . . A 115 THR N . 34766 1 920 . 1 . 1 76 76 SER H H 1 7.342 0.020 . 1 . . . . A 116 SER H . 34766 1 921 . 1 . 1 76 76 SER HA H 1 4.543 0.020 . 1 . . . . A 116 SER HA . 34766 1 922 . 1 . 1 76 76 SER HB2 H 1 3.897 0.020 . 2 . . . . A 116 SER HB2 . 34766 1 923 . 1 . 1 76 76 SER HB3 H 1 3.850 0.020 . 2 . . . . A 116 SER HB3 . 34766 1 924 . 1 . 1 76 76 SER C C 13 173.631 0.300 . 1 . . . . A 116 SER C . 34766 1 925 . 1 . 1 76 76 SER CA C 13 59.686 0.300 . 1 . . . . A 116 SER CA . 34766 1 926 . 1 . 1 76 76 SER CB C 13 64.314 0.300 . 1 . . . . A 116 SER CB . 34766 1 927 . 1 . 1 76 76 SER N N 15 116.070 0.300 . 1 . . . . A 116 SER N . 34766 1 928 . 1 . 1 77 77 VAL H H 1 7.710 0.020 . 1 . . . . A 117 VAL H . 34766 1 929 . 1 . 1 77 77 VAL HA H 1 4.118 0.020 . 1 . . . . A 117 VAL HA . 34766 1 930 . 1 . 1 77 77 VAL HB H 1 1.533 0.020 . 1 . . . . A 117 VAL HB . 34766 1 931 . 1 . 1 77 77 VAL HG11 H 1 0.843 0.020 . 2 . . . . A 117 VAL HG11 . 34766 1 932 . 1 . 1 77 77 VAL HG12 H 1 0.843 0.020 . 2 . . . . A 117 VAL HG12 . 34766 1 933 . 1 . 1 77 77 VAL HG13 H 1 0.843 0.020 . 2 . . . . A 117 VAL HG13 . 34766 1 934 . 1 . 1 77 77 VAL HG21 H 1 0.537 0.020 . 2 . . . . A 117 VAL HG21 . 34766 1 935 . 1 . 1 77 77 VAL HG22 H 1 0.537 0.020 . 2 . . . . A 117 VAL HG22 . 34766 1 936 . 1 . 1 77 77 VAL HG23 H 1 0.537 0.020 . 2 . . . . A 117 VAL HG23 . 34766 1 937 . 1 . 1 77 77 VAL C C 13 174.285 0.300 . 1 . . . . A 117 VAL C . 34766 1 938 . 1 . 1 77 77 VAL CA C 13 61.142 0.300 . 1 . . . . A 117 VAL CA . 34766 1 939 . 1 . 1 77 77 VAL CB C 13 33.369 0.300 . 1 . . . . A 117 VAL CB . 34766 1 940 . 1 . 1 77 77 VAL CG1 C 13 20.962 0.300 . 2 . . . . A 117 VAL CG1 . 34766 1 941 . 1 . 1 77 77 VAL CG2 C 13 20.427 0.300 . 2 . . . . A 117 VAL CG2 . 34766 1 942 . 1 . 1 77 77 VAL N N 15 123.426 0.300 . 1 . . . . A 117 VAL N . 34766 1 943 . 1 . 1 78 78 THR H H 1 8.177 0.020 . 1 . . . . A 118 THR H . 34766 1 944 . 1 . 1 78 78 THR HA H 1 4.548 0.020 . 1 . . . . A 118 THR HA . 34766 1 945 . 1 . 1 78 78 THR HB H 1 3.992 0.020 . 1 . . . . A 118 THR HB . 34766 1 946 . 1 . 1 78 78 THR HG21 H 1 1.275 0.020 . 1 . . . . A 118 THR HG21 . 34766 1 947 . 1 . 1 78 78 THR HG22 H 1 1.275 0.020 . 1 . . . . A 118 THR HG22 . 34766 1 948 . 1 . 1 78 78 THR HG23 H 1 1.275 0.020 . 1 . . . . A 118 THR HG23 . 34766 1 949 . 1 . 1 78 78 THR C C 13 173.066 0.300 . 1 . . . . A 118 THR C . 34766 1 950 . 1 . 1 78 78 THR CA C 13 61.136 0.300 . 1 . . . . A 118 THR CA . 34766 1 951 . 1 . 1 78 78 THR CB C 13 70.229 0.300 . 1 . . . . A 118 THR CB . 34766 1 952 . 1 . 1 78 78 THR CG2 C 13 21.325 0.300 . 1 . . . . A 118 THR CG2 . 34766 1 953 . 1 . 1 78 78 THR N N 15 121.611 0.300 . 1 . . . . A 118 THR N . 34766 1 954 . 1 . 1 79 79 PRO HA H 1 4.546 0.020 . 1 . . . . A 119 PRO HA . 34766 1 955 . 1 . 1 79 79 PRO HB2 H 1 1.387 0.020 . 2 . . . . A 119 PRO HB2 . 34766 1 956 . 1 . 1 79 79 PRO HB3 H 1 1.283 0.020 . 2 . . . . A 119 PRO HB3 . 34766 1 957 . 1 . 1 79 79 PRO HG2 H 1 1.542 0.020 . 2 . . . . A 119 PRO HG2 . 34766 1 958 . 1 . 1 79 79 PRO HG3 H 1 2.126 0.020 . 2 . . . . A 119 PRO HG3 . 34766 1 959 . 1 . 1 79 79 PRO HD2 H 1 4.071 0.020 . 2 . . . . A 119 PRO HD2 . 34766 1 960 . 1 . 1 79 79 PRO HD3 H 1 4.384 0.020 . 2 . . . . A 119 PRO HD3 . 34766 1 961 . 1 . 1 79 79 PRO C C 13 175.285 0.300 . 1 . . . . A 119 PRO C . 34766 1 962 . 1 . 1 79 79 PRO CA C 13 62.422 0.300 . 1 . . . . A 119 PRO CA . 34766 1 963 . 1 . 1 79 79 PRO CB C 13 30.584 0.300 . 1 . . . . A 119 PRO CB . 34766 1 964 . 1 . 1 79 79 PRO CG C 13 26.232 0.300 . 1 . . . . A 119 PRO CG . 34766 1 965 . 1 . 1 79 79 PRO CD C 13 50.653 0.300 . 1 . . . . A 119 PRO CD . 34766 1 966 . 1 . 1 79 79 PRO N N 15 142.724 0.300 . 1 . . . . A 119 PRO N . 34766 1 967 . 1 . 1 80 80 VAL H H 1 7.779 0.020 . 1 . . . . A 120 VAL H . 34766 1 968 . 1 . 1 80 80 VAL HA H 1 4.799 0.020 . 1 . . . . A 120 VAL HA . 34766 1 969 . 1 . 1 80 80 VAL HB H 1 1.630 0.020 . 1 . . . . A 120 VAL HB . 34766 1 970 . 1 . 1 80 80 VAL HG11 H 1 0.618 0.020 . 2 . . . . A 120 VAL HG11 . 34766 1 971 . 1 . 1 80 80 VAL HG12 H 1 0.618 0.020 . 2 . . . . A 120 VAL HG12 . 34766 1 972 . 1 . 1 80 80 VAL HG13 H 1 0.618 0.020 . 2 . . . . A 120 VAL HG13 . 34766 1 973 . 1 . 1 80 80 VAL HG21 H 1 0.760 0.020 . 2 . . . . A 120 VAL HG21 . 34766 1 974 . 1 . 1 80 80 VAL HG22 H 1 0.760 0.020 . 2 . . . . A 120 VAL HG22 . 34766 1 975 . 1 . 1 80 80 VAL HG23 H 1 0.760 0.020 . 2 . . . . A 120 VAL HG23 . 34766 1 976 . 1 . 1 80 80 VAL C C 13 175.406 0.300 . 1 . . . . A 120 VAL C . 34766 1 977 . 1 . 1 80 80 VAL CA C 13 59.740 0.300 . 1 . . . . A 120 VAL CA . 34766 1 978 . 1 . 1 80 80 VAL CB C 13 36.157 0.300 . 1 . . . . A 120 VAL CB . 34766 1 979 . 1 . 1 80 80 VAL CG1 C 13 21.170 0.300 . 2 . . . . A 120 VAL CG1 . 34766 1 980 . 1 . 1 80 80 VAL CG2 C 13 20.076 0.300 . 2 . . . . A 120 VAL CG2 . 34766 1 981 . 1 . 1 80 80 VAL N N 15 117.712 0.300 . 1 . . . . A 120 VAL N . 34766 1 982 . 1 . 1 81 81 LEU H H 1 8.474 0.020 . 1 . . . . A 121 LEU H . 34766 1 983 . 1 . 1 81 81 LEU HA H 1 4.587 0.020 . 1 . . . . A 121 LEU HA . 34766 1 984 . 1 . 1 81 81 LEU HB2 H 1 1.356 0.020 . 2 . . . . A 121 LEU HB2 . 34766 1 985 . 1 . 1 81 81 LEU HB3 H 1 1.312 0.020 . 2 . . . . A 121 LEU HB3 . 34766 1 986 . 1 . 1 81 81 LEU HG H 1 1.516 0.020 . 1 . . . . A 121 LEU HG . 34766 1 987 . 1 . 1 81 81 LEU HD11 H 1 0.802 0.020 . 2 . . . . A 121 LEU HD11 . 34766 1 988 . 1 . 1 81 81 LEU HD12 H 1 0.802 0.020 . 2 . . . . A 121 LEU HD12 . 34766 1 989 . 1 . 1 81 81 LEU HD13 H 1 0.802 0.020 . 2 . . . . A 121 LEU HD13 . 34766 1 990 . 1 . 1 81 81 LEU HD21 H 1 0.894 0.020 . 2 . . . . A 121 LEU HD21 . 34766 1 991 . 1 . 1 81 81 LEU HD22 H 1 0.894 0.020 . 2 . . . . A 121 LEU HD22 . 34766 1 992 . 1 . 1 81 81 LEU HD23 H 1 0.894 0.020 . 2 . . . . A 121 LEU HD23 . 34766 1 993 . 1 . 1 81 81 LEU C C 13 175.863 0.300 . 1 . . . . A 121 LEU C . 34766 1 994 . 1 . 1 81 81 LEU CA C 13 54.156 0.300 . 1 . . . . A 121 LEU CA . 34766 1 995 . 1 . 1 81 81 LEU CB C 13 46.802 0.300 . 1 . . . . A 121 LEU CB . 34766 1 996 . 1 . 1 81 81 LEU CG C 13 27.267 0.300 . 1 . . . . A 121 LEU CG . 34766 1 997 . 1 . 1 81 81 LEU CD1 C 13 25.788 0.300 . 2 . . . . A 121 LEU CD1 . 34766 1 998 . 1 . 1 81 81 LEU CD2 C 13 24.786 0.300 . 2 . . . . A 121 LEU CD2 . 34766 1 999 . 1 . 1 81 81 LEU N N 15 123.596 0.300 . 1 . . . . A 121 LEU N . 34766 1 1000 . 1 . 1 82 82 ARG H H 1 9.530 0.020 . 1 . . . . A 122 ARG H . 34766 1 1001 . 1 . 1 82 82 ARG HA H 1 3.914 0.020 . 1 . . . . A 122 ARG HA . 34766 1 1002 . 1 . 1 82 82 ARG HB2 H 1 2.001 0.020 . 2 . . . . A 122 ARG HB2 . 34766 1 1003 . 1 . 1 82 82 ARG HB3 H 1 1.862 0.020 . 2 . . . . A 122 ARG HB3 . 34766 1 1004 . 1 . 1 82 82 ARG HG2 H 1 1.589 0.020 . 2 . . . . A 122 ARG HG2 . 34766 1 1005 . 1 . 1 82 82 ARG HG3 H 1 1.513 0.020 . 2 . . . . A 122 ARG HG3 . 34766 1 1006 . 1 . 1 82 82 ARG HD2 H 1 3.218 0.020 . 2 . . . . A 122 ARG HD2 . 34766 1 1007 . 1 . 1 82 82 ARG HD3 H 1 2.989 0.020 . 2 . . . . A 122 ARG HD3 . 34766 1 1008 . 1 . 1 82 82 ARG HE H 1 8.935 0.020 . 1 . . . . A 122 ARG HE . 34766 1 1009 . 1 . 1 82 82 ARG C C 13 176.862 0.300 . 1 . . . . A 122 ARG C . 34766 1 1010 . 1 . 1 82 82 ARG CA C 13 56.812 0.300 . 1 . . . . A 122 ARG CA . 34766 1 1011 . 1 . 1 82 82 ARG CB C 13 28.033 0.300 . 1 . . . . A 122 ARG CB . 34766 1 1012 . 1 . 1 82 82 ARG CG C 13 28.101 0.300 . 1 . . . . A 122 ARG CG . 34766 1 1013 . 1 . 1 82 82 ARG CD C 13 43.909 0.300 . 1 . . . . A 122 ARG CD . 34766 1 1014 . 1 . 1 82 82 ARG N N 15 122.605 0.300 . 1 . . . . A 122 ARG N . 34766 1 1015 . 1 . 1 82 82 ARG NE N 15 85.954 0.300 . 1 . . . . A 122 ARG NE . 34766 1 1016 . 1 . 1 83 83 GLY H H 1 8.424 0.020 . 1 . . . . A 123 GLY H . 34766 1 1017 . 1 . 1 83 83 GLY HA2 H 1 3.519 0.020 . 2 . . . . A 123 GLY HA2 . 34766 1 1018 . 1 . 1 83 83 GLY HA3 H 1 4.128 0.020 . 2 . . . . A 123 GLY HA3 . 34766 1 1019 . 1 . 1 83 83 GLY C C 13 173.462 0.300 . 1 . . . . A 123 GLY C . 34766 1 1020 . 1 . 1 83 83 GLY CA C 13 45.558 0.300 . 1 . . . . A 123 GLY CA . 34766 1 1021 . 1 . 1 83 83 GLY N N 15 103.069 0.300 . 1 . . . . A 123 GLY N . 34766 1 1022 . 1 . 1 84 84 GLN H H 1 7.995 0.020 . 1 . . . . A 124 GLN H . 34766 1 1023 . 1 . 1 84 84 GLN HA H 1 4.965 0.020 . 1 . . . . A 124 GLN HA . 34766 1 1024 . 1 . 1 84 84 GLN HB2 H 1 2.201 0.020 . 2 . . . . A 124 GLN HB2 . 34766 1 1025 . 1 . 1 84 84 GLN HB3 H 1 2.011 0.020 . 2 . . . . A 124 GLN HB3 . 34766 1 1026 . 1 . 1 84 84 GLN HG2 H 1 2.370 0.020 . 2 . . . . A 124 GLN HG2 . 34766 1 1027 . 1 . 1 84 84 GLN HG3 H 1 2.370 0.020 . 2 . . . . A 124 GLN HG3 . 34766 1 1028 . 1 . 1 84 84 GLN HE21 H 1 7.577 0.020 . 2 . . . . A 124 GLN HE21 . 34766 1 1029 . 1 . 1 84 84 GLN HE22 H 1 6.903 0.020 . 2 . . . . A 124 GLN HE22 . 34766 1 1030 . 1 . 1 84 84 GLN C C 13 172.392 0.300 . 1 . . . . A 124 GLN C . 34766 1 1031 . 1 . 1 84 84 GLN CA C 13 52.045 0.300 . 1 . . . . A 124 GLN CA . 34766 1 1032 . 1 . 1 84 84 GLN CB C 13 30.711 0.300 . 1 . . . . A 124 GLN CB . 34766 1 1033 . 1 . 1 84 84 GLN CG C 13 33.334 0.300 . 1 . . . . A 124 GLN CG . 34766 1 1034 . 1 . 1 84 84 GLN N N 15 121.782 0.300 . 1 . . . . A 124 GLN N . 34766 1 1035 . 1 . 1 84 84 GLN NE2 N 15 113.266 0.300 . 1 . . . . A 124 GLN NE2 . 34766 1 1036 . 1 . 1 85 85 PRO HA H 1 4.891 0.020 . 1 . . . . A 125 PRO HA . 34766 1 1037 . 1 . 1 85 85 PRO HB2 H 1 2.142 0.020 . 2 . . . . A 125 PRO HB2 . 34766 1 1038 . 1 . 1 85 85 PRO HB3 H 1 1.815 0.020 . 2 . . . . A 125 PRO HB3 . 34766 1 1039 . 1 . 1 85 85 PRO HG2 H 1 1.949 0.020 . 2 . . . . A 125 PRO HG2 . 34766 1 1040 . 1 . 1 85 85 PRO HG3 H 1 2.161 0.020 . 2 . . . . A 125 PRO HG3 . 34766 1 1041 . 1 . 1 85 85 PRO HD2 H 1 3.751 0.020 . 2 . . . . A 125 PRO HD2 . 34766 1 1042 . 1 . 1 85 85 PRO HD3 H 1 3.878 0.020 . 2 . . . . A 125 PRO HD3 . 34766 1 1043 . 1 . 1 85 85 PRO C C 13 176.545 0.300 . 1 . . . . A 125 PRO C . 34766 1 1044 . 1 . 1 85 85 PRO CA C 13 62.670 0.300 . 1 . . . . A 125 PRO CA . 34766 1 1045 . 1 . 1 85 85 PRO CB C 13 32.189 0.300 . 1 . . . . A 125 PRO CB . 34766 1 1046 . 1 . 1 85 85 PRO CG C 13 27.682 0.300 . 1 . . . . A 125 PRO CG . 34766 1 1047 . 1 . 1 85 85 PRO CD C 13 50.870 0.300 . 1 . . . . A 125 PRO CD . 34766 1 1048 . 1 . 1 85 85 PRO N N 15 136.589 0.300 . 1 . . . . A 125 PRO N . 34766 1 1049 . 1 . 1 86 86 ILE H H 1 7.771 0.020 . 1 . . . . A 126 ILE H . 34766 1 1050 . 1 . 1 86 86 ILE HA H 1 4.617 0.020 . 1 . . . . A 126 ILE HA . 34766 1 1051 . 1 . 1 86 86 ILE HB H 1 1.897 0.020 . 1 . . . . A 126 ILE HB . 34766 1 1052 . 1 . 1 86 86 ILE HG12 H 1 0.716 0.020 . 2 . . . . A 126 ILE HG12 . 34766 1 1053 . 1 . 1 86 86 ILE HG13 H 1 0.914 0.020 . 2 . . . . A 126 ILE HG13 . 34766 1 1054 . 1 . 1 86 86 ILE HG21 H 1 0.865 0.020 . 1 . . . . A 126 ILE HG21 . 34766 1 1055 . 1 . 1 86 86 ILE HG22 H 1 0.865 0.020 . 1 . . . . A 126 ILE HG22 . 34766 1 1056 . 1 . 1 86 86 ILE HG23 H 1 0.865 0.020 . 1 . . . . A 126 ILE HG23 . 34766 1 1057 . 1 . 1 86 86 ILE HD11 H 1 0.573 0.020 . 1 . . . . A 126 ILE HD11 . 34766 1 1058 . 1 . 1 86 86 ILE HD12 H 1 0.573 0.020 . 1 . . . . A 126 ILE HD12 . 34766 1 1059 . 1 . 1 86 86 ILE HD13 H 1 0.573 0.020 . 1 . . . . A 126 ILE HD13 . 34766 1 1060 . 1 . 1 86 86 ILE C C 13 173.720 0.300 . 1 . . . . A 126 ILE C . 34766 1 1061 . 1 . 1 86 86 ILE CA C 13 59.205 0.300 . 1 . . . . A 126 ILE CA . 34766 1 1062 . 1 . 1 86 86 ILE CB C 13 39.776 0.300 . 1 . . . . A 126 ILE CB . 34766 1 1063 . 1 . 1 86 86 ILE CG1 C 13 25.947 0.300 . 1 . . . . A 126 ILE CG1 . 34766 1 1064 . 1 . 1 86 86 ILE CG2 C 13 18.221 0.300 . 1 . . . . A 126 ILE CG2 . 34766 1 1065 . 1 . 1 86 86 ILE CD1 C 13 14.870 0.300 . 1 . . . . A 126 ILE CD1 . 34766 1 1066 . 1 . 1 86 86 ILE N N 15 117.331 0.300 . 1 . . . . A 126 ILE N . 34766 1 1067 . 1 . 1 87 87 TYR H H 1 7.733 0.020 . 1 . . . . A 127 TYR H . 34766 1 1068 . 1 . 1 87 87 TYR HA H 1 4.876 0.020 . 1 . . . . A 127 TYR HA . 34766 1 1069 . 1 . 1 87 87 TYR HB2 H 1 2.752 0.020 . 2 . . . . A 127 TYR HB2 . 34766 1 1070 . 1 . 1 87 87 TYR HB3 H 1 2.597 0.020 . 2 . . . . A 127 TYR HB3 . 34766 1 1071 . 1 . 1 87 87 TYR HD1 H 1 6.949 0.020 . 1 . . . . A 127 TYR HD1 . 34766 1 1072 . 1 . 1 87 87 TYR HD2 H 1 6.949 0.020 . 1 . . . . A 127 TYR HD2 . 34766 1 1073 . 1 . 1 87 87 TYR HE1 H 1 6.759 0.020 . 1 . . . . A 127 TYR HE1 . 34766 1 1074 . 1 . 1 87 87 TYR HE2 H 1 6.759 0.020 . 1 . . . . A 127 TYR HE2 . 34766 1 1075 . 1 . 1 87 87 TYR C C 13 174.255 0.300 . 1 . . . . A 127 TYR C . 34766 1 1076 . 1 . 1 87 87 TYR CA C 13 56.965 0.300 . 1 . . . . A 127 TYR CA . 34766 1 1077 . 1 . 1 87 87 TYR CB C 13 41.242 0.300 . 1 . . . . A 127 TYR CB . 34766 1 1078 . 1 . 1 87 87 TYR CD1 C 13 132.638 0.300 . 1 . . . . A 127 TYR CD1 . 34766 1 1079 . 1 . 1 87 87 TYR CE1 C 13 118.166 0.300 . 1 . . . . A 127 TYR CE1 . 34766 1 1080 . 1 . 1 87 87 TYR N N 15 118.625 0.300 . 1 . . . . A 127 TYR N . 34766 1 1081 . 1 . 1 88 88 ILE H H 1 8.344 0.020 . 1 . . . . A 128 ILE H . 34766 1 1082 . 1 . 1 88 88 ILE HA H 1 4.660 0.020 . 1 . . . . A 128 ILE HA . 34766 1 1083 . 1 . 1 88 88 ILE HB H 1 1.512 0.020 . 1 . . . . A 128 ILE HB . 34766 1 1084 . 1 . 1 88 88 ILE HG12 H 1 0.828 0.020 . 2 . . . . A 128 ILE HG12 . 34766 1 1085 . 1 . 1 88 88 ILE HG13 H 1 1.240 0.020 . 2 . . . . A 128 ILE HG13 . 34766 1 1086 . 1 . 1 88 88 ILE HG21 H 1 0.620 0.020 . 1 . . . . A 128 ILE HG21 . 34766 1 1087 . 1 . 1 88 88 ILE HG22 H 1 0.620 0.020 . 1 . . . . A 128 ILE HG22 . 34766 1 1088 . 1 . 1 88 88 ILE HG23 H 1 0.620 0.020 . 1 . . . . A 128 ILE HG23 . 34766 1 1089 . 1 . 1 88 88 ILE HD11 H 1 0.378 0.020 . 1 . . . . A 128 ILE HD11 . 34766 1 1090 . 1 . 1 88 88 ILE HD12 H 1 0.378 0.020 . 1 . . . . A 128 ILE HD12 . 34766 1 1091 . 1 . 1 88 88 ILE HD13 H 1 0.378 0.020 . 1 . . . . A 128 ILE HD13 . 34766 1 1092 . 1 . 1 88 88 ILE C C 13 173.552 0.300 . 1 . . . . A 128 ILE C . 34766 1 1093 . 1 . 1 88 88 ILE CA C 13 60.294 0.300 . 1 . . . . A 128 ILE CA . 34766 1 1094 . 1 . 1 88 88 ILE CB C 13 40.776 0.300 . 1 . . . . A 128 ILE CB . 34766 1 1095 . 1 . 1 88 88 ILE CG1 C 13 27.899 0.300 . 1 . . . . A 128 ILE CG1 . 34766 1 1096 . 1 . 1 88 88 ILE CG2 C 13 17.850 0.300 . 1 . . . . A 128 ILE CG2 . 34766 1 1097 . 1 . 1 88 88 ILE CD1 C 13 14.483 0.300 . 1 . . . . A 128 ILE CD1 . 34766 1 1098 . 1 . 1 88 88 ILE N N 15 124.531 0.300 . 1 . . . . A 128 ILE N . 34766 1 1099 . 1 . 1 89 89 GLN H H 1 8.439 0.020 . 1 . . . . A 129 GLN H . 34766 1 1100 . 1 . 1 89 89 GLN HA H 1 4.548 0.020 . 1 . . . . A 129 GLN HA . 34766 1 1101 . 1 . 1 89 89 GLN HB2 H 1 2.239 0.020 . 2 . . . . A 129 GLN HB2 . 34766 1 1102 . 1 . 1 89 89 GLN HB3 H 1 2.115 0.020 . 2 . . . . A 129 GLN HB3 . 34766 1 1103 . 1 . 1 89 89 GLN HG2 H 1 2.400 0.020 . 2 . . . . A 129 GLN HG2 . 34766 1 1104 . 1 . 1 89 89 GLN HG3 H 1 2.310 0.020 . 2 . . . . A 129 GLN HG3 . 34766 1 1105 . 1 . 1 89 89 GLN HE21 H 1 7.621 0.020 . 2 . . . . A 129 GLN HE21 . 34766 1 1106 . 1 . 1 89 89 GLN HE22 H 1 6.911 0.020 . 2 . . . . A 129 GLN HE22 . 34766 1 1107 . 1 . 1 89 89 GLN C C 13 174.781 0.300 . 1 . . . . A 129 GLN C . 34766 1 1108 . 1 . 1 89 89 GLN CA C 13 54.041 0.300 . 1 . . . . A 129 GLN CA . 34766 1 1109 . 1 . 1 89 89 GLN CB C 13 33.319 0.300 . 1 . . . . A 129 GLN CB . 34766 1 1110 . 1 . 1 89 89 GLN CG C 13 33.407 0.300 . 1 . . . . A 129 GLN CG . 34766 1 1111 . 1 . 1 89 89 GLN N N 15 122.211 0.300 . 1 . . . . A 129 GLN N . 34766 1 1112 . 1 . 1 89 89 GLN NE2 N 15 112.265 0.300 . 1 . . . . A 129 GLN NE2 . 34766 1 1113 . 1 . 1 90 90 PHE H H 1 8.921 0.020 . 1 . . . . A 130 PHE H . 34766 1 1114 . 1 . 1 90 90 PHE HA H 1 4.753 0.020 . 1 . . . . A 130 PHE HA . 34766 1 1115 . 1 . 1 90 90 PHE HB2 H 1 3.355 0.020 . 2 . . . . A 130 PHE HB2 . 34766 1 1116 . 1 . 1 90 90 PHE HB3 H 1 2.878 0.020 . 2 . . . . A 130 PHE HB3 . 34766 1 1117 . 1 . 1 90 90 PHE HD1 H 1 7.439 0.020 . 1 . . . . A 130 PHE HD1 . 34766 1 1118 . 1 . 1 90 90 PHE HD2 H 1 7.439 0.020 . 1 . . . . A 130 PHE HD2 . 34766 1 1119 . 1 . 1 90 90 PHE HE1 H 1 7.352 0.020 . 1 . . . . A 130 PHE HE1 . 34766 1 1120 . 1 . 1 90 90 PHE HE2 H 1 7.352 0.020 . 1 . . . . A 130 PHE HE2 . 34766 1 1121 . 1 . 1 90 90 PHE HZ H 1 7.404 0.020 . 1 . . . . A 130 PHE HZ . 34766 1 1122 . 1 . 1 90 90 PHE C C 13 177.318 0.300 . 1 . . . . A 130 PHE C . 34766 1 1123 . 1 . 1 90 90 PHE CA C 13 60.825 0.300 . 1 . . . . A 130 PHE CA . 34766 1 1124 . 1 . 1 90 90 PHE CB C 13 40.041 0.300 . 1 . . . . A 130 PHE CB . 34766 1 1125 . 1 . 1 90 90 PHE CD1 C 13 131.878 0.300 . 1 . . . . A 130 PHE CD1 . 34766 1 1126 . 1 . 1 90 90 PHE CE1 C 13 131.823 0.300 . 1 . . . . A 130 PHE CE1 . 34766 1 1127 . 1 . 1 90 90 PHE CZ C 13 130.182 0.300 . 1 . . . . A 130 PHE CZ . 34766 1 1128 . 1 . 1 90 90 PHE N N 15 119.879 0.300 . 1 . . . . A 130 PHE N . 34766 1 1129 . 1 . 1 91 91 SER H H 1 8.875 0.020 . 1 . . . . A 131 SER H . 34766 1 1130 . 1 . 1 91 91 SER HA H 1 4.793 0.020 . 1 . . . . A 131 SER HA . 34766 1 1131 . 1 . 1 91 91 SER HB2 H 1 3.992 0.020 . 2 . . . . A 131 SER HB2 . 34766 1 1132 . 1 . 1 91 91 SER HB3 H 1 3.879 0.020 . 2 . . . . A 131 SER HB3 . 34766 1 1133 . 1 . 1 91 91 SER C C 13 174.493 0.300 . 1 . . . . A 131 SER C . 34766 1 1134 . 1 . 1 91 91 SER CA C 13 57.345 0.300 . 1 . . . . A 131 SER CA . 34766 1 1135 . 1 . 1 91 91 SER CB C 13 64.759 0.300 . 1 . . . . A 131 SER CB . 34766 1 1136 . 1 . 1 91 91 SER N N 15 115.304 0.300 . 1 . . . . A 131 SER N . 34766 1 1137 . 1 . 1 92 92 ASN HB2 H 1 2.791 0.020 . 2 . . . . A 132 ASN HB2 . 34766 1 1138 . 1 . 1 92 92 ASN HB3 H 1 2.720 0.020 . 2 . . . . A 132 ASN HB3 . 34766 1 1139 . 1 . 1 92 92 ASN HD21 H 1 7.574 0.020 . 2 . . . . A 132 ASN HD21 . 34766 1 1140 . 1 . 1 92 92 ASN HD22 H 1 6.852 0.020 . 2 . . . . A 132 ASN HD22 . 34766 1 1141 . 1 . 1 92 92 ASN CB C 13 38.588 0.300 . 1 . . . . A 132 ASN CB . 34766 1 1142 . 1 . 1 92 92 ASN ND2 N 15 112.597 0.300 . 1 . . . . A 132 ASN ND2 . 34766 1 1143 . 1 . 1 93 93 HIS H H 1 8.280 0.020 . 1 . . . . A 133 HIS H . 34766 1 1144 . 1 . 1 93 93 HIS HA H 1 4.506 0.020 . 1 . . . . A 133 HIS HA . 34766 1 1145 . 1 . 1 93 93 HIS HB2 H 1 3.021 0.020 . 2 . . . . A 133 HIS HB2 . 34766 1 1146 . 1 . 1 93 93 HIS HB3 H 1 2.785 0.020 . 2 . . . . A 133 HIS HB3 . 34766 1 1147 . 1 . 1 93 93 HIS HD2 H 1 6.642 0.020 . 1 . . . . A 133 HIS HD2 . 34766 1 1148 . 1 . 1 93 93 HIS HE1 H 1 7.608 0.020 . 1 . . . . A 133 HIS HE1 . 34766 1 1149 . 1 . 1 93 93 HIS CA C 13 56.794 0.300 . 1 . . . . A 133 HIS CA . 34766 1 1150 . 1 . 1 93 93 HIS CB C 13 31.211 0.300 . 1 . . . . A 133 HIS CB . 34766 1 1151 . 1 . 1 93 93 HIS CD2 C 13 119.506 0.300 . 1 . . . . A 133 HIS CD2 . 34766 1 1152 . 1 . 1 93 93 HIS CE1 C 13 138.581 0.300 . 1 . . . . A 133 HIS CE1 . 34766 1 1153 . 1 . 1 93 93 HIS N N 15 119.749 0.300 . 1 . . . . A 133 HIS N . 34766 1 1154 . 1 . 1 94 94 LYS HA H 1 4.301 0.020 . 1 . . . . A 134 LYS HA . 34766 1 1155 . 1 . 1 94 94 LYS HB2 H 1 1.775 0.020 . 2 . . . . A 134 LYS HB2 . 34766 1 1156 . 1 . 1 94 94 LYS HB3 H 1 1.873 0.020 . 2 . . . . A 134 LYS HB3 . 34766 1 1157 . 1 . 1 94 94 LYS HG2 H 1 1.413 0.020 . 2 . . . . A 134 LYS HG2 . 34766 1 1158 . 1 . 1 94 94 LYS HG3 H 1 1.456 0.020 . 2 . . . . A 134 LYS HG3 . 34766 1 1159 . 1 . 1 94 94 LYS HD2 H 1 1.670 0.020 . 2 . . . . A 134 LYS HD2 . 34766 1 1160 . 1 . 1 94 94 LYS HD3 H 1 1.670 0.020 . 2 . . . . A 134 LYS HD3 . 34766 1 1161 . 1 . 1 94 94 LYS HE2 H 1 2.998 0.020 . 2 . . . . A 134 LYS HE2 . 34766 1 1162 . 1 . 1 94 94 LYS HE3 H 1 2.998 0.020 . 2 . . . . A 134 LYS HE3 . 34766 1 1163 . 1 . 1 94 94 LYS C C 13 176.218 0.300 . 1 . . . . A 134 LYS C . 34766 1 1164 . 1 . 1 94 94 LYS CA C 13 57.091 0.300 . 1 . . . . A 134 LYS CA . 34766 1 1165 . 1 . 1 94 94 LYS CB C 13 33.049 0.300 . 1 . . . . A 134 LYS CB . 34766 1 1166 . 1 . 1 94 94 LYS CG C 13 24.889 0.300 . 1 . . . . A 134 LYS CG . 34766 1 1167 . 1 . 1 94 94 LYS CD C 13 28.992 0.300 . 1 . . . . A 134 LYS CD . 34766 1 1168 . 1 . 1 94 94 LYS CE C 13 42.156 0.300 . 1 . . . . A 134 LYS CE . 34766 1 1169 . 1 . 1 95 95 GLU H H 1 7.838 0.020 . 1 . . . . A 135 GLU H . 34766 1 1170 . 1 . 1 95 95 GLU HA H 1 4.258 0.020 . 1 . . . . A 135 GLU HA . 34766 1 1171 . 1 . 1 95 95 GLU HB2 H 1 1.828 0.020 . 2 . . . . A 135 GLU HB2 . 34766 1 1172 . 1 . 1 95 95 GLU HB3 H 1 1.969 0.020 . 2 . . . . A 135 GLU HB3 . 34766 1 1173 . 1 . 1 95 95 GLU HG2 H 1 2.092 0.020 . 2 . . . . A 135 GLU HG2 . 34766 1 1174 . 1 . 1 95 95 GLU HG3 H 1 2.092 0.020 . 2 . . . . A 135 GLU HG3 . 34766 1 1175 . 1 . 1 95 95 GLU C C 13 175.157 0.300 . 1 . . . . A 135 GLU C . 34766 1 1176 . 1 . 1 95 95 GLU CA C 13 55.359 0.300 . 1 . . . . A 135 GLU CA . 34766 1 1177 . 1 . 1 95 95 GLU CB C 13 31.365 0.300 . 1 . . . . A 135 GLU CB . 34766 1 1178 . 1 . 1 95 95 GLU CG C 13 35.634 0.300 . 1 . . . . A 135 GLU CG . 34766 1 1179 . 1 . 1 95 95 GLU N N 15 116.624 0.300 . 1 . . . . A 135 GLU N . 34766 1 1180 . 1 . 1 96 96 LEU H H 1 8.552 0.020 . 1 . . . . A 136 LEU H . 34766 1 1181 . 1 . 1 96 96 LEU HA H 1 4.237 0.020 . 1 . . . . A 136 LEU HA . 34766 1 1182 . 1 . 1 96 96 LEU HB2 H 1 1.390 0.020 . 2 . . . . A 136 LEU HB2 . 34766 1 1183 . 1 . 1 96 96 LEU HB3 H 1 1.427 0.020 . 2 . . . . A 136 LEU HB3 . 34766 1 1184 . 1 . 1 96 96 LEU HG H 1 1.380 0.020 . 1 . . . . A 136 LEU HG . 34766 1 1185 . 1 . 1 96 96 LEU HD11 H 1 0.628 0.020 . 2 . . . . A 136 LEU HD11 . 34766 1 1186 . 1 . 1 96 96 LEU HD12 H 1 0.628 0.020 . 2 . . . . A 136 LEU HD12 . 34766 1 1187 . 1 . 1 96 96 LEU HD13 H 1 0.628 0.020 . 2 . . . . A 136 LEU HD13 . 34766 1 1188 . 1 . 1 96 96 LEU HD21 H 1 0.552 0.020 . 2 . . . . A 136 LEU HD21 . 34766 1 1189 . 1 . 1 96 96 LEU HD22 H 1 0.552 0.020 . 2 . . . . A 136 LEU HD22 . 34766 1 1190 . 1 . 1 96 96 LEU HD23 H 1 0.552 0.020 . 2 . . . . A 136 LEU HD23 . 34766 1 1191 . 1 . 1 96 96 LEU C C 13 176.020 0.300 . 1 . . . . A 136 LEU C . 34766 1 1192 . 1 . 1 96 96 LEU CA C 13 54.346 0.300 . 1 . . . . A 136 LEU CA . 34766 1 1193 . 1 . 1 96 96 LEU CB C 13 42.536 0.300 . 1 . . . . A 136 LEU CB . 34766 1 1194 . 1 . 1 96 96 LEU CG C 13 26.922 0.300 . 1 . . . . A 136 LEU CG . 34766 1 1195 . 1 . 1 96 96 LEU CD1 C 13 24.932 0.300 . 2 . . . . A 136 LEU CD1 . 34766 1 1196 . 1 . 1 96 96 LEU CD2 C 13 23.901 0.300 . 2 . . . . A 136 LEU CD2 . 34766 1 1197 . 1 . 1 96 96 LEU N N 15 122.715 0.300 . 1 . . . . A 136 LEU N . 34766 1 1198 . 1 . 1 97 97 LYS H H 1 8.173 0.020 . 1 . . . . A 137 LYS H . 34766 1 1199 . 1 . 1 97 97 LYS HA H 1 4.411 0.020 . 1 . . . . A 137 LYS HA . 34766 1 1200 . 1 . 1 97 97 LYS HB2 H 1 1.787 0.020 . 2 . . . . A 137 LYS HB2 . 34766 1 1201 . 1 . 1 97 97 LYS HB3 H 1 1.675 0.020 . 2 . . . . A 137 LYS HB3 . 34766 1 1202 . 1 . 1 97 97 LYS HG2 H 1 1.304 0.020 . 2 . . . . A 137 LYS HG2 . 34766 1 1203 . 1 . 1 97 97 LYS HG3 H 1 1.363 0.020 . 2 . . . . A 137 LYS HG3 . 34766 1 1204 . 1 . 1 97 97 LYS HD2 H 1 1.630 0.020 . 2 . . . . A 137 LYS HD2 . 34766 1 1205 . 1 . 1 97 97 LYS HD3 H 1 1.630 0.020 . 2 . . . . A 137 LYS HD3 . 34766 1 1206 . 1 . 1 97 97 LYS HE2 H 1 2.947 0.020 . 2 . . . . A 137 LYS HE2 . 34766 1 1207 . 1 . 1 97 97 LYS HE3 H 1 2.947 0.020 . 2 . . . . A 137 LYS HE3 . 34766 1 1208 . 1 . 1 97 97 LYS C C 13 176.406 0.300 . 1 . . . . A 137 LYS C . 34766 1 1209 . 1 . 1 97 97 LYS CA C 13 55.683 0.300 . 1 . . . . A 137 LYS CA . 34766 1 1210 . 1 . 1 97 97 LYS CB C 13 33.035 0.300 . 1 . . . . A 137 LYS CB . 34766 1 1211 . 1 . 1 97 97 LYS CG C 13 24.639 0.300 . 1 . . . . A 137 LYS CG . 34766 1 1212 . 1 . 1 97 97 LYS CD C 13 29.082 0.300 . 1 . . . . A 137 LYS CD . 34766 1 1213 . 1 . 1 97 97 LYS CE C 13 42.156 0.300 . 1 . . . . A 137 LYS CE . 34766 1 1214 . 1 . 1 97 97 LYS N N 15 123.470 0.300 . 1 . . . . A 137 LYS N . 34766 1 1215 . 1 . 1 98 98 THR H H 1 8.280 0.020 . 1 . . . . A 138 THR H . 34766 1 1216 . 1 . 1 98 98 THR HA H 1 4.363 0.020 . 1 . . . . A 138 THR HA . 34766 1 1217 . 1 . 1 98 98 THR HB H 1 4.259 0.020 . 1 . . . . A 138 THR HB . 34766 1 1218 . 1 . 1 98 98 THR HG21 H 1 1.133 0.020 . 1 . . . . A 138 THR HG21 . 34766 1 1219 . 1 . 1 98 98 THR HG22 H 1 1.133 0.020 . 1 . . . . A 138 THR HG22 . 34766 1 1220 . 1 . 1 98 98 THR HG23 H 1 1.133 0.020 . 1 . . . . A 138 THR HG23 . 34766 1 1221 . 1 . 1 98 98 THR C C 13 174.325 0.300 . 1 . . . . A 138 THR C . 34766 1 1222 . 1 . 1 98 98 THR CA C 13 61.522 0.300 . 1 . . . . A 138 THR CA . 34766 1 1223 . 1 . 1 98 98 THR CB C 13 69.959 0.300 . 1 . . . . A 138 THR CB . 34766 1 1224 . 1 . 1 98 98 THR CG2 C 13 21.597 0.300 . 1 . . . . A 138 THR CG2 . 34766 1 1225 . 1 . 1 98 98 THR N N 15 115.560 0.300 . 1 . . . . A 138 THR N . 34766 1 1226 . 1 . 1 99 99 ASP H H 1 8.402 0.020 . 1 . . . . A 139 ASP H . 34766 1 1227 . 1 . 1 99 99 ASP HA H 1 4.662 0.020 . 1 . . . . A 139 ASP HA . 34766 1 1228 . 1 . 1 99 99 ASP HB2 H 1 2.729 0.020 . 2 . . . . A 139 ASP HB2 . 34766 1 1229 . 1 . 1 99 99 ASP HB3 H 1 2.695 0.020 . 2 . . . . A 139 ASP HB3 . 34766 1 1230 . 1 . 1 99 99 ASP C C 13 176.149 0.300 . 1 . . . . A 139 ASP C . 34766 1 1231 . 1 . 1 99 99 ASP CA C 13 54.225 0.300 . 1 . . . . A 139 ASP CA . 34766 1 1232 . 1 . 1 99 99 ASP CB C 13 41.388 0.300 . 1 . . . . A 139 ASP CB . 34766 1 1233 . 1 . 1 99 99 ASP N N 15 122.623 0.300 . 1 . . . . A 139 ASP N . 34766 1 1234 . 1 . 1 100 100 SER H H 1 8.288 0.020 . 1 . . . . A 140 SER H . 34766 1 1235 . 1 . 1 100 100 SER HA H 1 4.518 0.020 . 1 . . . . A 140 SER HA . 34766 1 1236 . 1 . 1 100 100 SER HB2 H 1 3.882 0.020 . 2 . . . . A 140 SER HB2 . 34766 1 1237 . 1 . 1 100 100 SER HB3 H 1 3.882 0.020 . 2 . . . . A 140 SER HB3 . 34766 1 1238 . 1 . 1 100 100 SER C C 13 174.364 0.300 . 1 . . . . A 140 SER C . 34766 1 1239 . 1 . 1 100 100 SER CA C 13 58.136 0.300 . 1 . . . . A 140 SER CA . 34766 1 1240 . 1 . 1 100 100 SER CB C 13 63.468 0.300 . 1 . . . . A 140 SER CB . 34766 1 1241 . 1 . 1 100 100 SER N N 15 115.882 0.300 . 1 . . . . A 140 SER N . 34766 1 1242 . 1 . 1 101 101 SER H H 1 8.329 0.020 . 1 . . . . A 141 SER H . 34766 1 1243 . 1 . 1 101 101 SER HA H 1 4.757 0.020 . 1 . . . . A 141 SER HA . 34766 1 1244 . 1 . 1 101 101 SER HB2 H 1 3.969 0.020 . 2 . . . . A 141 SER HB2 . 34766 1 1245 . 1 . 1 101 101 SER HB3 H 1 3.936 0.020 . 2 . . . . A 141 SER HB3 . 34766 1 1246 . 1 . 1 101 101 SER C C 13 173.349 0.300 . 1 . . . . A 141 SER C . 34766 1 1247 . 1 . 1 101 101 SER CA C 13 57.038 0.300 . 1 . . . . A 141 SER CA . 34766 1 1248 . 1 . 1 101 101 SER CB C 13 63.337 0.300 . 1 . . . . A 141 SER CB . 34766 1 1249 . 1 . 1 101 101 SER N N 15 119.097 0.300 . 1 . . . . A 141 SER N . 34766 1 1250 . 1 . 1 102 102 PRO HA H 1 4.473 0.020 . 1 . . . . A 142 PRO HA . 34766 1 1251 . 1 . 1 102 102 PRO HB2 H 1 2.342 0.020 . 2 . . . . A 142 PRO HB2 . 34766 1 1252 . 1 . 1 102 102 PRO HB3 H 1 1.951 0.020 . 2 . . . . A 142 PRO HB3 . 34766 1 1253 . 1 . 1 102 102 PRO HG2 H 1 2.049 0.020 . 2 . . . . A 142 PRO HG2 . 34766 1 1254 . 1 . 1 102 102 PRO HG3 H 1 1.957 0.020 . 2 . . . . A 142 PRO HG3 . 34766 1 1255 . 1 . 1 102 102 PRO HD2 H 1 3.778 0.020 . 2 . . . . A 142 PRO HD2 . 34766 1 1256 . 1 . 1 102 102 PRO HD3 H 1 3.865 0.020 . 2 . . . . A 142 PRO HD3 . 34766 1 1257 . 1 . 1 102 102 PRO CA C 13 64.062 0.300 . 1 . . . . A 142 PRO CA . 34766 1 1258 . 1 . 1 102 102 PRO CB C 13 32.019 0.300 . 1 . . . . A 142 PRO CB . 34766 1 1259 . 1 . 1 102 102 PRO CG C 13 27.493 0.300 . 1 . . . . A 142 PRO CG . 34766 1 1260 . 1 . 1 102 102 PRO CD C 13 50.798 0.300 . 1 . . . . A 142 PRO CD . 34766 1 1261 . 1 . 1 102 102 PRO N N 15 138.148 0.300 . 1 . . . . A 142 PRO N . 34766 1 1262 . 1 . 1 103 103 ASN H H 1 8.430 0.020 . 1 . . . . A 143 ASN H . 34766 1 1263 . 1 . 1 103 103 ASN HA H 1 4.655 0.020 . 1 . . . . A 143 ASN HA . 34766 1 1264 . 1 . 1 103 103 ASN HB2 H 1 2.815 0.020 . 2 . . . . A 143 ASN HB2 . 34766 1 1265 . 1 . 1 103 103 ASN HB3 H 1 2.878 0.020 . 2 . . . . A 143 ASN HB3 . 34766 1 1266 . 1 . 1 103 103 ASN HD21 H 1 7.011 0.020 . 2 . . . . A 143 ASN HD21 . 34766 1 1267 . 1 . 1 103 103 ASN HD22 H 1 7.697 0.020 . 2 . . . . A 143 ASN HD22 . 34766 1 1268 . 1 . 1 103 103 ASN C C 13 175.980 0.300 . 1 . . . . A 143 ASN C . 34766 1 1269 . 1 . 1 103 103 ASN CA C 13 54.034 0.300 . 1 . . . . A 143 ASN CA . 34766 1 1270 . 1 . 1 103 103 ASN CB C 13 38.595 0.300 . 1 . . . . A 143 ASN CB . 34766 1 1271 . 1 . 1 103 103 ASN N N 15 117.510 0.300 . 1 . . . . A 143 ASN N . 34766 1 1272 . 1 . 1 103 103 ASN ND2 N 15 113.183 0.300 . 1 . . . . A 143 ASN ND2 . 34766 1 1273 . 1 . 1 104 104 GLN H H 1 8.271 0.020 . 1 . . . . A 144 GLN H . 34766 1 1274 . 1 . 1 104 104 GLN HA H 1 4.318 0.020 . 1 . . . . A 144 GLN HA . 34766 1 1275 . 1 . 1 104 104 GLN HB2 H 1 2.203 0.020 . 2 . . . . A 144 GLN HB2 . 34766 1 1276 . 1 . 1 104 104 GLN HB3 H 1 2.072 0.020 . 2 . . . . A 144 GLN HB3 . 34766 1 1277 . 1 . 1 104 104 GLN HG2 H 1 2.435 0.020 . 2 . . . . A 144 GLN HG2 . 34766 1 1278 . 1 . 1 104 104 GLN HG3 H 1 2.435 0.020 . 2 . . . . A 144 GLN HG3 . 34766 1 1279 . 1 . 1 104 104 GLN HE21 H 1 7.022 0.020 . 2 . . . . A 144 GLN HE21 . 34766 1 1280 . 1 . 1 104 104 GLN HE22 H 1 7.574 0.020 . 2 . . . . A 144 GLN HE22 . 34766 1 1281 . 1 . 1 104 104 GLN C C 13 176.387 0.300 . 1 . . . . A 144 GLN C . 34766 1 1282 . 1 . 1 104 104 GLN CA C 13 56.592 0.300 . 1 . . . . A 144 GLN CA . 34766 1 1283 . 1 . 1 104 104 GLN CB C 13 29.155 0.300 . 1 . . . . A 144 GLN CB . 34766 1 1284 . 1 . 1 104 104 GLN CG C 13 33.838 0.300 . 1 . . . . A 144 GLN CG . 34766 1 1285 . 1 . 1 104 104 GLN N N 15 121.215 0.300 . 1 . . . . A 144 GLN N . 34766 1 1286 . 1 . 1 104 104 GLN NE2 N 15 112.666 0.300 . 1 . . . . A 144 GLN NE2 . 34766 1 1287 . 1 . 1 105 105 ALA H H 1 8.278 0.020 . 1 . . . . A 145 ALA H . 34766 1 1288 . 1 . 1 105 105 ALA HA H 1 4.262 0.020 . 1 . . . . A 145 ALA HA . 34766 1 1289 . 1 . 1 105 105 ALA HB1 H 1 1.449 0.020 . 1 . . . . A 145 ALA HB1 . 34766 1 1290 . 1 . 1 105 105 ALA HB2 H 1 1.449 0.020 . 1 . . . . A 145 ALA HB2 . 34766 1 1291 . 1 . 1 105 105 ALA HB3 H 1 1.449 0.020 . 1 . . . . A 145 ALA HB3 . 34766 1 1292 . 1 . 1 105 105 ALA C C 13 178.954 0.300 . 1 . . . . A 145 ALA C . 34766 1 1293 . 1 . 1 105 105 ALA CA C 13 53.754 0.300 . 1 . . . . A 145 ALA CA . 34766 1 1294 . 1 . 1 105 105 ALA CB C 13 18.694 0.300 . 1 . . . . A 145 ALA CB . 34766 1 1295 . 1 . 1 105 105 ALA N N 15 124.205 0.300 . 1 . . . . A 145 ALA N . 34766 1 1296 . 1 . 1 106 106 ARG H H 1 8.174 0.020 . 1 . . . . A 146 ARG H . 34766 1 1297 . 1 . 1 106 106 ARG HA H 1 4.250 0.020 . 1 . . . . A 146 ARG HA . 34766 1 1298 . 1 . 1 106 106 ARG HB2 H 1 1.870 0.020 . 2 . . . . A 146 ARG HB2 . 34766 1 1299 . 1 . 1 106 106 ARG HB3 H 1 1.832 0.020 . 2 . . . . A 146 ARG HB3 . 34766 1 1300 . 1 . 1 106 106 ARG HG2 H 1 1.723 0.020 . 2 . . . . A 146 ARG HG2 . 34766 1 1301 . 1 . 1 106 106 ARG HG3 H 1 1.723 0.020 . 2 . . . . A 146 ARG HG3 . 34766 1 1302 . 1 . 1 106 106 ARG HD2 H 1 3.242 0.020 . 2 . . . . A 146 ARG HD2 . 34766 1 1303 . 1 . 1 106 106 ARG HD3 H 1 3.242 0.020 . 2 . . . . A 146 ARG HD3 . 34766 1 1304 . 1 . 1 106 106 ARG C C 13 177.328 0.300 . 1 . . . . A 146 ARG C . 34766 1 1305 . 1 . 1 106 106 ARG CA C 13 57.207 0.300 . 1 . . . . A 146 ARG CA . 34766 1 1306 . 1 . 1 106 106 ARG CB C 13 30.633 0.300 . 1 . . . . A 146 ARG CB . 34766 1 1307 . 1 . 1 106 106 ARG CG C 13 27.437 0.300 . 1 . . . . A 146 ARG CG . 34766 1 1308 . 1 . 1 106 106 ARG CD C 13 43.441 0.300 . 1 . . . . A 146 ARG CD . 34766 1 1309 . 1 . 1 106 106 ARG N N 15 119.508 0.300 . 1 . . . . A 146 ARG N . 34766 1 1310 . 1 . 1 107 107 ALA H H 1 8.145 0.020 . 1 . . . . A 147 ALA H . 34766 1 1311 . 1 . 1 107 107 ALA HA H 1 4.203 0.020 . 1 . . . . A 147 ALA HA . 34766 1 1312 . 1 . 1 107 107 ALA HB1 H 1 1.485 0.020 . 1 . . . . A 147 ALA HB1 . 34766 1 1313 . 1 . 1 107 107 ALA HB2 H 1 1.485 0.020 . 1 . . . . A 147 ALA HB2 . 34766 1 1314 . 1 . 1 107 107 ALA HB3 H 1 1.485 0.020 . 1 . . . . A 147 ALA HB3 . 34766 1 1315 . 1 . 1 107 107 ALA C C 13 178.359 0.300 . 1 . . . . A 147 ALA C . 34766 1 1316 . 1 . 1 107 107 ALA CA C 13 53.781 0.300 . 1 . . . . A 147 ALA CA . 34766 1 1317 . 1 . 1 107 107 ALA CB C 13 18.839 0.300 . 1 . . . . A 147 ALA CB . 34766 1 1318 . 1 . 1 107 107 ALA N N 15 124.492 0.300 . 1 . . . . A 147 ALA N . 34766 1 1319 . 1 . 1 108 108 GLN H H 1 8.354 0.020 . 1 . . . . A 148 GLN H . 34766 1 1320 . 1 . 1 108 108 GLN HA H 1 4.198 0.020 . 1 . . . . A 148 GLN HA . 34766 1 1321 . 1 . 1 108 108 GLN HB2 H 1 2.139 0.020 . 2 . . . . A 148 GLN HB2 . 34766 1 1322 . 1 . 1 108 108 GLN HB3 H 1 2.080 0.020 . 2 . . . . A 148 GLN HB3 . 34766 1 1323 . 1 . 1 108 108 GLN HG2 H 1 2.443 0.020 . 2 . . . . A 148 GLN HG2 . 34766 1 1324 . 1 . 1 108 108 GLN HG3 H 1 2.443 0.020 . 2 . . . . A 148 GLN HG3 . 34766 1 1325 . 1 . 1 108 108 GLN HE21 H 1 6.901 0.020 . 2 . . . . A 148 GLN HE21 . 34766 1 1326 . 1 . 1 108 108 GLN HE22 H 1 7.556 0.020 . 2 . . . . A 148 GLN HE22 . 34766 1 1327 . 1 . 1 108 108 GLN C C 13 176.902 0.300 . 1 . . . . A 148 GLN C . 34766 1 1328 . 1 . 1 108 108 GLN CA C 13 56.995 0.300 . 1 . . . . A 148 GLN CA . 34766 1 1329 . 1 . 1 108 108 GLN CB C 13 29.066 0.300 . 1 . . . . A 148 GLN CB . 34766 1 1330 . 1 . 1 108 108 GLN CG C 13 33.940 0.300 . 1 . . . . A 148 GLN CG . 34766 1 1331 . 1 . 1 108 108 GLN N N 15 118.482 0.300 . 1 . . . . A 148 GLN N . 34766 1 1332 . 1 . 1 108 108 GLN NE2 N 15 112.471 0.300 . 1 . . . . A 148 GLN NE2 . 34766 1 1333 . 1 . 1 109 109 ALA H H 1 8.192 0.020 . 1 . . . . A 149 ALA H . 34766 1 1334 . 1 . 1 109 109 ALA HA H 1 4.249 0.020 . 1 . . . . A 149 ALA HA . 34766 1 1335 . 1 . 1 109 109 ALA HB1 H 1 1.445 0.020 . 1 . . . . A 149 ALA HB1 . 34766 1 1336 . 1 . 1 109 109 ALA HB2 H 1 1.445 0.020 . 1 . . . . A 149 ALA HB2 . 34766 1 1337 . 1 . 1 109 109 ALA HB3 H 1 1.445 0.020 . 1 . . . . A 149 ALA HB3 . 34766 1 1338 . 1 . 1 109 109 ALA C C 13 178.515 0.300 . 1 . . . . A 149 ALA C . 34766 1 1339 . 1 . 1 109 109 ALA CA C 13 53.572 0.300 . 1 . . . . A 149 ALA CA . 34766 1 1340 . 1 . 1 109 109 ALA CB C 13 18.787 0.300 . 1 . . . . A 149 ALA CB . 34766 1 1341 . 1 . 1 109 109 ALA N N 15 123.841 0.300 . 1 . . . . A 149 ALA N . 34766 1 1342 . 1 . 1 110 110 ALA H H 1 8.055 0.020 . 1 . . . . A 150 ALA H . 34766 1 1343 . 1 . 1 110 110 ALA HA H 1 4.267 0.020 . 1 . . . . A 150 ALA HA . 34766 1 1344 . 1 . 1 110 110 ALA HB1 H 1 1.417 0.020 . 1 . . . . A 150 ALA HB1 . 34766 1 1345 . 1 . 1 110 110 ALA HB2 H 1 1.417 0.020 . 1 . . . . A 150 ALA HB2 . 34766 1 1346 . 1 . 1 110 110 ALA HB3 H 1 1.417 0.020 . 1 . . . . A 150 ALA HB3 . 34766 1 1347 . 1 . 1 110 110 ALA C C 13 178.528 0.300 . 1 . . . . A 150 ALA C . 34766 1 1348 . 1 . 1 110 110 ALA CA C 13 53.327 0.300 . 1 . . . . A 150 ALA CA . 34766 1 1349 . 1 . 1 110 110 ALA CB C 13 18.900 0.300 . 1 . . . . A 150 ALA CB . 34766 1 1350 . 1 . 1 110 110 ALA N N 15 122.330 0.300 . 1 . . . . A 150 ALA N . 34766 1 1351 . 1 . 1 111 111 LEU H H 1 8.058 0.020 . 1 . . . . A 151 LEU H . 34766 1 1352 . 1 . 1 111 111 LEU HA H 1 4.233 0.020 . 1 . . . . A 151 LEU HA . 34766 1 1353 . 1 . 1 111 111 LEU HB2 H 1 1.596 0.020 . 2 . . . . A 151 LEU HB2 . 34766 1 1354 . 1 . 1 111 111 LEU HB3 H 1 1.737 0.020 . 2 . . . . A 151 LEU HB3 . 34766 1 1355 . 1 . 1 111 111 LEU HG H 1 1.680 0.020 . 1 . . . . A 151 LEU HG . 34766 1 1356 . 1 . 1 111 111 LEU HD11 H 1 0.916 0.020 . 2 . . . . A 151 LEU HD11 . 34766 1 1357 . 1 . 1 111 111 LEU HD12 H 1 0.916 0.020 . 2 . . . . A 151 LEU HD12 . 34766 1 1358 . 1 . 1 111 111 LEU HD13 H 1 0.916 0.020 . 2 . . . . A 151 LEU HD13 . 34766 1 1359 . 1 . 1 111 111 LEU HD21 H 1 0.836 0.020 . 2 . . . . A 151 LEU HD21 . 34766 1 1360 . 1 . 1 111 111 LEU HD22 H 1 0.836 0.020 . 2 . . . . A 151 LEU HD22 . 34766 1 1361 . 1 . 1 111 111 LEU HD23 H 1 0.836 0.020 . 2 . . . . A 151 LEU HD23 . 34766 1 1362 . 1 . 1 111 111 LEU C C 13 177.973 0.300 . 1 . . . . A 151 LEU C . 34766 1 1363 . 1 . 1 111 111 LEU CA C 13 56.059 0.300 . 1 . . . . A 151 LEU CA . 34766 1 1364 . 1 . 1 111 111 LEU CB C 13 42.190 0.300 . 1 . . . . A 151 LEU CB . 34766 1 1365 . 1 . 1 111 111 LEU CG C 13 26.938 0.300 . 1 . . . . A 151 LEU CG . 34766 1 1366 . 1 . 1 111 111 LEU CD1 C 13 25.165 0.300 . 2 . . . . A 151 LEU CD1 . 34766 1 1367 . 1 . 1 111 111 LEU CD2 C 13 23.649 0.300 . 2 . . . . A 151 LEU CD2 . 34766 1 1368 . 1 . 1 111 111 LEU N N 15 120.287 0.300 . 1 . . . . A 151 LEU N . 34766 1 1369 . 1 . 1 112 112 GLN H H 1 8.169 0.020 . 1 . . . . A 152 GLN H . 34766 1 1370 . 1 . 1 112 112 GLN HA H 1 4.262 0.020 . 1 . . . . A 152 GLN HA . 34766 1 1371 . 1 . 1 112 112 GLN HB2 H 1 2.052 0.020 . 2 . . . . A 152 GLN HB2 . 34766 1 1372 . 1 . 1 112 112 GLN HB3 H 1 2.133 0.020 . 2 . . . . A 152 GLN HB3 . 34766 1 1373 . 1 . 1 112 112 GLN HG2 H 1 2.420 0.020 . 2 . . . . A 152 GLN HG2 . 34766 1 1374 . 1 . 1 112 112 GLN HG3 H 1 2.420 0.020 . 2 . . . . A 152 GLN HG3 . 34766 1 1375 . 1 . 1 112 112 GLN C C 13 176.307 0.300 . 1 . . . . A 152 GLN C . 34766 1 1376 . 1 . 1 112 112 GLN CA C 13 56.414 0.300 . 1 . . . . A 152 GLN CA . 34766 1 1377 . 1 . 1 112 112 GLN CB C 13 29.204 0.300 . 1 . . . . A 152 GLN CB . 34766 1 1378 . 1 . 1 112 112 GLN CG C 13 33.887 0.300 . 1 . . . . A 152 GLN CG . 34766 1 1379 . 1 . 1 112 112 GLN N N 15 119.805 0.300 . 1 . . . . A 152 GLN N . 34766 1 1380 . 1 . 1 113 113 ALA H H 1 8.100 0.020 . 1 . . . . A 153 ALA H . 34766 1 1381 . 1 . 1 113 113 ALA HA H 1 4.316 0.020 . 1 . . . . A 153 ALA HA . 34766 1 1382 . 1 . 1 113 113 ALA HB1 H 1 1.440 0.020 . 1 . . . . A 153 ALA HB1 . 34766 1 1383 . 1 . 1 113 113 ALA HB2 H 1 1.440 0.020 . 1 . . . . A 153 ALA HB2 . 34766 1 1384 . 1 . 1 113 113 ALA HB3 H 1 1.440 0.020 . 1 . . . . A 153 ALA HB3 . 34766 1 1385 . 1 . 1 113 113 ALA C C 13 178.231 0.300 . 1 . . . . A 153 ALA C . 34766 1 1386 . 1 . 1 113 113 ALA CA C 13 53.056 0.300 . 1 . . . . A 153 ALA CA . 34766 1 1387 . 1 . 1 113 113 ALA CB C 13 18.979 0.300 . 1 . . . . A 153 ALA CB . 34766 1 1388 . 1 . 1 113 113 ALA N N 15 124.012 0.300 . 1 . . . . A 153 ALA N . 34766 1 1389 . 1 . 1 114 114 VAL H H 1 7.909 0.020 . 1 . . . . A 154 VAL H . 34766 1 1390 . 1 . 1 114 114 VAL HA H 1 4.105 0.020 . 1 . . . . A 154 VAL HA . 34766 1 1391 . 1 . 1 114 114 VAL HB H 1 2.139 0.020 . 1 . . . . A 154 VAL HB . 34766 1 1392 . 1 . 1 114 114 VAL HG11 H 1 0.964 0.020 . 2 . . . . A 154 VAL HG11 . 34766 1 1393 . 1 . 1 114 114 VAL HG12 H 1 0.964 0.020 . 2 . . . . A 154 VAL HG12 . 34766 1 1394 . 1 . 1 114 114 VAL HG13 H 1 0.964 0.020 . 2 . . . . A 154 VAL HG13 . 34766 1 1395 . 1 . 1 114 114 VAL HG21 H 1 0.999 0.020 . 2 . . . . A 154 VAL HG21 . 34766 1 1396 . 1 . 1 114 114 VAL HG22 H 1 0.999 0.020 . 2 . . . . A 154 VAL HG22 . 34766 1 1397 . 1 . 1 114 114 VAL HG23 H 1 0.999 0.020 . 2 . . . . A 154 VAL HG23 . 34766 1 1398 . 1 . 1 114 114 VAL C C 13 176.228 0.300 . 1 . . . . A 154 VAL C . 34766 1 1399 . 1 . 1 114 114 VAL CA C 13 62.793 0.300 . 1 . . . . A 154 VAL CA . 34766 1 1400 . 1 . 1 114 114 VAL CB C 13 32.593 0.300 . 1 . . . . A 154 VAL CB . 34766 1 1401 . 1 . 1 114 114 VAL CG1 C 13 21.258 0.300 . 2 . . . . A 154 VAL CG1 . 34766 1 1402 . 1 . 1 114 114 VAL CG2 C 13 20.731 0.300 . 2 . . . . A 154 VAL CG2 . 34766 1 1403 . 1 . 1 114 114 VAL N N 15 117.653 0.300 . 1 . . . . A 154 VAL N . 34766 1 1404 . 1 . 1 115 115 ASN H H 1 8.352 0.020 . 1 . . . . A 155 ASN H . 34766 1 1405 . 1 . 1 115 115 ASN HA H 1 4.779 0.020 . 1 . . . . A 155 ASN HA . 34766 1 1406 . 1 . 1 115 115 ASN HB2 H 1 2.803 0.020 . 2 . . . . A 155 ASN HB2 . 34766 1 1407 . 1 . 1 115 115 ASN HB3 H 1 2.872 0.020 . 2 . . . . A 155 ASN HB3 . 34766 1 1408 . 1 . 1 115 115 ASN HD21 H 1 7.588 0.020 . 2 . . . . A 155 ASN HD21 . 34766 1 1409 . 1 . 1 115 115 ASN HD22 H 1 6.962 0.020 . 2 . . . . A 155 ASN HD22 . 34766 1 1410 . 1 . 1 115 115 ASN C C 13 175.366 0.300 . 1 . . . . A 155 ASN C . 34766 1 1411 . 1 . 1 115 115 ASN CA C 13 53.545 0.300 . 1 . . . . A 155 ASN CA . 34766 1 1412 . 1 . 1 115 115 ASN CB C 13 38.992 0.300 . 1 . . . . A 155 ASN CB . 34766 1 1413 . 1 . 1 115 115 ASN N N 15 121.204 0.300 . 1 . . . . A 155 ASN N . 34766 1 1414 . 1 . 1 115 115 ASN ND2 N 15 112.663 0.300 . 1 . . . . A 155 ASN ND2 . 34766 1 1415 . 1 . 1 116 116 SER H H 1 8.200 0.020 . 1 . . . . A 156 SER H . 34766 1 1416 . 1 . 1 116 116 SER HA H 1 4.480 0.020 . 1 . . . . A 156 SER HA . 34766 1 1417 . 1 . 1 116 116 SER HB2 H 1 3.893 0.020 . 2 . . . . A 156 SER HB2 . 34766 1 1418 . 1 . 1 116 116 SER HB3 H 1 3.917 0.020 . 2 . . . . A 156 SER HB3 . 34766 1 1419 . 1 . 1 116 116 SER C C 13 174.622 0.300 . 1 . . . . A 156 SER C . 34766 1 1420 . 1 . 1 116 116 SER CA C 13 58.628 0.300 . 1 . . . . A 156 SER CA . 34766 1 1421 . 1 . 1 116 116 SER CB C 13 63.921 0.300 . 1 . . . . A 156 SER CB . 34766 1 1422 . 1 . 1 116 116 SER N N 15 116.305 0.300 . 1 . . . . A 156 SER N . 34766 1 1423 . 1 . 1 117 117 VAL H H 1 8.106 0.020 . 1 . . . . A 157 VAL H . 34766 1 1424 . 1 . 1 117 117 VAL HA H 1 4.137 0.020 . 1 . . . . A 157 VAL HA . 34766 1 1425 . 1 . 1 117 117 VAL HB H 1 2.116 0.020 . 1 . . . . A 157 VAL HB . 34766 1 1426 . 1 . 1 117 117 VAL HG11 H 1 0.944 0.020 . 2 . . . . A 157 VAL HG11 . 34766 1 1427 . 1 . 1 117 117 VAL HG12 H 1 0.944 0.020 . 2 . . . . A 157 VAL HG12 . 34766 1 1428 . 1 . 1 117 117 VAL HG13 H 1 0.944 0.020 . 2 . . . . A 157 VAL HG13 . 34766 1 1429 . 1 . 1 117 117 VAL HG21 H 1 0.963 0.020 . 2 . . . . A 157 VAL HG21 . 34766 1 1430 . 1 . 1 117 117 VAL HG22 H 1 0.963 0.020 . 2 . . . . A 157 VAL HG22 . 34766 1 1431 . 1 . 1 117 117 VAL HG23 H 1 0.963 0.020 . 2 . . . . A 157 VAL HG23 . 34766 1 1432 . 1 . 1 117 117 VAL C C 13 176.367 0.300 . 1 . . . . A 157 VAL C . 34766 1 1433 . 1 . 1 117 117 VAL CA C 13 62.674 0.300 . 1 . . . . A 157 VAL CA . 34766 1 1434 . 1 . 1 117 117 VAL CB C 13 32.634 0.300 . 1 . . . . A 157 VAL CB . 34766 1 1435 . 1 . 1 117 117 VAL CG1 C 13 21.176 0.300 . 2 . . . . A 157 VAL CG1 . 34766 1 1436 . 1 . 1 117 117 VAL CG2 C 13 20.708 0.300 . 2 . . . . A 157 VAL CG2 . 34766 1 1437 . 1 . 1 117 117 VAL N N 15 121.636 0.300 . 1 . . . . A 157 VAL N . 34766 1 1438 . 1 . 1 118 118 GLN H H 1 8.448 0.020 . 1 . . . . A 158 GLN H . 34766 1 1439 . 1 . 1 118 118 GLN HA H 1 4.396 0.020 . 1 . . . . A 158 GLN HA . 34766 1 1440 . 1 . 1 118 118 GLN HB2 H 1 2.014 0.020 . 2 . . . . A 158 GLN HB2 . 34766 1 1441 . 1 . 1 118 118 GLN HB3 H 1 2.146 0.020 . 2 . . . . A 158 GLN HB3 . 34766 1 1442 . 1 . 1 118 118 GLN HG2 H 1 2.395 0.020 . 2 . . . . A 158 GLN HG2 . 34766 1 1443 . 1 . 1 118 118 GLN HG3 H 1 2.395 0.020 . 2 . . . . A 158 GLN HG3 . 34766 1 1444 . 1 . 1 118 118 GLN C C 13 176.050 0.300 . 1 . . . . A 158 GLN C . 34766 1 1445 . 1 . 1 118 118 GLN CA C 13 55.883 0.300 . 1 . . . . A 158 GLN CA . 34766 1 1446 . 1 . 1 118 118 GLN CB C 13 29.438 0.300 . 1 . . . . A 158 GLN CB . 34766 1 1447 . 1 . 1 118 118 GLN CG C 13 33.842 0.300 . 1 . . . . A 158 GLN CG . 34766 1 1448 . 1 . 1 118 118 GLN N N 15 123.887 0.300 . 1 . . . . A 158 GLN N . 34766 1 1449 . 1 . 1 119 119 SER H H 1 8.352 0.020 . 1 . . . . A 159 SER H . 34766 1 1450 . 1 . 1 119 119 SER HA H 1 4.451 0.020 . 1 . . . . A 159 SER HA . 34766 1 1451 . 1 . 1 119 119 SER HB2 H 1 3.888 0.020 . 2 . . . . A 159 SER HB2 . 34766 1 1452 . 1 . 1 119 119 SER HB3 H 1 3.888 0.020 . 2 . . . . A 159 SER HB3 . 34766 1 1453 . 1 . 1 119 119 SER C C 13 174.989 0.300 . 1 . . . . A 159 SER C . 34766 1 1454 . 1 . 1 119 119 SER CA C 13 58.604 0.300 . 1 . . . . A 159 SER CA . 34766 1 1455 . 1 . 1 119 119 SER CB C 13 63.390 0.300 . 1 . . . . A 159 SER CB . 34766 1 1456 . 1 . 1 119 119 SER N N 15 117.199 0.300 . 1 . . . . A 159 SER N . 34766 1 1457 . 1 . 1 120 120 GLY H H 1 8.429 0.020 . 1 . . . . A 160 GLY H . 34766 1 1458 . 1 . 1 120 120 GLY HA2 H 1 3.988 0.020 . 2 . . . . A 160 GLY HA2 . 34766 1 1459 . 1 . 1 120 120 GLY HA3 H 1 3.988 0.020 . 2 . . . . A 160 GLY HA3 . 34766 1 1460 . 1 . 1 120 120 GLY C C 13 173.799 0.300 . 1 . . . . A 160 GLY C . 34766 1 1461 . 1 . 1 120 120 GLY CA C 13 45.425 0.300 . 1 . . . . A 160 GLY CA . 34766 1 1462 . 1 . 1 120 120 GLY N N 15 110.655 0.300 . 1 . . . . A 160 GLY N . 34766 1 1463 . 1 . 1 121 121 ASN H H 1 8.306 0.020 . 1 . . . . A 161 ASN H . 34766 1 1464 . 1 . 1 121 121 ASN HA H 1 4.729 0.020 . 1 . . . . A 161 ASN HA . 34766 1 1465 . 1 . 1 121 121 ASN HB2 H 1 2.839 0.020 . 2 . . . . A 161 ASN HB2 . 34766 1 1466 . 1 . 1 121 121 ASN HB3 H 1 2.742 0.020 . 2 . . . . A 161 ASN HB3 . 34766 1 1467 . 1 . 1 121 121 ASN C C 13 175.029 0.300 . 1 . . . . A 161 ASN C . 34766 1 1468 . 1 . 1 121 121 ASN CA C 13 53.353 0.300 . 1 . . . . A 161 ASN CA . 34766 1 1469 . 1 . 1 121 121 ASN CB C 13 38.976 0.300 . 1 . . . . A 161 ASN CB . 34766 1 1470 . 1 . 1 121 121 ASN N N 15 118.622 0.300 . 1 . . . . A 161 ASN N . 34766 1 1471 . 1 . 1 122 122 LEU H H 1 8.254 0.020 . 1 . . . . A 162 LEU H . 34766 1 1472 . 1 . 1 122 122 LEU HA H 1 4.359 0.020 . 1 . . . . A 162 LEU HA . 34766 1 1473 . 1 . 1 122 122 LEU HB2 H 1 1.634 0.020 . 2 . . . . A 162 LEU HB2 . 34766 1 1474 . 1 . 1 122 122 LEU HB3 H 1 1.634 0.020 . 2 . . . . A 162 LEU HB3 . 34766 1 1475 . 1 . 1 122 122 LEU HG H 1 1.632 0.020 . 1 . . . . A 162 LEU HG . 34766 1 1476 . 1 . 1 122 122 LEU HD11 H 1 0.922 0.020 . 2 . . . . A 162 LEU HD11 . 34766 1 1477 . 1 . 1 122 122 LEU HD12 H 1 0.922 0.020 . 2 . . . . A 162 LEU HD12 . 34766 1 1478 . 1 . 1 122 122 LEU HD13 H 1 0.922 0.020 . 2 . . . . A 162 LEU HD13 . 34766 1 1479 . 1 . 1 122 122 LEU HD21 H 1 0.862 0.020 . 2 . . . . A 162 LEU HD21 . 34766 1 1480 . 1 . 1 122 122 LEU HD22 H 1 0.862 0.020 . 2 . . . . A 162 LEU HD22 . 34766 1 1481 . 1 . 1 122 122 LEU HD23 H 1 0.862 0.020 . 2 . . . . A 162 LEU HD23 . 34766 1 1482 . 1 . 1 122 122 LEU C C 13 176.040 0.300 . 1 . . . . A 162 LEU C . 34766 1 1483 . 1 . 1 122 122 LEU CA C 13 55.207 0.300 . 1 . . . . A 162 LEU CA . 34766 1 1484 . 1 . 1 122 122 LEU CB C 13 42.394 0.300 . 1 . . . . A 162 LEU CB . 34766 1 1485 . 1 . 1 122 122 LEU CG C 13 26.945 0.300 . 1 . . . . A 162 LEU CG . 34766 1 1486 . 1 . 1 122 122 LEU CD1 C 13 25.160 0.300 . 2 . . . . A 162 LEU CD1 . 34766 1 1487 . 1 . 1 122 122 LEU CD2 C 13 23.360 0.300 . 2 . . . . A 162 LEU CD2 . 34766 1 1488 . 1 . 1 122 122 LEU N N 15 122.979 0.300 . 1 . . . . A 162 LEU N . 34766 1 1489 . 1 . 1 123 123 ALA H H 1 7.837 0.020 . 1 . . . . A 163 ALA H . 34766 1 1490 . 1 . 1 123 123 ALA HA H 1 4.121 0.020 . 1 . . . . A 163 ALA HA . 34766 1 1491 . 1 . 1 123 123 ALA HB1 H 1 1.332 0.020 . 1 . . . . A 163 ALA HB1 . 34766 1 1492 . 1 . 1 123 123 ALA HB2 H 1 1.332 0.020 . 1 . . . . A 163 ALA HB2 . 34766 1 1493 . 1 . 1 123 123 ALA HB3 H 1 1.332 0.020 . 1 . . . . A 163 ALA HB3 . 34766 1 1494 . 1 . 1 123 123 ALA C C 13 182.391 0.300 . 1 . . . . A 163 ALA C . 34766 1 1495 . 1 . 1 123 123 ALA CA C 13 53.761 0.300 . 1 . . . . A 163 ALA CA . 34766 1 1496 . 1 . 1 123 123 ALA CB C 13 20.339 0.300 . 1 . . . . A 163 ALA CB . 34766 1 1497 . 1 . 1 123 123 ALA N N 15 130.169 0.300 . 1 . . . . A 163 ALA N . 34766 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 34766 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details ; Combined automated NOE assignment and structure calculation with CYANA. J Biomol NMR (2015) 62, 453-471 DOI 10.1007/s10858-015-9924-9 ; _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #FORMAT xeasy3D #INAME 1 HC #INAME 2 H #INAME 3 C #SPECTRUM C13NOESY HC H C 1 1.309 9.530 82.816 0 U 7.366000E+02 0.000000E+00 e 0 0 0 0 2 1.590 9.533 64.107 0 U 1.020000E+03 0.000000E+00 e 0 0 0 0 3 0.803 9.530 61.792 0 U 1.549000E+03 0.000000E+00 e 0 0 0 0 4 0.894 9.532 60.758 0 U 2.355000E+03 0.000000E+00 e 0 0 0 0 5 0.618 9.530 57.152 0 U 9.577000E+02 0.000000E+00 e 0 0 0 0 6 3.915 9.532 56.793 0 U -8.816000E+03 0.000000E+00 e 0 0 0 0 7 4.588 9.532 54.148 0 U -9.589000E+03 0.000000E+00 e 0 0 0 0 8 1.686 9.497 78.337 0 U 9.392000E+02 0.000000E+00 e 0 0 0 0 9 1.847 9.498 76.297 0 U 6.629000E+03 0.000000E+00 e 0 0 0 0 10 2.087 9.499 68.220 0 U 6.894000E+02 0.000000E+00 e 0 0 0 0 11 1.502 9.500 63.963 0 U 2.575000E+03 0.000000E+00 e 0 0 0 0 12 1.076 9.496 63.921 0 U 1.730000E+03 0.000000E+00 e 0 0 0 0 13 1.598 9.499 63.298 3 U 1.185000E+03 0.000000E+00 e 0 0 0 0 14 2.090 9.500 61.940 3 U -4.462000E+02 0.000000E+00 e 0 0 0 0 15 0.936 9.497 58.823 0 U 8.806000E+03 0.000000E+00 e 0 0 0 0 16 0.736 9.499 57.849 0 U 2.424000E+03 0.000000E+00 e 0 0 0 0 17 1.774 9.496 55.196 0 U 4.990000E+02 0.000000E+00 e 0 0 0 0 18 0.910 9.496 54.580 0 U 2.384000E+03 0.000000E+00 e 0 0 0 0 19 0.788 9.496 50.183 0 U 3.653000E+03 0.000000E+00 e 0 0 0 0 20 0.728 9.488 55.105 0 U 3.363000E+03 0.000000E+00 e 0 0 0 0 21 0.642 9.490 50.549 0 U 4.905000E+02 0.000000E+00 e 0 0 0 0 22 0.833 9.492 50.398 0 U 8.512000E+02 0.000000E+00 e 0 0 0 0 23 4.413 9.477 59.488 0 U -2.635000E+03 0.000000E+00 e 0 0 0 0 24 2.374 9.443 73.630 0 U 1.904000E+03 0.000000E+00 e 0 0 0 0 25 4.615 9.442 72.409 0 U -8.214000E+03 0.000000E+00 e 0 0 0 0 26 2.066 9.441 65.247 0 U 2.616000E+03 0.000000E+00 e 0 0 0 0 27 1.843 9.441 65.243 0 U 1.684000E+03 0.000000E+00 e 0 0 0 0 28 3.910 9.442 61.011 0 U -3.817000E+03 0.000000E+00 e 0 0 0 0 29 4.697 9.442 60.061 0 U -9.487000E+03 0.000000E+00 e 0 0 0 0 30 1.286 9.442 57.877 0 U 3.693000E+03 0.000000E+00 e 0 0 0 0 31 1.844 9.394 76.297 0 U 1.108000E+03 0.000000E+00 e 0 0 0 0 32 3.179 9.392 71.375 0 U 3.045000E+03 0.000000E+00 e 0 0 0 0 33 2.669 9.395 71.372 0 U 2.555000E+03 0.000000E+00 e 0 0 0 0 34 2.403 9.390 69.472 0 U 4.727000E+02 0.000000E+00 e 0 0 0 0 35 3.990 9.392 64.737 0 U -9.284000E+02 0.000000E+00 e 0 0 0 0 36 3.882 9.391 64.740 0 U -7.587000E+02 0.000000E+00 e 0 0 0 0 37 1.500 9.395 63.956 0 U 6.844000E+02 0.000000E+00 e 0 0 0 0 38 4.413 9.393 59.506 0 U -1.226000E+04 0.000000E+00 e 0 0 0 0 39 0.085 9.390 59.530 0 U 5.303000E+02 0.000000E+00 e 0 0 0 0 40 4.413 9.393 59.506 0 U -1.226000E+04 0.000000E+00 e 0 0 0 0 41 0.935 9.392 58.788 0 U 1.194000E+03 0.000000E+00 e 0 0 0 0 42 0.727 9.392 55.105 0 U 9.601000E+03 0.000000E+00 e 0 0 0 0 43 0.619 9.391 53.835 3 U 1.231000E+03 0.000000E+00 e 0 0 0 0 44 0.645 9.392 50.591 0 U 6.814000E+02 0.000000E+00 e 0 0 0 0 45 0.787 9.392 50.176 0 U 2.003000E+03 0.000000E+00 e 0 0 0 0 46 2.233 9.356 73.324 0 U 6.339000E+03 0.000000E+00 e 0 0 0 0 47 2.063 9.355 65.356 0 U 3.994000E+03 0.000000E+00 e 0 0 0 0 48 1.965 9.358 65.377 0 U 3.283000E+03 0.000000E+00 e 0 0 0 0 49 1.303 9.356 64.318 0 U 5.409000E+02 0.000000E+00 e 0 0 0 0 50 3.984 9.358 59.787 0 U -2.996000E+03 0.000000E+00 e 0 0 0 0 51 1.301 9.357 57.877 0 U 4.256000E+03 0.000000E+00 e 0 0 0 0 52 1.773 9.352 55.200 0 U 6.021000E+02 0.000000E+00 e 0 0 0 0 53 4.622 9.339 72.367 3 U -2.278000E+03 0.000000E+00 e 0 0 0 0 54 1.894 9.339 53.043 3 U 1.316000E+03 0.000000E+00 e 0 0 0 0 55 2.397 9.329 73.482 3 U 6.653000E+02 0.000000E+00 e 0 0 0 0 56 3.903 9.332 60.786 3 U -1.160000E+03 0.000000E+00 e 0 0 0 0 57 1.548 9.248 75.460 0 U 4.756000E+03 0.000000E+00 e 0 0 0 0 58 2.089 9.252 69.152 0 U 5.480000E+03 0.000000E+00 e 0 0 0 0 59 2.688 9.253 68.318 0 U 2.387000E+03 0.000000E+00 e 0 0 0 0 60 2.473 9.253 68.290 0 U 3.234000E+03 0.000000E+00 e 0 0 0 0 61 0.714 9.249 60.702 3 U 3.922000E+02 0.000000E+00 e 0 0 0 0 62 0.714 9.249 60.702 3 U 3.922000E+02 0.000000E+00 e 0 0 0 0 63 0.930 9.248 60.304 0 U 1.463000E+03 0.000000E+00 e 0 0 0 0 64 0.965 9.253 59.689 3 U 1.229000E+04 0.000000E+00 e 0 0 0 0 65 1.871 9.242 81.658 2 U 2.227000E+03 0.000000E+00 e 0 0 0 0 66 2.668 9.240 71.365 0 U 7.105000E+02 0.000000E+00 e 0 0 0 0 67 0.875 9.245 63.900 0 U 1.756000E+03 0.000000E+00 e 0 0 0 0 68 1.448 9.243 63.850 0 U 4.659000E+03 0.000000E+00 e 0 0 0 0 69 0.553 9.241 62.309 2 U 1.326000E+03 0.000000E+00 e 0 0 0 0 70 0.928 9.244 61.803 3 U 2.301000E+03 0.000000E+00 e 0 0 0 0 71 0.823 9.243 61.690 0 U 3.134000E+03 0.000000E+00 e 0 0 0 0 72 0.881 9.243 61.134 2 U 4.835000E+03 0.000000E+00 e 0 0 0 0 73 1.334 9.242 60.515 2 U 1.763000E+04 0.000000E+00 e 0 0 0 0 74 0.879 9.241 60.033 0 U 5.957000E+02 0.000000E+00 e 0 0 0 0 75 0.735 9.239 58.967 2 U 1.378000E+03 0.000000E+00 e 0 0 0 0 76 0.759 9.242 55.608 0 U 2.648000E+03 0.000000E+00 e 0 0 0 0 77 0.620 9.238 53.866 0 U 5.267000E+02 0.000000E+00 e 0 0 0 0 78 0.645 9.241 50.559 0 U 5.006000E+03 0.000000E+00 e 0 0 0 0 79 2.774 9.230 78.668 0 U 3.210000E+03 0.000000E+00 e 0 0 0 0 80 4.222 9.231 68.487 0 U -3.060000E+03 0.000000E+00 e 0 0 0 0 81 2.044 9.228 68.195 0 U 6.874000E+02 0.000000E+00 e 0 0 0 0 82 4.281 9.229 62.911 0 U -6.057000E+03 0.000000E+00 e 0 0 0 0 83 4.645 9.231 61.951 0 U -1.843000E+04 0.000000E+00 e 0 0 0 0 84 1.063 9.228 58.616 0 U 1.064000E+04 0.000000E+00 e 0 0 0 0 85 1.018 9.229 57.968 0 U 7.602000E+03 0.000000E+00 e 0 0 0 0 86 1.137 9.231 57.208 0 U 3.994000E+03 0.000000E+00 e 0 0 0 0 87 4.350 9.231 56.579 0 U -1.190000E+03 0.000000E+00 e 0 0 0 0 88 0.629 9.218 60.934 0 U 1.571000E+03 0.000000E+00 e 0 0 0 0 89 0.553 9.219 59.886 3 U 1.519000E+03 0.000000E+00 e 0 0 0 0 90 0.727 9.220 55.098 0 U 2.142000E+03 0.000000E+00 e 0 0 0 0 91 1.965 9.220 54.229 0 U 5.431000E+02 0.000000E+00 e 0 0 0 0 92 0.995 9.224 53.560 0 U 4.224000E+02 0.000000E+00 e 0 0 0 0 93 1.685 9.205 78.330 0 U 3.693000E+03 0.000000E+00 e 0 0 0 0 94 1.848 9.205 76.307 0 U 1.648000E+03 0.000000E+00 e 0 0 0 0 95 0.962 9.208 63.305 0 U 2.364000E+03 0.000000E+00 e 0 0 0 0 96 1.596 9.207 63.273 0 U 2.293000E+03 0.000000E+00 e 0 0 0 0 97 0.962 9.207 63.305 0 U 2.364000E+03 0.000000E+00 e 0 0 0 0 98 0.936 9.208 58.830 0 U 3.835000E+03 0.000000E+00 e 0 0 0 0 99 0.736 9.210 57.806 0 U 4.954000E+02 0.000000E+00 e 0 0 0 0 100 0.910 9.212 54.570 2 U 6.725000E+03 0.000000E+00 e 0 0 0 0 101 0.831 9.210 50.398 0 U 2.154000E+03 0.000000E+00 e 0 0 0 0 102 0.788 9.206 50.183 0 U 8.743000E+02 0.000000E+00 e 0 0 0 0 103 2.979 9.155 73.630 0 U 2.905000E+03 0.000000E+00 e 0 0 0 0 104 2.823 9.155 73.623 0 U 2.716000E+03 0.000000E+00 e 0 0 0 0 105 1.669 9.155 70.183 0 U 7.175000E+02 0.000000E+00 e 0 0 0 0 106 1.519 9.152 70.154 0 U 7.608000E+02 0.000000E+00 e 0 0 0 0 107 2.211 9.155 68.258 0 U 1.013000E+03 0.000000E+00 e 0 0 0 0 108 1.062 9.157 58.623 0 U 6.243000E+03 0.000000E+00 e 0 0 0 0 109 1.302 9.154 57.877 0 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0.000000E+00 e 0 0 0 0 1754 2.051 4.031 67.850 0 U 5.986000E+03 0.000000E+00 e 0 0 0 0 1755 1.930 4.037 62.130 0 U 1.286000E+03 0.000000E+00 e 0 0 0 0 1756 1.108 4.032 59.231 0 U 1.809000E+04 0.000000E+00 e 0 0 0 0 1757 2.990 4.027 79.889 0 U 9.961000E+02 0.000000E+00 e 0 0 0 0 1758 1.851 4.024 76.209 0 U 6.723000E+02 0.000000E+00 e 0 0 0 0 1759 1.720 4.029 63.544 0 U 8.781000E+02 0.000000E+00 e 0 0 0 0 1760 0.878 4.021 60.037 0 U 1.414000E+03 0.000000E+00 e 0 0 0 0 1761 0.775 4.028 56.779 0 U 7.215000E+03 0.000000E+00 e 0 0 0 0 1762 2.141 4.013 68.434 0 U 1.489000E+03 0.000000E+00 e 0 0 0 0 1763 0.803 4.013 61.792 0 U 2.094000E+03 0.000000E+00 e 0 0 0 0 1764 1.963 4.010 54.211 0 U 1.312000E+03 0.000000E+00 e 0 0 0 0 1765 1.888 4.017 53.025 0 U 1.702000E+03 0.000000E+00 e 0 0 0 0 1766 2.370 4.005 68.818 0 U 2.404000E+03 0.000000E+00 e 0 0 0 0 1767 2.600 4.005 68.775 0 U 1.533000E+03 0.000000E+00 e 0 0 0 0 1768 4.440 4.005 68.684 0 U -8.651000E+02 0.000000E+00 e 0 0 0 0 1769 1.413 4.003 68.473 0 U 8.703000E+02 0.000000E+00 e 0 0 0 0 1770 3.483 4.000 66.921 0 U -4.923000E+02 0.000000E+00 e 0 0 0 0 1771 1.500 4.006 63.998 0 U 8.361000E+02 0.000000E+00 e 0 0 0 0 1772 0.755 4.004 62.552 0 U 5.466000E+02 0.000000E+00 e 0 0 0 0 1773 4.548 4.001 61.124 0 U -7.362000E+03 0.000000E+00 e 0 0 0 0 1774 1.457 4.002 61.075 2 U 8.643000E+02 0.000000E+00 e 0 0 0 0 1775 0.894 4.005 60.779 0 U 3.283000E+03 0.000000E+00 e 0 0 0 0 1776 0.084 4.004 59.544 0 U 1.260000E+03 0.000000E+00 e 0 0 0 0 1777 2.171 4.008 59.119 3 U -8.430000E+02 0.000000E+00 e 0 0 0 0 1778 0.728 4.002 55.108 2 U 9.080000E+02 0.000000E+00 e 0 0 0 0 1779 0.787 4.007 50.179 0 U 1.470000E+04 0.000000E+00 e 0 0 0 0 1780 3.179 3.990 71.344 0 U 1.027000E+03 0.000000E+00 e 0 0 0 0 1781 2.086 3.993 68.213 0 U 1.489000E+03 0.000000E+00 e 0 0 0 0 1782 2.411 3.995 66.932 0 U 2.185000E+03 0.000000E+00 e 0 0 0 0 1783 1.931 3.994 66.932 0 U 3.597000E+03 0.000000E+00 e 0 0 0 0 1784 1.671 3.991 64.972 0 U 1.057000E+03 0.000000E+00 e 0 0 0 0 1785 0.935 3.989 58.820 0 U 5.898000E+03 0.000000E+00 e 0 0 0 0 1786 1.275 3.988 57.296 0 U 3.713000E+04 0.000000E+00 e 0 0 0 0 1787 0.845 3.991 56.945 0 U 2.768000E+03 0.000000E+00 e 0 0 0 0 1788 4.579 3.988 56.498 0 U -8.623000E+03 0.000000E+00 e 0 0 0 0 1789 1.773 3.997 55.186 0 U 2.439000E+04 0.000000E+00 e 0 0 0 0 1790 2.233 3.979 73.317 0 U 1.044000E+04 0.000000E+00 e 0 0 0 0 1791 2.668 3.985 71.358 0 U 1.563000E+03 0.000000E+00 e 0 0 0 0 1792 2.228 3.983 67.498 0 U 8.881000E+02 0.000000E+00 e 0 0 0 0 1793 2.065 3.979 65.370 2 U 4.312000E+03 0.000000E+00 e 0 0 0 0 1794 1.964 3.981 65.374 0 U 5.150000E+03 0.000000E+00 e 0 0 0 0 1795 3.721 3.981 64.821 0 U -3.518000E+04 0.000000E+00 e 0 0 0 0 1796 1.790 3.981 64.325 0 U 1.404000E+03 0.000000E+00 e 0 0 0 0 1797 1.307 3.979 64.329 0 U 1.983000E+03 0.000000E+00 e 0 0 0 0 1798 0.553 3.984 59.903 0 U 4.428000E+02 0.000000E+00 e 0 0 0 0 1799 0.736 3.985 57.859 0 U 1.364000E+03 0.000000E+00 e 0 0 0 0 1800 0.618 3.986 57.156 3 U 2.202000E+03 0.000000E+00 e 0 0 0 0 1801 4.377 3.984 56.997 0 U -3.993000E+03 0.000000E+00 e 0 0 0 0 1802 1.601 3.981 55.815 0 U 7.477000E+03 0.000000E+00 e 0 0 0 0 1803 4.466 3.981 54.960 0 U -8.915000E+02 0.000000E+00 e 0 0 0 0 1804 1.902 3.986 52.093 0 U 9.692000E+03 0.000000E+00 e 0 0 0 0 1805 1.746 3.959 68.758 0 U 8.552000E+02 0.000000E+00 e 0 0 0 0 1806 0.865 3.962 56.769 0 U 4.528000E+03 0.000000E+00 e 0 0 0 0 1807 4.397 3.961 52.593 0 U -1.766000E+03 0.000000E+00 e 0 0 0 0 1808 2.050 3.950 63.484 0 U 8.924000E+02 0.000000E+00 e 0 0 0 0 1809 0.966 3.950 59.685 3 U 1.521000E+03 0.000000E+00 e 0 0 0 0 1810 2.434 3.942 69.841 3 U 1.032000E+03 0.000000E+00 e 0 0 0 0 1811 2.203 3.929 65.166 3 U 6.995000E+02 0.000000E+00 e 0 0 0 0 1812 2.987 3.920 80.012 0 U 1.164000E+03 0.000000E+00 e 0 0 0 0 1813 2.936 3.918 74.070 0 U 3.545000E+03 0.000000E+00 e 0 0 0 0 1814 2.777 3.918 74.056 3 U 3.585000E+03 0.000000E+00 e 0 0 0 0 1815 4.443 3.920 68.596 0 U -4.942000E+03 0.000000E+00 e 0 0 0 0 1816 1.860 3.914 64.093 0 U 2.131000E+03 0.000000E+00 e 0 0 0 0 1817 1.593 3.915 64.121 0 U 3.110000E+03 0.000000E+00 e 0 0 0 0 1818 1.997 3.914 64.047 0 U 3.170000E+03 0.000000E+00 e 0 0 0 0 1819 1.477 3.915 58.433 0 U 2.201000E+04 0.000000E+00 e 0 0 0 0 1820 2.691 3.903 77.535 0 U 8.422000E+02 0.000000E+00 e 0 0 0 0 1821 2.731 3.903 77.479 0 U 9.364000E+02 0.000000E+00 e 0 0 0 0 1822 2.445 3.903 73.609 0 U 4.443000E+03 0.000000E+00 e 0 0 0 0 1823 2.378 3.903 73.609 0 U 4.591000E+03 0.000000E+00 e 0 0 0 0 1824 4.618 3.906 72.413 2 U -1.658000E+03 0.000000E+00 e 0 0 0 0 1825 2.473 3.906 68.290 0 U 4.997000E+02 0.000000E+00 e 0 0 0 0 1826 2.158 3.904 67.273 0 U 3.395000E+03 0.000000E+00 e 0 0 0 0 1827 1.915 3.904 66.855 3 U 5.594000E+02 0.000000E+00 e 0 0 0 0 1828 1.820 3.906 66.636 0 U 8.190000E+02 0.000000E+00 e 0 0 0 0 1829 1.935 3.903 65.324 3 U 1.185000E+03 0.000000E+00 e 0 0 0 0 1830 2.061 3.905 65.257 0 U 4.744000E+03 0.000000E+00 e 0 0 0 0 1831 1.843 3.907 65.243 0 U 3.966000E+03 0.000000E+00 e 0 0 0 0 1832 0.938 3.905 62.549 0 U 1.126000E+04 0.000000E+00 e 0 0 0 0 1833 0.803 3.907 61.799 3 U 9.847000E+02 0.000000E+00 e 0 0 0 0 1834 0.967 3.910 61.437 3 U 1.631000E+03 0.000000E+00 e 0 0 0 0 1835 0.882 3.906 61.099 0 U 3.154000E+03 0.000000E+00 e 0 0 0 0 1836 4.697 3.909 60.163 0 U -1.062000E+03 0.000000E+00 e 0 0 0 0 1837 0.879 3.907 60.072 0 U 6.380000E+03 0.000000E+00 e 0 0 0 0 1838 1.108 3.907 59.238 3 U 1.887000E+03 0.000000E+00 e 0 0 0 0 1839 0.736 3.906 58.960 0 U 2.091000E+03 0.000000E+00 e 0 0 0 0 1840 0.845 3.903 56.945 0 U 1.533000E+03 0.000000E+00 e 0 0 0 0 1841 4.586 3.909 54.141 0 U -1.931000E+03 0.000000E+00 e 0 0 0 0 1842 1.887 3.905 53.008 0 U 1.709000E+04 0.000000E+00 e 0 0 0 0 1843 0.841 3.906 49.835 0 U 3.311000E+03 0.000000E+00 e 0 0 0 0 1844 1.508 3.897 64.054 0 U 5.199000E+03 0.000000E+00 e 0 0 0 0 1845 0.551 3.893 62.302 0 U 5.566000E+02 0.000000E+00 e 0 0 0 0 1846 0.943 3.897 57.208 0 U 9.037000E+02 0.000000E+00 e 0 0 0 0 1847 0.774 3.895 56.786 0 U 2.310000E+03 0.000000E+00 e 0 0 0 0 1848 1.868 3.887 74.387 0 U 1.351000E+04 0.000000E+00 e 0 0 0 0 1849 1.295 3.889 64.023 0 U 3.665000E+03 0.000000E+00 e 0 0 0 0 1850 0.935 3.881 58.816 0 U 7.613000E+03 0.000000E+00 e 0 0 0 0 1851 0.736 3.880 57.863 0 U 1.276000E+03 0.000000E+00 e 0 0 0 0 1852 1.345 3.883 57.254 0 U 1.447000E+03 0.000000E+00 e 0 0 0 0 1853 0.618 3.886 57.156 0 U 3.379000E+03 0.000000E+00 e 0 0 0 0 1854 0.537 3.882 56.420 3 U 5.552000E+03 0.000000E+00 e 0 0 0 0 1855 0.968 3.888 53.476 0 U 2.018000E+04 0.000000E+00 e 0 0 0 0 1856 0.935 3.888 49.729 0 U 7.374000E+03 0.000000E+00 e 0 0 0 0 1857 3.181 3.875 71.333 0 U 5.758000E+02 0.000000E+00 e 0 0 0 0 1858 2.675 3.876 71.361 0 U 8.331000E+02 0.000000E+00 e 0 0 0 0 1859 2.371 3.877 69.324 0 U 1.517000E+03 0.000000E+00 e 0 0 0 0 1860 2.143 3.875 68.198 0 U 2.358000E+03 0.000000E+00 e 0 0 0 0 1861 2.087 3.877 68.209 0 U 3.202000E+03 0.000000E+00 e 0 0 0 0 1862 1.817 3.876 68.146 0 U 2.458000E+03 0.000000E+00 e 0 0 0 0 1863 2.200 3.874 66.731 0 U 1.736000E+03 0.000000E+00 e 0 0 0 0 1864 2.010 3.875 66.714 3 U 1.451000E+03 0.000000E+00 e 0 0 0 0 1865 2.162 3.877 63.678 0 U 7.124000E+03 0.000000E+00 e 0 0 0 0 1866 1.949 3.876 63.671 2 U 9.170000E+03 0.000000E+00 e 0 0 0 0 1867 0.736 3.880 57.863 0 U 1.276000E+03 0.000000E+00 e 0 0 0 0 1868 2.340 3.862 68.033 0 U 1.762000E+03 0.000000E+00 e 0 0 0 0 1869 1.952 3.860 68.037 0 U 1.638000E+03 0.000000E+00 e 0 0 0 0 1870 2.048 3.858 63.463 0 U 1.184000E+04 0.000000E+00 e 0 0 0 0 1871 4.543 3.854 59.685 0 U -1.827000E+04 0.000000E+00 e 0 0 0 0 1872 1.844 3.830 70.654 0 U 7.477000E+02 0.000000E+00 e 0 0 0 0 1873 1.357 3.832 65.402 3 U 5.139000E+02 0.000000E+00 e 0 0 0 0 1874 4.124 3.832 65.187 3 U -1.931000E+03 0.000000E+00 e 0 0 0 0 1875 1.641 3.826 65.166 0 U 2.068000E+03 0.000000E+00 e 0 0 0 0 1876 1.609 3.829 65.177 0 U 2.236000E+03 0.000000E+00 e 0 0 0 0 1877 3.329 3.824 72.867 0 U 1.134000E+03 0.000000E+00 e 0 0 0 0 1878 3.053 3.824 72.860 0 U 1.196000E+03 0.000000E+00 e 0 0 0 0 1879 2.167 3.823 65.388 2 U 6.339000E+03 0.000000E+00 e 0 0 0 0 1880 2.158 3.822 65.384 2 U 6.356000E+03 0.000000E+00 e 0 0 0 0 1881 1.354 3.825 61.669 0 U 6.854000E+03 0.000000E+00 e 0 0 0 0 1882 1.853 3.788 76.212 0 U 3.226000E+03 0.000000E+00 e 0 0 0 0 1883 1.561 3.789 76.216 0 U 2.250000E+03 0.000000E+00 e 0 0 0 0 1884 1.763 3.788 66.601 0 U 7.748000E+02 0.000000E+00 e 0 0 0 0 1885 -0.037 3.790 66.587 0 U 9.336000E+02 0.000000E+00 e 0 0 0 0 1886 1.719 3.789 64.125 0 U 2.917000E+03 0.000000E+00 e 0 0 0 0 1887 1.661 3.788 64.118 0 U 2.361000E+03 0.000000E+00 e 0 0 0 0 1888 0.975 3.789 58.468 0 U 1.155000E+03 0.000000E+00 e 0 0 0 0 1889 4.665 3.788 57.979 0 U -9.468000E+02 0.000000E+00 e 0 0 0 0 1890 4.585 3.790 56.294 3 U -1.371000E+03 0.000000E+00 e 0 0 0 0 1891 3.136 3.789 51.238 0 U -1.491000E+04 0.000000E+00 e 0 0 0 0 1892 1.950 3.775 68.026 0 U 3.319000E+03 0.000000E+00 e 0 0 0 0 1893 2.340 3.779 68.012 0 U 1.779000E+03 0.000000E+00 e 0 0 0 0 1894 2.049 3.781 63.484 0 U 1.138000E+04 0.000000E+00 e 0 0 0 0 1895 1.744 3.751 68.744 0 U 1.376000E+03 0.000000E+00 e 0 0 0 0 1896 1.870 3.752 67.425 0 U 1.824000E+03 0.000000E+00 e 0 0 0 0 1897 1.864 3.753 63.446 0 U 6.179000E+03 0.000000E+00 e 0 0 0 0 1898 1.782 3.754 63.435 0 U 5.399000E+03 0.000000E+00 e 0 0 0 0 1899 4.232 3.755 59.822 0 U -2.677000E+04 0.000000E+00 e 0 0 0 0 1900 0.865 3.753 56.769 0 U 3.704000E+03 0.000000E+00 e 0 0 0 0 1901 3.365 3.754 50.749 0 U -3.254000E+04 0.000000E+00 e 0 0 0 0 1902 1.878 3.748 74.408 0 U 3.463000E+03 0.000000E+00 e 0 0 0 0 1903 2.371 3.742 69.314 0 U 2.503000E+03 0.000000E+00 e 0 0 0 0 1904 2.142 3.749 68.184 0 U 2.043000E+03 0.000000E+00 e 0 0 0 0 1905 1.817 3.742 68.142 0 U 3.383000E+03 0.000000E+00 e 0 0 0 0 1906 1.731 3.750 67.428 0 U 1.457000E+03 0.000000E+00 e 0 0 0 0 1907 2.201 3.744 66.721 0 U 3.150000E+03 0.000000E+00 e 0 0 0 0 1908 2.013 3.746 66.714 0 U 2.624000E+03 0.000000E+00 e 0 0 0 0 1909 2.160 3.748 63.674 0 U 8.908000E+03 0.000000E+00 e 0 0 0 0 1910 0.618 3.748 57.163 0 U 1.642000E+03 0.000000E+00 e 0 0 0 0 1911 1.417 3.746 54.908 0 U 1.718000E+03 0.000000E+00 e 0 0 0 0 1912 0.994 3.748 53.553 3 U 2.720000E+03 0.000000E+00 e 0 0 0 0 1913 0.841 3.743 49.835 0 U 4.846000E+03 0.000000E+00 e 0 0 0 0 1914 2.233 3.736 73.328 0 U 5.203000E+02 0.000000E+00 e 0 0 0 0 1915 1.952 3.737 63.604 2 U 9.658000E+03 0.000000E+00 e 0 0 0 0 1916 0.765 3.738 56.723 0 U 7.829000E+03 0.000000E+00 e 0 0 0 0 1917 0.789 3.733 50.116 0 U 5.047000E+02 0.000000E+00 e 0 0 0 0 1918 3.989 3.722 64.821 0 U -3.922000E+04 0.000000E+00 e 0 0 0 0 1919 0.736 3.722 57.901 0 U 5.288000E+02 0.000000E+00 e 0 0 0 0 1920 4.578 3.720 56.498 0 U -5.455000E+03 0.000000E+00 e 0 0 0 0 1921 1.773 3.721 55.214 0 U 7.487000E+02 0.000000E+00 e 0 0 0 0 1922 1.315 3.715 82.794 0 U 9.918000E+02 0.000000E+00 e 0 0 0 0 1923 1.357 3.713 82.787 0 U 1.115000E+03 0.000000E+00 e 0 0 0 0 1924 1.315 3.715 82.794 0 U 9.918000E+02 0.000000E+00 e 0 0 0 0 1925 1.220 3.715 77.750 0 U 7.467000E+02 0.000000E+00 e 0 0 0 0 1926 2.368 3.714 67.924 0 U 1.429000E+03 0.000000E+00 e 0 0 0 0 1927 2.047 3.713 67.864 0 U 1.225000E+03 0.000000E+00 e 0 0 0 0 1928 1.716 3.715 63.548 0 U 4.585000E+03 0.000000E+00 e 0 0 0 0 1929 4.497 3.712 62.292 0 U -1.640000E+03 0.000000E+00 e 0 0 0 0 1930 0.553 3.717 62.309 0 U 1.009000E+03 0.000000E+00 e 0 0 0 0 1931 0.803 3.716 61.799 0 U 2.820000E+03 0.000000E+00 e 0 0 0 0 1932 0.894 3.716 60.786 3 U 2.764000E+03 0.000000E+00 e 0 0 0 0 1933 0.714 3.715 60.681 0 U 6.396000E+03 0.000000E+00 e 0 0 0 0 1934 1.108 3.715 59.228 0 U 2.523000E+03 0.000000E+00 e 0 0 0 0 1935 0.865 3.714 54.204 0 U 8.647000E+03 0.000000E+00 e 0 0 0 0 1936 4.115 3.714 53.423 0 U -1.062000E+04 0.000000E+00 e 0 0 0 0 1937 0.573 3.714 50.862 0 U 1.838000E+03 0.000000E+00 e 0 0 0 0 1938 3.218 3.714 49.902 0 U -1.881000E+04 0.000000E+00 e 0 0 0 0 1939 1.883 3.582 74.404 0 U 3.835000E+03 0.000000E+00 e 0 0 0 0 1940 1.818 3.581 66.633 0 U 3.226000E+03 0.000000E+00 e 0 0 0 0 1941 0.938 3.581 62.542 0 U 1.601000E+03 0.000000E+00 e 0 0 0 0 1942 0.962 3.584 61.384 0 U 7.135000E+02 0.000000E+00 e 0 0 0 0 1943 0.974 3.585 58.492 0 U 8.582000E+02 0.000000E+00 e 0 0 0 0 1944 0.910 3.581 54.587 0 U 4.273000E+03 0.000000E+00 e 0 0 0 0 1945 0.994 3.580 53.550 0 U 1.752000E+04 0.000000E+00 e 0 0 0 0 1946 0.645 3.581 50.521 0 U 6.462000E+02 0.000000E+00 e 0 0 0 0 1947 2.159 3.577 67.259 0 U 5.935000E+02 0.000000E+00 e 0 0 0 0 1948 1.012 3.577 66.636 0 U 3.078000E+03 0.000000E+00 e 0 0 0 0 1949 0.882 3.578 61.110 0 U 2.060000E+03 0.000000E+00 e 0 0 0 0 1950 1.798 3.575 60.674 3 U 6.392000E+02 0.000000E+00 e 0 0 0 0 1951 0.735 3.576 58.967 0 U 2.981000E+03 0.000000E+00 e 0 0 0 0 1952 1.018 3.575 57.958 0 U 4.204000E+03 0.000000E+00 e 0 0 0 0 1953 1.137 3.578 57.187 0 U 6.878000E+03 0.000000E+00 e 0 0 0 0 1954 0.832 3.578 50.341 0 U 6.516000E+03 0.000000E+00 e 0 0 0 0 1955 4.127 3.515 81.549 0 U 2.638000E+04 0.000000E+00 e 0 0 0 0 1956 1.630 3.519 72.135 0 U 8.502000E+02 0.000000E+00 e 0 0 0 0 1957 0.844 3.522 56.934 3 U 7.477000E+02 0.000000E+00 e 0 0 0 0 1958 3.916 3.523 56.814 0 U -1.141000E+03 0.000000E+00 e 0 0 0 0 1959 1.950 3.509 60.667 3 U 6.462000E+02 0.000000E+00 e 0 0 0 0 1960 0.618 3.512 57.156 0 U 9.397000E+03 0.000000E+00 e 0 0 0 0 1961 4.445 3.500 68.600 0 U -1.391000E+03 0.000000E+00 e 0 0 0 0 1962 1.799 3.501 60.656 3 U 5.651000E+02 0.000000E+00 e 0 0 0 0 1963 1.477 3.495 58.433 0 U 2.250000E+03 0.000000E+00 e 0 0 0 0 1964 4.458 3.498 57.845 0 U -6.845000E+03 0.000000E+00 e 0 0 0 0 1965 1.601 3.494 55.815 0 U 2.250000E+03 0.000000E+00 e 0 0 0 0 1966 4.239 3.494 55.337 0 U -1.464000E+03 0.000000E+00 e 0 0 0 0 1967 2.767 3.491 76.715 0 U 9.374000E+03 0.000000E+00 e 0 0 0 0 1968 1.412 3.490 68.403 0 U 6.824000E+02 0.000000E+00 e 0 0 0 0 1969 0.938 3.488 62.549 0 U 6.904000E+02 0.000000E+00 e 0 0 0 0 1970 0.713 3.485 60.681 0 U 1.390000E+03 0.000000E+00 e 0 0 0 0 1971 1.334 3.489 60.522 0 U 7.045000E+02 0.000000E+00 e 0 0 0 0 1972 0.879 3.484 60.068 0 U 2.224000E+04 0.000000E+00 e 0 0 0 0 1973 2.169 3.489 59.185 0 U -5.349000E+02 0.000000E+00 e 0 0 0 0 1974 0.735 3.486 58.957 0 U 1.966000E+04 0.000000E+00 e 0 0 0 0 1975 1.902 3.484 52.090 3 U 8.249000E+03 0.000000E+00 e 0 0 0 0 1976 2.024 3.479 78.752 0 U 6.361000E+02 0.000000E+00 e 0 0 0 0 1977 2.153 3.480 67.439 0 U 1.986000E+03 0.000000E+00 e 0 0 0 0 1978 0.756 3.481 62.503 0 U 1.104000E+04 0.000000E+00 e 0 0 0 0 1979 1.997 3.480 62.422 0 U 2.253000E+03 0.000000E+00 e 0 0 0 0 1980 0.803 3.481 61.789 0 U 6.090000E+03 0.000000E+00 e 0 0 0 0 1981 1.108 3.479 59.224 0 U 1.342000E+03 0.000000E+00 e 0 0 0 0 1982 0.779 3.479 58.197 0 U 2.296000E+03 0.000000E+00 e 0 0 0 0 1983 0.575 3.476 50.880 0 U 7.628000E+02 0.000000E+00 e 0 0 0 0 1984 0.646 3.480 50.573 0 U 2.418000E+03 0.000000E+00 e 0 0 0 0 1985 1.235 3.471 78.745 0 U 4.762000E+02 0.000000E+00 e 0 0 0 0 1986 4.548 3.442 61.138 0 U -7.015000E+02 0.000000E+00 e 0 0 0 0 1987 0.910 3.446 54.591 0 U 1.477000E+03 0.000000E+00 e 0 0 0 0 1988 1.514 3.436 76.761 0 U 1.414000E+03 0.000000E+00 e 0 0 0 0 1989 2.631 3.433 73.271 0 U 9.931000E+03 0.000000E+00 e 0 0 0 0 1990 4.344 3.435 65.015 0 U -5.087000E+02 0.000000E+00 e 0 0 0 0 1991 1.546 3.436 62.218 0 U 1.161000E+03 0.000000E+00 e 0 0 0 0 1992 1.017 3.432 57.986 0 U 7.688000E+02 0.000000E+00 e 0 0 0 0 1993 0.620 3.434 53.838 0 U 2.384000E+03 0.000000E+00 e 0 0 0 0 1994 1.902 3.436 52.090 0 U 8.329000E+03 0.000000E+00 e 0 0 0 0 1995 4.385 3.434 50.647 0 U -1.610000E+03 0.000000E+00 e 0 0 0 0 1996 4.072 3.436 50.672 0 U -1.130000E+03 0.000000E+00 e 0 0 0 0 1997 0.378 3.431 50.475 0 U 3.602000E+03 0.000000E+00 e 0 0 0 0 1998 0.831 3.434 50.394 0 U 3.619000E+03 0.000000E+00 e 0 0 0 0 1999 1.137 3.427 57.191 0 U 8.090000E+03 0.000000E+00 e 0 0 0 0 2000 0.536 3.424 56.389 0 U 4.954000E+02 0.000000E+00 e 0 0 0 0 2001 1.963 3.428 54.211 0 U 7.568000E+03 0.000000E+00 e 0 0 0 0 2002 3.760 3.369 51.829 3 U -5.817000E+02 0.000000E+00 e 0 0 0 0 2003 4.227 3.367 50.725 3 U 6.241000E+02 0.000000E+00 e 0 0 0 0 2004 3.756 3.365 50.746 0 U -3.490000E+04 0.000000E+00 e 0 0 0 0 2005 3.963 3.356 80.786 0 U 8.261000E+02 0.000000E+00 e 0 0 0 0 2006 1.746 3.363 68.751 0 U 1.852000E+03 0.000000E+00 e 0 0 0 0 2007 1.868 3.358 67.417 0 U 2.068000E+03 0.000000E+00 e 0 0 0 0 2008 1.732 3.360 67.428 0 U 1.918000E+03 0.000000E+00 e 0 0 0 0 2009 1.864 3.360 63.453 0 U 6.163000E+03 0.000000E+00 e 0 0 0 0 2010 1.783 3.357 63.449 0 U 4.471000E+03 0.000000E+00 e 0 0 0 0 2011 4.232 3.362 59.812 0 U -1.704000E+04 0.000000E+00 e 0 0 0 0 2012 0.865 3.362 56.769 0 U 3.540000E+03 0.000000E+00 e 0 0 0 0 2013 0.764 3.361 56.716 2 U 1.186000E+04 0.000000E+00 e 0 0 0 0 2014 2.878 3.351 76.022 0 U 1.372000E+04 0.000000E+00 e 0 0 0 0 2015 3.986 3.351 64.811 0 U -1.373000E+03 0.000000E+00 e 0 0 0 0 2016 3.721 3.353 64.821 0 U -1.576000E+03 0.000000E+00 e 0 0 0 0 2017 0.728 3.351 55.087 0 U 5.097000E+02 0.000000E+00 e 0 0 0 0 2018 0.787 3.351 50.172 0 U 7.839000E+02 0.000000E+00 e 0 0 0 0 2019 4.540 3.326 72.884 3 U 1.318000E+03 0.000000E+00 e 0 0 0 0 2020 3.054 3.325 72.888 0 U 2.095000E+04 0.000000E+00 e 0 0 0 0 2021 0.553 3.324 62.292 0 U 9.677000E+02 0.000000E+00 e 0 0 0 0 2022 3.828 3.326 56.800 0 U -1.689000E+03 0.000000E+00 e 0 0 0 0 2023 4.539 3.328 54.464 0 U -6.459000E+03 0.000000E+00 e 0 0 0 0 2024 1.165 3.317 77.764 0 U 6.783000E+02 0.000000E+00 e 0 0 0 0 2025 1.782 3.286 63.425 3 U 1.182000E+03 0.000000E+00 e 0 0 0 0 2026 2.631 3.252 73.264 0 U 1.013000E+03 0.000000E+00 e 0 0 0 0 2027 1.598 3.249 67.270 0 U 1.270000E+03 0.000000E+00 e 0 0 0 0 2028 1.639 3.249 67.220 0 U 1.314000E+03 0.000000E+00 e 0 0 0 0 2029 0.084 3.252 59.530 0 U 1.920000E+04 0.000000E+00 e 0 0 0 0 2030 0.564 3.249 57.061 0 U 1.295000E+04 0.000000E+00 e 0 0 0 0 2031 0.728 3.251 55.115 0 U 9.662000E+02 0.000000E+00 e 0 0 0 0 2032 0.620 3.253 53.838 0 U 7.045000E+03 0.000000E+00 e 0 0 0 0 2033 0.378 3.252 50.482 0 U 2.945000E+03 0.000000E+00 e 0 0 0 0 2034 0.787 3.251 50.179 0 U 1.613000E+03 0.000000E+00 e 0 0 0 0 2035 2.036 3.245 68.986 0 U 6.392000E+02 0.000000E+00 e 0 0 0 0 2036 1.872 3.237 66.633 0 U 3.435000E+03 0.000000E+00 e 0 0 0 0 2037 2.164 3.244 59.122 0 U -4.576000E+02 0.000000E+00 e 0 0 0 0 2038 4.250 3.241 57.212 0 U -2.036000E+03 0.000000E+00 e 0 0 0 0 2039 1.962 3.247 54.215 0 U 1.348000E+03 0.000000E+00 e 0 0 0 0 2040 4.657 3.237 54.042 3 U -8.129000E+02 0.000000E+00 e 0 0 0 0 2041 1.723 3.229 63.463 2 U 9.386000E+03 0.000000E+00 e 0 0 0 0 2042 1.356 3.218 82.819 0 U 1.078000E+03 0.000000E+00 e 0 0 0 0 2043 1.308 3.217 82.777 0 U 9.677000E+02 0.000000E+00 e 0 0 0 0 2044 2.988 3.215 79.910 0 U 3.818000E+04 0.000000E+00 e 0 0 0 0 2045 1.215 3.218 77.764 0 U 1.412000E+03 0.000000E+00 e 0 0 0 0 2046 1.162 3.218 77.753 0 U 1.541000E+03 0.000000E+00 e 0 0 0 0 2047 2.367 3.219 67.931 0 U 1.527000E+03 0.000000E+00 e 0 0 0 0 2048 2.050 3.216 67.854 0 U 3.070000E+03 0.000000E+00 e 0 0 0 0 2049 1.513 3.216 64.065 0 U 2.375000E+03 0.000000E+00 e 0 0 0 0 2050 1.957 3.216 63.544 0 U 4.602000E+03 0.000000E+00 e 0 0 0 0 2051 0.553 3.219 62.331 3 U 1.674000E+03 0.000000E+00 e 0 0 0 0 2052 4.497 3.218 62.288 0 U -1.341000E+03 0.000000E+00 e 0 0 0 0 2053 4.036 3.218 62.046 0 U -1.126000E+03 0.000000E+00 e 0 0 0 0 2054 0.802 3.218 61.796 0 U 3.869000E+03 0.000000E+00 e 0 0 0 0 2055 0.894 3.218 60.772 3 U 4.000000E+03 0.000000E+00 e 0 0 0 0 2056 0.714 3.218 60.684 0 U 8.817000E+03 0.000000E+00 e 0 0 0 0 2057 1.108 3.218 59.228 0 U 6.339000E+03 0.000000E+00 e 0 0 0 0 2058 3.915 3.218 56.811 0 U -1.616000E+03 0.000000E+00 e 0 0 0 0 2059 0.865 3.217 54.197 0 U 4.642000E+03 0.000000E+00 e 0 0 0 0 2060 4.115 3.218 53.423 0 U -7.714000E+03 0.000000E+00 e 0 0 0 0 2061 0.574 3.219 50.873 0 U 1.266000E+03 0.000000E+00 e 0 0 0 0 2062 3.716 3.216 49.905 0 U -1.829000E+04 0.000000E+00 e 0 0 0 0 2063 1.824 3.211 67.748 2 U 2.985000E+03 0.000000E+00 e 0 0 0 0 2064 1.819 3.209 66.644 0 U 3.150000E+03 0.000000E+00 e 0 0 0 0 2065 1.590 3.213 64.107 0 U 2.543000E+03 0.000000E+00 e 0 0 0 0 2066 2.000 3.213 64.002 0 U 1.977000E+03 0.000000E+00 e 0 0 0 0 2067 1.652 3.205 63.136 0 U 8.317000E+03 0.000000E+00 e 0 0 0 0 2068 0.775 3.212 56.776 3 U 5.994000E+03 0.000000E+00 e 0 0 0 0 2069 2.232 3.197 73.324 0 U 2.724000E+03 0.000000E+00 e 0 0 0 0 2070 2.227 3.197 67.477 2 U 1.986000E+03 0.000000E+00 e 0 0 0 0 2071 1.868 3.196 67.435 0 U 4.795000E+03 0.000000E+00 e 0 0 0 0 2072 1.731 3.198 67.439 0 U 2.997000E+03 0.000000E+00 e 0 0 0 0 2073 1.908 3.195 66.633 0 U 3.274000E+03 0.000000E+00 e 0 0 0 0 2074 1.791 3.199 64.322 2 U 3.687000E+03 0.000000E+00 e 0 0 0 0 2075 1.308 3.201 64.329 2 U 3.653000E+03 0.000000E+00 e 0 0 0 0 2076 0.934 3.195 58.770 0 U 5.758000E+02 0.000000E+00 e 0 0 0 0 2077 1.302 3.197 57.912 0 U 9.620000E+02 0.000000E+00 e 0 0 0 0 2078 0.736 3.197 57.856 0 U 7.356000E+02 0.000000E+00 e 0 0 0 0 2079 4.582 3.202 56.501 0 U -7.677000E+02 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0 0 0 5008 1.660 4.243 70.039 2 U 4.578000E+02 0.000000E+00 e 0 0 0 0 5009 2.132 4.241 69.904 2 U 4.386000E+02 0.000000E+00 e 0 0 0 0 5010 2.116 6.920 69.262 0 U 2.807000E+02 0.000000E+00 e 0 0 0 0 5011 2.244 6.918 69.296 0 U 3.188000E+02 0.000000E+00 e 0 0 0 0 5012 2.122 7.630 69.296 0 U 5.168000E+02 0.000000E+00 e 0 0 0 0 5013 2.307 9.397 69.431 0 U 4.123000E+02 0.000000E+00 e 0 0 0 0 5014 2.117 3.170 69.397 0 U 4.848000E+02 0.000000E+00 e 0 0 0 0 5015 2.368 4.599 69.262 0 U 4.933000E+02 0.000000E+00 e 0 0 0 0 5016 2.368 4.499 69.262 0 U 6.663000E+02 0.000000E+00 e 0 0 0 0 5017 1.527 3.873 69.431 0 U 4.108000E+02 0.000000E+00 e 0 0 0 0 5018 2.087 5.076 69.127 0 U 5.651000E+02 0.000000E+00 e 0 0 0 0 5019 1.546 3.002 69.803 0 U 7.618000E+02 0.000000E+00 e 0 0 0 0 5020 1.415 7.289 68.451 0 U 6.542000E+02 0.000000E+00 e 0 0 0 0 5021 1.413 7.218 68.552 0 U 4.386000E+02 0.000000E+00 e 0 0 0 0 5022 1.744 7.399 68.721 0 U 7.728000E+02 0.000000E+00 e 0 0 0 0 5023 1.816 7.285 67.471 2 U 4.128000E+02 0.000000E+00 e 0 0 0 0 5024 1.610 7.818 67.235 0 U 4.457000E+02 0.000000E+00 e 0 0 0 0 5025 1.652 7.578 65.038 3 U 5.288000E+02 0.000000E+00 e 0 0 0 0 5026 1.663 7.467 65.038 2 U 7.326000E+02 0.000000E+00 e 0 0 0 0 5027 1.651 7.836 65.106 2 U 4.148000E+02 0.000000E+00 e 0 0 0 0 5028 1.641 7.740 65.140 0 U 4.627000E+02 0.000000E+00 e 0 0 0 0 5029 1.641 8.629 65.173 0 U 7.155000E+02 0.000000E+00 e 0 0 0 0 5030 1.607 8.629 65.173 0 U 6.743000E+02 0.000000E+00 e 0 0 0 0 5031 1.510 7.773 63.315 0 U 3.791000E+02 0.000000E+00 e 0 0 0 0 5032 1.543 7.033 62.132 0 U 3.530000E+02 0.000000E+00 e 0 0 0 0 5033 2.000 7.948 62.369 2 U 6.763000E+02 0.000000E+00 e 0 0 0 0 5034 4.415 9.208 59.496 0 U -5.995000E+02 0.000000E+00 e 0 0 0 0 5035 4.001 8.192 59.192 0 U -3.811000E+02 0.000000E+00 e 0 0 0 0 5036 3.999 8.472 59.260 0 U -4.654000E+02 0.000000E+00 e 0 0 0 0 5037 1.017 8.381 57.874 3 U 4.528000E+02 0.000000E+00 e 0 0 0 0 5038 1.134 8.287 57.503 0 U 1.666000E+03 0.000000E+00 e 0 0 0 0 5039 1.134 8.444 57.503 0 U 1.104000E+03 0.000000E+00 e 0 0 0 0 5040 1.276 8.460 57.401 0 U 3.902000E+02 0.000000E+00 e 0 0 0 0 5041 0.563 8.341 57.097 2 U 1.030000E+03 0.000000E+00 e 0 0 0 0 5042 1.276 8.177 57.334 0 U 4.807000E+03 0.000000E+00 e 0 0 0 0 5043 1.136 8.554 57.266 0 U 6.582000E+02 0.000000E+00 e 0 0 0 0 5044 4.245 7.901 55.610 0 U -8.440000E+02 0.000000E+00 e 0 0 0 0 5045 4.394 8.449 55.914 0 U -1.131000E+03 0.000000E+00 e 0 0 0 0 5046 4.290 7.871 56.320 0 U -8.571000E+02 0.000000E+00 e 0 0 0 0 5047 4.346 7.940 56.590 0 U -1.224000E+03 0.000000E+00 e 0 0 0 0 5048 4.290 8.292 56.320 0 U -8.787000E+02 0.000000E+00 e 0 0 0 0 5049 4.220 8.471 54.597 3 U -5.661000E+02 0.000000E+00 e 0 0 0 0 5050 4.389 7.779 50.609 2 U -3.440000E+02 0.000000E+00 e 0 0 0 0 5051 0.642 7.742 50.508 3 U 2.846000E+02 0.000000E+00 e 0 0 0 0 5052 0.827 8.844 50.440 3 U 3.585000E+02 0.000000E+00 e 0 0 0 0 5053 0.787 8.583 50.204 0 U 3.525000E+02 0.000000E+00 e 0 0 0 0 5054 3.715 7.830 49.866 0 U -5.988000E+02 0.000000E+00 e 0 0 0 0 5055 3.220 8.485 49.900 2 U -3.055000E+02 0.000000E+00 e 0 0 0 0 5056 3.749 2.059 83.116 0 U 4.254000E+02 0.000000E+00 e 0 0 0 0 5057 3.914 2.056 83.116 0 U 4.585000E+02 0.000000E+00 e 0 0 0 0 5058 3.753 4.613 83.184 0 U 3.575000E+02 0.000000E+00 e 0 0 0 0 5059 3.431 3.141 82.069 0 U 4.684000E+02 0.000000E+00 e 0 0 0 0 5060 3.986 0.953 81.427 3 U 8.381000E+02 0.000000E+00 e 0 0 0 0 5061 3.908 1.705 81.393 0 U 7.899000E+02 0.000000E+00 e 0 0 0 0 5062 3.908 1.826 81.393 3 U 7.346000E+02 0.000000E+00 e 0 0 0 0 5063 3.908 1.413 81.393 3 U 6.954000E+02 0.000000E+00 e 0 0 0 0 5064 1.389 0.933 78.521 0 U 1.280000E+03 0.000000E+00 e 0 0 0 0 5065 1.685 3.582 78.284 0 U 4.173000E+02 0.000000E+00 e 0 0 0 0 5066 1.213 2.047 77.777 0 U 6.170000E+02 0.000000E+00 e 0 0 0 0 5067 1.152 2.050 77.777 0 U 6.492000E+02 0.000000E+00 e 0 0 0 0 5068 2.876 0.561 76.088 0 U 3.374000E+02 0.000000E+00 e 0 0 0 0 5069 3.361 0.084 76.088 0 U 3.781000E+02 0.000000E+00 e 0 0 0 0 5070 2.880 0.084 75.986 0 U 3.003000E+02 0.000000E+00 e 0 0 0 0 5071 3.357 0.553 75.986 0 U 2.871000E+02 0.000000E+00 e 0 0 0 0 5072 3.360 0.854 75.986 0 U 2.768000E+02 0.000000E+00 e 0 0 0 0 5073 2.883 0.773 75.986 2 U 5.935000E+02 0.000000E+00 e 0 0 0 0 5074 1.558 3.130 76.223 0 U 9.066000E+02 0.000000E+00 e 0 0 0 0 5075 2.605 1.476 74.533 0 U 4.933000E+02 0.000000E+00 e 0 0 0 0 5076 2.634 0.827 73.283 0 U 3.113000E+02 0.000000E+00 e 0 0 0 0 5077 3.429 0.824 73.215 0 U 4.492000E+02 0.000000E+00 e 0 0 0 0 5078 2.626 0.539 73.249 0 U 3.213000E+02 0.000000E+00 e 0 0 0 0 5079 3.440 2.126 73.182 0 U 5.502000E+02 0.000000E+00 e 0 0 0 0 5080 3.442 2.032 73.249 0 U 3.049000E+02 0.000000E+00 e 0 0 0 0 5081 1.765 0.558 71.661 0 U 3.701000E+02 0.000000E+00 e 0 0 0 0 5082 2.102 0.833 71.661 3 U 6.492000E+02 0.000000E+00 e 0 0 0 0 5083 1.562 2.109 70.783 0 U 5.225000E+02 0.000000E+00 e 0 0 0 0 5084 1.835 2.109 70.783 0 U 7.497000E+02 0.000000E+00 e 0 0 0 0 5085 2.103 2.647 69.870 0 U 1.503000E+03 0.000000E+00 e 0 0 0 0 5086 1.553 2.645 69.735 0 U 7.125000E+02 0.000000E+00 e 0 0 0 0 5087 2.085 0.932 69.499 0 U 1.867000E+03 0.000000E+00 e 0 0 0 0 5088 2.040 0.783 68.890 3 U 1.348000E+03 0.000000E+00 e 0 0 0 0 5089 1.414 2.769 68.451 0 U 5.886000E+02 0.000000E+00 e 0 0 0 0 5090 2.087 3.029 68.214 0 U 4.393000E+02 0.000000E+00 e 0 0 0 0 5091 1.813 5.064 67.471 0 U 4.304000E+02 0.000000E+00 e 0 0 0 0 5092 2.219 5.064 67.403 0 U 3.761000E+02 0.000000E+00 e 0 0 0 0 5093 1.733 4.230 67.403 0 U 4.528000E+02 0.000000E+00 e 0 0 0 0 5094 1.814 3.985 67.505 0 U 8.462000E+02 0.000000E+00 e 0 0 0 0 5095 2.793 2.087 67.235 2 U 7.909000E+02 0.000000E+00 e 0 0 0 0 5096 1.611 2.586 65.173 0 U 8.966000E+02 0.000000E+00 e 0 0 0 0 5097 2.196 2.363 65.139 0 U 1.221000E+04 0.000000E+00 e 0 0 0 0 5098 2.048 2.366 65.173 0 U 1.369000E+04 0.000000E+00 e 0 0 0 0 5099 1.476 5.065 63.720 2 U 7.135000E+02 0.000000E+00 e 0 0 0 0 5100 1.517 3.717 63.315 0 U 4.319000E+02 0.000000E+00 e 0 0 0 0 5101 1.515 3.214 63.315 0 U 5.068000E+02 0.000000E+00 e 0 0 0 0 5102 1.515 0.802 63.315 2 U 1.115000E+04 0.000000E+00 e 0 0 0 0 5103 1.652 4.369 63.044 2 U 2.829000E+03 0.000000E+00 e 0 0 0 0 5104 0.962 4.872 63.382 0 U 1.668000E+03 0.000000E+00 e 0 0 0 0 5105 1.591 2.595 63.315 3 U 4.485000E+02 0.000000E+00 e 0 0 0 0 5106 0.967 9.499 63.315 0 U 6.392000E+02 0.000000E+00 e 0 0 0 0 5107 1.375 2.107 62.808 0 U 6.743000E+02 0.000000E+00 e 0 0 0 0 5108 1.378 2.412 62.909 0 U 4.819000E+02 0.000000E+00 e 0 0 0 0 5109 1.385 4.802 62.875 0 U 5.118000E+02 0.000000E+00 e 0 0 0 0 5110 1.351 4.860 62.977 0 U 5.331000E+02 0.000000E+00 e 0 0 0 0 5111 1.346 3.223 63.044 0 U 5.985000E+02 0.000000E+00 e 0 0 0 0 5112 0.884 1.334 61.051 2 U 2.201000E+04 0.000000E+00 e 0 0 0 0 5113 0.918 2.131 61.220 0 U 1.787000E+03 0.000000E+00 e 0 0 0 0 5114 1.354 4.247 60.713 0 U 1.666000E+03 0.000000E+00 e 0 0 0 0 5115 4.455 0.859 58.449 3 U -8.460000E+02 0.000000E+00 e 0 0 0 0 5116 4.452 0.949 58.584 0 U -9.213000E+02 0.000000E+00 e 0 0 0 0 5117 4.454 1.651 58.449 0 U -8.560000E+02 0.000000E+00 e 0 0 0 0 5118 1.277 3.437 57.300 0 U 5.601000E+02 0.000000E+00 e 0 0 0 0 5119 0.777 4.323 56.861 3 U 9.932000E+02 0.000000E+00 e 0 0 0 0 5120 0.774 4.547 56.759 0 U 2.247000E+03 0.000000E+00 e 0 0 0 0 5121 1.425 3.895 55.441 3 U 1.838000E+03 0.000000E+00 e 0 0 0 0 5122 1.425 3.958 55.543 0 U 1.884000E+03 0.000000E+00 e 0 0 0 0 5123 4.661 2.433 54.191 0 U -7.366000E+02 0.000000E+00 e 0 0 0 0 5124 4.262 1.845 53.650 0 U -5.477000E+02 0.000000E+00 e 0 0 0 0 5125 4.396 0.557 52.535 0 U -4.072000E+02 0.000000E+00 e 0 0 0 0 5126 4.383 0.547 50.677 0 U -3.555000E+02 0.000000E+00 e 0 0 0 0 5127 3.876 0.765 50.846 0 U -5.867000E+02 0.000000E+00 e 0 0 0 0 5128 3.876 1.277 50.846 0 U -2.963000E+02 0.000000E+00 e 0 0 0 0 5129 3.748 1.274 50.812 0 U -4.082000E+02 0.000000E+00 e 0 0 0 0 5130 3.496 3.391 49.967 3 U -2.747000E+03 0.000000E+00 e 0 0 0 0 5131 3.387 3.492 49.967 3 U -2.028000E+03 0.000000E+00 e 0 0 0 0 5132 1.286 7.456 57.881 0 U 6.783000E+02 0.000000E+00 e 0 0 0 0 5133 2.445 9.348 73.510 0 U 5.779000E+02 0.000000E+00 e 0 0 0 0 5134 2.926 7.396 75.657 0 U 1.046000E+03 0.000000E+00 e 0 0 0 0 5135 1.276 6.761 57.306 0 U 6.472000E+02 0.000000E+00 e 0 0 0 0 5136 2.443 4.185 69.880 0 U 4.858000E+03 0.000000E+00 e 0 0 0 0 5137 4.262 2.131 56.394 0 U -1.089000E+04 0.000000E+00 e 0 0 0 0 5138 2.141 0.764 68.191 0 U 2.313000E+03 0.000000E+00 e 0 0 0 0 5139 7.668 1.563 66.105 0 U -2.977000E+02 0.000000E+00 e 0 0 0 0 5140 7.668 1.796 66.105 0 U -3.565000E+02 0.000000E+00 e 0 0 0 0 5141 1.902 9.156 52.137 0 U 8.579000E+03 0.000000E+00 e 0 0 0 0 5142 1.285 7.680 57.881 0 U 1.790000E+03 0.000000E+00 e 0 0 0 0 5143 1.133 7.889 57.577 0 U 1.906000E+03 0.000000E+00 e 0 0 0 0 5144 6.172 1.735 57.493 0 U -4.576000E+02 0.000000E+00 e 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H 2 'not observed' 15.9819 ppm . . . 4.80 . . 34766 1 2 . . C 13 C 1 aliased 36.0059 ppm . . . 66.12 . . 34766 1 3 . . H 1 H . 'not observed' 11.0018 ppm . . . 4.80 . . 34766 1 stop_ save_