data_30925 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30925 _Entry.Title ; NMR Solution structure of Se0862 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-06-11 _Entry.Accession_date 2021-06-11 _Entry.Last_release_date 2021-07-09 _Entry.Original_release_date 2021-07-09 _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 N. Zhang N. . . . 30925 2 A. LiWang A. L. . . 30925 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'UNKNOWN FUNCTION' . 30925 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30925 spectral_peak_list 2 30925 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 461 30925 '15N chemical shifts' 121 30925 '1H chemical shifts' 791 30925 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-02-24 2021-06-11 update BMRB 'update entry citation' 30925 1 . . 2021-07-12 2021-06-11 original author 'original release' 30925 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7N82 'BMRB Entry Tracking System' 30925 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30925 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34559429 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Assessment of prediction methods for protein structures determined by NMR in CASP14: Impact of AlphaFold2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 89 _Citation.Journal_issue 12 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1097-0134 _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 1959 _Citation.Page_last 1976 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Yuanpeng Janet' Huang Y. J. . . 30925 1 2 Ning Zhang N. . . . 30925 1 3 Beate Bersch B. . . . 30925 1 4 Krzysztof Fidelis K. . . . 30925 1 5 Masayori Inouye M. . . . 30925 1 6 Yojiro Ishida Y. . . . 30925 1 7 Andriy Kryshtafovych A. . . . 30925 1 8 Naohiro Kobayashi N. . . . 30925 1 9 Yutaka Kuroda Y. . . . 30925 1 10 Gaohua Liu G. . . . 30925 1 11 Andy LiWang A. . . . 30925 1 12 G Swapna . . . . 30925 1 13 Nan Wu N. . . . 30925 1 14 Toshio Yamazaki T. . . . 30925 1 15 Gaetano Montelione G. T. . . 30925 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30925 _Assembly.ID 1 _Assembly.Name 'Biofilm-related protein' _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 . . . . . . 30925 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30925 _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 ; MRIDELVPADPRAVSLYTPY YSQANRRRYLPYALSLYQGS SIEGSRAVEGGAPISFVATW TVTPLPADMTRCHLQFNNDA ELTYEILLPNHEFLEYLIDM LMGYQRMQKTDFPGAFYRRL LGYDS ; _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 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14425.336 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 30925 1 2 . ARG . 30925 1 3 . ILE . 30925 1 4 . ASP . 30925 1 5 . GLU . 30925 1 6 . LEU . 30925 1 7 . VAL . 30925 1 8 . PRO . 30925 1 9 . ALA . 30925 1 10 . ASP . 30925 1 11 . PRO . 30925 1 12 . ARG . 30925 1 13 . ALA . 30925 1 14 . VAL . 30925 1 15 . SER . 30925 1 16 . LEU . 30925 1 17 . TYR . 30925 1 18 . THR . 30925 1 19 . PRO . 30925 1 20 . TYR . 30925 1 21 . TYR . 30925 1 22 . SER . 30925 1 23 . GLN . 30925 1 24 . ALA . 30925 1 25 . ASN . 30925 1 26 . ARG . 30925 1 27 . ARG . 30925 1 28 . ARG . 30925 1 29 . TYR . 30925 1 30 . LEU . 30925 1 31 . PRO . 30925 1 32 . TYR . 30925 1 33 . ALA . 30925 1 34 . LEU . 30925 1 35 . SER . 30925 1 36 . LEU . 30925 1 37 . TYR . 30925 1 38 . GLN . 30925 1 39 . GLY . 30925 1 40 . SER . 30925 1 41 . SER . 30925 1 42 . ILE . 30925 1 43 . GLU . 30925 1 44 . GLY . 30925 1 45 . SER . 30925 1 46 . ARG . 30925 1 47 . ALA . 30925 1 48 . VAL . 30925 1 49 . GLU . 30925 1 50 . GLY . 30925 1 51 . GLY . 30925 1 52 . ALA . 30925 1 53 . PRO . 30925 1 54 . ILE . 30925 1 55 . SER . 30925 1 56 . PHE . 30925 1 57 . VAL . 30925 1 58 . ALA . 30925 1 59 . THR . 30925 1 60 . TRP . 30925 1 61 . THR . 30925 1 62 . VAL . 30925 1 63 . THR . 30925 1 64 . PRO . 30925 1 65 . LEU . 30925 1 66 . PRO . 30925 1 67 . ALA . 30925 1 68 . ASP . 30925 1 69 . MET . 30925 1 70 . THR . 30925 1 71 . ARG . 30925 1 72 . CYS . 30925 1 73 . HIS . 30925 1 74 . LEU . 30925 1 75 . GLN . 30925 1 76 . PHE . 30925 1 77 . ASN . 30925 1 78 . ASN . 30925 1 79 . ASP . 30925 1 80 . ALA . 30925 1 81 . GLU . 30925 1 82 . LEU . 30925 1 83 . THR . 30925 1 84 . TYR . 30925 1 85 . GLU . 30925 1 86 . ILE . 30925 1 87 . LEU . 30925 1 88 . LEU . 30925 1 89 . PRO . 30925 1 90 . ASN . 30925 1 91 . HIS . 30925 1 92 . GLU . 30925 1 93 . PHE . 30925 1 94 . LEU . 30925 1 95 . GLU . 30925 1 96 . TYR . 30925 1 97 . LEU . 30925 1 98 . ILE . 30925 1 99 . ASP . 30925 1 100 . MET . 30925 1 101 . LEU . 30925 1 102 . MET . 30925 1 103 . GLY . 30925 1 104 . TYR . 30925 1 105 . GLN . 30925 1 106 . ARG . 30925 1 107 . MET . 30925 1 108 . GLN . 30925 1 109 . LYS . 30925 1 110 . THR . 30925 1 111 . ASP . 30925 1 112 . PHE . 30925 1 113 . PRO . 30925 1 114 . GLY . 30925 1 115 . ALA . 30925 1 116 . PHE . 30925 1 117 . TYR . 30925 1 118 . ARG . 30925 1 119 . ARG . 30925 1 120 . LEU . 30925 1 121 . LEU . 30925 1 122 . GLY . 30925 1 123 . TYR . 30925 1 124 . ASP . 30925 1 125 . SER . 30925 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 30925 1 . ARG 2 2 30925 1 . ILE 3 3 30925 1 . ASP 4 4 30925 1 . GLU 5 5 30925 1 . LEU 6 6 30925 1 . VAL 7 7 30925 1 . PRO 8 8 30925 1 . ALA 9 9 30925 1 . ASP 10 10 30925 1 . PRO 11 11 30925 1 . ARG 12 12 30925 1 . ALA 13 13 30925 1 . VAL 14 14 30925 1 . SER 15 15 30925 1 . LEU 16 16 30925 1 . TYR 17 17 30925 1 . THR 18 18 30925 1 . PRO 19 19 30925 1 . TYR 20 20 30925 1 . TYR 21 21 30925 1 . SER 22 22 30925 1 . GLN 23 23 30925 1 . ALA 24 24 30925 1 . ASN 25 25 30925 1 . ARG 26 26 30925 1 . ARG 27 27 30925 1 . ARG 28 28 30925 1 . TYR 29 29 30925 1 . LEU 30 30 30925 1 . PRO 31 31 30925 1 . TYR 32 32 30925 1 . ALA 33 33 30925 1 . LEU 34 34 30925 1 . SER 35 35 30925 1 . LEU 36 36 30925 1 . TYR 37 37 30925 1 . GLN 38 38 30925 1 . GLY 39 39 30925 1 . SER 40 40 30925 1 . SER 41 41 30925 1 . ILE 42 42 30925 1 . GLU 43 43 30925 1 . GLY 44 44 30925 1 . SER 45 45 30925 1 . ARG 46 46 30925 1 . ALA 47 47 30925 1 . VAL 48 48 30925 1 . GLU 49 49 30925 1 . GLY 50 50 30925 1 . GLY 51 51 30925 1 . ALA 52 52 30925 1 . PRO 53 53 30925 1 . ILE 54 54 30925 1 . SER 55 55 30925 1 . PHE 56 56 30925 1 . VAL 57 57 30925 1 . ALA 58 58 30925 1 . THR 59 59 30925 1 . TRP 60 60 30925 1 . THR 61 61 30925 1 . VAL 62 62 30925 1 . THR 63 63 30925 1 . PRO 64 64 30925 1 . LEU 65 65 30925 1 . PRO 66 66 30925 1 . ALA 67 67 30925 1 . ASP 68 68 30925 1 . MET 69 69 30925 1 . THR 70 70 30925 1 . ARG 71 71 30925 1 . CYS 72 72 30925 1 . HIS 73 73 30925 1 . LEU 74 74 30925 1 . GLN 75 75 30925 1 . PHE 76 76 30925 1 . ASN 77 77 30925 1 . ASN 78 78 30925 1 . ASP 79 79 30925 1 . ALA 80 80 30925 1 . GLU 81 81 30925 1 . LEU 82 82 30925 1 . THR 83 83 30925 1 . TYR 84 84 30925 1 . GLU 85 85 30925 1 . ILE 86 86 30925 1 . LEU 87 87 30925 1 . LEU 88 88 30925 1 . PRO 89 89 30925 1 . ASN 90 90 30925 1 . HIS 91 91 30925 1 . GLU 92 92 30925 1 . PHE 93 93 30925 1 . LEU 94 94 30925 1 . GLU 95 95 30925 1 . TYR 96 96 30925 1 . LEU 97 97 30925 1 . ILE 98 98 30925 1 . ASP 99 99 30925 1 . MET 100 100 30925 1 . LEU 101 101 30925 1 . MET 102 102 30925 1 . GLY 103 103 30925 1 . TYR 104 104 30925 1 . GLN 105 105 30925 1 . ARG 106 106 30925 1 . MET 107 107 30925 1 . GLN 108 108 30925 1 . LYS 109 109 30925 1 . THR 110 110 30925 1 . ASP 111 111 30925 1 . PHE 112 112 30925 1 . PRO 113 113 30925 1 . GLY 114 114 30925 1 . ALA 115 115 30925 1 . PHE 116 116 30925 1 . TYR 117 117 30925 1 . ARG 118 118 30925 1 . ARG 119 119 30925 1 . LEU 120 120 30925 1 . LEU 121 121 30925 1 . GLY 122 122 30925 1 . TYR 123 123 30925 1 . ASP 124 124 30925 1 . SER 125 125 30925 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 30925 _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 . 32046 organism . 'Synechococcus elongatus' 'Synechococcus elongatus' . . Bacteria . Synechococcus elongatus . . . . . . . . . . . . . 30925 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 30925 _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-Gold(DE3)pLysS AG'" . . 866768 . . . . . . . . . . . . 30925 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30925 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.6 mM [U-100% 13C; U-100% 15N] Se0862, 20 mM TRIS, 100 mM sodium chloride, 5 mM TCEP, 10 uM DSS, 0.02 % v/v sodium azide, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Se0862 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 30925 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 30925 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 30925 1 4 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 30925 1 5 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 30925 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% v/v' . . . . 30925 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30925 _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' 125 . mM 30925 1 pH 7 . pH 30925 1 pressure 1013.25 . mbar 30925 1 temperature 295 . K 30925 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30925 _Software.ID 1 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30925 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30925 1 'structure calculation' . 30925 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30925 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee W, Tonelli M, Markley JL' . . 30925 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30925 2 'peak picking' . 30925 2 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 30925 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE DMX' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 30925 _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 DMX' . 600 . . . 30925 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 30925 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30925 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30925 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30925 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30925 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30925 1 6 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30925 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30925 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30925 1 9 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30925 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30925 1 11 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30925 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30925 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 30925 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details DSS 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 'methylene protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 30925 1 H 1 DSS 'methylene protons' . . . . ppm 0 internal direct 1 . . . . . 30925 1 N 15 DSS 'methylene protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 30925 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 30925 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30925 1 2 '2D 1H-13C HSQC' . . . 30925 1 3 '3D HNCACB' . . . 30925 1 4 '3D CBCA(CO)NH' . . . 30925 1 5 '3D HNCO' . . . 30925 1 6 '3D HCCH-COSY' . . . 30925 1 7 '3D 1H-15N NOESY' . . . 30925 1 8 '3D 1H-13C NOESY' . . . 30925 1 9 '3D C(CO)NH' . . . 30925 1 10 '3D HBHA(CO)NH' . . . 30925 1 11 '3D HN(CO)CA' . . . 30925 1 12 '3D HCCH-TOCSY' . . . 30925 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 2 2 ARG HA H 1 4.431 0.01 . . . . . . A 2 ARG HA . 30925 1 2 . 1 . 1 2 2 ARG HB2 H 1 2.030 0.00 . . . . . . A 2 ARG HB2 . 30925 1 3 . 1 . 1 2 2 ARG HB3 H 1 2.030 0.00 . . . . . . A 2 ARG HB3 . 30925 1 4 . 1 . 1 2 2 ARG HG2 H 1 1.725 0.00 . . . . . . A 2 ARG HG2 . 30925 1 5 . 1 . 1 2 2 ARG HG3 H 1 1.725 0.00 . . . . . . A 2 ARG HG3 . 30925 1 6 . 1 . 1 2 2 ARG HD2 H 1 3.297 0.00 . . . . . . A 2 ARG HD2 . 30925 1 7 . 1 . 1 2 2 ARG HD3 H 1 3.297 0.00 . . . . . . A 2 ARG HD3 . 30925 1 8 . 1 . 1 2 2 ARG C C 13 177.947 0.00 . . . . . . A 2 ARG C . 30925 1 9 . 1 . 1 2 2 ARG CA C 13 55.690 0.00 . . . . . . A 2 ARG CA . 30925 1 10 . 1 . 1 2 2 ARG CB C 13 32.237 0.00 . . . . . . A 2 ARG CB . 30925 1 11 . 1 . 1 2 2 ARG CG C 13 27.369 0.00 . . . . . . A 2 ARG CG . 30925 1 12 . 1 . 1 2 2 ARG CD C 13 43.208 0.00 . . . . . . A 2 ARG CD . 30925 1 13 . 1 . 1 3 3 ILE H H 1 8.492 0.00 . . . . . . A 3 ILE H . 30925 1 14 . 1 . 1 3 3 ILE HA H 1 3.451 0.01 . . . . . . A 3 ILE HA . 30925 1 15 . 1 . 1 3 3 ILE HB H 1 0.912 0.18 . . . . . . A 3 ILE HB . 30925 1 16 . 1 . 1 3 3 ILE HG12 H 1 1.403 0.20 . . . . . . A 3 ILE HG12 . 30925 1 17 . 1 . 1 3 3 ILE HG13 H 1 0.823 0.01 . . . . . . A 3 ILE HG13 . 30925 1 18 . 1 . 1 3 3 ILE HG21 H 1 0.348 0.09 . . . . . . A 3 ILE HG21 . 30925 1 19 . 1 . 1 3 3 ILE HG22 H 1 0.348 0.09 . . . . . . A 3 ILE HG22 . 30925 1 20 . 1 . 1 3 3 ILE HG23 H 1 0.348 0.09 . . . . . . A 3 ILE HG23 . 30925 1 21 . 1 . 1 3 3 ILE HD11 H 1 0.603 0.14 . . . . . . A 3 ILE HD11 . 30925 1 22 . 1 . 1 3 3 ILE HD12 H 1 0.603 0.14 . . . . . . A 3 ILE HD12 . 30925 1 23 . 1 . 1 3 3 ILE HD13 H 1 0.603 0.14 . . . . . . A 3 ILE HD13 . 30925 1 24 . 1 . 1 3 3 ILE C C 13 177.002 0.10 . . . . . . A 3 ILE C . 30925 1 25 . 1 . 1 3 3 ILE CA C 13 64.666 0.10 . . . . . . A 3 ILE CA . 30925 1 26 . 1 . 1 3 3 ILE CB C 13 37.283 0.05 . . . . . . A 3 ILE CB . 30925 1 27 . 1 . 1 3 3 ILE CG1 C 13 30.095 0.04 . . . . . . A 3 ILE CG1 . 30925 1 28 . 1 . 1 3 3 ILE CG2 C 13 21.219 9.92 . . . . . . A 3 ILE CG2 . 30925 1 29 . 1 . 1 3 3 ILE CD1 C 13 13.421 0.00 . . . . . . A 3 ILE CD1 . 30925 1 30 . 1 . 1 3 3 ILE N N 15 121.842 0.01 . . . . . . A 3 ILE N . 30925 1 31 . 1 . 1 4 4 ASP H H 1 8.237 0.00 . . . . . . A 4 ASP H . 30925 1 32 . 1 . 1 4 4 ASP HA H 1 4.404 0.01 . . . . . . A 4 ASP HA . 30925 1 33 . 1 . 1 4 4 ASP HB2 H 1 2.895 0.00 . . . . . . A 4 ASP HB2 . 30925 1 34 . 1 . 1 4 4 ASP HB3 H 1 2.754 0.00 . . . . . . A 4 ASP HB3 . 30925 1 35 . 1 . 1 4 4 ASP C C 13 176.607 0.11 . . . . . . A 4 ASP C . 30925 1 36 . 1 . 1 4 4 ASP CA C 13 55.047 0.11 . . . . . . A 4 ASP CA . 30925 1 37 . 1 . 1 4 4 ASP CB C 13 39.811 0.04 . . . . . . A 4 ASP CB . 30925 1 38 . 1 . 1 4 4 ASP N N 15 115.464 0.01 . . . . . . A 4 ASP N . 30925 1 39 . 1 . 1 5 5 GLU H H 1 7.471 0.00 . . . . . . A 5 GLU H . 30925 1 40 . 1 . 1 5 5 GLU HA H 1 4.465 0.01 . . . . . . A 5 GLU HA . 30925 1 41 . 1 . 1 5 5 GLU HB2 H 1 2.157 0.05 . . . . . . A 5 GLU HB2 . 30925 1 42 . 1 . 1 5 5 GLU HB3 H 1 2.117 0.00 . . . . . . A 5 GLU HB3 . 30925 1 43 . 1 . 1 5 5 GLU HG2 H 1 2.263 0.00 . . . . . . A 5 GLU HG2 . 30925 1 44 . 1 . 1 5 5 GLU HG3 H 1 2.286 0.01 . . . . . . A 5 GLU HG3 . 30925 1 45 . 1 . 1 5 5 GLU C C 13 176.496 0.06 . . . . . . A 5 GLU C . 30925 1 46 . 1 . 1 5 5 GLU CA C 13 55.567 0.06 . . . . . . A 5 GLU CA . 30925 1 47 . 1 . 1 5 5 GLU CB C 13 31.028 0.05 . . . . . . A 5 GLU CB . 30925 1 48 . 1 . 1 5 5 GLU CG C 13 36.781 0.07 . . . . . . A 5 GLU CG . 30925 1 49 . 1 . 1 5 5 GLU N N 15 117.270 0.01 . . . . . . A 5 GLU N . 30925 1 50 . 1 . 1 6 6 LEU H H 1 7.271 0.00 . . . . . . A 6 LEU H . 30925 1 51 . 1 . 1 6 6 LEU HA H 1 4.388 0.00 . . . . . . A 6 LEU HA . 30925 1 52 . 1 . 1 6 6 LEU HB2 H 1 2.081 0.02 . . . . . . A 6 LEU HB2 . 30925 1 53 . 1 . 1 6 6 LEU HB3 H 1 1.683 0.28 . . . . . . A 6 LEU HB3 . 30925 1 54 . 1 . 1 6 6 LEU HG H 1 1.488 0.00 . . . . . . A 6 LEU HG . 30925 1 55 . 1 . 1 6 6 LEU HD11 H 1 0.987 0.07 . . . . . . A 6 LEU HD11 . 30925 1 56 . 1 . 1 6 6 LEU HD12 H 1 0.987 0.07 . . . . . . A 6 LEU HD12 . 30925 1 57 . 1 . 1 6 6 LEU HD13 H 1 0.987 0.07 . . . . . . A 6 LEU HD13 . 30925 1 58 . 1 . 1 6 6 LEU HD21 H 1 0.918 0.01 . . . . . . A 6 LEU HD21 . 30925 1 59 . 1 . 1 6 6 LEU HD22 H 1 0.918 0.01 . . . . . . A 6 LEU HD22 . 30925 1 60 . 1 . 1 6 6 LEU HD23 H 1 0.918 0.01 . . . . . . A 6 LEU HD23 . 30925 1 61 . 1 . 1 6 6 LEU C C 13 176.993 0.04 . . . . . . A 6 LEU C . 30925 1 62 . 1 . 1 6 6 LEU CA C 13 55.954 0.04 . . . . . . A 6 LEU CA . 30925 1 63 . 1 . 1 6 6 LEU CB C 13 43.620 0.03 . . . . . . A 6 LEU CB . 30925 1 64 . 1 . 1 6 6 LEU CG C 13 27.836 0.03 . . . . . . A 6 LEU CG . 30925 1 65 . 1 . 1 6 6 LEU CD1 C 13 22.440 0.00 . . . . . . A 6 LEU CD1 . 30925 1 66 . 1 . 1 6 6 LEU CD2 C 13 28.504 11.94 . . . . . . A 6 LEU CD2 . 30925 1 67 . 1 . 1 6 6 LEU N N 15 119.140 0.02 . . . . . . A 6 LEU N . 30925 1 68 . 1 . 1 7 7 VAL H H 1 7.952 0.00 . . . . . . A 7 VAL H . 30925 1 69 . 1 . 1 7 7 VAL HA H 1 4.031 0.00 . . . . . . A 7 VAL HA . 30925 1 70 . 1 . 1 7 7 VAL HB H 1 2.217 0.00 . . . . . . A 7 VAL HB . 30925 1 71 . 1 . 1 7 7 VAL HG11 H 1 0.814 0.10 . . . . . . A 7 VAL HG11 . 30925 1 72 . 1 . 1 7 7 VAL HG12 H 1 0.814 0.10 . . . . . . A 7 VAL HG12 . 30925 1 73 . 1 . 1 7 7 VAL HG13 H 1 0.814 0.10 . . . . . . A 7 VAL HG13 . 30925 1 74 . 1 . 1 7 7 VAL HG21 H 1 0.822 0.01 . . . . . . A 7 VAL HG21 . 30925 1 75 . 1 . 1 7 7 VAL HG22 H 1 0.822 0.01 . . . . . . A 7 VAL HG22 . 30925 1 76 . 1 . 1 7 7 VAL HG23 H 1 0.822 0.01 . . . . . . A 7 VAL HG23 . 30925 1 77 . 1 . 1 7 7 VAL C C 13 173.746 0.13 . . . . . . A 7 VAL C . 30925 1 78 . 1 . 1 7 7 VAL CA C 13 58.469 0.13 . . . . . . A 7 VAL CA . 30925 1 79 . 1 . 1 7 7 VAL CB C 13 32.282 0.05 . . . . . . A 7 VAL CB . 30925 1 80 . 1 . 1 7 7 VAL N N 15 116.820 0.01 . . . . . . A 7 VAL N . 30925 1 81 . 1 . 1 8 8 PRO HB2 H 1 2.072 0.00 . . . . . . A 8 PRO HB2 . 30925 1 82 . 1 . 1 8 8 PRO HB3 H 1 2.072 0.00 . . . . . . A 8 PRO HB3 . 30925 1 83 . 1 . 1 8 8 PRO HG2 H 1 1.763 0.00 . . . . . . A 8 PRO HG2 . 30925 1 84 . 1 . 1 8 8 PRO HG3 H 1 1.604 0.00 . . . . . . A 8 PRO HG3 . 30925 1 85 . 1 . 1 8 8 PRO HD2 H 1 3.248 0.00 . . . . . . A 8 PRO HD2 . 30925 1 86 . 1 . 1 8 8 PRO HD3 H 1 3.248 0.00 . . . . . . A 8 PRO HD3 . 30925 1 87 . 1 . 1 8 8 PRO C C 13 176.304 0.00 . . . . . . A 8 PRO C . 30925 1 88 . 1 . 1 8 8 PRO CA C 13 63.086 0.00 . . . . . . A 8 PRO CA . 30925 1 89 . 1 . 1 8 8 PRO CB C 13 31.762 0.00 . . . . . . A 8 PRO CB . 30925 1 90 . 1 . 1 8 8 PRO CG C 13 27.255 0.00 . . . . . . A 8 PRO CG . 30925 1 91 . 1 . 1 8 8 PRO CD C 13 50.324 0.00 . . . . . . A 8 PRO CD . 30925 1 92 . 1 . 1 9 9 ALA H H 1 7.624 0.00 . . . . . . A 9 ALA H . 30925 1 93 . 1 . 1 9 9 ALA HA H 1 4.162 0.00 . . . . . . A 9 ALA HA . 30925 1 94 . 1 . 1 9 9 ALA HB1 H 1 1.399 0.00 . . . . . . A 9 ALA HB1 . 30925 1 95 . 1 . 1 9 9 ALA HB2 H 1 1.399 0.00 . . . . . . A 9 ALA HB2 . 30925 1 96 . 1 . 1 9 9 ALA HB3 H 1 1.399 0.00 . . . . . . A 9 ALA HB3 . 30925 1 97 . 1 . 1 9 9 ALA C C 13 174.721 0.16 . . . . . . A 9 ALA C . 30925 1 98 . 1 . 1 9 9 ALA CA C 13 51.488 0.16 . . . . . . A 9 ALA CA . 30925 1 99 . 1 . 1 9 9 ALA CB C 13 20.334 0.02 . . . . . . A 9 ALA CB . 30925 1 100 . 1 . 1 9 9 ALA N N 15 124.998 0.00 . . . . . . A 9 ALA N . 30925 1 101 . 1 . 1 10 10 ASP H H 1 8.390 0.00 . . . . . . A 10 ASP H . 30925 1 102 . 1 . 1 10 10 ASP HA H 1 4.611 0.01 . . . . . . A 10 ASP HA . 30925 1 103 . 1 . 1 10 10 ASP HB2 H 1 2.788 0.00 . . . . . . A 10 ASP HB2 . 30925 1 104 . 1 . 1 10 10 ASP HB3 H 1 2.692 0.00 . . . . . . A 10 ASP HB3 . 30925 1 105 . 1 . 1 10 10 ASP C C 13 175.608 0.11 . . . . . . A 10 ASP C . 30925 1 106 . 1 . 1 10 10 ASP CA C 13 52.517 0.11 . . . . . . A 10 ASP CA . 30925 1 107 . 1 . 1 10 10 ASP CB C 13 42.699 0.04 . . . . . . A 10 ASP CB . 30925 1 108 . 1 . 1 10 10 ASP N N 15 119.483 0.01 . . . . . . A 10 ASP N . 30925 1 109 . 1 . 1 11 11 PRO HA H 1 4.228 0.00 . . . . . . A 11 PRO HA . 30925 1 110 . 1 . 1 11 11 PRO HB2 H 1 2.472 0.00 . . . . . . A 11 PRO HB2 . 30925 1 111 . 1 . 1 11 11 PRO HB3 H 1 2.472 0.00 . . . . . . A 11 PRO HB3 . 30925 1 112 . 1 . 1 11 11 PRO HG2 H 1 2.147 0.00 . . . . . . A 11 PRO HG2 . 30925 1 113 . 1 . 1 11 11 PRO HG3 H 1 2.046 0.00 . . . . . . A 11 PRO HG3 . 30925 1 114 . 1 . 1 11 11 PRO HD2 H 1 3.917 0.00 . . . . . . A 11 PRO HD2 . 30925 1 115 . 1 . 1 11 11 PRO HD3 H 1 3.917 0.00 . . . . . . A 11 PRO HD3 . 30925 1 116 . 1 . 1 11 11 PRO C C 13 179.279 0.00 . . . . . . A 11 PRO C . 30925 1 117 . 1 . 1 11 11 PRO CA C 13 65.181 0.00 . . . . . . A 11 PRO CA . 30925 1 118 . 1 . 1 11 11 PRO CB C 13 32.403 0.00 . . . . . . A 11 PRO CB . 30925 1 119 . 1 . 1 11 11 PRO CG C 13 27.287 0.00 . . . . . . A 11 PRO CG . 30925 1 120 . 1 . 1 11 11 PRO CD C 13 51.218 0.00 . . . . . . A 11 PRO CD . 30925 1 121 . 1 . 1 12 12 ARG H H 1 8.964 0.00 . . . . . . A 12 ARG H . 30925 1 122 . 1 . 1 12 12 ARG HA H 1 4.176 0.00 . . . . . . A 12 ARG HA . 30925 1 123 . 1 . 1 12 12 ARG HB2 H 1 1.956 0.00 . . . . . . A 12 ARG HB2 . 30925 1 124 . 1 . 1 12 12 ARG HB3 H 1 1.956 0.00 . . . . . . A 12 ARG HB3 . 30925 1 125 . 1 . 1 12 12 ARG HG2 H 1 1.787 0.00 . . . . . . A 12 ARG HG2 . 30925 1 126 . 1 . 1 12 12 ARG HG3 H 1 1.789 0.00 . . . . . . A 12 ARG HG3 . 30925 1 127 . 1 . 1 12 12 ARG HD2 H 1 3.301 0.00 . . . . . . A 12 ARG HD2 . 30925 1 128 . 1 . 1 12 12 ARG HD3 H 1 3.301 0.00 . . . . . . A 12 ARG HD3 . 30925 1 129 . 1 . 1 12 12 ARG C C 13 179.346 0.00 . . . . . . A 12 ARG C . 30925 1 130 . 1 . 1 12 12 ARG CA C 13 59.213 0.00 . . . . . . A 12 ARG CA . 30925 1 131 . 1 . 1 12 12 ARG CB C 13 29.602 0.00 . . . . . . A 12 ARG CB . 30925 1 132 . 1 . 1 12 12 ARG CG C 13 26.976 0.00 . . . . . . A 12 ARG CG . 30925 1 133 . 1 . 1 12 12 ARG CD C 13 43.172 0.00 . . . . . . A 12 ARG CD . 30925 1 134 . 1 . 1 12 12 ARG N N 15 119.090 0.02 . . . . . . A 12 ARG N . 30925 1 135 . 1 . 1 13 13 ALA H H 1 7.667 0.00 . . . . . . A 13 ALA H . 30925 1 136 . 1 . 1 13 13 ALA HA H 1 4.419 0.01 . . . . . . A 13 ALA HA . 30925 1 137 . 1 . 1 13 13 ALA HB1 H 1 1.674 0.00 . . . . . . A 13 ALA HB1 . 30925 1 138 . 1 . 1 13 13 ALA HB2 H 1 1.674 0.00 . . . . . . A 13 ALA HB2 . 30925 1 139 . 1 . 1 13 13 ALA HB3 H 1 1.674 0.00 . . . . . . A 13 ALA HB3 . 30925 1 140 . 1 . 1 13 13 ALA C C 13 179.775 0.13 . . . . . . A 13 ALA C . 30925 1 141 . 1 . 1 13 13 ALA CA C 13 54.906 0.13 . . . . . . A 13 ALA CA . 30925 1 142 . 1 . 1 13 13 ALA CB C 13 18.089 0.04 . . . . . . A 13 ALA CB . 30925 1 143 . 1 . 1 13 13 ALA N N 15 123.562 0.01 . . . . . . A 13 ALA N . 30925 1 144 . 1 . 1 14 14 VAL H H 1 7.863 0.00 . . . . . . A 14 VAL H . 30925 1 145 . 1 . 1 14 14 VAL HA H 1 3.404 0.00 . . . . . . A 14 VAL HA . 30925 1 146 . 1 . 1 14 14 VAL HB H 1 2.197 0.00 . . . . . . A 14 VAL HB . 30925 1 147 . 1 . 1 14 14 VAL HG11 H 1 0.863 0.10 . . . . . . A 14 VAL HG11 . 30925 1 148 . 1 . 1 14 14 VAL HG12 H 1 0.863 0.10 . . . . . . A 14 VAL HG12 . 30925 1 149 . 1 . 1 14 14 VAL HG13 H 1 0.863 0.10 . . . . . . A 14 VAL HG13 . 30925 1 150 . 1 . 1 14 14 VAL HG21 H 1 0.930 0.01 . . . . . . A 14 VAL HG21 . 30925 1 151 . 1 . 1 14 14 VAL HG22 H 1 0.930 0.01 . . . . . . A 14 VAL HG22 . 30925 1 152 . 1 . 1 14 14 VAL HG23 H 1 0.930 0.01 . . . . . . A 14 VAL HG23 . 30925 1 153 . 1 . 1 14 14 VAL C C 13 179.685 0.13 . . . . . . A 14 VAL C . 30925 1 154 . 1 . 1 14 14 VAL CA C 13 66.915 0.13 . . . . . . A 14 VAL CA . 30925 1 155 . 1 . 1 14 14 VAL CB C 13 31.708 0.05 . . . . . . A 14 VAL CB . 30925 1 156 . 1 . 1 14 14 VAL CG1 C 13 23.527 0.06 . . . . . . A 14 VAL CG1 . 30925 1 157 . 1 . 1 14 14 VAL CG2 C 13 21.666 0.09 . . . . . . A 14 VAL CG2 . 30925 1 158 . 1 . 1 14 14 VAL N N 15 117.007 0.01 . . . . . . A 14 VAL N . 30925 1 159 . 1 . 1 15 15 SER H H 1 8.452 0.00 . . . . . . A 15 SER H . 30925 1 160 . 1 . 1 15 15 SER HA H 1 4.211 0.14 . . . . . . A 15 SER HA . 30925 1 161 . 1 . 1 15 15 SER HB2 H 1 4.068 0.00 . . . . . . A 15 SER HB2 . 30925 1 162 . 1 . 1 15 15 SER HB3 H 1 4.072 0.00 . . . . . . A 15 SER HB3 . 30925 1 163 . 1 . 1 15 15 SER C C 13 176.154 0.00 . . . . . . A 15 SER C . 30925 1 164 . 1 . 1 15 15 SER CA C 13 62.331 0.00 . . . . . . A 15 SER CA . 30925 1 165 . 1 . 1 15 15 SER CB C 13 63.180 0.00 . . . . . . A 15 SER CB . 30925 1 166 . 1 . 1 15 15 SER N N 15 115.434 0.01 . . . . . . A 15 SER N . 30925 1 167 . 1 . 1 16 16 LEU H H 1 7.491 0.00 . . . . . . A 16 LEU H . 30925 1 168 . 1 . 1 16 16 LEU HA H 1 4.224 0.01 . . . . . . A 16 LEU HA . 30925 1 169 . 1 . 1 16 16 LEU HB2 H 1 2.102 0.00 . . . . . . A 16 LEU HB2 . 30925 1 170 . 1 . 1 16 16 LEU HB3 H 1 1.591 0.10 . . . . . . A 16 LEU HB3 . 30925 1 171 . 1 . 1 16 16 LEU HG H 1 1.823 0.13 . . . . . . A 16 LEU HG . 30925 1 172 . 1 . 1 16 16 LEU HD11 H 1 1.089 0.03 . . . . . . A 16 LEU HD11 . 30925 1 173 . 1 . 1 16 16 LEU HD12 H 1 1.089 0.03 . . . . . . A 16 LEU HD12 . 30925 1 174 . 1 . 1 16 16 LEU HD13 H 1 1.089 0.03 . . . . . . A 16 LEU HD13 . 30925 1 175 . 1 . 1 16 16 LEU HD21 H 1 1.013 0.02 . . . . . . A 16 LEU HD21 . 30925 1 176 . 1 . 1 16 16 LEU HD22 H 1 1.013 0.02 . . . . . . A 16 LEU HD22 . 30925 1 177 . 1 . 1 16 16 LEU HD23 H 1 1.013 0.02 . . . . . . A 16 LEU HD23 . 30925 1 178 . 1 . 1 16 16 LEU C C 13 178.106 0.07 . . . . . . A 16 LEU C . 30925 1 179 . 1 . 1 16 16 LEU CA C 13 57.418 0.07 . . . . . . A 16 LEU CA . 30925 1 180 . 1 . 1 16 16 LEU CB C 13 42.460 0.03 . . . . . . A 16 LEU CB . 30925 1 181 . 1 . 1 16 16 LEU CG C 13 26.634 0.07 . . . . . . A 16 LEU CG . 30925 1 182 . 1 . 1 16 16 LEU CD1 C 13 25.016 0.03 . . . . . . A 16 LEU CD1 . 30925 1 183 . 1 . 1 16 16 LEU CD2 C 13 23.282 0.03 . . . . . . A 16 LEU CD2 . 30925 1 184 . 1 . 1 16 16 LEU N N 15 120.153 0.01 . . . . . . A 16 LEU N . 30925 1 185 . 1 . 1 17 17 TYR H H 1 7.774 0.14 . . . . . . A 17 TYR H . 30925 1 186 . 1 . 1 17 17 TYR HA H 1 4.476 0.02 . . . . . . A 17 TYR HA . 30925 1 187 . 1 . 1 17 17 TYR HB2 H 1 3.387 0.02 . . . . . . A 17 TYR HB2 . 30925 1 188 . 1 . 1 17 17 TYR HB3 H 1 3.120 0.01 . . . . . . A 17 TYR HB3 . 30925 1 189 . 1 . 1 17 17 TYR HD1 H 1 7.431 0.00 . . . . . . A 17 TYR HD1 . 30925 1 190 . 1 . 1 17 17 TYR HD2 H 1 7.157 0.27 . . . . . . A 17 TYR HD2 . 30925 1 191 . 1 . 1 17 17 TYR C C 13 176.792 0.13 . . . . . . A 17 TYR C . 30925 1 192 . 1 . 1 17 17 TYR CA C 13 60.890 0.13 . . . . . . A 17 TYR CA . 30925 1 193 . 1 . 1 17 17 TYR CB C 13 41.624 0.06 . . . . . . A 17 TYR CB . 30925 1 194 . 1 . 1 17 17 TYR N N 15 114.373 0.01 . . . . . . A 17 TYR N . 30925 1 195 . 1 . 1 18 18 THR H H 1 8.179 4.50 . . . . . . A 18 THR H . 30925 1 196 . 1 . 1 18 18 THR HG21 H 1 1.216 0.00 . . . . . . A 18 THR HG21 . 30925 1 197 . 1 . 1 18 18 THR HG22 H 1 1.216 0.00 . . . . . . A 18 THR HG22 . 30925 1 198 . 1 . 1 18 18 THR HG23 H 1 1.216 0.00 . . . . . . A 18 THR HG23 . 30925 1 199 . 1 . 1 18 18 THR C C 13 175.888 0.00 . . . . . . A 18 THR C . 30925 1 200 . 1 . 1 18 18 THR CA C 13 68.263 0.00 . . . . . . A 18 THR CA . 30925 1 201 . 1 . 1 18 18 THR CB C 13 69.928 0.00 . . . . . . A 18 THR CB . 30925 1 202 . 1 . 1 18 18 THR CG2 C 13 21.463 0.04 . . . . . . A 18 THR CG2 . 30925 1 203 . 1 . 1 18 18 THR N N 15 117.240 0.00 . . . . . . A 18 THR N . 30925 1 204 . 1 . 1 19 19 PRO HA H 1 4.297 0.00 . . . . . . A 19 PRO HA . 30925 1 205 . 1 . 1 19 19 PRO HB2 H 1 2.216 0.00 . . . . . . A 19 PRO HB2 . 30925 1 206 . 1 . 1 19 19 PRO HB3 H 1 2.216 0.00 . . . . . . A 19 PRO HB3 . 30925 1 207 . 1 . 1 19 19 PRO HG2 H 1 1.897 0.00 . . . . . . A 19 PRO HG2 . 30925 1 208 . 1 . 1 19 19 PRO HG3 H 1 1.292 0.00 . . . . . . A 19 PRO HG3 . 30925 1 209 . 1 . 1 19 19 PRO HD2 H 1 3.458 0.00 . . . . . . A 19 PRO HD2 . 30925 1 210 . 1 . 1 19 19 PRO HD3 H 1 3.458 0.00 . . . . . . A 19 PRO HD3 . 30925 1 211 . 1 . 1 19 19 PRO C C 13 177.092 0.00 . . . . . . A 19 PRO C . 30925 1 212 . 1 . 1 19 19 PRO CA C 13 65.217 0.00 . . . . . . A 19 PRO CA . 30925 1 213 . 1 . 1 19 19 PRO CB C 13 31.384 0.00 . . . . . . A 19 PRO CB . 30925 1 214 . 1 . 1 19 19 PRO CG C 13 27.778 0.00 . . . . . . A 19 PRO CG . 30925 1 215 . 1 . 1 19 19 PRO CD C 13 51.074 0.00 . . . . . . A 19 PRO CD . 30925 1 216 . 1 . 1 20 20 TYR H H 1 7.947 0.00 . . . . . . A 20 TYR H . 30925 1 217 . 1 . 1 20 20 TYR HA H 1 3.835 0.00 . . . . . . A 20 TYR HA . 30925 1 218 . 1 . 1 20 20 TYR HB2 H 1 2.738 0.01 . . . . . . A 20 TYR HB2 . 30925 1 219 . 1 . 1 20 20 TYR HB3 H 1 2.467 0.00 . . . . . . A 20 TYR HB3 . 30925 1 220 . 1 . 1 20 20 TYR HD1 H 1 7.042 0.00 . . . . . . A 20 TYR HD1 . 30925 1 221 . 1 . 1 20 20 TYR HD2 H 1 6.960 0.08 . . . . . . A 20 TYR HD2 . 30925 1 222 . 1 . 1 20 20 TYR C C 13 175.048 0.04 . . . . . . A 20 TYR C . 30925 1 223 . 1 . 1 20 20 TYR CA C 13 59.994 0.04 . . . . . . A 20 TYR CA . 30925 1 224 . 1 . 1 20 20 TYR CB C 13 37.191 0.11 . . . . . . A 20 TYR CB . 30925 1 225 . 1 . 1 20 20 TYR N N 15 112.977 0.03 . . . . . . A 20 TYR N . 30925 1 226 . 1 . 1 21 21 TYR H H 1 7.502 0.00 . . . . . . A 21 TYR H . 30925 1 227 . 1 . 1 21 21 TYR HA H 1 5.000 0.00 . . . . . . A 21 TYR HA . 30925 1 228 . 1 . 1 21 21 TYR HB2 H 1 3.027 0.03 . . . . . . A 21 TYR HB2 . 30925 1 229 . 1 . 1 21 21 TYR HB3 H 1 2.821 0.00 . . . . . . A 21 TYR HB3 . 30925 1 230 . 1 . 1 21 21 TYR HD1 H 1 7.217 0.00 . . . . . . A 21 TYR HD1 . 30925 1 231 . 1 . 1 21 21 TYR HD2 H 1 7.218 0.00 . . . . . . A 21 TYR HD2 . 30925 1 232 . 1 . 1 21 21 TYR HE1 H 1 6.885 0.00 . . . . . . A 21 TYR HE1 . 30925 1 233 . 1 . 1 21 21 TYR C C 13 174.823 0.07 . . . . . . A 21 TYR C . 30925 1 234 . 1 . 1 21 21 TYR CA C 13 56.591 0.07 . . . . . . A 21 TYR CA . 30925 1 235 . 1 . 1 21 21 TYR CB C 13 39.529 0.06 . . . . . . A 21 TYR CB . 30925 1 236 . 1 . 1 21 21 TYR N N 15 118.730 0.01 . . . . . . A 21 TYR N . 30925 1 237 . 1 . 1 22 22 SER H H 1 8.737 0.00 . . . . . . A 22 SER H . 30925 1 238 . 1 . 1 22 22 SER HA H 1 4.369 0.08 . . . . . . A 22 SER HA . 30925 1 239 . 1 . 1 22 22 SER HB2 H 1 3.996 0.00 . . . . . . A 22 SER HB2 . 30925 1 240 . 1 . 1 22 22 SER HB3 H 1 3.889 0.02 . . . . . . A 22 SER HB3 . 30925 1 241 . 1 . 1 22 22 SER C C 13 175.351 0.05 . . . . . . A 22 SER C . 30925 1 242 . 1 . 1 22 22 SER CA C 13 59.988 0.05 . . . . . . A 22 SER CA . 30925 1 243 . 1 . 1 22 22 SER CB C 13 63.857 0.08 . . . . . . A 22 SER CB . 30925 1 244 . 1 . 1 22 22 SER N N 15 119.027 0.02 . . . . . . A 22 SER N . 30925 1 245 . 1 . 1 23 23 GLN H H 1 8.324 0.00 . . . . . . A 23 GLN H . 30925 1 246 . 1 . 1 23 23 GLN HA H 1 4.322 0.00 . . . . . . A 23 GLN HA . 30925 1 247 . 1 . 1 23 23 GLN HB2 H 1 2.080 0.01 . . . . . . A 23 GLN HB2 . 30925 1 248 . 1 . 1 23 23 GLN HB3 H 1 2.080 0.01 . . . . . . A 23 GLN HB3 . 30925 1 249 . 1 . 1 23 23 GLN HG2 H 1 2.302 0.01 . . . . . . A 23 GLN HG2 . 30925 1 250 . 1 . 1 23 23 GLN HG3 H 1 2.300 0.07 . . . . . . A 23 GLN HG3 . 30925 1 251 . 1 . 1 23 23 GLN HE21 H 1 7.426 0.33 . . . . . . A 23 GLN HE21 . 30925 1 252 . 1 . 1 23 23 GLN HE22 H 1 7.426 0.33 . . . . . . A 23 GLN HE22 . 30925 1 253 . 1 . 1 23 23 GLN C C 13 177.063 0.04 . . . . . . A 23 GLN C . 30925 1 254 . 1 . 1 23 23 GLN CA C 13 54.309 0.04 . . . . . . A 23 GLN CA . 30925 1 255 . 1 . 1 23 23 GLN CB C 13 28.914 0.04 . . . . . . A 23 GLN CB . 30925 1 256 . 1 . 1 23 23 GLN CG C 13 35.034 0.00 . . . . . . A 23 GLN CG . 30925 1 257 . 1 . 1 23 23 GLN N N 15 121.590 0.02 . . . . . . A 23 GLN N . 30925 1 258 . 1 . 1 23 23 GLN NE2 N 15 112.627 0.00 . . . . . . A 23 GLN NE2 . 30925 1 259 . 1 . 1 25 25 ASN HA H 1 4.511 0.00 . . . . . . A 25 ASN HA . 30925 1 260 . 1 . 1 25 25 ASN HB2 H 1 3.010 0.00 . . . . . . A 25 ASN HB2 . 30925 1 261 . 1 . 1 25 25 ASN HB3 H 1 3.010 0.00 . . . . . . A 25 ASN HB3 . 30925 1 262 . 1 . 1 25 25 ASN CA C 13 56.247 0.00 . . . . . . A 25 ASN CA . 30925 1 263 . 1 . 1 26 26 ARG H H 1 7.286 0.00 . . . . . . A 26 ARG H . 30925 1 264 . 1 . 1 26 26 ARG HA H 1 4.338 0.00 . . . . . . A 26 ARG HA . 30925 1 265 . 1 . 1 26 26 ARG HB2 H 1 2.013 0.06 . . . . . . A 26 ARG HB2 . 30925 1 266 . 1 . 1 26 26 ARG HB3 H 1 1.955 0.00 . . . . . . A 26 ARG HB3 . 30925 1 267 . 1 . 1 26 26 ARG HG2 H 1 1.608 0.00 . . . . . . A 26 ARG HG2 . 30925 1 268 . 1 . 1 26 26 ARG HG3 H 1 1.606 0.00 . . . . . . A 26 ARG HG3 . 30925 1 269 . 1 . 1 26 26 ARG HD2 H 1 3.473 0.10 . . . . . . A 26 ARG HD2 . 30925 1 270 . 1 . 1 26 26 ARG HD3 H 1 3.232 0.01 . . . . . . A 26 ARG HD3 . 30925 1 271 . 1 . 1 26 26 ARG C C 13 178.628 0.05 . . . . . . A 26 ARG C . 30925 1 272 . 1 . 1 26 26 ARG CA C 13 59.514 0.05 . . . . . . A 26 ARG CA . 30925 1 273 . 1 . 1 26 26 ARG CB C 13 30.556 0.00 . . . . . . A 26 ARG CB . 30925 1 274 . 1 . 1 26 26 ARG CG C 13 28.650 0.00 . . . . . . A 26 ARG CG . 30925 1 275 . 1 . 1 26 26 ARG CD C 13 42.816 0.01 . . . . . . A 26 ARG CD . 30925 1 276 . 1 . 1 26 26 ARG N N 15 117.394 0.01 . . . . . . A 26 ARG N . 30925 1 277 . 1 . 1 27 27 ARG H H 1 8.197 0.00 . . . . . . A 27 ARG H . 30925 1 278 . 1 . 1 27 27 ARG HA H 1 3.873 0.00 . . . . . . A 27 ARG HA . 30925 1 279 . 1 . 1 27 27 ARG HB2 H 1 2.034 0.04 . . . . . . A 27 ARG HB2 . 30925 1 280 . 1 . 1 27 27 ARG HB3 H 1 1.994 0.01 . . . . . . A 27 ARG HB3 . 30925 1 281 . 1 . 1 27 27 ARG HG2 H 1 1.663 0.00 . . . . . . A 27 ARG HG2 . 30925 1 282 . 1 . 1 27 27 ARG HG3 H 1 1.600 0.06 . . . . . . A 27 ARG HG3 . 30925 1 283 . 1 . 1 27 27 ARG HD2 H 1 3.331 0.00 . . . . . . A 27 ARG HD2 . 30925 1 284 . 1 . 1 27 27 ARG HD3 H 1 3.331 0.00 . . . . . . A 27 ARG HD3 . 30925 1 285 . 1 . 1 27 27 ARG C C 13 178.833 0.08 . . . . . . A 27 ARG C . 30925 1 286 . 1 . 1 27 27 ARG CA C 13 60.196 0.08 . . . . . . A 27 ARG CA . 30925 1 287 . 1 . 1 27 27 ARG CB C 13 29.823 0.00 . . . . . . A 27 ARG CB . 30925 1 288 . 1 . 1 27 27 ARG CG C 13 29.220 0.00 . . . . . . A 27 ARG CG . 30925 1 289 . 1 . 1 27 27 ARG CD C 13 43.634 0.00 . . . . . . A 27 ARG CD . 30925 1 290 . 1 . 1 27 27 ARG N N 15 117.911 0.01 . . . . . . A 27 ARG N . 30925 1 291 . 1 . 1 28 28 ARG H H 1 7.790 0.00 . . . . . . A 28 ARG H . 30925 1 292 . 1 . 1 28 28 ARG HA H 1 4.134 0.00 . . . . . . A 28 ARG HA . 30925 1 293 . 1 . 1 28 28 ARG HB2 H 1 1.923 0.00 . . . . . . A 28 ARG HB2 . 30925 1 294 . 1 . 1 28 28 ARG HB3 H 1 1.772 0.00 . . . . . . A 28 ARG HB3 . 30925 1 295 . 1 . 1 28 28 ARG HG2 H 1 1.550 0.00 . . . . . . A 28 ARG HG2 . 30925 1 296 . 1 . 1 28 28 ARG HG3 H 1 1.423 0.00 . . . . . . A 28 ARG HG3 . 30925 1 297 . 1 . 1 28 28 ARG HD2 H 1 3.098 0.00 . . . . . . A 28 ARG HD2 . 30925 1 298 . 1 . 1 28 28 ARG HD3 H 1 3.098 0.00 . . . . . . A 28 ARG HD3 . 30925 1 299 . 1 . 1 28 28 ARG C C 13 177.648 0.00 . . . . . . A 28 ARG C . 30925 1 300 . 1 . 1 28 28 ARG CA C 13 58.771 0.00 . . . . . . A 28 ARG CA . 30925 1 301 . 1 . 1 28 28 ARG CB C 13 29.807 0.00 . . . . . . A 28 ARG CB . 30925 1 302 . 1 . 1 28 28 ARG CG C 13 26.855 0.00 . . . . . . A 28 ARG CG . 30925 1 303 . 1 . 1 28 28 ARG CD C 13 43.263 0.00 . . . . . . A 28 ARG CD . 30925 1 304 . 1 . 1 28 28 ARG N N 15 117.849 0.01 . . . . . . A 28 ARG N . 30925 1 305 . 1 . 1 29 29 TYR H H 1 7.467 0.00 . . . . . . A 29 TYR H . 30925 1 306 . 1 . 1 29 29 TYR HA H 1 4.517 0.01 . . . . . . A 29 TYR HA . 30925 1 307 . 1 . 1 29 29 TYR HB2 H 1 3.200 0.00 . . . . . . A 29 TYR HB2 . 30925 1 308 . 1 . 1 29 29 TYR HB3 H 1 3.026 0.01 . . . . . . A 29 TYR HB3 . 30925 1 309 . 1 . 1 29 29 TYR HD1 H 1 7.077 0.23 . . . . . . A 29 TYR HD1 . 30925 1 310 . 1 . 1 29 29 TYR HD2 H 1 7.307 0.00 . . . . . . A 29 TYR HD2 . 30925 1 311 . 1 . 1 29 29 TYR HE1 H 1 7.301 0.00 . . . . . . A 29 TYR HE1 . 30925 1 312 . 1 . 1 29 29 TYR C C 13 177.256 0.09 . . . . . . A 29 TYR C . 30925 1 313 . 1 . 1 29 29 TYR CA C 13 60.239 0.09 . . . . . . A 29 TYR CA . 30925 1 314 . 1 . 1 29 29 TYR CB C 13 40.617 0.06 . . . . . . A 29 TYR CB . 30925 1 315 . 1 . 1 29 29 TYR N N 15 113.820 0.01 . . . . . . A 29 TYR N . 30925 1 316 . 1 . 1 30 30 LEU H H 1 7.851 0.00 . . . . . . A 30 LEU H . 30925 1 317 . 1 . 1 30 30 LEU HA H 1 3.930 0.00 . . . . . . A 30 LEU HA . 30925 1 318 . 1 . 1 30 30 LEU HB2 H 1 1.459 0.00 . . . . . . A 30 LEU HB2 . 30925 1 319 . 1 . 1 30 30 LEU C C 13 173.361 0.16 . . . . . . A 30 LEU C . 30925 1 320 . 1 . 1 30 30 LEU CA C 13 59.685 0.16 . . . . . . A 30 LEU CA . 30925 1 321 . 1 . 1 30 30 LEU CB C 13 40.472 0.16 . . . . . . A 30 LEU CB . 30925 1 322 . 1 . 1 30 30 LEU N N 15 122.903 0.02 . . . . . . A 30 LEU N . 30925 1 323 . 1 . 1 31 31 PRO HA H 1 4.032 0.01 . . . . . . A 31 PRO HA . 30925 1 324 . 1 . 1 31 31 PRO HB2 H 1 2.396 0.00 . . . . . . A 31 PRO HB2 . 30925 1 325 . 1 . 1 31 31 PRO HB3 H 1 2.225 0.00 . . . . . . A 31 PRO HB3 . 30925 1 326 . 1 . 1 31 31 PRO HG2 H 1 1.949 0.00 . . . . . . A 31 PRO HG2 . 30925 1 327 . 1 . 1 31 31 PRO HG3 H 1 1.222 0.00 . . . . . . A 31 PRO HG3 . 30925 1 328 . 1 . 1 31 31 PRO HD2 H 1 3.450 0.00 . . . . . . A 31 PRO HD2 . 30925 1 329 . 1 . 1 31 31 PRO HD3 H 1 3.450 0.00 . . . . . . A 31 PRO HD3 . 30925 1 330 . 1 . 1 31 31 PRO C C 13 178.778 0.16 . . . . . . A 31 PRO C . 30925 1 331 . 1 . 1 31 31 PRO CA C 13 66.530 0.16 . . . . . . A 31 PRO CA . 30925 1 332 . 1 . 1 31 31 PRO CB C 13 31.384 0.00 . . . . . . A 31 PRO CB . 30925 1 333 . 1 . 1 31 31 PRO CG C 13 28.841 0.00 . . . . . . A 31 PRO CG . 30925 1 334 . 1 . 1 32 32 TYR H H 1 6.970 0.00 . . . . . . A 32 TYR H . 30925 1 335 . 1 . 1 32 32 TYR HA H 1 4.201 0.00 . . . . . . A 32 TYR HA . 30925 1 336 . 1 . 1 32 32 TYR HB2 H 1 3.078 0.00 . . . . . . A 32 TYR HB2 . 30925 1 337 . 1 . 1 32 32 TYR HB3 H 1 2.977 0.00 . . . . . . A 32 TYR HB3 . 30925 1 338 . 1 . 1 32 32 TYR HD1 H 1 6.890 0.00 . . . . . . A 32 TYR HD1 . 30925 1 339 . 1 . 1 32 32 TYR HE2 H 1 6.624 0.00 . . . . . . A 32 TYR HE2 . 30925 1 340 . 1 . 1 32 32 TYR C C 13 177.000 0.06 . . . . . . A 32 TYR C . 30925 1 341 . 1 . 1 32 32 TYR CA C 13 60.620 0.06 . . . . . . A 32 TYR CA . 30925 1 342 . 1 . 1 32 32 TYR CB C 13 38.623 0.04 . . . . . . A 32 TYR CB . 30925 1 343 . 1 . 1 32 32 TYR N N 15 114.656 0.02 . . . . . . A 32 TYR N . 30925 1 344 . 1 . 1 33 33 ALA H H 1 8.615 0.00 . . . . . . A 33 ALA H . 30925 1 345 . 1 . 1 33 33 ALA HA H 1 3.869 0.00 . . . . . . A 33 ALA HA . 30925 1 346 . 1 . 1 33 33 ALA HB1 H 1 1.221 0.00 . . . . . . A 33 ALA HB1 . 30925 1 347 . 1 . 1 33 33 ALA HB2 H 1 1.221 0.00 . . . . . . A 33 ALA HB2 . 30925 1 348 . 1 . 1 33 33 ALA HB3 H 1 1.221 0.00 . . . . . . A 33 ALA HB3 . 30925 1 349 . 1 . 1 33 33 ALA C C 13 178.928 0.03 . . . . . . A 33 ALA C . 30925 1 350 . 1 . 1 33 33 ALA CA C 13 55.129 0.03 . . . . . . A 33 ALA CA . 30925 1 351 . 1 . 1 33 33 ALA CB C 13 18.610 0.01 . . . . . . A 33 ALA CB . 30925 1 352 . 1 . 1 33 33 ALA N N 15 123.602 0.01 . . . . . . A 33 ALA N . 30925 1 353 . 1 . 1 34 34 LEU H H 1 8.520 0.03 . . . . . . A 34 LEU H . 30925 1 354 . 1 . 1 34 34 LEU HA H 1 4.095 0.03 . . . . . . A 34 LEU HA . 30925 1 355 . 1 . 1 34 34 LEU HB2 H 1 1.375 0.05 . . . . . . A 34 LEU HB2 . 30925 1 356 . 1 . 1 34 34 LEU HB3 H 1 1.334 0.02 . . . . . . A 34 LEU HB3 . 30925 1 357 . 1 . 1 34 34 LEU HG H 1 1.327 0.01 . . . . . . A 34 LEU HG . 30925 1 358 . 1 . 1 34 34 LEU HD11 H 1 0.640 0.00 . . . . . . A 34 LEU HD11 . 30925 1 359 . 1 . 1 34 34 LEU HD12 H 1 0.640 0.00 . . . . . . A 34 LEU HD12 . 30925 1 360 . 1 . 1 34 34 LEU HD13 H 1 0.640 0.00 . . . . . . A 34 LEU HD13 . 30925 1 361 . 1 . 1 34 34 LEU HD21 H 1 0.361 0.00 . . . . . . A 34 LEU HD21 . 30925 1 362 . 1 . 1 34 34 LEU HD22 H 1 0.361 0.00 . . . . . . A 34 LEU HD22 . 30925 1 363 . 1 . 1 34 34 LEU HD23 H 1 0.361 0.00 . . . . . . A 34 LEU HD23 . 30925 1 364 . 1 . 1 34 34 LEU C C 13 178.926 0.11 . . . . . . A 34 LEU C . 30925 1 365 . 1 . 1 34 34 LEU CA C 13 57.483 0.11 . . . . . . A 34 LEU CA . 30925 1 366 . 1 . 1 34 34 LEU CB C 13 41.884 0.04 . . . . . . A 34 LEU CB . 30925 1 367 . 1 . 1 34 34 LEU CG C 13 27.784 0.05 . . . . . . A 34 LEU CG . 30925 1 368 . 1 . 1 34 34 LEU CD1 C 13 30.026 11.21 . . . . . . A 34 LEU CD1 . 30925 1 369 . 1 . 1 34 34 LEU CD2 C 13 23.989 0.02 . . . . . . A 34 LEU CD2 . 30925 1 370 . 1 . 1 34 34 LEU N N 15 117.398 0.02 . . . . . . A 34 LEU N . 30925 1 371 . 1 . 1 35 35 SER H H 1 7.101 0.00 . . . . . . A 35 SER H . 30925 1 372 . 1 . 1 35 35 SER HA H 1 4.161 0.00 . . . . . . A 35 SER HA . 30925 1 373 . 1 . 1 35 35 SER C C 13 176.742 0.11 . . . . . . A 35 SER C . 30925 1 374 . 1 . 1 35 35 SER CA C 13 61.851 0.11 . . . . . . A 35 SER CA . 30925 1 375 . 1 . 1 35 35 SER CB C 13 62.921 0.11 . . . . . . A 35 SER CB . 30925 1 376 . 1 . 1 35 35 SER N N 15 118.093 0.00 . . . . . . A 35 SER N . 30925 1 377 . 1 . 1 36 36 LEU H H 1 8.229 0.01 . . . . . . A 36 LEU H . 30925 1 378 . 1 . 1 36 36 LEU HA H 1 4.208 0.06 . . . . . . A 36 LEU HA . 30925 1 379 . 1 . 1 36 36 LEU HB2 H 1 2.203 0.05 . . . . . . A 36 LEU HB2 . 30925 1 380 . 1 . 1 36 36 LEU HB3 H 1 1.931 0.20 . . . . . . A 36 LEU HB3 . 30925 1 381 . 1 . 1 36 36 LEU HG H 1 1.224 0.33 . . . . . . A 36 LEU HG . 30925 1 382 . 1 . 1 36 36 LEU HD11 H 1 1.056 0.08 . . . . . . A 36 LEU HD11 . 30925 1 383 . 1 . 1 36 36 LEU HD12 H 1 1.056 0.08 . . . . . . A 36 LEU HD12 . 30925 1 384 . 1 . 1 36 36 LEU HD13 H 1 1.056 0.08 . . . . . . A 36 LEU HD13 . 30925 1 385 . 1 . 1 36 36 LEU HD21 H 1 0.930 0.03 . . . . . . A 36 LEU HD21 . 30925 1 386 . 1 . 1 36 36 LEU HD22 H 1 0.930 0.03 . . . . . . A 36 LEU HD22 . 30925 1 387 . 1 . 1 36 36 LEU HD23 H 1 0.930 0.03 . . . . . . A 36 LEU HD23 . 30925 1 388 . 1 . 1 36 36 LEU C C 13 179.737 17.31 . . . . . . A 36 LEU C . 30925 1 389 . 1 . 1 36 36 LEU CA C 13 58.418 17.31 . . . . . . A 36 LEU CA . 30925 1 390 . 1 . 1 36 36 LEU CB C 13 41.209 0.00 . . . . . . A 36 LEU CB . 30925 1 391 . 1 . 1 36 36 LEU CG C 13 27.097 0.08 . . . . . . A 36 LEU CG . 30925 1 392 . 1 . 1 36 36 LEU CD1 C 13 24.113 0.05 . . . . . . A 36 LEU CD1 . 30925 1 393 . 1 . 1 36 36 LEU CD2 C 13 16.225 10.70 . . . . . . A 36 LEU CD2 . 30925 1 394 . 1 . 1 36 36 LEU N N 15 125.349 0.00 . . . . . . A 36 LEU N . 30925 1 395 . 1 . 1 37 37 TYR H H 1 9.024 0.01 . . . . . . A 37 TYR H . 30925 1 396 . 1 . 1 37 37 TYR HA H 1 4.580 0.01 . . . . . . A 37 TYR HA . 30925 1 397 . 1 . 1 37 37 TYR HB2 H 1 3.410 0.01 . . . . . . A 37 TYR HB2 . 30925 1 398 . 1 . 1 37 37 TYR HB3 H 1 3.033 0.01 . . . . . . A 37 TYR HB3 . 30925 1 399 . 1 . 1 37 37 TYR HD1 H 1 6.946 0.00 . . . . . . A 37 TYR HD1 . 30925 1 400 . 1 . 1 37 37 TYR C C 13 179.231 11.95 . . . . . . A 37 TYR C . 30925 1 401 . 1 . 1 37 37 TYR CA C 13 55.341 11.95 . . . . . . A 37 TYR CA . 30925 1 402 . 1 . 1 37 37 TYR CB C 13 38.624 0.00 . . . . . . A 37 TYR CB . 30925 1 403 . 1 . 1 37 37 TYR N N 15 120.480 0.02 . . . . . . A 37 TYR N . 30925 1 404 . 1 . 1 38 38 GLN H H 1 8.464 0.00 . . . . . . A 38 GLN H . 30925 1 405 . 1 . 1 38 38 GLN HA H 1 3.774 0.00 . . . . . . A 38 GLN HA . 30925 1 406 . 1 . 1 38 38 GLN HB2 H 1 2.080 0.00 . . . . . . A 38 GLN HB2 . 30925 1 407 . 1 . 1 38 38 GLN HB3 H 1 2.080 0.00 . . . . . . A 38 GLN HB3 . 30925 1 408 . 1 . 1 38 38 GLN HG2 H 1 2.181 0.00 . . . . . . A 38 GLN HG2 . 30925 1 409 . 1 . 1 38 38 GLN HG3 H 1 2.184 0.00 . . . . . . A 38 GLN HG3 . 30925 1 410 . 1 . 1 38 38 GLN HE21 H 1 7.175 0.50 . . . . . . A 38 GLN HE21 . 30925 1 411 . 1 . 1 38 38 GLN HE22 H 1 7.175 0.50 . . . . . . A 38 GLN HE22 . 30925 1 412 . 1 . 1 38 38 GLN C C 13 176.824 11.95 . . . . . . A 38 GLN C . 30925 1 413 . 1 . 1 38 38 GLN CA C 13 58.375 11.95 . . . . . . A 38 GLN CA . 30925 1 414 . 1 . 1 38 38 GLN CB C 13 28.098 11.95 . . . . . . A 38 GLN CB . 30925 1 415 . 1 . 1 38 38 GLN N N 15 116.794 0.01 . . . . . . A 38 GLN N . 30925 1 416 . 1 . 1 38 38 GLN NE2 N 15 108.120 0.00 . . . . . . A 38 GLN NE2 . 30925 1 417 . 1 . 1 39 39 GLY H H 1 7.947 0.00 . . . . . . A 39 GLY H . 30925 1 418 . 1 . 1 39 39 GLY HA2 H 1 4.133 0.02 . . . . . . A 39 GLY HA2 . 30925 1 419 . 1 . 1 39 39 GLY HA3 H 1 3.941 0.15 . . . . . . A 39 GLY HA3 . 30925 1 420 . 1 . 1 39 39 GLY C C 13 177.241 0.09 . . . . . . A 39 GLY C . 30925 1 421 . 1 . 1 39 39 GLY CA C 13 46.264 0.09 . . . . . . A 39 GLY CA . 30925 1 422 . 1 . 1 39 39 GLY N N 15 106.184 0.00 . . . . . . A 39 GLY N . 30925 1 423 . 1 . 1 40 40 SER H H 1 7.434 0.00 . . . . . . A 40 SER H . 30925 1 424 . 1 . 1 40 40 SER HA H 1 2.702 0.00 . . . . . . A 40 SER HA . 30925 1 425 . 1 . 1 40 40 SER HB2 H 1 4.015 0.00 . . . . . . A 40 SER HB2 . 30925 1 426 . 1 . 1 40 40 SER HB3 H 1 3.676 0.00 . . . . . . A 40 SER HB3 . 30925 1 427 . 1 . 1 40 40 SER C C 13 180.366 0.00 . . . . . . A 40 SER C . 30925 1 428 . 1 . 1 40 40 SER CA C 13 65.084 0.00 . . . . . . A 40 SER CA . 30925 1 429 . 1 . 1 40 40 SER CB C 13 61.375 10.48 . . . . . . A 40 SER CB . 30925 1 430 . 1 . 1 40 40 SER N N 15 113.278 0.02 . . . . . . A 40 SER N . 30925 1 431 . 1 . 1 41 41 SER H H 1 6.978 0.00 . . . . . . A 41 SER H . 30925 1 432 . 1 . 1 41 41 SER HA H 1 4.654 0.00 . . . . . . A 41 SER HA . 30925 1 433 . 1 . 1 41 41 SER HB2 H 1 3.736 0.01 . . . . . . A 41 SER HB2 . 30925 1 434 . 1 . 1 41 41 SER HB3 H 1 3.500 0.01 . . . . . . A 41 SER HB3 . 30925 1 435 . 1 . 1 41 41 SER C C 13 173.541 0.16 . . . . . . A 41 SER C . 30925 1 436 . 1 . 1 41 41 SER CA C 13 57.296 0.16 . . . . . . A 41 SER CA . 30925 1 437 . 1 . 1 41 41 SER CB C 13 66.107 0.01 . . . . . . A 41 SER CB . 30925 1 438 . 1 . 1 41 41 SER N N 15 112.932 0.02 . . . . . . A 41 SER N . 30925 1 439 . 1 . 1 42 42 ILE H H 1 9.003 0.00 . . . . . . A 42 ILE H . 30925 1 440 . 1 . 1 42 42 ILE HA H 1 4.674 0.00 . . . . . . A 42 ILE HA . 30925 1 441 . 1 . 1 42 42 ILE HB H 1 2.244 0.00 . . . . . . A 42 ILE HB . 30925 1 442 . 1 . 1 42 42 ILE HG12 H 1 1.700 0.02 . . . . . . A 42 ILE HG12 . 30925 1 443 . 1 . 1 42 42 ILE HG13 H 1 1.465 0.02 . . . . . . A 42 ILE HG13 . 30925 1 444 . 1 . 1 42 42 ILE HG21 H 1 1.085 0.01 . . . . . . A 42 ILE HG21 . 30925 1 445 . 1 . 1 42 42 ILE HG22 H 1 1.085 0.01 . . . . . . A 42 ILE HG22 . 30925 1 446 . 1 . 1 42 42 ILE HG23 H 1 1.085 0.01 . . . . . . A 42 ILE HG23 . 30925 1 447 . 1 . 1 42 42 ILE HD11 H 1 1.177 0.28 . . . . . . A 42 ILE HD11 . 30925 1 448 . 1 . 1 42 42 ILE HD12 H 1 1.177 0.28 . . . . . . A 42 ILE HD12 . 30925 1 449 . 1 . 1 42 42 ILE HD13 H 1 1.177 0.28 . . . . . . A 42 ILE HD13 . 30925 1 450 . 1 . 1 42 42 ILE C C 13 171.295 0.08 . . . . . . A 42 ILE C . 30925 1 451 . 1 . 1 42 42 ILE CA C 13 60.303 0.08 . . . . . . A 42 ILE CA . 30925 1 452 . 1 . 1 42 42 ILE CB C 13 41.761 0.07 . . . . . . A 42 ILE CB . 30925 1 453 . 1 . 1 42 42 ILE CG1 C 13 29.257 0.04 . . . . . . A 42 ILE CG1 . 30925 1 454 . 1 . 1 42 42 ILE CG2 C 13 17.505 0.02 . . . . . . A 42 ILE CG2 . 30925 1 455 . 1 . 1 42 42 ILE CD1 C 13 14.863 0.00 . . . . . . A 42 ILE CD1 . 30925 1 456 . 1 . 1 42 42 ILE N N 15 120.303 0.11 . . . . . . A 42 ILE N . 30925 1 457 . 1 . 1 43 43 GLU H H 1 7.645 0.05 . . . . . . A 43 GLU H . 30925 1 458 . 1 . 1 43 43 GLU HA H 1 5.089 0.01 . . . . . . A 43 GLU HA . 30925 1 459 . 1 . 1 43 43 GLU HB2 H 1 2.127 0.00 . . . . . . A 43 GLU HB2 . 30925 1 460 . 1 . 1 43 43 GLU HB3 H 1 1.999 0.01 . . . . . . A 43 GLU HB3 . 30925 1 461 . 1 . 1 43 43 GLU HG2 H 1 2.324 0.02 . . . . . . A 43 GLU HG2 . 30925 1 462 . 1 . 1 43 43 GLU HG3 H 1 2.324 0.02 . . . . . . A 43 GLU HG3 . 30925 1 463 . 1 . 1 43 43 GLU C C 13 175.025 0.03 . . . . . . A 43 GLU C . 30925 1 464 . 1 . 1 43 43 GLU CA C 13 54.430 0.03 . . . . . . A 43 GLU CA . 30925 1 465 . 1 . 1 43 43 GLU CB C 13 31.945 0.00 . . . . . . A 43 GLU CB . 30925 1 466 . 1 . 1 43 43 GLU CG C 13 36.387 0.00 . . . . . . A 43 GLU CG . 30925 1 467 . 1 . 1 43 43 GLU N N 15 124.129 0.02 . . . . . . A 43 GLU N . 30925 1 468 . 1 . 1 44 44 GLY H H 1 7.030 0.02 . . . . . . A 44 GLY H . 30925 1 469 . 1 . 1 44 44 GLY HA2 H 1 4.280 0.00 . . . . . . A 44 GLY HA2 . 30925 1 470 . 1 . 1 44 44 GLY HA3 H 1 3.250 0.01 . . . . . . A 44 GLY HA3 . 30925 1 471 . 1 . 1 44 44 GLY C C 13 172.981 0.06 . . . . . . A 44 GLY C . 30925 1 472 . 1 . 1 44 44 GLY CA C 13 44.958 0.06 . . . . . . A 44 GLY CA . 30925 1 473 . 1 . 1 44 44 GLY N N 15 108.901 0.01 . . . . . . A 44 GLY N . 30925 1 474 . 1 . 1 45 45 SER H H 1 8.361 0.00 . . . . . . A 45 SER H . 30925 1 475 . 1 . 1 45 45 SER HA H 1 4.853 0.02 . . . . . . A 45 SER HA . 30925 1 476 . 1 . 1 45 45 SER HB2 H 1 3.684 0.00 . . . . . . A 45 SER HB2 . 30925 1 477 . 1 . 1 45 45 SER HB3 H 1 3.590 0.01 . . . . . . A 45 SER HB3 . 30925 1 478 . 1 . 1 45 45 SER C C 13 172.214 0.08 . . . . . . A 45 SER C . 30925 1 479 . 1 . 1 45 45 SER CA C 13 57.103 0.08 . . . . . . A 45 SER CA . 30925 1 480 . 1 . 1 45 45 SER CB C 13 61.876 9.47 . . . . . . A 45 SER CB . 30925 1 481 . 1 . 1 45 45 SER N N 15 115.846 0.01 . . . . . . A 45 SER N . 30925 1 482 . 1 . 1 46 46 ARG H H 1 9.705 0.01 . . . . . . A 46 ARG H . 30925 1 483 . 1 . 1 46 46 ARG HA H 1 5.193 0.00 . . . . . . A 46 ARG HA . 30925 1 484 . 1 . 1 46 46 ARG HB2 H 1 2.086 0.00 . . . . . . A 46 ARG HB2 . 30925 1 485 . 1 . 1 46 46 ARG HB3 H 1 1.767 0.00 . . . . . . A 46 ARG HB3 . 30925 1 486 . 1 . 1 46 46 ARG HG2 H 1 1.449 0.01 . . . . . . A 46 ARG HG2 . 30925 1 487 . 1 . 1 46 46 ARG HG3 H 1 1.447 0.01 . . . . . . A 46 ARG HG3 . 30925 1 488 . 1 . 1 46 46 ARG HD2 H 1 2.512 0.01 . . . . . . A 46 ARG HD2 . 30925 1 489 . 1 . 1 46 46 ARG HD3 H 1 2.413 0.04 . . . . . . A 46 ARG HD3 . 30925 1 490 . 1 . 1 46 46 ARG C C 13 175.741 0.05 . . . . . . A 46 ARG C . 30925 1 491 . 1 . 1 46 46 ARG CA C 13 54.715 0.05 . . . . . . A 46 ARG CA . 30925 1 492 . 1 . 1 46 46 ARG CB C 13 31.994 0.00 . . . . . . A 46 ARG CB . 30925 1 493 . 1 . 1 46 46 ARG CG C 13 27.048 0.00 . . . . . . A 46 ARG CG . 30925 1 494 . 1 . 1 46 46 ARG CD C 13 43.930 0.03 . . . . . . A 46 ARG CD . 30925 1 495 . 1 . 1 46 46 ARG N N 15 126.948 0.02 . . . . . . A 46 ARG N . 30925 1 496 . 1 . 1 47 47 ALA H H 1 8.590 0.02 . . . . . . A 47 ALA H . 30925 1 497 . 1 . 1 47 47 ALA HA H 1 4.154 0.76 . . . . . . A 47 ALA HA . 30925 1 498 . 1 . 1 47 47 ALA HB1 H 1 1.377 0.06 . . . . . . A 47 ALA HB1 . 30925 1 499 . 1 . 1 47 47 ALA HB2 H 1 1.377 0.06 . . . . . . A 47 ALA HB2 . 30925 1 500 . 1 . 1 47 47 ALA HB3 H 1 1.377 0.06 . . . . . . A 47 ALA HB3 . 30925 1 501 . 1 . 1 47 47 ALA C C 13 177.003 1.04 . . . . . . A 47 ALA C . 30925 1 502 . 1 . 1 47 47 ALA CA C 13 51.882 1.04 . . . . . . A 47 ALA CA . 30925 1 503 . 1 . 1 47 47 ALA CB C 13 18.644 0.10 . . . . . . A 47 ALA CB . 30925 1 504 . 1 . 1 47 47 ALA N N 15 130.821 0.01 . . . . . . A 47 ALA N . 30925 1 505 . 1 . 1 48 48 VAL H H 1 8.271 0.00 . . . . . . A 48 VAL H . 30925 1 506 . 1 . 1 48 48 VAL HA H 1 4.113 0.01 . . . . . . A 48 VAL HA . 30925 1 507 . 1 . 1 48 48 VAL HB H 1 1.845 0.00 . . . . . . A 48 VAL HB . 30925 1 508 . 1 . 1 48 48 VAL HG11 H 1 0.767 0.01 . . . . . . A 48 VAL HG11 . 30925 1 509 . 1 . 1 48 48 VAL HG12 H 1 0.767 0.01 . . . . . . A 48 VAL HG12 . 30925 1 510 . 1 . 1 48 48 VAL HG13 H 1 0.767 0.01 . . . . . . A 48 VAL HG13 . 30925 1 511 . 1 . 1 48 48 VAL HG21 H 1 0.787 0.01 . . . . . . A 48 VAL HG21 . 30925 1 512 . 1 . 1 48 48 VAL HG22 H 1 0.787 0.01 . . . . . . A 48 VAL HG22 . 30925 1 513 . 1 . 1 48 48 VAL HG23 H 1 0.787 0.01 . . . . . . A 48 VAL HG23 . 30925 1 514 . 1 . 1 48 48 VAL C C 13 176.057 0.06 . . . . . . A 48 VAL C . 30925 1 515 . 1 . 1 48 48 VAL CA C 13 61.158 0.06 . . . . . . A 48 VAL CA . 30925 1 516 . 1 . 1 48 48 VAL CB C 13 34.148 0.02 . . . . . . A 48 VAL CB . 30925 1 517 . 1 . 1 48 48 VAL CG1 C 13 20.687 0.00 . . . . . . A 48 VAL CG1 . 30925 1 518 . 1 . 1 48 48 VAL CG2 C 13 20.106 0.00 . . . . . . A 48 VAL CG2 . 30925 1 519 . 1 . 1 48 48 VAL N N 15 122.568 0.00 . . . . . . A 48 VAL N . 30925 1 520 . 1 . 1 49 49 GLU H H 1 8.754 0.00 . . . . . . A 49 GLU H . 30925 1 521 . 1 . 1 49 49 GLU HA H 1 4.121 0.00 . . . . . . A 49 GLU HA . 30925 1 522 . 1 . 1 49 49 GLU HB2 H 1 1.981 0.00 . . . . . . A 49 GLU HB2 . 30925 1 523 . 1 . 1 49 49 GLU HB3 H 1 1.980 0.00 . . . . . . A 49 GLU HB3 . 30925 1 524 . 1 . 1 49 49 GLU HG2 H 1 2.270 0.01 . . . . . . A 49 GLU HG2 . 30925 1 525 . 1 . 1 49 49 GLU HG3 H 1 2.270 0.00 . . . . . . A 49 GLU HG3 . 30925 1 526 . 1 . 1 49 49 GLU C C 13 177.845 0.04 . . . . . . A 49 GLU C . 30925 1 527 . 1 . 1 49 49 GLU CA C 13 57.790 0.04 . . . . . . A 49 GLU CA . 30925 1 528 . 1 . 1 49 49 GLU CB C 13 28.982 0.12 . . . . . . A 49 GLU CB . 30925 1 529 . 1 . 1 49 49 GLU CG C 13 35.921 0.04 . . . . . . A 49 GLU CG . 30925 1 530 . 1 . 1 49 49 GLU N N 15 127.026 0.01 . . . . . . A 49 GLU N . 30925 1 531 . 1 . 1 50 50 GLY H H 1 8.947 0.00 . . . . . . A 50 GLY H . 30925 1 532 . 1 . 1 50 50 GLY HA2 H 1 4.119 0.00 . . . . . . A 50 GLY HA2 . 30925 1 533 . 1 . 1 50 50 GLY HA3 H 1 3.841 0.02 . . . . . . A 50 GLY HA3 . 30925 1 534 . 1 . 1 50 50 GLY C C 13 174.232 0.04 . . . . . . A 50 GLY C . 30925 1 535 . 1 . 1 50 50 GLY CA C 13 45.650 0.04 . . . . . . A 50 GLY CA . 30925 1 536 . 1 . 1 50 50 GLY N N 15 114.079 0.00 . . . . . . A 50 GLY N . 30925 1 537 . 1 . 1 51 51 GLY H H 1 7.823 0.00 . . . . . . A 51 GLY H . 30925 1 538 . 1 . 1 51 51 GLY HA2 H 1 4.470 0.00 . . . . . . A 51 GLY HA2 . 30925 1 539 . 1 . 1 51 51 GLY HA3 H 1 3.672 0.01 . . . . . . A 51 GLY HA3 . 30925 1 540 . 1 . 1 51 51 GLY C C 13 172.234 0.06 . . . . . . A 51 GLY C . 30925 1 541 . 1 . 1 51 51 GLY CA C 13 44.162 0.06 . . . . . . A 51 GLY CA . 30925 1 542 . 1 . 1 51 51 GLY N N 15 107.471 0.01 . . . . . . A 51 GLY N . 30925 1 543 . 1 . 1 52 52 ALA H H 1 8.242 0.00 . . . . . . A 52 ALA H . 30925 1 544 . 1 . 1 52 52 ALA HB1 H 1 1.400 0.00 . . . . . . A 52 ALA HB1 . 30925 1 545 . 1 . 1 52 52 ALA HB2 H 1 1.400 0.00 . . . . . . A 52 ALA HB2 . 30925 1 546 . 1 . 1 52 52 ALA HB3 H 1 1.400 0.00 . . . . . . A 52 ALA HB3 . 30925 1 547 . 1 . 1 52 52 ALA C C 13 174.898 0.00 . . . . . . A 52 ALA C . 30925 1 548 . 1 . 1 52 52 ALA CA C 13 50.093 0.00 . . . . . . A 52 ALA CA . 30925 1 549 . 1 . 1 52 52 ALA CB C 13 18.175 0.00 . . . . . . A 52 ALA CB . 30925 1 550 . 1 . 1 52 52 ALA N N 15 124.998 0.01 . . . . . . A 52 ALA N . 30925 1 551 . 1 . 1 53 53 PRO HA H 1 4.862 0.00 . . . . . . A 53 PRO HA . 30925 1 552 . 1 . 1 53 53 PRO HB2 H 1 2.166 0.00 . . . . . . A 53 PRO HB2 . 30925 1 553 . 1 . 1 53 53 PRO HB3 H 1 2.064 0.00 . . . . . . A 53 PRO HB3 . 30925 1 554 . 1 . 1 53 53 PRO HG2 H 1 1.800 0.00 . . . . . . A 53 PRO HG2 . 30925 1 555 . 1 . 1 53 53 PRO HG3 H 1 1.798 0.00 . . . . . . A 53 PRO HG3 . 30925 1 556 . 1 . 1 53 53 PRO HD2 H 1 3.897 0.00 . . . . . . A 53 PRO HD2 . 30925 1 557 . 1 . 1 53 53 PRO HD3 H 1 3.695 0.00 . . . . . . A 53 PRO HD3 . 30925 1 558 . 1 . 1 53 53 PRO C C 13 177.104 0.00 . . . . . . A 53 PRO C . 30925 1 559 . 1 . 1 53 53 PRO CA C 13 62.687 0.00 . . . . . . A 53 PRO CA . 30925 1 560 . 1 . 1 53 53 PRO CB C 13 32.434 0.00 . . . . . . A 53 PRO CB . 30925 1 561 . 1 . 1 53 53 PRO CG C 13 27.303 0.00 . . . . . . A 53 PRO CG . 30925 1 562 . 1 . 1 53 53 PRO CD C 13 49.982 0.00 . . . . . . A 53 PRO CD . 30925 1 563 . 1 . 1 54 54 ILE H H 1 8.752 0.00 . . . . . . A 54 ILE H . 30925 1 564 . 1 . 1 54 54 ILE HA H 1 4.626 0.00 . . . . . . A 54 ILE HA . 30925 1 565 . 1 . 1 54 54 ILE HB H 1 1.867 0.00 . . . . . . A 54 ILE HB . 30925 1 566 . 1 . 1 54 54 ILE HG12 H 1 1.471 0.29 . . . . . . A 54 ILE HG12 . 30925 1 567 . 1 . 1 54 54 ILE HG13 H 1 1.181 0.05 . . . . . . A 54 ILE HG13 . 30925 1 568 . 1 . 1 54 54 ILE HG21 H 1 1.069 0.19 . . . . . . A 54 ILE HG21 . 30925 1 569 . 1 . 1 54 54 ILE HG22 H 1 1.069 0.19 . . . . . . A 54 ILE HG22 . 30925 1 570 . 1 . 1 54 54 ILE HG23 H 1 1.069 0.19 . . . . . . A 54 ILE HG23 . 30925 1 571 . 1 . 1 54 54 ILE HD11 H 1 0.759 0.00 . . . . . . A 54 ILE HD11 . 30925 1 572 . 1 . 1 54 54 ILE HD12 H 1 0.759 0.00 . . . . . . A 54 ILE HD12 . 30925 1 573 . 1 . 1 54 54 ILE HD13 H 1 0.759 0.00 . . . . . . A 54 ILE HD13 . 30925 1 574 . 1 . 1 54 54 ILE C C 13 175.996 0.07 . . . . . . A 54 ILE C . 30925 1 575 . 1 . 1 54 54 ILE CA C 13 59.898 0.07 . . . . . . A 54 ILE CA . 30925 1 576 . 1 . 1 54 54 ILE CB C 13 40.917 0.05 . . . . . . A 54 ILE CB . 30925 1 577 . 1 . 1 54 54 ILE CG1 C 13 26.989 0.01 . . . . . . A 54 ILE CG1 . 30925 1 578 . 1 . 1 54 54 ILE CG2 C 13 17.979 0.00 . . . . . . A 54 ILE CG2 . 30925 1 579 . 1 . 1 54 54 ILE CD1 C 13 13.310 0.01 . . . . . . A 54 ILE CD1 . 30925 1 580 . 1 . 1 54 54 ILE N N 15 122.179 0.01 . . . . . . A 54 ILE N . 30925 1 581 . 1 . 1 55 55 SER H H 1 9.108 0.00 . . . . . . A 55 SER H . 30925 1 582 . 1 . 1 55 55 SER HA H 1 4.921 0.00 . . . . . . A 55 SER HA . 30925 1 583 . 1 . 1 55 55 SER HB2 H 1 4.159 0.01 . . . . . . A 55 SER HB2 . 30925 1 584 . 1 . 1 55 55 SER HB3 H 1 4.101 0.01 . . . . . . A 55 SER HB3 . 30925 1 585 . 1 . 1 55 55 SER C C 13 173.996 10.47 . . . . . . A 55 SER C . 30925 1 586 . 1 . 1 55 55 SER CA C 13 55.012 10.47 . . . . . . A 55 SER CA . 30925 1 587 . 1 . 1 55 55 SER CB C 13 64.516 0.06 . . . . . . A 55 SER CB . 30925 1 588 . 1 . 1 55 55 SER N N 15 124.942 0.00 . . . . . . A 55 SER N . 30925 1 589 . 1 . 1 56 56 PHE H H 1 8.498 0.00 . . . . . . A 56 PHE H . 30925 1 590 . 1 . 1 56 56 PHE HA H 1 5.885 0.00 . . . . . . A 56 PHE HA . 30925 1 591 . 1 . 1 56 56 PHE HB2 H 1 3.027 0.03 . . . . . . A 56 PHE HB2 . 30925 1 592 . 1 . 1 56 56 PHE HB3 H 1 2.703 0.00 . . . . . . A 56 PHE HB3 . 30925 1 593 . 1 . 1 56 56 PHE HD1 H 1 7.246 0.14 . . . . . . A 56 PHE HD1 . 30925 1 594 . 1 . 1 56 56 PHE HD2 H 1 7.450 0.00 . . . . . . A 56 PHE HD2 . 30925 1 595 . 1 . 1 56 56 PHE C C 13 174.135 0.09 . . . . . . A 56 PHE C . 30925 1 596 . 1 . 1 56 56 PHE CA C 13 56.812 0.09 . . . . . . A 56 PHE CA . 30925 1 597 . 1 . 1 56 56 PHE CB C 13 43.863 0.10 . . . . . . A 56 PHE CB . 30925 1 598 . 1 . 1 56 56 PHE N N 15 117.055 0.01 . . . . . . A 56 PHE N . 30925 1 599 . 1 . 1 57 57 VAL H H 1 8.413 0.00 . . . . . . A 57 VAL H . 30925 1 600 . 1 . 1 57 57 VAL HA H 1 4.702 0.01 . . . . . . A 57 VAL HA . 30925 1 601 . 1 . 1 57 57 VAL HB H 1 2.126 0.00 . . . . . . A 57 VAL HB . 30925 1 602 . 1 . 1 57 57 VAL HG11 H 1 0.944 0.20 . . . . . . A 57 VAL HG11 . 30925 1 603 . 1 . 1 57 57 VAL HG12 H 1 0.944 0.20 . . . . . . A 57 VAL HG12 . 30925 1 604 . 1 . 1 57 57 VAL HG13 H 1 0.944 0.20 . . . . . . A 57 VAL HG13 . 30925 1 605 . 1 . 1 57 57 VAL HG21 H 1 1.072 0.53 . . . . . . A 57 VAL HG21 . 30925 1 606 . 1 . 1 57 57 VAL HG22 H 1 1.072 0.53 . . . . . . A 57 VAL HG22 . 30925 1 607 . 1 . 1 57 57 VAL HG23 H 1 1.072 0.53 . . . . . . A 57 VAL HG23 . 30925 1 608 . 1 . 1 57 57 VAL C C 13 175.087 0.00 . . . . . . A 57 VAL C . 30925 1 609 . 1 . 1 57 57 VAL CA C 13 62.513 0.00 . . . . . . A 57 VAL CA . 30925 1 610 . 1 . 1 57 57 VAL CB C 13 35.129 0.00 . . . . . . A 57 VAL CB . 30925 1 611 . 1 . 1 57 57 VAL CG2 C 13 20.585 0.01 . . . . . . A 57 VAL CG2 . 30925 1 612 . 1 . 1 57 57 VAL N N 15 118.928 0.02 . . . . . . A 57 VAL N . 30925 1 613 . 1 . 1 58 58 ALA H H 1 9.587 0.00 . . . . . . A 58 ALA H . 30925 1 614 . 1 . 1 58 58 ALA HA H 1 6.166 0.04 . . . . . . A 58 ALA HA . 30925 1 615 . 1 . 1 58 58 ALA HB1 H 1 1.984 0.01 . . . . . . A 58 ALA HB1 . 30925 1 616 . 1 . 1 58 58 ALA HB2 H 1 1.984 0.01 . . . . . . A 58 ALA HB2 . 30925 1 617 . 1 . 1 58 58 ALA HB3 H 1 1.984 0.01 . . . . . . A 58 ALA HB3 . 30925 1 618 . 1 . 1 58 58 ALA C C 13 175.462 0.03 . . . . . . A 58 ALA C . 30925 1 619 . 1 . 1 58 58 ALA CA C 13 50.108 0.03 . . . . . . A 58 ALA CA . 30925 1 620 . 1 . 1 58 58 ALA CB C 13 22.133 0.03 . . . . . . A 58 ALA CB . 30925 1 621 . 1 . 1 58 58 ALA N N 15 132.880 0.00 . . . . . . A 58 ALA N . 30925 1 622 . 1 . 1 59 59 THR H H 1 5.173 4.50 . . . . . . A 59 THR H . 30925 1 623 . 1 . 1 59 59 THR HA H 1 4.992 0.00 . . . . . . A 59 THR HA . 30925 1 624 . 1 . 1 59 59 THR HB H 1 4.085 0.00 . . . . . . A 59 THR HB . 30925 1 625 . 1 . 1 59 59 THR HG21 H 1 1.173 0.00 . . . . . . A 59 THR HG21 . 30925 1 626 . 1 . 1 59 59 THR HG22 H 1 1.173 0.00 . . . . . . A 59 THR HG22 . 30925 1 627 . 1 . 1 59 59 THR HG23 H 1 1.173 0.00 . . . . . . A 59 THR HG23 . 30925 1 628 . 1 . 1 59 59 THR C C 13 172.961 0.00 . . . . . . A 59 THR C . 30925 1 629 . 1 . 1 59 59 THR CA C 13 60.073 0.00 . . . . . . A 59 THR CA . 30925 1 630 . 1 . 1 59 59 THR CB C 13 71.760 0.00 . . . . . . A 59 THR CB . 30925 1 631 . 1 . 1 59 59 THR CG2 C 13 21.463 0.04 . . . . . . A 59 THR CG2 . 30925 1 632 . 1 . 1 59 59 THR N N 15 115.940 0.00 . . . . . . A 59 THR N . 30925 1 633 . 1 . 1 60 60 TRP H H 1 8.220 0.02 . . . . . . A 60 TRP H . 30925 1 634 . 1 . 1 60 60 TRP HA H 1 6.033 0.01 . . . . . . A 60 TRP HA . 30925 1 635 . 1 . 1 60 60 TRP HB2 H 1 3.393 0.00 . . . . . . A 60 TRP HB2 . 30925 1 636 . 1 . 1 60 60 TRP HB3 H 1 3.262 0.00 . . . . . . A 60 TRP HB3 . 30925 1 637 . 1 . 1 60 60 TRP HD1 H 1 5.720 0.65 . . . . . . A 60 TRP HD1 . 30925 1 638 . 1 . 1 60 60 TRP HE1 H 1 11.234 0.00 . . . . . . A 60 TRP HE1 . 30925 1 639 . 1 . 1 60 60 TRP C C 13 175.365 0.04 . . . . . . A 60 TRP C . 30925 1 640 . 1 . 1 60 60 TRP CA C 13 56.131 0.04 . . . . . . A 60 TRP CA . 30925 1 641 . 1 . 1 60 60 TRP CB C 13 29.942 0.09 . . . . . . A 60 TRP CB . 30925 1 642 . 1 . 1 60 60 TRP N N 15 121.142 0.14 . . . . . . A 60 TRP N . 30925 1 643 . 1 . 1 60 60 TRP NE1 N 15 132.116 0.00 . . . . . . A 60 TRP NE1 . 30925 1 644 . 1 . 1 61 61 THR H H 1 7.603 0.05 . . . . . . A 61 THR H . 30925 1 645 . 1 . 1 61 61 THR HA H 1 4.475 0.04 . . . . . . A 61 THR HA . 30925 1 646 . 1 . 1 61 61 THR HB H 1 4.393 0.00 . . . . . . A 61 THR HB . 30925 1 647 . 1 . 1 61 61 THR HG21 H 1 1.406 0.00 . . . . . . A 61 THR HG21 . 30925 1 648 . 1 . 1 61 61 THR HG22 H 1 1.406 0.00 . . . . . . A 61 THR HG22 . 30925 1 649 . 1 . 1 61 61 THR HG23 H 1 1.406 0.00 . . . . . . A 61 THR HG23 . 30925 1 650 . 1 . 1 61 61 THR C C 13 174.273 14.11 . . . . . . A 61 THR C . 30925 1 651 . 1 . 1 61 61 THR CA C 13 50.295 14.11 . . . . . . A 61 THR CA . 30925 1 652 . 1 . 1 61 61 THR CB C 13 70.419 0.29 . . . . . . A 61 THR CB . 30925 1 653 . 1 . 1 61 61 THR CG2 C 13 23.355 0.07 . . . . . . A 61 THR CG2 . 30925 1 654 . 1 . 1 61 61 THR N N 15 109.989 0.03 . . . . . . A 61 THR N . 30925 1 655 . 1 . 1 62 62 VAL H H 1 8.351 0.00 . . . . . . A 62 VAL H . 30925 1 656 . 1 . 1 62 62 VAL HA H 1 4.573 0.00 . . . . . . A 62 VAL HA . 30925 1 657 . 1 . 1 62 62 VAL HB H 1 1.928 0.02 . . . . . . A 62 VAL HB . 30925 1 658 . 1 . 1 62 62 VAL HG11 H 1 0.943 0.03 . . . . . . A 62 VAL HG11 . 30925 1 659 . 1 . 1 62 62 VAL HG12 H 1 0.943 0.03 . . . . . . A 62 VAL HG12 . 30925 1 660 . 1 . 1 62 62 VAL HG13 H 1 0.943 0.03 . . . . . . A 62 VAL HG13 . 30925 1 661 . 1 . 1 62 62 VAL HG21 H 1 0.724 0.00 . . . . . . A 62 VAL HG21 . 30925 1 662 . 1 . 1 62 62 VAL HG22 H 1 0.724 0.00 . . . . . . A 62 VAL HG22 . 30925 1 663 . 1 . 1 62 62 VAL HG23 H 1 0.724 0.00 . . . . . . A 62 VAL HG23 . 30925 1 664 . 1 . 1 62 62 VAL C C 13 176.668 12.96 . . . . . . A 62 VAL C . 30925 1 665 . 1 . 1 62 62 VAL CA C 13 54.706 12.96 . . . . . . A 62 VAL CA . 30925 1 666 . 1 . 1 62 62 VAL CB C 13 32.683 0.02 . . . . . . A 62 VAL CB . 30925 1 667 . 1 . 1 62 62 VAL CG1 C 13 21.162 0.08 . . . . . . A 62 VAL CG1 . 30925 1 668 . 1 . 1 62 62 VAL CG2 C 13 27.350 12.01 . . . . . . A 62 VAL CG2 . 30925 1 669 . 1 . 1 62 62 VAL N N 15 122.529 0.01 . . . . . . A 62 VAL N . 30925 1 670 . 1 . 1 63 63 THR H H 1 9.688 0.05 . . . . . . A 63 THR H . 30925 1 671 . 1 . 1 63 63 THR HA H 1 4.854 0.04 . . . . . . A 63 THR HA . 30925 1 672 . 1 . 1 63 63 THR HG21 H 1 1.258 0.00 . . . . . . A 63 THR HG21 . 30925 1 673 . 1 . 1 63 63 THR HG22 H 1 1.258 0.00 . . . . . . A 63 THR HG22 . 30925 1 674 . 1 . 1 63 63 THR HG23 H 1 1.258 0.00 . . . . . . A 63 THR HG23 . 30925 1 675 . 1 . 1 63 63 THR C C 13 175.346 14.11 . . . . . . A 63 THR C . 30925 1 676 . 1 . 1 63 63 THR CA C 13 58.455 14.11 . . . . . . A 63 THR CA . 30925 1 677 . 1 . 1 63 63 THR CB C 13 69.521 0.29 . . . . . . A 63 THR CB . 30925 1 678 . 1 . 1 63 63 THR N N 15 123.067 0.03 . . . . . . A 63 THR N . 30925 1 679 . 1 . 1 64 64 PRO HA H 1 4.538 0.00 . . . . . . A 64 PRO HA . 30925 1 680 . 1 . 1 64 64 PRO HB2 H 1 2.433 0.00 . . . . . . A 64 PRO HB2 . 30925 1 681 . 1 . 1 64 64 PRO HB3 H 1 2.276 0.00 . . . . . . A 64 PRO HB3 . 30925 1 682 . 1 . 1 64 64 PRO HG2 H 1 2.060 0.00 . . . . . . A 64 PRO HG2 . 30925 1 683 . 1 . 1 64 64 PRO HG3 H 1 2.063 0.00 . . . . . . A 64 PRO HG3 . 30925 1 684 . 1 . 1 64 64 PRO HD2 H 1 3.781 0.00 . . . . . . A 64 PRO HD2 . 30925 1 685 . 1 . 1 64 64 PRO HD3 H 1 3.781 0.00 . . . . . . A 64 PRO HD3 . 30925 1 686 . 1 . 1 64 64 PRO C C 13 179.355 0.04 . . . . . . A 64 PRO C . 30925 1 687 . 1 . 1 64 64 PRO CA C 13 67.146 0.04 . . . . . . A 64 PRO CA . 30925 1 688 . 1 . 1 64 64 PRO CB C 13 33.260 0.00 . . . . . . A 64 PRO CB . 30925 1 689 . 1 . 1 64 64 PRO CG C 13 27.637 0.00 . . . . . . A 64 PRO CG . 30925 1 690 . 1 . 1 64 64 PRO CD C 13 51.081 0.00 . . . . . . A 64 PRO CD . 30925 1 691 . 1 . 1 65 65 LEU H H 1 8.993 0.00 . . . . . . A 65 LEU H . 30925 1 692 . 1 . 1 65 65 LEU HA H 1 4.936 0.00 . . . . . . A 65 LEU HA . 30925 1 693 . 1 . 1 65 65 LEU HB2 H 1 1.608 0.05 . . . . . . A 65 LEU HB2 . 30925 1 694 . 1 . 1 65 65 LEU HB3 H 1 1.451 0.01 . . . . . . A 65 LEU HB3 . 30925 1 695 . 1 . 1 65 65 LEU HG H 1 1.450 0.05 . . . . . . A 65 LEU HG . 30925 1 696 . 1 . 1 65 65 LEU HD11 H 1 0.822 0.00 . . . . . . A 65 LEU HD11 . 30925 1 697 . 1 . 1 65 65 LEU HD12 H 1 0.822 0.00 . . . . . . A 65 LEU HD12 . 30925 1 698 . 1 . 1 65 65 LEU HD13 H 1 0.822 0.00 . . . . . . A 65 LEU HD13 . 30925 1 699 . 1 . 1 65 65 LEU HD21 H 1 0.827 0.00 . . . . . . A 65 LEU HD21 . 30925 1 700 . 1 . 1 65 65 LEU HD22 H 1 0.827 0.00 . . . . . . A 65 LEU HD22 . 30925 1 701 . 1 . 1 65 65 LEU HD23 H 1 0.827 0.00 . . . . . . A 65 LEU HD23 . 30925 1 702 . 1 . 1 65 65 LEU C C 13 177.471 0.06 . . . . . . A 65 LEU C . 30925 1 703 . 1 . 1 65 65 LEU CA C 13 52.910 0.06 . . . . . . A 65 LEU CA . 30925 1 704 . 1 . 1 65 65 LEU CB C 13 41.032 0.05 . . . . . . A 65 LEU CB . 30925 1 705 . 1 . 1 65 65 LEU N N 15 119.676 0.00 . . . . . . A 65 LEU N . 30925 1 706 . 1 . 1 66 66 PRO C C 13 175.772 0.00 . . . . . . A 66 PRO C . 30925 1 707 . 1 . 1 66 66 PRO CA C 13 64.662 0.00 . . . . . . A 66 PRO CA . 30925 1 708 . 1 . 1 67 67 ALA H H 1 7.447 0.01 . . . . . . A 67 ALA H . 30925 1 709 . 1 . 1 67 67 ALA HA H 1 4.611 0.00 . . . . . . A 67 ALA HA . 30925 1 710 . 1 . 1 67 67 ALA HB1 H 1 1.457 0.05 . . . . . . A 67 ALA HB1 . 30925 1 711 . 1 . 1 67 67 ALA HB2 H 1 1.457 0.05 . . . . . . A 67 ALA HB2 . 30925 1 712 . 1 . 1 67 67 ALA HB3 H 1 1.457 0.05 . . . . . . A 67 ALA HB3 . 30925 1 713 . 1 . 1 67 67 ALA C C 13 179.062 0.23 . . . . . . A 67 ALA C . 30925 1 714 . 1 . 1 67 67 ALA CA C 13 51.415 0.23 . . . . . . A 67 ALA CA . 30925 1 715 . 1 . 1 67 67 ALA CB C 13 18.858 0.04 . . . . . . A 67 ALA CB . 30925 1 716 . 1 . 1 67 67 ALA N N 15 112.370 0.18 . . . . . . A 67 ALA N . 30925 1 717 . 1 . 1 68 68 ASP H H 1 7.616 0.00 . . . . . . A 68 ASP H . 30925 1 718 . 1 . 1 68 68 ASP HA H 1 4.661 0.00 . . . . . . A 68 ASP HA . 30925 1 719 . 1 . 1 68 68 ASP HB2 H 1 3.021 0.00 . . . . . . A 68 ASP HB2 . 30925 1 720 . 1 . 1 68 68 ASP HB3 H 1 2.821 0.00 . . . . . . A 68 ASP HB3 . 30925 1 721 . 1 . 1 68 68 ASP C C 13 173.812 0.00 . . . . . . A 68 ASP C . 30925 1 722 . 1 . 1 68 68 ASP CA C 13 55.093 0.00 . . . . . . A 68 ASP CA . 30925 1 723 . 1 . 1 68 68 ASP CB C 13 41.944 0.00 . . . . . . A 68 ASP CB . 30925 1 724 . 1 . 1 68 68 ASP N N 15 119.587 0.01 . . . . . . A 68 ASP N . 30925 1 725 . 1 . 1 69 69 MET H H 1 8.307 0.00 . . . . . . A 69 MET H . 30925 1 726 . 1 . 1 69 69 MET HA H 1 4.974 0.01 . . . . . . A 69 MET HA . 30925 1 727 . 1 . 1 69 69 MET HB2 H 1 1.908 0.08 . . . . . . A 69 MET HB2 . 30925 1 728 . 1 . 1 69 69 MET HB3 H 1 1.676 0.01 . . . . . . A 69 MET HB3 . 30925 1 729 . 1 . 1 69 69 MET HG2 H 1 2.675 0.00 . . . . . . A 69 MET HG2 . 30925 1 730 . 1 . 1 69 69 MET HG3 H 1 2.569 0.02 . . . . . . A 69 MET HG3 . 30925 1 731 . 1 . 1 69 69 MET C C 13 177.750 0.06 . . . . . . A 69 MET C . 30925 1 732 . 1 . 1 69 69 MET CA C 13 53.529 0.06 . . . . . . A 69 MET CA . 30925 1 733 . 1 . 1 69 69 MET CB C 13 33.704 0.42 . . . . . . A 69 MET CB . 30925 1 734 . 1 . 1 69 69 MET CG C 13 32.791 0.07 . . . . . . A 69 MET CG . 30925 1 735 . 1 . 1 69 69 MET N N 15 113.989 0.05 . . . . . . A 69 MET N . 30925 1 736 . 1 . 1 70 70 THR H H 1 9.198 0.00 . . . . . . A 70 THR H . 30925 1 737 . 1 . 1 70 70 THR HA H 1 4.571 0.03 . . . . . . A 70 THR HA . 30925 1 738 . 1 . 1 70 70 THR HB H 1 4.495 0.00 . . . . . . A 70 THR HB . 30925 1 739 . 1 . 1 70 70 THR HG21 H 1 0.823 0.01 . . . . . . A 70 THR HG21 . 30925 1 740 . 1 . 1 70 70 THR HG22 H 1 0.823 0.01 . . . . . . A 70 THR HG22 . 30925 1 741 . 1 . 1 70 70 THR HG23 H 1 0.823 0.01 . . . . . . A 70 THR HG23 . 30925 1 742 . 1 . 1 70 70 THR C C 13 171.672 0.06 . . . . . . A 70 THR C . 30925 1 743 . 1 . 1 70 70 THR CA C 13 60.755 0.06 . . . . . . A 70 THR CA . 30925 1 744 . 1 . 1 70 70 THR CB C 13 69.611 0.31 . . . . . . A 70 THR CB . 30925 1 745 . 1 . 1 70 70 THR CG2 C 13 26.041 12.49 . . . . . . A 70 THR CG2 . 30925 1 746 . 1 . 1 70 70 THR N N 15 120.378 0.03 . . . . . . A 70 THR N . 30925 1 747 . 1 . 1 71 71 ARG H H 1 8.082 0.00 . . . . . . A 71 ARG H . 30925 1 748 . 1 . 1 71 71 ARG HA H 1 5.006 0.00 . . . . . . A 71 ARG HA . 30925 1 749 . 1 . 1 71 71 ARG HB2 H 1 1.607 0.01 . . . . . . A 71 ARG HB2 . 30925 1 750 . 1 . 1 71 71 ARG HB3 H 1 1.409 0.03 . . . . . . A 71 ARG HB3 . 30925 1 751 . 1 . 1 71 71 ARG HG2 H 1 1.162 0.04 . . . . . . A 71 ARG HG2 . 30925 1 752 . 1 . 1 71 71 ARG HG3 H 1 1.192 0.00 . . . . . . A 71 ARG HG3 . 30925 1 753 . 1 . 1 71 71 ARG HD2 H 1 3.365 0.00 . . . . . . A 71 ARG HD2 . 30925 1 754 . 1 . 1 71 71 ARG HD3 H 1 3.134 0.00 . . . . . . A 71 ARG HD3 . 30925 1 755 . 1 . 1 71 71 ARG C C 13 175.173 0.05 . . . . . . A 71 ARG C . 30925 1 756 . 1 . 1 71 71 ARG CA C 13 54.529 0.05 . . . . . . A 71 ARG CA . 30925 1 757 . 1 . 1 71 71 ARG CB C 13 31.676 0.07 . . . . . . A 71 ARG CB . 30925 1 758 . 1 . 1 71 71 ARG CG C 13 27.455 0.00 . . . . . . A 71 ARG CG . 30925 1 759 . 1 . 1 71 71 ARG CD C 13 43.113 0.00 . . . . . . A 71 ARG CD . 30925 1 760 . 1 . 1 71 71 ARG N N 15 128.207 0.01 . . . . . . A 71 ARG N . 30925 1 761 . 1 . 1 72 72 CYS H H 1 9.338 0.02 . . . . . . A 72 CYS H . 30925 1 762 . 1 . 1 72 72 CYS HA H 1 5.352 0.02 . . . . . . A 72 CYS HA . 30925 1 763 . 1 . 1 72 72 CYS HB2 H 1 2.772 0.00 . . . . . . A 72 CYS HB2 . 30925 1 764 . 1 . 1 72 72 CYS HB3 H 1 2.131 0.03 . . . . . . A 72 CYS HB3 . 30925 1 765 . 1 . 1 72 72 CYS C C 13 172.226 0.06 . . . . . . A 72 CYS C . 30925 1 766 . 1 . 1 72 72 CYS CA C 13 57.313 0.06 . . . . . . A 72 CYS CA . 30925 1 767 . 1 . 1 72 72 CYS N N 15 128.605 0.03 . . . . . . A 72 CYS N . 30925 1 768 . 1 . 1 73 73 HIS H H 1 10.055 0.00 . . . . . . A 73 HIS H . 30925 1 769 . 1 . 1 73 73 HIS HA H 1 5.523 0.00 . . . . . . A 73 HIS HA . 30925 1 770 . 1 . 1 73 73 HIS HB2 H 1 3.414 0.01 . . . . . . A 73 HIS HB2 . 30925 1 771 . 1 . 1 73 73 HIS HB3 H 1 3.149 0.05 . . . . . . A 73 HIS HB3 . 30925 1 772 . 1 . 1 73 73 HIS HD2 H 1 7.301 0.00 . . . . . . A 73 HIS HD2 . 30925 1 773 . 1 . 1 73 73 HIS C C 13 173.765 0.03 . . . . . . A 73 HIS C . 30925 1 774 . 1 . 1 73 73 HIS CA C 13 55.075 0.03 . . . . . . A 73 HIS CA . 30925 1 775 . 1 . 1 73 73 HIS CB C 13 31.764 0.04 . . . . . . A 73 HIS CB . 30925 1 776 . 1 . 1 73 73 HIS N N 15 129.810 0.00 . . . . . . A 73 HIS N . 30925 1 777 . 1 . 1 74 74 LEU H H 1 9.343 0.00 . . . . . . A 74 LEU H . 30925 1 778 . 1 . 1 74 74 LEU HA H 1 5.406 0.00 . . . . . . A 74 LEU HA . 30925 1 779 . 1 . 1 74 74 LEU HB2 H 1 1.481 0.05 . . . . . . A 74 LEU HB2 . 30925 1 780 . 1 . 1 74 74 LEU HB3 H 1 1.448 0.01 . . . . . . A 74 LEU HB3 . 30925 1 781 . 1 . 1 74 74 LEU HG H 1 1.546 0.05 . . . . . . A 74 LEU HG . 30925 1 782 . 1 . 1 74 74 LEU HD11 H 1 0.703 0.00 . . . . . . A 74 LEU HD11 . 30925 1 783 . 1 . 1 74 74 LEU HD12 H 1 0.703 0.00 . . . . . . A 74 LEU HD12 . 30925 1 784 . 1 . 1 74 74 LEU HD13 H 1 0.703 0.00 . . . . . . A 74 LEU HD13 . 30925 1 785 . 1 . 1 74 74 LEU HD21 H 1 0.405 0.00 . . . . . . A 74 LEU HD21 . 30925 1 786 . 1 . 1 74 74 LEU HD22 H 1 0.405 0.00 . . . . . . A 74 LEU HD22 . 30925 1 787 . 1 . 1 74 74 LEU HD23 H 1 0.405 0.00 . . . . . . A 74 LEU HD23 . 30925 1 788 . 1 . 1 74 74 LEU C C 13 174.462 0.06 . . . . . . A 74 LEU C . 30925 1 789 . 1 . 1 74 74 LEU CA C 13 54.509 0.06 . . . . . . A 74 LEU CA . 30925 1 790 . 1 . 1 74 74 LEU CB C 13 46.475 0.05 . . . . . . A 74 LEU CB . 30925 1 791 . 1 . 1 74 74 LEU CG C 13 29.121 1.58 . . . . . . A 74 LEU CG . 30925 1 792 . 1 . 1 74 74 LEU CD1 C 13 25.925 0.25 . . . . . . A 74 LEU CD1 . 30925 1 793 . 1 . 1 74 74 LEU CD2 C 13 25.404 0.02 . . . . . . A 74 LEU CD2 . 30925 1 794 . 1 . 1 74 74 LEU N N 15 127.500 0.00 . . . . . . A 74 LEU N . 30925 1 795 . 1 . 1 75 75 GLN H H 1 8.447 0.00 . . . . . . A 75 GLN H . 30925 1 796 . 1 . 1 75 75 GLN HA H 1 5.473 0.00 . . . . . . A 75 GLN HA . 30925 1 797 . 1 . 1 75 75 GLN HB2 H 1 1.894 0.01 . . . . . . A 75 GLN HB2 . 30925 1 798 . 1 . 1 75 75 GLN HB3 H 1 1.899 0.01 . . . . . . A 75 GLN HB3 . 30925 1 799 . 1 . 1 75 75 GLN HG2 H 1 2.477 0.01 . . . . . . A 75 GLN HG2 . 30925 1 800 . 1 . 1 75 75 GLN HG3 H 1 2.102 0.07 . . . . . . A 75 GLN HG3 . 30925 1 801 . 1 . 1 75 75 GLN HE21 H 1 7.114 0.16 . . . . . . A 75 GLN HE21 . 30925 1 802 . 1 . 1 75 75 GLN HE22 H 1 7.114 0.16 . . . . . . A 75 GLN HE22 . 30925 1 803 . 1 . 1 75 75 GLN CA C 13 54.309 0.04 . . . . . . A 75 GLN CA . 30925 1 804 . 1 . 1 75 75 GLN CG C 13 35.034 0.00 . . . . . . A 75 GLN CG . 30925 1 805 . 1 . 1 75 75 GLN N N 15 121.401 0.03 . . . . . . A 75 GLN N . 30925 1 806 . 1 . 1 75 75 GLN NE2 N 15 110.556 0.00 . . . . . . A 75 GLN NE2 . 30925 1 807 . 1 . 1 76 76 PHE H H 1 9.296 0.00 . . . . . . A 76 PHE H . 30925 1 808 . 1 . 1 76 76 PHE HA H 1 5.717 0.00 . . . . . . A 76 PHE HA . 30925 1 809 . 1 . 1 76 76 PHE HB2 H 1 3.396 0.00 . . . . . . A 76 PHE HB2 . 30925 1 810 . 1 . 1 76 76 PHE HB3 H 1 3.253 0.01 . . . . . . A 76 PHE HB3 . 30925 1 811 . 1 . 1 76 76 PHE HD1 H 1 7.136 0.00 . . . . . . A 76 PHE HD1 . 30925 1 812 . 1 . 1 76 76 PHE HD2 H 1 7.136 0.00 . . . . . . A 76 PHE HD2 . 30925 1 813 . 1 . 1 76 76 PHE C C 13 176.293 0.08 . . . . . . A 76 PHE C . 30925 1 814 . 1 . 1 76 76 PHE CA C 13 57.464 0.08 . . . . . . A 76 PHE CA . 30925 1 815 . 1 . 1 76 76 PHE CB C 13 40.575 0.05 . . . . . . A 76 PHE CB . 30925 1 816 . 1 . 1 76 76 PHE N N 15 128.852 0.02 . . . . . . A 76 PHE N . 30925 1 817 . 1 . 1 77 77 ASN H H 1 9.504 0.00 . . . . . . A 77 ASN H . 30925 1 818 . 1 . 1 77 77 ASN HA H 1 4.591 0.00 . . . . . . A 77 ASN HA . 30925 1 819 . 1 . 1 77 77 ASN HB2 H 1 3.354 0.00 . . . . . . A 77 ASN HB2 . 30925 1 820 . 1 . 1 77 77 ASN HB3 H 1 2.564 0.00 . . . . . . A 77 ASN HB3 . 30925 1 821 . 1 . 1 77 77 ASN HD21 H 1 7.498 0.54 . . . . . . A 77 ASN HD21 . 30925 1 822 . 1 . 1 77 77 ASN CA C 13 54.072 0.03 . . . . . . A 77 ASN CA . 30925 1 823 . 1 . 1 77 77 ASN CB C 13 38.842 0.00 . . . . . . A 77 ASN CB . 30925 1 824 . 1 . 1 77 77 ASN N N 15 118.512 0.02 . . . . . . A 77 ASN N . 30925 1 825 . 1 . 1 77 77 ASN ND2 N 15 112.075 0.00 . . . . . . A 77 ASN ND2 . 30925 1 826 . 1 . 1 78 78 ASN H H 1 9.150 0.00 . . . . . . A 78 ASN H . 30925 1 827 . 1 . 1 78 78 ASN HA H 1 4.303 0.00 . . . . . . A 78 ASN HA . 30925 1 828 . 1 . 1 78 78 ASN HB2 H 1 3.071 0.01 . . . . . . A 78 ASN HB2 . 30925 1 829 . 1 . 1 78 78 ASN HB3 H 1 2.801 0.00 . . . . . . A 78 ASN HB3 . 30925 1 830 . 1 . 1 78 78 ASN HD21 H 1 7.264 0.38 . . . . . . A 78 ASN HD21 . 30925 1 831 . 1 . 1 78 78 ASN CA C 13 54.424 0.08 . . . . . . A 78 ASN CA . 30925 1 832 . 1 . 1 78 78 ASN CB C 13 38.158 0.00 . . . . . . A 78 ASN CB . 30925 1 833 . 1 . 1 78 78 ASN N N 15 112.871 0.02 . . . . . . A 78 ASN N . 30925 1 834 . 1 . 1 78 78 ASN ND2 N 15 113.110 0.00 . . . . . . A 78 ASN ND2 . 30925 1 835 . 1 . 1 79 79 ASP H H 1 8.083 0.00 . . . . . . A 79 ASP H . 30925 1 836 . 1 . 1 79 79 ASP HA H 1 4.795 0.00 . . . . . . A 79 ASP HA . 30925 1 837 . 1 . 1 79 79 ASP HB2 H 1 3.314 0.00 . . . . . . A 79 ASP HB2 . 30925 1 838 . 1 . 1 79 79 ASP HB3 H 1 2.499 0.00 . . . . . . A 79 ASP HB3 . 30925 1 839 . 1 . 1 79 79 ASP C C 13 176.985 0.02 . . . . . . A 79 ASP C . 30925 1 840 . 1 . 1 79 79 ASP CA C 13 53.383 0.02 . . . . . . A 79 ASP CA . 30925 1 841 . 1 . 1 79 79 ASP CB C 13 42.320 0.08 . . . . . . A 79 ASP CB . 30925 1 842 . 1 . 1 79 79 ASP N N 15 118.666 0.01 . . . . . . A 79 ASP N . 30925 1 843 . 1 . 1 80 80 ALA H H 1 8.915 0.00 . . . . . . A 80 ALA H . 30925 1 844 . 1 . 1 80 80 ALA HA H 1 4.032 0.01 . . . . . . A 80 ALA HA . 30925 1 845 . 1 . 1 80 80 ALA HB1 H 1 1.502 0.00 . . . . . . A 80 ALA HB1 . 30925 1 846 . 1 . 1 80 80 ALA HB2 H 1 1.502 0.00 . . . . . . A 80 ALA HB2 . 30925 1 847 . 1 . 1 80 80 ALA HB3 H 1 1.502 0.00 . . . . . . A 80 ALA HB3 . 30925 1 848 . 1 . 1 80 80 ALA C C 13 179.737 0.12 . . . . . . A 80 ALA C . 30925 1 849 . 1 . 1 80 80 ALA CA C 13 54.656 0.12 . . . . . . A 80 ALA CA . 30925 1 850 . 1 . 1 80 80 ALA CB C 13 18.632 0.00 . . . . . . A 80 ALA CB . 30925 1 851 . 1 . 1 80 80 ALA N N 15 128.522 0.02 . . . . . . A 80 ALA N . 30925 1 852 . 1 . 1 81 81 GLU H H 1 8.875 0.00 . . . . . . A 81 GLU H . 30925 1 853 . 1 . 1 81 81 GLU HA H 1 4.275 0.00 . . . . . . A 81 GLU HA . 30925 1 854 . 1 . 1 81 81 GLU HB2 H 1 2.183 0.04 . . . . . . A 81 GLU HB2 . 30925 1 855 . 1 . 1 81 81 GLU HB3 H 1 2.105 0.02 . . . . . . A 81 GLU HB3 . 30925 1 856 . 1 . 1 81 81 GLU HG2 H 1 2.434 0.00 . . . . . . A 81 GLU HG2 . 30925 1 857 . 1 . 1 81 81 GLU HG3 H 1 2.294 0.01 . . . . . . A 81 GLU HG3 . 30925 1 858 . 1 . 1 81 81 GLU C C 13 177.227 0.04 . . . . . . A 81 GLU C . 30925 1 859 . 1 . 1 81 81 GLU CA C 13 57.555 0.04 . . . . . . A 81 GLU CA . 30925 1 860 . 1 . 1 81 81 GLU CB C 13 29.587 0.11 . . . . . . A 81 GLU CB . 30925 1 861 . 1 . 1 81 81 GLU CG C 13 36.753 0.04 . . . . . . A 81 GLU CG . 30925 1 862 . 1 . 1 81 81 GLU N N 15 116.096 0.00 . . . . . . A 81 GLU N . 30925 1 863 . 1 . 1 82 82 LEU H H 1 7.849 0.00 . . . . . . A 82 LEU H . 30925 1 864 . 1 . 1 82 82 LEU HA H 1 4.707 0.03 . . . . . . A 82 LEU HA . 30925 1 865 . 1 . 1 82 82 LEU HB2 H 1 2.490 0.00 . . . . . . A 82 LEU HB2 . 30925 1 866 . 1 . 1 82 82 LEU HB3 H 1 1.884 0.00 . . . . . . A 82 LEU HB3 . 30925 1 867 . 1 . 1 82 82 LEU HG H 1 1.616 0.00 . . . . . . A 82 LEU HG . 30925 1 868 . 1 . 1 82 82 LEU HD11 H 1 1.027 0.05 . . . . . . A 82 LEU HD11 . 30925 1 869 . 1 . 1 82 82 LEU HD12 H 1 1.027 0.05 . . . . . . A 82 LEU HD12 . 30925 1 870 . 1 . 1 82 82 LEU HD13 H 1 1.027 0.05 . . . . . . A 82 LEU HD13 . 30925 1 871 . 1 . 1 82 82 LEU HD21 H 1 0.976 0.00 . . . . . . A 82 LEU HD21 . 30925 1 872 . 1 . 1 82 82 LEU HD22 H 1 0.976 0.00 . . . . . . A 82 LEU HD22 . 30925 1 873 . 1 . 1 82 82 LEU HD23 H 1 0.976 0.00 . . . . . . A 82 LEU HD23 . 30925 1 874 . 1 . 1 82 82 LEU C C 13 175.394 0.02 . . . . . . A 82 LEU C . 30925 1 875 . 1 . 1 82 82 LEU CA C 13 52.444 0.02 . . . . . . A 82 LEU CA . 30925 1 876 . 1 . 1 82 82 LEU CB C 13 41.658 0.00 . . . . . . A 82 LEU CB . 30925 1 877 . 1 . 1 82 82 LEU CG C 13 25.735 0.00 . . . . . . A 82 LEU CG . 30925 1 878 . 1 . 1 82 82 LEU CD1 C 13 22.928 0.00 . . . . . . A 82 LEU CD1 . 30925 1 879 . 1 . 1 82 82 LEU CD2 C 13 22.970 0.07 . . . . . . A 82 LEU CD2 . 30925 1 880 . 1 . 1 82 82 LEU N N 15 123.287 0.01 . . . . . . A 82 LEU N . 30925 1 881 . 1 . 1 83 83 THR H H 1 6.866 0.01 . . . . . . A 83 THR H . 30925 1 882 . 1 . 1 83 83 THR HA H 1 5.247 0.00 . . . . . . A 83 THR HA . 30925 1 883 . 1 . 1 83 83 THR HB H 1 3.820 0.00 . . . . . . A 83 THR HB . 30925 1 884 . 1 . 1 83 83 THR HG21 H 1 1.086 0.00 . . . . . . A 83 THR HG21 . 30925 1 885 . 1 . 1 83 83 THR HG22 H 1 1.086 0.00 . . . . . . A 83 THR HG22 . 30925 1 886 . 1 . 1 83 83 THR HG23 H 1 1.086 0.00 . . . . . . A 83 THR HG23 . 30925 1 887 . 1 . 1 83 83 THR C C 13 173.135 0.00 . . . . . . A 83 THR C . 30925 1 888 . 1 . 1 83 83 THR CA C 13 60.755 0.00 . . . . . . A 83 THR CA . 30925 1 889 . 1 . 1 83 83 THR CB C 13 70.668 0.24 . . . . . . A 83 THR CB . 30925 1 890 . 1 . 1 83 83 THR CG2 C 13 21.268 0.00 . . . . . . A 83 THR CG2 . 30925 1 891 . 1 . 1 83 83 THR N N 15 113.791 0.05 . . . . . . A 83 THR N . 30925 1 892 . 1 . 1 84 84 TYR H H 1 8.970 0.00 . . . . . . A 84 TYR H . 30925 1 893 . 1 . 1 84 84 TYR HA H 1 4.836 0.01 . . . . . . A 84 TYR HA . 30925 1 894 . 1 . 1 84 84 TYR HB2 H 1 3.105 0.00 . . . . . . A 84 TYR HB2 . 30925 1 895 . 1 . 1 84 84 TYR HB3 H 1 2.433 0.01 . . . . . . A 84 TYR HB3 . 30925 1 896 . 1 . 1 84 84 TYR HD1 H 1 7.125 0.00 . . . . . . A 84 TYR HD1 . 30925 1 897 . 1 . 1 84 84 TYR HD2 H 1 7.117 0.01 . . . . . . A 84 TYR HD2 . 30925 1 898 . 1 . 1 84 84 TYR HE2 H 1 6.839 0.01 . . . . . . A 84 TYR HE2 . 30925 1 899 . 1 . 1 84 84 TYR C C 13 173.754 0.08 . . . . . . A 84 TYR C . 30925 1 900 . 1 . 1 84 84 TYR CA C 13 56.960 0.08 . . . . . . A 84 TYR CA . 30925 1 901 . 1 . 1 84 84 TYR CB C 13 43.579 0.08 . . . . . . A 84 TYR CB . 30925 1 902 . 1 . 1 84 84 TYR N N 15 123.939 0.02 . . . . . . A 84 TYR N . 30925 1 903 . 1 . 1 85 85 GLU H H 1 8.793 0.02 . . . . . . A 85 GLU H . 30925 1 904 . 1 . 1 85 85 GLU HA H 1 5.756 0.00 . . . . . . A 85 GLU HA . 30925 1 905 . 1 . 1 85 85 GLU HB2 H 1 1.929 0.00 . . . . . . A 85 GLU HB2 . 30925 1 906 . 1 . 1 85 85 GLU HB3 H 1 1.931 0.00 . . . . . . A 85 GLU HB3 . 30925 1 907 . 1 . 1 85 85 GLU HG2 H 1 2.157 0.00 . . . . . . A 85 GLU HG2 . 30925 1 908 . 1 . 1 85 85 GLU HG3 H 1 2.156 0.00 . . . . . . A 85 GLU HG3 . 30925 1 909 . 1 . 1 85 85 GLU C C 13 174.889 0.03 . . . . . . A 85 GLU C . 30925 1 910 . 1 . 1 85 85 GLU CA C 13 54.412 0.03 . . . . . . A 85 GLU CA . 30925 1 911 . 1 . 1 85 85 GLU CB C 13 34.531 0.03 . . . . . . A 85 GLU CB . 30925 1 912 . 1 . 1 85 85 GLU N N 15 120.096 0.01 . . . . . . A 85 GLU N . 30925 1 913 . 1 . 1 86 86 ILE H H 1 8.785 0.02 . . . . . . A 86 ILE H . 30925 1 914 . 1 . 1 86 86 ILE HA H 1 4.605 0.00 . . . . . . A 86 ILE HA . 30925 1 915 . 1 . 1 86 86 ILE HB H 1 1.692 0.04 . . . . . . A 86 ILE HB . 30925 1 916 . 1 . 1 86 86 ILE HG12 H 1 1.331 0.34 . . . . . . A 86 ILE HG12 . 30925 1 917 . 1 . 1 86 86 ILE HG13 H 1 0.920 0.06 . . . . . . A 86 ILE HG13 . 30925 1 918 . 1 . 1 86 86 ILE HG21 H 1 0.801 0.01 . . . . . . A 86 ILE HG21 . 30925 1 919 . 1 . 1 86 86 ILE HG22 H 1 0.801 0.01 . . . . . . A 86 ILE HG22 . 30925 1 920 . 1 . 1 86 86 ILE HG23 H 1 0.801 0.01 . . . . . . A 86 ILE HG23 . 30925 1 921 . 1 . 1 86 86 ILE HD11 H 1 0.653 0.00 . . . . . . A 86 ILE HD11 . 30925 1 922 . 1 . 1 86 86 ILE HD12 H 1 0.653 0.00 . . . . . . A 86 ILE HD12 . 30925 1 923 . 1 . 1 86 86 ILE HD13 H 1 0.653 0.00 . . . . . . A 86 ILE HD13 . 30925 1 924 . 1 . 1 86 86 ILE C C 13 180.781 0.10 . . . . . . A 86 ILE C . 30925 1 925 . 1 . 1 86 86 ILE CA C 13 59.726 0.10 . . . . . . A 86 ILE CA . 30925 1 926 . 1 . 1 86 86 ILE CB C 13 41.940 0.07 . . . . . . A 86 ILE CB . 30925 1 927 . 1 . 1 86 86 ILE CG1 C 13 28.074 0.04 . . . . . . A 86 ILE CG1 . 30925 1 928 . 1 . 1 86 86 ILE CG2 C 13 15.980 0.03 . . . . . . A 86 ILE CG2 . 30925 1 929 . 1 . 1 86 86 ILE CD1 C 13 14.304 0.08 . . . . . . A 86 ILE CD1 . 30925 1 930 . 1 . 1 86 86 ILE N N 15 120.445 0.00 . . . . . . A 86 ILE N . 30925 1 931 . 1 . 1 87 87 LEU H H 1 8.220 0.01 . . . . . . A 87 LEU H . 30925 1 932 . 1 . 1 87 87 LEU HA H 1 5.420 0.00 . . . . . . A 87 LEU HA . 30925 1 933 . 1 . 1 87 87 LEU HB2 H 1 1.725 0.00 . . . . . . A 87 LEU HB2 . 30925 1 934 . 1 . 1 87 87 LEU HB3 H 1 1.401 0.03 . . . . . . A 87 LEU HB3 . 30925 1 935 . 1 . 1 87 87 LEU HG H 1 1.397 0.00 . . . . . . A 87 LEU HG . 30925 1 936 . 1 . 1 87 87 LEU HD11 H 1 0.873 0.02 . . . . . . A 87 LEU HD11 . 30925 1 937 . 1 . 1 87 87 LEU HD12 H 1 0.873 0.02 . . . . . . A 87 LEU HD12 . 30925 1 938 . 1 . 1 87 87 LEU HD13 H 1 0.873 0.02 . . . . . . A 87 LEU HD13 . 30925 1 939 . 1 . 1 87 87 LEU HD21 H 1 0.863 0.03 . . . . . . A 87 LEU HD21 . 30925 1 940 . 1 . 1 87 87 LEU HD22 H 1 0.863 0.03 . . . . . . A 87 LEU HD22 . 30925 1 941 . 1 . 1 87 87 LEU HD23 H 1 0.863 0.03 . . . . . . A 87 LEU HD23 . 30925 1 942 . 1 . 1 87 87 LEU C C 13 175.766 0.06 . . . . . . A 87 LEU C . 30925 1 943 . 1 . 1 87 87 LEU CA C 13 53.536 0.06 . . . . . . A 87 LEU CA . 30925 1 944 . 1 . 1 87 87 LEU CB C 13 44.325 0.09 . . . . . . A 87 LEU CB . 30925 1 945 . 1 . 1 87 87 LEU CG C 13 27.417 0.00 . . . . . . A 87 LEU CG . 30925 1 946 . 1 . 1 87 87 LEU CD1 C 13 30.387 11.17 . . . . . . A 87 LEU CD1 . 30925 1 947 . 1 . 1 87 87 LEU CD2 C 13 24.359 0.05 . . . . . . A 87 LEU CD2 . 30925 1 948 . 1 . 1 87 87 LEU N N 15 129.257 0.01 . . . . . . A 87 LEU N . 30925 1 949 . 1 . 1 88 88 LEU H H 1 9.038 0.01 . . . . . . A 88 LEU H . 30925 1 950 . 1 . 1 88 88 LEU HA H 1 4.850 0.00 . . . . . . A 88 LEU HA . 30925 1 951 . 1 . 1 88 88 LEU HD11 H 1 0.774 0.02 . . . . . . A 88 LEU HD11 . 30925 1 952 . 1 . 1 88 88 LEU HD12 H 1 0.774 0.02 . . . . . . A 88 LEU HD12 . 30925 1 953 . 1 . 1 88 88 LEU HD13 H 1 0.774 0.02 . . . . . . A 88 LEU HD13 . 30925 1 954 . 1 . 1 88 88 LEU HD21 H 1 0.774 0.03 . . . . . . A 88 LEU HD21 . 30925 1 955 . 1 . 1 88 88 LEU HD22 H 1 0.774 0.03 . . . . . . A 88 LEU HD22 . 30925 1 956 . 1 . 1 88 88 LEU HD23 H 1 0.774 0.03 . . . . . . A 88 LEU HD23 . 30925 1 957 . 1 . 1 88 88 LEU C C 13 171.909 0.06 . . . . . . A 88 LEU C . 30925 1 958 . 1 . 1 88 88 LEU CA C 13 53.628 0.06 . . . . . . A 88 LEU CA . 30925 1 959 . 1 . 1 88 88 LEU CB C 13 43.190 0.09 . . . . . . A 88 LEU CB . 30925 1 960 . 1 . 1 88 88 LEU N N 15 126.374 0.01 . . . . . . A 88 LEU N . 30925 1 961 . 1 . 1 89 89 PRO HA H 1 4.886 0.01 . . . . . . A 89 PRO HA . 30925 1 962 . 1 . 1 89 89 PRO HB2 H 1 2.276 0.00 . . . . . . A 89 PRO HB2 . 30925 1 963 . 1 . 1 89 89 PRO HB3 H 1 1.990 0.00 . . . . . . A 89 PRO HB3 . 30925 1 964 . 1 . 1 89 89 PRO HG2 H 1 1.121 0.00 . . . . . . A 89 PRO HG2 . 30925 1 965 . 1 . 1 89 89 PRO HG3 H 1 1.121 0.00 . . . . . . A 89 PRO HG3 . 30925 1 966 . 1 . 1 89 89 PRO HD2 H 1 3.694 0.00 . . . . . . A 89 PRO HD2 . 30925 1 967 . 1 . 1 89 89 PRO HD3 H 1 3.602 0.00 . . . . . . A 89 PRO HD3 . 30925 1 968 . 1 . 1 89 89 PRO C C 13 178.545 0.00 . . . . . . A 89 PRO C . 30925 1 969 . 1 . 1 89 89 PRO CA C 13 65.244 0.00 . . . . . . A 89 PRO CA . 30925 1 970 . 1 . 1 89 89 PRO CB C 13 32.743 0.00 . . . . . . A 89 PRO CB . 30925 1 971 . 1 . 1 89 89 PRO CG C 13 28.192 0.00 . . . . . . A 89 PRO CG . 30925 1 972 . 1 . 1 90 90 ASN H H 1 9.710 0.01 . . . . . . A 90 ASN H . 30925 1 973 . 1 . 1 90 90 ASN HA H 1 4.413 0.01 . . . . . . A 90 ASN HA . 30925 1 974 . 1 . 1 90 90 ASN HB2 H 1 3.072 0.00 . . . . . . A 90 ASN HB2 . 30925 1 975 . 1 . 1 90 90 ASN HB3 H 1 2.853 0.00 . . . . . . A 90 ASN HB3 . 30925 1 976 . 1 . 1 90 90 ASN HD21 H 1 7.455 0.33 . . . . . . A 90 ASN HD21 . 30925 1 977 . 1 . 1 90 90 ASN CB C 13 37.148 0.00 . . . . . . A 90 ASN CB . 30925 1 978 . 1 . 1 90 90 ASN N N 15 126.907 0.06 . . . . . . A 90 ASN N . 30925 1 979 . 1 . 1 90 90 ASN ND2 N 15 113.073 0.00 . . . . . . A 90 ASN ND2 . 30925 1 980 . 1 . 1 91 91 HIS H H 1 8.353 0.01 . . . . . . A 91 HIS H . 30925 1 981 . 1 . 1 91 91 HIS HA H 1 4.283 0.13 . . . . . . A 91 HIS HA . 30925 1 982 . 1 . 1 91 91 HIS HB2 H 1 2.777 0.00 . . . . . . A 91 HIS HB2 . 30925 1 983 . 1 . 1 91 91 HIS HB3 H 1 2.172 0.00 . . . . . . A 91 HIS HB3 . 30925 1 984 . 1 . 1 91 91 HIS C C 13 177.781 0.09 . . . . . . A 91 HIS C . 30925 1 985 . 1 . 1 91 91 HIS CA C 13 58.166 0.09 . . . . . . A 91 HIS CA . 30925 1 986 . 1 . 1 91 91 HIS CB C 13 27.412 0.00 . . . . . . A 91 HIS CB . 30925 1 987 . 1 . 1 91 91 HIS N N 15 112.829 0.13 . . . . . . A 91 HIS N . 30925 1 988 . 1 . 1 92 92 GLU H H 1 6.541 0.01 . . . . . . A 92 GLU H . 30925 1 989 . 1 . 1 92 92 GLU HA H 1 4.064 0.04 . . . . . . A 92 GLU HA . 30925 1 990 . 1 . 1 92 92 GLU HB2 H 1 1.885 0.00 . . . . . . A 92 GLU HB2 . 30925 1 991 . 1 . 1 92 92 GLU HB3 H 1 1.885 0.00 . . . . . . A 92 GLU HB3 . 30925 1 992 . 1 . 1 92 92 GLU HG2 H 1 2.186 0.07 . . . . . . A 92 GLU HG2 . 30925 1 993 . 1 . 1 92 92 GLU HG3 H 1 1.991 0.17 . . . . . . A 92 GLU HG3 . 30925 1 994 . 1 . 1 92 92 GLU C C 13 177.779 0.09 . . . . . . A 92 GLU C . 30925 1 995 . 1 . 1 92 92 GLU CA C 13 58.559 0.09 . . . . . . A 92 GLU CA . 30925 1 996 . 1 . 1 92 92 GLU CB C 13 30.219 0.00 . . . . . . A 92 GLU CB . 30925 1 997 . 1 . 1 92 92 GLU CG C 13 36.364 0.09 . . . . . . A 92 GLU CG . 30925 1 998 . 1 . 1 92 92 GLU N N 15 120.956 0.06 . . . . . . A 92 GLU N . 30925 1 999 . 1 . 1 93 93 PHE H H 1 8.152 0.00 . . . . . . A 93 PHE H . 30925 1 1000 . 1 . 1 93 93 PHE HA H 1 4.470 0.00 . . . . . . A 93 PHE HA . 30925 1 1001 . 1 . 1 93 93 PHE HB2 H 1 2.947 0.00 . . . . . . A 93 PHE HB2 . 30925 1 1002 . 1 . 1 93 93 PHE HB3 H 1 2.947 0.00 . . . . . . A 93 PHE HB3 . 30925 1 1003 . 1 . 1 93 93 PHE C C 13 177.627 0.00 . . . . . . A 93 PHE C . 30925 1 1004 . 1 . 1 93 93 PHE CA C 13 60.789 0.00 . . . . . . A 93 PHE CA . 30925 1 1005 . 1 . 1 93 93 PHE CB C 13 38.893 0.00 . . . . . . A 93 PHE CB . 30925 1 1006 . 1 . 1 93 93 PHE N N 15 120.357 0.10 . . . . . . A 93 PHE N . 30925 1 1007 . 1 . 1 94 94 LEU H H 1 8.846 0.01 . . . . . . A 94 LEU H . 30925 1 1008 . 1 . 1 94 94 LEU HA H 1 3.461 0.00 . . . . . . A 94 LEU HA . 30925 1 1009 . 1 . 1 94 94 LEU HB2 H 1 1.828 0.00 . . . . . . A 94 LEU HB2 . 30925 1 1010 . 1 . 1 94 94 LEU HB3 H 1 1.407 0.08 . . . . . . A 94 LEU HB3 . 30925 1 1011 . 1 . 1 94 94 LEU HG H 1 1.262 0.01 . . . . . . A 94 LEU HG . 30925 1 1012 . 1 . 1 94 94 LEU HD11 H 1 0.328 0.00 . . . . . . A 94 LEU HD11 . 30925 1 1013 . 1 . 1 94 94 LEU HD12 H 1 0.328 0.00 . . . . . . A 94 LEU HD12 . 30925 1 1014 . 1 . 1 94 94 LEU HD13 H 1 0.328 0.00 . . . . . . A 94 LEU HD13 . 30925 1 1015 . 1 . 1 94 94 LEU HD21 H 1 0.203 0.00 . . . . . . A 94 LEU HD21 . 30925 1 1016 . 1 . 1 94 94 LEU HD22 H 1 0.203 0.00 . . . . . . A 94 LEU HD22 . 30925 1 1017 . 1 . 1 94 94 LEU HD23 H 1 0.203 0.00 . . . . . . A 94 LEU HD23 . 30925 1 1018 . 1 . 1 94 94 LEU C C 13 179.240 0.07 . . . . . . A 94 LEU C . 30925 1 1019 . 1 . 1 94 94 LEU CA C 13 56.596 0.07 . . . . . . A 94 LEU CA . 30925 1 1020 . 1 . 1 94 94 LEU CB C 13 40.675 0.07 . . . . . . A 94 LEU CB . 30925 1 1021 . 1 . 1 94 94 LEU CG C 13 28.666 0.03 . . . . . . A 94 LEU CG . 30925 1 1022 . 1 . 1 94 94 LEU CD1 C 13 24.994 0.01 . . . . . . A 94 LEU CD1 . 30925 1 1023 . 1 . 1 94 94 LEU CD2 C 13 22.954 0.03 . . . . . . A 94 LEU CD2 . 30925 1 1024 . 1 . 1 94 94 LEU N N 15 117.680 0.03 . . . . . . A 94 LEU N . 30925 1 1025 . 1 . 1 95 95 GLU H H 1 6.952 0.00 . . . . . . A 95 GLU H . 30925 1 1026 . 1 . 1 95 95 GLU HA H 1 4.050 0.01 . . . . . . A 95 GLU HA . 30925 1 1027 . 1 . 1 95 95 GLU HB2 H 1 2.063 0.01 . . . . . . A 95 GLU HB2 . 30925 1 1028 . 1 . 1 95 95 GLU HB3 H 1 1.966 0.00 . . . . . . A 95 GLU HB3 . 30925 1 1029 . 1 . 1 95 95 GLU HG2 H 1 2.437 0.02 . . . . . . A 95 GLU HG2 . 30925 1 1030 . 1 . 1 95 95 GLU HG3 H 1 2.406 0.02 . . . . . . A 95 GLU HG3 . 30925 1 1031 . 1 . 1 95 95 GLU C C 13 178.756 0.11 . . . . . . A 95 GLU C . 30925 1 1032 . 1 . 1 95 95 GLU CA C 13 59.841 0.11 . . . . . . A 95 GLU CA . 30925 1 1033 . 1 . 1 95 95 GLU CB C 13 29.346 0.09 . . . . . . A 95 GLU CB . 30925 1 1034 . 1 . 1 95 95 GLU CG C 13 35.336 0.03 . . . . . . A 95 GLU CG . 30925 1 1035 . 1 . 1 95 95 GLU N N 15 116.925 0.01 . . . . . . A 95 GLU N . 30925 1 1036 . 1 . 1 96 96 TYR H H 1 6.837 0.01 . . . . . . A 96 TYR H . 30925 1 1037 . 1 . 1 96 96 TYR HA H 1 4.693 0.03 . . . . . . A 96 TYR HA . 30925 1 1038 . 1 . 1 96 96 TYR HB2 H 1 2.958 0.01 . . . . . . A 96 TYR HB2 . 30925 1 1039 . 1 . 1 96 96 TYR HB3 H 1 2.845 0.00 . . . . . . A 96 TYR HB3 . 30925 1 1040 . 1 . 1 96 96 TYR HD1 H 1 7.297 0.00 . . . . . . A 96 TYR HD1 . 30925 1 1041 . 1 . 1 96 96 TYR HD2 H 1 7.299 0.00 . . . . . . A 96 TYR HD2 . 30925 1 1042 . 1 . 1 96 96 TYR C C 13 178.754 0.07 . . . . . . A 96 TYR C . 30925 1 1043 . 1 . 1 96 96 TYR CA C 13 58.889 0.07 . . . . . . A 96 TYR CA . 30925 1 1044 . 1 . 1 96 96 TYR CB C 13 36.497 0.07 . . . . . . A 96 TYR CB . 30925 1 1045 . 1 . 1 96 96 TYR N N 15 116.665 0.01 . . . . . . A 96 TYR N . 30925 1 1046 . 1 . 1 97 97 LEU H H 1 7.696 0.00 . . . . . . A 97 LEU H . 30925 1 1047 . 1 . 1 97 97 LEU HA H 1 3.923 0.01 . . . . . . A 97 LEU HA . 30925 1 1048 . 1 . 1 97 97 LEU HB2 H 1 1.813 0.01 . . . . . . A 97 LEU HB2 . 30925 1 1049 . 1 . 1 97 97 LEU HB3 H 1 1.820 0.00 . . . . . . A 97 LEU HB3 . 30925 1 1050 . 1 . 1 97 97 LEU HG H 1 1.080 0.01 . . . . . . A 97 LEU HG . 30925 1 1051 . 1 . 1 97 97 LEU HD11 H 1 0.427 0.03 . . . . . . A 97 LEU HD11 . 30925 1 1052 . 1 . 1 97 97 LEU HD12 H 1 0.427 0.03 . . . . . . A 97 LEU HD12 . 30925 1 1053 . 1 . 1 97 97 LEU HD13 H 1 0.427 0.03 . . . . . . A 97 LEU HD13 . 30925 1 1054 . 1 . 1 97 97 LEU HD21 H 1 0.159 0.00 . . . . . . A 97 LEU HD21 . 30925 1 1055 . 1 . 1 97 97 LEU HD22 H 1 0.159 0.00 . . . . . . A 97 LEU HD22 . 30925 1 1056 . 1 . 1 97 97 LEU HD23 H 1 0.159 0.00 . . . . . . A 97 LEU HD23 . 30925 1 1057 . 1 . 1 97 97 LEU C C 13 179.241 0.09 . . . . . . A 97 LEU C . 30925 1 1058 . 1 . 1 97 97 LEU CA C 13 57.541 0.09 . . . . . . A 97 LEU CA . 30925 1 1059 . 1 . 1 97 97 LEU CB C 13 40.837 0.00 . . . . . . A 97 LEU CB . 30925 1 1060 . 1 . 1 97 97 LEU CG C 13 25.573 0.00 . . . . . . A 97 LEU CG . 30925 1 1061 . 1 . 1 97 97 LEU CD1 C 13 25.657 0.07 . . . . . . A 97 LEU CD1 . 30925 1 1062 . 1 . 1 97 97 LEU CD2 C 13 20.829 0.00 . . . . . . A 97 LEU CD2 . 30925 1 1063 . 1 . 1 97 97 LEU N N 15 118.442 0.00 . . . . . . A 97 LEU N . 30925 1 1064 . 1 . 1 98 98 ILE H H 1 8.494 0.14 . . . . . . A 98 ILE H . 30925 1 1065 . 1 . 1 98 98 ILE HA H 1 3.335 0.00 . . . . . . A 98 ILE HA . 30925 1 1066 . 1 . 1 98 98 ILE HB H 1 2.029 0.01 . . . . . . A 98 ILE HB . 30925 1 1067 . 1 . 1 98 98 ILE HG12 H 1 0.698 0.19 . . . . . . A 98 ILE HG12 . 30925 1 1068 . 1 . 1 98 98 ILE HG13 H 1 0.829 0.01 . . . . . . A 98 ILE HG13 . 30925 1 1069 . 1 . 1 98 98 ILE HG21 H 1 0.812 0.10 . . . . . . A 98 ILE HG21 . 30925 1 1070 . 1 . 1 98 98 ILE HG22 H 1 0.812 0.10 . . . . . . A 98 ILE HG22 . 30925 1 1071 . 1 . 1 98 98 ILE HG23 H 1 0.812 0.10 . . . . . . A 98 ILE HG23 . 30925 1 1072 . 1 . 1 98 98 ILE HD11 H 1 0.426 0.00 . . . . . . A 98 ILE HD11 . 30925 1 1073 . 1 . 1 98 98 ILE HD12 H 1 0.426 0.00 . . . . . . A 98 ILE HD12 . 30925 1 1074 . 1 . 1 98 98 ILE HD13 H 1 0.426 0.00 . . . . . . A 98 ILE HD13 . 30925 1 1075 . 1 . 1 98 98 ILE C C 13 177.827 14.11 . . . . . . A 98 ILE C . 30925 1 1076 . 1 . 1 98 98 ILE CA C 13 57.346 14.11 . . . . . . A 98 ILE CA . 30925 1 1077 . 1 . 1 98 98 ILE CB C 13 37.673 0.01 . . . . . . A 98 ILE CB . 30925 1 1078 . 1 . 1 98 98 ILE CG1 C 13 30.542 0.00 . . . . . . A 98 ILE CG1 . 30925 1 1079 . 1 . 1 98 98 ILE CG2 C 13 20.307 9.42 . . . . . . A 98 ILE CG2 . 30925 1 1080 . 1 . 1 98 98 ILE CD1 C 13 16.794 9.91 . . . . . . A 98 ILE CD1 . 30925 1 1081 . 1 . 1 98 98 ILE N N 15 121.582 0.02 . . . . . . A 98 ILE N . 30925 1 1082 . 1 . 1 99 99 ASP H H 1 7.987 0.15 . . . . . . A 99 ASP H . 30925 1 1083 . 1 . 1 99 99 ASP HA H 1 4.378 0.04 . . . . . . A 99 ASP HA . 30925 1 1084 . 1 . 1 99 99 ASP HB2 H 1 2.981 0.00 . . . . . . A 99 ASP HB2 . 30925 1 1085 . 1 . 1 99 99 ASP HB3 H 1 2.698 0.00 . . . . . . A 99 ASP HB3 . 30925 1 1086 . 1 . 1 99 99 ASP C C 13 180.170 0.00 . . . . . . A 99 ASP C . 30925 1 1087 . 1 . 1 99 99 ASP CA C 13 58.258 0.00 . . . . . . A 99 ASP CA . 30925 1 1088 . 1 . 1 99 99 ASP CB C 13 39.945 0.00 . . . . . . A 99 ASP CB . 30925 1 1089 . 1 . 1 99 99 ASP N N 15 120.172 0.02 . . . . . . A 99 ASP N . 30925 1 1090 . 1 . 1 100 100 MET H H 1 8.305 0.01 . . . . . . A 100 MET H . 30925 1 1091 . 1 . 1 100 100 MET HA H 1 4.224 0.00 . . . . . . A 100 MET HA . 30925 1 1092 . 1 . 1 100 100 MET HB2 H 1 1.922 0.00 . . . . . . A 100 MET HB2 . 30925 1 1093 . 1 . 1 100 100 MET HB3 H 1 1.889 0.03 . . . . . . A 100 MET HB3 . 30925 1 1094 . 1 . 1 100 100 MET HG2 H 1 2.349 0.02 . . . . . . A 100 MET HG2 . 30925 1 1095 . 1 . 1 100 100 MET HG3 H 1 2.369 0.00 . . . . . . A 100 MET HG3 . 30925 1 1096 . 1 . 1 100 100 MET C C 13 179.612 0.07 . . . . . . A 100 MET C . 30925 1 1097 . 1 . 1 100 100 MET CA C 13 59.049 0.07 . . . . . . A 100 MET CA . 30925 1 1098 . 1 . 1 100 100 MET CB C 13 34.232 0.00 . . . . . . A 100 MET CB . 30925 1 1099 . 1 . 1 100 100 MET CG C 13 30.261 0.00 . . . . . . A 100 MET CG . 30925 1 1100 . 1 . 1 100 100 MET N N 15 123.552 0.00 . . . . . . A 100 MET N . 30925 1 1101 . 1 . 1 101 101 LEU H H 1 8.432 0.00 . . . . . . A 101 LEU H . 30925 1 1102 . 1 . 1 101 101 LEU HA H 1 4.013 0.00 . . . . . . A 101 LEU HA . 30925 1 1103 . 1 . 1 101 101 LEU HB2 H 1 1.986 0.00 . . . . . . A 101 LEU HB2 . 30925 1 1104 . 1 . 1 101 101 LEU HB3 H 1 1.841 0.00 . . . . . . A 101 LEU HB3 . 30925 1 1105 . 1 . 1 101 101 LEU HG H 1 1.550 0.00 . . . . . . A 101 LEU HG . 30925 1 1106 . 1 . 1 101 101 LEU HD11 H 1 0.876 0.00 . . . . . . A 101 LEU HD11 . 30925 1 1107 . 1 . 1 101 101 LEU HD12 H 1 0.876 0.00 . . . . . . A 101 LEU HD12 . 30925 1 1108 . 1 . 1 101 101 LEU HD13 H 1 0.876 0.00 . . . . . . A 101 LEU HD13 . 30925 1 1109 . 1 . 1 101 101 LEU HD21 H 1 0.876 0.00 . . . . . . A 101 LEU HD21 . 30925 1 1110 . 1 . 1 101 101 LEU HD22 H 1 0.876 0.00 . . . . . . A 101 LEU HD22 . 30925 1 1111 . 1 . 1 101 101 LEU HD23 H 1 0.876 0.00 . . . . . . A 101 LEU HD23 . 30925 1 1112 . 1 . 1 101 101 LEU C C 13 180.005 0.00 . . . . . . A 101 LEU C . 30925 1 1113 . 1 . 1 101 101 LEU CA C 13 58.424 0.00 . . . . . . A 101 LEU CA . 30925 1 1114 . 1 . 1 101 101 LEU CB C 13 41.179 0.00 . . . . . . A 101 LEU CB . 30925 1 1115 . 1 . 1 101 101 LEU CG C 13 26.999 0.00 . . . . . . A 101 LEU CG . 30925 1 1116 . 1 . 1 101 101 LEU CD1 C 13 25.974 0.00 . . . . . . A 101 LEU CD1 . 30925 1 1117 . 1 . 1 101 101 LEU CD2 C 13 24.322 0.00 . . . . . . A 101 LEU CD2 . 30925 1 1118 . 1 . 1 101 101 LEU N N 15 122.989 0.01 . . . . . . A 101 LEU N . 30925 1 1119 . 1 . 1 102 102 MET H H 1 8.633 0.00 . . . . . . A 102 MET H . 30925 1 1120 . 1 . 1 102 102 MET HA H 1 3.738 0.01 . . . . . . A 102 MET HA . 30925 1 1121 . 1 . 1 102 102 MET HB2 H 1 2.004 0.00 . . . . . . A 102 MET HB2 . 30925 1 1122 . 1 . 1 102 102 MET HB3 H 1 1.868 0.14 . . . . . . A 102 MET HB3 . 30925 1 1123 . 1 . 1 102 102 MET HG2 H 1 2.220 0.00 . . . . . . A 102 MET HG2 . 30925 1 1124 . 1 . 1 102 102 MET HG3 H 1 1.867 0.14 . . . . . . A 102 MET HG3 . 30925 1 1125 . 1 . 1 102 102 MET C C 13 179.554 0.09 . . . . . . A 102 MET C . 30925 1 1126 . 1 . 1 102 102 MET CA C 13 60.069 0.09 . . . . . . A 102 MET CA . 30925 1 1127 . 1 . 1 102 102 MET CB C 13 31.920 0.00 . . . . . . A 102 MET CB . 30925 1 1128 . 1 . 1 102 102 MET CG C 13 31.906 0.00 . . . . . . A 102 MET CG . 30925 1 1129 . 1 . 1 102 102 MET N N 15 120.819 0.01 . . . . . . A 102 MET N . 30925 1 1130 . 1 . 1 103 103 GLY H H 1 8.511 0.00 . . . . . . A 103 GLY H . 30925 1 1131 . 1 . 1 103 103 GLY HA2 H 1 4.094 0.01 . . . . . . A 103 GLY HA2 . 30925 1 1132 . 1 . 1 103 103 GLY HA3 H 1 3.965 0.00 . . . . . . A 103 GLY HA3 . 30925 1 1133 . 1 . 1 103 103 GLY C C 13 176.075 0.02 . . . . . . A 103 GLY C . 30925 1 1134 . 1 . 1 103 103 GLY CA C 13 46.982 0.02 . . . . . . A 103 GLY CA . 30925 1 1135 . 1 . 1 103 103 GLY N N 15 107.785 0.01 . . . . . . A 103 GLY N . 30925 1 1136 . 1 . 1 104 104 TYR H H 1 8.250 0.00 . . . . . . A 104 TYR H . 30925 1 1137 . 1 . 1 104 104 TYR HA H 1 4.418 0.00 . . . . . . A 104 TYR HA . 30925 1 1138 . 1 . 1 104 104 TYR HB2 H 1 3.149 0.05 . . . . . . A 104 TYR HB2 . 30925 1 1139 . 1 . 1 104 104 TYR HB3 H 1 3.132 0.04 . . . . . . A 104 TYR HB3 . 30925 1 1140 . 1 . 1 104 104 TYR HD2 H 1 6.956 0.00 . . . . . . A 104 TYR HD2 . 30925 1 1141 . 1 . 1 104 104 TYR C C 13 178.258 0.00 . . . . . . A 104 TYR C . 30925 1 1142 . 1 . 1 104 104 TYR CA C 13 61.748 0.00 . . . . . . A 104 TYR CA . 30925 1 1143 . 1 . 1 104 104 TYR CB C 13 38.779 0.04 . . . . . . A 104 TYR CB . 30925 1 1144 . 1 . 1 104 104 TYR N N 15 124.603 0.06 . . . . . . A 104 TYR N . 30925 1 1145 . 1 . 1 105 105 GLN H H 1 8.033 0.00 . . . . . . A 105 GLN H . 30925 1 1146 . 1 . 1 105 105 GLN HA H 1 4.026 0.00 . . . . . . A 105 GLN HA . 30925 1 1147 . 1 . 1 105 105 GLN HB2 H 1 2.338 0.01 . . . . . . A 105 GLN HB2 . 30925 1 1148 . 1 . 1 105 105 GLN HB3 H 1 2.341 0.00 . . . . . . A 105 GLN HB3 . 30925 1 1149 . 1 . 1 105 105 GLN HG2 H 1 2.703 0.00 . . . . . . A 105 GLN HG2 . 30925 1 1150 . 1 . 1 105 105 GLN HG3 H 1 2.609 0.01 . . . . . . A 105 GLN HG3 . 30925 1 1151 . 1 . 1 105 105 GLN HE21 H 1 7.377 0.34 . . . . . . A 105 GLN HE21 . 30925 1 1152 . 1 . 1 105 105 GLN HE22 H 1 7.377 0.34 . . . . . . A 105 GLN HE22 . 30925 1 1153 . 1 . 1 105 105 GLN CA C 13 58.587 0.07 . . . . . . A 105 GLN CA . 30925 1 1154 . 1 . 1 105 105 GLN CB C 13 28.302 0.00 . . . . . . A 105 GLN CB . 30925 1 1155 . 1 . 1 105 105 GLN CG C 13 33.467 0.01 . . . . . . A 105 GLN CG . 30925 1 1156 . 1 . 1 105 105 GLN N N 15 118.660 0.00 . . . . . . A 105 GLN N . 30925 1 1157 . 1 . 1 105 105 GLN NE2 N 15 112.704 0.00 . . . . . . A 105 GLN NE2 . 30925 1 1158 . 1 . 1 106 106 ARG H H 1 7.694 0.00 . . . . . . A 106 ARG H . 30925 1 1159 . 1 . 1 106 106 ARG HA H 1 4.255 0.01 . . . . . . A 106 ARG HA . 30925 1 1160 . 1 . 1 106 106 ARG HB2 H 1 1.980 0.01 . . . . . . A 106 ARG HB2 . 30925 1 1161 . 1 . 1 106 106 ARG HB3 H 1 1.849 0.00 . . . . . . A 106 ARG HB3 . 30925 1 1162 . 1 . 1 106 106 ARG HG2 H 1 1.829 0.06 . . . . . . A 106 ARG HG2 . 30925 1 1163 . 1 . 1 106 106 ARG HG3 H 1 1.683 0.00 . . . . . . A 106 ARG HG3 . 30925 1 1164 . 1 . 1 106 106 ARG HD2 H 1 3.301 0.01 . . . . . . A 106 ARG HD2 . 30925 1 1165 . 1 . 1 106 106 ARG HD3 H 1 3.311 0.00 . . . . . . A 106 ARG HD3 . 30925 1 1166 . 1 . 1 106 106 ARG C C 13 177.908 0.06 . . . . . . A 106 ARG C . 30925 1 1167 . 1 . 1 106 106 ARG CA C 13 58.868 0.06 . . . . . . A 106 ARG CA . 30925 1 1168 . 1 . 1 106 106 ARG CB C 13 31.463 0.06 . . . . . . A 106 ARG CB . 30925 1 1169 . 1 . 1 106 106 ARG CG C 13 27.725 0.00 . . . . . . A 106 ARG CG . 30925 1 1170 . 1 . 1 106 106 ARG CD C 13 43.277 0.02 . . . . . . A 106 ARG CD . 30925 1 1171 . 1 . 1 106 106 ARG N N 15 115.237 0.00 . . . . . . A 106 ARG N . 30925 1 1172 . 1 . 1 107 107 MET H H 1 8.315 0.00 . . . . . . A 107 MET H . 30925 1 1173 . 1 . 1 107 107 MET HA H 1 4.696 0.00 . . . . . . A 107 MET HA . 30925 1 1174 . 1 . 1 107 107 MET HB2 H 1 2.158 0.00 . . . . . . A 107 MET HB2 . 30925 1 1175 . 1 . 1 107 107 MET HB3 H 1 2.052 0.00 . . . . . . A 107 MET HB3 . 30925 1 1176 . 1 . 1 107 107 MET HG2 H 1 2.567 0.01 . . . . . . A 107 MET HG2 . 30925 1 1177 . 1 . 1 107 107 MET HG3 H 1 2.567 0.00 . . . . . . A 107 MET HG3 . 30925 1 1178 . 1 . 1 107 107 MET C C 13 175.204 0.08 . . . . . . A 107 MET C . 30925 1 1179 . 1 . 1 107 107 MET CA C 13 55.047 0.08 . . . . . . A 107 MET CA . 30925 1 1180 . 1 . 1 107 107 MET CB C 13 34.488 0.09 . . . . . . A 107 MET CB . 30925 1 1181 . 1 . 1 107 107 MET CG C 13 32.034 0.06 . . . . . . A 107 MET CG . 30925 1 1182 . 1 . 1 107 107 MET N N 15 113.822 0.01 . . . . . . A 107 MET N . 30925 1 1183 . 1 . 1 108 108 GLN H H 1 8.467 0.00 . . . . . . A 108 GLN H . 30925 1 1184 . 1 . 1 108 108 GLN HB2 H 1 1.943 0.00 . . . . . . A 108 GLN HB2 . 30925 1 1185 . 1 . 1 108 108 GLN HB3 H 1 1.943 0.00 . . . . . . A 108 GLN HB3 . 30925 1 1186 . 1 . 1 108 108 GLN HG2 H 1 2.866 0.00 . . . . . . A 108 GLN HG2 . 30925 1 1187 . 1 . 1 108 108 GLN HG3 H 1 2.168 0.00 . . . . . . A 108 GLN HG3 . 30925 1 1188 . 1 . 1 108 108 GLN HE21 H 1 6.801 0.33 . . . . . . A 108 GLN HE21 . 30925 1 1189 . 1 . 1 108 108 GLN HE22 H 1 6.801 0.33 . . . . . . A 108 GLN HE22 . 30925 1 1190 . 1 . 1 108 108 GLN CA C 13 57.626 0.00 . . . . . . A 108 GLN CA . 30925 1 1191 . 1 . 1 108 108 GLN CB C 13 25.584 0.00 . . . . . . A 108 GLN CB . 30925 1 1192 . 1 . 1 108 108 GLN CG C 13 34.941 0.00 . . . . . . A 108 GLN CG . 30925 1 1193 . 1 . 1 108 108 GLN N N 15 115.734 0.01 . . . . . . A 108 GLN N . 30925 1 1194 . 1 . 1 108 108 GLN NE2 N 15 112.415 0.00 . . . . . . A 108 GLN NE2 . 30925 1 1195 . 1 . 1 109 109 LYS H H 1 6.933 0.00 . . . . . . A 109 LYS H . 30925 1 1196 . 1 . 1 109 109 LYS HA H 1 4.692 0.14 . . . . . . A 109 LYS HA . 30925 1 1197 . 1 . 1 109 109 LYS HB2 H 1 1.948 0.00 . . . . . . A 109 LYS HB2 . 30925 1 1198 . 1 . 1 109 109 LYS HB3 H 1 1.678 0.12 . . . . . . A 109 LYS HB3 . 30925 1 1199 . 1 . 1 109 109 LYS HG2 H 1 1.420 0.02 . . . . . . A 109 LYS HG2 . 30925 1 1200 . 1 . 1 109 109 LYS HG3 H 1 1.383 0.01 . . . . . . A 109 LYS HG3 . 30925 1 1201 . 1 . 1 109 109 LYS HD2 H 1 1.742 0.05 . . . . . . A 109 LYS HD2 . 30925 1 1202 . 1 . 1 109 109 LYS HD3 H 1 1.673 0.02 . . . . . . A 109 LYS HD3 . 30925 1 1203 . 1 . 1 109 109 LYS HE2 H 1 3.044 0.01 . . . . . . A 109 LYS HE2 . 30925 1 1204 . 1 . 1 109 109 LYS HE3 H 1 3.058 0.00 . . . . . . A 109 LYS HE3 . 30925 1 1205 . 1 . 1 109 109 LYS C C 13 176.141 0.05 . . . . . . A 109 LYS C . 30925 1 1206 . 1 . 1 109 109 LYS CA C 13 54.532 0.05 . . . . . . A 109 LYS CA . 30925 1 1207 . 1 . 1 109 109 LYS CB C 13 35.356 0.02 . . . . . . A 109 LYS CB . 30925 1 1208 . 1 . 1 109 109 LYS CG C 13 24.524 0.02 . . . . . . A 109 LYS CG . 30925 1 1209 . 1 . 1 109 109 LYS CD C 13 28.722 0.06 . . . . . . A 109 LYS CD . 30925 1 1210 . 1 . 1 109 109 LYS CE C 13 42.217 0.06 . . . . . . A 109 LYS CE . 30925 1 1211 . 1 . 1 109 109 LYS N N 15 115.981 0.01 . . . . . . A 109 LYS N . 30925 1 1212 . 1 . 1 110 110 THR H H 1 9.108 0.00 . . . . . . A 110 THR H . 30925 1 1213 . 1 . 1 110 110 THR HA H 1 4.359 0.03 . . . . . . A 110 THR HA . 30925 1 1214 . 1 . 1 110 110 THR HB H 1 4.263 0.00 . . . . . . A 110 THR HB . 30925 1 1215 . 1 . 1 110 110 THR HG21 H 1 1.187 0.01 . . . . . . A 110 THR HG21 . 30925 1 1216 . 1 . 1 110 110 THR HG22 H 1 1.187 0.01 . . . . . . A 110 THR HG22 . 30925 1 1217 . 1 . 1 110 110 THR HG23 H 1 1.187 0.01 . . . . . . A 110 THR HG23 . 30925 1 1218 . 1 . 1 110 110 THR C C 13 171.585 0.00 . . . . . . A 110 THR C . 30925 1 1219 . 1 . 1 110 110 THR CA C 13 62.587 0.00 . . . . . . A 110 THR CA . 30925 1 1220 . 1 . 1 110 110 THR CB C 13 68.686 0.00 . . . . . . A 110 THR CB . 30925 1 1221 . 1 . 1 110 110 THR CG2 C 13 21.760 21.20 . . . . . . A 110 THR CG2 . 30925 1 1222 . 1 . 1 110 110 THR N N 15 122.037 0.02 . . . . . . A 110 THR N . 30925 1 1223 . 1 . 1 111 111 ASP H H 1 8.968 0.00 . . . . . . A 111 ASP H . 30925 1 1224 . 1 . 1 111 111 ASP HA H 1 5.261 0.00 . . . . . . A 111 ASP HA . 30925 1 1225 . 1 . 1 111 111 ASP HB2 H 1 3.166 0.00 . . . . . . A 111 ASP HB2 . 30925 1 1226 . 1 . 1 111 111 ASP HB3 H 1 2.560 0.00 . . . . . . A 111 ASP HB3 . 30925 1 1227 . 1 . 1 111 111 ASP C C 13 176.587 0.10 . . . . . . A 111 ASP C . 30925 1 1228 . 1 . 1 111 111 ASP CA C 13 53.270 0.10 . . . . . . A 111 ASP CA . 30925 1 1229 . 1 . 1 111 111 ASP CB C 13 44.443 0.08 . . . . . . A 111 ASP CB . 30925 1 1230 . 1 . 1 111 111 ASP N N 15 123.148 0.01 . . . . . . A 111 ASP N . 30925 1 1231 . 1 . 1 112 112 PHE H H 1 8.491 0.00 . . . . . . A 112 PHE H . 30925 1 1232 . 1 . 1 112 112 PHE C C 13 173.137 9.91 . . . . . . A 112 PHE C . 30925 1 1233 . 1 . 1 112 112 PHE CA C 13 57.644 9.91 . . . . . . A 112 PHE CA . 30925 1 1234 . 1 . 1 112 112 PHE CB C 13 40.103 0.03 . . . . . . A 112 PHE CB . 30925 1 1235 . 1 . 1 112 112 PHE N N 15 122.525 0.01 . . . . . . A 112 PHE N . 30925 1 1236 . 1 . 1 113 113 PRO HA H 1 4.802 0.00 . . . . . . A 113 PRO HA . 30925 1 1237 . 1 . 1 113 113 PRO HB2 H 1 2.463 0.00 . . . . . . A 113 PRO HB2 . 30925 1 1238 . 1 . 1 113 113 PRO HB3 H 1 2.463 0.00 . . . . . . A 113 PRO HB3 . 30925 1 1239 . 1 . 1 113 113 PRO HG2 H 1 2.123 0.00 . . . . . . A 113 PRO HG2 . 30925 1 1240 . 1 . 1 113 113 PRO HG3 H 1 2.123 0.00 . . . . . . A 113 PRO HG3 . 30925 1 1241 . 1 . 1 113 113 PRO HD2 H 1 2.962 0.00 . . . . . . A 113 PRO HD2 . 30925 1 1242 . 1 . 1 113 113 PRO HD3 H 1 2.962 0.00 . . . . . . A 113 PRO HD3 . 30925 1 1243 . 1 . 1 113 113 PRO C C 13 177.920 0.00 . . . . . . A 113 PRO C . 30925 1 1244 . 1 . 1 113 113 PRO CA C 13 61.768 0.00 . . . . . . A 113 PRO CA . 30925 1 1245 . 1 . 1 113 113 PRO CB C 13 32.254 0.00 . . . . . . A 113 PRO CB . 30925 1 1246 . 1 . 1 113 113 PRO CG C 13 28.743 0.00 . . . . . . A 113 PRO CG . 30925 1 1247 . 1 . 1 114 114 GLY H H 1 9.152 0.00 . . . . . . A 114 GLY H . 30925 1 1248 . 1 . 1 114 114 GLY HA2 H 1 4.210 0.00 . . . . . . A 114 GLY HA2 . 30925 1 1249 . 1 . 1 114 114 GLY HA3 H 1 4.062 0.00 . . . . . . A 114 GLY HA3 . 30925 1 1250 . 1 . 1 114 114 GLY C C 13 176.758 0.06 . . . . . . A 114 GLY C . 30925 1 1251 . 1 . 1 114 114 GLY CA C 13 48.163 0.06 . . . . . . A 114 GLY CA . 30925 1 1252 . 1 . 1 114 114 GLY N N 15 109.942 0.02 . . . . . . A 114 GLY N . 30925 1 1253 . 1 . 1 115 115 ALA H H 1 8.932 0.00 . . . . . . A 115 ALA H . 30925 1 1254 . 1 . 1 115 115 ALA HA H 1 4.049 0.00 . . . . . . A 115 ALA HA . 30925 1 1255 . 1 . 1 115 115 ALA HB1 H 1 1.623 0.00 . . . . . . A 115 ALA HB1 . 30925 1 1256 . 1 . 1 115 115 ALA HB2 H 1 1.623 0.00 . . . . . . A 115 ALA HB2 . 30925 1 1257 . 1 . 1 115 115 ALA HB3 H 1 1.623 0.00 . . . . . . A 115 ALA HB3 . 30925 1 1258 . 1 . 1 115 115 ALA C C 13 180.317 0.08 . . . . . . A 115 ALA C . 30925 1 1259 . 1 . 1 115 115 ALA CA C 13 55.176 0.08 . . . . . . A 115 ALA CA . 30925 1 1260 . 1 . 1 115 115 ALA CB C 13 19.070 0.03 . . . . . . A 115 ALA CB . 30925 1 1261 . 1 . 1 115 115 ALA N N 15 121.175 0.01 . . . . . . A 115 ALA N . 30925 1 1262 . 1 . 1 116 116 PHE H H 1 7.294 0.00 . . . . . . A 116 PHE H . 30925 1 1263 . 1 . 1 116 116 PHE HA H 1 3.377 0.00 . . . . . . A 116 PHE HA . 30925 1 1264 . 1 . 1 116 116 PHE HB2 H 1 2.572 0.01 . . . . . . A 116 PHE HB2 . 30925 1 1265 . 1 . 1 116 116 PHE HB3 H 1 1.846 0.01 . . . . . . A 116 PHE HB3 . 30925 1 1266 . 1 . 1 116 116 PHE HD1 H 1 5.799 0.00 . . . . . . A 116 PHE HD1 . 30925 1 1267 . 1 . 1 116 116 PHE HE1 H 1 6.794 0.00 . . . . . . A 116 PHE HE1 . 30925 1 1268 . 1 . 1 116 116 PHE C C 13 176.008 9.91 . . . . . . A 116 PHE C . 30925 1 1269 . 1 . 1 116 116 PHE CA C 13 56.742 9.91 . . . . . . A 116 PHE CA . 30925 1 1270 . 1 . 1 116 116 PHE CB C 13 37.849 0.03 . . . . . . A 116 PHE CB . 30925 1 1271 . 1 . 1 116 116 PHE N N 15 116.290 0.01 . . . . . . A 116 PHE N . 30925 1 1272 . 1 . 1 117 117 TYR H H 1 6.860 0.01 . . . . . . A 117 TYR H . 30925 1 1273 . 1 . 1 117 117 TYR HA H 1 3.723 0.01 . . . . . . A 117 TYR HA . 30925 1 1274 . 1 . 1 117 117 TYR HB2 H 1 2.960 0.00 . . . . . . A 117 TYR HB2 . 30925 1 1275 . 1 . 1 117 117 TYR HB3 H 1 2.829 0.01 . . . . . . A 117 TYR HB3 . 30925 1 1276 . 1 . 1 117 117 TYR HD1 H 1 6.890 0.00 . . . . . . A 117 TYR HD1 . 30925 1 1277 . 1 . 1 117 117 TYR HD2 H 1 6.886 0.00 . . . . . . A 117 TYR HD2 . 30925 1 1278 . 1 . 1 117 117 TYR C C 13 177.677 14.06 . . . . . . A 117 TYR C . 30925 1 1279 . 1 . 1 117 117 TYR CA C 13 52.377 14.06 . . . . . . A 117 TYR CA . 30925 1 1280 . 1 . 1 117 117 TYR CB C 13 37.343 0.05 . . . . . . A 117 TYR CB . 30925 1 1281 . 1 . 1 117 117 TYR N N 15 117.349 0.01 . . . . . . A 117 TYR N . 30925 1 1282 . 1 . 1 118 118 ARG H H 1 8.021 0.00 . . . . . . A 118 ARG H . 30925 1 1283 . 1 . 1 118 118 ARG HA H 1 3.880 0.00 . . . . . . A 118 ARG HA . 30925 1 1284 . 1 . 1 118 118 ARG HB2 H 1 1.866 0.07 . . . . . . A 118 ARG HB2 . 30925 1 1285 . 1 . 1 118 118 ARG HB3 H 1 1.736 0.04 . . . . . . A 118 ARG HB3 . 30925 1 1286 . 1 . 1 118 118 ARG HG2 H 1 1.492 0.00 . . . . . . A 118 ARG HG2 . 30925 1 1287 . 1 . 1 118 118 ARG HG3 H 1 1.558 0.07 . . . . . . A 118 ARG HG3 . 30925 1 1288 . 1 . 1 118 118 ARG HD2 H 1 3.155 0.00 . . . . . . A 118 ARG HD2 . 30925 1 1289 . 1 . 1 118 118 ARG HD3 H 1 3.159 0.01 . . . . . . A 118 ARG HD3 . 30925 1 1290 . 1 . 1 118 118 ARG C C 13 178.479 10.48 . . . . . . A 118 ARG C . 30925 1 1291 . 1 . 1 118 118 ARG CA C 13 55.170 10.48 . . . . . . A 118 ARG CA . 30925 1 1292 . 1 . 1 118 118 ARG CB C 13 29.686 0.08 . . . . . . A 118 ARG CB . 30925 1 1293 . 1 . 1 118 118 ARG CG C 13 27.595 0.00 . . . . . . A 118 ARG CG . 30925 1 1294 . 1 . 1 118 118 ARG CD C 13 42.995 0.02 . . . . . . A 118 ARG CD . 30925 1 1295 . 1 . 1 118 118 ARG N N 15 117.717 0.01 . . . . . . A 118 ARG N . 30925 1 1296 . 1 . 1 119 119 ARG H H 1 6.988 0.00 . . . . . . A 119 ARG H . 30925 1 1297 . 1 . 1 119 119 ARG HA H 1 4.056 0.01 . . . . . . A 119 ARG HA . 30925 1 1298 . 1 . 1 119 119 ARG HB2 H 1 1.786 0.04 . . . . . . A 119 ARG HB2 . 30925 1 1299 . 1 . 1 119 119 ARG HB3 H 1 1.719 0.05 . . . . . . A 119 ARG HB3 . 30925 1 1300 . 1 . 1 119 119 ARG HG2 H 1 1.750 0.11 . . . . . . A 119 ARG HG2 . 30925 1 1301 . 1 . 1 119 119 ARG HG3 H 1 1.615 0.04 . . . . . . A 119 ARG HG3 . 30925 1 1302 . 1 . 1 119 119 ARG HD2 H 1 3.346 0.01 . . . . . . A 119 ARG HD2 . 30925 1 1303 . 1 . 1 119 119 ARG HD3 H 1 3.032 0.01 . . . . . . A 119 ARG HD3 . 30925 1 1304 . 1 . 1 119 119 ARG C C 13 178.017 0.14 . . . . . . A 119 ARG C . 30925 1 1305 . 1 . 1 119 119 ARG CA C 13 58.243 0.14 . . . . . . A 119 ARG CA . 30925 1 1306 . 1 . 1 119 119 ARG CB C 13 30.436 0.07 . . . . . . A 119 ARG CB . 30925 1 1307 . 1 . 1 119 119 ARG CG C 13 26.629 0.01 . . . . . . A 119 ARG CG . 30925 1 1308 . 1 . 1 119 119 ARG CD C 13 44.146 0.03 . . . . . . A 119 ARG CD . 30925 1 1309 . 1 . 1 119 119 ARG N N 15 118.395 0.01 . . . . . . A 119 ARG N . 30925 1 1310 . 1 . 1 120 120 LEU H H 1 8.050 0.00 . . . . . . A 120 LEU H . 30925 1 1311 . 1 . 1 120 120 LEU HA H 1 3.643 0.00 . . . . . . A 120 LEU HA . 30925 1 1312 . 1 . 1 120 120 LEU HB2 H 1 1.346 0.01 . . . . . . A 120 LEU HB2 . 30925 1 1313 . 1 . 1 120 120 LEU HB3 H 1 1.278 0.06 . . . . . . A 120 LEU HB3 . 30925 1 1314 . 1 . 1 120 120 LEU HG H 1 0.717 0.21 . . . . . . A 120 LEU HG . 30925 1 1315 . 1 . 1 120 120 LEU HD11 H 1 0.530 0.00 . . . . . . A 120 LEU HD11 . 30925 1 1316 . 1 . 1 120 120 LEU HD12 H 1 0.530 0.00 . . . . . . A 120 LEU HD12 . 30925 1 1317 . 1 . 1 120 120 LEU HD13 H 1 0.530 0.00 . . . . . . A 120 LEU HD13 . 30925 1 1318 . 1 . 1 120 120 LEU HD21 H 1 0.533 0.01 . . . . . . A 120 LEU HD21 . 30925 1 1319 . 1 . 1 120 120 LEU HD22 H 1 0.533 0.01 . . . . . . A 120 LEU HD22 . 30925 1 1320 . 1 . 1 120 120 LEU HD23 H 1 0.533 0.01 . . . . . . A 120 LEU HD23 . 30925 1 1321 . 1 . 1 120 120 LEU C C 13 177.068 0.09 . . . . . . A 120 LEU C . 30925 1 1322 . 1 . 1 120 120 LEU CA C 13 57.518 0.09 . . . . . . A 120 LEU CA . 30925 1 1323 . 1 . 1 120 120 LEU CB C 13 43.138 0.06 . . . . . . A 120 LEU CB . 30925 1 1324 . 1 . 1 120 120 LEU CG C 13 26.378 0.00 . . . . . . A 120 LEU CG . 30925 1 1325 . 1 . 1 120 120 LEU CD1 C 13 23.035 0.04 . . . . . . A 120 LEU CD1 . 30925 1 1326 . 1 . 1 120 120 LEU CD2 C 13 23.042 0.05 . . . . . . A 120 LEU CD2 . 30925 1 1327 . 1 . 1 120 120 LEU N N 15 119.863 0.01 . . . . . . A 120 LEU N . 30925 1 1328 . 1 . 1 121 121 LEU H H 1 8.143 0.00 . . . . . . A 121 LEU H . 30925 1 1329 . 1 . 1 121 121 LEU HA H 1 3.917 0.00 . . . . . . A 121 LEU HA . 30925 1 1330 . 1 . 1 121 121 LEU HB2 H 1 1.349 0.01 . . . . . . A 121 LEU HB2 . 30925 1 1331 . 1 . 1 121 121 LEU HB3 H 1 1.349 0.06 . . . . . . A 121 LEU HB3 . 30925 1 1332 . 1 . 1 121 121 LEU HG H 1 1.103 0.21 . . . . . . A 121 LEU HG . 30925 1 1333 . 1 . 1 121 121 LEU HD11 H 1 0.479 0.00 . . . . . . A 121 LEU HD11 . 30925 1 1334 . 1 . 1 121 121 LEU HD12 H 1 0.479 0.00 . . . . . . A 121 LEU HD12 . 30925 1 1335 . 1 . 1 121 121 LEU HD13 H 1 0.479 0.00 . . . . . . A 121 LEU HD13 . 30925 1 1336 . 1 . 1 121 121 LEU HD21 H 1 0.479 0.01 . . . . . . A 121 LEU HD21 . 30925 1 1337 . 1 . 1 121 121 LEU HD22 H 1 0.479 0.01 . . . . . . A 121 LEU HD22 . 30925 1 1338 . 1 . 1 121 121 LEU HD23 H 1 0.479 0.01 . . . . . . A 121 LEU HD23 . 30925 1 1339 . 1 . 1 121 121 LEU C C 13 177.984 0.09 . . . . . . A 121 LEU C . 30925 1 1340 . 1 . 1 121 121 LEU CA C 13 55.242 0.09 . . . . . . A 121 LEU CA . 30925 1 1341 . 1 . 1 121 121 LEU CB C 13 41.651 0.06 . . . . . . A 121 LEU CB . 30925 1 1342 . 1 . 1 121 121 LEU N N 15 114.389 0.01 . . . . . . A 121 LEU N . 30925 1 1343 . 1 . 1 122 122 GLY H H 1 7.463 0.00 . . . . . . A 122 GLY H . 30925 1 1344 . 1 . 1 122 122 GLY HA2 H 1 4.122 0.01 . . . . . . A 122 GLY HA2 . 30925 1 1345 . 1 . 1 122 122 GLY HA3 H 1 3.837 0.01 . . . . . . A 122 GLY HA3 . 30925 1 1346 . 1 . 1 122 122 GLY C C 13 174.238 0.05 . . . . . . A 122 GLY C . 30925 1 1347 . 1 . 1 122 122 GLY CA C 13 45.659 0.05 . . . . . . A 122 GLY CA . 30925 1 1348 . 1 . 1 122 122 GLY N N 15 106.469 0.00 . . . . . . A 122 GLY N . 30925 1 1349 . 1 . 1 123 123 TYR H H 1 7.725 0.00 . . . . . . A 123 TYR H . 30925 1 1350 . 1 . 1 123 123 TYR HA H 1 4.641 0.00 . . . . . . A 123 TYR HA . 30925 1 1351 . 1 . 1 123 123 TYR HB2 H 1 3.152 0.00 . . . . . . A 123 TYR HB2 . 30925 1 1352 . 1 . 1 123 123 TYR HB3 H 1 2.913 0.00 . . . . . . A 123 TYR HB3 . 30925 1 1353 . 1 . 1 123 123 TYR HD2 H 1 7.027 0.00 . . . . . . A 123 TYR HD2 . 30925 1 1354 . 1 . 1 123 123 TYR HE2 H 1 6.761 0.00 . . . . . . A 123 TYR HE2 . 30925 1 1355 . 1 . 1 123 123 TYR C C 13 175.113 0.09 . . . . . . A 123 TYR C . 30925 1 1356 . 1 . 1 123 123 TYR CA C 13 57.100 0.09 . . . . . . A 123 TYR CA . 30925 1 1357 . 1 . 1 123 123 TYR CB C 13 38.670 0.04 . . . . . . A 123 TYR CB . 30925 1 1358 . 1 . 1 123 123 TYR N N 15 118.142 0.01 . . . . . . A 123 TYR N . 30925 1 1359 . 1 . 1 124 124 ASP H H 1 8.470 0.00 . . . . . . A 124 ASP H . 30925 1 1360 . 1 . 1 124 124 ASP HA H 1 4.691 0.00 . . . . . . A 124 ASP HA . 30925 1 1361 . 1 . 1 124 124 ASP HB2 H 1 2.743 0.00 . . . . . . A 124 ASP HB2 . 30925 1 1362 . 1 . 1 124 124 ASP HB3 H 1 2.590 0.00 . . . . . . A 124 ASP HB3 . 30925 1 1363 . 1 . 1 124 124 ASP C C 13 175.143 0.14 . . . . . . A 124 ASP C . 30925 1 1364 . 1 . 1 124 124 ASP CA C 13 54.199 0.14 . . . . . . A 124 ASP CA . 30925 1 1365 . 1 . 1 124 124 ASP CB C 13 41.546 0.04 . . . . . . A 124 ASP CB . 30925 1 1366 . 1 . 1 124 124 ASP N N 15 120.728 0.00 . . . . . . A 124 ASP N . 30925 1 1367 . 1 . 1 125 125 SER H H 1 7.807 0.00 . . . . . . A 125 SER H . 30925 1 1368 . 1 . 1 125 125 SER HB2 H 1 3.695 0.00 . . . . . . A 125 SER HB2 . 30925 1 1369 . 1 . 1 125 125 SER HB3 H 1 3.695 0.00 . . . . . . A 125 SER HB3 . 30925 1 1370 . 1 . 1 125 125 SER C C 13 178.536 0.14 . . . . . . A 125 SER C . 30925 1 1371 . 1 . 1 125 125 SER CA C 13 60.105 0.14 . . . . . . A 125 SER CA . 30925 1 1372 . 1 . 1 125 125 SER CB C 13 65.052 0.14 . . . . . . A 125 SER CB . 30925 1 1373 . 1 . 1 125 125 SER N N 15 120.943 0.01 . . . . . . A 125 SER N . 30925 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 30925 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _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 8 _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 NOE_13C _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; 0.000 1.104 54.122 +2.652559e+07 -0.001 0.404 55.420 +3.030567e+07 0.004 1.098 54.057 +2.322723e+07 0.007 1.108 44.890 +3.342802e+07 -0.008 1.098 54.994 +2.277564e+07 -0.009 1.098 54.985 +2.326179e+07 -0.011 0.201 52.923 +5.623124e+07 0.011 1.098 44.920 +3.235687e+07 -0.013 0.408 55.405 +3.140280e+07 0.015 0.530 53.052 +2.900843e+07 0.018 0.250 51.812 +5.029248e+07 0.018 0.531 53.354 +1.896768e+07 -0.022 1.082 51.246 +7.195646e+07 0.023 0.327 55.021 +3.853222e+07 -0.023 0.361 54.011 +2.531895e+07 0.024 0.322 47.480 +3.182843e+07 -0.024 1.078 51.092 +7.761338e+07 -0.060 0.326 55.007 +2.973905e+07 -0.063 0.162 50.794 +2.974804e+07 -0.063 0.325 47.449 +2.646304e+07 0.065 1.168 47.981 +3.621311e+07 0.067 0.244 51.832 +4.674906e+07 0.070 1.174 47.966 +3.585728e+07 0.072 0.535 53.072 +2.212028e+07 0.072 1.175 51.452 +4.969010e+07 0.074 1.179 51.480 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+2.650668e+07 5.400 0.683 54.555 +2.110039e+07 5.401 1.579 54.556 +2.640542e+07 5.403 -0.563 54.526 +8.490063e+06 5.403 6.183 54.538 +4.065835e+07 5.404 1.452 54.522 +3.317020e+07 5.404 1.987 54.517 +2.031255e+07 5.404 5.408 54.508 +1.768812e+08 5.415 1.397 53.595 +3.656946e+07 5.416 0.026 54.526 +8.752100e+06 5.418 1.722 53.553 +1.988400e+07 5.418 5.010 53.566 +3.186533e+07 5.419 0.847 53.572 +4.018497e+07 5.419 5.422 53.739 +1.170425e+08 5.421 0.402 54.526 +1.118164e+07 5.468 2.472 54.284 +1.846729e+07 5.471 1.091 54.317 +2.075232e+07 5.472 5.249 54.291 +4.051569e+07 5.472 5.475 54.328 +1.329522e+08 5.473 1.884 54.315 +1.998904e+07 5.473 1.944 54.316 +2.183861e+07 5.474 2.139 54.291 +1.435251e+07 5.520 2.158 55.075 +2.703866e+07 5.521 1.928 54.994 +1.596092e+07 5.522 5.524 55.085 +1.963499e+08 5.524 3.130 55.125 +2.517910e+07 5.524 3.424 55.228 +1.485732e+07 5.524 5.759 55.074 +3.528206e+07 5.713 -1.349 27.484 +1.960032e+07 5.714 -1.348 57.337 +1.815245e+07 5.715 5.719 27.483 +1.196216e+08 5.715 5.886 57.447 +3.594104e+07 5.717 3.256 57.337 +1.418445e+07 5.718 3.407 57.337 +1.319485e+07 5.722 1.169 57.571 +1.000963e+07 5.752 0.813 54.526 +1.129134e+07 5.753 -0.236 54.433 +6.116407e+07 5.755 1.928 54.428 +4.025314e+07 5.755 5.757 54.424 +1.540732e+08 5.757 2.156 54.430 +2.885819e+07 5.757 5.523 54.409 +3.203044e+07 5.761 0.530 54.526 +9.552544e+06 5.798 5.796 41.859 +3.605312e+07 5.874 -1.343 56.868 +7.691858e+06 5.884 2.706 56.831 +2.327495e+07 5.885 3.047 56.826 +2.017962e+07 5.885 5.887 56.829 +1.175264e+08 5.887 1.073 56.868 +5.628125e+06 5.887 5.717 56.810 +3.494132e+07 5.892 0.402 56.868 +6.287286e+06 6.032 5.343 56.092 +3.047486e+07 6.035 3.397 56.126 +2.613006e+07 6.035 6.037 56.102 +1.145685e+08 6.036 3.260 56.104 +2.109244e+07 6.178 0.665 50.146 +3.750785e+07 6.179 5.404 50.111 +4.147724e+07 6.180 1.991 50.093 +5.258036e+07 6.180 6.182 50.102 +1.131196e+08 6.214 6.755 28.861 +2.085759e+07 6.214 6.755 28.988 +1.930245e+07 6.301 6.304 41.865 +2.967550e+07 6.318 6.854 29.223 +1.687573e+07 6.319 6.858 29.182 +1.744129e+07 6.332 6.334 28.153 +1.317945e+08 6.395 6.401 28.250 +3.919758e+07 6.397 -1.564 28.286 +9.634804e+06 6.500 6.500 41.665 +2.105860e+07 6.716 6.850 29.168 +1.654363e+07 6.721 6.958 28.456 +3.648157e+07 6.751 6.752 28.833 +8.929628e+08 6.752 7.025 28.854 +2.171835e+08 6.755 7.029 43.596 +1.811061e+07 6.755 7.083 27.909 +1.947514e+07 6.789 1.088 28.286 +9.213603e+06 6.794 1.620 28.520 +1.522023e+07 6.825 7.298 29.196 +6.460474e+07 6.830 7.112 28.622 +5.523415e+07 6.834 6.839 29.123 +6.114237e+08 6.837 -1.339 28.286 +8.133666e+06 6.875 7.217 29.301 +3.240685e+07 6.885 6.888 46.091 +1.959228e+07 6.892 6.892 43.796 +3.315730e+07 6.945 6.951 29.570 +8.957089e+07 6.951 0.669 44.686 +7.525958e+06 6.956 6.957 44.546 +9.124833e+07 6.957 6.726 44.567 +3.044189e+07 7.065 7.063 40.079 +2.537937e+07 7.070 7.212 40.698 +1.933501e+07 7.110 6.835 44.061 +2.449821e+07 7.112 7.110 44.060 +5.963944e+07 7.120 7.121 33.077 +2.682747e+07 7.200 7.214 41.743 +5.029951e+07 7.211 -1.342 41.945 +3.483955e+07 7.213 6.886 44.598 +2.943414e+07 7.213 7.216 44.556 +1.231406e+08 7.221 0.960 44.686 +8.467847e+06 7.289 7.295 31.422 +3.343668e+07 7.649 7.206 40.825 +2.483863e+07 7.846 -1.151 55.002 +3.137150e+07 7.852 1.091 54.760 +5.836304e+06 7.852 4.589 54.994 +9.065448e+06 8.021 -0.982 49.453 +2.011825e+07 ; 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 . . 7211.539 Hz . . . 2.877 . . 30925 1 2 . . C 13 C . folded 4534.808 Hz . . . 42.577 . . 30925 1 3 . . H 1 H . folded 5410.185 Hz . . . 2.877 . . 30925 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 30925 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _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 7 _Spectral_peak_list.Experiment_name '3D 1H-15N 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 NOE_15N _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Data Height ?-?-? 0.334 121.823 8.483 28959656 ?-?-? 3.461 121.829 8.483 55558640 ?-?-? 2.934 121.860 8.479 4901128 ?-?-? 2.150 121.772 8.487 12510656 ?-?-? 2.039 121.774 8.490 39412880 ?-?-? 1.475 121.819 8.483 71591592 ?-?-? 1.103 121.807 8.484 39098492 ?-?-? 0.835 121.822 8.483 138406064 ?-?-? 0.673 121.837 8.485 25325844 ?-?-? 4.448 121.828 8.483 137260816 ?-?-? 4.862 121.731 8.484 18695484 ?-?-? 7.468 121.923 8.482 8540692 ?-?-? 8.230 121.790 8.485 46107368 ?-?-? 0.330 115.423 8.232 28337218 ?-?-? 0.837 115.423 8.233 51492904 ?-?-? 1.477 115.410 8.230 13207467 ?-?-? 1.736 115.414 8.232 30288544 ?-?-? 2.039 115.411 8.232 46422080 ?-?-? 2.258 115.439 8.233 19203000 ?-?-? 2.898 115.426 8.232 50877424 ?-?-? 2.765 115.426 8.232 56151108 ?-?-? 3.458 115.424 8.233 24612424 ?-?-? 3.309 115.414 8.233 6618549 ?-?-? 4.416 115.420 8.232 97885672 ?-?-? 4.864 115.519 8.233 13474278 ?-?-? 7.465 115.431 8.233 81826880 ?-?-? 7.268 115.440 8.236 13082240 ?-?-? 8.231 115.420 8.232 835624768 ?-?-? 8.484 115.424 8.233 61564628 ?-?-? 8.476 117.365 7.460 7138778 ?-?-? 8.232 117.258 7.466 64673988 ?-?-? 7.465 117.250 7.466 552828864 ?-?-? 7.266 117.261 7.465 104048456 ?-?-? 4.473 117.248 7.466 66910252 ?-?-? 3.458 117.252 7.463 14299266 ?-?-? 2.900 117.175 7.464 10296485 ?-?-? 2.760 117.262 7.462 9606798 ?-?-? 2.261 117.247 7.466 78833040 ?-?-? 2.125 117.247 7.466 79787640 ?-?-? 1.737 117.216 7.465 18476426 ?-?-? 1.494 117.312 7.470 5300447 ?-?-? 1.097 117.258 7.467 10068938 ?-?-? 0.915 117.164 7.465 10112719 ?-?-? 8.512 119.123 7.271 4188676 ?-?-? 8.233 119.144 7.268 11484960 ?-?-? 7.948 119.140 7.266 17248520 ?-?-? 7.466 119.128 7.265 115616704 ?-?-? 7.266 119.122 7.265 626678080 ?-?-? 6.899 119.128 7.272 10728409 ?-?-? 4.397 119.122 7.265 71471472 ?-?-? 3.460 119.137 7.265 32672576 ?-?-? 2.141 119.121 7.265 166337488 ?-?-? 1.495 119.127 7.265 45245052 ?-?-? 1.097 119.124 7.265 55518600 ?-?-? 0.916 119.122 7.265 54629164 ?-?-? 0.328 119.105 7.263 10109871 ?-?-? 1.077 116.813 7.950 58307884 ?-?-? 0.899 116.818 7.948 160492448 ?-?-? 1.494 116.813 7.948 37159268 ?-?-? 2.302 116.824 7.948 29167144 ?-?-? 2.085 116.820 7.948 27349278 ?-?-? 3.728 116.809 7.946 7921721 ?-?-? 4.116 116.834 7.948 16494764 ?-?-? 4.392 116.814 7.948 220128720 ?-?-? 4.881 116.814 7.950 33157012 ?-?-? 5.581 116.795 7.947 19264160 ?-?-? 7.266 116.800 7.949 12517957 ?-?-? 6.886 116.840 7.951 10245823 ?-?-? 6.865 116.706 7.943 7755220 ?-?-? 7.948 116.815 7.948 520188992 ?-?-? 8.361 124.997 7.617 8894177 ?-?-? 7.620 124.974 7.619 381392064 ?-?-? 7.095 124.936 7.616 13010509 ?-?-? 6.927 125.027 7.617 5703394 ?-?-? 5.579 124.998 7.617 32450266 ?-?-? 4.319 124.956 7.619 16865890 ?-?-? 4.176 124.976 7.618 60645604 ?-?-? 4.041 124.966 7.620 30329572 ?-?-? 3.252 124.977 7.619 140724944 ?-?-? 2.400 124.991 7.617 19786004 ?-?-? 2.076 125.045 7.622 5759952 ?-?-? 1.957 125.049 7.617 6211363 ?-?-? 1.771 124.997 7.618 34051992 ?-?-? 1.403 124.984 7.618 118764264 ?-?-? 1.236 125.005 7.619 20793602 ?-?-? 0.907 125.016 7.619 21018772 ?-?-? 1.087 125.104 7.608 4632852 ?-?-? 0.910 119.449 8.361 9120163 ?-?-? 1.675 119.462 8.358 21949872 ?-?-? 1.404 119.444 8.358 123130128 ?-?-? 2.873 119.445 8.358 130270240 ?-?-? 2.779 119.438 8.358 107839216 ?-?-? 4.174 119.444 8.358 197875424 ?-?-? 3.945 119.432 8.360 13484218 ?-?-? 4.696 119.447 8.358 65946572 ?-?-? 7.640 119.435 8.357 15047064 ?-?-? 8.361 119.437 8.358 661007616 ?-?-? 8.957 119.088 8.955 583787712 ?-?-? 8.436 119.072 8.962 6779964 ?-?-? 7.854 119.087 8.954 17288278 ?-?-? 7.662 119.087 8.955 117379104 ?-?-? 3.932 119.075 8.957 26741968 ?-?-? 4.188 119.085 8.954 81549208 ?-?-? 4.425 119.096 8.957 9364629 ?-?-? 4.698 119.090 8.954 14467467 ?-?-? 4.866 119.085 8.955 39441404 ?-?-? 2.475 119.106 8.956 16149946 ?-?-? 2.873 119.076 8.957 11291500 ?-?-? 2.772 119.104 8.955 16079198 ?-?-? 3.306 119.095 8.956 14472084 ?-?-? 2.159 119.090 8.954 37491028 ?-?-? 1.965 119.083 8.955 146039712 ?-?-? 1.796 119.092 8.954 87421792 ?-?-? 1.680 119.076 8.955 28036162 ?-?-? 0.913 119.105 8.953 6784832 ?-?-? 0.366 123.581 7.658 7778306 ?-?-? 0.639 123.623 7.658 6576826 ?-?-? 0.913 123.558 7.660 25461184 ?-?-? 1.410 123.663 7.664 9306294 ?-?-? 1.678 123.566 7.660 206146592 ?-?-? 1.787 123.570 7.662 30703244 ?-?-? 1.964 123.588 7.660 76439168 ?-?-? 2.187 123.589 7.660 22504176 ?-?-? 2.866 123.572 7.663 19577752 ?-?-? 2.777 123.552 7.662 37858116 ?-?-? 4.194 123.563 7.660 43119492 ?-?-? 4.428 123.560 7.660 81041384 ?-?-? 4.883 123.575 7.658 10082207 ?-?-? 7.663 123.603 7.660 720824256 ?-?-? 7.856 123.548 7.661 117202768 ?-?-? 8.444 123.573 7.663 15519250 ?-?-? 8.366 123.581 7.660 10575781 ?-?-? 8.958 123.553 7.661 103099312 ?-?-? 8.956 116.982 7.856 13005895 ?-?-? 8.446 116.990 7.855 55536408 ?-?-? 7.857 116.980 7.855 454325440 ?-?-? 7.662 116.988 7.855 92435064 ?-?-? 7.472 117.044 7.855 12106103 ?-?-? 4.425 117.008 7.855 22232162 ?-?-? 4.225 117.004 7.855 45079888 ?-?-? 4.062 116.983 7.857 16150915 ?-?-? 3.409 116.975 7.855 48850760 ?-?-? 2.480 116.878 7.860 6433889 ?-?-? 2.195 116.988 7.855 96410240 ?-?-? 1.962 117.024 7.856 10183488 ?-?-? 1.678 116.988 7.855 77316672 ?-?-? 1.407 116.973 7.855 12012683 ?-?-? 0.912 116.988 7.855 134378352 ?-?-? 0.650 116.983 7.855 14728065 ?-?-? 0.360 116.930 7.851 10403925 ?-?-? 0.649 115.410 8.443 6528510 ?-?-? 0.934 115.397 8.443 65223604 ?-?-? 1.678 115.504 8.448 13531074 ?-?-? 1.947 115.665 8.460 39033636 ?-?-? 2.194 115.442 8.444 100417400 ?-?-? 2.479 115.396 8.444 8100900 ?-?-? 3.408 115.394 8.445 28531026 ?-?-? 4.370 115.415 8.444 93343808 ?-?-? 4.201 115.402 8.443 54804376 ?-?-? 4.073 115.397 8.443 171504784 ?-?-? 4.860 115.446 8.444 16199151 ?-?-? 7.854 115.403 8.443 89353496 ?-?-? 7.676 115.614 8.456 20249422 ?-?-? 7.483 115.407 8.443 63104692 ?-?-? 8.452 115.489 8.450 783584192 ?-?-? 7.483 120.142 7.483 596347520 ?-?-? 7.822 120.130 7.483 71439512 ?-?-? 8.180 120.128 7.484 11506701 ?-?-? 8.446 120.136 7.483 53111348 ?-?-? 4.408 120.139 7.484 32038376 ?-?-? 4.233 120.142 7.483 77300880 ?-?-? 4.074 120.148 7.483 47948540 ?-?-? 3.407 120.140 7.485 15888807 ?-?-? 3.123 120.116 7.486 6610411 ?-?-? 2.111 120.145 7.483 90569128 ?-?-? 1.890 120.136 7.484 88833096 ?-?-? 1.679 120.108 7.487 14010562 ?-?-? 1.555 120.139 7.484 51676732 ?-?-? 1.102 120.141 7.484 31635470 ?-?-? 1.011 120.138 7.483 35348656 ?-?-? 0.377 120.125 7.481 6162489 ?-?-? 0.377 114.319 7.822 7715449 ?-?-? 1.551 114.355 7.818 17163846 ?-?-? 1.301 114.265 7.817 4877792 ?-?-? 1.096 114.347 7.817 8921457 ?-?-? 0.961 114.349 7.816 25081236 ?-?-? 0.740 114.360 7.817 9541318 ?-?-? 0.646 114.353 7.817 9674509 ?-?-? 2.111 114.346 7.817 27245494 ?-?-? 1.895 114.320 7.819 9504192 ?-?-? 3.403 114.334 7.818 54839896 ?-?-? 3.117 114.344 7.818 62164512 ?-?-? 4.486 114.343 7.818 43050776 ?-?-? 4.232 114.340 7.817 22421110 ?-?-? 4.049 114.308 7.819 11255583 ?-?-? 6.407 114.368 7.813 7266690 ?-?-? 6.880 114.241 7.818 9555452 ?-?-? 8.447 114.341 7.822 8946669 ?-?-? 8.174 114.340 7.818 64309484 ?-?-? 7.820 114.343 7.817 310991808 ?-?-? 7.454 114.338 7.817 92906568 ?-?-? 8.441 117.305 8.171 5858494 ?-?-? 8.172 117.200 8.173 367155072 ?-?-? 7.821 117.185 8.174 68954400 ?-?-? 7.462 117.182 8.174 19065022 ?-?-? 5.622 117.248 8.172 6345107 ?-?-? 4.865 117.172 8.172 19847972 ?-?-? 4.480 117.205 8.174 90154872 ?-?-? 4.367 117.182 8.172 29971610 ?-?-? 4.237 117.169 8.176 8357903 ?-?-? 4.020 117.195 8.174 58602096 ?-?-? 3.890 117.218 8.174 34550916 ?-?-? 3.118 117.190 8.174 18185304 ?-?-? 3.445 117.214 8.174 33459454 ?-?-? 1.893 117.148 8.174 12078772 ?-?-? 1.302 117.217 8.174 34669120 ?-?-? 0.949 117.188 8.173 32137526 ?-?-? 1.303 113.045 7.948 21049240 ?-?-? 2.225 113.049 7.945 9478276 ?-?-? 1.901 113.053 7.946 12359494 ?-?-? 2.746 113.047 7.949 57406944 ?-?-? 2.477 113.048 7.949 40787236 ?-?-? 4.013 113.065 7.950 14581464 ?-?-? 3.852 113.042 7.949 49593792 ?-?-? 3.457 113.052 7.948 21216304 ?-?-? 4.489 113.067 7.949 14060156 ?-?-? 4.306 113.044 7.950 20797870 ?-?-? 6.344 113.043 7.945 12751401 ?-?-? 6.875 113.046 7.949 101061464 ?-?-? 7.217 113.056 7.948 21613216 ?-?-? 7.492 113.048 7.948 68699056 ?-?-? 7.948 113.045 7.948 334299072 ?-?-? 8.732 118.594 7.493 5489325 ?-?-? 7.948 118.668 7.492 65882008 ?-?-? 7.494 118.687 7.493 447775552 ?-?-? 7.216 118.666 7.492 51820036 ?-?-? 6.875 118.678 7.493 20337494 ?-?-? 5.000 118.676 7.490 33434460 ?-?-? 4.861 118.619 7.489 9400191 ?-?-? 4.301 118.667 7.491 13064629 ?-?-? 4.015 118.726 7.490 13830263 ?-?-? 3.851 118.688 7.491 25081902 ?-?-? 3.040 118.688 7.495 22283538 ?-?-? 2.813 118.670 7.494 41134732 ?-?-? 2.468 118.648 7.495 9837194 ?-?-? 2.228 118.544 7.494 5476162 ?-?-? 8.312 121.489 8.312 226348368 ?-?-? 8.739 121.536 8.309 7034221 ?-?-? 4.865 121.530 8.312 109609224 ?-?-? 4.407 121.549 8.311 15831699 ?-?-? 4.568 121.530 8.311 26151362 ?-?-? 3.909 121.537 8.313 6783716 ?-?-? 4.014 121.449 8.312 8424870 ?-?-? 3.029 121.560 8.311 7023216 ?-?-? 2.599 121.522 8.312 26725602 ?-?-? 2.385 121.542 8.312 25967562 ?-?-? 2.165 121.539 8.312 40449416 ?-?-? 1.994 112.857 7.764 6567804 ?-?-? 1.989 112.648 7.749 6018906 ?-?-? 2.603 112.570 7.744 27132298 ?-?-? 4.561 112.625 7.747 6588633 ?-?-? 4.865 112.600 7.744 127375016 ?-?-? 7.091 112.590 7.745 578436928 ?-?-? 7.747 112.586 7.745 993815296 ?-?-? 7.851 112.601 7.747 22537462 ?-?-? 7.748 112.589 7.089 540878912 ?-?-? 4.867 112.911 7.108 95093776 ?-?-? 4.865 112.633 7.091 89812200 ?-?-? 2.616 112.575 7.089 13769958 ?-?-? 1.608 117.368 7.282 19410048 ?-?-? 1.964 117.355 7.279 52622476 ?-?-? 2.064 117.352 7.279 42437728 ?-?-? 2.387 117.359 7.278 16795920 ?-?-? 3.496 117.371 7.276 5375202 ?-?-? 3.241 117.341 7.283 7244313 ?-?-? 3.009 117.351 7.280 14462855 ?-?-? 4.339 117.368 7.279 28564148 ?-?-? 4.516 117.380 7.283 12620919 ?-?-? 4.866 117.342 7.279 33883996 ?-?-? 7.281 117.352 7.280 255194320 ?-?-? 7.780 117.498 7.279 7931080 ?-?-? 8.189 117.364 7.278 60893516 ?-?-? 8.190 117.904 8.192 341051776 ?-?-? 7.779 117.910 8.191 39854596 ?-?-? 7.466 117.877 8.194 6946616 ?-?-? 7.282 117.909 8.191 59939716 ?-?-? 4.867 117.921 8.193 15901932 ?-?-? 4.333 117.907 8.192 13553189 ?-?-? 3.992 117.882 8.192 23067400 ?-?-? 3.880 117.894 8.192 43795560 ?-?-? 3.328 117.858 8.190 5611902 ?-?-? 3.035 117.974 8.193 6217310 ?-?-? 2.064 117.912 8.192 89558512 ?-?-? 1.993 117.914 8.192 90813200 ?-?-? 1.655 117.900 8.193 23362736 ?-?-? 1.937 117.821 7.777 111029880 ?-?-? 1.773 117.826 7.777 76631784 ?-?-? 1.553 117.829 7.776 43923596 ?-?-? 1.432 117.826 7.777 30377182 ?-?-? 3.098 117.836 7.779 16193997 ?-?-? 4.347 117.720 7.785 6101686 ?-?-? 4.139 117.824 7.777 96160592 ?-?-? 3.995 117.814 7.776 13898920 ?-?-? 3.883 117.830 7.778 23726138 ?-?-? 4.518 117.826 7.777 26002964 ?-?-? 4.865 117.832 7.777 50605372 ?-?-? 7.297 117.828 7.777 21429524 ?-?-? 7.463 117.827 7.777 64090520 ?-?-? 7.780 117.822 7.777 611423872 ?-?-? 8.190 117.817 7.778 52470032 ?-?-? 8.184 113.777 7.472 5297291 ?-?-? 7.830 113.819 7.465 89091272 ?-?-? 7.463 113.810 7.464 425037280 ?-?-? 7.304 113.823 7.466 69350216 ?-?-? 6.847 113.794 7.467 13589003 ?-?-? 4.527 113.821 7.464 47919236 ?-?-? 4.338 113.836 7.469 13649595 ?-?-? 4.135 113.805 7.463 27156878 ?-?-? 4.016 113.778 7.467 14541993 ?-?-? 3.882 113.817 7.470 12102363 ?-?-? 3.511 113.844 7.465 7947447 ?-?-? 3.200 113.829 7.466 44707592 ?-?-? 3.028 113.819 7.465 72783840 ?-?-? 1.543 113.802 7.468 19646432 ?-?-? 1.772 113.828 7.464 25437484 ?-?-? 1.937 113.817 7.467 27485008 ?-?-? 2.062 113.832 7.467 16093976 ?-?-? 0.436 113.825 7.469 10875100 ?-?-? 0.836 113.816 7.464 18855114 ?-?-? 0.439 122.898 7.832 13441331 ?-?-? 0.740 122.828 7.836 18467570 ?-?-? 0.974 123.171 7.840 36386368 ?-?-? 0.864 122.869 7.837 8880870 ?-?-? 1.227 122.791 7.836 9514998 ?-?-? 1.544 122.871 7.838 67125680 ?-?-? 2.083 122.912 7.838 68014216 ?-?-? 3.026 122.853 7.838 18047626 ?-?-? 3.205 122.843 7.839 12278713 ?-?-? 3.513 122.826 7.838 35902052 ?-?-? 3.882 122.859 7.838 31758324 ?-?-? 4.015 122.864 7.838 89151240 ?-?-? 4.137 122.848 7.835 12535426 ?-?-? 4.526 122.834 7.839 18337400 ?-?-? 7.304 122.856 7.837 12632762 ?-?-? 7.464 122.838 7.839 79178320 ?-?-? 7.844 123.219 7.841 726644416 ?-?-? 8.609 114.627 6.960 99577096 ?-?-? 6.959 114.631 6.960 350585408 ?-?-? 4.531 114.638 6.959 11484410 ?-?-? 4.206 114.639 6.960 37999172 ?-?-? 4.022 114.619 6.960 32805252 ?-?-? 3.878 114.620 6.962 9076161 ?-?-? 3.516 114.608 6.958 27984660 ?-?-? 3.248 114.596 6.959 9374289 ?-?-? 3.078 114.647 6.960 39488060 ?-?-? 2.971 114.643 6.960 59569984 ?-?-? 1.938 114.649 6.960 6228608 ?-?-? 2.224 114.590 6.965 10305283 ?-?-? 2.396 114.656 6.959 13284784 ?-?-? 1.228 114.641 6.961 40268276 ?-?-? 0.916 114.638 6.961 23935738 ?-?-? 0.443 123.546 8.606 6376492 ?-?-? 0.333 123.578 8.605 6533672 ?-?-? 0.914 123.593 8.608 50273356 ?-?-? 1.224 123.592 8.607 114327096 ?-?-? 1.406 123.581 8.611 9999198 ?-?-? 2.973 123.592 8.607 40040048 ?-?-? 3.078 123.596 8.607 26615656 ?-?-? 3.511 123.630 8.606 6900181 ?-?-? 4.207 123.578 8.607 21620858 ?-?-? 4.025 123.594 8.608 31256672 ?-?-? 3.875 123.587 8.607 48953548 ?-?-? 4.531 123.585 8.613 6237945 ?-?-? 6.959 123.588 8.607 106757744 ?-?-? 8.608 123.590 8.608 419606208 ?-?-? 8.504 117.237 8.502 665924800 ?-?-? 8.221 117.319 8.505 13954831 ?-?-? 7.638 117.316 8.501 5566884 ?-?-? 7.097 117.326 8.504 61425948 ?-?-? 6.951 117.612 8.466 5280218 ?-?-? 4.325 117.316 8.508 10880884 ?-?-? 4.113 117.277 8.503 66432644 ?-?-? 3.878 117.352 8.508 19459598 ?-?-? 3.037 117.242 8.501 9822773 ?-?-? 1.383 117.356 8.505 128274320 ?-?-? 1.337 117.354 8.505 134350672 ?-?-? 1.228 117.357 8.505 72938024 ?-?-? 1.106 117.331 8.503 9829164 ?-?-? 0.919 117.358 8.506 22206660 ?-?-? 0.646 117.352 8.505 21071590 ?-?-? 0.207 117.366 8.506 8145216 ?-?-? 0.346 117.359 8.505 36999772 ?-?-? 0.349 118.091 7.092 13779813 ?-?-? 0.649 118.024 7.096 6054820 ?-?-? 0.918 118.094 7.093 27511402 ?-?-? 1.400 118.085 7.092 96157424 ?-?-? 1.236 118.070 7.093 14781740 ?-?-? 1.099 118.119 7.096 11940169 ?-?-? 1.772 118.080 7.093 14822702 ?-?-? 2.227 118.089 7.095 11663125 ?-?-? 3.873 118.103 7.091 12151873 ?-?-? 4.115 118.089 7.092 79279680 ?-?-? 4.326 118.084 7.093 158574256 ?-?-? 5.580 118.082 7.091 32466678 ?-?-? 7.095 118.083 7.092 644935872 ?-?-? 7.622 118.075 7.093 14962091 ?-?-? 8.507 118.085 7.092 66977276 ?-?-? 8.233 118.086 7.092 78182288 ?-?-? 9.013 118.020 7.090 8234220 ?-?-? 4.710 124.984 8.238 79784360 ?-?-? 3.688 124.981 8.238 162072672 ?-?-? 9.001 120.410 8.998 555810624 ?-?-? 8.459 120.460 9.017 33821428 ?-?-? 8.233 120.440 9.015 42550132 ?-?-? 9.586 120.406 8.990 35584780 ?-?-? 7.664 120.428 8.990 9671490 ?-?-? 7.096 120.435 8.994 30514098 ?-?-? 6.954 120.424 9.010 28156730 ?-?-? 6.633 120.482 8.993 10889216 ?-?-? 4.991 120.424 8.989 19298084 ?-?-? 4.865 120.370 8.994 9760288 ?-?-? 4.659 120.403 8.991 163934048 ?-?-? 3.750 120.403 8.993 43275172 ?-?-? 3.879 120.503 9.014 9471488 ?-?-? 4.113 120.450 9.017 34698196 ?-?-? 4.223 120.526 9.018 16579739 ?-?-? 3.509 120.404 8.994 21579192 ?-?-? 3.412 120.463 9.017 49784204 ?-?-? 3.039 120.460 9.017 48583544 ?-?-? 2.227 120.442 9.012 48335256 ?-?-? 1.992 120.453 8.992 29639972 ?-?-? 1.772 120.512 9.018 34700172 ?-?-? 1.089 120.410 8.992 75479848 ?-?-? 0.953 120.501 9.018 16534126 ?-?-? 0.433 120.484 9.017 26703616 ?-?-? 0.354 120.534 9.015 13411968 ?-?-? 0.196 120.521 9.017 10946819 ?-?-? 0.362 116.678 8.450 6271936 ?-?-? 0.429 116.652 8.456 5239187 ?-?-? 0.728 116.800 8.465 5404648 ?-?-? 0.932 116.693 8.455 11828758 ?-?-? 2.349 116.746 8.455 66338988 ?-?-? 2.246 116.772 8.454 52318816 ?-?-? 2.617 116.758 8.454 31242986 ?-?-? 2.964 116.730 8.454 61415412 ?-?-? 3.411 116.766 8.456 33097692 ?-?-? 3.939 116.755 8.456 46363476 ?-?-? 4.334 116.767 8.456 29001032 ?-?-? 4.126 116.975 8.475 38030112 ?-?-? 4.586 116.798 8.455 14190612 ?-?-? 6.950 116.806 8.456 28323162 ?-?-? 7.941 116.740 8.455 40179440 ?-?-? 8.214 116.876 8.454 10572945 ?-?-? 8.463 116.796 8.460 439286880 ?-?-? 9.020 116.733 8.456 31929946 ?-?-? 9.696 116.977 8.480 5850112 ?-?-? 8.452 108.073 7.667 6942981 ?-?-? 8.346 108.108 7.663 4794762 ?-?-? 6.668 108.070 7.667 522206784 ?-?-? 2.960 108.041 7.667 18547936 ?-?-? 2.621 108.061 7.666 30489480 ?-?-? 2.367 108.050 7.666 4764407 ?-?-? 2.235 108.080 7.664 5640847 ?-?-? 1.679 108.046 7.666 16293189 ?-?-? 1.402 108.089 7.667 10599886 ?-?-? 0.934 108.038 7.665 4772158 ?-?-? 0.648 108.082 7.659 4643420 ?-?-? 0.368 108.034 7.666 6736256 ?-?-? 0.368 108.062 6.670 7218350 ?-?-? 0.935 108.102 6.666 6315812 ?-?-? 1.393 108.068 6.667 14610241 ?-?-? 1.679 108.069 6.669 26345202 ?-?-? 2.619 108.080 6.668 18496526 ?-?-? 2.960 108.084 6.665 14427319 ?-?-? 6.668 108.063 6.668 811751488 ?-?-? 7.670 108.078 6.668 527097856 ?-?-? 8.372 108.162 6.668 4636399 ?-?-? 9.023 106.184 7.939 7599344 ?-?-? 8.458 106.157 7.942 51163104 ?-?-? 8.239 106.129 7.947 6026767 ?-?-? 7.942 106.159 7.941 490645344 ?-?-? 7.428 106.168 7.941 66118528 ?-?-? 6.965 106.148 7.942 12819769 ?-?-? 4.155 106.161 7.942 133750640 ?-?-? 3.941 106.153 7.943 25965434 ?-?-? 2.245 106.146 7.941 23454070 ?-?-? 2.346 106.169 7.941 25332302 ?-?-? 2.715 106.149 7.940 16886380 ?-?-? 2.619 106.161 7.936 10329323 ?-?-? 2.967 106.131 7.945 7748075 ?-?-? 1.096 106.164 7.944 8233351 ?-?-? 0.940 106.137 7.937 9692611 ?-?-? 0.727 106.149 7.940 7923340 ?-?-? 0.728 113.278 7.426 29682906 ?-?-? 0.940 113.309 7.421 6016940 ?-?-? 1.233 113.281 7.428 36832288 ?-?-? 2.244 113.360 7.431 5597416 ?-?-? 2.713 113.289 7.427 167464704 ?-?-? 3.692 113.300 7.427 27510778 ?-?-? 3.952 113.283 7.429 15291747 ?-?-? 4.025 113.284 7.427 25941676 ?-?-? 4.148 113.293 7.428 35168048 ?-?-? 4.587 113.314 7.428 17172994 ?-?-? 6.968 113.263 7.427 34377184 ?-?-? 7.428 113.289 7.428 426406432 ?-?-? 7.860 113.322 7.428 32758856 ?-?-? 7.941 113.278 7.426 64871208 ?-?-? 8.453 113.291 7.426 6929236 ?-?-? 8.997 112.931 6.970 17298668 ?-?-? 7.429 112.884 6.966 57589572 ?-?-? 4.653 112.877 6.965 83981112 ?-?-? 4.979 112.841 6.966 14606024 ?-?-? 4.152 112.874 6.964 28028650 ?-?-? 4.034 112.906 6.960 19891204 ?-?-? 3.742 112.870 6.966 42669960 ?-?-? 3.511 112.895 6.966 55709868 ?-?-? 2.243 112.870 6.958 17711966 ?-?-? 2.713 112.877 6.965 44787736 ?-?-? 1.171 112.871 6.965 15967137 ?-?-? 1.099 112.862 6.964 23840262 ?-?-? 1.101 124.108 7.658 77763824 ?-?-? 1.474 124.112 7.659 43032072 ?-?-? 2.377 124.117 7.661 33215530 ?-?-? 2.259 124.108 7.659 33311232 ?-?-? 2.134 124.105 7.658 41470640 ?-?-? 4.680 124.113 7.658 186313360 ?-?-? 5.092 124.122 7.658 38561604 ?-?-? 7.029 124.106 7.654 8850221 ?-?-? 8.989 124.312 7.647 8203786 ?-?-? 9.592 108.866 7.021 10354146 ?-?-? 8.491 108.869 7.023 42636428 ?-?-? 8.364 108.843 7.023 15012013 ?-?-? 7.025 108.868 7.023 578409408 ?-?-? 7.450 108.862 7.026 16117013 ?-?-? 7.661 108.890 7.023 13471646 ?-?-? 5.091 108.868 7.023 189371120 ?-?-? 4.918 108.866 7.025 13337253 ?-?-? 4.711 108.863 7.024 32831948 ?-?-? 4.283 108.866 7.023 48539552 ?-?-? 3.256 108.870 7.022 42929332 ?-?-? 2.317 108.883 7.024 14821859 ?-?-? 2.132 108.879 7.024 41084652 ?-?-? 2.005 108.872 7.024 29472378 ?-?-? 1.192 108.879 7.023 9997673 ?-?-? 1.089 108.879 7.024 22870166 ?-?-? 1.195 115.835 8.354 20725594 ?-?-? 2.576 115.855 8.355 5357486 ?-?-? 3.255 115.847 8.354 100571200 ?-?-? 3.696 115.845 8.354 32866012 ?-?-? 3.597 115.846 8.354 35485048 ?-?-? 4.280 115.843 8.355 105145496 ?-?-? 4.910 115.842 8.353 14267011 ?-?-? 5.251 115.844 8.356 15021413 ?-?-? 5.106 115.844 8.353 45185424 ?-?-? 7.132 115.813 8.355 13238340 ?-?-? 6.979 115.846 8.355 21493670 ?-?-? 7.445 115.838 8.354 39652696 ?-?-? 8.356 115.845 8.354 602139968 ?-?-? 9.116 115.882 8.356 6274000 ?-?-? 9.697 115.827 8.357 10657663 ?-?-? 9.689 126.826 9.685 444895456 ?-?-? 9.201 126.748 9.678 12840253 ?-?-? 8.748 126.921 9.697 29238770 ?-?-? 8.328 126.790 9.680 20542956 ?-?-? 8.481 126.923 9.700 6876318 ?-?-? 7.616 126.778 9.678 5990499 ?-?-? 7.442 126.842 9.689 12669040 ?-?-? 7.134 126.916 9.695 25874652 ?-?-? 5.106 126.922 9.696 98532672 ?-?-? 4.882 126.768 9.679 100904816 ?-?-? 3.700 126.915 9.691 12206454 ?-?-? 3.600 126.927 9.695 17061430 ?-?-? 2.082 126.929 9.695 45302136 ?-?-? 1.869 126.896 9.694 15382762 ?-?-? 1.781 126.893 9.693 12950099 ?-?-? 1.444 126.882 9.695 6306703 ?-?-? 0.778 130.807 8.589 8739193 ?-?-? 2.098 130.819 8.589 19840636 ?-?-? 1.779 130.809 8.591 20735718 ?-?-? 1.408 130.811 8.590 164367776 ?-?-? 2.546 130.796 8.589 6678254 ?-?-? 5.193 130.806 8.590 160421088 ?-?-? 4.863 130.827 8.590 33631376 ?-?-? 4.376 130.809 8.590 48610064 ?-?-? 8.265 130.819 8.593 14204176 ?-?-? 8.591 130.807 8.590 492697792 ?-?-? 9.703 130.763 8.588 6680486 ?-?-? 8.749 122.577 8.264 20351168 ?-?-? 8.583 122.579 8.267 17360684 ?-?-? 4.867 122.546 8.264 35926876 ?-?-? 4.125 122.553 8.261 61406396 ?-?-? 3.918 122.600 8.265 5645896 ?-?-? 1.849 122.564 8.264 93675872 ?-?-? 2.069 122.570 8.267 12047216 ?-?-? 2.166 122.571 8.261 20766834 ?-?-? 1.408 122.567 8.264 102175088 ?-?-? 0.791 122.561 8.263 100341760 ?-?-? 0.776 127.013 8.753 54758956 ?-?-? 1.415 127.056 8.749 6488050 ?-?-? 1.989 127.025 8.752 164642720 ?-?-? 1.853 127.023 8.752 33476870 ?-?-? 2.279 127.026 8.753 36845152 ?-?-? 4.125 127.027 8.752 260425168 ?-?-? 4.865 127.023 8.752 118475168 ?-?-? 8.261 127.016 8.751 12857536 ?-?-? 8.751 127.026 8.752 501033088 ?-?-? 8.944 114.091 8.941 35865808 ?-?-? 7.817 114.120 8.938 14025693 ?-?-? 4.866 114.086 8.941 92306224 ?-?-? 4.129 114.088 8.941 77053832 ?-?-? 3.844 114.076 8.941 28752070 ?-?-? 2.278 114.115 8.943 9301629 ?-?-? 1.991 114.095 8.940 12389806 ?-?-? 0.776 107.421 7.815 59496052 ?-?-? 1.989 107.422 7.812 11628006 ?-?-? 1.851 107.436 7.818 17367648 ?-?-? 1.410 107.604 7.856 3911685 ?-?-? 1.412 107.433 7.812 10196923 ?-?-? 4.476 107.425 7.815 98024064 ?-?-? 4.126 107.419 7.815 65092464 ?-?-? 3.845 107.438 7.816 34232604 ?-?-? 3.687 107.425 7.816 112263120 ?-?-? 4.865 107.431 7.815 71785632 ?-?-? 7.817 107.422 7.815 1270418560 ?-?-? 8.243 107.418 7.815 31274394 ?-?-? 8.942 107.415 7.815 24773702 ?-?-? 8.746 107.387 7.811 5374344 ?-?-? 9.019 124.793 8.235 38250960 ?-?-? 8.238 124.906 8.238 1623706240 ?-?-? 7.817 124.993 8.237 18484228 ?-?-? 7.095 124.793 8.233 57527712 ?-?-? 4.867 124.959 8.239 55695132 ?-?-? 4.474 124.965 8.238 144597408 ?-?-? 4.228 124.787 8.235 57994116 ?-?-? 3.881 124.856 8.235 40050684 ?-?-? 2.220 124.790 8.234 62898776 ?-?-? 1.768 124.793 8.234 78227960 ?-?-? 1.419 124.969 8.238 241545280 ?-?-? 1.099 124.795 8.233 43575804 ?-?-? 0.928 124.794 8.233 49226760 ?-?-? 0.777 124.992 8.236 24211172 ?-?-? 0.785 122.187 8.746 35213636 ?-?-? 1.418 122.257 8.750 8872264 ?-?-? 1.189 122.167 8.745 39368548 ?-?-? 2.161 122.170 8.746 33315674 ?-?-? 2.075 122.166 8.746 29615674 ?-?-? 1.865 122.169 8.746 60158940 ?-?-? 1.786 122.177 8.746 56233416 ?-?-? 3.697 122.157 8.743 9304076 ?-?-? 3.597 122.199 8.748 6171254 ?-?-? 4.376 122.198 8.746 13258323 ?-?-? 5.205 122.156 8.747 6611349 ?-?-? 5.105 122.153 8.744 10857470 ?-?-? 4.867 122.168 8.746 97586672 ?-?-? 4.636 122.165 8.747 38160824 ?-?-? 8.263 122.344 8.743 12354723 ?-?-? 8.746 122.169 8.746 467605376 ?-?-? 9.102 122.196 8.750 10026485 ?-?-? 9.702 122.157 8.747 27937022 ?-?-? 9.493 124.913 9.103 10635641 ?-?-? 9.103 124.900 9.100 717978048 ?-?-? 8.745 124.933 9.101 10737841 ?-?-? 8.488 124.903 9.098 11344526 ?-?-? 5.107 124.901 9.100 11580976 ?-?-? 4.918 124.909 9.100 52867328 ?-?-? 4.633 124.902 9.100 293399264 ?-?-? 4.128 124.899 9.100 72462248 ?-?-? 2.568 124.876 9.102 8509307 ?-?-? 1.872 124.895 9.101 17771402 ?-?-? 1.769 124.888 9.104 17353824 ?-?-? 1.180 124.898 9.100 65743912 ?-?-? 0.769 124.895 9.101 11489316 ?-?-? 5.104 117.053 8.488 56799860 ?-?-? 4.921 117.051 8.489 160521104 ?-?-? 5.891 117.032 8.490 28043372 ?-?-? 7.026 117.081 8.490 43906408 ?-?-? 7.456 117.094 8.490 6679340 ?-?-? 9.100 117.062 8.485 10533840 ?-?-? 9.579 118.906 8.403 9145078 ?-?-? 8.410 118.933 8.405 307031488 ?-?-? 7.139 118.933 8.404 25123756 ?-?-? 5.890 118.931 8.405 90429952 ?-?-? 5.712 118.927 8.404 15720925 ?-?-? 5.419 118.856 8.403 7270252 ?-?-? 5.099 118.960 8.409 5490766 ?-?-? 4.713 118.936 8.405 26029718 ?-?-? 3.048 118.932 8.406 26239410 ?-?-? 2.708 118.927 8.404 38766672 ?-?-? 2.131 118.928 8.404 50934520 ?-?-? 1.975 118.930 8.408 9497889 ?-?-? 1.583 118.859 8.407 6863158 ?-?-? 1.084 118.925 8.404 31197520 ?-?-? 0.706 118.882 8.400 6895882 ?-?-? 0.406 118.977 8.399 4374487 ?-?-? 1.022 132.850 9.584 41256832 ?-?-? 2.308 132.799 9.583 6401400 ?-?-? 2.132 132.865 9.582 13284304 ?-?-? 1.991 132.852 9.584 50641736 ?-?-? 5.091 132.839 9.585 22056114 ?-?-? 4.711 132.846 9.584 111595432 ?-?-? 6.193 132.857 9.582 17246572 ?-?-? 7.452 132.848 9.579 5982018 ?-?-? 7.133 132.835 9.583 22546036 ?-?-? 8.407 132.807 9.579 9012823 ?-?-? 8.995 132.851 9.582 22473066 ?-?-? 9.585 132.847 9.584 266515024 ?-?-? 9.663 115.834 9.662 382101312 ?-?-? 8.419 115.802 9.661 5549882 ?-?-? 8.246 115.808 9.661 7668451 ?-?-? 7.484 115.816 9.664 12263362 ?-?-? 7.101 115.829 9.665 5258441 ?-?-? 6.191 115.834 9.662 145226672 ?-?-? 5.402 115.839 9.663 27423210 ?-?-? 4.989 115.839 9.663 26183506 ?-?-? 4.864 115.841 9.664 9952181 ?-?-? 4.652 115.856 9.662 6618312 ?-?-? 4.100 115.825 9.662 20085966 ?-?-? 3.124 115.870 9.665 10570702 ?-?-? 3.397 115.846 9.661 11111343 ?-?-? 1.990 115.836 9.663 46488564 ?-?-? 1.459 115.855 9.663 9577431 ?-?-? 1.180 115.835 9.662 24221866 ?-?-? 1.023 115.814 9.670 6276150 ?-?-? 0.702 115.829 9.664 7748423 ?-?-? 0.065 115.850 9.665 22347350 ?-?-? 1.179 121.328 8.238 41677812 ?-?-? 2.711 121.337 8.241 16285993 ?-?-? 3.707 121.356 8.244 11642412 ?-?-? 3.512 121.330 8.245 7572612 ?-?-? 3.388 121.325 8.246 12196000 ?-?-? 3.275 121.307 8.239 9054058 ?-?-? 4.096 121.332 8.241 44390572 ?-?-? 4.654 121.328 8.244 29034950 ?-?-? 4.988 121.326 8.240 142346368 ?-?-? 5.350 121.380 8.241 5553046 ?-?-? 6.046 121.323 8.237 31119734 ?-?-? 6.848 121.302 8.235 6019974 ?-?-? 7.648 121.556 8.259 4382840 ?-?-? 7.635 121.342 8.234 7042364 ?-?-? 7.485 121.330 8.238 23667350 ?-?-? 8.237 121.329 8.240 506955872 ?-?-? 9.664 121.239 8.239 7069836 ?-?-? 9.023 132.106 11.229 5570080 ?-?-? 7.854 132.116 11.234 46024248 ?-?-? 7.429 132.113 11.233 30130456 ?-?-? 7.134 132.126 11.237 10759705 ?-?-? 6.951 132.107 11.233 34431092 ?-?-? 6.852 132.108 11.233 74070584 ?-?-? 6.630 132.087 11.233 7962238 ?-?-? 6.057 132.112 11.232 8796701 ?-?-? 4.585 132.112 11.233 76868304 ?-?-? 4.024 132.084 11.234 5566183 ?-?-? 3.943 132.110 11.237 5801682 ?-?-? 3.399 132.090 11.225 6160128 ?-?-? 3.694 132.114 11.231 6531760 ?-?-? 2.712 132.110 11.233 47842164 ?-?-? 3.034 132.116 11.231 7643884 ?-?-? 1.232 132.110 11.233 267011296 ?-?-? 0.436 132.098 11.232 10344594 ?-?-? 0.728 132.113 11.234 33941620 ?-?-? 0.941 132.100 11.234 8368625 ?-?-? 0.828 110.009 7.631 12083176 ?-?-? 1.415 109.997 7.630 57341252 ?-?-? 1.936 110.015 7.629 9113989 ?-?-? 3.396 109.997 7.629 44195224 ?-?-? 3.265 110.015 7.631 30271162 ?-?-? 4.583 110.045 7.630 14725581 ?-?-? 4.502 110.023 7.631 39415808 ?-?-? 4.413 110.042 7.631 17630012 ?-?-? 4.997 110.107 7.624 7383709 ?-?-? 5.352 110.025 7.631 15781526 ?-?-? 6.852 109.929 7.629 13611745 ?-?-? 6.426 109.992 7.629 32671372 ?-?-? 6.047 110.003 7.630 81363840 ?-?-? 7.631 109.995 7.630 266676736 ?-?-? 8.070 109.997 7.628 27913048 ?-?-? 8.337 109.952 7.632 8134764 ?-?-? 9.686 122.546 8.348 11784986 ?-?-? 8.347 122.543 8.345 504896416 ?-?-? 7.622 122.533 8.345 9974381 ?-?-? 4.502 122.540 8.346 202287504 ?-?-? 4.401 122.542 8.345 83723448 ?-?-? 1.940 122.545 8.346 116811520 ?-?-? 1.415 122.545 8.345 53423496 ?-?-? 0.934 122.543 8.346 32214748 ?-?-? 0.729 122.547 8.346 77679288 ?-?-? 0.728 123.064 9.684 20734834 ?-?-? 0.936 123.074 9.685 40738096 ?-?-? 1.423 123.082 9.686 34839944 ?-?-? 1.940 123.060 9.685 11160100 ?-?-? 3.816 123.086 9.687 6576976 ?-?-? 4.125 123.080 9.690 6732738 ?-?-? 5.019 123.073 9.684 26474360 ?-?-? 4.577 123.073 9.685 156843648 ?-?-? 7.132 123.075 9.685 45172588 ?-?-? 7.447 123.093 9.685 13194173 ?-?-? 8.341 123.091 9.679 7998408 ?-?-? 9.218 123.073 9.685 51726840 ?-?-? 9.687 123.072 9.685 306724640 ?-?-? 8.998 119.711 8.994 493669344 ?-?-? 7.612 119.629 8.991 13497155 ?-?-? 7.433 119.702 8.992 10694461 ?-?-? 4.550 119.692 8.993 22065762 ?-?-? 5.101 119.684 8.993 39038368 ?-?-? 3.971 119.687 8.995 25148980 ?-?-? 3.809 119.746 8.995 21836428 ?-?-? 3.026 119.703 8.992 32115614 ?-?-? 2.819 119.656 8.995 22755196 ?-?-? 2.450 119.780 8.993 19456952 ?-?-? 2.278 119.692 8.994 40564312 ?-?-? 2.070 119.683 8.994 33195210 ?-?-? 1.616 119.691 8.993 33080222 ?-?-? 1.773 119.705 8.994 111237672 ?-?-? 0.994 119.702 8.994 63054256 ?-?-? 0.987 112.197 7.431 32281124 ?-?-? 1.345 112.197 7.432 32808450 ?-?-? 1.506 112.207 7.433 150355456 ?-?-? 1.615 112.221 7.433 35299380 ?-?-? 1.779 112.219 7.432 37400388 ?-?-? 3.312 112.198 7.431 12571323 ?-?-? 4.101 112.235 7.431 11616828 ?-?-? 3.805 112.203 7.433 22078254 ?-?-? 4.618 112.199 7.432 51591028 ?-?-? 5.104 112.170 7.432 11131075 ?-?-? 7.615 112.241 7.433 64383532 ?-?-? 7.434 112.222 7.433 495251136 ?-?-? 8.987 112.139 7.430 6002121 ?-?-? 9.684 119.590 7.609 7123496 ?-?-? 9.003 119.571 7.612 20510516 ?-?-? 8.293 119.606 7.611 17071184 ?-?-? 7.434 119.587 7.611 89292632 ?-?-? 7.614 119.582 7.611 589211200 ?-?-? 7.048 119.587 7.612 18754872 ?-?-? 4.650 119.585 7.611 85180768 ?-?-? 4.105 119.570 7.614 10777978 ?-?-? 3.028 119.583 7.611 76977368 ?-?-? 2.820 119.583 7.611 53706668 ?-?-? 1.506 119.589 7.610 41696636 ?-?-? 1.610 119.581 7.609 21170746 ?-?-? 1.792 119.585 7.610 34155728 ?-?-? 0.998 119.582 7.611 20956262 ?-?-? 0.842 113.872 8.292 10564941 ?-?-? 1.500 114.084 8.271 4501412 ?-?-? 1.423 113.926 8.289 15120972 ?-?-? 1.679 113.900 8.292 38010492 ?-?-? 2.824 113.912 8.292 61646216 ?-?-? 3.025 113.908 8.290 33335352 ?-?-? 2.570 113.875 8.297 79725336 ?-?-? 4.666 113.912 8.291 152068496 ?-?-? 4.973 113.910 8.290 28586712 ?-?-? 4.866 113.831 8.306 46023756 ?-?-? 4.420 113.853 8.301 15309775 ?-?-? 4.262 113.822 8.308 29093620 ?-?-? 6.930 113.822 8.303 16069209 ?-?-? 7.686 113.817 8.308 58599208 ?-?-? 8.301 113.868 8.299 635138816 ?-?-? 8.466 113.816 8.309 88008480 ?-?-? 9.687 120.407 9.195 10984360 ?-?-? 9.032 120.414 9.199 37311536 ?-?-? 9.200 120.407 9.199 329419680 ?-?-? 8.286 120.404 9.199 9319033 ?-?-? 6.430 120.388 9.199 6765964 ?-?-? 5.425 120.406 9.199 9456411 ?-?-? 4.974 120.408 9.200 108771352 ?-?-? 4.590 120.408 9.201 28476504 ?-?-? 4.502 120.398 9.198 23940552 ?-?-? 2.676 120.426 9.200 6304310 ?-?-? 2.567 120.441 9.200 6953067 ?-?-? 1.938 120.396 9.199 27974914 ?-?-? 1.681 120.413 9.201 35612832 ?-?-? 1.415 120.371 9.202 10539871 ?-?-? 0.827 120.404 9.199 75248624 ?-?-? 1.932 128.185 8.073 36377728 ?-?-? 1.608 128.170 8.074 26879798 ?-?-? 1.414 128.178 8.074 34106112 ?-?-? 1.192 128.196 8.078 6624474 ?-?-? 0.835 128.181 8.072 24388924 ?-?-? 3.390 128.208 8.073 5942444 ?-?-? 4.404 128.178 8.074 12453431 ?-?-? 4.589 128.186 8.073 99322328 ?-?-? 5.014 128.167 8.072 21033788 ?-?-? 4.866 128.174 8.073 22314204 ?-?-? 6.051 128.179 8.074 9696989 ?-?-? 6.424 128.213 8.071 21695090 ?-?-? 7.632 128.174 8.072 26173860 ?-?-? 8.071 128.176 8.074 239075264 ?-?-? 9.331 128.656 9.335 316166528 ?-?-? 8.778 128.644 9.335 27921532 ?-?-? 9.030 128.692 9.337 5985531 ?-?-? 8.069 128.622 9.338 7158668 ?-?-? 5.015 128.640 9.336 118966128 ?-?-? 2.785 128.638 9.336 39391700 ?-?-? 2.120 128.648 9.337 34153248 ?-?-? 1.721 128.649 9.344 6103644 ?-?-? 1.612 128.643 9.337 12814857 ?-?-? 1.405 128.651 9.337 21216830 ?-?-? 1.192 128.662 9.339 13063438 ?-?-? 0.811 128.638 9.336 32824352 ?-?-? 0.062 129.730 10.061 193683456 ?-?-? 1.184 129.704 10.065 3835926 ?-?-? 1.457 129.758 10.062 16992026 ?-?-? 2.123 129.739 10.060 10412704 ?-?-? 2.767 129.811 10.062 5546361 ?-?-? 3.397 129.717 10.061 38934040 ?-?-? 3.268 129.747 10.064 13129945 ?-?-? 3.127 129.753 10.062 29043672 ?-?-? 5.522 129.740 10.065 20617268 ?-?-? 5.353 129.726 10.061 77224864 ?-?-? 6.048 129.727 10.062 19738780 ?-?-? 9.662 129.713 10.060 17291188 ?-?-? 9.358 129.772 10.054 8717015 ?-?-? 9.351 127.629 9.351 370371488 ?-?-? 8.968 127.622 9.351 30168382 ?-?-? 8.783 127.604 9.350 7661659 ?-?-? 8.429 127.633 9.351 6783340 ?-?-? 7.122 127.711 9.353 7087755 ?-?-? 6.205 127.591 9.351 5439352 ?-?-? 5.760 127.616 9.350 23226140 ?-?-? 5.523 127.629 9.351 142291680 ?-?-? 5.413 127.624 9.350 30069142 ?-?-? 5.247 127.608 9.353 10354553 ?-?-? 4.864 127.599 9.352 5016010 ?-?-? 3.126 127.643 9.351 17200178 ?-?-? 3.392 127.619 9.353 12009466 ?-?-? 2.459 127.572 9.361 7599536 ?-?-? 2.157 127.676 9.350 11169488 ?-?-? 1.936 127.597 9.349 9102247 ?-?-? 1.451 127.625 9.351 57431524 ?-?-? 1.110 127.606 9.360 11675393 ?-?-? 0.702 127.658 9.358 11849530 ?-?-? 0.530 127.634 9.348 8218806 ?-?-? 0.409 127.674 9.354 4820812 ?-?-? 0.411 121.307 8.434 10509911 ?-?-? 0.705 121.330 8.433 13793753 ?-?-? 1.093 121.423 8.439 11814671 ?-?-? 1.583 121.326 8.433 23959492 ?-?-? 1.446 121.343 8.437 25265828 ?-?-? 2.137 121.332 8.434 42194324 ?-?-? 1.958 121.333 8.435 34035828 ?-?-? 2.470 121.299 8.439 6999185 ?-?-? 5.408 121.321 8.434 140600496 ?-?-? 5.886 121.358 8.436 5422882 ?-?-? 6.191 121.312 8.434 24026544 ?-?-? 7.138 121.343 8.429 6164573 ?-?-? 8.435 121.315 8.434 343369600 ?-?-? 9.306 121.312 8.434 8490576 ?-?-? 9.662 121.352 8.432 6085392 ?-?-? 7.267 110.519 7.265 274056512 ?-?-? 7.267 110.547 6.946 247200720 ?-?-? 6.948 110.549 7.265 244853328 ?-?-? 6.948 110.511 6.946 354556032 ?-?-? 4.862 110.523 7.263 11257445 ?-?-? 4.863 110.595 6.947 9095261 ?-?-? 4.304 110.555 7.269 7130710 ?-?-? 4.315 110.385 6.944 7001975 ?-?-? 4.044 110.536 7.265 27714840 ?-?-? 4.045 110.532 6.947 24553100 ?-?-? 2.479 110.535 7.264 18747280 ?-?-? 2.479 110.546 6.944 12803498 ?-?-? 2.145 110.591 6.945 7647089 ?-?-? 2.137 110.537 7.268 6681246 ?-?-? 1.936 110.576 6.945 12271578 ?-?-? 1.920 110.506 7.264 14503215 ?-?-? 1.696 110.573 6.938 4476394 ?-?-? 1.514 110.556 7.264 11312987 ?-?-? 1.510 110.570 6.947 12550142 ?-?-? 1.107 110.598 6.944 12997955 ?-?-? 1.102 110.547 7.264 13256213 ?-?-? 4.306 110.559 6.948 4460086 ?-?-? 0.405 128.851 9.291 5099960 ?-?-? 1.092 128.840 9.294 20395208 ?-?-? 2.478 128.854 9.296 40098704 ?-?-? 3.391 128.853 9.295 36664984 ?-?-? 3.261 128.856 9.296 24443026 ?-?-? 5.249 128.846 9.294 14998722 ?-?-? 5.468 128.851 9.296 94421408 ?-?-? 5.733 128.670 9.316 8037302 ?-?-? 5.716 128.863 9.294 16101820 ?-?-? 6.840 128.900 9.290 6233857 ?-?-? 7.656 128.847 9.295 23806370 ?-?-? 8.432 128.841 9.295 6879158 ?-?-? 9.296 128.842 9.299 252307328 ?-?-? 9.498 118.468 9.501 189465776 ?-?-? 9.281 118.459 9.505 6160736 ?-?-? 9.139 118.477 9.502 19682014 ?-?-? 8.425 118.547 9.498 7271764 ?-?-? 7.652 118.529 9.498 9226685 ?-?-? 5.890 118.487 9.503 18685450 ?-?-? 5.712 118.463 9.501 69484872 ?-?-? 4.599 118.468 9.500 82118232 ?-?-? 2.573 118.471 9.500 20918204 ?-?-? 3.054 118.512 9.506 6139632 ?-?-? 3.370 118.462 9.501 20752386 ?-?-? 3.259 118.472 9.500 17131700 ?-?-? 1.176 118.460 9.499 17658480 ?-?-? 1.095 112.840 9.147 8149728 ?-?-? 1.907 112.827 9.146 18765234 ?-?-? 2.551 112.848 9.145 12691856 ?-?-? 2.489 112.823 9.145 14399721 ?-?-? 2.808 112.841 9.147 29731666 ?-?-? 3.077 112.845 9.148 31781068 ?-?-? 3.343 112.837 9.147 15856428 ?-?-? 4.866 112.832 9.147 19372648 ?-?-? 4.598 112.843 9.145 54132584 ?-?-? 4.313 112.840 9.147 194931344 ?-?-? 5.892 112.806 9.143 4966628 ?-?-? 5.714 112.817 9.146 9050752 ?-?-? 8.074 112.848 9.147 54889708 ?-?-? 9.498 112.848 9.146 30162356 ?-?-? 9.148 112.841 9.146 521973600 ?-?-? 7.635 113.069 7.633 911170304 ?-?-? 6.877 113.084 7.633 658105344 ?-?-? 4.865 113.030 7.633 18132854 ?-?-? 4.319 113.050 7.634 7585898 ?-?-? 3.077 113.068 7.631 20578750 ?-?-? 2.811 113.073 7.632 39773452 ?-?-? 3.080 113.100 6.878 15108346 ?-?-? 2.809 113.056 6.877 21754334 ?-?-? 4.598 113.113 6.880 6260001 ?-?-? 4.603 113.070 7.636 4576470 ?-?-? 4.869 113.085 6.879 14985357 ?-?-? 5.690 113.088 6.876 8299546 ?-?-? 7.635 113.083 6.877 715205248 ?-?-? 6.877 113.085 6.877 1081130112 ?-?-? 9.147 118.653 8.078 52294120 ?-?-? 8.901 118.708 8.079 14605942 ?-?-? 8.071 118.651 8.076 580721280 ?-?-? 7.845 118.602 8.076 10317347 ?-?-? 4.816 118.647 8.078 61116684 ?-?-? 4.312 118.656 8.079 57056260 ?-?-? 3.321 118.647 8.078 90015880 ?-?-? 3.088 118.656 8.075 17354468 ?-?-? 2.806 118.630 8.078 17475676 ?-?-? 2.505 118.648 8.078 100710288 ?-?-? 1.900 118.656 8.077 30597480 ?-?-? 1.087 118.687 8.076 15140484 ?-?-? 1.510 128.509 8.905 162227872 ?-?-? 2.502 128.510 8.904 17584374 ?-?-? 3.325 128.489 8.906 9315437 ?-?-? 4.294 128.523 8.909 5710089 ?-?-? 4.043 128.515 8.904 61475052 ?-?-? 4.809 128.509 8.905 203011664 ?-?-? 7.851 128.534 8.900 9169010 ?-?-? 7.600 128.528 8.900 6356765 ?-?-? 7.265 128.553 8.899 6052322 ?-?-? 6.952 128.507 8.899 5708624 ?-?-? 8.078 128.481 8.904 12885156 ?-?-? 8.905 128.512 8.905 544358016 ?-?-? 8.875 116.094 8.873 799074432 ?-?-? 7.845 116.099 8.872 127505672 ?-?-? 4.810 116.095 8.873 26569274 ?-?-? 4.285 116.096 8.872 89098800 ?-?-? 4.042 116.095 8.873 33710936 ?-?-? 3.320 116.116 8.876 10341569 ?-?-? 2.100 116.094 8.872 109755032 ?-?-? 2.215 116.103 8.873 65505240 ?-?-? 2.302 116.101 8.872 53456064 ?-?-? 2.448 116.101 8.873 59411592 ?-?-? 1.620 116.122 8.874 18462876 ?-?-? 1.510 116.098 8.873 61624652 ?-?-? 1.094 116.148 8.876 8872512 ?-?-? 0.979 116.100 8.871 8238513 ?-?-? 1.091 123.293 7.844 38238696 ?-?-? 2.211 123.210 7.841 26316166 ?-?-? 1.888 123.278 7.845 35184560 ?-?-? 1.620 123.280 7.843 72486328 ?-?-? 2.482 123.299 7.844 78194384 ?-?-? 3.318 123.284 7.844 26482242 ?-?-? 4.285 123.289 7.842 45511184 ?-?-? 4.751 123.291 7.844 52744604 ?-?-? 6.868 123.291 7.842 30750922 ?-?-? 8.876 123.295 7.843 139689344 ?-?-? 9.290 123.353 7.847 6028463 ?-?-? 8.965 113.661 6.867 8882308 ?-?-? 7.842 113.661 6.867 23558440 ?-?-? 5.255 113.711 6.870 32961730 ?-?-? 4.749 113.681 6.871 128310336 ?-?-? 4.280 113.691 6.867 10422604 ?-?-? 3.842 113.685 6.871 49643664 ?-?-? 2.499 113.605 6.875 10453190 ?-?-? 1.886 113.699 6.874 13567881 ?-?-? 1.617 113.631 6.875 8242774 ?-?-? 1.100 113.728 6.872 28923710 ?-?-? 0.978 113.740 6.873 24106452 ?-?-? 1.105 123.904 8.965 47543572 ?-?-? 1.452 123.905 8.966 12256513 ?-?-? 1.937 123.864 8.967 7684863 ?-?-? 2.148 123.867 8.965 5278748 ?-?-? 2.448 123.905 8.965 33462352 ?-?-? 3.107 123.900 8.964 20807240 ?-?-? 3.841 123.899 8.964 19175314 ?-?-? 4.848 123.884 8.964 25478682 ?-?-? 5.476 123.913 8.964 24560882 ?-?-? 5.253 123.904 8.965 141073232 ?-?-? 6.858 123.919 8.962 14212650 ?-?-? 7.121 123.890 8.966 45937568 ?-?-? 8.787 123.949 8.971 10966306 ?-?-? 8.968 123.897 8.965 356051648 ?-?-? 9.349 123.915 8.965 37769752 ?-?-? 8.968 120.075 8.782 20124404 ?-?-? 8.784 120.147 8.783 814104192 ?-?-? 7.125 120.066 8.782 20510494 ?-?-? 4.845 120.068 8.781 127765656 ?-?-? 3.111 120.076 8.782 42584580 ?-?-? 2.446 120.056 8.780 21982072 ?-?-? 2.153 120.215 8.783 43699960 ?-?-? 1.928 120.157 8.782 86600904 ?-?-? 1.205 120.141 8.780 8593589 ?-?-? 0.533 120.165 8.783 26109878 ?-?-? 0.655 120.292 8.789 14807650 ?-?-? 0.926 120.382 8.792 10439948 ?-?-? 0.799 120.347 8.785 74471584 ?-?-? 1.428 120.353 8.791 9071139 ?-?-? 1.714 120.326 8.788 21769334 ?-?-? 2.789 120.334 8.789 9410128 ?-?-? 4.610 120.351 8.785 34511212 ?-?-? 5.015 120.355 8.784 10507390 ?-?-? 5.759 120.310 8.785 158266400 ?-?-? 5.526 120.280 8.784 17135042 ?-?-? 9.338 120.341 8.785 37155804 ?-?-? 9.034 129.168 8.203 10424748 ?-?-? 8.784 129.290 8.205 9345739 ?-?-? 8.206 129.229 8.206 343493376 ?-?-? 5.426 129.246 8.206 25648134 ?-?-? 5.028 129.263 8.200 5116476 ?-?-? 4.608 129.220 8.205 150605776 ?-?-? 1.722 129.220 8.205 78220344 ?-?-? 1.650 129.221 8.206 44984140 ?-?-? 1.401 129.214 8.206 57497240 ?-?-? 0.940 129.205 8.206 38238640 ?-?-? 0.824 129.191 8.206 22935472 ?-?-? 0.649 129.195 8.206 18244106 ?-?-? 1.094 126.418 9.029 11702028 ?-?-? 0.939 126.414 9.032 82584736 ?-?-? 0.842 126.413 9.031 64099520 ?-?-? 1.407 126.408 9.031 46254700 ?-?-? 1.972 126.421 9.032 19273984 ?-?-? 1.878 126.412 9.032 19651134 ?-?-? 1.731 126.408 9.032 33912972 ?-?-? 4.605 126.517 9.035 7203324 ?-?-? 5.020 126.408 9.031 60256768 ?-?-? 5.425 126.407 9.031 179589712 ?-?-? 8.202 126.386 9.035 11514451 ?-?-? 9.035 126.409 9.032 461073408 ?-?-? 9.200 126.413 9.033 43852148 ?-?-? 9.325 126.399 9.033 12229971 ?-?-? 4.627 126.823 9.683 10743397 ?-?-? 4.413 126.750 9.677 37121196 ?-?-? 4.107 126.738 9.678 9603830 ?-?-? 3.088 126.732 9.678 32375072 ?-?-? 2.843 126.724 9.676 23072556 ?-?-? 2.261 126.724 9.676 14918503 ?-?-? 1.141 126.744 9.679 9740872 ?-?-? 0.832 126.668 9.680 7561786 ?-?-? 2.012 112.980 7.792 5219922 ?-?-? 2.022 112.895 7.108 11136290 ?-?-? 3.008 113.029 7.782 10838570 ?-?-? 3.026 112.975 7.108 11133005 ?-?-? 4.866 113.009 7.782 66026172 ?-?-? 7.115 113.009 7.782 89621328 ?-?-? 7.787 112.989 7.782 63647852 ?-?-? 1.124 113.007 8.322 8036582 ?-?-? 0.963 113.010 8.324 7349957 ?-?-? 2.166 113.048 8.324 37019596 ?-?-? 3.088 113.032 8.325 25260854 ?-?-? 2.789 113.061 8.323 29959418 ?-?-? 4.872 113.032 8.323 11318637 ?-?-? 4.620 113.083 8.323 13360786 ?-?-? 4.368 113.042 8.325 36182124 ?-?-? 4.099 113.007 8.325 21018408 ?-?-? 6.512 113.065 8.324 27897144 ?-?-? 6.407 113.034 8.323 17549988 ?-?-? 6.897 113.041 8.325 50343420 ?-?-? 7.438 113.056 8.322 12302048 ?-?-? 8.327 113.037 8.324 286463584 ?-?-? 9.680 113.035 8.326 18889280 ?-?-? 9.671 121.119 6.518 4830688 ?-?-? 8.853 121.045 6.511 8919289 ?-?-? 8.324 121.056 6.512 26591698 ?-?-? 8.153 121.059 6.511 65986744 ?-?-? 6.900 121.112 6.518 11376684 ?-?-? 6.515 121.058 6.512 290577856 ?-?-? 4.876 121.095 6.516 7864780 ?-?-? 4.384 121.072 6.511 13152047 ?-?-? 4.097 121.051 6.512 34666344 ?-?-? 3.621 121.016 6.514 6392182 ?-?-? 2.960 121.066 6.509 12387412 ?-?-? 2.142 121.060 6.512 21591420 ?-?-? 2.258 121.063 6.510 13029727 ?-?-? 1.900 121.064 6.511 78568776 ?-?-? 1.121 121.063 6.512 33220136 ?-?-? 0.207 120.405 8.146 5133014 ?-?-? 1.387 120.262 8.150 4816181 ?-?-? 1.098 120.338 8.153 21707772 ?-?-? 0.943 120.237 8.154 7108529 ?-?-? 0.820 120.327 8.153 8134806 ?-?-? 1.886 120.317 8.153 34843020 ?-?-? 2.140 120.282 8.152 7700752 ?-?-? 2.955 120.323 8.154 73032400 ?-?-? 4.094 120.291 8.154 12122661 ?-?-? 4.460 120.318 8.153 30172942 ?-?-? 4.867 120.414 8.160 17882698 ?-?-? 6.514 120.317 8.154 52746284 ?-?-? 6.989 120.315 8.155 18177848 ?-?-? 8.157 120.418 8.159 386510400 ?-?-? 8.854 120.320 8.155 33462558 ?-?-? 8.852 117.717 8.853 280195616 ?-?-? 8.155 117.720 8.852 31079850 ?-?-? 6.951 117.719 8.854 34494820 ?-?-? 6.508 117.778 8.851 6684126 ?-?-? 4.381 117.672 8.854 14339654 ?-?-? 4.075 117.600 8.855 7733420 ?-?-? 3.468 117.705 8.853 31630046 ?-?-? 2.949 117.699 8.853 33833256 ?-?-? 1.838 117.728 8.853 72813264 ?-?-? 1.388 117.701 8.853 40593396 ?-?-? 1.276 117.729 8.853 16090392 ?-?-? 1.105 117.721 8.856 6154440 ?-?-? 0.332 117.705 8.853 14687956 ?-?-? 0.203 117.728 8.852 24199190 ?-?-? 0.196 116.841 6.941 6387360 ?-?-? 0.439 116.894 6.943 8418061 ?-?-? 0.328 116.879 6.933 6394652 ?-?-? 1.390 116.885 6.940 18600922 ?-?-? 2.065 116.891 6.941 74944792 ?-?-? 1.962 116.884 6.942 60010336 ?-?-? 1.844 116.881 6.940 27396066 ?-?-? 2.444 116.903 6.941 45470644 ?-?-? 2.961 117.035 6.936 10464502 ?-?-? 3.471 116.895 6.942 14648121 ?-?-? 4.069 116.899 6.941 57705068 ?-?-? 4.451 116.879 6.942 9240941 ?-?-? 4.867 116.893 6.942 13502253 ?-?-? 6.942 116.901 6.941 488461568 ?-?-? 8.852 116.898 6.942 41273240 ?-?-? 8.535 116.683 6.840 10525348 ?-?-? 7.696 116.639 6.840 63672532 ?-?-? 7.299 116.655 6.840 37823860 ?-?-? 6.840 116.648 6.840 426216608 ?-?-? 6.928 116.654 6.840 78448416 ?-?-? 4.706 116.637 6.839 34253144 ?-?-? 4.474 116.628 6.841 16080326 ?-?-? 4.065 116.658 6.841 19390314 ?-?-? 3.462 116.648 6.837 7010692 ?-?-? 2.974 116.643 6.841 53173820 ?-?-? 2.847 116.646 6.839 28515582 ?-?-? 2.438 116.602 6.839 11127829 ?-?-? 2.065 116.640 6.841 38756524 ?-?-? 1.963 116.639 6.842 34606808 ?-?-? 0.826 116.684 6.836 11719447 ?-?-? 1.107 116.803 6.856 6092824 ?-?-? 0.445 116.612 6.834 7233333 ?-?-? 0.441 118.404 7.694 28230624 ?-?-? 0.331 118.425 7.687 9395890 ?-?-? 0.165 118.407 7.693 27523852 ?-?-? 0.821 118.402 7.694 66208528 ?-?-? 1.080 118.387 7.692 27866588 ?-?-? 2.042 118.359 7.687 9845136 ?-?-? 1.830 118.387 7.697 46398028 ?-?-? 3.467 118.401 7.695 33464756 ?-?-? 6.840 118.404 7.695 51886528 ?-?-? 7.310 118.264 7.730 3779760 ?-?-? 7.298 118.451 7.692 10614879 ?-?-? 7.934 118.387 7.694 8592110 ?-?-? 8.521 118.368 7.696 39192100 ?-?-? 8.521 121.626 8.523 285360928 ?-?-? 7.937 121.602 8.525 38188728 ?-?-? 7.696 121.600 8.525 40370048 # ?-?-? 7.295 121.608 8.532 5449158 ?-?-? 6.848 121.566 8.532 8817810 ?-?-? 4.052 121.598 8.527 18204228 ?-?-? 3.924 121.596 8.525 11389642 ?-?-? 3.337 121.587 8.526 38371424 ?-?-? 2.992 121.590 8.527 8629977 ?-?-? 2.041 121.600 8.525 74538624 ?-?-? 1.830 121.611 8.525 24177516 ?-?-? 1.693 121.601 8.525 52142792 ?-?-? 1.222 121.604 8.525 26256190 ?-?-? 1.088 121.643 8.518 19333240 ?-?-? 0.441 121.591 8.525 59787908 ?-?-? 0.165 121.622 8.521 6778768 ?-?-? 0.439 120.134 7.936 15229069 ?-?-? 0.839 120.130 7.937 30083702 ?-?-? 2.038 120.141 7.938 61666704 ?-?-? 2.695 120.141 7.938 41189928 ?-?-? 2.983 120.145 7.938 66585572 ?-?-? 3.340 120.134 7.940 15752542 ?-?-? 4.420 120.142 7.939 51401708 ?-?-? 4.052 120.131 7.935 8649296 ?-?-? 4.708 120.132 7.937 21792788 ?-?-? 7.089 120.154 7.938 8906132 ?-?-? 6.832 120.159 7.937 5204882 ?-?-? 7.701 120.116 7.936 10067586 ?-?-? 7.938 120.140 7.938 420419808 ?-?-? 8.304 120.149 7.938 44759112 ?-?-? 8.527 120.143 7.938 51547996 ?-?-? 8.645 123.516 8.306 8288030 ?-?-? 8.428 123.519 8.303 47861144 ?-?-? 8.303 123.525 8.303 320681600 ?-?-? 7.939 123.552 8.303 37960136 ?-?-? 4.722 123.582 8.300 8811498 ?-?-? 4.416 123.520 8.304 15931585 ?-?-? 4.230 123.533 8.303 44356064 ?-?-? 3.929 123.544 8.304 28703440 ?-?-? 3.755 123.568 8.308 9951468 ?-?-? 3.335 123.618 8.298 5511080 ?-?-? 2.982 123.550 8.304 27324546 ?-?-? 2.697 123.543 8.304 18066886 ?-?-? 2.342 123.535 8.303 53418672 ?-?-? 1.920 123.531 8.303 65306308 ?-?-? 0.839 123.571 8.305 9373053 ?-?-? 0.700 123.551 8.303 11434912 ?-?-? 0.155 123.548 8.307 8651864 ?-?-? 0.654 120.890 7.801 6566495 ?-?-? 3.160 120.913 7.801 19930274 ?-?-? 2.924 120.917 7.800 12473592 ?-?-? 2.753 120.921 7.799 37046520 ?-?-? 2.610 120.907 7.801 23074338 ?-?-? 3.860 120.934 7.796 81182256 ?-?-? 4.254 120.930 7.798 74047616 ?-?-? 4.699 120.930 7.796 169279408 ?-?-? 4.868 120.910 7.794 24060644 ?-?-? 7.038 120.931 7.795 16057838 ?-?-? 7.799 120.931 7.796 4027987200 ?-?-? 8.474 120.926 7.796 47103416 ?-?-? 8.471 120.714 8.468 1087849600 ?-?-? 7.797 120.737 8.469 35768832 ?-?-? 7.708 120.687 8.469 34214084 ?-?-? 7.043 120.664 8.469 17731060 ?-?-? 4.865 120.718 8.468 106763416 ?-?-? 4.663 120.703 8.468 160618656 ?-?-? 4.059 120.625 8.455 10953666 ?-?-? 3.863 120.626 8.473 12325310 ?-?-? 3.161 120.679 8.468 44815428 ?-?-? 2.925 120.672 8.470 51502472 ?-?-? 2.749 120.690 8.469 45522696 ?-?-? 2.604 120.694 8.468 79490576 ?-?-? 1.254 118.155 7.701 17915886 ?-?-? 1.516 118.038 7.702 20925776 ?-?-? 3.158 118.087 7.705 56156932 ?-?-? 2.923 118.095 7.704 75603464 ?-?-? 4.137 118.076 7.704 45566920 ?-?-? 3.871 118.088 7.704 70526488 ?-?-? 4.864 118.072 7.705 36563348 ?-?-? 4.654 118.086 7.704 70689224 ?-?-? 7.035 118.091 7.703 37796552 ?-?-? 6.946 118.381 7.692 12545401 ?-?-? 7.707 118.109 7.704 1103005696 ?-?-? 7.455 118.084 7.704 84843920 ?-?-? 8.148 118.088 7.705 12195081 ?-?-? 8.151 106.450 7.453 50410960 ?-?-? 7.709 106.442 7.454 44368232 ?-?-? 7.455 106.454 7.455 449818528 ?-?-? 3.858 106.466 7.454 87579712 ?-?-? 4.132 106.464 7.454 68226392 ?-?-? 1.259 106.442 7.454 12636619 ?-?-? 1.515 106.448 7.455 17026516 ?-?-? 0.254 106.386 7.457 7608580 ?-?-? 0.644 106.400 7.456 12085467 ?-?-? 0.258 114.354 8.155 19413210 ?-?-? 0.644 114.365 8.154 37847568 ?-?-? 0.527 114.357 8.155 25806936 ?-?-? 1.268 114.354 8.155 38001360 ?-?-? 1.423 114.352 8.155 56218764 ?-?-? 1.514 114.359 8.155 51152952 ?-?-? 3.657 114.353 8.156 18225804 ?-?-? 3.880 114.338 8.152 12506423 ?-?-? 4.082 114.361 8.154 43346488 ?-?-? 7.001 114.354 8.153 6187752 ?-?-? 7.456 114.352 8.154 44799224 ?-?-? 7.698 114.481 8.146 4455941 ?-?-? 8.151 114.358 8.154 266192192 ?-?-? 8.044 119.825 8.047 341305856 ?-?-? 7.462 119.891 8.043 7918162 ?-?-? 6.981 119.840 8.047 52425892 ?-?-? 6.321 119.895 8.045 4735073 ?-?-? 4.069 119.834 8.047 18700700 ?-?-? 3.889 119.862 8.049 5414104 ?-?-? 3.656 119.836 8.046 47941424 ?-?-? 3.377 119.869 8.050 6154114 ?-?-? 1.215 119.857 8.046 14832155 ?-?-? 1.348 119.832 8.047 55447916 ?-?-? 1.676 119.843 8.048 28518872 ?-?-? 1.781 119.829 8.049 28463178 ?-?-? 0.523 119.833 8.047 71252464 ?-?-? 0.643 119.851 8.047 35439808 ?-?-? 0.648 118.346 6.981 12662224 ?-?-? 0.520 118.350 6.982 8602826 ?-?-? 1.676 118.370 6.980 84991000 ?-?-? 1.804 118.369 6.979 106367288 ?-?-? 3.031 118.345 6.984 7035261 ?-?-? 3.375 118.378 6.979 19571868 ?-?-? 3.155 118.356 6.982 4781998 ?-?-? 3.705 118.435 6.972 7631010 ?-?-? 3.888 118.362 6.979 24110694 ?-?-? 4.065 118.371 6.979 66561312 ?-?-? 6.981 118.371 6.979 465768416 ?-?-? 7.272 118.371 6.978 6203770 ?-?-? 7.469 118.386 6.978 5563116 ?-?-? 8.032 118.372 6.980 108110096 ?-?-? 8.142 118.375 6.976 12990364 ?-?-? 8.017 117.709 8.018 475270464 ?-?-? 6.980 117.706 8.018 52756340 ?-?-? 6.854 117.688 8.018 53457628 ?-?-? 7.289 117.659 8.019 11836099 ?-?-? 4.063 117.719 8.018 40345452 ?-?-? 3.888 117.706 8.018 59766404 ?-?-? 3.718 117.654 8.019 14321798 ?-?-? 3.378 117.824 8.022 5625231 ?-?-? 3.159 117.701 8.020 11319626 ?-?-? 2.954 117.662 8.018 19992542 ?-?-? 2.836 117.690 8.020 24024680 ?-?-? 1.811 117.697 8.018 114682104 ?-?-? 1.681 117.684 8.019 57950120 ?-?-? 1.491 117.721 8.019 25556748 ?-?-? 0.641 117.367 6.847 8533668 ?-?-? 1.649 117.358 6.848 11632539 ?-?-? 1.846 117.361 6.849 26221622 ?-?-? 2.122 117.316 6.847 8747103 ?-?-? 2.579 117.347 6.849 33144242 ?-?-? 2.831 117.340 6.847 48581336 ?-?-? 2.961 117.319 6.846 36372292 ?-?-? 3.381 117.352 6.847 15031122 ?-?-? 3.720 117.326 6.847 35322792 ?-?-? 4.212 117.278 6.843 6264296 ?-?-? 4.065 117.356 6.846 19860300 ?-?-? 5.803 117.314 6.845 20052784 ?-?-? 6.312 117.345 6.846 5277224 ?-?-? 6.851 117.320 6.847 328316032 ?-?-? 7.290 117.325 6.847 61762492 ?-?-? 8.017 117.350 6.847 51071116 ?-?-? 8.925 116.306 7.287 8161292 ?-?-? 8.015 116.333 7.287 12654693 ?-?-? 7.288 116.320 7.288 294045760 ?-?-? 6.847 116.327 7.288 66501920 ?-?-? 5.801 116.310 7.288 17994800 ?-?-? 4.858 116.309 7.288 11599824 ?-?-? 4.224 116.313 7.284 6335941 ?-?-? 4.060 116.319 7.287 20601574 ?-?-? 3.715 116.314 7.287 12862368 ?-?-? 3.382 116.323 7.287 36958824 ?-?-? 2.965 116.311 7.287 17377374 ?-?-? 2.834 116.320 7.288 12080964 ?-?-? 2.579 116.312 7.288 48228556 ?-?-? 2.448 116.338 7.286 16337504 ?-?-? 2.309 116.323 7.285 7225756 ?-?-? 2.126 116.326 7.287 28004976 ?-?-? 1.852 116.315 7.288 42397572 ?-?-? 1.630 116.308 7.288 41429508 ?-?-? 1.630 121.149 8.927 43056932 ?-?-? 2.449 121.136 8.928 8467114 ?-?-? 4.217 121.098 8.927 8372472 ?-?-? 4.059 121.138 8.927 24639754 ?-?-? 4.865 121.154 8.927 73834568 ?-?-? 7.286 121.155 8.929 8670564 ?-?-? 8.927 121.150 8.928 32490126 ?-?-? 8.633 122.940 8.431 43010160 ?-?-? 8.430 122.857 8.428 421722016 ?-?-? 8.315 122.894 8.430 49165256 ?-?-? 4.016 122.949 8.430 42813312 ?-?-? 4.222 122.932 8.432 15671415 ?-?-? 3.337 122.941 8.428 19193960 ?-?-? 2.339 122.944 8.430 29133472 ?-?-? 1.993 122.942 8.429 76944512 ?-?-? 1.851 122.946 8.430 76225960 ?-?-? 1.555 122.932 8.431 38456916 ?-?-? 0.854 122.939 8.429 31186338 ?-?-? 0.910 122.925 8.428 29839046 ?-?-? 0.683 123.005 8.431 8452280 ?-?-? 0.840 120.780 8.637 15899927 ?-?-? 1.556 120.770 8.638 20398760 ?-?-? 1.725 120.783 8.636 34235308 ?-?-? 2.005 120.791 8.636 116360208 ?-?-? 2.217 120.779 8.637 56288744 ?-?-? 3.337 120.762 8.636 7386416 ?-?-? 3.752 120.798 8.636 46497144 ?-?-? 4.013 120.778 8.637 17484954 ?-?-? 4.232 120.816 8.637 5790010 ?-?-? 4.420 120.781 8.636 21072278 ?-?-? 7.305 120.771 8.634 5081304 ?-?-? 8.635 120.788 8.636 358085344 ?-?-? 8.508 107.782 8.506 352127776 ?-?-? 8.625 107.781 8.508 50427544 ?-?-? 8.247 107.788 8.507 42144280 ?-?-? 8.033 107.802 8.509 7027048 ?-?-? 4.419 107.774 8.507 13501727 ?-?-? 4.221 107.783 8.506 16188144 ?-?-? 4.091 107.788 8.506 87889840 ?-?-? 3.977 107.778 8.507 72933872 ?-?-? 3.752 107.790 8.505 20697314 ?-?-? 3.119 107.863 8.506 5517320 ?-?-? 2.208 107.750 8.507 8725304 ?-?-? 2.003 107.783 8.506 54950520 ?-?-? 1.729 107.754 8.508 7231866 ?-?-? 3.193 124.553 8.248 61158720 ?-?-? 3.111 124.554 8.248 68872048 ?-?-? 4.013 124.562 8.247 49587696 ?-?-? 4.101 124.675 8.241 44926036 ?-?-? 6.957 124.561 8.247 32942338 ?-?-? 7.687 124.589 8.245 8242104 ?-?-? 8.032 124.554 8.248 52331676 ?-?-? 8.505 124.586 8.247 54707976 ?-?-? 8.622 124.597 8.249 12840616 ?-?-? 8.479 118.608 8.032 11761530 ?-?-? 8.249 118.634 8.032 50207720 ?-?-? 8.031 118.644 8.034 493755584 ?-?-? 7.687 118.635 8.034 54677872 ?-?-? 6.956 118.613 8.036 27015788 ?-?-? 4.429 118.622 8.033 20329124 ?-?-? 4.034 118.642 8.034 76549664 ?-?-? 3.752 118.606 8.039 20227912 ?-?-? 3.195 118.648 8.034 30116168 ?-?-? 3.113 118.641 8.035 24124018 ?-?-? 2.713 118.617 8.036 26665530 ?-?-? 2.615 118.626 8.035 33459726 ?-?-? 2.339 118.636 8.034 126040096 ?-?-? 1.999 118.632 8.036 16415304 ?-?-? 0.340 118.631 8.028 4912378 ?-?-? 2.721 112.687 7.025 10155207 ?-?-? 2.618 112.634 7.024 10549247 ?-?-? 4.865 112.661 7.026 91063944 ?-?-? 7.713 112.654 7.026 366679136 ?-?-? 7.713 112.644 7.710 674573888 ?-?-? 7.028 112.654 7.709 350421312 ?-?-? 4.866 112.650 7.711 109727880 ?-?-? 2.615 112.633 7.711 24640152 ?-?-? 2.713 112.663 7.709 12979781 ?-?-? 1.983 115.222 7.684 135937648 ?-?-? 1.863 115.233 7.684 45102204 ?-?-? 1.693 115.207 7.683 21567054 ?-?-? 2.348 115.222 7.685 63698044 ?-?-? 2.712 115.187 7.688 8688414 ?-?-? 2.594 115.234 7.685 16428803 ?-?-? 3.307 115.193 7.687 11475744 ?-?-? 3.745 115.168 7.685 8233924 ?-?-? 4.262 115.216 7.683 80305968 ?-?-? 4.036 115.217 7.684 34855316 ?-?-? 4.427 115.171 7.681 7854678 ?-?-? 4.864 115.183 7.686 16648113 ?-?-? 4.713 115.200 7.687 8840932 ?-?-? 7.686 115.221 7.684 597291776 ?-?-? 8.033 115.208 7.683 57689960 ?-?-? 8.469 115.181 7.686 19190418 ?-?-? 8.308 115.216 7.683 64891040 ?-?-? 3.987 113.806 8.314 8655216 ?-?-? 2.159 113.812 8.306 34728728 ?-?-? 1.960 113.862 8.299 93247328 ?-?-? 2.048 115.693 8.462 36524348 ?-?-? 2.872 115.717 8.463 131749976 ?-?-? 4.710 115.701 8.464 31151176 ?-?-? 6.933 115.690 8.465 58359304 ?-?-? 7.118 115.752 8.464 12844956 ?-?-? 6.470 115.815 8.463 6639293 ?-?-? 8.311 115.692 8.463 89820584 ?-?-? 8.460 112.378 6.464 8542225 ?-?-? 7.119 112.367 6.464 884143744 ?-?-? 6.466 112.360 6.464 2025541120 ?-?-? 4.869 112.363 6.464 12319295 ?-?-? 4.709 112.389 6.462 11006830 ?-?-? 4.034 112.370 6.458 7948717 ?-?-? 2.856 112.370 6.460 7465341 ?-?-? 2.162 112.369 6.464 14552427 ?-?-? 1.943 112.370 6.465 25753184 ?-?-? 2.165 112.360 7.117 22441342 ?-?-? 1.941 112.353 7.116 58103268 ?-?-? 2.876 112.358 7.119 12381007 ?-?-? 4.034 112.338 7.112 14343691 ?-?-? 4.708 112.353 7.118 9857887 ?-?-? 6.467 112.367 7.116 904516288 ?-?-? 7.117 112.376 7.113 1751516928 ?-?-? 9.103 115.877 6.928 5571758 ?-?-? 8.466 115.931 6.923 50642148 ?-?-? 8.307 115.929 6.925 16333284 ?-?-? 6.927 115.942 6.924 455036672 ?-?-? 4.747 115.927 6.923 42570476 ?-?-? 4.426 115.933 6.924 90129896 ?-?-? 2.871 115.926 6.923 52943780 ?-?-? 3.085 115.905 6.920 10661992 ?-?-? 2.561 115.932 6.920 9229864 ?-?-? 2.166 115.909 6.925 25561142 ?-?-? 2.051 115.969 6.925 26253282 ?-?-? 1.955 115.963 6.925 36396312 ?-?-? 1.420 115.944 6.923 26369426 ?-?-? 1.629 115.920 6.924 50102572 ?-?-? 1.398 121.959 9.099 6068706 ?-?-? 1.626 122.010 9.104 12117926 ?-?-? 1.192 122.055 9.098 10858716 ?-?-? 1.953 121.971 9.102 19597522 ?-?-? 4.385 122.023 9.100 13843481 ?-?-? 4.265 122.007 9.102 25723422 ?-?-? 4.866 122.021 9.102 80223632 ?-?-? 4.750 122.009 9.101 71297000 ?-?-? 6.946 121.980 9.095 6303672 ?-?-? 9.103 122.009 9.101 85521888 ?-?-? 8.969 123.119 8.965 340018848 ?-?-? 6.961 123.133 8.964 9148819 ?-?-? 5.263 123.142 8.964 23975794 ?-?-? 4.866 123.127 8.965 26433398 ?-?-? 4.384 123.112 8.965 123107520 ?-?-? 4.248 123.111 8.966 23335476 ?-?-? 3.179 123.115 8.964 24982986 ?-?-? 2.559 123.107 8.965 29632568 ?-?-? 2.384 123.129 8.966 30520540 ?-?-? 1.930 123.113 8.967 26498752 ?-?-? 1.620 123.104 8.965 6012663 ?-?-? 1.197 123.127 8.966 28254874 ?-?-? 0.695 123.096 8.964 21773678 ?-?-? 0.269 122.511 8.483 23602182 ?-?-? 2.123 122.514 8.483 28935384 ?-?-? 2.312 122.513 8.484 16853408 ?-?-? 2.562 122.510 8.483 10620322 ?-?-? 3.182 122.571 8.484 8653651 ?-?-? 4.185 122.497 8.483 17226154 ?-?-? 5.260 122.517 8.484 59252632 ?-?-? 6.300 122.515 8.483 25298524 ?-?-? 6.951 122.490 8.482 41985568 ?-?-? 7.444 122.539 8.485 13972557 ?-?-? 9.149 109.891 9.147 75660272 ?-?-? 4.841 109.890 9.146 89955264 ?-?-? 4.218 109.889 9.147 39081168 ?-?-? 4.068 109.891 9.145 29123064 ?-?-? 2.452 109.889 9.147 15554290 ; 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 . . 9615.385 Hz . . . 4.779 . . 30925 2 2 . . N 15 N . . 1949.416 Hz . . . 119.601 . . 30925 2 3 . . H 1 H . folded 6011.328 Hz . . . 4.779 . . 30925 2 stop_ save_