data_30850 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30850 _Entry.Title ; The isolated chicken ASIC1a thumb domain (ATD-c1a) retains the structure and ligand binding properties of the full length chicken ASIC1a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-01-27 _Entry.Accession_date 2021-01-27 _Entry.Last_release_date 2021-02-17 _Entry.Original_release_date 2021-02-17 _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 B. Mishra B. M. . . 30850 2 M. Mobli M. . . . 30850 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ASIC1a thumb domain' . 30850 'MEMBRANE PROTEIN' . 30850 'ion channel domain' . 30850 'membrane protein domain' . 30850 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30850 spectral_peak_list 3 30850 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 342 30850 '15N chemical shifts' 80 30850 '1H chemical shifts' 502 30850 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-08-05 . original BMRB . 30850 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7LIE 'BMRB Entry Tracking System' 30850 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30850 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A reductionist approach for studying the ASIC thumb domain to screen for channel modulators as novel therapeutic leads ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 B. Mishra B. M. . . 30850 1 2 M. Mobli M. . . . 30850 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30850 _Assembly.ID 1 _Assembly.Name 'Acid-sensing ion channel 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 30850 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 2 2 SG . 1 . 1 CYS 77 77 SG . . . . . . . . . . . . 30850 1 2 disulfide single . 1 . 1 CYS 20 20 SG . 1 . 1 CYS 73 73 SG . . . . . . . . . . . . 30850 1 3 disulfide single . 1 . 1 CYS 24 24 SG . 1 . 1 CYS 71 71 SG . . . . . . . . . . . . 30850 1 4 disulfide single . 1 . 1 CYS 33 33 SG . 1 . 1 CYS 55 55 SG . . . . . . . . . . . . 30850 1 5 disulfide single . 1 . 1 CYS 35 35 SG . 1 . 1 CYS 47 47 SG . . . . . . . . . . . . 30850 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30850 _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 ; SCKATTGDSEFYDTYSITAC RIDCETRYLVENCNCRMVHM PGDAPYCTPEQYKECADPAL DFLVEKDNEYCVCEMPCN ; _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 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'Thumb domain, residues 291-367' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8921.990 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ASIC1 common 30850 1 'Amiloride-sensitive cation channel 2' common 30850 1 neuronal common 30850 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 290 SER . 30850 1 2 291 CYS . 30850 1 3 292 LYS . 30850 1 4 293 ALA . 30850 1 5 294 THR . 30850 1 6 295 THR . 30850 1 7 296 GLY . 30850 1 8 297 ASP . 30850 1 9 298 SER . 30850 1 10 299 GLU . 30850 1 11 300 PHE . 30850 1 12 301 TYR . 30850 1 13 302 ASP . 30850 1 14 303 THR . 30850 1 15 304 TYR . 30850 1 16 305 SER . 30850 1 17 306 ILE . 30850 1 18 307 THR . 30850 1 19 308 ALA . 30850 1 20 309 CYS . 30850 1 21 310 ARG . 30850 1 22 311 ILE . 30850 1 23 312 ASP . 30850 1 24 313 CYS . 30850 1 25 314 GLU . 30850 1 26 315 THR . 30850 1 27 316 ARG . 30850 1 28 317 TYR . 30850 1 29 318 LEU . 30850 1 30 319 VAL . 30850 1 31 320 GLU . 30850 1 32 321 ASN . 30850 1 33 322 CYS . 30850 1 34 323 ASN . 30850 1 35 324 CYS . 30850 1 36 325 ARG . 30850 1 37 326 MET . 30850 1 38 327 VAL . 30850 1 39 328 HIS . 30850 1 40 329 MET . 30850 1 41 330 PRO . 30850 1 42 331 GLY . 30850 1 43 332 ASP . 30850 1 44 333 ALA . 30850 1 45 334 PRO . 30850 1 46 335 TYR . 30850 1 47 336 CYS . 30850 1 48 337 THR . 30850 1 49 338 PRO . 30850 1 50 339 GLU . 30850 1 51 340 GLN . 30850 1 52 341 TYR . 30850 1 53 342 LYS . 30850 1 54 343 GLU . 30850 1 55 344 CYS . 30850 1 56 345 ALA . 30850 1 57 346 ASP . 30850 1 58 347 PRO . 30850 1 59 348 ALA . 30850 1 60 349 LEU . 30850 1 61 350 ASP . 30850 1 62 351 PHE . 30850 1 63 352 LEU . 30850 1 64 353 VAL . 30850 1 65 354 GLU . 30850 1 66 355 LYS . 30850 1 67 356 ASP . 30850 1 68 357 ASN . 30850 1 69 358 GLU . 30850 1 70 359 TYR . 30850 1 71 360 CYS . 30850 1 72 361 VAL . 30850 1 73 362 CYS . 30850 1 74 363 GLU . 30850 1 75 364 MET . 30850 1 76 365 PRO . 30850 1 77 366 CYS . 30850 1 78 367 ASN . 30850 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 . SER 1 1 30850 1 . CYS 2 2 30850 1 . LYS 3 3 30850 1 . ALA 4 4 30850 1 . THR 5 5 30850 1 . THR 6 6 30850 1 . GLY 7 7 30850 1 . ASP 8 8 30850 1 . SER 9 9 30850 1 . GLU 10 10 30850 1 . PHE 11 11 30850 1 . TYR 12 12 30850 1 . ASP 13 13 30850 1 . THR 14 14 30850 1 . TYR 15 15 30850 1 . SER 16 16 30850 1 . ILE 17 17 30850 1 . THR 18 18 30850 1 . ALA 19 19 30850 1 . CYS 20 20 30850 1 . ARG 21 21 30850 1 . ILE 22 22 30850 1 . ASP 23 23 30850 1 . CYS 24 24 30850 1 . GLU 25 25 30850 1 . THR 26 26 30850 1 . ARG 27 27 30850 1 . TYR 28 28 30850 1 . LEU 29 29 30850 1 . VAL 30 30 30850 1 . GLU 31 31 30850 1 . ASN 32 32 30850 1 . CYS 33 33 30850 1 . ASN 34 34 30850 1 . CYS 35 35 30850 1 . ARG 36 36 30850 1 . MET 37 37 30850 1 . VAL 38 38 30850 1 . HIS 39 39 30850 1 . MET 40 40 30850 1 . PRO 41 41 30850 1 . GLY 42 42 30850 1 . ASP 43 43 30850 1 . ALA 44 44 30850 1 . PRO 45 45 30850 1 . TYR 46 46 30850 1 . CYS 47 47 30850 1 . THR 48 48 30850 1 . PRO 49 49 30850 1 . GLU 50 50 30850 1 . GLN 51 51 30850 1 . TYR 52 52 30850 1 . LYS 53 53 30850 1 . GLU 54 54 30850 1 . CYS 55 55 30850 1 . ALA 56 56 30850 1 . ASP 57 57 30850 1 . PRO 58 58 30850 1 . ALA 59 59 30850 1 . LEU 60 60 30850 1 . ASP 61 61 30850 1 . PHE 62 62 30850 1 . LEU 63 63 30850 1 . VAL 64 64 30850 1 . GLU 65 65 30850 1 . LYS 66 66 30850 1 . ASP 67 67 30850 1 . ASN 68 68 30850 1 . GLU 69 69 30850 1 . TYR 70 70 30850 1 . CYS 71 71 30850 1 . VAL 72 72 30850 1 . CYS 73 73 30850 1 . GLU 74 74 30850 1 . MET 75 75 30850 1 . PRO 76 76 30850 1 . CYS 77 77 30850 1 . ASN 78 78 30850 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 30850 _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 . 9031 organism . 'Gallus gallus' Chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . 'ASIC1, ACCN2' . 30850 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 30850 _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' . . 562 Escherichia coli . . . . . . . . . . 30850 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30850 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '320 uM [U-100% 13C; U-100% 15N] Thumb domain of the chicken acid-sensing ion channel 1a (cASIC1a), 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 'Acid-sensing ion channel 1' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 320 . . uM . . . . 30850 1 2 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 30850 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 30850 _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' 50 0.2 mM 30850 1 pH 7.0 0.05 pH 30850 1 pressure 1 0.01 atm 30850 1 temperature 298 0.2 K 30850 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30850 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 4.0.7 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30850 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 30850 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30850 _Software.ID 2 _Software.Type . _Software.Name 'Rowland NMR Toolkit (RNMRTK)' _Software.Version 3.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Hoch and Stern' . . 30850 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30850 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30850 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30850 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30850 3 'peak picking' . 30850 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30850 _Software.ID 4 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30850 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30850 4 'structure calculation' . 30850 4 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 30850 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'The instrument is fitted with a triple-resonance TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30850 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 900 . . . 30850 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 30850 _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 . . . . . . . . . . . . . . . . . 30850 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30850 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30850 1 4 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30850 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30850 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30850 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30850 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30850 1 9 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30850 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30850 1 11 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30850 1 12 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30850 1 13 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30850 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 30850 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 'Deuterium Oxide' protons . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 30850 1 H 1 'Deuterium Oxide' protons . . . . ppm 0.000 internal direct 1.0 . . . . . 30850 1 N 15 'Deuterium Oxide' protons . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 30850 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 30850 _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' . . . 30850 1 2 '3D CBCA(CO)NH' . . . 30850 1 3 '3D HNCACB' . . . 30850 1 4 '3D H(CCO)NH' . . . 30850 1 5 '3D HNCO' . . . 30850 1 6 '3D HBHA(CO)NH' . . . 30850 1 7 '3D 1H-15N NOESY' . . . 30850 1 8 '3D 1H-13C NOESY aliphatic' . . . 30850 1 9 '3D 1H-13C NOESY aromatic' . . . 30850 1 10 '2D 1H-1H NOESY' . . . 30850 1 11 '2D 1H-13C HSQC' . . . 30850 1 12 '3D HN(CA)CO' . . . 30850 1 13 '3D C(CO)NH' . . . 30850 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 CYS H H 1 8.044 0.000 . 1 . . . . A 291 CYS H . 30850 1 2 . 1 . 1 2 2 CYS HA H 1 4.811 0.000 . 1 . . . . A 291 CYS HA . 30850 1 3 . 1 . 1 2 2 CYS HB2 H 1 3.194 0.000 . 2 . . . . A 291 CYS HB2 . 30850 1 4 . 1 . 1 2 2 CYS HB3 H 1 3.009 0.000 . 2 . . . . A 291 CYS HB3 . 30850 1 5 . 1 . 1 2 2 CYS C C 13 173.791 0.000 . 1 . . . . A 291 CYS C . 30850 1 6 . 1 . 1 2 2 CYS CA C 13 55.375 0.000 . 1 . . . . A 291 CYS CA . 30850 1 7 . 1 . 1 2 2 CYS CB C 13 42.198 0.001 . 1 . . . . A 291 CYS CB . 30850 1 8 . 1 . 1 2 2 CYS N N 15 127.205 0.000 . 1 . . . . A 291 CYS N . 30850 1 9 . 1 . 1 3 3 LYS H H 1 8.613 0.000 . 1 . . . . A 292 LYS H . 30850 1 10 . 1 . 1 3 3 LYS HA H 1 4.322 0.000 . 1 . . . . A 292 LYS HA . 30850 1 11 . 1 . 1 3 3 LYS HB2 H 1 1.733 0.006 . 2 . . . . A 292 LYS HB2 . 30850 1 12 . 1 . 1 3 3 LYS HB3 H 1 1.641 0.000 . 2 . . . . A 292 LYS HB3 . 30850 1 13 . 1 . 1 3 3 LYS HG2 H 1 1.345 0.000 . 2 . . . . A 292 LYS HG2 . 30850 1 14 . 1 . 1 3 3 LYS HG3 H 1 1.369 0.000 . 2 . . . . A 292 LYS HG3 . 30850 1 15 . 1 . 1 3 3 LYS HD2 H 1 1.587 0.000 . 2 . . . . A 292 LYS HD2 . 30850 1 16 . 1 . 1 3 3 LYS HD3 H 1 1.587 0.000 . 2 . . . . A 292 LYS HD3 . 30850 1 17 . 1 . 1 3 3 LYS HE2 H 1 2.914 0.001 . 2 . . . . A 292 LYS HE2 . 30850 1 18 . 1 . 1 3 3 LYS HE3 H 1 2.914 0.001 . 2 . . . . A 292 LYS HE3 . 30850 1 19 . 1 . 1 3 3 LYS C C 13 175.673 0.000 . 1 . . . . A 292 LYS C . 30850 1 20 . 1 . 1 3 3 LYS CA C 13 56.113 0.000 . 1 . . . . A 292 LYS CA . 30850 1 21 . 1 . 1 3 3 LYS CB C 13 33.380 0.015 . 1 . . . . A 292 LYS CB . 30850 1 22 . 1 . 1 3 3 LYS CG C 13 24.610 0.000 . 1 . . . . A 292 LYS CG . 30850 1 23 . 1 . 1 3 3 LYS CD C 13 29.189 0.001 . 1 . . . . A 292 LYS CD . 30850 1 24 . 1 . 1 3 3 LYS CE C 13 42.190 0.009 . 1 . . . . A 292 LYS CE . 30850 1 25 . 1 . 1 3 3 LYS N N 15 123.491 0.000 . 1 . . . . A 292 LYS N . 30850 1 26 . 1 . 1 4 4 ALA H H 1 8.456 0.000 . 1 . . . . A 293 ALA H . 30850 1 27 . 1 . 1 4 4 ALA HA H 1 4.360 0.000 . 1 . . . . A 293 ALA HA . 30850 1 28 . 1 . 1 4 4 ALA HB1 H 1 1.369 0.000 . 1 . . . . A 293 ALA HB1 . 30850 1 29 . 1 . 1 4 4 ALA HB2 H 1 1.369 0.000 . 1 . . . . A 293 ALA HB2 . 30850 1 30 . 1 . 1 4 4 ALA HB3 H 1 1.369 0.000 . 1 . . . . A 293 ALA HB3 . 30850 1 31 . 1 . 1 4 4 ALA C C 13 177.825 0.000 . 1 . . . . A 293 ALA C . 30850 1 32 . 1 . 1 4 4 ALA CA C 13 52.501 0.000 . 1 . . . . A 293 ALA CA . 30850 1 33 . 1 . 1 4 4 ALA CB C 13 19.425 0.000 . 1 . . . . A 293 ALA CB . 30850 1 34 . 1 . 1 4 4 ALA N N 15 127.045 0.000 . 1 . . . . A 293 ALA N . 30850 1 35 . 1 . 1 5 5 THR H H 1 8.251 0.000 . 1 . . . . A 294 THR H . 30850 1 36 . 1 . 1 5 5 THR HA H 1 4.406 0.000 . 1 . . . . A 294 THR HA . 30850 1 37 . 1 . 1 5 5 THR HB H 1 4.255 0.000 . 1 . . . . A 294 THR HB . 30850 1 38 . 1 . 1 5 5 THR HG21 H 1 1.172 0.000 . 1 . . . . A 294 THR HG21 . 30850 1 39 . 1 . 1 5 5 THR HG22 H 1 1.172 0.000 . 1 . . . . A 294 THR HG22 . 30850 1 40 . 1 . 1 5 5 THR HG23 H 1 1.172 0.000 . 1 . . . . A 294 THR HG23 . 30850 1 41 . 1 . 1 5 5 THR C C 13 174.783 0.000 . 1 . . . . A 294 THR C . 30850 1 42 . 1 . 1 5 5 THR CA C 13 61.698 0.020 . 1 . . . . A 294 THR CA . 30850 1 43 . 1 . 1 5 5 THR CB C 13 69.939 0.000 . 1 . . . . A 294 THR CB . 30850 1 44 . 1 . 1 5 5 THR CG2 C 13 21.657 0.000 . 1 . . . . A 294 THR CG2 . 30850 1 45 . 1 . 1 5 5 THR N N 15 113.533 0.000 . 1 . . . . A 294 THR N . 30850 1 46 . 1 . 1 6 6 THR H H 1 8.106 0.000 . 1 . . . . A 295 THR H . 30850 1 47 . 1 . 1 6 6 THR HA H 1 4.371 0.000 . 1 . . . . A 295 THR HA . 30850 1 48 . 1 . 1 6 6 THR HB H 1 4.233 0.006 . 1 . . . . A 295 THR HB . 30850 1 49 . 1 . 1 6 6 THR HG21 H 1 1.173 0.000 . 1 . . . . A 295 THR HG21 . 30850 1 50 . 1 . 1 6 6 THR HG22 H 1 1.173 0.000 . 1 . . . . A 295 THR HG22 . 30850 1 51 . 1 . 1 6 6 THR HG23 H 1 1.173 0.000 . 1 . . . . A 295 THR HG23 . 30850 1 52 . 1 . 1 6 6 THR C C 13 175.065 0.000 . 1 . . . . A 295 THR C . 30850 1 53 . 1 . 1 6 6 THR CA C 13 61.774 0.001 . 1 . . . . A 295 THR CA . 30850 1 54 . 1 . 1 6 6 THR CB C 13 69.971 0.000 . 1 . . . . A 295 THR CB . 30850 1 55 . 1 . 1 6 6 THR CG2 C 13 21.609 0.000 . 1 . . . . A 295 THR CG2 . 30850 1 56 . 1 . 1 6 6 THR N N 15 114.833 0.000 . 1 . . . . A 295 THR N . 30850 1 57 . 1 . 1 7 7 GLY H H 1 8.398 0.000 . 1 . . . . A 296 GLY H . 30850 1 58 . 1 . 1 7 7 GLY HA2 H 1 3.984 0.000 . 2 . . . . A 296 GLY HA2 . 30850 1 59 . 1 . 1 7 7 GLY HA3 H 1 3.931 0.000 . 2 . . . . A 296 GLY HA3 . 30850 1 60 . 1 . 1 7 7 GLY C C 13 173.911 0.000 . 1 . . . . A 296 GLY C . 30850 1 61 . 1 . 1 7 7 GLY CA C 13 45.425 0.010 . 1 . . . . A 296 GLY CA . 30850 1 62 . 1 . 1 7 7 GLY N N 15 110.975 0.000 . 1 . . . . A 296 GLY N . 30850 1 63 . 1 . 1 8 8 ASP H H 1 8.221 0.000 . 1 . . . . A 297 ASP H . 30850 1 64 . 1 . 1 8 8 ASP HA H 1 4.641 0.000 . 1 . . . . A 297 ASP HA . 30850 1 65 . 1 . 1 8 8 ASP HB2 H 1 2.730 0.000 . 2 . . . . A 297 ASP HB2 . 30850 1 66 . 1 . 1 8 8 ASP HB3 H 1 2.628 0.000 . 2 . . . . A 297 ASP HB3 . 30850 1 67 . 1 . 1 8 8 ASP C C 13 176.463 0.000 . 1 . . . . A 297 ASP C . 30850 1 68 . 1 . 1 8 8 ASP CA C 13 54.426 0.000 . 1 . . . . A 297 ASP CA . 30850 1 69 . 1 . 1 8 8 ASP CB C 13 41.329 0.000 . 1 . . . . A 297 ASP CB . 30850 1 70 . 1 . 1 8 8 ASP CG C 13 177.466 0.000 . 1 . . . . A 297 ASP CG . 30850 1 71 . 1 . 1 8 8 ASP N N 15 120.432 0.000 . 1 . . . . A 297 ASP N . 30850 1 72 . 1 . 1 9 9 SER H H 1 8.229 0.000 . 1 . . . . A 298 SER H . 30850 1 73 . 1 . 1 9 9 SER HA H 1 4.361 0.000 . 1 . . . . A 298 SER HA . 30850 1 74 . 1 . 1 9 9 SER HB2 H 1 3.883 0.000 . 2 . . . . A 298 SER HB2 . 30850 1 75 . 1 . 1 9 9 SER HB3 H 1 3.807 0.000 . 2 . . . . A 298 SER HB3 . 30850 1 76 . 1 . 1 9 9 SER C C 13 174.661 0.000 . 1 . . . . A 298 SER C . 30850 1 77 . 1 . 1 9 9 SER CA C 13 58.848 0.007 . 1 . . . . A 298 SER CA . 30850 1 78 . 1 . 1 9 9 SER CB C 13 63.851 0.001 . 1 . . . . A 298 SER CB . 30850 1 79 . 1 . 1 9 9 SER N N 15 115.799 0.000 . 1 . . . . A 298 SER N . 30850 1 80 . 1 . 1 10 10 GLU H H 1 8.431 0.000 . 1 . . . . A 299 GLU H . 30850 1 81 . 1 . 1 10 10 GLU HA H 1 4.186 0.000 . 1 . . . . A 299 GLU HA . 30850 1 82 . 1 . 1 10 10 GLU HB2 H 1 1.836 0.000 . 2 . . . . A 299 GLU HB2 . 30850 1 83 . 1 . 1 10 10 GLU HB3 H 1 1.836 0.000 . 2 . . . . A 299 GLU HB3 . 30850 1 84 . 1 . 1 10 10 GLU HG2 H 1 2.111 0.004 . 2 . . . . A 299 GLU HG2 . 30850 1 85 . 1 . 1 10 10 GLU HG3 H 1 2.001 0.004 . 2 . . . . A 299 GLU HG3 . 30850 1 86 . 1 . 1 10 10 GLU C C 13 176.221 0.000 . 1 . . . . A 299 GLU C . 30850 1 87 . 1 . 1 10 10 GLU CA C 13 57.085 0.000 . 1 . . . . A 299 GLU CA . 30850 1 88 . 1 . 1 10 10 GLU CB C 13 29.996 0.000 . 1 . . . . A 299 GLU CB . 30850 1 89 . 1 . 1 10 10 GLU CG C 13 36.156 0.006 . 1 . . . . A 299 GLU CG . 30850 1 90 . 1 . 1 10 10 GLU CD C 13 181.155 0.000 . 1 . . . . A 299 GLU CD . 30850 1 91 . 1 . 1 10 10 GLU N N 15 122.407 0.006 . 1 . . . . A 299 GLU N . 30850 1 92 . 1 . 1 11 11 PHE H H 1 8.080 0.000 . 1 . . . . A 300 PHE H . 30850 1 93 . 1 . 1 11 11 PHE HA H 1 4.525 0.003 . 1 . . . . A 300 PHE HA . 30850 1 94 . 1 . 1 11 11 PHE HB2 H 1 3.023 0.000 . 2 . . . . A 300 PHE HB2 . 30850 1 95 . 1 . 1 11 11 PHE HB3 H 1 2.943 0.000 . 2 . . . . A 300 PHE HB3 . 30850 1 96 . 1 . 1 11 11 PHE HD1 H 1 7.104 0.000 . 1 . . . . A 300 PHE HD1 . 30850 1 97 . 1 . 1 11 11 PHE HD2 H 1 7.104 0.000 . 1 . . . . A 300 PHE HD2 . 30850 1 98 . 1 . 1 11 11 PHE C C 13 175.385 0.000 . 1 . . . . A 300 PHE C . 30850 1 99 . 1 . 1 11 11 PHE CA C 13 58.092 0.000 . 1 . . . . A 300 PHE CA . 30850 1 100 . 1 . 1 11 11 PHE CB C 13 39.726 0.000 . 1 . . . . A 300 PHE CB . 30850 1 101 . 1 . 1 11 11 PHE CD1 C 13 131.484 0.010 . 1 . . . . A 300 PHE CD1 . 30850 1 102 . 1 . 1 11 11 PHE CD2 C 13 131.484 0.000 . 1 . . . . A 300 PHE CD2 . 30850 1 103 . 1 . 1 11 11 PHE N N 15 119.874 0.000 . 1 . . . . A 300 PHE N . 30850 1 104 . 1 . 1 12 12 TYR H H 1 7.929 0.000 . 1 . . . . A 301 TYR H . 30850 1 105 . 1 . 1 12 12 TYR HA H 1 4.476 0.000 . 1 . . . . A 301 TYR HA . 30850 1 106 . 1 . 1 12 12 TYR HB2 H 1 3.048 0.005 . 2 . . . . A 301 TYR HB2 . 30850 1 107 . 1 . 1 12 12 TYR HB3 H 1 2.892 0.000 . 2 . . . . A 301 TYR HB3 . 30850 1 108 . 1 . 1 12 12 TYR HD1 H 1 7.104 0.000 . 1 . . . . A 301 TYR HD1 . 30850 1 109 . 1 . 1 12 12 TYR HD2 H 1 7.104 0.000 . 1 . . . . A 301 TYR HD2 . 30850 1 110 . 1 . 1 12 12 TYR HE1 H 1 6.799 0.000 . 1 . . . . A 301 TYR HE1 . 30850 1 111 . 1 . 1 12 12 TYR HE2 H 1 6.799 0.000 . 1 . . . . A 301 TYR HE2 . 30850 1 112 . 1 . 1 12 12 TYR C C 13 175.237 0.000 . 1 . . . . A 301 TYR C . 30850 1 113 . 1 . 1 12 12 TYR CA C 13 58.132 0.000 . 1 . . . . A 301 TYR CA . 30850 1 114 . 1 . 1 12 12 TYR CB C 13 38.997 0.001 . 1 . . . . A 301 TYR CB . 30850 1 115 . 1 . 1 12 12 TYR CD1 C 13 131.491 0.000 . 1 . . . . A 301 TYR CD1 . 30850 1 116 . 1 . 1 12 12 TYR CD2 C 13 131.491 0.000 . 1 . . . . A 301 TYR CD2 . 30850 1 117 . 1 . 1 12 12 TYR CE1 C 13 118.160 0.000 . 1 . . . . A 301 TYR CE1 . 30850 1 118 . 1 . 1 12 12 TYR CE2 C 13 118.160 0.000 . 1 . . . . A 301 TYR CE2 . 30850 1 119 . 1 . 1 12 12 TYR N N 15 121.074 0.000 . 1 . . . . A 301 TYR N . 30850 1 120 . 1 . 1 13 13 ASP H H 1 8.217 0.000 . 1 . . . . A 302 ASP H . 30850 1 121 . 1 . 1 13 13 ASP HA H 1 4.599 0.000 . 1 . . . . A 302 ASP HA . 30850 1 122 . 1 . 1 13 13 ASP HB2 H 1 2.740 0.002 . 2 . . . . A 302 ASP HB2 . 30850 1 123 . 1 . 1 13 13 ASP HB3 H 1 2.658 0.006 . 2 . . . . A 302 ASP HB3 . 30850 1 124 . 1 . 1 13 13 ASP C C 13 176.543 0.000 . 1 . . . . A 302 ASP C . 30850 1 125 . 1 . 1 13 13 ASP CA C 13 54.338 0.000 . 1 . . . . A 302 ASP CA . 30850 1 126 . 1 . 1 13 13 ASP CB C 13 41.326 0.007 . 1 . . . . A 302 ASP CB . 30850 1 127 . 1 . 1 13 13 ASP CG C 13 177.256 0.000 . 1 . . . . A 302 ASP CG . 30850 1 128 . 1 . 1 13 13 ASP N N 15 121.785 0.000 . 1 . . . . A 302 ASP N . 30850 1 129 . 1 . 1 14 14 THR H H 1 8.037 0.000 . 1 . . . . A 303 THR H . 30850 1 130 . 1 . 1 14 14 THR HA H 1 4.148 0.001 . 1 . . . . A 303 THR HA . 30850 1 131 . 1 . 1 14 14 THR HB H 1 4.191 0.000 . 1 . . . . A 303 THR HB . 30850 1 132 . 1 . 1 14 14 THR HG21 H 1 1.140 0.000 . 1 . . . . A 303 THR HG21 . 30850 1 133 . 1 . 1 14 14 THR HG22 H 1 1.140 0.000 . 1 . . . . A 303 THR HG22 . 30850 1 134 . 1 . 1 14 14 THR HG23 H 1 1.140 0.000 . 1 . . . . A 303 THR HG23 . 30850 1 135 . 1 . 1 14 14 THR C C 13 175.155 0.000 . 1 . . . . A 303 THR C . 30850 1 136 . 1 . 1 14 14 THR CA C 13 63.278 0.013 . 1 . . . . A 303 THR CA . 30850 1 137 . 1 . 1 14 14 THR CB C 13 69.357 0.012 . 1 . . . . A 303 THR CB . 30850 1 138 . 1 . 1 14 14 THR CG2 C 13 21.658 0.000 . 1 . . . . A 303 THR CG2 . 30850 1 139 . 1 . 1 14 14 THR N N 15 114.267 0.000 . 1 . . . . A 303 THR N . 30850 1 140 . 1 . 1 15 15 TYR H H 1 8.218 0.000 . 1 . . . . A 304 TYR H . 30850 1 141 . 1 . 1 15 15 TYR HA H 1 4.395 0.000 . 1 . . . . A 304 TYR HA . 30850 1 142 . 1 . 1 15 15 TYR HB2 H 1 3.012 0.000 . 2 . . . . A 304 TYR HB2 . 30850 1 143 . 1 . 1 15 15 TYR HB3 H 1 3.012 0.000 . 2 . . . . A 304 TYR HB3 . 30850 1 144 . 1 . 1 15 15 TYR HD1 H 1 7.088 0.001 . 1 . . . . A 304 TYR HD1 . 30850 1 145 . 1 . 1 15 15 TYR HD2 H 1 7.088 0.001 . 1 . . . . A 304 TYR HD2 . 30850 1 146 . 1 . 1 15 15 TYR HE1 H 1 6.796 0.000 . 1 . . . . A 304 TYR HE1 . 30850 1 147 . 1 . 1 15 15 TYR HE2 H 1 6.796 0.000 . 1 . . . . A 304 TYR HE2 . 30850 1 148 . 1 . 1 15 15 TYR C C 13 176.297 0.000 . 1 . . . . A 304 TYR C . 30850 1 149 . 1 . 1 15 15 TYR CA C 13 59.528 0.000 . 1 . . . . A 304 TYR CA . 30850 1 150 . 1 . 1 15 15 TYR CB C 13 38.362 0.000 . 1 . . . . A 304 TYR CB . 30850 1 151 . 1 . 1 15 15 TYR CD1 C 13 133.293 0.002 . 1 . . . . A 304 TYR CD1 . 30850 1 152 . 1 . 1 15 15 TYR CD2 C 13 133.293 0.000 . 1 . . . . A 304 TYR CD2 . 30850 1 153 . 1 . 1 15 15 TYR CE1 C 13 118.085 0.001 . 1 . . . . A 304 TYR CE1 . 30850 1 154 . 1 . 1 15 15 TYR CE2 C 13 118.085 0.000 . 1 . . . . A 304 TYR CE2 . 30850 1 155 . 1 . 1 15 15 TYR N N 15 123.407 0.000 . 1 . . . . A 304 TYR N . 30850 1 156 . 1 . 1 16 16 SER H H 1 7.981 0.000 . 1 . . . . A 305 SER H . 30850 1 157 . 1 . 1 16 16 SER HA H 1 4.319 0.000 . 1 . . . . A 305 SER HA . 30850 1 158 . 1 . 1 16 16 SER HB2 H 1 3.945 0.000 . 2 . . . . A 305 SER HB2 . 30850 1 159 . 1 . 1 16 16 SER HB3 H 1 3.848 0.000 . 2 . . . . A 305 SER HB3 . 30850 1 160 . 1 . 1 16 16 SER C C 13 175.715 0.000 . 1 . . . . A 305 SER C . 30850 1 161 . 1 . 1 16 16 SER CA C 13 59.064 0.000 . 1 . . . . A 305 SER CA . 30850 1 162 . 1 . 1 16 16 SER CB C 13 63.623 0.001 . 1 . . . . A 305 SER CB . 30850 1 163 . 1 . 1 16 16 SER N N 15 117.489 0.000 . 1 . . . . A 305 SER N . 30850 1 164 . 1 . 1 17 17 ILE H H 1 8.257 0.000 . 1 . . . . A 306 ILE H . 30850 1 165 . 1 . 1 17 17 ILE HA H 1 3.956 0.000 . 1 . . . . A 306 ILE HA . 30850 1 166 . 1 . 1 17 17 ILE HB H 1 1.918 0.000 . 1 . . . . A 306 ILE HB . 30850 1 167 . 1 . 1 17 17 ILE HG12 H 1 1.555 0.000 . 2 . . . . A 306 ILE HG12 . 30850 1 168 . 1 . 1 17 17 ILE HG13 H 1 1.248 0.000 . 2 . . . . A 306 ILE HG13 . 30850 1 169 . 1 . 1 17 17 ILE HG21 H 1 0.934 0.000 . 1 . . . . A 306 ILE HG21 . 30850 1 170 . 1 . 1 17 17 ILE HG22 H 1 0.934 0.000 . 1 . . . . A 306 ILE HG22 . 30850 1 171 . 1 . 1 17 17 ILE HG23 H 1 0.934 0.000 . 1 . . . . A 306 ILE HG23 . 30850 1 172 . 1 . 1 17 17 ILE HD11 H 1 0.856 0.000 . 1 . . . . A 306 ILE HD11 . 30850 1 173 . 1 . 1 17 17 ILE HD12 H 1 0.856 0.000 . 1 . . . . A 306 ILE HD12 . 30850 1 174 . 1 . 1 17 17 ILE HD13 H 1 0.856 0.000 . 1 . . . . A 306 ILE HD13 . 30850 1 175 . 1 . 1 17 17 ILE C C 13 177.404 0.000 . 1 . . . . A 306 ILE C . 30850 1 176 . 1 . 1 17 17 ILE CA C 13 64.007 0.000 . 1 . . . . A 306 ILE CA . 30850 1 177 . 1 . 1 17 17 ILE CB C 13 37.982 0.000 . 1 . . . . A 306 ILE CB . 30850 1 178 . 1 . 1 17 17 ILE CG1 C 13 28.690 0.001 . 1 . . . . A 306 ILE CG1 . 30850 1 179 . 1 . 1 17 17 ILE CG2 C 13 17.358 0.000 . 1 . . . . A 306 ILE CG2 . 30850 1 180 . 1 . 1 17 17 ILE CD1 C 13 13.459 0.000 . 1 . . . . A 306 ILE CD1 . 30850 1 181 . 1 . 1 17 17 ILE N N 15 124.026 0.000 . 1 . . . . A 306 ILE N . 30850 1 182 . 1 . 1 18 18 THR H H 1 7.841 0.000 . 1 . . . . A 307 THR H . 30850 1 183 . 1 . 1 18 18 THR HA H 1 3.941 0.000 . 1 . . . . A 307 THR HA . 30850 1 184 . 1 . 1 18 18 THR HB H 1 4.117 0.001 . 1 . . . . A 307 THR HB . 30850 1 185 . 1 . 1 18 18 THR HG21 H 1 1.241 0.000 . 1 . . . . A 307 THR HG21 . 30850 1 186 . 1 . 1 18 18 THR HG22 H 1 1.241 0.000 . 1 . . . . A 307 THR HG22 . 30850 1 187 . 1 . 1 18 18 THR HG23 H 1 1.241 0.000 . 1 . . . . A 307 THR HG23 . 30850 1 188 . 1 . 1 18 18 THR C C 13 175.972 0.000 . 1 . . . . A 307 THR C . 30850 1 189 . 1 . 1 18 18 THR CA C 13 65.676 0.014 . 1 . . . . A 307 THR CA . 30850 1 190 . 1 . 1 18 18 THR CB C 13 68.860 0.000 . 1 . . . . A 307 THR CB . 30850 1 191 . 1 . 1 18 18 THR CG2 C 13 21.899 0.001 . 1 . . . . A 307 THR CG2 . 30850 1 192 . 1 . 1 18 18 THR N N 15 116.619 0.000 . 1 . . . . A 307 THR N . 30850 1 193 . 1 . 1 19 19 ALA H H 1 7.992 0.000 . 1 . . . . A 308 ALA H . 30850 1 194 . 1 . 1 19 19 ALA HA H 1 4.057 0.001 . 1 . . . . A 308 ALA HA . 30850 1 195 . 1 . 1 19 19 ALA HB1 H 1 1.365 0.000 . 1 . . . . A 308 ALA HB1 . 30850 1 196 . 1 . 1 19 19 ALA HB2 H 1 1.365 0.000 . 1 . . . . A 308 ALA HB2 . 30850 1 197 . 1 . 1 19 19 ALA HB3 H 1 1.365 0.000 . 1 . . . . A 308 ALA HB3 . 30850 1 198 . 1 . 1 19 19 ALA C C 13 179.416 0.000 . 1 . . . . A 308 ALA C . 30850 1 199 . 1 . 1 19 19 ALA CA C 13 54.968 0.000 . 1 . . . . A 308 ALA CA . 30850 1 200 . 1 . 1 19 19 ALA CB C 13 18.181 0.005 . 1 . . . . A 308 ALA CB . 30850 1 201 . 1 . 1 19 19 ALA N N 15 123.979 0.000 . 1 . . . . A 308 ALA N . 30850 1 202 . 1 . 1 20 20 CYS H H 1 7.910 0.000 . 1 . . . . A 309 CYS H . 30850 1 203 . 1 . 1 20 20 CYS HA H 1 4.279 0.000 . 1 . . . . A 309 CYS HA . 30850 1 204 . 1 . 1 20 20 CYS HB2 H 1 3.327 0.000 . 2 . . . . A 309 CYS HB2 . 30850 1 205 . 1 . 1 20 20 CYS HB3 H 1 3.327 0.000 . 2 . . . . A 309 CYS HB3 . 30850 1 206 . 1 . 1 20 20 CYS C C 13 177.145 0.000 . 1 . . . . A 309 CYS C . 30850 1 207 . 1 . 1 20 20 CYS CA C 13 59.736 0.000 . 1 . . . . A 309 CYS CA . 30850 1 208 . 1 . 1 20 20 CYS CB C 13 40.242 0.000 . 1 . . . . A 309 CYS CB . 30850 1 209 . 1 . 1 20 20 CYS N N 15 118.187 0.000 . 1 . . . . A 309 CYS N . 30850 1 210 . 1 . 1 21 21 ARG H H 1 8.430 0.000 . 1 . . . . A 310 ARG H . 30850 1 211 . 1 . 1 21 21 ARG HA H 1 4.078 0.000 . 1 . . . . A 310 ARG HA . 30850 1 212 . 1 . 1 21 21 ARG HB2 H 1 1.988 0.001 . 2 . . . . A 310 ARG HB2 . 30850 1 213 . 1 . 1 21 21 ARG HB3 H 1 1.988 0.001 . 2 . . . . A 310 ARG HB3 . 30850 1 214 . 1 . 1 21 21 ARG HG2 H 1 1.694 0.000 . 1 . . . . A 310 ARG HG2 . 30850 1 215 . 1 . 1 21 21 ARG HG3 H 1 1.778 0.001 . 1 . . . . A 310 ARG HG3 . 30850 1 216 . 1 . 1 21 21 ARG HD2 H 1 3.203 0.000 . 2 . . . . A 310 ARG HD2 . 30850 1 217 . 1 . 1 21 21 ARG HD3 H 1 3.203 0.000 . 2 . . . . A 310 ARG HD3 . 30850 1 218 . 1 . 1 21 21 ARG HE H 1 7.527 0.000 . 1 . . . . A 310 ARG HE . 30850 1 219 . 1 . 1 21 21 ARG C C 13 178.366 0.002 . 1 . . . . A 310 ARG C . 30850 1 220 . 1 . 1 21 21 ARG CA C 13 59.266 0.004 . 1 . . . . A 310 ARG CA . 30850 1 221 . 1 . 1 21 21 ARG CB C 13 29.273 0.002 . 1 . . . . A 310 ARG CB . 30850 1 222 . 1 . 1 21 21 ARG CG C 13 27.215 0.000 . 1 . . . . A 310 ARG CG . 30850 1 223 . 1 . 1 21 21 ARG CD C 13 42.933 0.002 . 1 . . . . A 310 ARG CD . 30850 1 224 . 1 . 1 21 21 ARG N N 15 122.562 0.000 . 1 . . . . A 310 ARG N . 30850 1 225 . 1 . 1 21 21 ARG NE N 15 84.003 0.001 . 1 . . . . A 310 ARG NE . 30850 1 226 . 1 . 1 22 22 ILE H H 1 8.298 0.000 . 1 . . . . A 311 ILE H . 30850 1 227 . 1 . 1 22 22 ILE HA H 1 4.057 0.000 . 1 . . . . A 311 ILE HA . 30850 1 228 . 1 . 1 22 22 ILE HB H 1 1.942 0.010 . 1 . . . . A 311 ILE HB . 30850 1 229 . 1 . 1 22 22 ILE HG12 H 1 1.292 0.000 . 2 . . . . A 311 ILE HG12 . 30850 1 230 . 1 . 1 22 22 ILE HG13 H 1 1.707 0.000 . 2 . . . . A 311 ILE HG13 . 30850 1 231 . 1 . 1 22 22 ILE HG21 H 1 1.011 0.000 . 1 . . . . A 311 ILE HG21 . 30850 1 232 . 1 . 1 22 22 ILE HG22 H 1 1.011 0.000 . 1 . . . . A 311 ILE HG22 . 30850 1 233 . 1 . 1 22 22 ILE HG23 H 1 1.011 0.000 . 1 . . . . A 311 ILE HG23 . 30850 1 234 . 1 . 1 22 22 ILE HD11 H 1 0.930 0.000 . 1 . . . . A 311 ILE HD11 . 30850 1 235 . 1 . 1 22 22 ILE HD12 H 1 0.930 0.000 . 1 . . . . A 311 ILE HD12 . 30850 1 236 . 1 . 1 22 22 ILE HD13 H 1 0.930 0.000 . 1 . . . . A 311 ILE HD13 . 30850 1 237 . 1 . 1 22 22 ILE C C 13 179.633 0.000 . 1 . . . . A 311 ILE C . 30850 1 238 . 1 . 1 22 22 ILE CA C 13 64.322 0.013 . 1 . . . . A 311 ILE CA . 30850 1 239 . 1 . 1 22 22 ILE CB C 13 37.864 0.000 . 1 . . . . A 311 ILE CB . 30850 1 240 . 1 . 1 22 22 ILE CG1 C 13 29.328 0.025 . 1 . . . . A 311 ILE CG1 . 30850 1 241 . 1 . 1 22 22 ILE CG2 C 13 17.703 0.002 . 1 . . . . A 311 ILE CG2 . 30850 1 242 . 1 . 1 22 22 ILE CD1 C 13 13.476 0.000 . 1 . . . . A 311 ILE CD1 . 30850 1 243 . 1 . 1 22 22 ILE N N 15 120.054 0.000 . 1 . . . . A 311 ILE N . 30850 1 244 . 1 . 1 23 23 ASP H H 1 8.229 0.000 . 1 . . . . A 312 ASP H . 30850 1 245 . 1 . 1 23 23 ASP HA H 1 4.453 0.000 . 1 . . . . A 312 ASP HA . 30850 1 246 . 1 . 1 23 23 ASP HB2 H 1 2.855 0.001 . 2 . . . . A 312 ASP HB2 . 30850 1 247 . 1 . 1 23 23 ASP HB3 H 1 2.736 0.000 . 2 . . . . A 312 ASP HB3 . 30850 1 248 . 1 . 1 23 23 ASP C C 13 177.851 0.000 . 1 . . . . A 312 ASP C . 30850 1 249 . 1 . 1 23 23 ASP CA C 13 57.909 0.000 . 1 . . . . A 312 ASP CA . 30850 1 250 . 1 . 1 23 23 ASP CB C 13 41.182 0.001 . 1 . . . . A 312 ASP CB . 30850 1 251 . 1 . 1 23 23 ASP CG C 13 176.493 0.000 . 1 . . . . A 312 ASP CG . 30850 1 252 . 1 . 1 23 23 ASP N N 15 123.656 0.002 . 1 . . . . A 312 ASP N . 30850 1 253 . 1 . 1 24 24 CYS H H 1 8.253 0.000 . 1 . . . . A 313 CYS H . 30850 1 254 . 1 . 1 24 24 CYS HA H 1 4.237 0.000 . 1 . . . . A 313 CYS HA . 30850 1 255 . 1 . 1 24 24 CYS HB2 H 1 3.680 0.000 . 2 . . . . A 313 CYS HB2 . 30850 1 256 . 1 . 1 24 24 CYS HB3 H 1 3.439 0.000 . 2 . . . . A 313 CYS HB3 . 30850 1 257 . 1 . 1 24 24 CYS C C 13 176.514 0.000 . 1 . . . . A 313 CYS C . 30850 1 258 . 1 . 1 24 24 CYS CA C 13 59.277 0.003 . 1 . . . . A 313 CYS CA . 30850 1 259 . 1 . 1 24 24 CYS CB C 13 42.716 0.001 . 1 . . . . A 313 CYS CB . 30850 1 260 . 1 . 1 24 24 CYS N N 15 119.002 0.000 . 1 . . . . A 313 CYS N . 30850 1 261 . 1 . 1 25 25 GLU H H 1 8.843 0.000 . 1 . . . . A 314 GLU H . 30850 1 262 . 1 . 1 25 25 GLU HA H 1 3.912 0.000 . 1 . . . . A 314 GLU HA . 30850 1 263 . 1 . 1 25 25 GLU HB2 H 1 2.299 0.000 . 2 . . . . A 314 GLU HB2 . 30850 1 264 . 1 . 1 25 25 GLU HB3 H 1 1.958 0.000 . 2 . . . . A 314 GLU HB3 . 30850 1 265 . 1 . 1 25 25 GLU HG2 H 1 2.668 0.004 . 2 . . . . A 314 GLU HG2 . 30850 1 266 . 1 . 1 25 25 GLU HG3 H 1 2.205 0.006 . 2 . . . . A 314 GLU HG3 . 30850 1 267 . 1 . 1 25 25 GLU C C 13 178.187 0.000 . 1 . . . . A 314 GLU C . 30850 1 268 . 1 . 1 25 25 GLU CA C 13 59.813 0.000 . 1 . . . . A 314 GLU CA . 30850 1 269 . 1 . 1 25 25 GLU CB C 13 29.850 0.000 . 1 . . . . A 314 GLU CB . 30850 1 270 . 1 . 1 25 25 GLU CG C 13 36.663 0.010 . 1 . . . . A 314 GLU CG . 30850 1 271 . 1 . 1 25 25 GLU CD C 13 178.821 0.000 . 1 . . . . A 314 GLU CD . 30850 1 272 . 1 . 1 25 25 GLU N N 15 120.321 0.000 . 1 . . . . A 314 GLU N . 30850 1 273 . 1 . 1 26 26 THR H H 1 8.309 0.000 . 1 . . . . A 315 THR H . 30850 1 274 . 1 . 1 26 26 THR HA H 1 4.326 0.000 . 1 . . . . A 315 THR HA . 30850 1 275 . 1 . 1 26 26 THR HB H 1 4.349 0.000 . 1 . . . . A 315 THR HB . 30850 1 276 . 1 . 1 26 26 THR HG21 H 1 1.264 0.001 . 1 . . . . A 315 THR HG21 . 30850 1 277 . 1 . 1 26 26 THR HG22 H 1 1.264 0.001 . 1 . . . . A 315 THR HG22 . 30850 1 278 . 1 . 1 26 26 THR HG23 H 1 1.264 0.001 . 1 . . . . A 315 THR HG23 . 30850 1 279 . 1 . 1 26 26 THR C C 13 176.037 0.000 . 1 . . . . A 315 THR C . 30850 1 280 . 1 . 1 26 26 THR CA C 13 67.038 0.001 . 1 . . . . A 315 THR CA . 30850 1 281 . 1 . 1 26 26 THR CB C 13 69.021 0.000 . 1 . . . . A 315 THR CB . 30850 1 282 . 1 . 1 26 26 THR CG2 C 13 21.266 0.000 . 1 . . . . A 315 THR CG2 . 30850 1 283 . 1 . 1 26 26 THR N N 15 116.201 0.000 . 1 . . . . A 315 THR N . 30850 1 284 . 1 . 1 27 27 ARG H H 1 8.028 0.000 . 1 . . . . A 316 ARG H . 30850 1 285 . 1 . 1 27 27 ARG HA H 1 3.958 0.000 . 1 . . . . A 316 ARG HA . 30850 1 286 . 1 . 1 27 27 ARG HB2 H 1 1.857 0.000 . 1 . . . . A 316 ARG HB2 . 30850 1 287 . 1 . 1 27 27 ARG HB3 H 1 2.023 0.000 . 1 . . . . A 316 ARG HB3 . 30850 1 288 . 1 . 1 27 27 ARG HG2 H 1 1.837 0.000 . 2 . . . . A 316 ARG HG2 . 30850 1 289 . 1 . 1 27 27 ARG HG3 H 1 1.653 0.000 . 2 . . . . A 316 ARG HG3 . 30850 1 290 . 1 . 1 27 27 ARG HD2 H 1 3.264 0.000 . 2 . . . . A 316 ARG HD2 . 30850 1 291 . 1 . 1 27 27 ARG HD3 H 1 3.264 0.000 . 2 . . . . A 316 ARG HD3 . 30850 1 292 . 1 . 1 27 27 ARG HE H 1 7.362 0.000 . 1 . . . . A 316 ARG HE . 30850 1 293 . 1 . 1 27 27 ARG C C 13 178.633 0.000 . 1 . . . . A 316 ARG C . 30850 1 294 . 1 . 1 27 27 ARG CA C 13 59.990 0.008 . 1 . . . . A 316 ARG CA . 30850 1 295 . 1 . 1 27 27 ARG CB C 13 30.154 0.001 . 1 . . . . A 316 ARG CB . 30850 1 296 . 1 . 1 27 27 ARG CG C 13 28.324 0.000 . 1 . . . . A 316 ARG CG . 30850 1 297 . 1 . 1 27 27 ARG CD C 13 43.731 0.000 . 1 . . . . A 316 ARG CD . 30850 1 298 . 1 . 1 27 27 ARG N N 15 120.245 0.000 . 1 . . . . A 316 ARG N . 30850 1 299 . 1 . 1 27 27 ARG NE N 15 85.406 0.000 . 1 . . . . A 316 ARG NE . 30850 1 300 . 1 . 1 28 28 TYR H H 1 8.375 0.000 . 1 . . . . A 317 TYR H . 30850 1 301 . 1 . 1 28 28 TYR HA H 1 4.019 0.000 . 1 . . . . A 317 TYR HA . 30850 1 302 . 1 . 1 28 28 TYR HB2 H 1 3.147 0.001 . 2 . . . . A 317 TYR HB2 . 30850 1 303 . 1 . 1 28 28 TYR HB3 H 1 3.010 0.001 . 2 . . . . A 317 TYR HB3 . 30850 1 304 . 1 . 1 28 28 TYR HD1 H 1 6.505 0.002 . 1 . . . . A 317 TYR HD1 . 30850 1 305 . 1 . 1 28 28 TYR HD2 H 1 6.505 0.002 . 1 . . . . A 317 TYR HD2 . 30850 1 306 . 1 . 1 28 28 TYR HE1 H 1 6.590 0.001 . 1 . . . . A 317 TYR HE1 . 30850 1 307 . 1 . 1 28 28 TYR HE2 H 1 6.590 0.001 . 1 . . . . A 317 TYR HE2 . 30850 1 308 . 1 . 1 28 28 TYR C C 13 179.207 0.000 . 1 . . . . A 317 TYR C . 30850 1 309 . 1 . 1 28 28 TYR CA C 13 62.291 0.007 . 1 . . . . A 317 TYR CA . 30850 1 310 . 1 . 1 28 28 TYR CB C 13 39.227 0.000 . 1 . . . . A 317 TYR CB . 30850 1 311 . 1 . 1 28 28 TYR CD1 C 13 133.030 0.001 . 1 . . . . A 317 TYR CD1 . 30850 1 312 . 1 . 1 28 28 TYR CD2 C 13 133.030 0.000 . 1 . . . . A 317 TYR CD2 . 30850 1 313 . 1 . 1 28 28 TYR CE1 C 13 118.097 0.007 . 1 . . . . A 317 TYR CE1 . 30850 1 314 . 1 . 1 28 28 TYR CE2 C 13 118.097 0.000 . 1 . . . . A 317 TYR CE2 . 30850 1 315 . 1 . 1 28 28 TYR N N 15 119.401 0.000 . 1 . . . . A 317 TYR N . 30850 1 316 . 1 . 1 29 29 LEU H H 1 8.568 0.000 . 1 . . . . A 318 LEU H . 30850 1 317 . 1 . 1 29 29 LEU HA H 1 3.892 0.000 . 1 . . . . A 318 LEU HA . 30850 1 318 . 1 . 1 29 29 LEU HB2 H 1 2.131 0.000 . 2 . . . . A 318 LEU HB2 . 30850 1 319 . 1 . 1 29 29 LEU HB3 H 1 1.946 0.006 . 2 . . . . A 318 LEU HB3 . 30850 1 320 . 1 . 1 29 29 LEU HG H 1 2.009 0.000 . 1 . . . . A 318 LEU HG . 30850 1 321 . 1 . 1 29 29 LEU HD11 H 1 1.015 0.000 . 1 . . . . A 318 LEU HD11 . 30850 1 322 . 1 . 1 29 29 LEU HD12 H 1 1.015 0.000 . 1 . . . . A 318 LEU HD12 . 30850 1 323 . 1 . 1 29 29 LEU HD13 H 1 1.015 0.000 . 1 . . . . A 318 LEU HD13 . 30850 1 324 . 1 . 1 29 29 LEU HD21 H 1 0.982 0.001 . 1 . . . . A 318 LEU HD21 . 30850 1 325 . 1 . 1 29 29 LEU HD22 H 1 0.982 0.001 . 1 . . . . A 318 LEU HD22 . 30850 1 326 . 1 . 1 29 29 LEU HD23 H 1 0.982 0.001 . 1 . . . . A 318 LEU HD23 . 30850 1 327 . 1 . 1 29 29 LEU C C 13 179.595 0.000 . 1 . . . . A 318 LEU C . 30850 1 328 . 1 . 1 29 29 LEU CA C 13 58.505 0.000 . 1 . . . . A 318 LEU CA . 30850 1 329 . 1 . 1 29 29 LEU CB C 13 40.947 0.003 . 1 . . . . A 318 LEU CB . 30850 1 330 . 1 . 1 29 29 LEU CG C 13 28.035 0.000 . 1 . . . . A 318 LEU CG . 30850 1 331 . 1 . 1 29 29 LEU CD1 C 13 25.498 0.002 . 1 . . . . A 318 LEU CD1 . 30850 1 332 . 1 . 1 29 29 LEU CD2 C 13 25.697 0.000 . 1 . . . . A 318 LEU CD2 . 30850 1 333 . 1 . 1 29 29 LEU N N 15 121.941 0.000 . 1 . . . . A 318 LEU N . 30850 1 334 . 1 . 1 30 30 VAL H H 1 8.831 0.000 . 1 . . . . A 319 VAL H . 30850 1 335 . 1 . 1 30 30 VAL HA H 1 3.430 0.001 . 1 . . . . A 319 VAL HA . 30850 1 336 . 1 . 1 30 30 VAL HB H 1 2.081 0.000 . 1 . . . . A 319 VAL HB . 30850 1 337 . 1 . 1 30 30 VAL HG11 H 1 0.865 0.000 . 2 . . . . A 319 VAL HG11 . 30850 1 338 . 1 . 1 30 30 VAL HG12 H 1 0.865 0.000 . 2 . . . . A 319 VAL HG12 . 30850 1 339 . 1 . 1 30 30 VAL HG13 H 1 0.865 0.000 . 2 . . . . A 319 VAL HG13 . 30850 1 340 . 1 . 1 30 30 VAL HG21 H 1 0.832 0.000 . 2 . . . . A 319 VAL HG21 . 30850 1 341 . 1 . 1 30 30 VAL HG22 H 1 0.832 0.000 . 2 . . . . A 319 VAL HG22 . 30850 1 342 . 1 . 1 30 30 VAL HG23 H 1 0.832 0.000 . 2 . . . . A 319 VAL HG23 . 30850 1 343 . 1 . 1 30 30 VAL C C 13 179.595 0.000 . 1 . . . . A 319 VAL C . 30850 1 344 . 1 . 1 30 30 VAL CA C 13 67.687 0.000 . 1 . . . . A 319 VAL CA . 30850 1 345 . 1 . 1 30 30 VAL CB C 13 31.387 0.000 . 1 . . . . A 319 VAL CB . 30850 1 346 . 1 . 1 30 30 VAL CG1 C 13 23.716 0.001 . 1 . . . . A 319 VAL CG1 . 30850 1 347 . 1 . 1 30 30 VAL CG2 C 13 21.333 0.000 . 1 . . . . A 319 VAL CG2 . 30850 1 348 . 1 . 1 30 30 VAL N N 15 121.489 0.000 . 1 . . . . A 319 VAL N . 30850 1 349 . 1 . 1 31 31 GLU H H 1 8.333 0.000 . 1 . . . . A 320 GLU H . 30850 1 350 . 1 . 1 31 31 GLU HA H 1 3.961 0.000 . 1 . . . . A 320 GLU HA . 30850 1 351 . 1 . 1 31 31 GLU HB2 H 1 1.855 0.001 . 2 . . . . A 320 GLU HB2 . 30850 1 352 . 1 . 1 31 31 GLU HB3 H 1 2.060 0.007 . 2 . . . . A 320 GLU HB3 . 30850 1 353 . 1 . 1 31 31 GLU HG2 H 1 2.142 0.000 . 1 . . . . A 320 GLU HG2 . 30850 1 354 . 1 . 1 31 31 GLU HG3 H 1 2.356 0.004 . 1 . . . . A 320 GLU HG3 . 30850 1 355 . 1 . 1 31 31 GLU C C 13 177.908 0.000 . 1 . . . . A 320 GLU C . 30850 1 356 . 1 . 1 31 31 GLU CA C 13 59.350 0.001 . 1 . . . . A 320 GLU CA . 30850 1 357 . 1 . 1 31 31 GLU CB C 13 29.817 0.000 . 1 . . . . A 320 GLU CB . 30850 1 358 . 1 . 1 31 31 GLU CG C 13 36.490 0.000 . 1 . . . . A 320 GLU CG . 30850 1 359 . 1 . 1 31 31 GLU CD C 13 180.950 0.000 . 1 . . . . A 320 GLU CD . 30850 1 360 . 1 . 1 31 31 GLU N N 15 119.181 0.000 . 1 . . . . A 320 GLU N . 30850 1 361 . 1 . 1 32 32 ASN H H 1 7.730 0.000 . 1 . . . . A 321 ASN H . 30850 1 362 . 1 . 1 32 32 ASN HA H 1 4.489 0.000 . 1 . . . . A 321 ASN HA . 30850 1 363 . 1 . 1 32 32 ASN HB2 H 1 2.319 0.001 . 2 . . . . A 321 ASN HB2 . 30850 1 364 . 1 . 1 32 32 ASN HB3 H 1 2.256 0.003 . 2 . . . . A 321 ASN HB3 . 30850 1 365 . 1 . 1 32 32 ASN HD21 H 1 6.455 0.000 . 2 . . . . A 321 ASN HD21 . 30850 1 366 . 1 . 1 32 32 ASN HD22 H 1 6.249 0.000 . 2 . . . . A 321 ASN HD22 . 30850 1 367 . 1 . 1 32 32 ASN C C 13 176.220 0.000 . 1 . . . . A 321 ASN C . 30850 1 368 . 1 . 1 32 32 ASN CA C 13 56.166 0.000 . 1 . . . . A 321 ASN CA . 30850 1 369 . 1 . 1 32 32 ASN CB C 13 40.245 0.001 . 1 . . . . A 321 ASN CB . 30850 1 370 . 1 . 1 32 32 ASN N N 15 113.082 0.000 . 1 . . . . A 321 ASN N . 30850 1 371 . 1 . 1 32 32 ASN ND2 N 15 114.760 0.009 . 1 . . . . A 321 ASN ND2 . 30850 1 372 . 1 . 1 33 33 CYS H H 1 8.857 0.000 . 1 . . . . A 322 CYS H . 30850 1 373 . 1 . 1 33 33 CYS HA H 1 4.981 0.000 . 1 . . . . A 322 CYS HA . 30850 1 374 . 1 . 1 33 33 CYS HB2 H 1 3.230 0.000 . 2 . . . . A 322 CYS HB2 . 30850 1 375 . 1 . 1 33 33 CYS HB3 H 1 2.792 0.002 . 2 . . . . A 322 CYS HB3 . 30850 1 376 . 1 . 1 33 33 CYS C C 13 174.629 0.000 . 1 . . . . A 322 CYS C . 30850 1 377 . 1 . 1 33 33 CYS CA C 13 52.852 0.008 . 1 . . . . A 322 CYS CA . 30850 1 378 . 1 . 1 33 33 CYS CB C 13 41.176 0.000 . 1 . . . . A 322 CYS CB . 30850 1 379 . 1 . 1 33 33 CYS N N 15 114.622 0.000 . 1 . . . . A 322 CYS N . 30850 1 380 . 1 . 1 34 34 ASN H H 1 8.114 0.000 . 1 . . . . A 323 ASN H . 30850 1 381 . 1 . 1 34 34 ASN HA H 1 4.666 0.000 . 1 . . . . A 323 ASN HA . 30850 1 382 . 1 . 1 34 34 ASN HB2 H 1 3.051 0.000 . 2 . . . . A 323 ASN HB2 . 30850 1 383 . 1 . 1 34 34 ASN HB3 H 1 2.689 0.000 . 2 . . . . A 323 ASN HB3 . 30850 1 384 . 1 . 1 34 34 ASN HD21 H 1 7.345 0.000 . 2 . . . . A 323 ASN HD21 . 30850 1 385 . 1 . 1 34 34 ASN HD22 H 1 6.726 0.000 . 2 . . . . A 323 ASN HD22 . 30850 1 386 . 1 . 1 34 34 ASN C C 13 173.451 0.000 . 1 . . . . A 323 ASN C . 30850 1 387 . 1 . 1 34 34 ASN CA C 13 54.209 0.001 . 1 . . . . A 323 ASN CA . 30850 1 388 . 1 . 1 34 34 ASN CB C 13 37.686 0.000 . 1 . . . . A 323 ASN CB . 30850 1 389 . 1 . 1 34 34 ASN N N 15 116.263 0.000 . 1 . . . . A 323 ASN N . 30850 1 390 . 1 . 1 34 34 ASN ND2 N 15 111.403 0.008 . 1 . . . . A 323 ASN ND2 . 30850 1 391 . 1 . 1 35 35 CYS H H 1 7.429 0.000 . 1 . . . . A 324 CYS H . 30850 1 392 . 1 . 1 35 35 CYS HA H 1 5.026 0.006 . 1 . . . . A 324 CYS HA . 30850 1 393 . 1 . 1 35 35 CYS HB2 H 1 2.995 0.002 . 2 . . . . A 324 CYS HB2 . 30850 1 394 . 1 . 1 35 35 CYS HB3 H 1 3.147 0.001 . 2 . . . . A 324 CYS HB3 . 30850 1 395 . 1 . 1 35 35 CYS C C 13 168.404 0.000 . 1 . . . . A 324 CYS C . 30850 1 396 . 1 . 1 35 35 CYS CA C 13 54.538 0.013 . 1 . . . . A 324 CYS CA . 30850 1 397 . 1 . 1 35 35 CYS CB C 13 44.572 0.000 . 1 . . . . A 324 CYS CB . 30850 1 398 . 1 . 1 35 35 CYS N N 15 110.553 0.000 . 1 . . . . A 324 CYS N . 30850 1 399 . 1 . 1 36 36 ARG H H 1 8.582 0.000 . 1 . . . . A 325 ARG H . 30850 1 400 . 1 . 1 36 36 ARG HA H 1 4.925 0.000 . 1 . . . . A 325 ARG HA . 30850 1 401 . 1 . 1 36 36 ARG HB2 H 1 1.506 0.000 . 2 . . . . A 325 ARG HB2 . 30850 1 402 . 1 . 1 36 36 ARG HB3 H 1 1.506 0.000 . 2 . . . . A 325 ARG HB3 . 30850 1 403 . 1 . 1 36 36 ARG HG2 H 1 1.305 0.001 . 1 . . . . A 325 ARG HG2 . 30850 1 404 . 1 . 1 36 36 ARG HG3 H 1 0.985 0.000 . 1 . . . . A 325 ARG HG3 . 30850 1 405 . 1 . 1 36 36 ARG HD2 H 1 2.567 0.000 . 2 . . . . A 325 ARG HD2 . 30850 1 406 . 1 . 1 36 36 ARG HD3 H 1 2.835 0.003 . 2 . . . . A 325 ARG HD3 . 30850 1 407 . 1 . 1 36 36 ARG HE H 1 7.001 0.000 . 1 . . . . A 325 ARG HE . 30850 1 408 . 1 . 1 36 36 ARG C C 13 175.696 0.000 . 1 . . . . A 325 ARG C . 30850 1 409 . 1 . 1 36 36 ARG CA C 13 52.630 0.003 . 1 . . . . A 325 ARG CA . 30850 1 410 . 1 . 1 36 36 ARG CB C 13 34.024 0.015 . 1 . . . . A 325 ARG CB . 30850 1 411 . 1 . 1 36 36 ARG CG C 13 25.842 0.003 . 1 . . . . A 325 ARG CG . 30850 1 412 . 1 . 1 36 36 ARG CD C 13 42.774 0.000 . 1 . . . . A 325 ARG CD . 30850 1 413 . 1 . 1 36 36 ARG N N 15 111.841 0.000 . 1 . . . . A 325 ARG N . 30850 1 414 . 1 . 1 36 36 ARG NE N 15 86.048 0.000 . 1 . . . . A 325 ARG NE . 30850 1 415 . 1 . 1 37 37 MET H H 1 7.619 0.000 . 1 . . . . A 326 MET H . 30850 1 416 . 1 . 1 37 37 MET HA H 1 4.663 0.000 . 1 . . . . A 326 MET HA . 30850 1 417 . 1 . 1 37 37 MET HB2 H 1 1.749 0.000 . 1 . . . . A 326 MET HB2 . 30850 1 418 . 1 . 1 37 37 MET HB3 H 1 2.572 0.002 . 1 . . . . A 326 MET HB3 . 30850 1 419 . 1 . 1 37 37 MET HG2 H 1 2.574 0.000 . 2 . . . . A 326 MET HG2 . 30850 1 420 . 1 . 1 37 37 MET HG3 H 1 2.453 0.001 . 2 . . . . A 326 MET HG3 . 30850 1 421 . 1 . 1 37 37 MET HE1 H 1 2.113 0.000 . 1 . . . . A 326 MET HE1 . 30850 1 422 . 1 . 1 37 37 MET HE2 H 1 2.113 0.000 . 1 . . . . A 326 MET HE2 . 30850 1 423 . 1 . 1 37 37 MET HE3 H 1 2.113 0.000 . 1 . . . . A 326 MET HE3 . 30850 1 424 . 1 . 1 37 37 MET C C 13 178.095 0.000 . 1 . . . . A 326 MET C . 30850 1 425 . 1 . 1 37 37 MET CA C 13 55.521 0.003 . 1 . . . . A 326 MET CA . 30850 1 426 . 1 . 1 37 37 MET CB C 13 34.371 0.002 . 1 . . . . A 326 MET CB . 30850 1 427 . 1 . 1 37 37 MET CG C 13 32.983 0.000 . 1 . . . . A 326 MET CG . 30850 1 428 . 1 . 1 37 37 MET CE C 13 18.278 0.000 . 1 . . . . A 326 MET CE . 30850 1 429 . 1 . 1 37 37 MET N N 15 120.452 0.000 . 1 . . . . A 326 MET N . 30850 1 430 . 1 . 1 38 38 VAL H H 1 8.163 0.000 . 1 . . . . A 327 VAL H . 30850 1 431 . 1 . 1 38 38 VAL HA H 1 3.894 0.000 . 1 . . . . A 327 VAL HA . 30850 1 432 . 1 . 1 38 38 VAL HB H 1 1.963 0.000 . 1 . . . . A 327 VAL HB . 30850 1 433 . 1 . 1 38 38 VAL HG11 H 1 0.775 0.000 . 2 . . . . A 327 VAL HG11 . 30850 1 434 . 1 . 1 38 38 VAL HG12 H 1 0.775 0.000 . 2 . . . . A 327 VAL HG12 . 30850 1 435 . 1 . 1 38 38 VAL HG13 H 1 0.775 0.000 . 2 . . . . A 327 VAL HG13 . 30850 1 436 . 1 . 1 38 38 VAL HG21 H 1 0.775 0.000 . 2 . . . . A 327 VAL HG21 . 30850 1 437 . 1 . 1 38 38 VAL HG22 H 1 0.775 0.000 . 2 . . . . A 327 VAL HG22 . 30850 1 438 . 1 . 1 38 38 VAL HG23 H 1 0.775 0.000 . 2 . . . . A 327 VAL HG23 . 30850 1 439 . 1 . 1 38 38 VAL C C 13 175.978 0.000 . 1 . . . . A 327 VAL C . 30850 1 440 . 1 . 1 38 38 VAL CA C 13 64.658 0.002 . 1 . . . . A 327 VAL CA . 30850 1 441 . 1 . 1 38 38 VAL CB C 13 31.644 0.000 . 1 . . . . A 327 VAL CB . 30850 1 442 . 1 . 1 38 38 VAL CG1 C 13 20.317 0.000 . 1 . . . . A 327 VAL CG1 . 30850 1 443 . 1 . 1 38 38 VAL CG2 C 13 20.317 0.000 . 1 . . . . A 327 VAL CG2 . 30850 1 444 . 1 . 1 38 38 VAL N N 15 115.387 0.000 . 1 . . . . A 327 VAL N . 30850 1 445 . 1 . 1 39 39 HIS H H 1 7.970 0.000 . 1 . . . . A 328 HIS H . 30850 1 446 . 1 . 1 39 39 HIS HA H 1 4.730 0.000 . 1 . . . . A 328 HIS HA . 30850 1 447 . 1 . 1 39 39 HIS HB2 H 1 3.387 0.000 . 2 . . . . A 328 HIS HB2 . 30850 1 448 . 1 . 1 39 39 HIS HB3 H 1 2.920 0.000 . 2 . . . . A 328 HIS HB3 . 30850 1 449 . 1 . 1 39 39 HIS HD2 H 1 6.891 0.001 . 1 . . . . A 328 HIS HD2 . 30850 1 450 . 1 . 1 39 39 HIS HE1 H 1 7.943 0.000 . 1 . . . . A 328 HIS HE1 . 30850 1 451 . 1 . 1 39 39 HIS C C 13 175.435 0.000 . 1 . . . . A 328 HIS C . 30850 1 452 . 1 . 1 39 39 HIS CA C 13 56.524 0.000 . 1 . . . . A 328 HIS CA . 30850 1 453 . 1 . 1 39 39 HIS CB C 13 30.251 0.000 . 1 . . . . A 328 HIS CB . 30850 1 454 . 1 . 1 39 39 HIS CD2 C 13 118.092 0.013 . 1 . . . . A 328 HIS CD2 . 30850 1 455 . 1 . 1 39 39 HIS CE1 C 13 139.274 0.000 . 1 . . . . A 328 HIS CE1 . 30850 1 456 . 1 . 1 39 39 HIS N N 15 115.599 0.000 . 1 . . . . A 328 HIS N . 30850 1 457 . 1 . 1 40 40 MET H H 1 7.488 0.000 . 1 . . . . A 329 MET H . 30850 1 458 . 1 . 1 40 40 MET HA H 1 4.237 0.000 . 1 . . . . A 329 MET HA . 30850 1 459 . 1 . 1 40 40 MET HB2 H 1 1.957 0.000 . 2 . . . . A 329 MET HB2 . 30850 1 460 . 1 . 1 40 40 MET HB3 H 1 2.342 0.001 . 2 . . . . A 329 MET HB3 . 30850 1 461 . 1 . 1 40 40 MET HG2 H 1 2.282 0.001 . 2 . . . . A 329 MET HG2 . 30850 1 462 . 1 . 1 40 40 MET HG3 H 1 1.725 0.001 . 2 . . . . A 329 MET HG3 . 30850 1 463 . 1 . 1 40 40 MET HE1 H 1 2.175 0.000 . 1 . . . . A 329 MET HE1 . 30850 1 464 . 1 . 1 40 40 MET HE2 H 1 2.175 0.000 . 1 . . . . A 329 MET HE2 . 30850 1 465 . 1 . 1 40 40 MET HE3 H 1 2.175 0.000 . 1 . . . . A 329 MET HE3 . 30850 1 466 . 1 . 1 40 40 MET C C 13 173.777 0.000 . 1 . . . . A 329 MET C . 30850 1 467 . 1 . 1 40 40 MET CA C 13 55.248 0.001 . 1 . . . . A 329 MET CA . 30850 1 468 . 1 . 1 40 40 MET CB C 13 32.100 0.000 . 1 . . . . A 329 MET CB . 30850 1 469 . 1 . 1 40 40 MET CG C 13 34.250 0.000 . 1 . . . . A 329 MET CG . 30850 1 470 . 1 . 1 40 40 MET CE C 13 19.262 0.008 . 1 . . . . A 329 MET CE . 30850 1 471 . 1 . 1 40 40 MET N N 15 122.422 0.000 . 1 . . . . A 329 MET N . 30850 1 472 . 1 . 1 41 41 PRO HA H 1 4.652 0.001 . 1 . . . . A 330 PRO HA . 30850 1 473 . 1 . 1 41 41 PRO HB2 H 1 2.212 0.000 . 2 . . . . A 330 PRO HB2 . 30850 1 474 . 1 . 1 41 41 PRO HB3 H 1 2.091 0.004 . 2 . . . . A 330 PRO HB3 . 30850 1 475 . 1 . 1 41 41 PRO HG2 H 1 2.066 0.001 . 2 . . . . A 330 PRO HG2 . 30850 1 476 . 1 . 1 41 41 PRO HG3 H 1 1.946 0.000 . 2 . . . . A 330 PRO HG3 . 30850 1 477 . 1 . 1 41 41 PRO HD2 H 1 3.984 0.000 . 1 . . . . A 330 PRO HD2 . 30850 1 478 . 1 . 1 41 41 PRO HD3 H 1 3.594 0.004 . 1 . . . . A 330 PRO HD3 . 30850 1 479 . 1 . 1 41 41 PRO C C 13 175.086 0.000 . 1 . . . . A 330 PRO C . 30850 1 480 . 1 . 1 41 41 PRO CA C 13 62.544 0.000 . 1 . . . . A 330 PRO CA . 30850 1 481 . 1 . 1 41 41 PRO CB C 13 32.829 0.001 . 1 . . . . A 330 PRO CB . 30850 1 482 . 1 . 1 41 41 PRO CG C 13 26.360 0.009 . 1 . . . . A 330 PRO CG . 30850 1 483 . 1 . 1 41 41 PRO CD C 13 49.717 0.001 . 1 . . . . A 330 PRO CD . 30850 1 484 . 1 . 1 42 42 GLY H H 1 8.034 0.000 . 1 . . . . A 331 GLY H . 30850 1 485 . 1 . 1 42 42 GLY HA2 H 1 4.297 0.000 . 2 . . . . A 331 GLY HA2 . 30850 1 486 . 1 . 1 42 42 GLY HA3 H 1 3.603 0.000 . 2 . . . . A 331 GLY HA3 . 30850 1 487 . 1 . 1 42 42 GLY C C 13 172.840 0.000 . 1 . . . . A 331 GLY C . 30850 1 488 . 1 . 1 42 42 GLY CA C 13 44.597 0.000 . 1 . . . . A 331 GLY CA . 30850 1 489 . 1 . 1 42 42 GLY N N 15 104.219 0.000 . 1 . . . . A 331 GLY N . 30850 1 490 . 1 . 1 43 43 ASP H H 1 7.901 0.000 . 1 . . . . A 332 ASP H . 30850 1 491 . 1 . 1 43 43 ASP HA H 1 4.643 0.000 . 1 . . . . A 332 ASP HA . 30850 1 492 . 1 . 1 43 43 ASP HB2 H 1 2.567 0.001 . 2 . . . . A 332 ASP HB2 . 30850 1 493 . 1 . 1 43 43 ASP HB3 H 1 2.503 0.000 . 2 . . . . A 332 ASP HB3 . 30850 1 494 . 1 . 1 43 43 ASP C C 13 176.710 0.000 . 1 . . . . A 332 ASP C . 30850 1 495 . 1 . 1 43 43 ASP CA C 13 53.280 0.003 . 1 . . . . A 332 ASP CA . 30850 1 496 . 1 . 1 43 43 ASP CB C 13 42.087 0.002 . 1 . . . . A 332 ASP CB . 30850 1 497 . 1 . 1 43 43 ASP CG C 13 178.070 0.000 . 1 . . . . A 332 ASP CG . 30850 1 498 . 1 . 1 43 43 ASP N N 15 116.130 0.000 . 1 . . . . A 332 ASP N . 30850 1 499 . 1 . 1 44 44 ALA H H 1 7.914 0.000 . 1 . . . . A 333 ALA H . 30850 1 500 . 1 . 1 44 44 ALA HA H 1 4.339 0.000 . 1 . . . . A 333 ALA HA . 30850 1 501 . 1 . 1 44 44 ALA HB1 H 1 1.120 0.000 . 1 . . . . A 333 ALA HB1 . 30850 1 502 . 1 . 1 44 44 ALA HB2 H 1 1.120 0.000 . 1 . . . . A 333 ALA HB2 . 30850 1 503 . 1 . 1 44 44 ALA HB3 H 1 1.120 0.000 . 1 . . . . A 333 ALA HB3 . 30850 1 504 . 1 . 1 44 44 ALA C C 13 174.380 0.000 . 1 . . . . A 333 ALA C . 30850 1 505 . 1 . 1 44 44 ALA CA C 13 51.319 0.002 . 1 . . . . A 333 ALA CA . 30850 1 506 . 1 . 1 44 44 ALA CB C 13 17.291 0.000 . 1 . . . . A 333 ALA CB . 30850 1 507 . 1 . 1 44 44 ALA N N 15 124.141 0.001 . 1 . . . . A 333 ALA N . 30850 1 508 . 1 . 1 45 45 PRO HA H 1 4.241 0.000 . 1 . . . . A 334 PRO HA . 30850 1 509 . 1 . 1 45 45 PRO HB2 H 1 2.284 0.000 . 2 . . . . A 334 PRO HB2 . 30850 1 510 . 1 . 1 45 45 PRO HB3 H 1 1.834 0.000 . 2 . . . . A 334 PRO HB3 . 30850 1 511 . 1 . 1 45 45 PRO HG2 H 1 2.128 0.000 . 2 . . . . A 334 PRO HG2 . 30850 1 512 . 1 . 1 45 45 PRO HG3 H 1 1.983 0.000 . 2 . . . . A 334 PRO HG3 . 30850 1 513 . 1 . 1 45 45 PRO HD2 H 1 3.673 0.000 . 2 . . . . A 334 PRO HD2 . 30850 1 514 . 1 . 1 45 45 PRO HD3 H 1 3.484 0.000 . 2 . . . . A 334 PRO HD3 . 30850 1 515 . 1 . 1 45 45 PRO C C 13 176.803 0.000 . 1 . . . . A 334 PRO C . 30850 1 516 . 1 . 1 45 45 PRO CA C 13 62.451 0.000 . 1 . . . . A 334 PRO CA . 30850 1 517 . 1 . 1 45 45 PRO CB C 13 32.032 0.001 . 1 . . . . A 334 PRO CB . 30850 1 518 . 1 . 1 45 45 PRO CG C 13 27.928 0.004 . 1 . . . . A 334 PRO CG . 30850 1 519 . 1 . 1 45 45 PRO CD C 13 50.004 0.007 . 1 . . . . A 334 PRO CD . 30850 1 520 . 1 . 1 46 46 TYR H H 1 8.334 0.000 . 1 . . . . A 335 TYR H . 30850 1 521 . 1 . 1 46 46 TYR HA H 1 5.178 0.001 . 1 . . . . A 335 TYR HA . 30850 1 522 . 1 . 1 46 46 TYR HB2 H 1 3.163 0.000 . 2 . . . . A 335 TYR HB2 . 30850 1 523 . 1 . 1 46 46 TYR HB3 H 1 2.694 0.000 . 2 . . . . A 335 TYR HB3 . 30850 1 524 . 1 . 1 46 46 TYR HD1 H 1 7.020 0.001 . 1 . . . . A 335 TYR HD1 . 30850 1 525 . 1 . 1 46 46 TYR HD2 H 1 7.020 0.001 . 1 . . . . A 335 TYR HD2 . 30850 1 526 . 1 . 1 46 46 TYR HE1 H 1 6.798 0.000 . 1 . . . . A 335 TYR HE1 . 30850 1 527 . 1 . 1 46 46 TYR HE2 H 1 6.798 0.000 . 1 . . . . A 335 TYR HE2 . 30850 1 528 . 1 . 1 46 46 TYR C C 13 178.919 0.000 . 1 . . . . A 335 TYR C . 30850 1 529 . 1 . 1 46 46 TYR CA C 13 57.314 0.017 . 1 . . . . A 335 TYR CA . 30850 1 530 . 1 . 1 46 46 TYR CB C 13 37.779 0.001 . 1 . . . . A 335 TYR CB . 30850 1 531 . 1 . 1 46 46 TYR CD1 C 13 132.443 0.000 . 1 . . . . A 335 TYR CD1 . 30850 1 532 . 1 . 1 46 46 TYR CD2 C 13 132.443 0.003 . 1 . . . . A 335 TYR CD2 . 30850 1 533 . 1 . 1 46 46 TYR CE1 C 13 117.926 0.000 . 1 . . . . A 335 TYR CE1 . 30850 1 534 . 1 . 1 46 46 TYR CE2 C 13 117.926 0.001 . 1 . . . . A 335 TYR CE2 . 30850 1 535 . 1 . 1 46 46 TYR N N 15 120.150 0.000 . 1 . . . . A 335 TYR N . 30850 1 536 . 1 . 1 47 47 CYS H H 1 8.969 0.000 . 1 . . . . A 336 CYS H . 30850 1 537 . 1 . 1 47 47 CYS HA H 1 4.676 0.000 . 1 . . . . A 336 CYS HA . 30850 1 538 . 1 . 1 47 47 CYS HB2 H 1 2.868 0.000 . 2 . . . . A 336 CYS HB2 . 30850 1 539 . 1 . 1 47 47 CYS HB3 H 1 2.282 0.003 . 2 . . . . A 336 CYS HB3 . 30850 1 540 . 1 . 1 47 47 CYS C C 13 175.394 0.000 . 1 . . . . A 336 CYS C . 30850 1 541 . 1 . 1 47 47 CYS CA C 13 55.019 0.000 . 1 . . . . A 336 CYS CA . 30850 1 542 . 1 . 1 47 47 CYS CB C 13 40.837 0.001 . 1 . . . . A 336 CYS CB . 30850 1 543 . 1 . 1 47 47 CYS N N 15 122.378 0.001 . 1 . . . . A 336 CYS N . 30850 1 544 . 1 . 1 48 48 THR H H 1 9.306 0.000 . 1 . . . . A 337 THR H . 30850 1 545 . 1 . 1 48 48 THR HA H 1 4.696 0.000 . 1 . . . . A 337 THR HA . 30850 1 546 . 1 . 1 48 48 THR HB H 1 4.901 0.000 . 1 . . . . A 337 THR HB . 30850 1 547 . 1 . 1 48 48 THR HG1 H 1 5.789 0.000 . 1 . . . . A 337 THR HG1 . 30850 1 548 . 1 . 1 48 48 THR HG21 H 1 1.462 0.000 . 1 . . . . A 337 THR HG21 . 30850 1 549 . 1 . 1 48 48 THR HG22 H 1 1.462 0.000 . 1 . . . . A 337 THR HG22 . 30850 1 550 . 1 . 1 48 48 THR HG23 H 1 1.462 0.000 . 1 . . . . A 337 THR HG23 . 30850 1 551 . 1 . 1 48 48 THR C C 13 173.418 0.000 . 1 . . . . A 337 THR C . 30850 1 552 . 1 . 1 48 48 THR CA C 13 60.647 0.000 . 1 . . . . A 337 THR CA . 30850 1 553 . 1 . 1 48 48 THR CB C 13 68.325 0.009 . 1 . . . . A 337 THR CB . 30850 1 554 . 1 . 1 48 48 THR CG2 C 13 21.929 0.000 . 1 . . . . A 337 THR CG2 . 30850 1 555 . 1 . 1 48 48 THR N N 15 117.746 0.001 . 1 . . . . A 337 THR N . 30850 1 556 . 1 . 1 49 49 PRO HA H 1 4.372 0.000 . 1 . . . . A 338 PRO HA . 30850 1 557 . 1 . 1 49 49 PRO HB2 H 1 2.416 0.000 . 2 . . . . A 338 PRO HB2 . 30850 1 558 . 1 . 1 49 49 PRO HB3 H 1 2.416 0.000 . 2 . . . . A 338 PRO HB3 . 30850 1 559 . 1 . 1 49 49 PRO HG2 H 1 2.262 0.000 . 1 . . . . A 338 PRO HG2 . 30850 1 560 . 1 . 1 49 49 PRO HG3 H 1 2.031 0.000 . 1 . . . . A 338 PRO HG3 . 30850 1 561 . 1 . 1 49 49 PRO HD2 H 1 3.961 0.000 . 1 . . . . A 338 PRO HD2 . 30850 1 562 . 1 . 1 49 49 PRO HD3 H 1 4.003 0.000 . 1 . . . . A 338 PRO HD3 . 30850 1 563 . 1 . 1 49 49 PRO C C 13 179.719 0.000 . 1 . . . . A 338 PRO C . 30850 1 564 . 1 . 1 49 49 PRO CA C 13 66.554 0.000 . 1 . . . . A 338 PRO CA . 30850 1 565 . 1 . 1 49 49 PRO CB C 13 31.708 0.015 . 1 . . . . A 338 PRO CB . 30850 1 566 . 1 . 1 49 49 PRO CG C 13 28.489 0.000 . 1 . . . . A 338 PRO CG . 30850 1 567 . 1 . 1 49 49 PRO CD C 13 50.195 0.001 . 1 . . . . A 338 PRO CD . 30850 1 568 . 1 . 1 50 50 GLU H H 1 8.718 0.000 . 1 . . . . A 339 GLU H . 30850 1 569 . 1 . 1 50 50 GLU HA H 1 4.092 0.000 . 1 . . . . A 339 GLU HA . 30850 1 570 . 1 . 1 50 50 GLU HB2 H 1 2.050 0.000 . 1 . . . . A 339 GLU HB2 . 30850 1 571 . 1 . 1 50 50 GLU HB3 H 1 1.961 0.000 . 1 . . . . A 339 GLU HB3 . 30850 1 572 . 1 . 1 50 50 GLU HG2 H 1 2.437 0.001 . 2 . . . . A 339 GLU HG2 . 30850 1 573 . 1 . 1 50 50 GLU HG3 H 1 2.254 0.004 . 2 . . . . A 339 GLU HG3 . 30850 1 574 . 1 . 1 50 50 GLU C C 13 178.406 0.000 . 1 . . . . A 339 GLU C . 30850 1 575 . 1 . 1 50 50 GLU CA C 13 60.598 0.000 . 1 . . . . A 339 GLU CA . 30850 1 576 . 1 . 1 50 50 GLU CB C 13 28.911 0.000 . 1 . . . . A 339 GLU CB . 30850 1 577 . 1 . 1 50 50 GLU CG C 13 37.194 0.012 . 1 . . . . A 339 GLU CG . 30850 1 578 . 1 . 1 50 50 GLU CD C 13 181.779 0.000 . 1 . . . . A 339 GLU CD . 30850 1 579 . 1 . 1 50 50 GLU N N 15 117.918 0.000 . 1 . . . . A 339 GLU N . 30850 1 580 . 1 . 1 51 51 GLN H H 1 7.820 0.000 . 1 . . . . A 340 GLN H . 30850 1 581 . 1 . 1 51 51 GLN HA H 1 4.182 0.000 . 1 . . . . A 340 GLN HA . 30850 1 582 . 1 . 1 51 51 GLN HB2 H 1 2.000 0.000 . 2 . . . . A 340 GLN HB2 . 30850 1 583 . 1 . 1 51 51 GLN HB3 H 1 2.000 0.000 . 2 . . . . A 340 GLN HB3 . 30850 1 584 . 1 . 1 51 51 GLN HG2 H 1 2.500 0.002 . 2 . . . . A 340 GLN HG2 . 30850 1 585 . 1 . 1 51 51 GLN HG3 H 1 2.500 0.002 . 2 . . . . A 340 GLN HG3 . 30850 1 586 . 1 . 1 51 51 GLN HE21 H 1 7.552 0.000 . 1 . . . . A 340 GLN HE21 . 30850 1 587 . 1 . 1 51 51 GLN HE22 H 1 6.881 0.000 . 1 . . . . A 340 GLN HE22 . 30850 1 588 . 1 . 1 51 51 GLN C C 13 180.900 0.000 . 1 . . . . A 340 GLN C . 30850 1 589 . 1 . 1 51 51 GLN CA C 13 58.924 0.001 . 1 . . . . A 340 GLN CA . 30850 1 590 . 1 . 1 51 51 GLN CB C 13 30.727 0.000 . 1 . . . . A 340 GLN CB . 30850 1 591 . 1 . 1 51 51 GLN CG C 13 35.212 0.006 . 1 . . . . A 340 GLN CG . 30850 1 592 . 1 . 1 51 51 GLN N N 15 118.976 0.000 . 1 . . . . A 340 GLN N . 30850 1 593 . 1 . 1 51 51 GLN NE2 N 15 112.180 0.016 . 1 . . . . A 340 GLN NE2 . 30850 1 594 . 1 . 1 52 52 TYR H H 1 9.091 0.000 . 1 . . . . A 341 TYR H . 30850 1 595 . 1 . 1 52 52 TYR HA H 1 4.151 0.002 . 1 . . . . A 341 TYR HA . 30850 1 596 . 1 . 1 52 52 TYR HB2 H 1 3.125 0.000 . 1 . . . . A 341 TYR HB2 . 30850 1 597 . 1 . 1 52 52 TYR HB3 H 1 3.200 0.002 . 1 . . . . A 341 TYR HB3 . 30850 1 598 . 1 . 1 52 52 TYR HD1 H 1 7.122 0.000 . 1 . . . . A 341 TYR HD1 . 30850 1 599 . 1 . 1 52 52 TYR HD2 H 1 7.122 0.000 . 1 . . . . A 341 TYR HD2 . 30850 1 600 . 1 . 1 52 52 TYR HE1 H 1 6.870 0.001 . 1 . . . . A 341 TYR HE1 . 30850 1 601 . 1 . 1 52 52 TYR HE2 H 1 6.870 0.001 . 1 . . . . A 341 TYR HE2 . 30850 1 602 . 1 . 1 52 52 TYR C C 13 176.208 0.000 . 1 . . . . A 341 TYR C . 30850 1 603 . 1 . 1 52 52 TYR CA C 13 62.953 0.000 . 1 . . . . A 341 TYR CA . 30850 1 604 . 1 . 1 52 52 TYR CB C 13 37.990 0.000 . 1 . . . . A 341 TYR CB . 30850 1 605 . 1 . 1 52 52 TYR CD1 C 13 133.456 0.000 . 1 . . . . A 341 TYR CD1 . 30850 1 606 . 1 . 1 52 52 TYR CD2 C 13 133.456 0.000 . 1 . . . . A 341 TYR CD2 . 30850 1 607 . 1 . 1 52 52 TYR CE1 C 13 118.747 0.000 . 1 . . . . A 341 TYR CE1 . 30850 1 608 . 1 . 1 52 52 TYR CE2 C 13 118.747 0.012 . 1 . . . . A 341 TYR CE2 . 30850 1 609 . 1 . 1 52 52 TYR N N 15 121.938 0.000 . 1 . . . . A 341 TYR N . 30850 1 610 . 1 . 1 53 53 LYS H H 1 7.569 0.000 . 1 . . . . A 342 LYS H . 30850 1 611 . 1 . 1 53 53 LYS HA H 1 4.115 0.002 . 1 . . . . A 342 LYS HA . 30850 1 612 . 1 . 1 53 53 LYS HB2 H 1 1.983 0.000 . 1 . . . . A 342 LYS HB2 . 30850 1 613 . 1 . 1 53 53 LYS HB3 H 1 1.924 0.000 . 1 . . . . A 342 LYS HB3 . 30850 1 614 . 1 . 1 53 53 LYS HG2 H 1 1.557 0.000 . 1 . . . . A 342 LYS HG2 . 30850 1 615 . 1 . 1 53 53 LYS HG3 H 1 1.485 0.000 . 1 . . . . A 342 LYS HG3 . 30850 1 616 . 1 . 1 53 53 LYS HD2 H 1 1.729 0.000 . 2 . . . . A 342 LYS HD2 . 30850 1 617 . 1 . 1 53 53 LYS HD3 H 1 1.729 0.000 . 2 . . . . A 342 LYS HD3 . 30850 1 618 . 1 . 1 53 53 LYS HE2 H 1 3.003 0.003 . 2 . . . . A 342 LYS HE2 . 30850 1 619 . 1 . 1 53 53 LYS HE3 H 1 3.003 0.003 . 2 . . . . A 342 LYS HE3 . 30850 1 620 . 1 . 1 53 53 LYS C C 13 178.601 0.000 . 1 . . . . A 342 LYS C . 30850 1 621 . 1 . 1 53 53 LYS CA C 13 58.924 0.000 . 1 . . . . A 342 LYS CA . 30850 1 622 . 1 . 1 53 53 LYS CB C 13 33.170 0.001 . 1 . . . . A 342 LYS CB . 30850 1 623 . 1 . 1 53 53 LYS CG C 13 24.767 0.000 . 1 . . . . A 342 LYS CG . 30850 1 624 . 1 . 1 53 53 LYS CD C 13 29.213 0.030 . 1 . . . . A 342 LYS CD . 30850 1 625 . 1 . 1 53 53 LYS CE C 13 42.267 0.011 . 1 . . . . A 342 LYS CE . 30850 1 626 . 1 . 1 53 53 LYS N N 15 116.047 0.000 . 1 . . . . A 342 LYS N . 30850 1 627 . 1 . 1 54 54 GLU H H 1 8.344 0.000 . 1 . . . . A 343 GLU H . 30850 1 628 . 1 . 1 54 54 GLU HA H 1 4.175 0.000 . 1 . . . . A 343 GLU HA . 30850 1 629 . 1 . 1 54 54 GLU HB2 H 1 1.985 0.000 . 2 . . . . A 343 GLU HB2 . 30850 1 630 . 1 . 1 54 54 GLU HB3 H 1 1.985 0.000 . 2 . . . . A 343 GLU HB3 . 30850 1 631 . 1 . 1 54 54 GLU HG2 H 1 2.388 0.000 . 1 . . . . A 343 GLU HG2 . 30850 1 632 . 1 . 1 54 54 GLU HG3 H 1 2.281 0.000 . 1 . . . . A 343 GLU HG3 . 30850 1 633 . 1 . 1 54 54 GLU C C 13 176.726 0.000 . 1 . . . . A 343 GLU C . 30850 1 634 . 1 . 1 54 54 GLU CA C 13 57.549 0.000 . 1 . . . . A 343 GLU CA . 30850 1 635 . 1 . 1 54 54 GLU CB C 13 30.492 0.000 . 1 . . . . A 343 GLU CB . 30850 1 636 . 1 . 1 54 54 GLU CG C 13 36.300 0.000 . 1 . . . . A 343 GLU CG . 30850 1 637 . 1 . 1 54 54 GLU CD C 13 180.544 0.000 . 1 . . . . A 343 GLU CD . 30850 1 638 . 1 . 1 54 54 GLU N N 15 112.912 0.000 . 1 . . . . A 343 GLU N . 30850 1 639 . 1 . 1 55 55 CYS H H 1 7.895 0.000 . 1 . . . . A 344 CYS H . 30850 1 640 . 1 . 1 55 55 CYS HA H 1 4.699 0.000 . 1 . . . . A 344 CYS HA . 30850 1 641 . 1 . 1 55 55 CYS HB2 H 1 3.013 0.000 . 1 . . . . A 344 CYS HB2 . 30850 1 642 . 1 . 1 55 55 CYS HB3 H 1 3.115 0.000 . 1 . . . . A 344 CYS HB3 . 30850 1 643 . 1 . 1 55 55 CYS C C 13 174.965 0.000 . 1 . . . . A 344 CYS C . 30850 1 644 . 1 . 1 55 55 CYS CA C 13 59.296 0.000 . 1 . . . . A 344 CYS CA . 30850 1 645 . 1 . 1 55 55 CYS CB C 13 42.250 0.000 . 1 . . . . A 344 CYS CB . 30850 1 646 . 1 . 1 55 55 CYS N N 15 115.840 0.000 . 1 . . . . A 344 CYS N . 30850 1 647 . 1 . 1 56 56 ALA H H 1 8.845 0.000 . 1 . . . . A 345 ALA H . 30850 1 648 . 1 . 1 56 56 ALA HA H 1 4.096 0.000 . 1 . . . . A 345 ALA HA . 30850 1 649 . 1 . 1 56 56 ALA HB1 H 1 1.311 0.000 . 1 . . . . A 345 ALA HB1 . 30850 1 650 . 1 . 1 56 56 ALA HB2 H 1 1.311 0.000 . 1 . . . . A 345 ALA HB2 . 30850 1 651 . 1 . 1 56 56 ALA HB3 H 1 1.311 0.000 . 1 . . . . A 345 ALA HB3 . 30850 1 652 . 1 . 1 56 56 ALA C C 13 177.200 0.000 . 1 . . . . A 345 ALA C . 30850 1 653 . 1 . 1 56 56 ALA CA C 13 56.169 0.002 . 1 . . . . A 345 ALA CA . 30850 1 654 . 1 . 1 56 56 ALA CB C 13 20.076 0.000 . 1 . . . . A 345 ALA CB . 30850 1 655 . 1 . 1 56 56 ALA N N 15 124.857 0.000 . 1 . . . . A 345 ALA N . 30850 1 656 . 1 . 1 57 57 ASP H H 1 9.171 0.000 . 1 . . . . A 346 ASP H . 30850 1 657 . 1 . 1 57 57 ASP HA H 1 4.613 0.000 . 1 . . . . A 346 ASP HA . 30850 1 658 . 1 . 1 57 57 ASP HB2 H 1 2.593 0.002 . 2 . . . . A 346 ASP HB2 . 30850 1 659 . 1 . 1 57 57 ASP HB3 H 1 2.593 0.002 . 2 . . . . A 346 ASP HB3 . 30850 1 660 . 1 . 1 57 57 ASP CA C 13 58.275 0.000 . 1 . . . . A 346 ASP CA . 30850 1 661 . 1 . 1 57 57 ASP CB C 13 37.753 0.001 . 1 . . . . A 346 ASP CB . 30850 1 662 . 1 . 1 57 57 ASP CG C 13 175.966 0.000 . 1 . . . . A 346 ASP CG . 30850 1 663 . 1 . 1 57 57 ASP N N 15 117.940 0.000 . 1 . . . . A 346 ASP N . 30850 1 664 . 1 . 1 58 58 PRO HA H 1 4.348 0.001 . 1 . . . . A 347 PRO HA . 30850 1 665 . 1 . 1 58 58 PRO HB2 H 1 2.280 0.000 . 2 . . . . A 347 PRO HB2 . 30850 1 666 . 1 . 1 58 58 PRO HB3 H 1 1.814 0.003 . 2 . . . . A 347 PRO HB3 . 30850 1 667 . 1 . 1 58 58 PRO HG2 H 1 1.897 0.000 . 2 . . . . A 347 PRO HG2 . 30850 1 668 . 1 . 1 58 58 PRO HG3 H 1 1.897 0.000 . 2 . . . . A 347 PRO HG3 . 30850 1 669 . 1 . 1 58 58 PRO HD2 H 1 3.329 0.000 . 1 . . . . A 347 PRO HD2 . 30850 1 670 . 1 . 1 58 58 PRO HD3 H 1 3.562 0.000 . 1 . . . . A 347 PRO HD3 . 30850 1 671 . 1 . 1 58 58 PRO C C 13 179.570 0.000 . 1 . . . . A 347 PRO C . 30850 1 672 . 1 . 1 58 58 PRO CA C 13 65.427 0.001 . 1 . . . . A 347 PRO CA . 30850 1 673 . 1 . 1 58 58 PRO CB C 13 30.530 0.002 . 1 . . . . A 347 PRO CB . 30850 1 674 . 1 . 1 58 58 PRO CG C 13 27.739 0.004 . 1 . . . . A 347 PRO CG . 30850 1 675 . 1 . 1 58 58 PRO CD C 13 50.098 0.008 . 1 . . . . A 347 PRO CD . 30850 1 676 . 1 . 1 59 59 ALA H H 1 7.797 0.000 . 1 . . . . A 348 ALA H . 30850 1 677 . 1 . 1 59 59 ALA HA H 1 4.374 0.000 . 1 . . . . A 348 ALA HA . 30850 1 678 . 1 . 1 59 59 ALA HB1 H 1 1.556 0.000 . 1 . . . . A 348 ALA HB1 . 30850 1 679 . 1 . 1 59 59 ALA HB2 H 1 1.556 0.000 . 1 . . . . A 348 ALA HB2 . 30850 1 680 . 1 . 1 59 59 ALA HB3 H 1 1.556 0.000 . 1 . . . . A 348 ALA HB3 . 30850 1 681 . 1 . 1 59 59 ALA C C 13 179.506 0.000 . 1 . . . . A 348 ALA C . 30850 1 682 . 1 . 1 59 59 ALA CA C 13 55.223 0.000 . 1 . . . . A 348 ALA CA . 30850 1 683 . 1 . 1 59 59 ALA CB C 13 18.184 0.000 . 1 . . . . A 348 ALA CB . 30850 1 684 . 1 . 1 59 59 ALA N N 15 120.875 0.001 . 1 . . . . A 348 ALA N . 30850 1 685 . 1 . 1 60 60 LEU H H 1 8.499 0.000 . 1 . . . . A 349 LEU H . 30850 1 686 . 1 . 1 60 60 LEU HA H 1 4.131 0.000 . 1 . . . . A 349 LEU HA . 30850 1 687 . 1 . 1 60 60 LEU HB2 H 1 1.944 0.000 . 2 . . . . A 349 LEU HB2 . 30850 1 688 . 1 . 1 60 60 LEU HB3 H 1 1.716 0.001 . 2 . . . . A 349 LEU HB3 . 30850 1 689 . 1 . 1 60 60 LEU HG H 1 1.946 0.000 . 1 . . . . A 349 LEU HG . 30850 1 690 . 1 . 1 60 60 LEU HD11 H 1 0.953 0.000 . 2 . . . . A 349 LEU HD11 . 30850 1 691 . 1 . 1 60 60 LEU HD12 H 1 0.953 0.000 . 2 . . . . A 349 LEU HD12 . 30850 1 692 . 1 . 1 60 60 LEU HD13 H 1 0.953 0.000 . 2 . . . . A 349 LEU HD13 . 30850 1 693 . 1 . 1 60 60 LEU HD21 H 1 1.014 0.000 . 2 . . . . A 349 LEU HD21 . 30850 1 694 . 1 . 1 60 60 LEU HD22 H 1 1.014 0.000 . 2 . . . . A 349 LEU HD22 . 30850 1 695 . 1 . 1 60 60 LEU HD23 H 1 1.014 0.000 . 2 . . . . A 349 LEU HD23 . 30850 1 696 . 1 . 1 60 60 LEU C C 13 179.473 0.000 . 1 . . . . A 349 LEU C . 30850 1 697 . 1 . 1 60 60 LEU CA C 13 57.792 0.006 . 1 . . . . A 349 LEU CA . 30850 1 698 . 1 . 1 60 60 LEU CB C 13 40.912 0.011 . 1 . . . . A 349 LEU CB . 30850 1 699 . 1 . 1 60 60 LEU CG C 13 27.309 0.000 . 1 . . . . A 349 LEU CG . 30850 1 700 . 1 . 1 60 60 LEU CD1 C 13 23.229 0.000 . 1 . . . . A 349 LEU CD1 . 30850 1 701 . 1 . 1 60 60 LEU CD2 C 13 25.104 0.000 . 1 . . . . A 349 LEU CD2 . 30850 1 702 . 1 . 1 60 60 LEU N N 15 119.136 0.000 . 1 . . . . A 349 LEU N . 30850 1 703 . 1 . 1 61 61 ASP H H 1 7.929 0.000 . 1 . . . . A 350 ASP H . 30850 1 704 . 1 . 1 61 61 ASP HA H 1 4.397 0.000 . 1 . . . . A 350 ASP HA . 30850 1 705 . 1 . 1 61 61 ASP HB2 H 1 2.742 0.000 . 2 . . . . A 350 ASP HB2 . 30850 1 706 . 1 . 1 61 61 ASP HB3 H 1 2.631 0.001 . 2 . . . . A 350 ASP HB3 . 30850 1 707 . 1 . 1 61 61 ASP C C 13 178.279 0.000 . 1 . . . . A 350 ASP C . 30850 1 708 . 1 . 1 61 61 ASP CA C 13 57.085 0.000 . 1 . . . . A 350 ASP CA . 30850 1 709 . 1 . 1 61 61 ASP CB C 13 40.664 0.000 . 1 . . . . A 350 ASP CB . 30850 1 710 . 1 . 1 61 61 ASP N N 15 119.200 0.000 . 1 . . . . A 350 ASP N . 30850 1 711 . 1 . 1 62 62 PHE H H 1 7.909 0.000 . 1 . . . . A 351 PHE H . 30850 1 712 . 1 . 1 62 62 PHE HA H 1 4.248 0.001 . 1 . . . . A 351 PHE HA . 30850 1 713 . 1 . 1 62 62 PHE HB2 H 1 3.228 0.000 . 1 . . . . A 351 PHE HB2 . 30850 1 714 . 1 . 1 62 62 PHE HB3 H 1 3.308 0.000 . 1 . . . . A 351 PHE HB3 . 30850 1 715 . 1 . 1 62 62 PHE HD1 H 1 7.120 0.002 . 1 . . . . A 351 PHE HD1 . 30850 1 716 . 1 . 1 62 62 PHE HD2 H 1 7.120 0.002 . 1 . . . . A 351 PHE HD2 . 30850 1 717 . 1 . 1 62 62 PHE HE1 H 1 7.143 0.000 . 1 . . . . A 351 PHE HE1 . 30850 1 718 . 1 . 1 62 62 PHE HE2 H 1 7.143 0.000 . 1 . . . . A 351 PHE HE2 . 30850 1 719 . 1 . 1 62 62 PHE C C 13 177.238 0.000 . 1 . . . . A 351 PHE C . 30850 1 720 . 1 . 1 62 62 PHE CA C 13 60.735 0.003 . 1 . . . . A 351 PHE CA . 30850 1 721 . 1 . 1 62 62 PHE CB C 13 39.032 0.000 . 1 . . . . A 351 PHE CB . 30850 1 722 . 1 . 1 62 62 PHE CD1 C 13 131.850 0.000 . 1 . . . . A 351 PHE CD1 . 30850 1 723 . 1 . 1 62 62 PHE CD2 C 13 131.850 0.000 . 1 . . . . A 351 PHE CD2 . 30850 1 724 . 1 . 1 62 62 PHE CE1 C 13 133.337 0.000 . 1 . . . . A 351 PHE CE1 . 30850 1 725 . 1 . 1 62 62 PHE CE2 C 13 133.337 0.000 . 1 . . . . A 351 PHE CE2 . 30850 1 726 . 1 . 1 62 62 PHE N N 15 120.656 0.000 . 1 . . . . A 351 PHE N . 30850 1 727 . 1 . 1 63 63 LEU H H 1 7.965 0.000 . 1 . . . . A 352 LEU H . 30850 1 728 . 1 . 1 63 63 LEU HA H 1 3.603 0.002 . 1 . . . . A 352 LEU HA . 30850 1 729 . 1 . 1 63 63 LEU HB2 H 1 1.510 0.000 . 2 . . . . A 352 LEU HB2 . 30850 1 730 . 1 . 1 63 63 LEU HB3 H 1 1.510 0.000 . 2 . . . . A 352 LEU HB3 . 30850 1 731 . 1 . 1 63 63 LEU HG H 1 1.427 0.000 . 1 . . . . A 352 LEU HG . 30850 1 732 . 1 . 1 63 63 LEU HD11 H 1 0.527 0.000 . 1 . . . . A 352 LEU HD11 . 30850 1 733 . 1 . 1 63 63 LEU HD12 H 1 0.527 0.000 . 1 . . . . A 352 LEU HD12 . 30850 1 734 . 1 . 1 63 63 LEU HD13 H 1 0.527 0.000 . 1 . . . . A 352 LEU HD13 . 30850 1 735 . 1 . 1 63 63 LEU HD21 H 1 0.409 0.000 . 1 . . . . A 352 LEU HD21 . 30850 1 736 . 1 . 1 63 63 LEU HD22 H 1 0.409 0.000 . 1 . . . . A 352 LEU HD22 . 30850 1 737 . 1 . 1 63 63 LEU HD23 H 1 0.409 0.000 . 1 . . . . A 352 LEU HD23 . 30850 1 738 . 1 . 1 63 63 LEU C C 13 178.458 0.000 . 1 . . . . A 352 LEU C . 30850 1 739 . 1 . 1 63 63 LEU CA C 13 57.224 0.000 . 1 . . . . A 352 LEU CA . 30850 1 740 . 1 . 1 63 63 LEU CB C 13 42.102 0.003 . 1 . . . . A 352 LEU CB . 30850 1 741 . 1 . 1 63 63 LEU CG C 13 26.658 0.000 . 1 . . . . A 352 LEU CG . 30850 1 742 . 1 . 1 63 63 LEU CD1 C 13 24.756 0.000 . 1 . . . . A 352 LEU CD1 . 30850 1 743 . 1 . 1 63 63 LEU CD2 C 13 23.778 0.000 . 1 . . . . A 352 LEU CD2 . 30850 1 744 . 1 . 1 63 63 LEU N N 15 119.048 0.000 . 1 . . . . A 352 LEU N . 30850 1 745 . 1 . 1 64 64 VAL H H 1 7.597 0.000 . 1 . . . . A 353 VAL H . 30850 1 746 . 1 . 1 64 64 VAL HA H 1 3.865 0.000 . 1 . . . . A 353 VAL HA . 30850 1 747 . 1 . 1 64 64 VAL HB H 1 2.176 0.000 . 1 . . . . A 353 VAL HB . 30850 1 748 . 1 . 1 64 64 VAL HG11 H 1 1.027 0.000 . 1 . . . . A 353 VAL HG11 . 30850 1 749 . 1 . 1 64 64 VAL HG12 H 1 1.027 0.000 . 1 . . . . A 353 VAL HG12 . 30850 1 750 . 1 . 1 64 64 VAL HG13 H 1 1.027 0.000 . 1 . . . . A 353 VAL HG13 . 30850 1 751 . 1 . 1 64 64 VAL HG21 H 1 0.913 0.000 . 1 . . . . A 353 VAL HG21 . 30850 1 752 . 1 . 1 64 64 VAL HG22 H 1 0.913 0.000 . 1 . . . . A 353 VAL HG22 . 30850 1 753 . 1 . 1 64 64 VAL HG23 H 1 0.913 0.000 . 1 . . . . A 353 VAL HG23 . 30850 1 754 . 1 . 1 64 64 VAL C C 13 177.566 0.000 . 1 . . . . A 353 VAL C . 30850 1 755 . 1 . 1 64 64 VAL CA C 13 64.190 0.000 . 1 . . . . A 353 VAL CA . 30850 1 756 . 1 . 1 64 64 VAL CB C 13 32.073 0.001 . 1 . . . . A 353 VAL CB . 30850 1 757 . 1 . 1 64 64 VAL CG1 C 13 21.581 0.000 . 1 . . . . A 353 VAL CG1 . 30850 1 758 . 1 . 1 64 64 VAL CG2 C 13 21.218 0.000 . 1 . . . . A 353 VAL CG2 . 30850 1 759 . 1 . 1 64 64 VAL N N 15 114.909 0.000 . 1 . . . . A 353 VAL N . 30850 1 760 . 1 . 1 65 65 GLU H H 1 7.755 0.000 . 1 . . . . A 354 GLU H . 30850 1 761 . 1 . 1 65 65 GLU HA H 1 4.118 0.000 . 1 . . . . A 354 GLU HA . 30850 1 762 . 1 . 1 65 65 GLU HB2 H 1 1.990 0.000 . 2 . . . . A 354 GLU HB2 . 30850 1 763 . 1 . 1 65 65 GLU HB3 H 1 1.990 0.000 . 2 . . . . A 354 GLU HB3 . 30850 1 764 . 1 . 1 65 65 GLU HG2 H 1 2.212 0.000 . 2 . . . . A 354 GLU HG2 . 30850 1 765 . 1 . 1 65 65 GLU HG3 H 1 2.379 0.000 . 2 . . . . A 354 GLU HG3 . 30850 1 766 . 1 . 1 65 65 GLU C C 13 177.663 0.000 . 1 . . . . A 354 GLU C . 30850 1 767 . 1 . 1 65 65 GLU CA C 13 57.797 0.000 . 1 . . . . A 354 GLU CA . 30850 1 768 . 1 . 1 65 65 GLU CB C 13 30.190 0.000 . 1 . . . . A 354 GLU CB . 30850 1 769 . 1 . 1 65 65 GLU CG C 13 36.223 0.002 . 1 . . . . A 354 GLU CG . 30850 1 770 . 1 . 1 65 65 GLU N N 15 119.952 0.000 . 1 . . . . A 354 GLU N . 30850 1 771 . 1 . 1 66 66 LYS H H 1 8.036 0.000 . 1 . . . . A 355 LYS H . 30850 1 772 . 1 . 1 66 66 LYS HA H 1 4.270 0.000 . 1 . . . . A 355 LYS HA . 30850 1 773 . 1 . 1 66 66 LYS HB2 H 1 1.592 0.000 . 2 . . . . A 355 LYS HB2 . 30850 1 774 . 1 . 1 66 66 LYS HB3 H 1 1.350 0.000 . 2 . . . . A 355 LYS HB3 . 30850 1 775 . 1 . 1 66 66 LYS HG2 H 1 1.168 0.000 . 2 . . . . A 355 LYS HG2 . 30850 1 776 . 1 . 1 66 66 LYS HG3 H 1 1.168 0.000 . 2 . . . . A 355 LYS HG3 . 30850 1 777 . 1 . 1 66 66 LYS HD2 H 1 1.523 0.000 . 2 . . . . A 355 LYS HD2 . 30850 1 778 . 1 . 1 66 66 LYS HD3 H 1 1.490 0.000 . 2 . . . . A 355 LYS HD3 . 30850 1 779 . 1 . 1 66 66 LYS HE2 H 1 2.845 0.000 . 2 . . . . A 355 LYS HE2 . 30850 1 780 . 1 . 1 66 66 LYS HE3 H 1 2.900 0.000 . 2 . . . . A 355 LYS HE3 . 30850 1 781 . 1 . 1 66 66 LYS C C 13 176.782 0.000 . 1 . . . . A 355 LYS C . 30850 1 782 . 1 . 1 66 66 LYS CA C 13 56.142 0.008 . 1 . . . . A 355 LYS CA . 30850 1 783 . 1 . 1 66 66 LYS CB C 13 33.235 0.000 . 1 . . . . A 355 LYS CB . 30850 1 784 . 1 . 1 66 66 LYS CG C 13 24.439 0.002 . 1 . . . . A 355 LYS CG . 30850 1 785 . 1 . 1 66 66 LYS CD C 13 28.777 0.001 . 1 . . . . A 355 LYS CD . 30850 1 786 . 1 . 1 66 66 LYS CE C 13 42.268 0.000 . 1 . . . . A 355 LYS CE . 30850 1 787 . 1 . 1 66 66 LYS N N 15 118.988 0.000 . 1 . . . . A 355 LYS N . 30850 1 788 . 1 . 1 67 67 ASP H H 1 8.010 0.000 . 1 . . . . A 356 ASP H . 30850 1 789 . 1 . 1 67 67 ASP HA H 1 4.543 0.000 . 1 . . . . A 356 ASP HA . 30850 1 790 . 1 . 1 67 67 ASP HB2 H 1 2.813 0.000 . 2 . . . . A 356 ASP HB2 . 30850 1 791 . 1 . 1 67 67 ASP HB3 H 1 2.542 0.000 . 2 . . . . A 356 ASP HB3 . 30850 1 792 . 1 . 1 67 67 ASP C C 13 176.033 0.000 . 1 . . . . A 356 ASP C . 30850 1 793 . 1 . 1 67 67 ASP CA C 13 54.906 0.015 . 1 . . . . A 356 ASP CA . 30850 1 794 . 1 . 1 67 67 ASP CB C 13 40.869 0.000 . 1 . . . . A 356 ASP CB . 30850 1 795 . 1 . 1 67 67 ASP CG C 13 177.292 0.000 . 1 . . . . A 356 ASP CG . 30850 1 796 . 1 . 1 67 67 ASP N N 15 120.707 0.000 . 1 . . . . A 356 ASP N . 30850 1 797 . 1 . 1 68 68 ASN H H 1 8.116 0.000 . 1 . . . . A 357 ASN H . 30850 1 798 . 1 . 1 68 68 ASN HA H 1 4.561 0.000 . 1 . . . . A 357 ASN HA . 30850 1 799 . 1 . 1 68 68 ASN HB2 H 1 2.719 0.000 . 2 . . . . A 357 ASN HB2 . 30850 1 800 . 1 . 1 68 68 ASN HB3 H 1 2.719 0.000 . 2 . . . . A 357 ASN HB3 . 30850 1 801 . 1 . 1 68 68 ASN HD21 H 1 7.388 0.000 . 2 . . . . A 357 ASN HD21 . 30850 1 802 . 1 . 1 68 68 ASN HD22 H 1 6.480 0.000 . 2 . . . . A 357 ASN HD22 . 30850 1 803 . 1 . 1 68 68 ASN C C 13 175.759 0.000 . 1 . . . . A 357 ASN C . 30850 1 804 . 1 . 1 68 68 ASN CA C 13 54.473 0.000 . 1 . . . . A 357 ASN CA . 30850 1 805 . 1 . 1 68 68 ASN CB C 13 38.963 0.000 . 1 . . . . A 357 ASN CB . 30850 1 806 . 1 . 1 68 68 ASN N N 15 117.704 0.000 . 1 . . . . A 357 ASN N . 30850 1 807 . 1 . 1 68 68 ASN ND2 N 15 113.196 0.007 . 1 . . . . A 357 ASN ND2 . 30850 1 808 . 1 . 1 69 69 GLU H H 1 8.414 0.000 . 1 . . . . A 358 GLU H . 30850 1 809 . 1 . 1 69 69 GLU HA H 1 4.250 0.000 . 1 . . . . A 358 GLU HA . 30850 1 810 . 1 . 1 69 69 GLU HB2 H 1 2.047 0.000 . 2 . . . . A 358 GLU HB2 . 30850 1 811 . 1 . 1 69 69 GLU HB3 H 1 1.902 0.000 . 2 . . . . A 358 GLU HB3 . 30850 1 812 . 1 . 1 69 69 GLU HG2 H 1 2.201 0.000 . 2 . . . . A 358 GLU HG2 . 30850 1 813 . 1 . 1 69 69 GLU HG3 H 1 2.132 0.000 . 2 . . . . A 358 GLU HG3 . 30850 1 814 . 1 . 1 69 69 GLU C C 13 176.227 0.000 . 1 . . . . A 358 GLU C . 30850 1 815 . 1 . 1 69 69 GLU CA C 13 57.149 0.016 . 1 . . . . A 358 GLU CA . 30850 1 816 . 1 . 1 69 69 GLU CB C 13 30.258 0.000 . 1 . . . . A 358 GLU CB . 30850 1 817 . 1 . 1 69 69 GLU CG C 13 36.436 0.000 . 1 . . . . A 358 GLU CG . 30850 1 818 . 1 . 1 69 69 GLU CD C 13 181.247 0.000 . 1 . . . . A 358 GLU CD . 30850 1 819 . 1 . 1 69 69 GLU N N 15 119.570 0.000 . 1 . . . . A 358 GLU N . 30850 1 820 . 1 . 1 70 70 TYR H H 1 8.264 0.000 . 1 . . . . A 359 TYR H . 30850 1 821 . 1 . 1 70 70 TYR HA H 1 4.186 0.000 . 1 . . . . A 359 TYR HA . 30850 1 822 . 1 . 1 70 70 TYR HB2 H 1 2.983 0.001 . 2 . . . . A 359 TYR HB2 . 30850 1 823 . 1 . 1 70 70 TYR HB3 H 1 2.847 0.000 . 2 . . . . A 359 TYR HB3 . 30850 1 824 . 1 . 1 70 70 TYR HD1 H 1 7.141 0.005 . 1 . . . . A 359 TYR HD1 . 30850 1 825 . 1 . 1 70 70 TYR HD2 H 1 7.141 0.005 . 1 . . . . A 359 TYR HD2 . 30850 1 826 . 1 . 1 70 70 TYR HE1 H 1 6.956 0.000 . 1 . . . . A 359 TYR HE1 . 30850 1 827 . 1 . 1 70 70 TYR HE2 H 1 6.956 0.000 . 1 . . . . A 359 TYR HE2 . 30850 1 828 . 1 . 1 70 70 TYR C C 13 176.520 0.000 . 1 . . . . A 359 TYR C . 30850 1 829 . 1 . 1 70 70 TYR CA C 13 61.050 0.000 . 1 . . . . A 359 TYR CA . 30850 1 830 . 1 . 1 70 70 TYR CB C 13 39.395 0.001 . 1 . . . . A 359 TYR CB . 30850 1 831 . 1 . 1 70 70 TYR CD1 C 13 133.013 0.000 . 1 . . . . A 359 TYR CD1 . 30850 1 832 . 1 . 1 70 70 TYR CD2 C 13 133.013 0.000 . 1 . . . . A 359 TYR CD2 . 30850 1 833 . 1 . 1 70 70 TYR CE1 C 13 118.510 0.000 . 1 . . . . A 359 TYR CE1 . 30850 1 834 . 1 . 1 70 70 TYR CE2 C 13 118.510 0.000 . 1 . . . . A 359 TYR CE2 . 30850 1 835 . 1 . 1 70 70 TYR N N 15 120.714 0.000 . 1 . . . . A 359 TYR N . 30850 1 836 . 1 . 1 71 71 CYS H H 1 8.314 0.000 . 1 . . . . A 360 CYS H . 30850 1 837 . 1 . 1 71 71 CYS HA H 1 4.783 0.000 . 1 . . . . A 360 CYS HA . 30850 1 838 . 1 . 1 71 71 CYS HB2 H 1 3.123 0.000 . 2 . . . . A 360 CYS HB2 . 30850 1 839 . 1 . 1 71 71 CYS HB3 H 1 2.958 0.000 . 2 . . . . A 360 CYS HB3 . 30850 1 840 . 1 . 1 71 71 CYS C C 13 173.829 0.000 . 1 . . . . A 360 CYS C . 30850 1 841 . 1 . 1 71 71 CYS CA C 13 54.148 0.000 . 1 . . . . A 360 CYS CA . 30850 1 842 . 1 . 1 71 71 CYS CB C 13 40.122 0.000 . 1 . . . . A 360 CYS CB . 30850 1 843 . 1 . 1 71 71 CYS N N 15 115.970 0.000 . 1 . . . . A 360 CYS N . 30850 1 844 . 1 . 1 72 72 VAL H H 1 8.365 0.000 . 1 . . . . A 361 VAL H . 30850 1 845 . 1 . 1 72 72 VAL HA H 1 4.014 0.000 . 1 . . . . A 361 VAL HA . 30850 1 846 . 1 . 1 72 72 VAL HB H 1 2.058 0.000 . 1 . . . . A 361 VAL HB . 30850 1 847 . 1 . 1 72 72 VAL HG11 H 1 0.875 0.000 . 2 . . . . A 361 VAL HG11 . 30850 1 848 . 1 . 1 72 72 VAL HG12 H 1 0.875 0.000 . 2 . . . . A 361 VAL HG12 . 30850 1 849 . 1 . 1 72 72 VAL HG13 H 1 0.875 0.000 . 2 . . . . A 361 VAL HG13 . 30850 1 850 . 1 . 1 72 72 VAL HG21 H 1 0.823 0.000 . 2 . . . . A 361 VAL HG21 . 30850 1 851 . 1 . 1 72 72 VAL HG22 H 1 0.823 0.000 . 2 . . . . A 361 VAL HG22 . 30850 1 852 . 1 . 1 72 72 VAL HG23 H 1 0.823 0.000 . 2 . . . . A 361 VAL HG23 . 30850 1 853 . 1 . 1 72 72 VAL C C 13 175.843 0.000 . 1 . . . . A 361 VAL C . 30850 1 854 . 1 . 1 72 72 VAL CA C 13 62.469 0.000 . 1 . . . . A 361 VAL CA . 30850 1 855 . 1 . 1 72 72 VAL CB C 13 31.385 0.000 . 1 . . . . A 361 VAL CB . 30850 1 856 . 1 . 1 72 72 VAL CG1 C 13 21.576 0.000 . 1 . . . . A 361 VAL CG1 . 30850 1 857 . 1 . 1 72 72 VAL CG2 C 13 20.563 0.000 . 1 . . . . A 361 VAL CG2 . 30850 1 858 . 1 . 1 72 72 VAL N N 15 124.687 0.000 . 1 . . . . A 361 VAL N . 30850 1 859 . 1 . 1 73 73 CYS H H 1 8.414 0.000 . 1 . . . . A 362 CYS H . 30850 1 860 . 1 . 1 73 73 CYS HA H 1 4.931 0.000 . 1 . . . . A 362 CYS HA . 30850 1 861 . 1 . 1 73 73 CYS HB2 H 1 2.813 0.000 . 2 . . . . A 362 CYS HB2 . 30850 1 862 . 1 . 1 73 73 CYS HB3 H 1 3.190 0.000 . 2 . . . . A 362 CYS HB3 . 30850 1 863 . 1 . 1 73 73 CYS C C 13 174.016 0.000 . 1 . . . . A 362 CYS C . 30850 1 864 . 1 . 1 73 73 CYS CA C 13 53.753 0.000 . 1 . . . . A 362 CYS CA . 30850 1 865 . 1 . 1 73 73 CYS CB C 13 41.707 0.000 . 1 . . . . A 362 CYS CB . 30850 1 866 . 1 . 1 73 73 CYS N N 15 123.643 0.000 . 1 . . . . A 362 CYS N . 30850 1 867 . 1 . 1 74 74 GLU H H 1 8.442 0.000 . 1 . . . . A 363 GLU H . 30850 1 868 . 1 . 1 74 74 GLU HA H 1 4.333 0.000 . 1 . . . . A 363 GLU HA . 30850 1 869 . 1 . 1 74 74 GLU HB2 H 1 1.971 0.000 . 2 . . . . A 363 GLU HB2 . 30850 1 870 . 1 . 1 74 74 GLU HB3 H 1 1.818 0.000 . 2 . . . . A 363 GLU HB3 . 30850 1 871 . 1 . 1 74 74 GLU HG2 H 1 2.186 0.001 . 2 . . . . A 363 GLU HG2 . 30850 1 872 . 1 . 1 74 74 GLU HG3 H 1 2.186 0.001 . 2 . . . . A 363 GLU HG3 . 30850 1 873 . 1 . 1 74 74 GLU C C 13 175.672 0.000 . 1 . . . . A 363 GLU C . 30850 1 874 . 1 . 1 74 74 GLU CA C 13 56.137 0.000 . 1 . . . . A 363 GLU CA . 30850 1 875 . 1 . 1 74 74 GLU CB C 13 30.971 0.000 . 1 . . . . A 363 GLU CB . 30850 1 876 . 1 . 1 74 74 GLU CG C 13 36.209 0.001 . 1 . . . . A 363 GLU CG . 30850 1 877 . 1 . 1 74 74 GLU CD C 13 180.875 0.000 . 1 . . . . A 363 GLU CD . 30850 1 878 . 1 . 1 74 74 GLU N N 15 122.025 0.000 . 1 . . . . A 363 GLU N . 30850 1 879 . 1 . 1 75 75 MET H H 1 8.477 0.000 . 1 . . . . A 364 MET H . 30850 1 880 . 1 . 1 75 75 MET HA H 1 4.676 0.004 . 1 . . . . A 364 MET HA . 30850 1 881 . 1 . 1 75 75 MET HB2 H 1 2.024 0.001 . 2 . . . . A 364 MET HB2 . 30850 1 882 . 1 . 1 75 75 MET HB3 H 1 1.912 0.001 . 2 . . . . A 364 MET HB3 . 30850 1 883 . 1 . 1 75 75 MET HG2 H 1 2.586 0.000 . 2 . . . . A 364 MET HG2 . 30850 1 884 . 1 . 1 75 75 MET HG3 H 1 2.512 0.000 . 2 . . . . A 364 MET HG3 . 30850 1 885 . 1 . 1 75 75 MET HE1 H 1 2.068 0.000 . 1 . . . . A 364 MET HE1 . 30850 1 886 . 1 . 1 75 75 MET HE2 H 1 2.068 0.000 . 1 . . . . A 364 MET HE2 . 30850 1 887 . 1 . 1 75 75 MET HE3 H 1 2.068 0.000 . 1 . . . . A 364 MET HE3 . 30850 1 888 . 1 . 1 75 75 MET C C 13 174.110 0.000 . 1 . . . . A 364 MET C . 30850 1 889 . 1 . 1 75 75 MET CA C 13 53.264 0.015 . 1 . . . . A 364 MET CA . 30850 1 890 . 1 . 1 75 75 MET CB C 13 32.641 0.000 . 1 . . . . A 364 MET CB . 30850 1 891 . 1 . 1 75 75 MET CG C 13 32.266 0.000 . 1 . . . . A 364 MET CG . 30850 1 892 . 1 . 1 75 75 MET CE C 13 17.235 0.000 . 1 . . . . A 364 MET CE . 30850 1 893 . 1 . 1 75 75 MET N N 15 122.467 0.000 . 1 . . . . A 364 MET N . 30850 1 894 . 1 . 1 76 76 PRO HA H 1 4.540 0.000 . 1 . . . . A 365 PRO HA . 30850 1 895 . 1 . 1 76 76 PRO HB2 H 1 2.229 0.000 . 2 . . . . A 365 PRO HB2 . 30850 1 896 . 1 . 1 76 76 PRO HB3 H 1 1.923 0.000 . 2 . . . . A 365 PRO HB3 . 30850 1 897 . 1 . 1 76 76 PRO HG2 H 1 2.006 0.000 . 1 . . . . A 365 PRO HG2 . 30850 1 898 . 1 . 1 76 76 PRO HG3 H 1 1.928 0.000 . 1 . . . . A 365 PRO HG3 . 30850 1 899 . 1 . 1 76 76 PRO HD2 H 1 3.713 0.000 . 2 . . . . A 365 PRO HD2 . 30850 1 900 . 1 . 1 76 76 PRO HD3 H 1 3.622 0.000 . 2 . . . . A 365 PRO HD3 . 30850 1 901 . 1 . 1 76 76 PRO C C 13 176.811 0.000 . 1 . . . . A 365 PRO C . 30850 1 902 . 1 . 1 76 76 PRO CA C 13 62.964 0.000 . 1 . . . . A 365 PRO CA . 30850 1 903 . 1 . 1 76 76 PRO CB C 13 32.119 0.002 . 1 . . . . A 365 PRO CB . 30850 1 904 . 1 . 1 76 76 PRO CG C 13 27.305 0.003 . 1 . . . . A 365 PRO CG . 30850 1 905 . 1 . 1 76 76 PRO CD C 13 50.628 0.000 . 1 . . . . A 365 PRO CD . 30850 1 906 . 1 . 1 77 77 CYS H H 1 8.473 0.000 . 1 . . . . A 366 CYS H . 30850 1 907 . 1 . 1 77 77 CYS HA H 1 4.629 0.000 . 1 . . . . A 366 CYS HA . 30850 1 908 . 1 . 1 77 77 CYS HB2 H 1 3.233 0.000 . 2 . . . . A 366 CYS HB2 . 30850 1 909 . 1 . 1 77 77 CYS HB3 H 1 2.937 0.000 . 2 . . . . A 366 CYS HB3 . 30850 1 910 . 1 . 1 77 77 CYS C C 13 173.596 0.000 . 1 . . . . A 366 CYS C . 30850 1 911 . 1 . 1 77 77 CYS CA C 13 55.293 0.000 . 1 . . . . A 366 CYS CA . 30850 1 912 . 1 . 1 77 77 CYS CB C 13 41.678 0.000 . 1 . . . . A 366 CYS CB . 30850 1 913 . 1 . 1 77 77 CYS N N 15 119.615 0.000 . 1 . . . . A 366 CYS N . 30850 1 914 . 1 . 1 78 78 ASN H H 1 8.092 0.000 . 1 . . . . A 367 ASN H . 30850 1 915 . 1 . 1 78 78 ASN HA H 1 4.453 0.000 . 1 . . . . A 367 ASN HA . 30850 1 916 . 1 . 1 78 78 ASN HB2 H 1 2.735 0.000 . 2 . . . . A 367 ASN HB2 . 30850 1 917 . 1 . 1 78 78 ASN HB3 H 1 2.645 0.000 . 2 . . . . A 367 ASN HB3 . 30850 1 918 . 1 . 1 78 78 ASN HD21 H 1 7.473 0.000 . 2 . . . . A 367 ASN HD21 . 30850 1 919 . 1 . 1 78 78 ASN HD22 H 1 6.782 0.000 . 2 . . . . A 367 ASN HD22 . 30850 1 920 . 1 . 1 78 78 ASN C C 13 179.244 0.000 . 1 . . . . A 367 ASN C . 30850 1 921 . 1 . 1 78 78 ASN CA C 13 54.840 0.000 . 1 . . . . A 367 ASN CA . 30850 1 922 . 1 . 1 78 78 ASN CB C 13 40.868 0.001 . 1 . . . . A 367 ASN CB . 30850 1 923 . 1 . 1 78 78 ASN N N 15 125.577 0.000 . 1 . . . . A 367 ASN N . 30850 1 924 . 1 . 1 78 78 ASN ND2 N 15 112.702 0.001 . 1 . . . . A 367 ASN ND2 . 30850 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 30850 _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 aliphatic' _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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #INAME 1 h #INAME 2 H #INAME 3 C #CYANAFORMAT hHC 2 4.057 64.318 1.293 1 T 1.018e+07 0.00e+00 a 0 0 0 0 0 4 4.175 57.549 8.344 1 T 2.019e+07 0.00e+00 a 0 0 0 0 0 6 2.900 42.268 1.168 1 T 6.544e+06 0.00e+00 a 0 0 0 0 0 9 1.946 26.364 2.090 1 T 3.627e+07 0.00e+00 a 0 0 0 0 0 11 4.395 59.528 3.012 1 T 3.810e+07 0.00e+00 a 0 0 0 0 0 12 4.641 54.426 2.628 1 T 1.598e+07 0.00e+00 a 0 0 0 0 0 14 3.984 45.418 8.396 1 T 4.556e+06 0.00e+00 a 0 0 0 0 0 16 4.186 61.049 8.264 1 T 1.308e+07 0.00e+00 a 0 0 0 0 0 19 4.901 68.320 1.462 1 T 1.073e+07 0.00e+00 a 0 0 0 0 0 20 3.203 42.932 1.778 1 T 1.786e+07 0.00e+00 a 0 0 0 0 0 24 4.540 62.964 1.928 1 T 1.978e+07 0.00e+00 a 0 0 0 0 0 30 4.931 53.753 3.189 1 T 1.251e+07 0.00e+00 a 0 0 0 0 0 33 2.379 36.222 1.991 1 T 3.169e+07 0.00e+00 a 0 0 0 0 0 44 2.175 19.264 1.975 1 T 1.785e+07 0.00e+00 a 0 0 0 0 0 49 1.716 40.917 1.014 1 T 1.014e+07 0.00e+00 a 0 0 0 0 0 52 3.912 59.813 2.299 1 T 1.445e+07 0.00e+00 a 0 0 0 0 0 55 3.013 42.250 7.895 1 T 4.176e+06 0.00e+00 a 0 0 0 0 0 57 2.176 32.074 0.914 1 T 3.326e+07 0.00e+00 a 0 0 0 0 0 58 2.131 40.946 8.570 1 T 3.657e+06 0.00e+00 a 0 0 0 0 0 60 1.963 31.644 8.163 1 T 1.301e+07 0.00e+00 a 0 0 0 0 0 61 2.000 30.727 2.499 1 T 1.731e+07 0.00e+00 a 0 0 0 0 0 63 2.187 36.209 4.334 1 T 1.027e+07 0.00e+00 a 0 0 0 0 0 66 1.918 37.982 0.934 1 T 3.940e+07 0.00e+00 a 0 0 0 0 0 71 2.284 32.032 4.240 1 T 1.401e+07 0.00e+00 a 0 0 0 0 0 72 4.666 54.209 7.345 1 T 2.048e+06 0.00e+00 a 0 0 0 0 0 75 2.892 38.997 4.483 1 T 1.056e+07 0.00e+00 a 0 0 0 0 0 76 2.058 31.385 0.824 1 T 7.274e+07 0.00e+00 a 0 0 0 0 0 80 1.369 19.425 4.407 1 T 1.865e+07 0.00e+00 a 0 0 0 0 0 83 2.050 28.911 4.097 1 T 1.025e+07 0.00e+00 a 0 0 0 0 0 85 2.719 38.963 8.116 1 T 1.350e+07 0.00e+00 a 0 0 0 0 0 89 3.961 59.351 1.856 1 T 3.166e+07 0.00e+00 a 0 0 0 0 0 90 4.270 56.145 1.162 1 T 1.721e+07 0.00e+00 a 0 0 0 0 0 91 4.186 57.085 2.113 1 T 1.599e+07 0.00e+00 a 0 0 0 0 0 92 2.689 37.686 6.726 1 T 2.036e+06 0.00e+00 a 0 0 0 0 0 94 2.379 36.222 4.116 1 T 1.135e+07 0.00e+00 a 0 0 0 0 0 96 1.943 40.946 0.978 1 T 2.002e+07 0.00e+00 a 0 0 0 0 0 100 0.775 20.317 3.894 1 T 9.758e+06 0.00e+00 a 0 0 0 0 0 101 3.233 41.679 8.473 1 T 4.419e+06 0.00e+00 a 0 0 0 0 0 102 3.961 59.351 8.333 1 T 2.118e+07 0.00e+00 a 0 0 0 0 0 103 1.653 28.324 3.264 1 T 1.361e+07 0.00e+00 a 0 0 0 0 0 106 3.958 59.993 1.837 1 T 3.110e+07 0.00e+00 a 0 0 0 0 0 112 2.284 32.032 2.130 1 T 9.248e+06 0.00e+00 a 0 0 0 0 0 113 2.175 19.264 2.576 1 T 1.041e+07 0.00e+00 a 0 0 0 0 0 114 1.462 21.929 4.697 1 T 1.851e+07 0.00e+00 a 0 0 0 0 0 115 5.178 57.308 3.176 1 T 1.104e+07 0.00e+00 a 0 0 0 0 0 116 1.587 29.188 1.361 1 T 1.687e+07 0.00e+00 a 0 0 0 0 0 118 1.015 25.498 3.892 1 T 9.953e+06 0.00e+00 a 0 0 0 0 0 120 4.175 57.549 2.277 1 T 2.554e+07 0.00e+00 a 0 0 0 0 0 121 1.818 30.971 8.442 1 T 9.998e+06 0.00e+00 a 0 0 0 0 0 122 3.945 63.623 7.987 1 T 6.817e+06 0.00e+00 a 0 0 0 0 0 125 4.019 62.293 8.375 1 T 3.815e+07 0.00e+00 a 0 0 0 0 0 126 4.019 62.293 3.148 1 T 1.343e+07 0.00e+00 a 0 0 0 0 0 128 1.490 28.777 2.845 1 T 6.537e+06 0.00e+00 a 0 0 0 0 0 130 1.918 37.982 1.252 1 T 1.193e+07 0.00e+00 a 0 0 0 0 0 131 2.416 31.715 2.031 1 T 1.896e+07 0.00e+00 a 0 0 0 0 0 132 1.928 27.305 3.713 1 T 1.420e+07 0.00e+00 a 0 0 0 0 0 133 2.630 40.664 7.929 1 T 1.925e+07 0.00e+00 a 0 0 0 0 0 134 2.845 42.268 1.168 1 T 6.808e+06 0.00e+00 a 0 0 0 0 0 135 1.983 27.930 2.283 1 T 2.125e+07 0.00e+00 a 0 0 0 0 0 136 4.371 61.774 8.106 1 T 5.003e+06 0.00e+00 a 0 0 0 0 0 137 2.592 37.754 9.155 1 T 6.925e+06 0.00e+00 a 0 0 0 0 0 138 1.946 37.864 0.930 1 T 2.953e+07 0.00e+00 a 0 0 0 0 0 139 3.147 39.227 8.375 1 T 6.633e+06 0.00e+00 a 0 0 0 0 0 144 4.250 57.155 2.187 1 T 2.208e+07 0.00e+00 a 0 0 0 0 0 145 3.956 64.006 1.559 1 T 8.270e+06 0.00e+00 a 0 0 0 0 0 146 2.050 28.911 2.437 1 T 1.459e+07 0.00e+00 a 0 0 0 0 0 149 1.990 30.190 2.379 1 T 3.655e+07 0.00e+00 a 0 0 0 0 0 151 4.333 56.137 1.971 1 T 3.015e+07 0.00e+00 a 0 0 0 0 0 152 3.961 59.351 2.159 1 T 3.481e+07 0.00e+00 a 0 0 0 0 0 155 3.123 40.122 4.787 1 T 5.418e+06 0.00e+00 a 0 0 0 0 0 157 2.499 35.214 7.820 1 T 5.486e+06 0.00e+00 a 0 0 0 0 0 158 4.151 62.953 9.091 1 T 9.102e+06 0.00e+00 a 0 0 0 0 0 159 2.937 41.679 8.473 1 T 4.956e+06 0.00e+00 a 0 0 0 0 0 160 3.894 64.658 1.963 1 T 2.059e+07 0.00e+00 a 0 0 0 0 0 161 2.437 37.199 1.961 1 T 1.641e+07 0.00e+00 a 0 0 0 0 0 163 1.902 30.258 8.414 1 T 7.003e+06 0.00e+00 a 0 0 0 0 0 164 3.146 44.571 5.028 1 T 7.921e+06 0.00e+00 a 0 0 0 0 0 167 4.092 60.598 2.050 1 T 2.525e+07 0.00e+00 a 0 0 0 0 0 168 4.229 69.970 1.173 1 T 2.434e+07 0.00e+00 a 0 0 0 0 0 170 3.961 59.351 2.358 1 T 1.164e+07 0.00e+00 a 0 0 0 0 0 173 1.462 21.929 4.905 1 T 2.361e+07 0.00e+00 a 0 0 0 0 0 174 4.186 57.085 1.999 1 T 4.024e+07 0.00e+00 a 0 0 0 0 0 176 4.666 54.209 3.055 1 T 3.545e+06 0.00e+00 a 0 0 0 0 0 177 0.982 25.697 2.139 1 T 1.362e+07 0.00e+00 a 0 0 0 0 0 178 4.641 54.426 8.227 1 T 8.752e+06 0.00e+00 a 0 0 0 0 0 179 0.823 20.563 4.014 1 T 1.618e+07 0.00e+00 a 0 0 0 0 0 180 2.113 36.153 8.431 1 T 5.951e+06 0.00e+00 a 0 0 0 0 0 181 2.379 36.222 1.991 1 T 3.169e+07 0.00e+00 a 0 0 0 0 0 185 1.943 40.946 8.568 1 T 7.878e+06 0.00e+00 a 0 0 0 0 0 188 0.934 17.358 3.963 1 T 1.194e+07 0.00e+00 a 0 0 0 0 0 190 2.113 36.153 4.186 1 T 6.426e+06 0.00e+00 a 0 0 0 0 0 192 1.427 26.658 1.501 1 T 4.334e+07 0.00e+00 a 0 0 0 0 0 197 1.946 37.864 1.010 1 T 3.594e+07 0.00e+00 a 0 0 0 0 0 202 0.930 13.476 1.954 1 T 8.386e+06 0.00e+00 a 0 0 0 0 0 206 1.490 28.777 8.036 1 T 1.634e+06 0.00e+00 a 0 0 0 0 0 207 2.503 42.089 7.901 1 T 4.561e+06 0.00e+00 a 0 0 0 0 0 208 0.775 20.317 8.163 1 T 1.193e+07 0.00e+00 a 0 0 0 0 0 209 3.264 43.731 2.023 1 T 1.313e+07 0.00e+00 a 0 0 0 0 0 215 0.775 20.317 3.894 1 T 9.758e+06 0.00e+00 a 0 0 0 0 0 216 3.956 64.006 0.934 1 T 2.353e+07 0.00e+00 a 0 0 0 0 0 220 4.524 58.092 3.030 1 T 2.536e+07 0.00e+00 a 0 0 0 0 0 221 1.716 40.917 1.945 1 T 2.915e+07 0.00e+00 a 0 0 0 0 0 223 3.045 38.997 4.483 1 T 1.302e+07 0.00e+00 a 0 0 0 0 0 225 2.058 31.385 4.015 1 T 1.156e+07 0.00e+00 a 0 0 0 0 0 232 1.963 31.644 0.775 1 T 4.781e+07 0.00e+00 a 0 0 0 0 0 233 4.131 57.790 0.952 1 T 3.238e+07 0.00e+00 a 0 0 0 0 0 235 3.622 50.628 1.930 1 T 2.430e+07 0.00e+00 a 0 0 0 0 0 240 3.264 43.731 1.653 1 T 1.713e+07 0.00e+00 a 0 0 0 0 0 241 4.003 50.195 2.031 1 T 1.030e+07 0.00e+00 a 0 0 0 0 0 243 1.248 28.691 1.918 1 T 5.462e+06 0.00e+00 a 0 0 0 0 0 244 2.499 35.214 1.961 1 T 4.003e+06 0.00e+00 a 0 0 0 0 0 245 2.176 32.074 7.597 1 T 1.557e+07 0.00e+00 a 0 0 0 0 0 247 1.946 27.309 1.014 1 T 3.004e+07 0.00e+00 a 0 0 0 0 0 248 4.925 52.628 1.728 1 T 4.158e+06 0.00e+00 a 0 0 0 0 0 249 4.057 64.318 8.297 1 T 1.145e+07 0.00e+00 a 0 0 0 0 0 251 4.014 62.469 0.823 1 T 3.160e+07 0.00e+00 a 0 0 0 0 0 253 1.944 40.917 4.130 1 T 5.953e+06 0.00e+00 a 0 0 0 0 0 254 1.946 37.864 8.299 1 T 2.297e+07 0.00e+00 a 0 0 0 0 0 255 4.270 56.145 1.523 1 T 1.988e+07 0.00e+00 a 0 0 0 0 0 258 4.114 58.924 1.557 1 T 1.474e+07 0.00e+00 a 0 0 0 0 0 259 2.009 28.035 1.016 1 T 2.271e+07 0.00e+00 a 0 0 0 0 0 261 3.327 40.242 7.910 1 T 1.448e+07 0.00e+00 a 0 0 0 0 0 266 1.943 40.946 1.016 1 T 2.100e+07 0.00e+00 a 0 0 0 0 0 267 3.051 37.686 6.728 1 T 2.382e+06 0.00e+00 a 0 0 0 0 0 270 4.114 58.924 7.569 1 T 1.379e+07 0.00e+00 a 0 0 0 0 0 272 0.775 20.317 1.963 1 T 1.971e+07 0.00e+00 a 0 0 0 0 0 273 1.011 17.702 8.253 1 T 6.323e+06 0.00e+00 a 0 0 0 0 0 275 3.051 37.686 4.670 1 T 1.150e+07 0.00e+00 a 0 0 0 0 0 277 4.561 54.474 2.723 1 T 4.152e+07 0.00e+00 a 0 0 0 0 0 279 4.078 59.265 1.694 1 T 1.234e+07 0.00e+00 a 0 0 0 0 0 280 4.078 59.265 1.957 1 T 2.002e+07 0.00e+00 a 0 0 0 0 0 281 3.203 42.932 1.694 1 T 2.078e+07 0.00e+00 a 0 0 0 0 0 282 4.118 57.797 2.220 1 T 1.737e+07 0.00e+00 a 0 0 0 0 0 283 1.369 19.425 8.456 1 T 9.916e+06 0.00e+00 a 0 0 0 0 0 284 2.009 28.035 0.978 1 T 2.053e+07 0.00e+00 a 0 0 0 0 0 285 1.924 33.170 1.557 1 T 6.054e+06 0.00e+00 a 0 0 0 0 0 286 3.865 64.190 2.184 1 T 1.336e+07 0.00e+00 a 0 0 0 0 0 287 2.023 30.154 7.364 1 T 1.481e+06 0.00e+00 a 0 0 0 0 0 289 3.956 64.006 1.252 1 T 1.201e+07 0.00e+00 a 0 0 0 0 0 293 1.856 29.817 2.358 1 T 7.899e+06 0.00e+00 a 0 0 0 0 0 296 1.924 33.170 1.485 1 T 6.071e+06 0.00e+00 a 0 0 0 0 0 297 1.946 27.309 1.716 1 T 1.257e+07 0.00e+00 a 0 0 0 0 0 298 0.913 21.218 3.859 1 T 1.381e+07 0.00e+00 a 0 0 0 0 0 300 4.092 60.598 2.411 1 T 1.366e+07 0.00e+00 a 0 0 0 0 0 301 2.000 30.727 2.499 1 T 1.731e+07 0.00e+00 a 0 0 0 0 0 303 2.813 40.869 4.550 1 T 8.178e+06 0.00e+00 a 0 0 0 0 0 304 3.622 50.628 2.006 1 T 2.287e+07 0.00e+00 a 0 0 0 0 0 305 2.023 30.154 3.264 1 T 1.148e+07 0.00e+00 a 0 0 0 0 0 306 4.057 64.318 1.010 1 T 1.672e+07 0.00e+00 a 0 0 0 0 0 308 3.439 42.715 4.237 1 T 5.191e+06 0.00e+00 a 0 0 0 0 0 309 2.113 36.153 1.836 1 T 3.274e+07 0.00e+00 a 0 0 0 0 0 312 4.543 54.899 2.543 1 T 1.380e+07 0.00e+00 a 0 0 0 0 0 313 4.182 58.924 1.960 1 T 2.394e+07 0.00e+00 a 0 0 0 0 0 315 0.409 23.778 1.501 1 T 1.086e+07 0.00e+00 a 0 0 0 0 0 317 4.453 54.840 8.095 1 T 1.040e+07 0.00e+00 a 0 0 0 0 0 327 1.834 32.032 1.983 1 T 2.899e+07 0.00e+00 a 0 0 0 0 0 329 4.131 57.790 1.014 1 T 2.543e+07 0.00e+00 a 0 0 0 0 0 331 2.201 36.436 4.252 1 T 1.085e+07 0.00e+00 a 0 0 0 0 0 334 4.406 61.707 8.251 1 T 6.802e+06 0.00e+00 a 0 0 0 0 0 337 4.629 55.293 3.239 1 T 1.027e+07 0.00e+00 a 0 0 0 0 0 339 2.262 28.489 4.003 1 T 8.782e+06 0.00e+00 a 0 0 0 0 0 340 3.883 63.851 4.356 1 T 1.444e+07 0.00e+00 a 0 0 0 0 0 344 4.981 52.856 3.234 1 T 1.451e+07 0.00e+00 a 0 0 0 0 0 346 2.031 28.489 2.281 1 T 2.598e+07 0.00e+00 a 0 0 0 0 0 347 4.333 56.137 2.151 1 T 2.155e+07 0.00e+00 a 0 0 0 0 0 348 1.958 29.850 2.676 1 T 7.606e+06 0.00e+00 a 0 0 0 0 0 353 1.557 24.767 1.924 1 T 6.155e+06 0.00e+00 a 0 0 0 0 0 355 2.006 27.305 2.228 1 T 2.517e+07 0.00e+00 a 0 0 0 0 0 356 2.957 40.122 4.782 1 T 3.672e+06 0.00e+00 a 0 0 0 0 0 357 1.555 28.691 0.934 1 T 1.014e+07 0.00e+00 a 0 0 0 0 0 358 4.019 62.293 3.010 1 T 9.964e+06 0.00e+00 a 0 0 0 0 0 364 3.958 59.993 2.023 1 T 6.184e+07 0.00e+00 a 0 0 0 0 0 365 1.983 27.930 3.674 1 T 1.595e+07 0.00e+00 a 0 0 0 0 0 366 0.409 23.778 3.611 1 T 4.878e+06 0.00e+00 a 0 0 0 0 0 367 4.613 58.275 2.592 1 T 6.807e+06 0.00e+00 a 0 0 0 0 0 368 3.602 57.224 0.532 1 T 6.677e+06 0.00e+00 a 0 0 0 0 0 371 1.486 24.767 1.925 1 T 6.014e+06 0.00e+00 a 0 0 0 0 0 372 0.953 23.229 4.134 1 T 1.438e+07 0.00e+00 a 0 0 0 0 0 379 3.956 64.006 0.856 1 T 1.296e+07 0.00e+00 a 0 0 0 0 0 382 1.292 29.317 1.010 1 T 1.175e+07 0.00e+00 a 0 0 0 0 0 383 1.510 42.103 7.968 1 T 7.566e+06 0.00e+00 a 0 0 0 0 0 385 0.823 20.563 2.062 1 T 3.946e+07 0.00e+00 a 0 0 0 0 0 390 4.476 58.132 7.929 1 T 1.450e+07 0.00e+00 a 0 0 0 0 0 396 1.015 25.498 1.959 1 T 3.271e+07 0.00e+00 a 0 0 0 0 0 398 3.484 50.001 1.117 1 T 1.469e+07 0.00e+00 a 0 0 0 0 0 403 4.131 57.790 8.500 1 T 1.076e+07 0.00e+00 a 0 0 0 0 0 404 1.241 21.899 3.946 1 T 1.765e+07 0.00e+00 a 0 0 0 0 0 406 2.113 36.153 1.836 1 T 3.274e+07 0.00e+00 a 0 0 0 0 0 407 4.092 60.598 2.252 1 T 2.558e+07 0.00e+00 a 0 0 0 0 0 408 1.729 33.391 4.321 1 T 6.657e+06 0.00e+00 a 0 0 0 0 0 409 2.984 39.395 8.310 1 T 1.172e+07 0.00e+00 a 0 0 0 0 0 411 1.011 17.702 1.293 1 T 1.147e+07 0.00e+00 a 0 0 0 0 0 416 4.360 52.501 8.456 1 T 8.944e+06 0.00e+00 a 0 0 0 0 0 418 4.322 56.113 1.587 1 T 2.300e+07 0.00e+00 a 0 0 0 0 0 421 3.713 50.628 1.930 1 T 2.211e+07 0.00e+00 a 0 0 0 0 0 427 4.901 68.320 4.697 1 T 6.500e+06 0.00e+00 a 0 0 0 0 0 428 2.574 32.983 2.341 1 T 6.415e+06 0.00e+00 a 0 0 0 0 0 429 2.142 36.490 3.953 1 T 8.428e+06 0.00e+00 a 0 0 0 0 0 431 4.398 57.085 7.929 1 T 2.675e+07 0.00e+00 a 0 0 0 0 0 433 0.953 23.229 1.718 1 T 9.859e+06 0.00e+00 a 0 0 0 0 0 437 1.918 37.982 3.963 1 T 1.524e+07 0.00e+00 a 0 0 0 0 0 438 0.832 21.333 8.831 1 T 5.465e+06 0.00e+00 a 0 0 0 0 0 440 2.058 31.385 0.876 1 T 7.324e+07 0.00e+00 a 0 0 0 0 0 449 2.000 30.727 7.820 1 T 1.268e+07 0.00e+00 a 0 0 0 0 0 450 4.118 57.797 1.991 1 T 6.756e+07 0.00e+00 a 0 0 0 0 0 453 3.051 37.686 7.345 1 T 4.454e+06 0.00e+00 a 0 0 0 0 0 455 2.437 37.199 2.050 1 T 1.490e+07 0.00e+00 a 0 0 0 0 0 458 4.524 58.092 2.936 1 T 2.803e+07 0.00e+00 a 0 0 0 0 0 459 2.176 32.074 1.027 1 T 2.551e+07 0.00e+00 a 0 0 0 0 0 460 2.081 31.387 0.832 1 T 7.274e+07 0.00e+00 a 0 0 0 0 0 461 2.187 36.209 8.444 1 T 6.725e+06 0.00e+00 a 0 0 0 0 0 463 3.680 42.715 8.253 1 T 6.749e+06 0.00e+00 a 0 0 0 0 0 466 3.931 45.418 8.396 1 T 5.358e+06 0.00e+00 a 0 0 0 0 0 468 4.319 59.064 7.981 1 T 1.076e+07 0.00e+00 a 0 0 0 0 0 471 1.836 29.996 4.186 1 T 1.085e+07 0.00e+00 a 0 0 0 0 0 472 3.894 64.658 0.775 1 T 2.835e+07 0.00e+00 a 0 0 0 0 0 473 4.599 54.338 2.742 1 T 2.780e+07 0.00e+00 a 0 0 0 0 0 478 1.486 24.767 1.983 1 T 7.790e+06 0.00e+00 a 0 0 0 0 0 480 0.527 24.756 1.427 1 T 1.217e+07 0.00e+00 a 0 0 0 0 0 481 1.928 27.305 3.622 1 T 1.693e+07 0.00e+00 a 0 0 0 0 0 482 3.327 40.242 7.910 1 T 1.448e+07 0.00e+00 a 0 0 0 0 0 483 2.892 38.997 7.929 1 T 6.699e+06 0.00e+00 a 0 0 0 0 0 486 0.913 21.218 2.168 1 T 2.904e+07 0.00e+00 a 0 0 0 0 0 487 2.280 30.531 4.349 1 T 1.404e+07 0.00e+00 a 0 0 0 0 0 488 4.279 59.736 7.910 1 T 1.305e+07 0.00e+00 a 0 0 0 0 0 491 2.081 31.387 8.831 1 T 1.494e+07 0.00e+00 a 0 0 0 0 0 493 0.934 17.358 1.918 1 T 2.156e+07 0.00e+00 a 0 0 0 0 0 494 1.653 28.324 3.264 1 T 1.361e+07 0.00e+00 a 0 0 0 0 0 495 4.114 58.924 1.925 1 T 4.782e+07 0.00e+00 a 0 0 0 0 0 496 2.416 31.715 2.281 1 T 9.849e+06 0.00e+00 a 0 0 0 0 0 497 1.946 27.309 4.134 1 T 5.915e+06 0.00e+00 a 0 0 0 0 0 498 4.372 66.554 2.281 1 T 8.294e+06 0.00e+00 a 0 0 0 0 0 499 3.603 44.597 8.034 1 T 8.573e+06 0.00e+00 a 0 0 0 0 0 501 3.194 42.198 4.811 1 T 1.043e+07 0.00e+00 a 0 0 0 0 0 502 2.499 35.214 2.050 1 T 5.015e+06 0.00e+00 a 0 0 0 0 0 503 3.484 50.001 2.285 1 T 2.999e+06 0.00e+00 a 0 0 0 0 0 507 4.925 52.628 2.568 1 T 7.067e+06 0.00e+00 a 0 0 0 0 0 509 4.237 59.276 3.683 1 T 1.908e+07 0.00e+00 a 0 0 0 0 0 511 1.946 27.309 0.952 1 T 3.060e+07 0.00e+00 a 0 0 0 0 0 512 3.013 42.250 4.698 1 T 7.588e+06 0.00e+00 a 0 0 0 0 0 515 1.836 29.996 1.999 1 T 5.717e+07 0.00e+00 a 0 0 0 0 0 516 2.592 37.754 4.613 1 T 9.352e+06 0.00e+00 a 0 0 0 0 0 518 2.719 38.963 4.561 1 T 2.683e+07 0.00e+00 a 0 0 0 0 0 519 1.716 40.917 0.952 1 T 1.029e+07 0.00e+00 a 0 0 0 0 0 520 1.641 33.391 1.357 1 T 8.091e+06 0.00e+00 a 0 0 0 0 0 521 4.371 61.774 1.173 1 T 2.792e+07 0.00e+00 a 0 0 0 0 0 522 2.212 36.222 7.755 1 T 4.069e+06 0.00e+00 a 0 0 0 0 0 524 1.241 21.899 7.840 1 T 6.266e+06 0.00e+00 a 0 0 0 0 0 525 4.599 54.338 8.217 1 T 8.066e+06 0.00e+00 a 0 0 0 0 0 526 4.092 60.598 1.961 1 T 3.962e+07 0.00e+00 a 0 0 0 0 0 527 1.015 25.498 2.139 1 T 2.129e+07 0.00e+00 a 0 0 0 0 0 531 1.716 40.917 4.130 1 T 5.166e+06 0.00e+00 a 0 0 0 0 0 534 2.142 36.490 1.856 1 T 2.449e+07 0.00e+00 a 0 0 0 0 0 536 2.566 42.089 4.643 1 T 1.154e+07 0.00e+00 a 0 0 0 0 0 537 1.999 36.153 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8.636e+06 0.00e+00 a 0 0 0 0 0 574 2.281 36.300 8.344 1 T 6.167e+06 0.00e+00 a 0 0 0 0 0 575 2.252 37.199 2.050 1 T 9.474e+06 0.00e+00 a 0 0 0 0 0 576 2.730 41.329 4.642 1 T 1.712e+07 0.00e+00 a 0 0 0 0 0 577 3.431 67.687 0.864 1 T 2.849e+07 0.00e+00 a 0 0 0 0 0 580 2.499 35.214 4.180 1 T 6.116e+06 0.00e+00 a 0 0 0 0 0 581 3.327 40.242 4.280 1 T 1.567e+07 0.00e+00 a 0 0 0 0 0 582 2.730 41.329 8.221 1 T 2.498e+07 0.00e+00 a 0 0 0 0 0 584 4.372 66.554 2.031 1 T 1.452e+07 0.00e+00 a 0 0 0 0 0 587 4.114 58.924 1.485 1 T 1.011e+07 0.00e+00 a 0 0 0 0 0 589 1.961 28.911 4.097 1 T 1.470e+07 0.00e+00 a 0 0 0 0 0 591 2.628 41.329 8.221 1 T 6.205e+06 0.00e+00 a 0 0 0 0 0 592 1.928 27.305 2.228 1 T 2.712e+07 0.00e+00 a 0 0 0 0 0 594 4.322 56.113 1.729 1 T 2.660e+07 0.00e+00 a 0 0 0 0 0 595 1.971 30.971 4.334 1 T 1.123e+07 0.00e+00 a 0 0 0 0 0 597 3.484 50.001 4.340 1 T 1.558e+07 0.00e+00 a 0 0 0 0 0 601 2.997 44.571 5.024 1 T 7.019e+06 0.00e+00 a 0 0 0 0 0 606 1.427 26.658 0.411 1 T 1.373e+07 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1.556 18.184 4.369 1 T 2.394e+07 0.00e+00 a 0 0 0 0 0 674 4.014 62.469 0.878 1 T 3.470e+07 0.00e+00 a 0 0 0 0 0 677 0.409 23.778 1.501 1 T 1.086e+07 0.00e+00 a 0 0 0 0 0 679 4.524 58.092 8.081 1 T 1.108e+07 0.00e+00 a 0 0 0 0 0 680 1.987 29.272 4.045 1 T 1.306e+07 0.00e+00 a 0 0 0 0 0 682 4.666 54.209 2.695 1 T 2.047e+07 0.00e+00 a 0 0 0 0 0 683 5.028 54.533 2.998 1 T 2.300e+07 0.00e+00 a 0 0 0 0 0 687 4.255 69.939 4.407 1 T 8.661e+07 0.00e+00 a 0 0 0 0 0 688 4.078 59.265 8.429 1 T 7.812e+06 0.00e+00 a 0 0 0 0 0 689 4.453 57.910 2.736 1 T 2.160e+07 0.00e+00 a 0 0 0 0 0 691 3.431 67.687 0.832 1 T 2.849e+07 0.00e+00 a 0 0 0 0 0 695 2.023 30.154 3.966 1 T 1.853e+07 0.00e+00 a 0 0 0 0 0 696 4.326 67.038 8.309 1 T 7.426e+06 0.00e+00 a 0 0 0 0 0 698 3.602 57.224 1.501 1 T 1.659e+07 0.00e+00 a 0 0 0 0 0 700 2.031 28.489 2.411 1 T 1.347e+07 0.00e+00 a 0 0 0 0 0 701 2.689 37.686 8.114 1 T 4.244e+06 0.00e+00 a 0 0 0 0 0 702 4.931 53.753 2.813 1 T 1.117e+07 0.00e+00 a 0 0 0 0 0 703 4.643 53.282 2.533 1 T 9.333e+06 0.00e+00 a 0 0 0 0 0 704 4.118 57.797 2.393 1 T 9.824e+06 0.00e+00 a 0 0 0 0 0 705 4.397 57.085 2.630 1 T 3.139e+07 0.00e+00 a 0 0 0 0 0 706 4.175 57.549 1.985 1 T 6.795e+07 0.00e+00 a 0 0 0 0 0 707 2.847 39.395 8.264 1 T 1.047e+07 0.00e+00 a 0 0 0 0 0 711 2.175 19.264 2.454 1 T 8.066e+06 0.00e+00 a 0 0 0 0 0 713 2.092 32.829 1.947 1 T 1.309e+07 0.00e+00 a 0 0 0 0 0 714 4.641 54.426 2.732 1 T 2.368e+07 0.00e+00 a 0 0 0 0 0 716 1.173 21.609 4.371 1 T 1.648e+07 0.00e+00 a 0 0 0 0 0 719 4.361 58.845 3.806 1 T 3.945e+07 0.00e+00 a 0 0 0 0 0 721 0.875 21.576 2.062 1 T 2.986e+07 0.00e+00 a 0 0 0 0 0 726 4.599 54.338 2.655 1 T 1.960e+07 0.00e+00 a 0 0 0 0 0 727 2.092 32.829 4.654 1 T 7.413e+06 0.00e+00 a 0 0 0 0 0 729 2.212 36.222 4.116 1 T 9.277e+06 0.00e+00 a 0 0 0 0 0 730 2.023 30.154 1.837 1 T 5.268e+07 0.00e+00 a 0 0 0 0 0 732 3.673 50.001 1.982 1 T 1.276e+07 0.00e+00 a 0 0 0 0 0 733 1.923 32.120 3.622 1 T 9.740e+06 0.00e+00 a 0 0 0 0 0 735 4.270 56.123 1.597 1 T 2.484e+07 0.00e+00 a 0 0 0 0 0 737 3.713 50.628 2.006 1 T 1.925e+07 0.00e+00 a 0 0 0 0 0 742 3.009 42.198 4.811 1 T 8.176e+06 0.00e+00 a 0 0 0 0 0 747 4.191 69.350 1.144 1 T 3.154e+07 0.00e+00 a 0 0 0 0 0 748 4.981 52.856 8.855 1 T 9.237e+06 0.00e+00 a 0 0 0 0 0 750 2.229 32.120 4.535 1 T 1.213e+07 0.00e+00 a 0 0 0 0 0 756 0.982 25.697 2.009 1 T 1.579e+07 0.00e+00 a 0 0 0 0 0 759 2.142 36.490 8.333 1 T 6.135e+06 0.00e+00 a 0 0 0 0 0 760 4.453 57.910 2.855 1 T 3.346e+07 0.00e+00 a 0 0 0 0 0 762 2.081 31.387 3.427 1 T 6.004e+06 0.00e+00 a 0 0 0 0 0 764 1.011 17.702 1.957 1 T 1.920e+07 0.00e+00 a 0 0 0 0 0 769 1.555 28.691 3.955 1 T 4.473e+06 0.00e+00 a 0 0 0 0 0 772 2.211 32.829 4.654 1 T 6.602e+06 0.00e+00 a 0 0 0 0 0 773 2.006 27.305 1.930 1 T 2.230e+08 0.00e+00 a 0 0 0 0 0 774 0.934 17.358 1.252 1 T 1.251e+07 0.00e+00 a 0 0 0 0 0 775 3.190 41.707 4.932 1 T 9.219e+06 0.00e+00 a 0 0 0 0 0 778 3.961 59.351 2.076 1 T 5.712e+07 0.00e+00 a 0 0 0 0 0 779 4.078 59.265 3.196 1 T 1.451e+07 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4.372 66.554 2.411 1 T 2.379e+07 0.00e+00 a 0 0 0 0 0 845 1.923 32.120 2.006 1 T 1.480e+08 0.00e+00 a 0 0 0 0 0 846 3.713 50.628 1.930 1 T 2.211e+07 0.00e+00 a 0 0 0 0 0 847 2.000 30.727 4.180 1 T 3.022e+07 0.00e+00 a 0 0 0 0 0 848 2.499 35.214 7.820 1 T 5.486e+06 0.00e+00 a 0 0 0 0 0 849 1.694 27.215 1.979 1 T 1.631e+07 0.00e+00 a 0 0 0 0 0 853 1.486 24.767 4.122 1 T 5.217e+06 0.00e+00 a 0 0 0 0 0 854 1.555 28.691 0.856 1 T 1.458e+07 0.00e+00 a 0 0 0 0 0 856 1.292 29.317 0.930 1 T 1.538e+07 0.00e+00 a 0 0 0 0 0 859 1.653 28.324 2.023 1 T 1.435e+07 0.00e+00 a 0 0 0 0 0 860 2.281 36.300 4.174 1 T 9.291e+06 0.00e+00 a 0 0 0 0 0 867 4.540 62.964 2.228 1 T 2.200e+07 0.00e+00 a 0 0 0 0 0 868 3.865 64.190 7.597 1 T 1.094e+07 0.00e+00 a 0 0 0 0 0 873 2.854 41.183 4.453 1 T 1.201e+07 0.00e+00 a 0 0 0 0 0 874 3.673 50.001 2.128 1 T 9.979e+06 0.00e+00 a 0 0 0 0 0 875 2.284 32.032 1.983 1 T 1.106e+07 0.00e+00 a 0 0 0 0 0 878 3.848 63.623 4.321 1 T 1.512e+07 0.00e+00 a 0 0 0 0 0 879 3.264 43.731 1.837 1 T 1.384e+07 0.00e+00 a 0 0 0 0 0 881 4.666 54.209 8.114 1 T 1.039e+07 0.00e+00 a 0 0 0 0 0 882 1.014 25.104 4.134 1 T 1.082e+07 0.00e+00 a 0 0 0 0 0 883 2.176 32.074 3.867 1 T 1.307e+07 0.00e+00 a 0 0 0 0 0 884 2.281 36.300 1.985 1 T 1.851e+07 0.00e+00 a 0 0 0 0 0 888 3.431 67.687 2.081 1 T 6.290e+06 0.00e+00 a 0 0 0 0 0 893 1.856 29.817 2.159 1 T 4.036e+07 0.00e+00 a 0 0 0 0 0 895 4.374 55.223 7.797 1 T 1.381e+07 0.00e+00 a 0 0 0 0 0 896 4.333 56.137 1.817 1 T 2.237e+07 0.00e+00 a 0 0 0 0 0 898 0.527 24.756 1.501 1 T 1.475e+07 0.00e+00 a 0 0 0 0 0 899 1.999 36.153 1.836 1 T 3.970e+07 0.00e+00 a 0 0 0 0 0 901 0.875 21.576 4.016 1 T 1.482e+07 0.00e+00 a 0 0 0 0 0 902 3.012 38.362 4.395 1 T 1.648e+07 0.00e+00 a 0 0 0 0 0 905 2.131 40.946 0.978 1 T 7.631e+06 0.00e+00 a 0 0 0 0 0 906 2.900 42.268 1.168 1 T 6.544e+06 0.00e+00 a 0 0 0 0 0 907 0.832 21.333 3.427 1 T 1.159e+07 0.00e+00 a 0 0 0 0 0 908 1.490 28.777 2.900 1 T 6.793e+06 0.00e+00 a 0 0 0 0 0 909 1.961 28.911 8.718 1 T 7.769e+06 0.00e+00 a 0 0 0 0 0 910 3.912 59.813 2.190 1 T 1.792e+07 0.00e+00 a 0 0 0 0 0 911 1.120 17.291 7.914 1 T 1.947e+07 0.00e+00 a 0 0 0 0 0 914 2.499 35.214 6.881 1 T 3.223e+06 0.00e+00 a 0 0 0 0 0 915 1.961 28.911 2.437 1 T 1.458e+07 0.00e+00 a 0 0 0 0 0 920 1.015 25.498 8.568 1 T 3.891e+06 0.00e+00 a 0 0 0 0 0 922 4.014 62.469 2.064 1 T 1.754e+07 0.00e+00 a 0 0 0 0 0 924 1.523 28.777 8.036 1 T 1.593e+06 0.00e+00 a 0 0 0 0 0 926 4.540 62.964 2.006 1 T 3.150e+06 0.00e+00 a 0 0 0 0 0 928 4.241 62.451 2.286 1 T 3.398e+07 0.00e+00 a 0 0 0 0 0 930 2.023 30.154 8.028 1 T 1.331e+07 0.00e+00 a 0 0 0 0 0 934 2.023 30.154 3.264 1 T 1.148e+07 0.00e+00 a 0 0 0 0 0 935 2.201 36.436 8.414 1 T 5.393e+06 0.00e+00 a 0 0 0 0 0 938 3.115 42.250 7.895 1 T 4.153e+06 0.00e+00 a 0 0 0 0 0 939 2.388 36.300 1.985 1 T 3.615e+07 0.00e+00 a 0 0 0 0 0 940 2.057 29.817 3.953 1 T 1.606e+07 0.00e+00 a 0 0 0 0 0 943 2.845 42.268 1.490 1 T 8.658e+06 0.00e+00 a 0 0 0 0 0 946 2.229 32.120 1.928 1 T 4.691e+07 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1011 2.437 37.199 4.097 1 T 8.658e+06 0.00e+00 a 0 0 0 0 0 1014 1.555 28.691 8.257 1 T 4.958e+06 0.00e+00 a 0 0 0 0 0 1015 1.944 40.917 0.952 1 T 2.002e+07 0.00e+00 a 0 0 0 0 0 1016 4.182 58.924 7.820 1 T 1.186e+07 0.00e+00 a 0 0 0 0 0 1017 3.190 41.707 8.442 1 T 6.416e+06 0.00e+00 a 0 0 0 0 0 1018 4.186 57.085 8.431 1 T 1.236e+07 0.00e+00 a 0 0 0 0 0 1020 2.000 30.727 2.499 1 T 1.731e+07 0.00e+00 a 0 0 0 0 0 1022 2.252 37.199 4.097 1 T 1.022e+07 0.00e+00 a 0 0 0 0 0 1023 2.719 38.963 7.388 1 T 1.280e+07 0.00e+00 a 0 0 0 0 0 1026 3.115 42.250 4.698 1 T 4.827e+06 0.00e+00 a 0 0 0 0 0 1029 1.958 29.850 2.190 1 T 2.838e+07 0.00e+00 a 0 0 0 0 0 1030 1.777 27.215 1.985 1 T 1.619e+07 0.00e+00 a 0 0 0 0 0 1035 1.653 28.324 1.857 1 T 3.761e+07 0.00e+00 a 0 0 0 0 0 1036 1.729 33.391 1.361 1 T 7.685e+06 0.00e+00 a 0 0 0 0 0 1037 2.689 37.686 7.342 1 T 3.335e+06 0.00e+00 a 0 0 0 0 0 1041 2.735 40.869 8.092 1 T 6.739e+06 0.00e+00 a 0 0 0 0 0 1042 2.719 38.963 7.388 1 T 1.280e+07 0.00e+00 a 0 0 0 0 0 1043 4.489 56.166 6.455 1 T 2.733e+06 0.00e+00 a 0 0 0 0 0 1045 1.924 33.170 4.122 1 T 1.494e+07 0.00e+00 a 0 0 0 0 0 1046 2.201 36.436 1.902 1 T 2.613e+07 0.00e+00 a 0 0 0 0 0 1048 1.836 29.996 4.186 1 T 1.085e+07 0.00e+00 a 0 0 0 0 0 1049 2.128 27.930 1.834 1 T 1.184e+07 0.00e+00 a 0 0 0 0 0 1056 4.255 69.939 8.251 1 T 5.337e+06 0.00e+00 a 0 0 0 0 0 1060 4.092 60.598 8.718 1 T 1.292e+07 0.00e+00 a 0 0 0 0 0 1061 1.983 27.930 3.491 1 T 9.045e+06 0.00e+00 a 0 0 0 0 0 1064 2.742 40.664 4.396 1 T 2.937e+07 0.00e+00 a 0 0 0 0 0 1065 1.990 30.190 2.379 1 T 3.655e+07 0.00e+00 a 0 0 0 0 0 1071 1.248 28.691 8.257 1 T 3.972e+06 0.00e+00 a 0 0 0 0 0 1074 1.027 21.581 7.597 1 T 1.329e+07 0.00e+00 a 0 0 0 0 0 1078 3.892 58.505 1.959 1 T 1.542e+07 0.00e+00 a 0 0 0 0 0 1080 2.628 41.329 4.647 1 T 8.779e+06 0.00e+00 a 0 0 0 0 0 1082 1.427 26.658 3.611 1 T 3.903e+06 0.00e+00 a 0 0 0 0 0 1083 1.557 24.767 4.122 1 T 4.694e+06 0.00e+00 a 0 0 0 0 0 1084 2.416 31.715 4.369 1 T 1.130e+07 0.00e+00 a 0 0 0 0 0 1085 3.602 57.224 0.412 1 T 1.123e+07 0.00e+00 a 0 0 0 0 0 1087 0.527 24.756 1.501 1 T 1.475e+07 0.00e+00 a 0 0 0 0 0 1088 2.937 41.679 4.634 1 T 6.200e+06 0.00e+00 a 0 0 0 0 0 1091 4.374 55.223 1.556 1 T 4.595e+07 0.00e+00 a 0 0 0 0 0 1096 2.128 27.930 3.672 1 T 7.912e+06 0.00e+00 a 0 0 0 0 0 1097 5.028 54.533 7.429 1 T 6.400e+06 0.00e+00 a 0 0 0 0 0 1099 1.490 28.777 4.270 1 T 4.890e+06 0.00e+00 a 0 0 0 0 0 1100 4.322 56.113 1.728 1 T 2.660e+07 0.00e+00 a 0 0 0 0 0 1102 4.348 65.428 2.280 1 T 3.504e+07 0.00e+00 a 0 0 0 0 0 1103 1.248 28.691 0.934 1 T 1.544e+07 0.00e+00 a 0 0 0 0 0 1105 3.912 59.813 1.994 1 T 1.949e+07 0.00e+00 a 0 0 0 0 0 1106 4.182 58.924 2.499 1 T 2.974e+07 0.00e+00 a 0 0 0 0 0 1108 0.934 17.358 1.559 1 T 6.992e+06 0.00e+00 a 0 0 0 0 0 1110 4.613 58.275 2.592 1 T 6.807e+06 0.00e+00 a 0 0 0 0 0 1113 1.027 21.581 3.859 1 T 1.054e+07 0.00e+00 a 0 0 0 0 0 1114 1.248 28.691 0.856 1 T 1.434e+07 0.00e+00 a 0 0 0 0 0 1118 1.427 26.658 7.957 1 T 6.991e+06 0.00e+00 a 0 0 0 0 0 1121 1.168 24.439 4.276 1 T 6.533e+06 0.00e+00 a 0 0 0 0 0 1122 1.856 29.817 3.953 1 T 1.235e+07 0.00e+00 a 0 0 0 0 0 1123 1.834 32.032 4.240 1 T 8.961e+06 0.00e+00 a 0 0 0 0 0 1125 1.918 37.982 1.559 1 T 1.300e+07 0.00e+00 a 0 0 0 0 0 1127 4.453 57.910 8.229 1 T 2.590e+07 0.00e+00 a 0 0 0 0 0 1129 3.958 59.993 1.653 1 T 1.286e+07 0.00e+00 a 0 0 0 0 0 1131 3.892 58.505 8.568 1 T 8.803e+06 0.00e+00 a 0 0 0 0 0 1133 0.982 25.697 8.568 1 T 4.863e+06 0.00e+00 a 0 0 0 0 0 1135 3.807 63.851 4.360 1 T 1.562e+07 0.00e+00 a 0 0 0 0 0 1136 4.629 55.293 2.940 1 T 7.190e+06 0.00e+00 a 0 0 0 0 0 1138 1.836 29.996 1.999 1 T 5.717e+07 0.00e+00 a 0 0 0 0 0 1140 4.186 57.085 1.836 1 T 4.613e+07 0.00e+00 a 0 0 0 0 0 1143 2.694 37.778 8.336 1 T 6.086e+06 0.00e+00 a 0 0 0 0 0 1144 2.131 40.946 1.959 1 T 2.430e+07 0.00e+00 a 0 0 0 0 0 1146 2.031 28.489 4.003 1 T 9.396e+06 0.00e+00 a 0 0 0 0 0 1148 3.961 50.195 2.262 1 T 9.474e+06 0.00e+00 a 0 0 0 0 0 1149 4.395 59.528 8.218 1 T 1.084e+07 0.00e+00 a 0 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0 0 0 0 0 1195 4.096 56.168 8.839 1 T 8.103e+06 0.00e+00 a 0 0 0 0 0 1196 4.118 57.797 7.755 1 T 1.710e+07 0.00e+00 a 0 0 0 0 0 1197 1.555 28.691 1.918 1 T 9.881e+06 0.00e+00 a 0 0 0 0 0 1198 2.388 36.300 8.344 1 T 6.987e+06 0.00e+00 a 0 0 0 0 0 1199 2.262 28.489 2.411 1 T 8.874e+06 0.00e+00 a 0 0 0 0 0 1201 4.561 54.474 8.116 1 T 1.472e+07 0.00e+00 a 0 0 0 0 0 1203 4.489 56.166 7.730 1 T 1.239e+07 0.00e+00 a 0 0 0 0 0 1204 3.892 58.505 0.978 1 T 2.587e+07 0.00e+00 a 0 0 0 0 0 1206 1.140 21.658 4.168 1 T 2.906e+07 0.00e+00 a 0 0 0 0 0 1207 1.427 26.658 1.501 1 T 4.334e+07 0.00e+00 a 0 0 0 0 0 1210 4.361 58.845 3.884 1 T 3.623e+07 0.00e+00 a 0 0 0 0 0 1215 2.542 40.869 8.010 1 T 6.037e+06 0.00e+00 a 0 0 0 0 0 1222 1.486 24.767 1.729 1 T 2.839e+07 0.00e+00 a 0 0 0 0 0 1223 2.057 29.817 8.333 1 T 1.444e+07 0.00e+00 a 0 0 0 0 0 1224 1.014 25.104 1.717 1 T 1.196e+07 0.00e+00 a 0 0 0 0 0 1225 0.832 21.333 2.081 1 T 3.624e+07 0.00e+00 a 0 0 0 0 0 1228 1.311 20.076 8.845 1 T 1.287e+07 0.00e+00 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0.00e+00 a 0 0 0 0 0 1263 4.114 58.924 1.729 1 T 8.996e+06 0.00e+00 a 0 0 0 0 0 1265 3.387 30.251 4.730 1 T 7.223e+06 0.00e+00 a 0 0 0 0 0 1266 1.365 18.180 7.992 1 T 2.232e+07 0.00e+00 a 0 0 0 0 0 1267 4.237 59.276 3.442 1 T 1.571e+07 0.00e+00 a 0 0 0 0 0 1269 2.131 40.946 1.016 1 T 8.607e+06 0.00e+00 a 0 0 0 0 0 1271 3.163 37.778 5.181 1 T 5.856e+06 0.00e+00 a 0 0 0 0 0 1272 2.689 37.686 4.670 1 T 9.171e+06 0.00e+00 a 0 0 0 0 0 1279 1.311 20.076 4.096 1 T 3.539e+07 0.00e+00 a 0 0 0 0 0 1280 2.066 26.364 2.211 1 T 1.513e+07 0.00e+00 a 0 0 0 0 0 1284 2.006 27.305 3.713 1 T 1.463e+07 0.00e+00 a 0 0 0 0 0 1285 3.264 43.731 2.023 1 T 1.313e+07 0.00e+00 a 0 0 0 0 0 1287 2.388 36.300 1.985 1 T 3.615e+07 0.00e+00 a 0 0 0 0 0 1288 1.837 28.324 8.028 1 T 3.669e+06 0.00e+00 a 0 0 0 0 0 1291 1.011 17.702 4.057 1 T 1.387e+07 0.00e+00 a 0 0 0 0 0 1292 4.151 62.953 3.201 1 T 1.350e+07 0.00e+00 a 0 0 0 0 0 1293 5.028 54.533 3.145 1 T 2.255e+07 0.00e+00 a 0 0 0 0 0 1294 4.453 54.840 2.734 1 T 2.100e+07 0.00e+00 a 0 0 0 0 0 1295 2.000 30.727 7.820 1 T 1.268e+07 0.00e+00 a 0 0 0 0 0 1297 4.229 69.970 4.371 1 T 2.537e+07 0.00e+00 a 0 0 0 0 0 1301 1.924 33.170 7.570 1 T 1.086e+07 0.00e+00 a 0 0 0 0 0 1302 4.279 59.736 3.327 1 T 3.843e+07 0.00e+00 a 0 0 0 0 0 1307 0.775 20.317 8.163 1 T 1.193e+07 0.00e+00 a 0 0 0 0 0 1308 4.057 64.318 1.956 1 T 1.416e+07 0.00e+00 a 0 0 0 0 0 1313 1.856 29.817 8.333 1 T 1.002e+07 0.00e+00 a 0 0 0 0 0 1315 3.848 63.623 7.990 1 T 6.044e+06 0.00e+00 a 0 0 0 0 0 1316 4.361 58.845 8.229 1 T 1.543e+07 0.00e+00 a 0 0 0 0 0 1317 3.865 64.190 0.912 1 T 2.067e+07 0.00e+00 a 0 0 0 0 0 1318 0.930 13.476 1.292 1 T 2.345e+07 0.00e+00 a 0 0 0 0 0 1321 2.499 35.214 7.552 1 T 5.618e+06 0.00e+00 a 0 0 0 0 0 1325 1.958 29.850 3.912 1 T 7.720e+06 0.00e+00 a 0 0 0 0 0 1326 1.248 28.691 3.956 1 T 4.997e+06 0.00e+00 a 0 0 0 0 0 1327 2.358 36.490 2.076 1 T 2.444e+07 0.00e+00 a 0 0 0 0 0 1329 4.237 59.276 8.254 1 T 1.285e+07 0.00e+00 a 0 0 0 0 0 1330 1.557 24.767 1.983 1 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1 T 1.403e+07 0.00e+00 a 0 0 0 0 0 1364 2.920 30.251 4.730 1 T 5.604e+06 0.00e+00 a 0 0 0 0 0 1366 4.333 56.137 2.151 1 T 2.155e+07 0.00e+00 a 0 0 0 0 0 1369 4.114 58.924 1.983 1 T 5.196e+07 0.00e+00 a 0 0 0 0 0 1371 2.299 29.850 8.843 1 T 3.229e+06 0.00e+00 a 0 0 0 0 0 1373 2.503 42.089 4.643 1 T 1.033e+07 0.00e+00 a 0 0 0 0 0 1375 2.000 30.727 4.180 1 T 3.022e+07 0.00e+00 a 0 0 0 0 0 1376 1.946 37.864 4.057 1 T 2.316e+07 0.00e+00 a 0 0 0 0 0 1381 4.476 58.132 3.057 1 T 3.233e+07 0.00e+00 a 0 0 0 0 0 1384 4.543 54.899 2.822 1 T 2.052e+07 0.00e+00 a 0 0 0 0 0 1386 1.946 37.864 1.291 1 T 1.131e+07 0.00e+00 a 0 0 0 0 0 1389 3.194 42.198 4.630 1 T 6.795e+06 0.00e+00 a 0 0 0 0 0 1394 3.009 42.198 4.630 1 T 9.289e+06 0.00e+00 a 0 0 0 0 0 1409 4.333 56.137 0.860 1 T 7.996e+06 0.00e+00 a 0 0 0 0 0 1416 4.333 56.137 4.932 1 T 4.711e+06 0.00e+00 a 0 0 0 0 0 1418 3.190 41.707 2.813 1 T 3.840e+07 0.00e+00 a 0 0 0 0 0 1419 2.813 41.707 3.189 1 T 3.958e+07 0.00e+00 a 0 0 0 0 0 1421 2.847 39.395 7.146 1 T 7.408e+06 0.00e+00 a 0 0 0 0 0 1422 4.186 61.049 2.059 1 T 2.801e+06 0.00e+00 a 0 0 0 0 0 1423 4.186 61.049 7.148 1 T 1.028e+07 0.00e+00 a 0 0 0 0 0 1424 4.250 57.155 4.579 1 T 1.011e+07 0.00e+00 a 0 0 0 0 0 1425 4.250 57.155 0.824 1 T 7.506e+06 0.00e+00 a 0 0 0 0 0 1430 4.561 54.474 8.417 1 T 1.711e+07 0.00e+00 a 0 0 0 0 0 1431 1.168 24.439 8.036 1 T 4.555e+06 0.00e+00 a 0 0 0 0 0 1436 2.176 32.074 7.760 1 T 6.798e+06 0.00e+00 a 0 0 0 0 0 1437 0.913 21.218 7.752 1 T 4.450e+06 0.00e+00 a 0 0 0 0 0 1438 3.865 64.190 7.755 1 T 5.967e+06 0.00e+00 a 0 0 0 0 0 1439 0.913 21.218 4.115 1 T 3.329e+06 0.00e+00 a 0 0 0 0 0 1440 1.027 21.581 4.393 1 T 6.522e+06 0.00e+00 a 0 0 0 0 0 1441 0.527 24.756 2.985 1 T 4.330e+06 0.00e+00 a 0 0 0 0 0 1442 0.527 24.756 2.840 1 T 4.269e+06 0.00e+00 a 0 0 0 0 0 1444 0.527 24.756 0.915 1 T 3.174e+06 0.00e+00 a 0 0 0 0 0 1446 0.409 23.778 7.120 1 T 3.241e+06 0.00e+00 a 0 0 0 0 0 1447 4.397 57.085 2.164 1 T 1.171e+07 0.00e+00 a 0 0 0 0 0 1448 4.397 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2.262 28.489 2.036 1 T 3.010e+07 0.00e+00 a 0 0 0 0 0 1488 4.348 65.427 4.621 1 T 2.301e+06 0.00e+00 a 0 0 0 0 0 1490 4.348 65.428 2.592 1 T 1.160e+07 0.00e+00 a 0 0 0 0 0 1493 2.280 30.531 1.894 1 T 2.345e+07 0.00e+00 a 0 0 0 0 0 1494 3.562 50.102 3.327 1 T 2.911e+07 0.00e+00 a 0 0 0 0 0 1495 3.562 50.102 2.593 1 T 1.625e+07 0.00e+00 a 0 0 0 0 0 1496 2.592 37.754 3.328 1 T 5.859e+06 0.00e+00 a 0 0 0 0 0 1497 2.592 37.754 3.563 1 T 1.157e+07 0.00e+00 a 0 0 0 0 0 1501 1.311 20.076 9.155 1 T 7.253e+06 0.00e+00 a 0 0 0 0 0 1502 1.311 20.076 7.125 1 T 4.993e+06 0.00e+00 a 0 0 0 0 0 1503 1.311 20.076 3.115 1 T 4.601e+06 0.00e+00 a 0 0 0 0 0 1506 1.311 20.076 2.131 1 T 6.988e+06 0.00e+00 a 0 0 0 0 0 1507 1.311 20.076 1.985 1 T 5.048e+06 0.00e+00 a 0 0 0 0 0 1508 1.311 20.076 1.014 1 T 3.008e+07 0.00e+00 a 0 0 0 0 0 1518 4.151 62.953 1.311 1 T 4.328e+07 0.00e+00 a 0 0 0 0 0 1519 4.151 62.953 2.869 1 T 1.053e+06 0.00e+00 a 0 0 0 0 0 1520 4.151 62.953 7.121 1 T 7.571e+06 0.00e+00 a 0 0 0 0 0 1524 4.182 58.924 9.094 1 T 4.750e+06 0.00e+00 a 0 0 0 0 0 1525 4.182 58.924 8.341 1 T 5.840e+06 0.00e+00 a 0 0 0 0 0 1526 2.252 37.199 2.441 1 T 1.086e+08 0.00e+00 a 0 0 0 0 0 1528 4.092 60.598 7.552 1 T 7.320e+06 0.00e+00 a 0 0 0 0 0 1530 4.003 50.195 4.902 1 T 9.308e+06 0.00e+00 a 0 0 0 0 0 1531 4.003 50.195 4.690 1 T 8.895e+06 0.00e+00 a 0 0 0 0 0 1532 3.961 50.195 4.900 1 T 1.015e+07 0.00e+00 a 0 0 0 0 0 1533 3.961 50.195 4.694 1 T 9.067e+06 0.00e+00 a 0 0 0 0 0 1534 4.003 50.195 2.262 1 T 8.726e+06 0.00e+00 a 0 0 0 0 0 1536 4.372 66.554 7.579 1 T 3.631e+06 0.00e+00 a 0 0 0 0 0 1537 4.372 66.554 7.124 1 T 8.219e+06 0.00e+00 a 0 0 0 0 0 1538 4.372 66.554 3.177 1 T 1.261e+07 0.00e+00 a 0 0 0 0 0 1539 4.372 66.554 1.960 1 T 1.847e+07 0.00e+00 a 0 0 0 0 0 1540 4.372 66.554 3.982 1 T 4.139e+06 0.00e+00 a 0 0 0 0 0 1544 1.462 21.929 4.001 1 T 8.454e+06 0.00e+00 a 0 0 0 0 0 1545 1.462 21.929 2.411 1 T 4.125e+06 0.00e+00 a 0 0 0 0 0 1546 4.901 68.320 4.012 1 T 8.916e+06 0.00e+00 a 0 0 0 0 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0 0 1575 3.894 64.658 7.001 1 T 7.600e+06 0.00e+00 a 0 0 0 0 0 1577 3.894 64.658 7.969 1 T 6.596e+06 0.00e+00 a 0 0 0 0 0 1580 2.574 32.983 1.756 1 T 9.208e+06 0.00e+00 a 0 0 0 0 0 1584 4.925 52.628 7.623 1 T 5.634e+06 0.00e+00 a 0 0 0 0 0 1586 4.925 52.628 1.478 1 T 5.074e+06 0.00e+00 a 0 0 0 0 0 1595 3.051 37.686 2.694 1 T 5.769e+07 0.00e+00 a 0 0 0 0 0 1601 2.689 37.686 3.147 1 T 2.838e+07 0.00e+00 a 0 0 0 0 0 1602 2.689 37.686 3.051 1 T 6.508e+07 0.00e+00 a 0 0 0 0 0 1604 4.489 56.166 8.858 1 T 4.577e+06 0.00e+00 a 0 0 0 0 0 1607 1.856 29.817 7.739 1 T 3.850e+06 0.00e+00 a 0 0 0 0 0 1609 0.865 23.716 4.347 1 T 4.643e+06 0.00e+00 a 0 0 0 0 0 1610 0.865 23.716 3.960 1 T 6.426e+06 0.00e+00 a 0 0 0 0 0 1611 0.865 23.716 3.434 1 T 1.786e+07 0.00e+00 a 0 0 0 0 0 1612 0.865 23.716 2.081 1 T 2.620e+07 0.00e+00 a 0 0 0 0 0 1613 0.865 23.716 1.515 1 T 3.531e+06 0.00e+00 a 0 0 0 0 0 1614 0.865 23.716 1.271 1 T 1.423e+07 0.00e+00 a 0 0 0 0 0 1615 0.865 23.716 1.113 1 T 1.655e+07 0.00e+00 a 0 0 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2.789e+06 0.00e+00 a 0 0 0 0 0 1773 3.013 42.250 4.095 1 T 2.437e+06 0.00e+00 a 0 0 0 0 0 1774 3.961 59.351 7.736 1 T 5.322e+06 0.00e+00 a 0 0 0 0 0 1775 1.897 27.741 7.796 1 T 4.869e+06 0.00e+00 a 0 0 0 0 0 1776 1.897 27.741 4.346 1 T 8.190e+06 0.00e+00 a 0 0 0 0 0 1777 1.896 27.741 3.332 1 T 1.227e+07 0.00e+00 a 0 0 0 0 0 1778 1.292 29.317 8.298 1 T 3.466e+06 0.00e+00 a 0 0 0 0 0 1779 1.292 29.317 4.057 1 T 5.362e+06 0.00e+00 a 0 0 0 0 0 1780 2.299 29.850 2.676 1 T 5.458e+06 0.00e+00 a 0 0 0 0 0 1781 2.299 29.850 1.958 1 T 1.360e+07 0.00e+00 a 0 0 0 0 0 1782 3.264 43.731 7.365 1 T 4.539e+06 0.00e+00 a 0 0 0 0 0 1783 1.837 28.324 3.968 1 T 4.145e+06 0.00e+00 a 0 0 0 0 0 1784 1.653 28.324 3.967 1 T 5.444e+06 0.00e+00 a 0 0 0 0 0 1785 3.264 43.731 3.971 1 T 2.842e+06 0.00e+00 a 0 0 0 0 0 1788 2.131 40.946 3.894 1 T 4.441e+06 0.00e+00 a 0 0 0 0 0 1789 1.015 25.498 4.918 1 T 5.177e+06 0.00e+00 a 0 0 0 0 0 1790 1.015 25.498 7.637 1 T 2.464e+06 0.00e+00 a 0 0 0 0 0 1791 0.865 23.716 8.831 1 T 1.872e+07 0.00e+00 a 0 0 0 0 0 1792 3.431 67.687 7.438 1 T 1.193e+07 0.00e+00 a 0 0 0 0 0 1793 3.431 67.687 8.130 1 T 5.053e+06 0.00e+00 a 0 0 0 0 0 1795 0.865 23.716 7.420 1 T 3.718e+06 0.00e+00 a 0 0 0 0 0 1796 0.865 23.716 8.317 1 T 4.544e+06 0.00e+00 a 0 0 0 0 0 1797 0.865 23.716 8.539 1 T 3.030e+06 0.00e+00 a 0 0 0 0 0 1798 3.431 67.687 4.666 1 T 4.497e+06 0.00e+00 a 0 0 0 0 0 1799 0.865 23.716 4.668 1 T 1.810e+06 0.00e+00 a 0 0 0 0 0 1801 5.028 54.533 8.581 1 T 1.961e+07 0.00e+00 a 0 0 0 0 0 1802 5.028 54.533 3.476 1 T 1.020e+07 0.00e+00 a 0 0 0 0 0 1803 5.028 54.533 1.121 1 T 1.434e+07 0.00e+00 a 0 0 0 0 0 1804 3.146 44.571 2.999 1 T 2.115e+07 0.00e+00 a 0 0 0 0 0 1806 2.574 32.983 0.999 1 T 7.592e+06 0.00e+00 a 0 0 0 0 0 1808 2.175 19.264 7.941 1 T 4.599e+06 0.00e+00 a 0 0 0 0 0 1809 2.175 19.264 8.301 1 T 2.212e+06 0.00e+00 a 0 0 0 0 0 1810 2.175 19.264 7.620 1 T 2.328e+06 0.00e+00 a 0 0 0 0 0 1819 3.984 49.717 3.601 1 T 1.888e+07 0.00e+00 a 0 0 0 0 0 1823 3.233 41.679 2.940 1 T 7.128e+07 0.00e+00 a 0 0 0 0 0 1824 2.937 41.679 3.239 1 T 5.732e+07 0.00e+00 a 0 0 0 0 0 1826 3.713 50.628 4.685 1 T 1.679e+07 0.00e+00 a 0 0 0 0 0 1827 3.622 50.628 4.688 1 T 1.635e+07 0.00e+00 a 0 0 0 0 0 1828 4.540 62.964 8.477 1 T 2.761e+07 0.00e+00 a 0 0 0 0 0 1837 1.748 34.372 4.663 1 T 2.338e+06 0.00e+00 a 0 0 0 0 0 1845 2.453 32.983 8.172 1 T 1.209e+06 0.00e+00 a 0 0 0 0 0 1846 2.574 32.983 2.173 1 T 4.190e+06 0.00e+00 a 0 0 0 0 0 1847 2.574 32.983 4.664 1 T 4.483e+06 0.00e+00 a 0 0 0 0 0 1848 2.574 32.983 7.620 1 T 3.215e+06 0.00e+00 a 0 0 0 0 0 1861 1.311 20.076 7.896 1 T 4.116e+06 0.00e+00 a 0 0 0 0 0 1864 4.679 53.273 3.630 1 T 3.574e+06 0.00e+00 a 0 0 0 0 0 1866 1.913 32.641 8.476 1 T 6.455e+06 0.00e+00 a 0 0 0 0 0 1867 2.024 32.641 3.611 1 T 5.045e+06 0.00e+00 a 0 0 0 0 0 1868 1.913 32.641 3.611 1 T 7.197e+06 0.00e+00 a 0 0 0 0 0 1869 2.024 32.641 2.541 1 T 1.092e+07 0.00e+00 a 0 0 0 0 0 1870 2.024 32.641 8.487 1 T 4.349e+06 0.00e+00 a 0 0 0 0 0 1871 1.913 32.641 2.571 1 T 1.558e+07 0.00e+00 a 0 0 0 0 0 1872 1.913 32.641 4.666 1 T 4.022e+06 0.00e+00 a 0 0 0 0 0 1874 2.024 32.641 4.678 1 T 5.436e+06 0.00e+00 a 0 0 0 0 0 1875 2.586 32.266 1.908 1 T 1.417e+07 0.00e+00 a 0 0 0 0 0 1876 2.586 32.266 2.040 1 T 1.296e+07 0.00e+00 a 0 0 0 0 0 1877 2.586 32.266 4.682 1 T 3.554e+06 0.00e+00 a 0 0 0 0 0 1878 2.586 32.266 8.460 1 T 3.375e+06 0.00e+00 a 0 0 0 0 0 1879 2.512 32.266 8.479 1 T 2.126e+06 0.00e+00 a 0 0 0 0 0 1880 2.512 32.266 4.669 1 T 2.442e+06 0.00e+00 a 0 0 0 0 0 1881 2.512 32.266 1.891 1 T 1.160e+07 0.00e+00 a 0 0 0 0 0 1882 2.512 32.266 2.018 1 T 1.053e+07 0.00e+00 a 0 0 0 0 0 1891 2.574 32.983 8.162 1 T 1.870e+06 0.00e+00 a 0 0 0 0 0 1892 2.453 32.983 7.618 1 T 2.797e+06 0.00e+00 a 0 0 0 0 0 1893 2.453 32.983 6.890 1 T 1.317e+06 0.00e+00 a 0 0 0 0 0 1894 2.453 32.983 4.662 1 T 3.137e+06 0.00e+00 a 0 0 0 0 0 1895 2.453 32.983 2.173 1 T 1.243e+06 0.00e+00 a 0 0 0 0 0 1896 2.453 32.983 1.755 1 T 6.549e+06 0.00e+00 a 0 0 0 0 0 1905 1.748 34.372 7.619 1 T 4.698e+06 0.00e+00 a 0 0 0 0 0 1906 1.748 34.372 2.568 1 T 1.617e+07 0.00e+00 a 0 0 0 0 0 1911 1.957 32.100 7.488 1 T 4.416e+06 0.00e+00 a 0 0 0 0 0 1914 2.341 32.100 1.272 1 T 4.542e+06 0.00e+00 a 0 0 0 0 0 1915 2.341 32.100 1.750 1 T 4.752e+06 0.00e+00 a 0 0 0 0 0 1920 3.123 40.122 2.956 1 T 4.077e+07 0.00e+00 a 0 0 0 0 0 1921 2.957 40.122 3.124 1 T 3.538e+07 0.00e+00 a 0 0 0 0 0 1922 2.983 39.395 7.146 1 T 1.075e+07 0.00e+00 a 0 0 0 0 0 1924 2.201 36.436 0.879 1 T 4.704e+06 0.00e+00 a 0 0 0 0 0 1925 2.719 38.963 8.417 1 T 4.415e+06 0.00e+00 a 0 0 0 0 0 1926 2.542 40.869 2.813 1 T 5.000e+07 0.00e+00 a 0 0 0 0 0 1928 1.168 24.439 2.901 1 T 6.048e+06 0.00e+00 a 0 0 0 0 0 1932 2.379 36.222 0.914 1 T 2.958e+06 0.00e+00 a 0 0 0 0 0 1933 1.990 30.190 1.166 1 T 3.811e+06 0.00e+00 a 0 0 0 0 0 1935 1.027 21.581 1.994 1 T 2.334e+06 0.00e+00 a 0 0 0 0 0 1936 1.027 21.581 1.716 1 T 9.082e+05 0.00e+00 a 0 0 0 0 0 1937 1.027 21.581 7.967 1 T 1.531e+06 0.00e+00 a 0 0 0 0 0 1938 2.176 32.074 4.396 1 T 5.494e+06 0.00e+00 a 0 0 0 0 0 1939 1.510 42.103 4.132 1 T 5.155e+06 0.00e+00 a 0 0 0 0 0 1940 1.510 42.103 3.595 1 T 5.568e+06 0.00e+00 a 0 0 0 0 0 1943 1.510 42.103 0.532 1 T 6.933e+06 0.00e+00 a 0 0 0 0 0 1944 1.510 42.103 0.411 1 T 7.568e+06 0.00e+00 a 0 0 0 0 0 1946 3.602 57.224 2.822 1 T 5.019e+06 0.00e+00 a 0 0 0 0 0 1947 3.602 57.224 7.119 1 T 3.046e+06 0.00e+00 a 0 0 0 0 0 1948 3.602 57.224 7.597 1 T 3.238e+06 0.00e+00 a 0 0 0 0 0 1949 1.427 26.658 7.105 1 T 2.639e+06 0.00e+00 a 0 0 0 0 0 1950 0.527 24.756 4.132 1 T 3.058e+06 0.00e+00 a 0 0 0 0 0 1951 0.527 24.756 3.149 1 T 2.396e+06 0.00e+00 a 0 0 0 0 0 1952 0.527 24.756 2.169 1 T 3.727e+06 0.00e+00 a 0 0 0 0 0 1956 0.409 23.778 2.983 1 T 3.727e+06 0.00e+00 a 0 0 0 0 0 1958 4.248 60.736 7.909 1 T 1.643e+07 0.00e+00 a 0 0 0 0 0 1959 4.248 60.736 7.118 1 T 1.058e+07 0.00e+00 a 0 0 0 0 0 1960 4.248 60.736 3.226 1 T 2.326e+07 0.00e+00 a 0 0 0 0 0 1961 3.308 39.032 7.121 1 T 7.933e+06 0.00e+00 a 0 0 0 0 0 1962 3.308 39.032 4.248 1 T 1.021e+07 0.00e+00 a 0 0 0 0 0 1963 3.308 39.032 7.926 1 T 1.581e+07 0.00e+00 a 0 0 0 0 0 1965 3.228 39.032 7.927 1 T 1.637e+07 0.00e+00 a 0 0 0 0 0 1966 3.228 39.032 4.246 1 T 1.038e+07 0.00e+00 a 0 0 0 0 0 1967 3.228 39.032 7.121 1 T 9.906e+06 0.00e+00 a 0 0 0 0 0 1969 3.308 39.032 4.370 1 T 5.915e+06 0.00e+00 a 0 0 0 0 0 1970 3.228 39.032 4.370 1 T 6.446e+06 0.00e+00 a 0 0 0 0 0 1972 1.944 40.917 1.716 1 T 3.115e+07 0.00e+00 a 0 0 0 0 0 1975 4.348 65.428 7.917 1 T 8.608e+06 0.00e+00 a 0 0 0 0 0 1976 4.096 56.168 1.556 1 T 2.205e+07 0.00e+00 a 0 0 0 0 0 1977 4.096 56.168 1.013 1 T 2.771e+07 0.00e+00 a 0 0 0 0 0 1979 3.201 37.990 4.151 1 T 7.224e+06 0.00e+00 a 0 0 0 0 0 1980 3.125 37.986 4.158 1 T 5.871e+06 0.00e+00 a 0 0 0 0 0 1981 3.201 37.990 7.569 1 T 6.285e+06 0.00e+00 a 0 0 0 0 0 1982 4.092 60.598 8.343 1 T 4.021e+06 0.00e+00 a 0 0 0 0 0 1983 4.092 60.598 7.820 1 T 4.206e+06 0.00e+00 a 0 0 0 0 0 1985 2.437 37.199 2.251 1 T 1.117e+08 0.00e+00 a 0 0 0 0 0 1986 2.050 28.911 7.814 1 T 4.929e+06 0.00e+00 a 0 0 0 0 0 1987 1.961 28.911 7.823 1 T 4.513e+06 0.00e+00 a 0 0 0 0 0 1988 1.462 21.929 5.789 1 T 3.620e+06 0.00e+00 a 0 0 0 0 0 1989 2.285 40.838 2.868 1 T 1.202e+07 0.00e+00 a 0 0 0 0 0 1990 1.120 17.291 5.023 1 T 7.903e+06 0.00e+00 a 0 0 0 0 0 1992 1.120 17.291 3.675 1 T 1.344e+07 0.00e+00 a 0 0 0 0 0 1993 1.120 17.291 3.485 1 T 2.144e+07 0.00e+00 a 0 0 0 0 0 1994 1.120 17.291 2.566 1 T 4.841e+06 0.00e+00 a 0 0 0 0 0 1995 1.120 17.291 1.983 1 T 3.382e+06 0.00e+00 a 0 0 0 0 0 1996 1.120 17.291 2.129 1 T 5.006e+06 0.00e+00 a 0 0 0 0 0 1997 1.120 17.291 1.505 1 T 6.747e+06 0.00e+00 a 0 0 0 0 0 1998 1.120 17.291 0.833 1 T 3.456e+07 0.00e+00 a 0 0 0 0 0 1999 1.120 17.291 8.581 1 T 3.143e+06 0.00e+00 a 0 0 0 0 0 2000 1.120 17.291 6.992 1 T 2.696e+06 0.00e+00 a 0 0 0 0 0 2001 2.566 42.088 6.997 1 T 4.661e+06 0.00e+00 a 0 0 0 0 0 2003 2.066 26.364 3.986 1 T 6.060e+06 0.00e+00 a 0 0 0 0 0 2004 1.946 26.364 3.983 1 T 5.131e+06 0.00e+00 a 0 0 0 0 0 2005 1.946 26.364 3.602 1 T 4.923e+06 0.00e+00 a 0 0 0 0 0 2006 2.211 32.829 3.602 1 T 4.613e+06 0.00e+00 a 0 0 0 0 0 2007 2.211 32.829 8.034 1 T 3.411e+06 0.00e+00 a 0 0 0 0 0 2008 2.092 32.829 8.034 1 T 5.614e+06 0.00e+00 a 0 0 0 0 0 2009 2.092 32.829 3.594 1 T 4.021e+06 0.00e+00 a 0 0 0 0 0 2010 2.211 32.829 1.948 1 T 2.632e+07 0.00e+00 a 0 0 0 0 0 2016 3.146 44.571 8.586 1 T 3.809e+06 0.00e+00 a 0 0 0 0 0 2017 2.997 44.571 8.580 1 T 3.763e+06 0.00e+00 a 0 0 0 0 0 2018 3.146 44.571 4.670 1 T 4.076e+06 0.00e+00 a 0 0 0 0 0 2019 2.997 44.571 4.670 1 T 4.032e+06 0.00e+00 a 0 0 0 0 0 2020 2.320 40.245 4.492 1 T 6.429e+06 0.00e+00 a 0 0 0 0 0 2021 2.320 40.245 7.730 1 T 6.028e+06 0.00e+00 a 0 0 0 0 0 2022 2.320 40.245 6.449 1 T 5.219e+06 0.00e+00 a 0 0 0 0 0 2023 2.320 40.245 6.256 1 T 3.823e+06 0.00e+00 a 0 0 0 0 0 2024 2.254 40.245 7.733 1 T 4.350e+06 0.00e+00 a 0 0 0 0 0 2025 2.254 40.245 4.490 1 T 4.886e+06 0.00e+00 a 0 0 0 0 0 2026 2.254 40.245 6.461 1 T 4.228e+06 0.00e+00 a 0 0 0 0 0 2027 2.254 40.245 6.240 1 T 2.301e+06 0.00e+00 a 0 0 0 0 0 2028 3.892 58.505 8.847 1 T 6.936e+06 0.00e+00 a 0 0 0 0 0 2030 3.892 58.505 7.758 1 T 3.183e+06 0.00e+00 a 0 0 0 0 0 2031 3.892 58.505 6.464 1 T 4.366e+06 0.00e+00 a 0 0 0 0 0 2033 4.019 62.293 4.930 1 T 3.267e+06 0.00e+00 a 0 0 0 0 0 2035 4.326 67.038 2.191 1 T 8.021e+06 0.00e+00 a 0 0 0 0 0 2036 4.350 69.021 8.022 1 T 1.088e+07 0.00e+00 a 0 0 0 0 0 2039 4.350 69.021 8.296 1 T 1.010e+07 0.00e+00 a 0 0 0 0 0 2042 4.350 69.021 1.262 1 T 2.413e+07 0.00e+00 a 0 0 0 0 0 2045 1.264 21.266 2.299 1 T 6.529e+06 0.00e+00 a 0 0 0 0 0 2046 1.264 21.266 2.023 1 T 7.755e+06 0.00e+00 a 0 0 0 0 0 2047 1.264 21.266 1.957 1 T 9.922e+06 0.00e+00 a 0 0 0 0 0 2051 3.912 59.813 3.150 1 T 7.039e+06 0.00e+00 a 0 0 0 0 0 2052 3.912 59.813 2.998 1 T 9.570e+06 0.00e+00 a 0 0 0 0 0 2053 3.912 59.813 8.321 1 T 8.408e+06 0.00e+00 a 0 0 0 0 0 2056 3.912 59.813 0.984 1 T 7.175e+06 0.00e+00 a 0 0 0 0 0 2061 1.958 29.850 0.971 1 T 6.341e+06 0.00e+00 a 0 0 0 0 0 2062 4.057 64.318 2.298 1 T 7.212e+06 0.00e+00 a 0 0 0 0 0 2063 4.057 64.318 1.692 1 T 8.094e+06 0.00e+00 a 0 0 0 0 0 2065 1.946 37.864 1.693 1 T 1.267e+07 0.00e+00 a 0 0 0 0 0 2067 1.292 29.317 1.941 1 T 4.457e+06 0.00e+00 a 0 0 0 0 0 2068 1.292 29.317 1.693 1 T 2.937e+07 0.00e+00 a 0 0 0 0 0 2069 1.011 17.702 1.693 1 T 8.030e+06 0.00e+00 a 0 0 0 0 0 2071 1.011 17.702 2.060 1 T 5.350e+06 0.00e+00 a 0 0 0 0 0 2072 4.078 59.265 8.297 1 T 6.601e+06 0.00e+00 a 0 0 0 0 0 2074 4.078 59.265 3.680 1 T 5.440e+06 0.00e+00 a 0 0 0 0 0 2075 4.078 59.265 3.440 1 T 8.850e+06 0.00e+00 a 0 0 0 0 0 2083 3.941 65.669 7.844 1 T 9.833e+06 0.00e+00 a 0 0 0 0 0 2085 3.941 65.669 1.240 1 T 2.130e+07 0.00e+00 a 0 0 0 0 0 2086 3.941 65.669 4.117 1 T 2.683e+07 0.00e+00 a 0 0 0 0 0 2091 4.116 68.860 3.945 1 T 2.744e+07 0.00e+00 a 0 0 0 0 0 2092 4.116 68.860 7.993 1 T 1.160e+07 0.00e+00 a 0 0 0 0 0 2093 4.116 68.860 7.843 1 T 1.592e+07 0.00e+00 a 0 0 0 0 0 2095 4.361 58.845 8.431 1 T 2.229e+07 0.00e+00 a 0 0 0 0 0 2096 4.361 58.845 4.092 1 T 9.384e+05 0.00e+00 a 0 0 0 0 0 2117 4.652 62.544 2.211 1 T 1.163e+07 0.00e+00 a 0 0 0 0 0 2118 4.652 62.544 1.946 1 T 6.430e+06 0.00e+00 a 0 0 0 0 0 2120 4.663 55.525 8.166 1 T 4.817e+06 0.00e+00 a 0 0 0 0 0 2126 4.147 63.273 1.138 1 T 2.589e+07 0.00e+00 a 0 0 0 0 0 2127 4.147 63.273 8.217 1 T 1.216e+07 0.00e+00 a 0 0 0 0 0 2128 4.147 63.273 8.040 1 T 9.230e+06 0.00e+00 a 0 0 0 0 0 2136 4.783 54.148 8.314 1 T 3.212e+06 0.00e+00 a 0 0 0 0 0 2138 3.123 40.122 8.312 1 T 5.875e+06 0.00e+00 a 0 0 0 0 0 2139 2.957 40.122 8.325 1 T 7.301e+06 0.00e+00 a 0 0 0 0 0 2141 4.679 53.273 8.444 1 T 7.566e+06 0.00e+00 a 0 0 0 0 0 2143 4.679 53.273 2.096 1 T 4.152e+06 0.00e+00 a 0 0 0 0 0 2145 4.629 55.293 8.084 1 T 1.316e+07 0.00e+00 a 0 0 0 0 0 2146 2.452 32.983 0.999 1 T 5.484e+06 0.00e+00 a 0 0 0 0 0 2147 3.308 39.032 1.507 1 T 3.199e+06 0.00e+00 a 0 0 0 0 0 2148 3.228 39.032 1.504 1 T 2.605e+06 0.00e+00 a 0 0 0 0 0 2149 4.191 69.350 8.033 1 T 6.504e+06 0.00e+00 a 0 0 0 0 0 2150 4.191 69.350 8.216 1 T 5.143e+06 0.00e+00 a 0 0 0 0 0 2151 4.147 63.273 0.855 1 T 5.637e+06 0.00e+00 a 0 0 0 0 0 2152 4.147 63.273 1.924 1 T 6.200e+06 0.00e+00 a 0 0 0 0 0 2155 2.854 41.183 4.279 1 T 6.530e+06 0.00e+00 a 0 0 0 0 0 2164 4.116 68.860 0.938 1 T 3.061e+06 0.00e+00 a 0 0 0 0 0 2165 3.941 65.669 0.934 1 T 5.669e+06 0.00e+00 a 0 0 0 0 0 2167 4.116 68.860 1.241 1 T 3.563e+07 0.00e+00 a 0 0 0 0 0 2168 1.365 18.180 4.285 1 T 7.093e+06 0.00e+00 a 0 0 0 0 0 2169 4.057 54.968 1.245 1 T 6.324e+06 0.00e+00 a 0 0 0 0 0 2170 4.057 54.968 0.931 1 T 1.285e+07 0.00e+00 a 0 0 0 0 0 2171 1.365 18.180 1.006 1 T 6.293e+06 0.00e+00 a 0 0 0 0 0 2172 1.365 18.180 1.944 1 T 1.197e+06 0.00e+00 a 0 0 0 0 0 2173 1.365 18.180 3.855 1 T 6.561e+06 0.00e+00 a 0 0 0 0 0 2177 1.365 18.180 8.259 1 T 1.959e+06 0.00e+00 a 0 0 0 0 0 2178 4.057 54.968 8.296 1 T 5.526e+06 0.00e+00 a 0 0 0 0 0 2179 1.365 18.180 8.298 1 T 1.578e+06 0.00e+00 a 0 0 0 0 0 2180 1.365 18.180 7.843 1 T 4.298e+06 0.00e+00 a 0 0 0 0 0 2181 1.365 18.180 7.909 1 T 1.515e+07 0.00e+00 a 0 0 0 0 0 2183 4.057 54.968 8.258 1 T 6.649e+06 0.00e+00 a 0 0 0 0 0 2184 3.327 40.242 2.854 1 T 2.979e+06 0.00e+00 a 0 0 0 0 0 2186 4.279 59.736 8.436 1 T 5.478e+06 0.00e+00 a 0 0 0 0 0 2188 4.279 59.736 1.358 1 T 5.257e+06 0.00e+00 a 0 0 0 0 0 2189 3.327 40.242 1.365 1 T 2.327e+06 0.00e+00 a 0 0 0 0 0 2195 3.203 42.932 0.932 1 T 6.018e+06 0.00e+00 a 0 0 0 0 0 2197 1.777 27.215 4.082 1 T 3.901e+06 0.00e+00 a 0 0 0 0 0 2198 1.694 27.215 4.082 1 T 3.523e+06 0.00e+00 a 0 0 0 0 0 2199 1.777 27.215 8.429 1 T 3.069e+06 0.00e+00 a 0 0 0 0 0 2200 1.694 27.215 8.430 1 T 2.396e+06 0.00e+00 a 0 0 0 0 0 2202 4.057 64.318 8.842 1 T 4.057e+06 0.00e+00 a 0 0 0 0 0 2206 1.011 17.702 2.295 1 T 3.985e+06 0.00e+00 a 0 0 0 0 0 2209 1.011 17.710 4.236 1 T 3.570e+06 0.00e+00 a 0 0 0 0 0 2210 1.011 17.702 4.454 1 T 3.273e+06 0.00e+00 a 0 0 0 0 0 2212 1.011 17.702 3.606 1 T 3.827e+06 0.00e+00 a 0 0 0 0 0 2223 4.453 57.910 1.011 1 T 6.380e+06 0.00e+00 a 0 0 0 0 0 2228 4.078 59.265 8.228 1 T 6.697e+06 0.00e+00 a 0 0 0 0 0 2230 3.203 42.932 3.012 1 T 7.224e+07 0.00e+00 a 0 0 0 0 0 2232 3.013 42.250 1.534 1 T 4.944e+06 0.00e+00 a 0 0 0 0 0 2234 4.057 64.318 1.780 1 T 3.760e+06 0.00e+00 a 0 0 0 0 0 2237 4.476 58.132 8.226 1 T 3.537e+07 0.00e+00 a 0 0 0 0 0 2238 2.854 41.183 8.253 1 T 1.307e+07 0.00e+00 a 0 0 0 0 0 2241 4.237 59.276 8.843 1 T 3.661e+06 0.00e+00 a 0 0 0 0 0 2242 3.439 42.715 4.087 1 T 3.193e+06 0.00e+00 a 0 0 0 0 0 2243 2.299 29.850 2.190 1 T 8.313e+06 0.00e+00 a 0 0 0 0 0 2244 1.958 29.850 2.298 1 T 3.835e+07 0.00e+00 a 0 0 0 0 0 2245 2.299 29.850 3.914 1 T 3.000e+06 0.00e+00 a 0 0 0 0 0 2251 1.958 29.850 8.304 1 T 8.490e+06 0.00e+00 a 0 0 0 0 0 2252 1.958 29.850 1.272 1 T 3.024e+06 0.00e+00 a 0 0 0 0 0 2256 1.264 21.266 8.307 1 T 3.981e+06 0.00e+00 a 0 0 0 0 0 2257 1.264 21.266 8.026 1 T 4.701e+06 0.00e+00 a 0 0 0 0 0 2258 1.264 21.266 4.335 1 T 3.393e+07 0.00e+00 a 0 0 0 0 0 2259 1.264 21.266 2.571 1 T 2.475e+06 0.00e+00 a 0 0 0 0 0 2260 1.264 21.266 2.082 1 T 6.892e+06 0.00e+00 a 0 0 0 0 0 2261 1.264 21.266 1.708 1 T 4.784e+06 0.00e+00 a 0 0 0 0 0 2262 1.264 21.266 3.611 1 T 3.087e+06 0.00e+00 a 0 0 0 0 0 2265 4.326 67.038 8.028 1 T 4.426e+06 0.00e+00 a 0 0 0 0 0 2266 4.326 67.038 2.022 1 T 5.382e+06 0.00e+00 a 0 0 0 0 0 2267 4.326 67.038 1.959 1 T 7.447e+06 0.00e+00 a 0 0 0 0 0 2268 4.326 67.038 0.932 1 T 2.767e+06 0.00e+00 a 0 0 0 0 0 2272 3.912 59.813 6.503 1 T 2.575e+06 0.00e+00 a 0 0 0 0 0 2275 3.912 59.813 8.557 1 T 3.514e+06 0.00e+00 a 0 0 0 0 0 2276 2.201 36.658 2.666 1 T 2.302e+07 0.00e+00 a 0 0 0 0 0 2277 2.666 36.658 2.203 1 T 2.377e+07 0.00e+00 a 0 0 0 0 0 2278 2.666 36.658 3.898 1 T 4.523e+06 0.00e+00 a 0 0 0 0 0 2279 2.666 36.658 1.971 1 T 5.104e+06 0.00e+00 a 0 0 0 0 0 2280 2.666 36.658 0.990 1 T 3.020e+06 0.00e+00 a 0 0 0 0 0 2281 2.666 36.658 8.820 1 T 6.200e+06 0.00e+00 a 0 0 0 0 0 2282 2.201 36.658 8.832 1 T 3.050e+06 0.00e+00 a 0 0 0 0 0 2283 2.201 36.658 3.892 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1 T 1.263e+07 0.00e+00 a 0 0 0 0 0 2707 4.371 61.774 3.930 1 T 3.838e+06 0.00e+00 a 0 0 0 0 0 2708 4.371 61.774 3.983 1 T 3.515e+06 0.00e+00 a 0 0 0 0 0 2709 1.173 21.609 4.407 1 T 1.641e+07 0.00e+00 a 0 0 0 0 0 2710 1.173 21.609 4.255 1 T 3.427e+07 0.00e+00 a 0 0 0 0 0 2711 3.984 45.418 8.221 1 T 4.041e+06 0.00e+00 a 0 0 0 0 0 2712 3.931 45.418 8.221 1 T 4.851e+06 0.00e+00 a 0 0 0 0 0 2713 3.984 45.418 2.730 1 T 2.851e+05 0.00e+00 a 0 0 0 0 0 2714 4.641 54.426 8.396 1 T 8.848e+06 0.00e+00 a 0 0 0 0 0 2718 2.628 41.329 4.360 1 T 1.737e+07 0.00e+00 a 0 0 0 0 0 2724 4.476 58.132 8.079 1 T 5.002e+06 0.00e+00 a 0 0 0 0 0 2725 4.476 58.132 2.742 1 T 1.259e+07 0.00e+00 a 0 0 0 0 0 2728 4.599 54.338 8.037 1 T 1.584e+07 0.00e+00 a 0 0 0 0 0 2733 2.655 41.321 4.483 1 T 6.582e+06 0.00e+00 a 0 0 0 0 0 2734 2.655 41.321 8.037 1 T 4.742e+06 0.00e+00 a 0 0 0 0 0 2736 1.015 25.498 4.095 1 T 1.203e+07 0.00e+00 a 0 0 0 0 0 2743 4.147 63.273 4.594 1 T 4.526e+06 0.00e+00 a 0 0 0 0 0 2744 1.140 21.658 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2.836 42.774 1.313 1 T 4.918e+06 0.00e+00 a 0 0 0 0 0 2826 1.305 25.843 8.582 1 T 2.829e+06 0.00e+00 a 0 0 0 0 0 2827 1.305 25.843 5.176 1 T 2.655e+06 0.00e+00 a 0 0 0 0 0 2828 1.305 25.843 0.986 1 T 1.294e+07 0.00e+00 a 0 0 0 0 0 2829 1.305 25.843 1.506 1 T 5.800e+06 0.00e+00 a 0 0 0 0 0 2830 0.986 25.843 6.987 1 T 3.307e+06 0.00e+00 a 0 0 0 0 0 2831 1.305 25.843 7.019 1 T 5.692e+06 0.00e+00 a 0 0 0 0 0 2832 1.305 25.843 1.751 1 T 4.182e+06 0.00e+00 a 0 0 0 0 0 2833 1.305 25.843 2.838 1 T 3.863e+06 0.00e+00 a 0 0 0 0 0 2834 1.305 25.843 2.567 1 T 3.348e+06 0.00e+00 a 0 0 0 0 0 2835 3.203 42.932 1.978 1 T 1.484e+07 0.00e+00 a 0 0 0 0 0 2840 4.453 57.910 1.240 1 T 3.925e+06 0.00e+00 a 0 0 0 0 0 2842 3.912 59.813 0.527 1 T 1.212e+07 0.00e+00 a 0 0 0 0 0 2845 3.912 59.813 0.409 1 T 1.071e+07 0.00e+00 a 0 0 0 0 0 2874 3.230 41.176 8.123 1 T 2.975e+06 0.00e+00 a 0 0 0 0 0 2876 1.943 40.946 4.332 1 T 3.733e+06 0.00e+00 a 0 0 0 0 0 2878 1.985 30.492 4.174 1 T 3.033e+07 0.00e+00 a 0 0 0 0 0 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0 0 2963 2.113 18.278 6.889 1 T 4.402e+06 0.00e+00 a 0 0 0 0 0 2965 2.113 18.278 7.971 1 T 2.751e+06 0.00e+00 a 0 0 0 0 0 2966 2.068 17.235 2.510 1 T 1.024e+07 0.00e+00 a 0 0 0 0 0 2967 2.068 17.235 4.677 1 T 2.362e+06 0.00e+00 a 0 0 0 0 0 2968 2.068 17.235 3.943 1 T 3.241e+06 0.00e+00 a 0 0 0 0 0 2969 2.068 17.235 3.624 1 T 3.807e+06 0.00e+00 a 0 0 0 0 0 2970 2.068 17.235 3.009 1 T 4.345e+06 0.00e+00 a 0 0 0 0 0 2971 2.068 17.235 2.810 1 T 5.687e+06 0.00e+00 a 0 0 0 0 0 2972 2.068 17.235 4.389 1 T 2.767e+06 0.00e+00 a 0 0 0 0 0 2974 4.147 63.273 0.935 1 T 5.857e+06 0.00e+00 a 0 0 0 0 0 2975 3.941 65.669 1.988 1 T 9.665e+06 0.00e+00 a 0 0 0 0 0 2976 2.736 41.183 8.229 1 T 2.640e+07 0.00e+00 a 0 0 0 0 0 2982 4.348 65.428 1.898 1 T 1.941e+07 0.00e+00 a 0 0 0 0 0 2983 2.943 39.726 7.104 1 T 9.565e+06 0.00e+00 a 0 0 0 0 0 2984 2.655 41.321 8.217 1 T 1.153e+07 0.00e+00 a 0 0 0 0 0 2985 2.742 41.321 4.594 1 T 1.167e+07 0.00e+00 a 0 0 0 0 0 2986 3.956 64.006 7.847 1 T 8.239e+06 0.00e+00 a 0 0 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0.00e+00 a 0 0 0 0 0 3080 0.856 13.459 4.339 1 T 1.804e+06 0.00e+00 a 0 0 0 0 0 3081 0.934 17.358 4.334 1 T 1.589e+06 0.00e+00 a 0 0 0 0 0 3082 1.248 28.691 4.339 1 T 2.027e+06 0.00e+00 a 0 0 0 0 0 3083 1.248 28.691 3.196 1 T 1.260e+06 0.00e+00 a 0 0 0 0 0 3084 1.555 28.691 3.185 1 T 1.426e+06 0.00e+00 a 0 0 0 0 0 3085 0.934 17.358 2.815 1 T 1.527e+06 0.00e+00 a 0 0 0 0 0 3086 0.856 13.459 2.820 1 T 1.769e+06 0.00e+00 a 0 0 0 0 0 3087 3.190 41.707 0.957 1 T 3.739e+06 0.00e+00 a 0 0 0 0 0 3088 3.190 41.707 1.909 1 T 2.806e+06 0.00e+00 a 0 0 0 0 0 3089 3.190 41.707 3.960 1 T 3.539e+06 0.00e+00 a 0 0 0 0 0 3090 3.190 41.707 4.341 1 T 2.469e+06 0.00e+00 a 0 0 0 0 0 3091 2.813 41.707 0.938 1 T 3.982e+06 0.00e+00 a 0 0 0 0 0 3092 2.813 41.707 3.987 1 T 1.961e+06 0.00e+00 a 0 0 0 0 0 3093 2.187 36.209 0.932 1 T 4.628e+06 0.00e+00 a 0 0 0 0 0 3094 4.540 62.964 3.013 1 T 2.572e+06 0.00e+00 a 0 0 0 0 0 3095 4.540 62.964 3.632 1 T 3.783e+06 0.00e+00 a 0 0 0 0 0 3096 4.540 62.964 3.717 1 T 3.727e+06 0.00e+00 a 0 0 0 0 0 3097 4.540 62.964 4.325 1 T 5.382e+06 0.00e+00 a 0 0 0 0 0 3098 3.713 50.628 2.229 1 T 4.323e+06 0.00e+00 a 0 0 0 0 0 3099 3.622 50.628 2.236 1 T 4.388e+06 0.00e+00 a 0 0 0 0 0 3100 2.229 32.120 3.618 1 T 4.265e+06 0.00e+00 a 0 0 0 0 0 3101 2.229 32.120 3.712 1 T 3.219e+06 0.00e+00 a 0 0 0 0 0 3102 2.006 27.305 4.539 1 T 3.075e+06 0.00e+00 a 0 0 0 0 0 3103 1.928 27.305 4.539 1 T 4.076e+06 0.00e+00 a 0 0 0 0 0 3104 1.923 32.120 3.940 1 T 5.910e+06 0.00e+00 a 0 0 0 0 0 3107 4.395 59.528 3.850 1 T 2.931e+06 0.00e+00 a 0 0 0 0 0 3108 4.395 59.528 4.137 1 T 5.737e+06 0.00e+00 a 0 0 0 0 0 3109 3.945 63.623 6.806 1 T 2.501e+06 0.00e+00 a 0 0 0 0 0 3110 3.945 63.623 7.077 1 T 1.378e+06 0.00e+00 a 0 0 0 0 0 3111 3.945 63.623 8.210 1 T 4.897e+06 0.00e+00 a 0 0 0 0 0 3112 3.848 63.623 8.222 1 T 4.000e+06 0.00e+00 a 0 0 0 0 0 3113 3.848 63.623 1.356 1 T 4.248e+06 0.00e+00 a 0 0 0 0 0 3114 3.945 63.623 1.369 1 T 4.397e+06 0.00e+00 a 0 0 0 0 0 3116 5.178 57.308 0.976 1 T 4.275e+06 0.00e+00 a 0 0 0 0 0 3117 5.178 57.308 1.305 1 T 5.217e+06 0.00e+00 a 0 0 0 0 0 3118 3.012 38.362 7.913 1 T 3.182e+06 0.00e+00 a 0 0 0 0 0 3119 3.327 40.242 6.788 1 T 1.670e+06 0.00e+00 a 0 0 0 0 0 3120 4.279 59.736 6.797 1 T 2.172e+06 0.00e+00 a 0 0 0 0 0 3121 3.622 50.628 7.098 1 T 5.055e+05 0.00e+00 a 0 0 0 0 0 3122 3.713 50.628 7.094 1 T 6.163e+05 0.00e+00 a 0 0 0 0 0 3124 3.562 50.102 9.172 1 T 4.096e+06 0.00e+00 a 0 0 0 0 0 3125 3.328 50.102 9.160 1 T 3.844e+06 0.00e+00 a 0 0 0 0 0 3126 0.982 25.697 1.749 1 T 4.469e+06 0.00e+00 a 0 0 0 0 0 3127 1.015 25.498 1.734 1 T 9.188e+06 0.00e+00 a 0 0 0 0 0 3128 1.015 25.498 6.493 1 T 3.182e+06 0.00e+00 a 0 0 0 0 0 3130 0.982 25.697 6.480 1 T 2.769e+06 0.00e+00 a 0 0 0 0 0 3131 3.984 49.717 4.241 1 T 8.175e+06 0.00e+00 a 0 0 0 0 0 3132 4.241 62.451 7.006 1 T 2.856e+06 0.00e+00 a 0 0 0 0 0 3133 4.241 62.451 5.173 1 T 2.176e+06 0.00e+00 a 0 0 0 0 0 3134 0.873 21.576 8.357 1 T 5.593e+06 0.00e+00 a 0 0 0 0 0 3135 4.014 62.469 8.360 1 T 3.187e+07 0.00e+00 a 0 0 0 0 0 3136 0.823 20.563 8.360 1 T 1.419e+07 0.00e+00 a 0 0 0 0 0 3137 1.264 21.266 4.296 1 T 2.451e+07 0.00e+00 a 0 0 0 0 0 3138 3.603 44.597 4.670 1 T 2.034e+06 0.00e+00 a 0 0 0 0 0 3139 4.297 44.597 4.648 1 T 2.907e+06 0.00e+00 a 0 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . 10.000 ppm . . . 4.757 . . 30850 1 2 . . C 13 C-aliphatic . . 64.000 ppm . . . 41.750 . . 30850 1 3 . . H 1 H . . 13.887 ppm . . . 4.757 . . 30850 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 30850 _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 9 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic' _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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #INAME 1 h #INAME 2 H #INAME 3 C #CYANAFORMAT hHC 1 7.943 139.274 1.744 1 T 5.517e+06 0.00e+00 a 0 0 0 0 0 2 7.943 139.274 2.577 1 T 5.641e+06 0.00e+00 a 0 0 0 0 0 7 6.590 118.094 1.553 1 T 6.007e+06 0.00e+00 a 0 0 0 0 0 8 6.590 118.094 3.010 1 T 2.624e+06 0.00e+00 a 0 0 0 0 0 10 6.796 118.084 3.943 1 T 1.065e+07 0.00e+00 a 0 0 0 0 0 11 7.020 132.442 3.898 1 T 6.871e+06 0.00e+00 a 0 0 0 0 0 12 7.122 133.456 4.153 1 T 7.629e+06 0.00e+00 a 0 0 0 0 0 14 6.506 133.029 3.959 1 T 2.833e+06 0.00e+00 a 0 0 0 0 0 15 7.143 133.013 8.266 1 T 3.017e+06 0.00e+00 a 0 0 0 0 0 17 6.590 118.094 3.265 1 T 1.821e+06 0.00e+00 a 0 0 0 0 0 19 7.089 133.293 4.538 1 T 1.026e+07 0.00e+00 a 0 0 0 0 0 20 7.089 133.292 2.995 1 T 3.205e+07 0.00e+00 a 0 0 0 0 0 21 6.590 118.094 0.384 1 T 1.789e+06 0.00e+00 a 0 0 0 0 0 23 7.104 131.488 3.049 1 T 5.880e+06 0.00e+00 a 0 0 0 0 0 34 7.943 139.274 2.320 1 T 3.835e+06 0.00e+00 a 0 0 0 0 0 37 7.943 139.274 2.207 1 T 4.454e+06 0.00e+00 a 0 0 0 0 0 38 7.943 139.274 1.011 1 T 2.412e+06 0.00e+00 a 0 0 0 0 0 40 6.796 118.084 3.014 1 T 7.267e+06 0.00e+00 a 0 0 0 0 0 42 6.796 118.084 7.090 1 T 8.277e+07 0.00e+00 a 0 0 0 0 0 44 7.104 131.488 4.361 1 T 4.336e+06 0.00e+00 a 0 0 0 0 0 45 7.104 131.488 4.525 1 T 4.317e+06 0.00e+00 a 0 0 0 0 0 60 7.143 133.013 4.185 1 T 6.590e+06 0.00e+00 a 0 0 0 0 0 61 7.143 133.013 2.984 1 T 1.328e+07 0.00e+00 a 0 0 0 0 0 62 7.143 133.013 2.849 1 T 1.298e+07 0.00e+00 a 0 0 0 0 0 64 6.956 118.510 7.143 1 T 3.423e+07 0.00e+00 a 0 0 0 0 0 65 6.958 118.510 6.480 1 T 5.290e+06 0.00e+00 a 0 0 0 0 0 66 6.956 118.510 2.978 1 T 4.029e+06 0.00e+00 a 0 0 0 0 0 67 6.956 118.510 2.850 1 T 3.346e+06 0.00e+00 a 0 0 0 0 0 68 6.956 118.510 4.250 1 T 1.250e+06 0.00e+00 a 0 0 0 0 0 74 6.956 118.510 2.036 1 T 2.112e+06 0.00e+00 a 0 0 0 0 0 78 7.121 131.850 1.512 1 T 3.728e+06 0.00e+00 a 0 0 0 0 0 79 7.121 131.850 0.412 1 T 2.473e+06 0.00e+00 a 0 0 0 0 0 85 7.121 131.850 4.249 1 T 4.462e+06 0.00e+00 a 0 0 0 0 0 86 7.121 131.850 3.227 1 T 8.161e+06 0.00e+00 a 0 0 0 0 0 87 7.121 131.850 3.308 1 T 9.876e+06 0.00e+00 a 0 0 0 0 0 89 7.122 133.456 3.125 1 T 1.872e+07 0.00e+00 a 0 0 0 0 0 90 7.122 133.456 3.200 1 T 1.636e+07 0.00e+00 a 0 0 0 0 0 92 7.122 133.456 1.312 1 T 6.685e+06 0.00e+00 a 0 0 0 0 0 96 7.122 133.456 9.096 1 T 1.463e+06 0.00e+00 a 0 0 0 0 0 98 7.122 133.456 4.695 1 T 4.094e+06 0.00e+00 a 0 0 0 0 0 100 7.089 133.292 6.799 1 T 8.426e+07 0.00e+00 a 0 0 0 0 0 104 6.590 118.094 4.357 1 T 1.149e+06 0.00e+00 a 0 0 0 0 0 105 6.506 133.029 3.011 1 T 2.593e+06 0.00e+00 a 0 0 0 0 0 107 6.506 133.029 6.240 1 T 3.418e+06 0.00e+00 a 0 0 0 0 0 110 6.892 118.085 3.384 1 T 3.996e+06 0.00e+00 a 0 0 0 0 0 111 6.892 118.085 2.916 1 T 3.069e+06 0.00e+00 a 0 0 0 0 0 112 6.892 118.085 1.007 1 T 4.192e+06 0.00e+00 a 0 0 0 0 0 115 6.798 117.926 4.341 1 T 6.991e+06 0.00e+00 a 0 0 0 0 0 123 7.020 132.442 6.798 1 T 4.268e+07 0.00e+00 a 0 0 0 0 0 125 7.020 132.442 5.183 1 T 9.021e+06 0.00e+00 a 0 0 0 0 0 126 7.020 132.442 3.157 1 T 8.413e+06 0.00e+00 a 0 0 0 0 0 130 7.020 132.442 1.307 1 T 5.297e+06 0.00e+00 a 0 0 0 0 0 133 6.870 118.735 7.123 1 T 2.156e+07 0.00e+00 a 0 0 0 0 0 136 6.506 133.029 3.148 1 T 2.371e+06 0.00e+00 a 0 0 0 0 0 139 7.943 139.274 2.455 1 T 5.647e+06 0.00e+00 a 0 0 0 0 0 141 7.122 133.456 3.013 1 T 1.755e+07 0.00e+00 a 0 0 0 0 0 144 7.143 133.013 3.124 1 T 1.106e+07 0.00e+00 a 0 0 0 0 0 148 6.956 118.510 3.122 1 T 3.104e+06 0.00e+00 a 0 0 0 0 0 149 7.104 131.488 4.187 1 T 3.539e+06 0.00e+00 a 0 0 0 0 0 150 7.104 131.488 2.892 1 T 5.503e+06 0.00e+00 a 0 0 0 0 0 154 6.799 118.160 2.897 1 T 5.861e+06 0.00e+00 a 0 0 0 0 0 157 7.143 133.013 0.423 1 T 3.040e+06 0.00e+00 a 0 0 0 0 0 159 7.943 139.274 2.113 1 T 3.999e+06 0.00e+00 a 0 0 0 0 0 161 6.892 118.085 0.927 1 T 4.600e+06 0.00e+00 a 0 0 0 0 0 162 6.798 117.925 1.964 1 T 4.838e+06 0.00e+00 a 0 0 0 0 0 163 6.798 117.925 2.561 1 T 4.230e+06 0.00e+00 a 0 0 0 0 0 164 6.798 117.925 2.677 1 T 4.238e+06 0.00e+00 a 0 0 0 0 0 165 6.798 117.925 0.776 1 T 3.490e+06 0.00e+00 a 0 0 0 0 0 170 6.798 117.925 3.889 1 T 1.192e+07 0.00e+00 a 0 0 0 0 0 172 6.798 117.925 5.176 1 T 7.572e+06 0.00e+00 a 0 0 0 0 0 181 7.020 132.442 2.694 1 T 1.012e+07 0.00e+00 a 0 0 0 0 0 183 7.020 132.442 0.772 1 T 2.887e+06 0.00e+00 a 0 0 0 0 0 184 7.020 132.442 8.325 1 T 2.778e+06 0.00e+00 a 0 0 0 0 0 185 6.796 118.084 1.926 1 T 3.989e+06 0.00e+00 a 0 0 0 0 0 186 6.796 118.084 2.006 1 T 3.881e+06 0.00e+00 a 0 0 0 0 0 188 7.089 133.293 4.393 1 T 1.243e+07 0.00e+00 a 0 0 0 0 0 189 7.089 133.292 3.714 1 T 3.411e+06 0.00e+00 a 0 0 0 0 0 192 6.798 117.926 1.320 1 T 6.550e+06 0.00e+00 a 0 0 0 0 0 194 6.796 118.084 1.246 1 T 6.117e+06 0.00e+00 a 0 0 0 0 0 195 6.796 118.084 3.324 1 T 4.968e+06 0.00e+00 a 0 0 0 0 0 196 6.796 118.084 3.846 1 T 7.447e+06 0.00e+00 a 0 0 0 0 0 197 6.796 118.084 4.310 1 T 7.288e+06 0.00e+00 a 0 0 0 0 0 199 7.104 131.488 2.740 1 T 2.538e+06 0.00e+00 a 0 0 0 0 0 200 7.104 131.488 2.661 1 T 2.294e+06 0.00e+00 a 0 0 0 0 0 201 6.799 118.160 1.355 1 T 6.652e+06 0.00e+00 a 0 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . 10.000 ppm . . . 4.757 . . 30850 2 2 . . C 13 C-aromatic . . 30.000 ppm . . . 127.500 . . 30850 2 3 . . H 1 H . . 13.887 ppm . . . 4.757 . . 30850 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 30850 _Spectral_peak_list.ID 3 _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 . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; # Number of dimensions 3 #INAME 1 h #INAME 2 H #INAME 3 N #CYANAFORMAT hHN 2 7.970 115.599 0.773 1 T 5.627e+06 0.00e+00 a 0 0 0 0 0 19 8.248 113.533 1.370 1 T 1.293e+07 0.00e+00 a 0 0 0 0 0 22 8.010 120.707 1.592 1 T 4.279e+06 0.00e+00 a 0 0 0 0 0 24 8.414 123.643 4.018 1 T 4.064e+07 0.00e+00 a 0 0 0 0 0 27 9.091 121.938 4.182 1 T 5.842e+06 0.00e+00 a 0 0 0 0 0 40 8.116 117.704 4.560 1 T 2.828e+07 0.00e+00 a 0 0 0 0 0 41 7.597 114.909 1.509 1 T 1.324e+07 0.00e+00 a 0 0 0 0 0 48 7.992 123.977 3.938 1 T 1.913e+07 0.00e+00 a 0 0 0 0 0 49 7.730 113.078 2.159 1 T 1.242e+07 0.00e+00 a 0 0 0 0 0 63 8.473 119.615 2.006 1 T 1.055e+07 0.00e+00 a 0 0 0 0 0 69 8.080 119.874 1.836 1 T 1.739e+07 0.00e+00 a 0 0 0 0 0 74 8.499 119.136 4.375 1 T 2.850e+06 0.00e+00 a 0 0 0 0 0 76 7.910 118.187 4.063 1 T 1.226e+07 0.00e+00 a 0 0 0 0 0 78 8.092 125.577 4.629 1 T 3.640e+07 0.00e+00 a 0 0 0 0 0 80 8.092 125.577 3.237 1 T 1.219e+07 0.00e+00 a 0 0 0 0 0 86 8.034 104.219 4.653 1 T 1.701e+07 0.00e+00 a 0 0 0 0 0 88 7.929 121.074 4.483 1 T 4.703e+07 0.00e+00 a 0 0 0 0 0 90 8.305 115.970 0.872 1 T 3.515e+06 0.00e+00 a 0 0 0 0 0 98 8.442 122.025 4.925 1 T 3.494e+07 0.00e+00 a 0 0 0 0 0 105 8.430 122.562 4.186 1 T 1.934e+07 0.00e+00 a 0 0 0 0 0 106 8.613 123.491 3.193 1 T 3.396e+06 0.00e+00 a 0 0 0 0 0 110 8.080 119.874 4.186 1 T 4.044e+07 0.00e+00 a 0 0 0 0 0 115 8.430 122.562 4.369 1 T 3.025e+07 0.00e+00 a 0 0 0 0 0 116 8.395 110.975 4.216 1 T 4.269e+06 0.00e+00 a 0 0 0 0 0 118 8.442 122.025 3.191 1 T 8.829e+06 0.00e+00 a 0 0 0 0 0 120 8.613 123.491 4.811 1 T 1.116e+07 0.00e+00 a 0 0 0 0 0 124 8.582 111.841 5.023 1 T 1.500e+07 0.00e+00 a 0 0 0 0 0 131 7.597 114.909 3.604 1 T 3.868e+06 0.00e+00 a 0 0 0 0 0 134 8.217 121.785 2.897 1 T 9.489e+06 0.00e+00 a 0 0 0 0 0 137 8.028 120.245 1.261 1 T 9.578e+06 0.00e+00 a 0 0 0 0 0 138 7.429 110.553 4.670 1 T 8.292e+06 0.00e+00 a 0 0 0 0 0 152 8.718 117.918 4.372 1 T 5.308e+06 0.00e+00 a 0 0 0 0 0 154 7.890 115.849 2.389 1 T 5.475e+06 0.00e+00 a 0 0 0 0 0 165 9.305 117.709 4.699 1 T 1.015e+07 0.00e+00 a 0 0 0 0 0 174 8.217 121.785 4.483 1 T 4.712e+07 0.00e+00 a 0 0 0 0 0 179 8.430 122.562 3.884 1 T 1.200e+07 0.00e+00 a 0 0 0 0 0 187 7.619 120.452 1.744 1 T 1.288e+07 0.00e+00 a 0 0 0 0 0 195 8.114 116.263 2.695 1 T 9.652e+06 0.00e+00 a 0 0 0 0 0 200 8.305 115.970 2.984 1 T 2.212e+07 0.00e+00 a 0 0 0 0 0 206 8.430 122.562 1.836 1 T 3.656e+07 0.00e+00 a 0 0 0 0 0 211 8.831 121.489 0.832 1 T 1.832e+07 0.00e+00 a 0 0 0 0 0 218 8.843 120.321 3.680 1 T 6.654e+06 0.00e+00 a 0 0 0 0 0 224 7.910 118.187 1.367 1 T 2.174e+07 0.00e+00 a 0 0 0 0 0 225 8.080 119.874 2.117 1 T 2.503e+06 0.00e+00 a 0 0 0 0 0 233 8.264 120.714 1.902 1 T 4.161e+06 0.00e+00 a 0 0 0 0 0 240 7.970 115.599 4.729 1 T 5.322e+06 0.00e+00 a 0 0 0 0 0 242 8.582 111.841 3.000 1 T 1.064e+07 0.00e+00 a 0 0 0 0 0 243 8.298 120.054 1.701 1 T 2.276e+07 0.00e+00 a 0 0 0 0 0 245 8.010 120.707 1.168 1 T 2.484e+06 0.00e+00 a 0 0 0 0 0 246 8.106 114.833 4.409 1 T 3.352e+07 0.00e+00 a 0 0 0 0 0 250 8.333 119.181 0.848 1 T 1.548e+07 0.00e+00 a 0 0 0 0 0 256 8.499 119.136 1.556 1 T 8.908e+06 0.00e+00 a 0 0 0 0 0 257 8.582 111.841 3.149 1 T 6.995e+06 0.00e+00 a 0 0 0 0 0 258 8.254 119.002 2.736 1 T 1.568e+07 0.00e+00 a 0 0 0 0 0 259 8.254 119.002 3.439 1 T 2.186e+07 0.00e+00 a 0 0 0 0 0 260 8.305 115.970 4.783 1 T 1.359e+07 0.00e+00 a 0 0 0 0 0 275 7.797 120.838 2.279 1 T 2.937e+06 0.00e+00 a 0 0 0 0 0 277 8.473 119.615 4.540 1 T 5.795e+07 0.00e+00 a 0 0 0 0 0 279 7.488 122.422 4.731 1 T 3.080e+06 0.00e+00 a 0 0 0 0 0 287 7.979 117.488 3.006 1 T 1.529e+07 0.00e+00 a 0 0 0 0 0 291 8.372 119.401 3.957 1 T 1.808e+07 0.00e+00 a 0 0 0 0 0 292 8.344 112.912 4.175 1 T 1.227e+07 0.00e+00 a 0 0 0 0 0 294 8.356 124.687 4.782 1 T 2.281e+07 0.00e+00 a 0 0 0 0 0 306 8.568 121.931 4.020 1 T 6.388e+06 0.00e+00 a 0 0 0 0 0 308 7.730 113.078 2.076 1 T 1.175e+07 0.00e+00 a 0 0 0 0 0 316 8.298 120.054 4.062 1 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1 T 4.075e+07 0.00e+00 a 0 0 0 0 0 411 8.028 120.245 4.338 1 T 3.256e+07 0.00e+00 a 0 0 0 0 0 424 8.305 115.970 2.837 1 T 1.526e+07 0.00e+00 a 0 0 0 0 0 425 7.992 123.977 4.127 1 T 2.392e+07 0.00e+00 a 0 0 0 0 0 426 8.473 119.615 1.930 1 T 1.240e+07 0.00e+00 a 0 0 0 0 0 427 8.857 114.622 3.234 1 T 2.782e+06 0.00e+00 a 0 0 0 0 0 441 8.309 116.201 2.675 1 T 4.237e+06 0.00e+00 a 0 0 0 0 0 443 8.333 119.181 3.427 1 T 5.217e+06 0.00e+00 a 0 0 0 0 0 452 8.969 122.346 5.178 1 T 1.698e+07 0.00e+00 a 0 0 0 0 0 453 8.478 122.467 2.168 1 T 6.730e+06 0.00e+00 a 0 0 0 0 0 460 8.229 115.799 8.432 1 T 1.009e+07 0.00e+00 a 0 0 0 0 0 470 8.460 127.045 1.730 1 T 6.254e+06 0.00e+00 a 0 0 0 0 0 473 7.915 124.105 2.503 1 T 8.143e+06 0.00e+00 a 0 0 0 0 0 479 7.970 115.599 3.894 1 T 4.241e+06 0.00e+00 a 0 0 0 0 0 482 8.092 125.577 2.942 1 T 9.781e+06 0.00e+00 a 0 0 0 0 0 492 7.730 113.078 2.358 1 T 1.407e+07 0.00e+00 a 0 0 0 0 0 494 8.356 124.687 0.818 1 T 1.938e+07 0.00e+00 a 0 0 0 0 0 496 8.395 110.975 1.173 1 T 3.335e+06 0.00e+00 a 0 0 0 0 0 500 8.478 122.467 4.334 1 T 5.887e+07 0.00e+00 a 0 0 0 0 0 505 8.568 121.931 3.149 1 T 5.050e+06 0.00e+00 a 0 0 0 0 0 511 9.305 117.709 2.868 1 T 3.715e+06 0.00e+00 a 0 0 0 0 0 518 8.718 117.918 2.437 1 T 1.617e+07 0.00e+00 a 0 0 0 0 0 519 7.730 113.078 3.953 1 T 9.421e+06 0.00e+00 a 0 0 0 0 0 522 7.429 110.553 3.050 1 T 6.302e+06 0.00e+00 a 0 0 0 0 0 531 8.969 122.346 2.868 1 T 4.798e+06 0.00e+00 a 0 0 0 0 0 536 8.395 110.975 4.366 1 T 1.986e+07 0.00e+00 a 0 0 0 0 0 539 8.229 115.799 4.641 1 T 2.764e+07 0.00e+00 a 0 0 0 0 0 543 8.430 122.562 3.311 1 T 2.031e+07 0.00e+00 a 0 0 0 0 0 555 8.478 122.467 1.818 1 T 1.331e+07 0.00e+00 a 0 0 0 0 0 556 8.460 127.045 1.641 1 T 6.266e+06 0.00e+00 a 0 0 0 0 0 559 8.430 122.562 3.798 1 T 8.951e+06 0.00e+00 a 0 0 0 0 0 563 8.613 123.491 3.009 1 T 3.888e+06 0.00e+00 a 0 0 0 0 0 564 7.915 124.105 2.566 1 T 1.064e+07 0.00e+00 a 0 0 0 0 0 581 7.619 120.452 4.927 1 T 8.526e+06 0.00e+00 a 0 0 0 0 0 582 8.254 119.002 3.687 1 T 2.179e+07 0.00e+00 a 0 0 0 0 0 586 8.298 120.054 1.957 1 T 4.580e+07 0.00e+00 a 0 0 0 0 0 603 8.010 120.707 4.270 1 T 1.234e+07 0.00e+00 a 0 0 0 0 0 609 8.264 120.714 2.188 1 T 3.035e+06 0.00e+00 a 0 0 0 0 0 610 8.309 116.201 2.021 1 T 1.029e+07 0.00e+00 a 0 0 0 0 0 611 7.890 115.849 4.175 1 T 2.536e+07 0.00e+00 a 0 0 0 0 0 615 7.569 116.047 9.092 1 T 9.524e+06 0.00e+00 a 0 0 0 0 0 621 8.264 120.714 2.047 1 T 3.747e+06 0.00e+00 a 0 0 0 0 0 624 8.333 119.181 2.081 1 T 5.640e+07 0.00e+00 a 0 0 0 0 0 626 8.309 116.201 3.911 1 T 6.983e+06 0.00e+00 a 0 0 0 0 0 629 8.080 119.874 1.999 1 T 5.448e+06 0.00e+00 a 0 0 0 0 0 636 8.843 120.321 4.237 1 T 3.854e+06 0.00e+00 a 0 0 0 0 0 639 8.718 117.918 1.960 1 T 3.838e+07 0.00e+00 a 0 0 0 0 0 647 8.831 121.489 3.953 1 T 6.159e+06 0.00e+00 a 0 0 0 0 0 648 7.797 120.838 4.369 1 T 1.345e+07 0.00e+00 a 0 0 0 0 0 649 8.309 116.201 2.299 1 T 1.204e+07 0.00e+00 a 0 0 0 0 0 659 8.254 119.002 2.856 1 T 1.516e+07 0.00e+00 a 0 0 0 0 0 660 8.264 120.714 4.252 1 T 1.489e+07 0.00e+00 a 0 0 0 0 0 661 8.430 122.562 2.117 1 T 9.995e+06 0.00e+00 a 0 0 0 0 0 664 8.356 124.687 4.015 1 T 1.320e+07 0.00e+00 a 0 0 0 0 0 665 8.568 121.931 3.008 1 T 9.021e+06 0.00e+00 a 0 0 0 0 0 668 8.217 121.785 3.057 1 T 9.895e+06 0.00e+00 a 0 0 0 0 0 670 8.356 124.687 2.066 1 T 1.720e+07 0.00e+00 a 0 0 0 0 0 702 7.890 115.849 1.993 1 T 2.644e+07 0.00e+00 a 0 0 0 0 0 705 8.843 120.321 3.439 1 T 8.856e+06 0.00e+00 a 0 0 0 0 0 708 8.414 123.643 0.874 1 T 1.225e+07 0.00e+00 a 0 0 0 0 0 710 8.258 124.018 4.336 1 T 1.734e+07 0.00e+00 a 0 0 0 0 0 711 8.857 114.622 2.292 1 T 3.850e+06 0.00e+00 a 0 0 0 0 0 719 8.114 116.263 4.981 1 T 3.350e+06 0.00e+00 a 0 0 0 0 0 721 8.414 123.643 2.063 1 T 4.413e+06 0.00e+00 a 0 0 0 0 0 724 8.473 119.615 2.228 1 T 7.570e+06 0.00e+00 a 0 0 0 0 0 741 8.248 113.533 1.187 1 T 9.612e+06 0.00e+00 a 0 0 0 0 0 755 8.106 114.833 1.375 1 T 2.993e+06 0.00e+00 a 0 0 0 0 0 763 8.106 114.833 1.171 1 T 1.155e+07 0.00e+00 a 0 0 0 0 0 764 8.395 110.975 3.985 1 T 2.080e+07 0.00e+00 a 0 0 0 0 0 766 8.395 110.975 8.221 1 T 8.150e+06 0.00e+00 a 0 0 0 0 0 767 8.221 120.432 4.360 1 T 3.968e+06 0.00e+00 a 0 0 0 0 0 768 8.221 120.432 2.730 1 T 1.599e+07 0.00e+00 a 0 0 0 0 0 769 8.221 120.432 4.642 1 T 1.614e+07 0.00e+00 a 0 0 0 0 0 780 8.613 123.491 4.322 1 T 4.824e+06 0.00e+00 a 0 0 0 0 0 782 8.613 123.491 1.344 1 T 2.853e+06 0.00e+00 a 0 0 0 0 0 784 8.460 127.045 8.251 1 T 6.014e+06 0.00e+00 a 0 0 0 0 0 787 8.460 127.045 1.366 1 T 2.751e+07 0.00e+00 a 0 0 0 0 0 794 8.229 115.799 2.632 1 T 9.034e+06 0.00e+00 a 0 0 0 0 0 795 8.229 115.799 4.362 1 T 1.788e+07 0.00e+00 a 0 0 0 0 0 796 8.229 115.799 3.883 1 T 2.089e+07 0.00e+00 a 0 0 0 0 0 797 8.229 115.799 2.731 1 T 7.044e+06 0.00e+00 a 0 0 0 0 0 800 8.430 122.562 8.081 1 T 1.851e+07 0.00e+00 a 0 0 0 0 0 805 8.478 122.467 2.578 1 T 1.140e+07 0.00e+00 a 0 0 0 0 0 826 8.080 119.874 2.937 1 T 4.117e+07 0.00e+00 a 0 0 0 0 0 827 8.080 119.874 3.883 1 T 2.463e+06 0.00e+00 a 0 0 0 0 0 829 8.080 119.874 4.360 1 T 4.463e+06 0.00e+00 a 0 0 0 0 0 830 8.080 119.874 7.103 1 T 6.151e+06 0.00e+00 a 0 0 0 0 0 831 8.080 119.874 8.432 1 T 1.916e+07 0.00e+00 a 0 0 0 0 0 836 7.929 121.074 3.057 1 T 2.655e+07 0.00e+00 a 0 0 0 0 0 837 7.929 121.074 2.896 1 T 3.257e+07 0.00e+00 a 0 0 0 0 0 839 7.929 121.074 1.836 1 T 2.478e+06 0.00e+00 a 0 0 0 0 0 841 7.929 121.074 7.106 1 T 1.215e+07 0.00e+00 a 0 0 0 0 0 846 8.217 121.785 2.653 1 T 3.070e+07 0.00e+00 a 0 0 0 0 0 849 8.217 121.785 4.600 1 T 2.257e+07 0.00e+00 a 0 0 0 0 0 850 8.217 121.785 7.099 1 T 5.662e+06 0.00e+00 a 0 0 0 0 0 851 8.217 121.785 7.930 1 T 1.691e+07 0.00e+00 a 0 0 0 0 0 863 8.218 123.423 4.394 1 T 2.437e+07 0.00e+00 a 0 0 0 0 0 864 8.218 123.423 4.168 1 T 2.795e+07 0.00e+00 a 0 0 0 0 0 868 7.979 117.488 3.834 1 T 1.618e+07 0.00e+00 a 0 0 0 0 0 869 7.979 117.488 1.366 1 T 6.575e+06 0.00e+00 a 0 0 0 0 0 871 7.979 117.488 7.086 1 T 4.445e+06 0.00e+00 a 0 0 0 0 0 873 7.979 117.488 8.229 1 T 2.176e+07 0.00e+00 a 0 0 0 0 0 874 8.258 124.018 1.916 1 T 1.607e+07 0.00e+00 a 0 0 0 0 0 875 8.258 124.018 1.557 1 T 9.132e+06 0.00e+00 a 0 0 0 0 0 876 8.258 124.018 1.248 1 T 7.191e+06 0.00e+00 a 0 0 0 0 0 877 8.258 124.018 0.922 1 T 9.503e+06 0.00e+00 a 0 0 0 0 0 881 8.258 124.018 3.960 1 T 1.446e+07 0.00e+00 a 0 0 0 0 0 882 8.258 124.018 3.837 1 T 4.479e+06 0.00e+00 a 0 0 0 0 0 883 8.258 124.018 7.843 1 T 1.189e+07 0.00e+00 a 0 0 0 0 0 892 7.992 123.977 4.284 1 T 4.775e+06 0.00e+00 a 0 0 0 0 0 894 7.992 123.977 1.366 1 T 4.810e+07 0.00e+00 a 0 0 0 0 0 895 7.910 118.187 0.936 1 T 3.338e+06 0.00e+00 a 0 0 0 0 0 896 7.910 118.187 1.955 1 T 4.278e+06 0.00e+00 a 0 0 0 0 0 897 7.910 118.187 3.328 1 T 4.744e+07 0.00e+00 a 0 0 0 0 0 898 7.910 118.187 4.285 1 T 1.733e+07 0.00e+00 a 0 0 0 0 0 899 7.910 118.187 8.418 1 T 1.704e+07 0.00e+00 a 0 0 0 0 0 900 8.298 120.054 1.289 1 T 1.201e+07 0.00e+00 a 0 0 0 0 0 901 8.298 120.054 1.011 1 T 1.475e+07 0.00e+00 a 0 0 0 0 0 907 8.218 123.423 3.008 1 T 4.441e+07 0.00e+00 a 0 0 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1082 8.298 120.054 7.911 1 T 3.608e+06 0.00e+00 a 0 0 0 0 0 1083 8.334 120.150 2.284 1 T 1.192e+07 0.00e+00 a 0 0 0 0 0 1084 8.334 120.150 2.697 1 T 2.459e+07 0.00e+00 a 0 0 0 0 0 1086 8.334 120.150 3.159 1 T 1.519e+07 0.00e+00 a 0 0 0 0 0 1088 8.334 120.150 1.834 1 T 1.077e+07 0.00e+00 a 0 0 0 0 0 1089 8.334 120.150 4.245 1 T 5.691e+07 0.00e+00 a 0 0 0 0 0 1092 8.334 120.150 6.796 1 T 3.231e+06 0.00e+00 a 0 0 0 0 0 1093 8.334 120.150 7.013 1 T 1.287e+07 0.00e+00 a 0 0 0 0 0 1094 8.334 120.150 5.178 1 T 1.255e+07 0.00e+00 a 0 0 0 0 0 1096 8.334 120.150 8.968 1 T 2.942e+06 0.00e+00 a 0 0 0 0 0 1097 8.969 122.346 2.281 1 T 5.679e+06 0.00e+00 a 0 0 0 0 0 1099 8.969 122.346 4.677 1 T 4.045e+06 0.00e+00 a 0 0 0 0 0 1100 8.969 122.346 7.023 1 T 3.216e+06 0.00e+00 a 0 0 0 0 0 1102 8.969 122.346 8.578 1 T 4.591e+06 0.00e+00 a 0 0 0 0 0 1104 9.305 117.709 2.031 1 T 4.858e+06 0.00e+00 a 0 0 0 0 0 1105 9.305 117.709 1.460 1 T 1.402e+07 0.00e+00 a 0 0 0 0 0 1106 8.718 117.918 9.090 1 T 2.809e+06 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8.339 1 T 1.251e+07 0.00e+00 a 0 0 0 0 0 1144 8.344 112.912 7.902 1 T 1.246e+07 0.00e+00 a 0 0 0 0 0 1145 8.344 112.912 7.573 1 T 8.462e+06 0.00e+00 a 0 0 0 0 0 1146 8.344 112.912 2.388 1 T 9.139e+06 0.00e+00 a 0 0 0 0 0 1150 7.890 115.849 1.557 1 T 2.906e+06 0.00e+00 a 0 0 0 0 0 1152 7.897 116.130 4.297 1 T 3.778e+07 0.00e+00 a 0 0 0 0 0 1154 7.897 116.130 3.605 1 T 2.903e+07 0.00e+00 a 0 0 0 0 0 1156 7.890 115.849 3.327 1 T 5.452e+06 0.00e+00 a 0 0 0 0 0 1157 7.890 115.849 3.115 1 T 2.055e+07 0.00e+00 a 0 0 0 0 0 1158 7.890 115.849 1.311 1 T 9.622e+06 0.00e+00 a 0 0 0 0 0 1159 7.897 116.130 1.121 1 T 5.270e+06 0.00e+00 a 0 0 0 0 0 1161 7.890 115.849 8.840 1 T 3.876e+07 0.00e+00 a 0 0 0 0 0 1162 7.890 115.849 8.346 1 T 2.757e+07 0.00e+00 a 0 0 0 0 0 1163 8.845 124.857 4.097 1 T 4.631e+06 0.00e+00 a 0 0 0 0 0 1164 8.845 124.857 3.119 1 T 3.308e+06 0.00e+00 a 0 0 0 0 0 1165 8.845 124.857 1.304 1 T 7.110e+06 0.00e+00 a 0 0 0 0 0 1166 8.845 124.857 7.896 1 T 6.227e+06 0.00e+00 a 0 0 0 0 0 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1336 8.163 115.387 7.972 1 T 9.222e+06 0.00e+00 a 0 0 0 0 0 1338 8.163 115.387 7.621 1 T 2.487e+06 0.00e+00 a 0 0 0 0 0 1339 8.163 115.387 1.749 1 T 8.935e+06 0.00e+00 a 0 0 0 0 0 1343 7.970 115.599 1.756 1 T 2.391e+06 0.00e+00 a 0 0 0 0 0 1354 7.897 116.130 2.547 1 T 1.810e+07 0.00e+00 a 0 0 0 0 0 1358 7.897 116.130 4.650 1 T 1.612e+07 0.00e+00 a 0 0 0 0 0 1374 6.882 112.180 2.502 1 T 9.760e+06 0.00e+00 a 0 0 0 0 0 1375 6.882 112.180 7.552 1 T 7.234e+07 0.00e+00 a 0 0 0 0 0 1377 7.552 112.180 2.500 1 T 1.898e+07 0.00e+00 a 0 0 0 0 0 1378 7.552 112.180 1.996 1 T 3.368e+06 0.00e+00 a 0 0 0 0 0 1381 7.890 115.849 9.171 1 T 5.357e+06 0.00e+00 a 0 0 0 0 0 1383 9.171 117.948 4.174 1 T 1.502e+06 0.00e+00 a 0 0 0 0 0 1384 9.171 117.948 3.328 1 T 1.900e+06 0.00e+00 a 0 0 0 0 0 1388 7.909 120.656 1.510 1 T 6.877e+06 0.00e+00 a 0 0 0 0 0 1391 7.909 120.656 3.307 1 T 4.413e+07 0.00e+00 a 0 0 0 0 0 1392 7.909 120.656 7.123 1 T 7.128e+06 0.00e+00 a 0 0 0 0 0 1394 7.965 119.048 7.597 1 T 1.044e+07 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1553 8.298 120.054 0.930 1 T 9.248e+06 0.00e+00 a 0 0 0 0 0 1556 8.229 123.605 7.910 1 T 8.388e+06 0.00e+00 a 0 0 0 0 0 1559 8.229 123.605 1.293 1 T 5.230e+06 0.00e+00 a 0 0 0 0 0 1561 7.910 118.187 3.939 1 T 1.179e+07 0.00e+00 a 0 0 0 0 0 1563 8.430 122.562 4.074 1 T 1.582e+07 0.00e+00 a 0 0 0 0 0 1564 8.429 122.562 3.198 1 T 9.628e+06 0.00e+00 a 0 0 0 0 0 1566 8.430 122.562 7.923 1 T 1.755e+07 0.00e+00 a 0 0 0 0 0 1567 8.430 122.562 0.928 1 T 3.098e+06 0.00e+00 a 0 0 0 0 0 1568 8.430 122.562 1.282 1 T 2.712e+06 0.00e+00 a 0 0 0 0 0 1569 8.430 122.562 1.783 1 T 3.648e+07 0.00e+00 a 0 0 0 0 0 1570 8.430 122.562 1.695 1 T 1.548e+07 0.00e+00 a 0 0 0 0 0 1571 8.430 122.562 1.944 1 T 3.629e+07 0.00e+00 a 0 0 0 0 0 1573 8.430 122.562 2.724 1 T 3.311e+06 0.00e+00 a 0 0 0 0 0 1577 8.229 123.605 1.007 1 T 1.289e+07 0.00e+00 a 0 0 0 0 0 1578 8.229 123.605 3.430 1 T 2.172e+06 0.00e+00 a 0 0 0 0 0 1579 8.229 123.605 4.238 1 T 1.389e+07 0.00e+00 a 0 0 0 0 0 1580 8.229 123.605 7.100 1 T 4.106e+06 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1619 7.429 110.553 2.837 1 T 4.400e+06 0.00e+00 a 0 0 0 0 0 1620 7.429 110.553 3.145 1 T 7.039e+06 0.00e+00 a 0 0 0 0 0 1622 8.582 111.841 4.926 1 T 1.226e+07 0.00e+00 a 0 0 0 0 0 1623 8.582 111.841 6.997 1 T 2.617e+06 0.00e+00 a 0 0 0 0 0 1624 8.582 111.841 2.565 1 T 2.127e+06 0.00e+00 a 0 0 0 0 0 1625 7.619 120.452 1.503 1 T 3.912e+06 0.00e+00 a 0 0 0 0 0 1626 7.619 120.452 1.965 1 T 4.238e+06 0.00e+00 a 0 0 0 0 0 1627 7.619 120.452 2.456 1 T 6.257e+06 0.00e+00 a 0 0 0 0 0 1629 8.163 115.387 6.803 1 T 2.157e+06 0.00e+00 a 0 0 0 0 0 1630 8.163 115.387 2.111 1 T 3.994e+06 0.00e+00 a 0 0 0 0 0 1631 8.163 115.387 2.454 1 T 8.619e+06 0.00e+00 a 0 0 0 0 0 1632 7.970 115.599 1.964 1 T 2.605e+06 0.00e+00 a 0 0 0 0 0 1636 8.034 104.219 2.504 1 T 1.393e+06 0.00e+00 a 0 0 0 0 0 1642 7.915 124.105 3.600 1 T 6.741e+06 0.00e+00 a 0 0 0 0 0 1644 8.334 120.150 1.983 1 T 7.752e+06 0.00e+00 a 0 0 0 0 0 1645 7.915 124.105 0.861 1 T 5.674e+06 0.00e+00 a 0 0 0 0 0 1647 8.092 125.577 2.732 1 T 1.008e+07 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4.642 1 T 7.299e+06 0.00e+00 a 0 0 0 0 0 1735 8.395 110.975 8.106 1 T 4.292e+06 0.00e+00 a 0 0 0 0 0 1736 8.221 120.432 3.985 1 T 2.954e+07 0.00e+00 a 0 0 0 0 0 1737 8.221 120.432 8.400 1 T 5.947e+06 0.00e+00 a 0 0 0 0 0 1738 8.229 115.799 3.797 1 T 1.218e+07 0.00e+00 a 0 0 0 0 0 1740 7.929 121.074 4.599 1 T 2.056e+07 0.00e+00 a 0 0 0 0 0 1742 8.217 121.785 8.037 1 T 1.563e+07 0.00e+00 a 0 0 0 0 0 1743 8.217 121.785 4.191 1 T 3.700e+06 0.00e+00 a 0 0 0 0 0 1745 6.997 86.048 2.818 1 T 5.480e+06 0.00e+00 a 0 0 0 0 0 1746 6.997 86.048 2.573 1 T 7.161e+06 0.00e+00 a 0 0 0 0 0 1747 6.997 86.048 1.292 1 T 5.454e+06 0.00e+00 a 0 0 0 0 0 1748 6.997 86.048 1.119 1 T 4.544e+06 0.00e+00 a 0 0 0 0 0 1749 6.997 86.048 0.986 1 T 7.968e+06 0.00e+00 a 0 0 0 0 0 1750 6.997 86.048 5.811 1 T 7.173e+06 0.00e+00 a 0 0 0 0 0 1751 6.997 86.048 7.901 1 T 2.145e+06 0.00e+00 a 0 0 0 0 0 1757 6.997 86.048 1.504 1 T 2.304e+06 0.00e+00 a 0 0 0 0 0 1761 7.364 85.390 4.784 1 T 4.424e+06 0.00e+00 a 0 0 0 0 0 1766 7.364 85.390 1.839 1 T 3.157e+06 0.00e+00 a 0 0 0 0 0 1767 7.364 85.390 2.017 1 T 3.324e+06 0.00e+00 a 0 0 0 0 0 1773 6.997 86.048 6.797 1 T 4.398e+06 0.00e+00 a 0 0 0 0 0 1776 7.388 113.196 3.623 1 T 2.088e+06 0.00e+00 a 0 0 0 0 0 1777 8.406 119.570 2.904 1 T 4.051e+06 0.00e+00 a 0 0 0 0 0 1778 8.406 119.570 2.511 1 T 2.094e+06 0.00e+00 a 0 0 0 0 0 1779 8.406 119.570 4.777 1 T 2.154e+06 0.00e+00 a 0 0 0 0 0 1780 7.528 84.087 3.218 1 T 6.153e+06 0.00e+00 a 0 0 0 0 0 1781 7.528 84.087 1.761 1 T 3.311e+06 0.00e+00 a 0 0 0 0 0 1782 7.528 84.087 1.993 1 T 3.434e+06 0.00e+00 a 0 0 0 0 0 1783 8.718 117.918 4.083 1 T 2.221e+07 0.00e+00 a 0 0 0 0 0 1784 8.258 124.018 0.855 1 T 7.290e+06 0.00e+00 a 0 0 0 0 0 1785 8.414 123.643 4.317 1 T 1.705e+06 0.00e+00 a 0 0 0 0 0 1786 8.414 123.643 0.935 1 T 9.077e+06 0.00e+00 a 0 0 0 0 0 1787 8.442 122.025 0.931 1 T 6.660e+06 0.00e+00 a 0 0 0 0 0 1788 8.442 122.025 1.919 1 T 2.290e+07 0.00e+00 a 0 0 0 0 0 1789 8.442 122.025 4.001 1 T 3.501e+06 0.00e+00 a 0 0 0 0 0 1793 9.091 121.938 1.279 1 T 1.722e+06 0.00e+00 a 0 0 0 0 0 1794 7.488 122.422 3.892 1 T 3.781e+06 0.00e+00 a 0 0 0 0 0 1795 7.488 122.422 2.837 1 T 1.862e+06 0.00e+00 a 0 0 0 0 0 1796 6.997 86.048 4.259 1 T 1.556e+06 0.00e+00 a 0 0 0 0 0 1797 6.997 86.048 4.647 1 T 1.470e+06 0.00e+00 a 0 0 0 0 0 1798 8.106 114.833 4.644 1 T 7.347e+06 0.00e+00 a 0 0 0 0 0 1799 8.034 104.219 2.074 1 T 1.763e+07 0.00e+00 a 0 0 0 0 0 1800 8.034 104.219 2.213 1 T 9.756e+06 0.00e+00 a 0 0 0 0 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H . . 12.000 ppm . . . 4.757 . . 30850 3 2 . . N 15 N . . 27.000 ppm . . . 115.621 . . 30850 3 3 . . H 1 H . . 13.887 ppm . . . 4.757 . . 30850 3 stop_ save_