data_34555 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34555 _Entry.Title ; Structural evolution of the tissue-specific U2AF2 paralog and alternative splicing factor LS2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-09-04 _Entry.Accession_date 2020-09-04 _Entry.Last_release_date 2020-10-19 _Entry.Original_release_date 2020-10-19 _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 A. Kawale A. A. . . 34555 2 H. Kang H. S. . . 34555 3 M. Sattler M. . . . 34555 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'G quadruplex' . 34555 LS2 . 34555 'RNA BINDING PROTEIN' . 34555 'RNA-protein interactions' . 34555 'RRM RNA binding domain' . 34555 U2AF . 34555 'alternative splicing' . 34555 'structural biology' . 34555 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34555 spectral_peak_list 1 34555 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 269 34555 '15N chemical shifts' 87 34555 '1H chemical shifts' 552 34555 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 . . 2021-10-01 . original BMRB . 34555 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7AAF 'BMRB Entry Tracking System' 34555 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34555 _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 ; Structural evolution of the tissue-specific U2AF2 paralog and alternative splicing factor LS2 ; _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 A. Kawale A. A. . . 34555 1 2 H. Kang H. S. . . 34555 1 3 M. Sattler M. . . . 34555 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34555 _Assembly.ID 1 _Assembly.Name 'U2 snRNP auxiliary factor large subunit' _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 . . . . . . 34555 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34555 _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 ; AMGNKIYVGGLPTCLNQDQV KELLQSFGELKGLNLVMDTN TNLNKGFAFFEYCDPSVTDH AIAGLHGMLLGDRRLVVQRS I ; _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 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8907.245 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 239 ALA . 34555 1 2 240 MET . 34555 1 3 241 GLY . 34555 1 4 242 ASN . 34555 1 5 243 LYS . 34555 1 6 244 ILE . 34555 1 7 245 TYR . 34555 1 8 246 VAL . 34555 1 9 247 GLY . 34555 1 10 248 GLY . 34555 1 11 249 LEU . 34555 1 12 250 PRO . 34555 1 13 251 THR . 34555 1 14 252 CYS . 34555 1 15 253 LEU . 34555 1 16 254 ASN . 34555 1 17 255 GLN . 34555 1 18 256 ASP . 34555 1 19 257 GLN . 34555 1 20 258 VAL . 34555 1 21 259 LYS . 34555 1 22 260 GLU . 34555 1 23 261 LEU . 34555 1 24 262 LEU . 34555 1 25 263 GLN . 34555 1 26 264 SER . 34555 1 27 265 PHE . 34555 1 28 266 GLY . 34555 1 29 267 GLU . 34555 1 30 268 LEU . 34555 1 31 269 LYS . 34555 1 32 270 GLY . 34555 1 33 271 LEU . 34555 1 34 272 ASN . 34555 1 35 273 LEU . 34555 1 36 274 VAL . 34555 1 37 275 MET . 34555 1 38 276 ASP . 34555 1 39 277 THR . 34555 1 40 278 ASN . 34555 1 41 279 THR . 34555 1 42 280 ASN . 34555 1 43 281 LEU . 34555 1 44 282 ASN . 34555 1 45 283 LYS . 34555 1 46 284 GLY . 34555 1 47 285 PHE . 34555 1 48 286 ALA . 34555 1 49 287 PHE . 34555 1 50 288 PHE . 34555 1 51 289 GLU . 34555 1 52 290 TYR . 34555 1 53 291 CYS . 34555 1 54 292 ASP . 34555 1 55 293 PRO . 34555 1 56 294 SER . 34555 1 57 295 VAL . 34555 1 58 296 THR . 34555 1 59 297 ASP . 34555 1 60 298 HIS . 34555 1 61 299 ALA . 34555 1 62 300 ILE . 34555 1 63 301 ALA . 34555 1 64 302 GLY . 34555 1 65 303 LEU . 34555 1 66 304 HIS . 34555 1 67 305 GLY . 34555 1 68 306 MET . 34555 1 69 307 LEU . 34555 1 70 308 LEU . 34555 1 71 309 GLY . 34555 1 72 310 ASP . 34555 1 73 311 ARG . 34555 1 74 312 ARG . 34555 1 75 313 LEU . 34555 1 76 314 VAL . 34555 1 77 315 VAL . 34555 1 78 316 GLN . 34555 1 79 317 ARG . 34555 1 80 318 SER . 34555 1 81 319 ILE . 34555 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 . ALA 1 1 34555 1 . MET 2 2 34555 1 . GLY 3 3 34555 1 . ASN 4 4 34555 1 . LYS 5 5 34555 1 . ILE 6 6 34555 1 . TYR 7 7 34555 1 . VAL 8 8 34555 1 . GLY 9 9 34555 1 . GLY 10 10 34555 1 . LEU 11 11 34555 1 . PRO 12 12 34555 1 . THR 13 13 34555 1 . CYS 14 14 34555 1 . LEU 15 15 34555 1 . ASN 16 16 34555 1 . GLN 17 17 34555 1 . ASP 18 18 34555 1 . GLN 19 19 34555 1 . VAL 20 20 34555 1 . LYS 21 21 34555 1 . GLU 22 22 34555 1 . LEU 23 23 34555 1 . LEU 24 24 34555 1 . GLN 25 25 34555 1 . SER 26 26 34555 1 . PHE 27 27 34555 1 . GLY 28 28 34555 1 . GLU 29 29 34555 1 . LEU 30 30 34555 1 . LYS 31 31 34555 1 . GLY 32 32 34555 1 . LEU 33 33 34555 1 . ASN 34 34 34555 1 . LEU 35 35 34555 1 . VAL 36 36 34555 1 . MET 37 37 34555 1 . ASP 38 38 34555 1 . THR 39 39 34555 1 . ASN 40 40 34555 1 . THR 41 41 34555 1 . ASN 42 42 34555 1 . LEU 43 43 34555 1 . ASN 44 44 34555 1 . LYS 45 45 34555 1 . GLY 46 46 34555 1 . PHE 47 47 34555 1 . ALA 48 48 34555 1 . PHE 49 49 34555 1 . PHE 50 50 34555 1 . GLU 51 51 34555 1 . TYR 52 52 34555 1 . CYS 53 53 34555 1 . ASP 54 54 34555 1 . PRO 55 55 34555 1 . SER 56 56 34555 1 . VAL 57 57 34555 1 . THR 58 58 34555 1 . ASP 59 59 34555 1 . HIS 60 60 34555 1 . ALA 61 61 34555 1 . ILE 62 62 34555 1 . ALA 63 63 34555 1 . GLY 64 64 34555 1 . LEU 65 65 34555 1 . HIS 66 66 34555 1 . GLY 67 67 34555 1 . MET 68 68 34555 1 . LEU 69 69 34555 1 . LEU 70 70 34555 1 . GLY 71 71 34555 1 . ASP 72 72 34555 1 . ARG 73 73 34555 1 . ARG 74 74 34555 1 . LEU 75 75 34555 1 . VAL 76 76 34555 1 . VAL 77 77 34555 1 . GLN 78 78 34555 1 . ARG 79 79 34555 1 . SER 80 80 34555 1 . ILE 81 81 34555 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 34555 _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 . 7227 organism . 'Drosophila melanogaster' 'Fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . 'LS2, cg3162, Dmel\CG3162, CG3162, Dmel_CG3162' . 34555 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 34555 _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 . . . . . . . . . . 34555 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34555 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM 13C 15N LS2 RRM2, 0.02 mM 13C 15N potassium phosphate pH 6.5, 0.05 mM 13C 15N sodium chloride, 0.002 mM 13C 15N DTT, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'LS2 RRM2' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34555 1 2 'potassium phosphate pH 6.5' 'natural abundance' . . . . . . 0.02 . . mM . . . . 34555 1 3 'sodium chloride' 'natural abundance' . . . . . . 0.05 . . mM . . . . 34555 1 4 DTT 'natural abundance' . . . . . . 0.002 . . mM . . . . 34555 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 34555 _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' 0.07 . mM 34555 1 pH 6.5 . pH 34555 1 pressure 1 . atm 34555 1 temperature 298 . K 34555 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34555 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 34555 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34555 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34555 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34555 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34555 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34555 _Software.ID 3 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 34555 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34555 3 'peak picking' . 34555 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34555 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE 750' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34555 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE 800' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34555 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE 900' _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 34555 _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 750' . 750 . . . 34555 1 2 NMR_spectrometer_2 Bruker 'AVANCE 800' . 800 . . . 34555 1 3 NMR_spectrometer_3 Bruker 'AVANCE 900' . 900 . . . 34555 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 34555 _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 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34555 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34555 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34555 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34555 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34555 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34555 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34555 1 8 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34555 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 34555 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34555 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34555 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34555 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 34555 _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' . . . 34555 1 2 '2D 1H-13C HSQC aliphatic' . . . 34555 1 3 '2D 1H-13C HSQC aromatic' . . . 34555 1 4 '3D HNCACB' . . . 34555 1 5 '3D HNCA' . . . 34555 1 6 '3D 1H-13C NOESY aliphatic' . . . 34555 1 7 '3D 1H-15N NOESY' . . . 34555 1 8 '3D 1H-13C NOESY aromatic' . . . 34555 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 1 1 ALA HA H 1 4.331 0.00 . . . . . . A 239 ALA HA . 34555 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.356 0.00 . . . . . . A 239 ALA HB1 . 34555 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.356 0.00 . . . . . . A 239 ALA HB2 . 34555 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.356 0.00 . . . . . . A 239 ALA HB3 . 34555 1 5 . 1 . 1 1 1 ALA CA C 13 49.874 0.02 . . . . . . A 239 ALA CA . 34555 1 6 . 1 . 1 1 1 ALA CB C 13 16.681 0.04 . . . . . . A 239 ALA CB . 34555 1 7 . 1 . 1 2 2 MET H H 1 8.467 0.00 . . . . . . A 240 MET H . 34555 1 8 . 1 . 1 2 2 MET HA H 1 4.485 0.00 . . . . . . A 240 MET HA . 34555 1 9 . 1 . 1 2 2 MET HB2 H 1 2.035 0.00 . . . . . . A 240 MET HB2 . 34555 1 10 . 1 . 1 2 2 MET HB3 H 1 1.970 0.00 . . . . . . A 240 MET HB3 . 34555 1 11 . 1 . 1 2 2 MET HG2 H 1 2.027 0.00 . . . . . . A 240 MET HG2 . 34555 1 12 . 1 . 1 2 2 MET HG3 H 1 1.924 0.00 . . . . . . A 240 MET HG3 . 34555 1 13 . 1 . 1 2 2 MET CA C 13 52.625 0.03 . . . . . . A 240 MET CA . 34555 1 14 . 1 . 1 2 2 MET CB C 13 30.534 0.10 . . . . . . A 240 MET CB . 34555 1 15 . 1 . 1 2 2 MET CG C 13 29.279 0.05 . . . . . . A 240 MET CG . 34555 1 16 . 1 . 1 2 2 MET N N 15 119.564 0.00 . . . . . . A 240 MET N . 34555 1 17 . 1 . 1 3 3 GLY H H 1 8.329 0.00 . . . . . . A 241 GLY H . 34555 1 18 . 1 . 1 3 3 GLY HA2 H 1 3.970 0.00 . . . . . . A 241 GLY HA2 . 34555 1 19 . 1 . 1 3 3 GLY HA3 H 1 3.765 0.00 . . . . . . A 241 GLY HA3 . 34555 1 20 . 1 . 1 3 3 GLY CA C 13 42.606 0.02 . . . . . . A 241 GLY CA . 34555 1 21 . 1 . 1 3 3 GLY N N 15 110.045 0.00 . . . . . . A 241 GLY N . 34555 1 22 . 1 . 1 4 4 ASN H H 1 8.599 0.00 . . . . . . A 242 ASN H . 34555 1 23 . 1 . 1 4 4 ASN HA H 1 4.941 0.01 . . . . . . A 242 ASN HA . 34555 1 24 . 1 . 1 4 4 ASN HB2 H 1 3.004 0.00 . . . . . . A 242 ASN HB2 . 34555 1 25 . 1 . 1 4 4 ASN HB3 H 1 2.604 0.00 . . . . . . A 242 ASN HB3 . 34555 1 26 . 1 . 1 4 4 ASN HD21 H 1 6.962 0.00 . . . . . . A 242 ASN HD21 . 34555 1 27 . 1 . 1 4 4 ASN HD22 H 1 7.761 0.00 . . . . . . A 242 ASN HD22 . 34555 1 28 . 1 . 1 4 4 ASN CA C 13 50.191 0.05 . . . . . . A 242 ASN CA . 34555 1 29 . 1 . 1 4 4 ASN CB C 13 37.579 0.03 . . . . . . A 242 ASN CB . 34555 1 30 . 1 . 1 4 4 ASN N N 15 118.163 0.00 . . . . . . A 242 ASN N . 34555 1 31 . 1 . 1 4 4 ASN ND2 N 15 115.266 0.00 . . . . . . A 242 ASN ND2 . 34555 1 32 . 1 . 1 5 5 LYS H H 1 8.034 0.01 . . . . . . A 243 LYS H . 34555 1 33 . 1 . 1 5 5 LYS HA H 1 4.282 0.00 . . . . . . A 243 LYS HA . 34555 1 34 . 1 . 1 5 5 LYS HB2 H 1 1.815 0.01 . . . . . . A 243 LYS HB2 . 34555 1 35 . 1 . 1 5 5 LYS HB3 H 1 1.815 0.01 . . . . . . A 243 LYS HB3 . 34555 1 36 . 1 . 1 5 5 LYS HG2 H 1 1.453 0.00 . . . . . . A 243 LYS HG2 . 34555 1 37 . 1 . 1 5 5 LYS HG3 H 1 1.347 0.01 . . . . . . A 243 LYS HG3 . 34555 1 38 . 1 . 1 5 5 LYS HD2 H 1 1.652 0.00 . . . . . . A 243 LYS HD2 . 34555 1 39 . 1 . 1 5 5 LYS HD3 H 1 1.517 0.00 . . . . . . A 243 LYS HD3 . 34555 1 40 . 1 . 1 5 5 LYS HE2 H 1 2.916 0.00 . . . . . . A 243 LYS HE2 . 34555 1 41 . 1 . 1 5 5 LYS HE3 H 1 2.776 0.00 . . . . . . A 243 LYS HE3 . 34555 1 42 . 1 . 1 5 5 LYS CA C 13 54.367 0.03 . . . . . . A 243 LYS CA . 34555 1 43 . 1 . 1 5 5 LYS CB C 13 30.360 0.04 . . . . . . A 243 LYS CB . 34555 1 44 . 1 . 1 5 5 LYS CG C 13 22.500 0.06 . . . . . . A 243 LYS CG . 34555 1 45 . 1 . 1 5 5 LYS CD C 13 26.588 0.15 . . . . . . A 243 LYS CD . 34555 1 46 . 1 . 1 5 5 LYS CE C 13 39.127 0.13 . . . . . . A 243 LYS CE . 34555 1 47 . 1 . 1 5 5 LYS N N 15 120.785 0.01 . . . . . . A 243 LYS N . 34555 1 48 . 1 . 1 6 6 ILE H H 1 8.997 0.00 . . . . . . A 244 ILE H . 34555 1 49 . 1 . 1 6 6 ILE HA H 1 4.145 0.01 . . . . . . A 244 ILE HA . 34555 1 50 . 1 . 1 6 6 ILE HB H 1 -0.081 0.00 . . . . . . A 244 ILE HB . 34555 1 51 . 1 . 1 6 6 ILE HG12 H 1 1.485 0.00 . . . . . . A 244 ILE HG12 . 34555 1 52 . 1 . 1 6 6 ILE HG13 H 1 0.383 0.00 . . . . . . A 244 ILE HG13 . 34555 1 53 . 1 . 1 6 6 ILE HG21 H 1 0.486 0.00 . . . . . . A 244 ILE HG21 . 34555 1 54 . 1 . 1 6 6 ILE HG22 H 1 0.486 0.00 . . . . . . A 244 ILE HG22 . 34555 1 55 . 1 . 1 6 6 ILE HG23 H 1 0.486 0.00 . . . . . . A 244 ILE HG23 . 34555 1 56 . 1 . 1 6 6 ILE HD11 H 1 0.703 0.00 . . . . . . A 244 ILE HD11 . 34555 1 57 . 1 . 1 6 6 ILE HD12 H 1 0.703 0.00 . . . . . . A 244 ILE HD12 . 34555 1 58 . 1 . 1 6 6 ILE HD13 H 1 0.703 0.00 . . . . . . A 244 ILE HD13 . 34555 1 59 . 1 . 1 6 6 ILE CA C 13 57.963 0.07 . . . . . . A 244 ILE CA . 34555 1 60 . 1 . 1 6 6 ILE CB C 13 36.287 0.04 . . . . . . A 244 ILE CB . 34555 1 61 . 1 . 1 6 6 ILE CG1 C 13 24.325 0.06 . . . . . . A 244 ILE CG1 . 34555 1 62 . 1 . 1 6 6 ILE CG2 C 13 18.479 0.06 . . . . . . A 244 ILE CG2 . 34555 1 63 . 1 . 1 6 6 ILE CD1 C 13 13.004 0.04 . . . . . . A 244 ILE CD1 . 34555 1 64 . 1 . 1 6 6 ILE N N 15 125.946 0.00 . . . . . . A 244 ILE N . 34555 1 65 . 1 . 1 7 7 TYR H H 1 8.947 0.01 . . . . . . A 245 TYR H . 34555 1 66 . 1 . 1 7 7 TYR HA H 1 5.149 0.01 . . . . . . A 245 TYR HA . 34555 1 67 . 1 . 1 7 7 TYR HB2 H 1 2.935 0.00 . . . . . . A 245 TYR HB2 . 34555 1 68 . 1 . 1 7 7 TYR HB3 H 1 2.777 0.00 . . . . . . A 245 TYR HB3 . 34555 1 69 . 1 . 1 7 7 TYR HD1 H 1 6.590 0.00 . . . . . . A 245 TYR HD1 . 34555 1 70 . 1 . 1 7 7 TYR HD2 H 1 6.590 0.00 . . . . . . A 245 TYR HD2 . 34555 1 71 . 1 . 1 7 7 TYR HE1 H 1 6.318 0.00 . . . . . . A 245 TYR HE1 . 34555 1 72 . 1 . 1 7 7 TYR HE2 H 1 6.318 0.00 . . . . . . A 245 TYR HE2 . 34555 1 73 . 1 . 1 7 7 TYR CA C 13 53.435 0.08 . . . . . . A 245 TYR CA . 34555 1 74 . 1 . 1 7 7 TYR CB C 13 38.577 0.14 . . . . . . A 245 TYR CB . 34555 1 75 . 1 . 1 7 7 TYR CD1 C 13 130.472 0.00 . . . . . . A 245 TYR CD1 . 34555 1 76 . 1 . 1 7 7 TYR CD2 C 13 130.472 0.00 . . . . . . A 245 TYR CD2 . 34555 1 77 . 1 . 1 7 7 TYR CE1 C 13 115.057 0.00 . . . . . . A 245 TYR CE1 . 34555 1 78 . 1 . 1 7 7 TYR CE2 C 13 115.057 0.00 . . . . . . A 245 TYR CE2 . 34555 1 79 . 1 . 1 7 7 TYR N N 15 126.723 0.00 . . . . . . A 245 TYR N . 34555 1 80 . 1 . 1 8 8 VAL H H 1 8.286 0.00 . . . . . . A 246 VAL H . 34555 1 81 . 1 . 1 8 8 VAL HA H 1 5.404 0.00 . . . . . . A 246 VAL HA . 34555 1 82 . 1 . 1 8 8 VAL HB H 1 1.969 0.01 . . . . . . A 246 VAL HB . 34555 1 83 . 1 . 1 8 8 VAL HG11 H 1 0.830 0.00 . . . . . . A 246 VAL HG11 . 34555 1 84 . 1 . 1 8 8 VAL HG12 H 1 0.830 0.00 . . . . . . A 246 VAL HG12 . 34555 1 85 . 1 . 1 8 8 VAL HG13 H 1 0.830 0.00 . . . . . . A 246 VAL HG13 . 34555 1 86 . 1 . 1 8 8 VAL HG21 H 1 0.837 0.00 . . . . . . A 246 VAL HG21 . 34555 1 87 . 1 . 1 8 8 VAL HG22 H 1 0.837 0.00 . . . . . . A 246 VAL HG22 . 34555 1 88 . 1 . 1 8 8 VAL HG23 H 1 0.837 0.00 . . . . . . A 246 VAL HG23 . 34555 1 89 . 1 . 1 8 8 VAL CA C 13 54.847 0.02 . . . . . . A 246 VAL CA . 34555 1 90 . 1 . 1 8 8 VAL CB C 13 31.237 0.05 . . . . . . A 246 VAL CB . 34555 1 91 . 1 . 1 8 8 VAL CG1 C 13 18.155 0.05 . . . . . . A 246 VAL CG1 . 34555 1 92 . 1 . 1 8 8 VAL CG2 C 13 20.547 0.05 . . . . . . A 246 VAL CG2 . 34555 1 93 . 1 . 1 8 8 VAL N N 15 124.030 0.00 . . . . . . A 246 VAL N . 34555 1 94 . 1 . 1 9 9 GLY H H 1 9.309 0.01 . . . . . . A 247 GLY H . 34555 1 95 . 1 . 1 9 9 GLY HA2 H 1 4.970 0.01 . . . . . . A 247 GLY HA2 . 34555 1 96 . 1 . 1 9 9 GLY HA3 H 1 3.606 0.00 . . . . . . A 247 GLY HA3 . 34555 1 97 . 1 . 1 9 9 GLY CA C 13 40.140 0.02 . . . . . . A 247 GLY CA . 34555 1 98 . 1 . 1 9 9 GLY N N 15 113.152 0.00 . . . . . . A 247 GLY N . 34555 1 99 . 1 . 1 10 10 GLY H H 1 7.970 0.00 . . . . . . A 248 GLY H . 34555 1 100 . 1 . 1 10 10 GLY HA2 H 1 4.380 0.00 . . . . . . A 248 GLY HA2 . 34555 1 101 . 1 . 1 10 10 GLY HA3 H 1 3.557 0.00 . . . . . . A 248 GLY HA3 . 34555 1 102 . 1 . 1 10 10 GLY CA C 13 42.538 0.03 . . . . . . A 248 GLY CA . 34555 1 103 . 1 . 1 10 10 GLY N N 15 106.951 0.01 . . . . . . A 248 GLY N . 34555 1 104 . 1 . 1 11 11 LEU H H 1 7.866 0.00 . . . . . . A 249 LEU H . 34555 1 105 . 1 . 1 11 11 LEU HA H 1 3.902 0.00 . . . . . . A 249 LEU HA . 34555 1 106 . 1 . 1 11 11 LEU HB2 H 1 1.163 0.00 . . . . . . A 249 LEU HB2 . 34555 1 107 . 1 . 1 11 11 LEU HB3 H 1 0.926 0.00 . . . . . . A 249 LEU HB3 . 34555 1 108 . 1 . 1 11 11 LEU HG H 1 0.363 0.00 . . . . . . A 249 LEU HG . 34555 1 109 . 1 . 1 11 11 LEU HD21 H 1 0.515 0.00 . . . . . . A 249 LEU HD21 . 34555 1 110 . 1 . 1 11 11 LEU HD22 H 1 0.515 0.00 . . . . . . A 249 LEU HD22 . 34555 1 111 . 1 . 1 11 11 LEU HD23 H 1 0.515 0.00 . . . . . . A 249 LEU HD23 . 34555 1 112 . 1 . 1 11 11 LEU CA C 13 50.187 0.03 . . . . . . A 249 LEU CA . 34555 1 113 . 1 . 1 11 11 LEU CB C 13 39.329 0.06 . . . . . . A 249 LEU CB . 34555 1 114 . 1 . 1 11 11 LEU CG C 13 23.626 0.04 . . . . . . A 249 LEU CG . 34555 1 115 . 1 . 1 11 11 LEU CD2 C 13 20.412 0.05 . . . . . . A 249 LEU CD2 . 34555 1 116 . 1 . 1 11 11 LEU N N 15 117.332 0.00 . . . . . . A 249 LEU N . 34555 1 117 . 1 . 1 12 12 PRO HA H 1 4.502 0.00 . . . . . . A 250 PRO HA . 34555 1 118 . 1 . 1 12 12 PRO HB2 H 1 2.433 0.00 . . . . . . A 250 PRO HB2 . 34555 1 119 . 1 . 1 12 12 PRO HB3 H 1 1.905 0.00 . . . . . . A 250 PRO HB3 . 34555 1 120 . 1 . 1 12 12 PRO HG2 H 1 1.995 0.00 . . . . . . A 250 PRO HG2 . 34555 1 121 . 1 . 1 12 12 PRO HG3 H 1 1.995 0.00 . . . . . . A 250 PRO HG3 . 34555 1 122 . 1 . 1 12 12 PRO HD2 H 1 3.826 0.00 . . . . . . A 250 PRO HD2 . 34555 1 123 . 1 . 1 12 12 PRO HD3 H 1 3.279 0.00 . . . . . . A 250 PRO HD3 . 34555 1 124 . 1 . 1 12 12 PRO CA C 13 60.275 0.02 . . . . . . A 250 PRO CA . 34555 1 125 . 1 . 1 12 12 PRO CB C 13 29.142 0.05 . . . . . . A 250 PRO CB . 34555 1 126 . 1 . 1 12 12 PRO CG C 13 25.310 0.10 . . . . . . A 250 PRO CG . 34555 1 127 . 1 . 1 12 12 PRO CD C 13 47.637 0.01 . . . . . . A 250 PRO CD . 34555 1 128 . 1 . 1 13 13 THR H H 1 8.466 0.00 . . . . . . A 251 THR H . 34555 1 129 . 1 . 1 13 13 THR HA H 1 4.159 0.00 . . . . . . A 251 THR HA . 34555 1 130 . 1 . 1 13 13 THR HB H 1 4.602 0.00 . . . . . . A 251 THR HB . 34555 1 131 . 1 . 1 13 13 THR HG21 H 1 1.153 0.00 . . . . . . A 251 THR HG21 . 34555 1 132 . 1 . 1 13 13 THR HG22 H 1 1.153 0.00 . . . . . . A 251 THR HG22 . 34555 1 133 . 1 . 1 13 13 THR HG23 H 1 1.153 0.00 . . . . . . A 251 THR HG23 . 34555 1 134 . 1 . 1 13 13 THR CA C 13 60.187 0.03 . . . . . . A 251 THR CA . 34555 1 135 . 1 . 1 13 13 THR CB C 13 66.224 0.05 . . . . . . A 251 THR CB . 34555 1 136 . 1 . 1 13 13 THR CG2 C 13 19.316 0.08 . . . . . . A 251 THR CG2 . 34555 1 137 . 1 . 1 13 13 THR N N 15 117.402 0.00 . . . . . . A 251 THR N . 34555 1 138 . 1 . 1 14 14 CYS H H 1 7.579 0.00 . . . . . . A 252 CYS H . 34555 1 139 . 1 . 1 14 14 CYS HA H 1 4.545 0.00 . . . . . . A 252 CYS HA . 34555 1 140 . 1 . 1 14 14 CYS HB2 H 1 3.165 0.00 . . . . . . A 252 CYS HB2 . 34555 1 141 . 1 . 1 14 14 CYS HB3 H 1 2.836 0.00 . . . . . . A 252 CYS HB3 . 34555 1 142 . 1 . 1 14 14 CYS CA C 13 54.016 0.01 . . . . . . A 252 CYS CA . 34555 1 143 . 1 . 1 14 14 CYS CB C 13 25.303 0.02 . . . . . . A 252 CYS CB . 34555 1 144 . 1 . 1 14 14 CYS N N 15 113.699 0.00 . . . . . . A 252 CYS N . 34555 1 145 . 1 . 1 15 15 LEU H H 1 6.859 0.00 . . . . . . A 253 LEU H . 34555 1 146 . 1 . 1 15 15 LEU HA H 1 4.465 0.00 . . . . . . A 253 LEU HA . 34555 1 147 . 1 . 1 15 15 LEU HB2 H 1 1.335 0.00 . . . . . . A 253 LEU HB2 . 34555 1 148 . 1 . 1 15 15 LEU HB3 H 1 1.335 0.00 . . . . . . A 253 LEU HB3 . 34555 1 149 . 1 . 1 15 15 LEU HG H 1 0.719 0.00 . . . . . . A 253 LEU HG . 34555 1 150 . 1 . 1 15 15 LEU HD21 H 1 0.665 0.00 . . . . . . A 253 LEU HD21 . 34555 1 151 . 1 . 1 15 15 LEU HD22 H 1 0.665 0.00 . . . . . . A 253 LEU HD22 . 34555 1 152 . 1 . 1 15 15 LEU HD23 H 1 0.665 0.00 . . . . . . A 253 LEU HD23 . 34555 1 153 . 1 . 1 15 15 LEU CA C 13 52.285 0.20 . . . . . . A 253 LEU CA . 34555 1 154 . 1 . 1 15 15 LEU CB C 13 40.047 0.08 . . . . . . A 253 LEU CB . 34555 1 155 . 1 . 1 15 15 LEU CG C 13 23.813 0.10 . . . . . . A 253 LEU CG . 34555 1 156 . 1 . 1 15 15 LEU CD2 C 13 19.390 0.04 . . . . . . A 253 LEU CD2 . 34555 1 157 . 1 . 1 15 15 LEU N N 15 120.631 0.00 . . . . . . A 253 LEU N . 34555 1 158 . 1 . 1 16 16 ASN H H 1 8.632 0.00 . . . . . . A 254 ASN H . 34555 1 159 . 1 . 1 16 16 ASN HA H 1 4.783 0.00 . . . . . . A 254 ASN HA . 34555 1 160 . 1 . 1 16 16 ASN HB2 H 1 3.261 0.00 . . . . . . A 254 ASN HB2 . 34555 1 161 . 1 . 1 16 16 ASN HB3 H 1 2.853 0.00 . . . . . . A 254 ASN HB3 . 34555 1 162 . 1 . 1 16 16 ASN HD21 H 1 6.983 0.00 . . . . . . A 254 ASN HD21 . 34555 1 163 . 1 . 1 16 16 ASN HD22 H 1 7.398 0.00 . . . . . . A 254 ASN HD22 . 34555 1 164 . 1 . 1 16 16 ASN CA C 13 47.645 0.08 . . . . . . A 254 ASN CA . 34555 1 165 . 1 . 1 16 16 ASN CB C 13 36.941 0.09 . . . . . . A 254 ASN CB . 34555 1 166 . 1 . 1 16 16 ASN N N 15 119.659 0.01 . . . . . . A 254 ASN N . 34555 1 167 . 1 . 1 16 16 ASN ND2 N 15 111.589 0.00 . . . . . . A 254 ASN ND2 . 34555 1 168 . 1 . 1 17 17 GLN H H 1 8.636 0.00 . . . . . . A 255 GLN H . 34555 1 169 . 1 . 1 17 17 GLN HA H 1 3.630 0.00 . . . . . . A 255 GLN HA . 34555 1 170 . 1 . 1 17 17 GLN HB2 H 1 2.113 0.00 . . . . . . A 255 GLN HB2 . 34555 1 171 . 1 . 1 17 17 GLN HB3 H 1 2.026 0.00 . . . . . . A 255 GLN HB3 . 34555 1 172 . 1 . 1 17 17 GLN HG2 H 1 2.403 0.00 . . . . . . A 255 GLN HG2 . 34555 1 173 . 1 . 1 17 17 GLN HG3 H 1 2.160 0.00 . . . . . . A 255 GLN HG3 . 34555 1 174 . 1 . 1 17 17 GLN HE21 H 1 6.853 0.00 . . . . . . A 255 GLN HE21 . 34555 1 175 . 1 . 1 17 17 GLN HE22 H 1 7.532 0.00 . . . . . . A 255 GLN HE22 . 34555 1 176 . 1 . 1 17 17 GLN CA C 13 57.757 0.02 . . . . . . A 255 GLN CA . 34555 1 177 . 1 . 1 17 17 GLN CB C 13 25.769 0.06 . . . . . . A 255 GLN CB . 34555 1 178 . 1 . 1 17 17 GLN CG C 13 31.611 0.02 . . . . . . A 255 GLN CG . 34555 1 179 . 1 . 1 17 17 GLN N N 15 116.732 0.01 . . . . . . A 255 GLN N . 34555 1 180 . 1 . 1 17 17 GLN NE2 N 15 111.450 0.00 . . . . . . A 255 GLN NE2 . 34555 1 181 . 1 . 1 18 18 ASP H H 1 7.944 0.00 . . . . . . A 256 ASP H . 34555 1 182 . 1 . 1 18 18 ASP HA H 1 4.306 0.00 . . . . . . A 256 ASP HA . 34555 1 183 . 1 . 1 18 18 ASP HB2 H 1 2.635 0.00 . . . . . . A 256 ASP HB2 . 34555 1 184 . 1 . 1 18 18 ASP HB3 H 1 2.635 0.00 . . . . . . A 256 ASP HB3 . 34555 1 185 . 1 . 1 18 18 ASP CA C 13 55.128 0.07 . . . . . . A 256 ASP CA . 34555 1 186 . 1 . 1 18 18 ASP CB C 13 37.427 0.02 . . . . . . A 256 ASP CB . 34555 1 187 . 1 . 1 18 18 ASP N N 15 119.743 0.01 . . . . . . A 256 ASP N . 34555 1 188 . 1 . 1 19 19 GLN H H 1 8.248 0.00 . . . . . . A 257 GLN H . 34555 1 189 . 1 . 1 19 19 GLN HA H 1 4.023 0.00 . . . . . . A 257 GLN HA . 34555 1 190 . 1 . 1 19 19 GLN HB2 H 1 2.231 0.00 . . . . . . A 257 GLN HB2 . 34555 1 191 . 1 . 1 19 19 GLN HB3 H 1 1.843 0.00 . . . . . . A 257 GLN HB3 . 34555 1 192 . 1 . 1 19 19 GLN HG2 H 1 2.580 0.00 . . . . . . A 257 GLN HG2 . 34555 1 193 . 1 . 1 19 19 GLN HG3 H 1 2.345 0.00 . . . . . . A 257 GLN HG3 . 34555 1 194 . 1 . 1 19 19 GLN HE21 H 1 6.573 0.00 . . . . . . A 257 GLN HE21 . 34555 1 195 . 1 . 1 19 19 GLN HE22 H 1 7.476 0.00 . . . . . . A 257 GLN HE22 . 34555 1 196 . 1 . 1 19 19 GLN CA C 13 55.904 0.03 . . . . . . A 257 GLN CA . 34555 1 197 . 1 . 1 19 19 GLN CB C 13 27.088 0.05 . . . . . . A 257 GLN CB . 34555 1 198 . 1 . 1 19 19 GLN CG C 13 31.900 0.03 . . . . . . A 257 GLN CG . 34555 1 199 . 1 . 1 19 19 GLN N N 15 119.990 0.00 . . . . . . A 257 GLN N . 34555 1 200 . 1 . 1 19 19 GLN NE2 N 15 110.963 0.00 . . . . . . A 257 GLN NE2 . 34555 1 201 . 1 . 1 20 20 VAL H H 1 8.122 0.00 . . . . . . A 258 VAL H . 34555 1 202 . 1 . 1 20 20 VAL HA H 1 3.365 0.00 . . . . . . A 258 VAL HA . 34555 1 203 . 1 . 1 20 20 VAL HB H 1 1.860 0.00 . . . . . . A 258 VAL HB . 34555 1 204 . 1 . 1 20 20 VAL HG11 H 1 0.585 0.01 . . . . . . A 258 VAL HG11 . 34555 1 205 . 1 . 1 20 20 VAL HG12 H 1 0.585 0.01 . . . . . . A 258 VAL HG12 . 34555 1 206 . 1 . 1 20 20 VAL HG13 H 1 0.585 0.01 . . . . . . A 258 VAL HG13 . 34555 1 207 . 1 . 1 20 20 VAL HG21 H 1 0.813 0.01 . . . . . . A 258 VAL HG21 . 34555 1 208 . 1 . 1 20 20 VAL HG22 H 1 0.813 0.01 . . . . . . A 258 VAL HG22 . 34555 1 209 . 1 . 1 20 20 VAL HG23 H 1 0.813 0.01 . . . . . . A 258 VAL HG23 . 34555 1 210 . 1 . 1 20 20 VAL CA C 13 64.342 0.01 . . . . . . A 258 VAL CA . 34555 1 211 . 1 . 1 20 20 VAL CB C 13 28.504 0.05 . . . . . . A 258 VAL CB . 34555 1 212 . 1 . 1 20 20 VAL CG1 C 13 19.472 0.15 . . . . . . A 258 VAL CG1 . 34555 1 213 . 1 . 1 20 20 VAL CG2 C 13 22.333 0.19 . . . . . . A 258 VAL CG2 . 34555 1 214 . 1 . 1 20 20 VAL N N 15 120.595 0.01 . . . . . . A 258 VAL N . 34555 1 215 . 1 . 1 21 21 LYS H H 1 8.450 0.00 . . . . . . A 259 LYS H . 34555 1 216 . 1 . 1 21 21 LYS HA H 1 3.464 0.00 . . . . . . A 259 LYS HA . 34555 1 217 . 1 . 1 21 21 LYS HB2 H 1 1.933 0.00 . . . . . . A 259 LYS HB2 . 34555 1 218 . 1 . 1 21 21 LYS HB3 H 1 1.762 0.00 . . . . . . A 259 LYS HB3 . 34555 1 219 . 1 . 1 21 21 LYS HG2 H 1 1.305 0.00 . . . . . . A 259 LYS HG2 . 34555 1 220 . 1 . 1 21 21 LYS HG3 H 1 1.178 0.00 . . . . . . A 259 LYS HG3 . 34555 1 221 . 1 . 1 21 21 LYS HD2 H 1 1.659 0.00 . . . . . . A 259 LYS HD2 . 34555 1 222 . 1 . 1 21 21 LYS HD3 H 1 1.659 0.00 . . . . . . A 259 LYS HD3 . 34555 1 223 . 1 . 1 21 21 LYS HE2 H 1 2.925 0.00 . . . . . . A 259 LYS HE2 . 34555 1 224 . 1 . 1 21 21 LYS HE3 H 1 2.925 0.00 . . . . . . A 259 LYS HE3 . 34555 1 225 . 1 . 1 21 21 LYS CA C 13 58.153 0.02 . . . . . . A 259 LYS CA . 34555 1 226 . 1 . 1 21 21 LYS CB C 13 29.195 0.06 . . . . . . A 259 LYS CB . 34555 1 227 . 1 . 1 21 21 LYS CG C 13 22.533 0.07 . . . . . . A 259 LYS CG . 34555 1 228 . 1 . 1 21 21 LYS CD C 13 26.890 0.04 . . . . . . A 259 LYS CD . 34555 1 229 . 1 . 1 21 21 LYS CE C 13 38.093 0.01 . . . . . . A 259 LYS CE . 34555 1 230 . 1 . 1 21 21 LYS N N 15 120.526 0.02 . . . . . . A 259 LYS N . 34555 1 231 . 1 . 1 22 22 GLU H H 1 7.744 0.00 . . . . . . A 260 GLU H . 34555 1 232 . 1 . 1 22 22 GLU HA H 1 3.866 0.00 . . . . . . A 260 GLU HA . 34555 1 233 . 1 . 1 22 22 GLU HB2 H 1 2.060 0.00 . . . . . . A 260 GLU HB2 . 34555 1 234 . 1 . 1 22 22 GLU HB3 H 1 1.990 0.00 . . . . . . A 260 GLU HB3 . 34555 1 235 . 1 . 1 22 22 GLU HG2 H 1 2.328 0.00 . . . . . . A 260 GLU HG2 . 34555 1 236 . 1 . 1 22 22 GLU HG3 H 1 2.192 0.00 . . . . . . A 260 GLU HG3 . 34555 1 237 . 1 . 1 22 22 GLU CA C 13 56.737 0.02 . . . . . . A 260 GLU CA . 34555 1 238 . 1 . 1 22 22 GLU CB C 13 26.909 0.20 . . . . . . A 260 GLU CB . 34555 1 239 . 1 . 1 22 22 GLU CG C 13 33.496 0.03 . . . . . . A 260 GLU CG . 34555 1 240 . 1 . 1 22 22 GLU N N 15 116.624 0.01 . . . . . . A 260 GLU N . 34555 1 241 . 1 . 1 23 23 LEU H H 1 7.150 0.00 . . . . . . A 261 LEU H . 34555 1 242 . 1 . 1 23 23 LEU HA H 1 4.109 0.00 . . . . . . A 261 LEU HA . 34555 1 243 . 1 . 1 23 23 LEU HB2 H 1 1.848 0.00 . . . . . . A 261 LEU HB2 . 34555 1 244 . 1 . 1 23 23 LEU HB3 H 1 1.612 0.00 . . . . . . A 261 LEU HB3 . 34555 1 245 . 1 . 1 23 23 LEU HG H 1 1.453 0.00 . . . . . . A 261 LEU HG . 34555 1 246 . 1 . 1 23 23 LEU HD11 H 1 0.837 0.00 . . . . . . A 261 LEU HD11 . 34555 1 247 . 1 . 1 23 23 LEU HD12 H 1 0.837 0.00 . . . . . . A 261 LEU HD12 . 34555 1 248 . 1 . 1 23 23 LEU HD13 H 1 0.837 0.00 . . . . . . A 261 LEU HD13 . 34555 1 249 . 1 . 1 23 23 LEU HD21 H 1 0.885 0.01 . . . . . . A 261 LEU HD21 . 34555 1 250 . 1 . 1 23 23 LEU HD22 H 1 0.885 0.01 . . . . . . A 261 LEU HD22 . 34555 1 251 . 1 . 1 23 23 LEU HD23 H 1 0.885 0.01 . . . . . . A 261 LEU HD23 . 34555 1 252 . 1 . 1 23 23 LEU CA C 13 55.025 0.01 . . . . . . A 261 LEU CA . 34555 1 253 . 1 . 1 23 23 LEU CB C 13 39.624 0.04 . . . . . . A 261 LEU CB . 34555 1 254 . 1 . 1 23 23 LEU CG C 13 24.312 0.06 . . . . . . A 261 LEU CG . 34555 1 255 . 1 . 1 23 23 LEU CD1 C 13 20.807 0.03 . . . . . . A 261 LEU CD1 . 34555 1 256 . 1 . 1 23 23 LEU CD2 C 13 22.317 0.11 . . . . . . A 261 LEU CD2 . 34555 1 257 . 1 . 1 23 23 LEU N N 15 118.545 0.02 . . . . . . A 261 LEU N . 34555 1 258 . 1 . 1 24 24 LEU H H 1 7.870 0.00 . . . . . . A 262 LEU H . 34555 1 259 . 1 . 1 24 24 LEU HA H 1 4.130 0.01 . . . . . . A 262 LEU HA . 34555 1 260 . 1 . 1 24 24 LEU HB2 H 1 1.461 0.00 . . . . . . A 262 LEU HB2 . 34555 1 261 . 1 . 1 24 24 LEU HB3 H 1 1.072 0.00 . . . . . . A 262 LEU HB3 . 34555 1 262 . 1 . 1 24 24 LEU HG H 1 1.657 0.00 . . . . . . A 262 LEU HG . 34555 1 263 . 1 . 1 24 24 LEU HD11 H 1 -0.419 0.00 . . . . . . A 262 LEU HD11 . 34555 1 264 . 1 . 1 24 24 LEU HD12 H 1 -0.419 0.00 . . . . . . A 262 LEU HD12 . 34555 1 265 . 1 . 1 24 24 LEU HD13 H 1 -0.419 0.00 . . . . . . A 262 LEU HD13 . 34555 1 266 . 1 . 1 24 24 LEU HD21 H 1 0.155 0.00 . . . . . . A 262 LEU HD21 . 34555 1 267 . 1 . 1 24 24 LEU HD22 H 1 0.155 0.00 . . . . . . A 262 LEU HD22 . 34555 1 268 . 1 . 1 24 24 LEU HD23 H 1 0.155 0.00 . . . . . . A 262 LEU HD23 . 34555 1 269 . 1 . 1 24 24 LEU CA C 13 54.440 0.06 . . . . . . A 262 LEU CA . 34555 1 270 . 1 . 1 24 24 LEU CB C 13 38.671 0.04 . . . . . . A 262 LEU CB . 34555 1 271 . 1 . 1 24 24 LEU CG C 13 22.535 0.06 . . . . . . A 262 LEU CG . 34555 1 272 . 1 . 1 24 24 LEU CD1 C 13 22.123 0.06 . . . . . . A 262 LEU CD1 . 34555 1 273 . 1 . 1 24 24 LEU CD2 C 13 18.432 0.04 . . . . . . A 262 LEU CD2 . 34555 1 274 . 1 . 1 24 24 LEU N N 15 116.080 0.00 . . . . . . A 262 LEU N . 34555 1 275 . 1 . 1 25 25 GLN H H 1 8.950 0.00 . . . . . . A 263 GLN H . 34555 1 276 . 1 . 1 25 25 GLN HA H 1 5.302 0.00 . . . . . . A 263 GLN HA . 34555 1 277 . 1 . 1 25 25 GLN HB2 H 1 2.273 0.00 . . . . . . A 263 GLN HB2 . 34555 1 278 . 1 . 1 25 25 GLN HB3 H 1 2.123 0.00 . . . . . . A 263 GLN HB3 . 34555 1 279 . 1 . 1 25 25 GLN HG2 H 1 2.715 0.00 . . . . . . A 263 GLN HG2 . 34555 1 280 . 1 . 1 25 25 GLN HG3 H 1 2.561 0.00 . . . . . . A 263 GLN HG3 . 34555 1 281 . 1 . 1 25 25 GLN HE21 H 1 6.922 0.00 . . . . . . A 263 GLN HE21 . 34555 1 282 . 1 . 1 25 25 GLN HE22 H 1 7.451 0.00 . . . . . . A 263 GLN HE22 . 34555 1 283 . 1 . 1 25 25 GLN CA C 13 53.995 0.02 . . . . . . A 263 GLN CA . 34555 1 284 . 1 . 1 25 25 GLN CB C 13 24.575 0.05 . . . . . . A 263 GLN CB . 34555 1 285 . 1 . 1 25 25 GLN CG C 13 31.976 0.07 . . . . . . A 263 GLN CG . 34555 1 286 . 1 . 1 25 25 GLN N N 15 118.220 0.06 . . . . . . A 263 GLN N . 34555 1 287 . 1 . 1 25 25 GLN NE2 N 15 110.179 0.00 . . . . . . A 263 GLN NE2 . 34555 1 288 . 1 . 1 26 26 SER H H 1 7.415 0.01 . . . . . . A 264 SER H . 34555 1 289 . 1 . 1 26 26 SER HA H 1 4.081 0.00 . . . . . . A 264 SER HA . 34555 1 290 . 1 . 1 26 26 SER HB2 H 1 3.639 0.00 . . . . . . A 264 SER HB2 . 34555 1 291 . 1 . 1 26 26 SER HB3 H 1 3.563 0.00 . . . . . . A 264 SER HB3 . 34555 1 292 . 1 . 1 26 26 SER CA C 13 58.405 0.08 . . . . . . A 264 SER CA . 34555 1 293 . 1 . 1 26 26 SER CB C 13 59.778 0.09 . . . . . . A 264 SER CB . 34555 1 294 . 1 . 1 26 26 SER N N 15 116.647 0.01 . . . . . . A 264 SER N . 34555 1 295 . 1 . 1 27 27 PHE H H 1 6.897 0.00 . . . . . . A 265 PHE H . 34555 1 296 . 1 . 1 27 27 PHE HA H 1 4.300 0.00 . . . . . . A 265 PHE HA . 34555 1 297 . 1 . 1 27 27 PHE HB2 H 1 3.028 0.00 . . . . . . A 265 PHE HB2 . 34555 1 298 . 1 . 1 27 27 PHE HB3 H 1 2.661 0.00 . . . . . . A 265 PHE HB3 . 34555 1 299 . 1 . 1 27 27 PHE HD1 H 1 7.195 0.00 . . . . . . A 265 PHE HD1 . 34555 1 300 . 1 . 1 27 27 PHE HD2 H 1 7.195 0.00 . . . . . . A 265 PHE HD2 . 34555 1 301 . 1 . 1 27 27 PHE HE1 H 1 7.258 0.00 . . . . . . A 265 PHE HE1 . 34555 1 302 . 1 . 1 27 27 PHE HE2 H 1 7.258 0.00 . . . . . . A 265 PHE HE2 . 34555 1 303 . 1 . 1 27 27 PHE CA C 13 56.548 0.03 . . . . . . A 265 PHE CA . 34555 1 304 . 1 . 1 27 27 PHE CB C 13 37.223 0.03 . . . . . . A 265 PHE CB . 34555 1 305 . 1 . 1 27 27 PHE CD1 C 13 128.833 0.00 . . . . . . A 265 PHE CD1 . 34555 1 306 . 1 . 1 27 27 PHE CD2 C 13 128.833 0.00 . . . . . . A 265 PHE CD2 . 34555 1 307 . 1 . 1 27 27 PHE CE1 C 13 128.854 0.00 . . . . . . A 265 PHE CE1 . 34555 1 308 . 1 . 1 27 27 PHE CE2 C 13 128.854 0.00 . . . . . . A 265 PHE CE2 . 34555 1 309 . 1 . 1 27 27 PHE N N 15 115.148 0.01 . . . . . . A 265 PHE N . 34555 1 310 . 1 . 1 28 28 GLY H H 1 7.316 0.00 . . . . . . A 266 GLY H . 34555 1 311 . 1 . 1 28 28 GLY HA2 H 1 4.273 0.00 . . . . . . A 266 GLY HA2 . 34555 1 312 . 1 . 1 28 28 GLY HA3 H 1 3.862 0.00 . . . . . . A 266 GLY HA3 . 34555 1 313 . 1 . 1 28 28 GLY CA C 13 41.782 0.03 . . . . . . A 266 GLY CA . 34555 1 314 . 1 . 1 28 28 GLY N N 15 106.959 0.03 . . . . . . A 266 GLY N . 34555 1 315 . 1 . 1 29 29 GLU H H 1 8.070 0.00 . . . . . . A 267 GLU H . 34555 1 316 . 1 . 1 29 29 GLU HA H 1 4.235 0.00 . . . . . . A 267 GLU HA . 34555 1 317 . 1 . 1 29 29 GLU HB2 H 1 2.002 0.00 . . . . . . A 267 GLU HB2 . 34555 1 318 . 1 . 1 29 29 GLU HB3 H 1 2.002 0.00 . . . . . . A 267 GLU HB3 . 34555 1 319 . 1 . 1 29 29 GLU HG2 H 1 2.390 0.00 . . . . . . A 267 GLU HG2 . 34555 1 320 . 1 . 1 29 29 GLU HG3 H 1 2.205 0.01 . . . . . . A 267 GLU HG3 . 34555 1 321 . 1 . 1 29 29 GLU CA C 13 54.688 0.02 . . . . . . A 267 GLU CA . 34555 1 322 . 1 . 1 29 29 GLU CB C 13 27.724 0.11 . . . . . . A 267 GLU CB . 34555 1 323 . 1 . 1 29 29 GLU CG C 13 33.516 0.11 . . . . . . A 267 GLU CG . 34555 1 324 . 1 . 1 29 29 GLU N N 15 117.332 0.00 . . . . . . A 267 GLU N . 34555 1 325 . 1 . 1 30 30 LEU H H 1 9.271 0.00 . . . . . . A 268 LEU H . 34555 1 326 . 1 . 1 30 30 LEU HA H 1 4.515 0.01 . . . . . . A 268 LEU HA . 34555 1 327 . 1 . 1 30 30 LEU HB2 H 1 1.747 0.01 . . . . . . A 268 LEU HB2 . 34555 1 328 . 1 . 1 30 30 LEU HB3 H 1 1.266 0.00 . . . . . . A 268 LEU HB3 . 34555 1 329 . 1 . 1 30 30 LEU HG H 1 0.836 0.00 . . . . . . A 268 LEU HG . 34555 1 330 . 1 . 1 30 30 LEU HD11 H 1 0.496 0.00 . . . . . . A 268 LEU HD11 . 34555 1 331 . 1 . 1 30 30 LEU HD12 H 1 0.496 0.00 . . . . . . A 268 LEU HD12 . 34555 1 332 . 1 . 1 30 30 LEU HD13 H 1 0.496 0.00 . . . . . . A 268 LEU HD13 . 34555 1 333 . 1 . 1 30 30 LEU CA C 13 52.596 0.06 . . . . . . A 268 LEU CA . 34555 1 334 . 1 . 1 30 30 LEU CB C 13 40.016 0.03 . . . . . . A 268 LEU CB . 34555 1 335 . 1 . 1 30 30 LEU CG C 13 24.501 0.04 . . . . . . A 268 LEU CG . 34555 1 336 . 1 . 1 30 30 LEU CD1 C 13 22.144 0.04 . . . . . . A 268 LEU CD1 . 34555 1 337 . 1 . 1 30 30 LEU N N 15 127.061 0.02 . . . . . . A 268 LEU N . 34555 1 338 . 1 . 1 31 31 LYS H H 1 9.378 0.00 . . . . . . A 269 LYS H . 34555 1 339 . 1 . 1 31 31 LYS HA H 1 4.174 0.01 . . . . . . A 269 LYS HA . 34555 1 340 . 1 . 1 31 31 LYS HB2 H 1 1.539 0.00 . . . . . . A 269 LYS HB2 . 34555 1 341 . 1 . 1 31 31 LYS HB3 H 1 1.333 0.00 . . . . . . A 269 LYS HB3 . 34555 1 342 . 1 . 1 31 31 LYS HG2 H 1 1.335 0.00 . . . . . . A 269 LYS HG2 . 34555 1 343 . 1 . 1 31 31 LYS HG3 H 1 1.282 0.00 . . . . . . A 269 LYS HG3 . 34555 1 344 . 1 . 1 31 31 LYS HD2 H 1 1.596 0.01 . . . . . . A 269 LYS HD2 . 34555 1 345 . 1 . 1 31 31 LYS HD3 H 1 1.504 0.00 . . . . . . A 269 LYS HD3 . 34555 1 346 . 1 . 1 31 31 LYS HE2 H 1 2.924 0.00 . . . . . . A 269 LYS HE2 . 34555 1 347 . 1 . 1 31 31 LYS HE3 H 1 2.924 0.00 . . . . . . A 269 LYS HE3 . 34555 1 348 . 1 . 1 31 31 LYS CA C 13 54.022 0.07 . . . . . . A 269 LYS CA . 34555 1 349 . 1 . 1 31 31 LYS CB C 13 31.782 0.04 . . . . . . A 269 LYS CB . 34555 1 350 . 1 . 1 31 31 LYS CG C 13 22.058 0.04 . . . . . . A 269 LYS CG . 34555 1 351 . 1 . 1 31 31 LYS CD C 13 27.030 0.04 . . . . . . A 269 LYS CD . 34555 1 352 . 1 . 1 31 31 LYS CE C 13 39.400 0.04 . . . . . . A 269 LYS CE . 34555 1 353 . 1 . 1 31 31 LYS N N 15 125.512 0.00 . . . . . . A 269 LYS N . 34555 1 354 . 1 . 1 32 32 GLY H H 1 7.534 0.01 . . . . . . A 270 GLY H . 34555 1 355 . 1 . 1 32 32 GLY HA2 H 1 4.144 0.00 . . . . . . A 270 GLY HA2 . 34555 1 356 . 1 . 1 32 32 GLY HA3 H 1 3.841 0.00 . . . . . . A 270 GLY HA3 . 34555 1 357 . 1 . 1 32 32 GLY CA C 13 42.721 0.05 . . . . . . A 270 GLY CA . 34555 1 358 . 1 . 1 32 32 GLY N N 15 104.977 0.00 . . . . . . A 270 GLY N . 34555 1 359 . 1 . 1 33 33 LEU H H 1 8.084 0.00 . . . . . . A 271 LEU H . 34555 1 360 . 1 . 1 33 33 LEU HA H 1 4.792 0.01 . . . . . . A 271 LEU HA . 34555 1 361 . 1 . 1 33 33 LEU HB2 H 1 1.678 0.00 . . . . . . A 271 LEU HB2 . 34555 1 362 . 1 . 1 33 33 LEU HB3 H 1 1.410 0.00 . . . . . . A 271 LEU HB3 . 34555 1 363 . 1 . 1 33 33 LEU HG H 1 1.397 0.00 . . . . . . A 271 LEU HG . 34555 1 364 . 1 . 1 33 33 LEU HD11 H 1 0.624 0.00 . . . . . . A 271 LEU HD11 . 34555 1 365 . 1 . 1 33 33 LEU HD12 H 1 0.624 0.00 . . . . . . A 271 LEU HD12 . 34555 1 366 . 1 . 1 33 33 LEU HD13 H 1 0.624 0.00 . . . . . . A 271 LEU HD13 . 34555 1 367 . 1 . 1 33 33 LEU HD21 H 1 0.709 0.00 . . . . . . A 271 LEU HD21 . 34555 1 368 . 1 . 1 33 33 LEU HD22 H 1 0.709 0.00 . . . . . . A 271 LEU HD22 . 34555 1 369 . 1 . 1 33 33 LEU HD23 H 1 0.709 0.00 . . . . . . A 271 LEU HD23 . 34555 1 370 . 1 . 1 33 33 LEU CA C 13 52.457 0.02 . . . . . . A 271 LEU CA . 34555 1 371 . 1 . 1 33 33 LEU CB C 13 41.967 0.03 . . . . . . A 271 LEU CB . 34555 1 372 . 1 . 1 33 33 LEU CG C 13 24.872 0.13 . . . . . . A 271 LEU CG . 34555 1 373 . 1 . 1 33 33 LEU CD1 C 13 21.576 0.02 . . . . . . A 271 LEU CD1 . 34555 1 374 . 1 . 1 33 33 LEU CD2 C 13 23.893 0.10 . . . . . . A 271 LEU CD2 . 34555 1 375 . 1 . 1 33 33 LEU N N 15 120.552 0.00 . . . . . . A 271 LEU N . 34555 1 376 . 1 . 1 34 34 ASN H H 1 9.474 0.01 . . . . . . A 272 ASN H . 34555 1 377 . 1 . 1 34 34 ASN HA H 1 5.016 0.00 . . . . . . A 272 ASN HA . 34555 1 378 . 1 . 1 34 34 ASN HB2 H 1 2.980 0.00 . . . . . . A 272 ASN HB2 . 34555 1 379 . 1 . 1 34 34 ASN HB3 H 1 2.741 0.00 . . . . . . A 272 ASN HB3 . 34555 1 380 . 1 . 1 34 34 ASN HD21 H 1 6.765 0.00 . . . . . . A 272 ASN HD21 . 34555 1 381 . 1 . 1 34 34 ASN HD22 H 1 7.406 0.00 . . . . . . A 272 ASN HD22 . 34555 1 382 . 1 . 1 34 34 ASN CA C 13 49.139 0.09 . . . . . . A 272 ASN CA . 34555 1 383 . 1 . 1 34 34 ASN CB C 13 37.324 0.02 . . . . . . A 272 ASN CB . 34555 1 384 . 1 . 1 34 34 ASN N N 15 126.139 0.00 . . . . . . A 272 ASN N . 34555 1 385 . 1 . 1 34 34 ASN ND2 N 15 109.415 0.00 . . . . . . A 272 ASN ND2 . 34555 1 386 . 1 . 1 35 35 LEU H H 1 8.533 0.00 . . . . . . A 273 LEU H . 34555 1 387 . 1 . 1 35 35 LEU HA H 1 4.384 0.01 . . . . . . A 273 LEU HA . 34555 1 388 . 1 . 1 35 35 LEU HB2 H 1 1.952 0.00 . . . . . . A 273 LEU HB2 . 34555 1 389 . 1 . 1 35 35 LEU HB3 H 1 0.780 0.00 . . . . . . A 273 LEU HB3 . 34555 1 390 . 1 . 1 35 35 LEU HG H 1 0.665 0.00 . . . . . . A 273 LEU HG . 34555 1 391 . 1 . 1 35 35 LEU HD11 H 1 0.642 0.02 . . . . . . A 273 LEU HD11 . 34555 1 392 . 1 . 1 35 35 LEU HD12 H 1 0.642 0.02 . . . . . . A 273 LEU HD12 . 34555 1 393 . 1 . 1 35 35 LEU HD13 H 1 0.642 0.02 . . . . . . A 273 LEU HD13 . 34555 1 394 . 1 . 1 35 35 LEU CA C 13 51.338 0.09 . . . . . . A 273 LEU CA . 34555 1 395 . 1 . 1 35 35 LEU CB C 13 40.883 0.06 . . . . . . A 273 LEU CB . 34555 1 396 . 1 . 1 35 35 LEU CG C 13 23.746 0.06 . . . . . . A 273 LEU CG . 34555 1 397 . 1 . 1 35 35 LEU CD1 C 13 21.570 0.08 . . . . . . A 273 LEU CD1 . 34555 1 398 . 1 . 1 35 35 LEU N N 15 126.511 0.00 . . . . . . A 273 LEU N . 34555 1 399 . 1 . 1 36 36 VAL H H 1 7.569 0.00 . . . . . . A 274 VAL H . 34555 1 400 . 1 . 1 36 36 VAL HA H 1 3.734 0.00 . . . . . . A 274 VAL HA . 34555 1 401 . 1 . 1 36 36 VAL HB H 1 1.161 0.00 . . . . . . A 274 VAL HB . 34555 1 402 . 1 . 1 36 36 VAL HG11 H 1 0.816 0.00 . . . . . . A 274 VAL HG11 . 34555 1 403 . 1 . 1 36 36 VAL HG12 H 1 0.816 0.00 . . . . . . A 274 VAL HG12 . 34555 1 404 . 1 . 1 36 36 VAL HG13 H 1 0.816 0.00 . . . . . . A 274 VAL HG13 . 34555 1 405 . 1 . 1 36 36 VAL HG21 H 1 0.891 0.00 . . . . . . A 274 VAL HG21 . 34555 1 406 . 1 . 1 36 36 VAL HG22 H 1 0.891 0.00 . . . . . . A 274 VAL HG22 . 34555 1 407 . 1 . 1 36 36 VAL HG23 H 1 0.891 0.00 . . . . . . A 274 VAL HG23 . 34555 1 408 . 1 . 1 36 36 VAL CA C 13 61.689 0.02 . . . . . . A 274 VAL CA . 34555 1 409 . 1 . 1 36 36 VAL CB C 13 27.916 0.03 . . . . . . A 274 VAL CB . 34555 1 410 . 1 . 1 36 36 VAL CG1 C 13 18.767 0.03 . . . . . . A 274 VAL CG1 . 34555 1 411 . 1 . 1 36 36 VAL CG2 C 13 19.046 0.06 . . . . . . A 274 VAL CG2 . 34555 1 412 . 1 . 1 36 36 VAL N N 15 129.376 0.01 . . . . . . A 274 VAL N . 34555 1 413 . 1 . 1 37 37 MET H H 1 8.498 0.00 . . . . . . A 275 MET H . 34555 1 414 . 1 . 1 37 37 MET HA H 1 4.907 0.02 . . . . . . A 275 MET HA . 34555 1 415 . 1 . 1 37 37 MET HB2 H 1 1.878 0.00 . . . . . . A 275 MET HB2 . 34555 1 416 . 1 . 1 37 37 MET HB3 H 1 1.878 0.00 . . . . . . A 275 MET HB3 . 34555 1 417 . 1 . 1 37 37 MET HG2 H 1 2.599 0.00 . . . . . . A 275 MET HG2 . 34555 1 418 . 1 . 1 37 37 MET HG3 H 1 2.537 0.01 . . . . . . A 275 MET HG3 . 34555 1 419 . 1 . 1 37 37 MET CA C 13 50.227 0.03 . . . . . . A 275 MET CA . 34555 1 420 . 1 . 1 37 37 MET CB C 13 29.666 0.04 . . . . . . A 275 MET CB . 34555 1 421 . 1 . 1 37 37 MET CG C 13 28.682 0.12 . . . . . . A 275 MET CG . 34555 1 422 . 1 . 1 37 37 MET N N 15 125.547 0.00 . . . . . . A 275 MET N . 34555 1 423 . 1 . 1 38 38 ASP H H 1 8.725 0.00 . . . . . . A 276 ASP H . 34555 1 424 . 1 . 1 38 38 ASP HA H 1 4.744 0.00 . . . . . . A 276 ASP HA . 34555 1 425 . 1 . 1 38 38 ASP HB2 H 1 3.193 0.00 . . . . . . A 276 ASP HB2 . 34555 1 426 . 1 . 1 38 38 ASP HB3 H 1 2.142 0.00 . . . . . . A 276 ASP HB3 . 34555 1 427 . 1 . 1 38 38 ASP CA C 13 50.363 0.02 . . . . . . A 276 ASP CA . 34555 1 428 . 1 . 1 38 38 ASP CB C 13 39.318 0.11 . . . . . . A 276 ASP CB . 34555 1 429 . 1 . 1 38 38 ASP N N 15 121.197 0.00 . . . . . . A 276 ASP N . 34555 1 430 . 1 . 1 39 39 THR H H 1 8.479 0.00 . . . . . . A 277 THR H . 34555 1 431 . 1 . 1 39 39 THR HA H 1 4.093 0.00 . . . . . . A 277 THR HA . 34555 1 432 . 1 . 1 39 39 THR HB H 1 4.316 0.00 . . . . . . A 277 THR HB . 34555 1 433 . 1 . 1 39 39 THR HG21 H 1 1.254 0.00 . . . . . . A 277 THR HG21 . 34555 1 434 . 1 . 1 39 39 THR HG22 H 1 1.254 0.00 . . . . . . A 277 THR HG22 . 34555 1 435 . 1 . 1 39 39 THR HG23 H 1 1.254 0.00 . . . . . . A 277 THR HG23 . 34555 1 436 . 1 . 1 39 39 THR CA C 13 61.304 0.06 . . . . . . A 277 THR CA . 34555 1 437 . 1 . 1 39 39 THR CB C 13 65.941 0.03 . . . . . . A 277 THR CB . 34555 1 438 . 1 . 1 39 39 THR CG2 C 13 19.218 0.04 . . . . . . A 277 THR CG2 . 34555 1 439 . 1 . 1 39 39 THR N N 15 117.056 0.00 . . . . . . A 277 THR N . 34555 1 440 . 1 . 1 40 40 ASN H H 1 8.648 0.00 . . . . . . A 278 ASN H . 34555 1 441 . 1 . 1 40 40 ASN HA H 1 4.716 0.00 . . . . . . A 278 ASN HA . 34555 1 442 . 1 . 1 40 40 ASN HB2 H 1 2.949 0.00 . . . . . . A 278 ASN HB2 . 34555 1 443 . 1 . 1 40 40 ASN HB3 H 1 2.949 0.00 . . . . . . A 278 ASN HB3 . 34555 1 444 . 1 . 1 40 40 ASN HD21 H 1 7.829 0.00 . . . . . . A 278 ASN HD21 . 34555 1 445 . 1 . 1 40 40 ASN HD22 H 1 6.978 0.00 . . . . . . A 278 ASN HD22 . 34555 1 446 . 1 . 1 40 40 ASN CA C 13 52.208 0.03 . . . . . . A 278 ASN CA . 34555 1 447 . 1 . 1 40 40 ASN CB C 13 36.393 0.03 . . . . . . A 278 ASN CB . 34555 1 448 . 1 . 1 40 40 ASN N N 15 118.594 0.00 . . . . . . A 278 ASN N . 34555 1 449 . 1 . 1 40 40 ASN ND2 N 15 114.326 0.00 . . . . . . A 278 ASN ND2 . 34555 1 450 . 1 . 1 41 41 THR H H 1 7.576 0.00 . . . . . . A 279 THR H . 34555 1 451 . 1 . 1 41 41 THR HA H 1 4.343 0.00 . . . . . . A 279 THR HA . 34555 1 452 . 1 . 1 41 41 THR HB H 1 4.275 0.00 . . . . . . A 279 THR HB . 34555 1 453 . 1 . 1 41 41 THR HG21 H 1 1.130 0.00 . . . . . . A 279 THR HG21 . 34555 1 454 . 1 . 1 41 41 THR HG22 H 1 1.130 0.00 . . . . . . A 279 THR HG22 . 34555 1 455 . 1 . 1 41 41 THR HG23 H 1 1.130 0.00 . . . . . . A 279 THR HG23 . 34555 1 456 . 1 . 1 41 41 THR CA C 13 58.739 0.04 . . . . . . A 279 THR CA . 34555 1 457 . 1 . 1 41 41 THR CB C 13 68.049 0.07 . . . . . . A 279 THR CB . 34555 1 458 . 1 . 1 41 41 THR CG2 C 13 18.668 0.05 . . . . . . A 279 THR CG2 . 34555 1 459 . 1 . 1 41 41 THR N N 15 108.310 0.00 . . . . . . A 279 THR N . 34555 1 460 . 1 . 1 42 42 ASN H H 1 8.374 0.00 . . . . . . A 280 ASN H . 34555 1 461 . 1 . 1 42 42 ASN HA H 1 4.410 0.00 . . . . . . A 280 ASN HA . 34555 1 462 . 1 . 1 42 42 ASN HB2 H 1 3.013 0.00 . . . . . . A 280 ASN HB2 . 34555 1 463 . 1 . 1 42 42 ASN HB3 H 1 2.798 0.00 . . . . . . A 280 ASN HB3 . 34555 1 464 . 1 . 1 42 42 ASN HD21 H 1 6.739 0.00 . . . . . . A 280 ASN HD21 . 34555 1 465 . 1 . 1 42 42 ASN HD22 H 1 7.478 0.00 . . . . . . A 280 ASN HD22 . 34555 1 466 . 1 . 1 42 42 ASN CA C 13 51.769 0.02 . . . . . . A 280 ASN CA . 34555 1 467 . 1 . 1 42 42 ASN CB C 13 34.982 0.12 . . . . . . A 280 ASN CB . 34555 1 468 . 1 . 1 42 42 ASN N N 15 116.680 0.00 . . . . . . A 280 ASN N . 34555 1 469 . 1 . 1 42 42 ASN ND2 N 15 112.227 0.00 . . . . . . A 280 ASN ND2 . 34555 1 470 . 1 . 1 43 43 LEU H H 1 7.658 0.00 . . . . . . A 281 LEU H . 34555 1 471 . 1 . 1 43 43 LEU HA H 1 4.731 0.00 . . . . . . A 281 LEU HA . 34555 1 472 . 1 . 1 43 43 LEU HB2 H 1 1.565 0.00 . . . . . . A 281 LEU HB2 . 34555 1 473 . 1 . 1 43 43 LEU HB3 H 1 1.565 0.00 . . . . . . A 281 LEU HB3 . 34555 1 474 . 1 . 1 43 43 LEU HG H 1 1.517 0.00 . . . . . . A 281 LEU HG . 34555 1 475 . 1 . 1 43 43 LEU HD11 H 1 0.820 0.00 . . . . . . A 281 LEU HD11 . 34555 1 476 . 1 . 1 43 43 LEU HD12 H 1 0.820 0.00 . . . . . . A 281 LEU HD12 . 34555 1 477 . 1 . 1 43 43 LEU HD13 H 1 0.820 0.00 . . . . . . A 281 LEU HD13 . 34555 1 478 . 1 . 1 43 43 LEU HD21 H 1 0.757 0.00 . . . . . . A 281 LEU HD21 . 34555 1 479 . 1 . 1 43 43 LEU HD22 H 1 0.757 0.00 . . . . . . A 281 LEU HD22 . 34555 1 480 . 1 . 1 43 43 LEU HD23 H 1 0.757 0.00 . . . . . . A 281 LEU HD23 . 34555 1 481 . 1 . 1 43 43 LEU CA C 13 50.850 0.05 . . . . . . A 281 LEU CA . 34555 1 482 . 1 . 1 43 43 LEU CB C 13 41.000 0.04 . . . . . . A 281 LEU CB . 34555 1 483 . 1 . 1 43 43 LEU CG C 13 23.864 0.13 . . . . . . A 281 LEU CG . 34555 1 484 . 1 . 1 43 43 LEU CD1 C 13 22.635 0.14 . . . . . . A 281 LEU CD1 . 34555 1 485 . 1 . 1 43 43 LEU CD2 C 13 20.044 0.08 . . . . . . A 281 LEU CD2 . 34555 1 486 . 1 . 1 43 43 LEU N N 15 118.795 0.00 . . . . . . A 281 LEU N . 34555 1 487 . 1 . 1 44 44 ASN H H 1 8.960 0.00 . . . . . . A 282 ASN H . 34555 1 488 . 1 . 1 44 44 ASN HA H 1 5.320 0.00 . . . . . . A 282 ASN HA . 34555 1 489 . 1 . 1 44 44 ASN HB2 H 1 2.878 0.00 . . . . . . A 282 ASN HB2 . 34555 1 490 . 1 . 1 44 44 ASN HB3 H 1 2.431 0.00 . . . . . . A 282 ASN HB3 . 34555 1 491 . 1 . 1 44 44 ASN HD21 H 1 7.124 0.00 . . . . . . A 282 ASN HD21 . 34555 1 492 . 1 . 1 44 44 ASN HD22 H 1 8.148 0.00 . . . . . . A 282 ASN HD22 . 34555 1 493 . 1 . 1 44 44 ASN CA C 13 50.586 0.03 . . . . . . A 282 ASN CA . 34555 1 494 . 1 . 1 44 44 ASN CB C 13 37.749 0.03 . . . . . . A 282 ASN CB . 34555 1 495 . 1 . 1 44 44 ASN N N 15 118.645 0.00 . . . . . . A 282 ASN N . 34555 1 496 . 1 . 1 44 44 ASN ND2 N 15 115.986 0.00 . . . . . . A 282 ASN ND2 . 34555 1 497 . 1 . 1 45 45 LYS H H 1 8.727 0.00 . . . . . . A 283 LYS H . 34555 1 498 . 1 . 1 45 45 LYS HA H 1 4.300 0.01 . . . . . . A 283 LYS HA . 34555 1 499 . 1 . 1 45 45 LYS HB2 H 1 2.082 0.00 . . . . . . A 283 LYS HB2 . 34555 1 500 . 1 . 1 45 45 LYS HB3 H 1 1.216 0.06 . . . . . . A 283 LYS HB3 . 34555 1 501 . 1 . 1 45 45 LYS HG2 H 1 1.336 0.00 . . . . . . A 283 LYS HG2 . 34555 1 502 . 1 . 1 45 45 LYS HG3 H 1 1.336 0.00 . . . . . . A 283 LYS HG3 . 34555 1 503 . 1 . 1 45 45 LYS HD2 H 1 1.701 0.01 . . . . . . A 283 LYS HD2 . 34555 1 504 . 1 . 1 45 45 LYS HD3 H 1 1.661 0.00 . . . . . . A 283 LYS HD3 . 34555 1 505 . 1 . 1 45 45 LYS HE2 H 1 3.016 0.00 . . . . . . A 283 LYS HE2 . 34555 1 506 . 1 . 1 45 45 LYS HE3 H 1 3.016 0.00 . . . . . . A 283 LYS HE3 . 34555 1 507 . 1 . 1 45 45 LYS CA C 13 53.807 0.06 . . . . . . A 283 LYS CA . 34555 1 508 . 1 . 1 45 45 LYS CB C 13 30.241 0.04 . . . . . . A 283 LYS CB . 34555 1 509 . 1 . 1 45 45 LYS CG C 13 23.611 0.03 . . . . . . A 283 LYS CG . 34555 1 510 . 1 . 1 45 45 LYS CD C 13 26.476 0.05 . . . . . . A 283 LYS CD . 34555 1 511 . 1 . 1 45 45 LYS CE C 13 39.260 0.05 . . . . . . A 283 LYS CE . 34555 1 512 . 1 . 1 45 45 LYS N N 15 116.058 0.00 . . . . . . A 283 LYS N . 34555 1 513 . 1 . 1 46 46 GLY H H 1 10.052 0.00 . . . . . . A 284 GLY H . 34555 1 514 . 1 . 1 46 46 GLY HA2 H 1 4.345 0.01 . . . . . . A 284 GLY HA2 . 34555 1 515 . 1 . 1 46 46 GLY HA3 H 1 3.869 0.00 . . . . . . A 284 GLY HA3 . 34555 1 516 . 1 . 1 46 46 GLY CA C 13 42.422 0.11 . . . . . . A 284 GLY CA . 34555 1 517 . 1 . 1 46 46 GLY N N 15 110.361 0.00 . . . . . . A 284 GLY N . 34555 1 518 . 1 . 1 47 47 PHE H H 1 6.917 0.00 . . . . . . A 285 PHE H . 34555 1 519 . 1 . 1 47 47 PHE HA H 1 5.649 0.00 . . . . . . A 285 PHE HA . 34555 1 520 . 1 . 1 47 47 PHE HB2 H 1 3.066 0.00 . . . . . . A 285 PHE HB2 . 34555 1 521 . 1 . 1 47 47 PHE HB3 H 1 2.890 0.00 . . . . . . A 285 PHE HB3 . 34555 1 522 . 1 . 1 47 47 PHE HD1 H 1 6.854 0.00 . . . . . . A 285 PHE HD1 . 34555 1 523 . 1 . 1 47 47 PHE HD2 H 1 6.854 0.00 . . . . . . A 285 PHE HD2 . 34555 1 524 . 1 . 1 47 47 PHE HE1 H 1 7.445 0.00 . . . . . . A 285 PHE HE1 . 34555 1 525 . 1 . 1 47 47 PHE HE2 H 1 7.445 0.00 . . . . . . A 285 PHE HE2 . 34555 1 526 . 1 . 1 47 47 PHE HZ H 1 7.421 0.00 . . . . . . A 285 PHE HZ . 34555 1 527 . 1 . 1 47 47 PHE CA C 13 51.739 0.02 . . . . . . A 285 PHE CA . 34555 1 528 . 1 . 1 47 47 PHE CB C 13 39.445 0.02 . . . . . . A 285 PHE CB . 34555 1 529 . 1 . 1 47 47 PHE CD1 C 13 129.810 0.00 . . . . . . A 285 PHE CD1 . 34555 1 530 . 1 . 1 47 47 PHE CD2 C 13 129.810 0.00 . . . . . . A 285 PHE CD2 . 34555 1 531 . 1 . 1 47 47 PHE CE1 C 13 128.828 0.00 . . . . . . A 285 PHE CE1 . 34555 1 532 . 1 . 1 47 47 PHE CE2 C 13 128.828 0.00 . . . . . . A 285 PHE CE2 . 34555 1 533 . 1 . 1 47 47 PHE CZ C 13 126.972 0.00 . . . . . . A 285 PHE CZ . 34555 1 534 . 1 . 1 47 47 PHE N N 15 113.531 0.01 . . . . . . A 285 PHE N . 34555 1 535 . 1 . 1 48 48 ALA H H 1 8.751 0.00 . . . . . . A 286 ALA H . 34555 1 536 . 1 . 1 48 48 ALA HA H 1 5.012 0.00 . . . . . . A 286 ALA HA . 34555 1 537 . 1 . 1 48 48 ALA HB1 H 1 1.023 0.00 . . . . . . A 286 ALA HB1 . 34555 1 538 . 1 . 1 48 48 ALA HB2 H 1 1.023 0.00 . . . . . . A 286 ALA HB2 . 34555 1 539 . 1 . 1 48 48 ALA HB3 H 1 1.023 0.00 . . . . . . A 286 ALA HB3 . 34555 1 540 . 1 . 1 48 48 ALA CA C 13 47.243 0.05 . . . . . . A 286 ALA CA . 34555 1 541 . 1 . 1 48 48 ALA CB C 13 21.224 0.04 . . . . . . A 286 ALA CB . 34555 1 542 . 1 . 1 48 48 ALA N N 15 118.400 0.01 . . . . . . A 286 ALA N . 34555 1 543 . 1 . 1 49 49 PHE H H 1 8.102 0.01 . . . . . . A 287 PHE H . 34555 1 544 . 1 . 1 49 49 PHE HA H 1 6.145 0.00 . . . . . . A 287 PHE HA . 34555 1 545 . 1 . 1 49 49 PHE HB2 H 1 3.061 0.00 . . . . . . A 287 PHE HB2 . 34555 1 546 . 1 . 1 49 49 PHE HB3 H 1 2.918 0.00 . . . . . . A 287 PHE HB3 . 34555 1 547 . 1 . 1 49 49 PHE HD1 H 1 7.324 0.00 . . . . . . A 287 PHE HD1 . 34555 1 548 . 1 . 1 49 49 PHE HD2 H 1 7.324 0.00 . . . . . . A 287 PHE HD2 . 34555 1 549 . 1 . 1 49 49 PHE HE1 H 1 7.583 0.00 . . . . . . A 287 PHE HE1 . 34555 1 550 . 1 . 1 49 49 PHE HE2 H 1 7.583 0.00 . . . . . . A 287 PHE HE2 . 34555 1 551 . 1 . 1 49 49 PHE CA C 13 53.160 0.08 . . . . . . A 287 PHE CA . 34555 1 552 . 1 . 1 49 49 PHE CB C 13 40.562 0.05 . . . . . . A 287 PHE CB . 34555 1 553 . 1 . 1 49 49 PHE CD1 C 13 129.605 0.00 . . . . . . A 287 PHE CD1 . 34555 1 554 . 1 . 1 49 49 PHE CD2 C 13 129.605 0.00 . . . . . . A 287 PHE CD2 . 34555 1 555 . 1 . 1 49 49 PHE CE1 C 13 128.970 0.00 . . . . . . A 287 PHE CE1 . 34555 1 556 . 1 . 1 49 49 PHE CE2 C 13 128.970 0.00 . . . . . . A 287 PHE CE2 . 34555 1 557 . 1 . 1 49 49 PHE N N 15 114.636 0.01 . . . . . . A 287 PHE N . 34555 1 558 . 1 . 1 50 50 PHE H H 1 9.616 0.00 . . . . . . A 288 PHE H . 34555 1 559 . 1 . 1 50 50 PHE HA H 1 5.118 0.01 . . . . . . A 288 PHE HA . 34555 1 560 . 1 . 1 50 50 PHE HB2 H 1 3.090 0.00 . . . . . . A 288 PHE HB2 . 34555 1 561 . 1 . 1 50 50 PHE HB3 H 1 2.777 0.00 . . . . . . A 288 PHE HB3 . 34555 1 562 . 1 . 1 50 50 PHE HD1 H 1 6.468 0.00 . . . . . . A 288 PHE HD1 . 34555 1 563 . 1 . 1 50 50 PHE HD2 H 1 6.468 0.00 . . . . . . A 288 PHE HD2 . 34555 1 564 . 1 . 1 50 50 PHE HE1 H 1 6.995 0.00 . . . . . . A 288 PHE HE1 . 34555 1 565 . 1 . 1 50 50 PHE HE2 H 1 6.995 0.00 . . . . . . A 288 PHE HE2 . 34555 1 566 . 1 . 1 50 50 PHE HZ H 1 6.812 0.00 . . . . . . A 288 PHE HZ . 34555 1 567 . 1 . 1 50 50 PHE CA C 13 53.486 0.07 . . . . . . A 288 PHE CA . 34555 1 568 . 1 . 1 50 50 PHE CB C 13 38.277 0.31 . . . . . . A 288 PHE CB . 34555 1 569 . 1 . 1 50 50 PHE CD1 C 13 129.811 0.00 . . . . . . A 288 PHE CD1 . 34555 1 570 . 1 . 1 50 50 PHE CD2 C 13 129.811 0.00 . . . . . . A 288 PHE CD2 . 34555 1 571 . 1 . 1 50 50 PHE CE1 C 13 128.736 0.00 . . . . . . A 288 PHE CE1 . 34555 1 572 . 1 . 1 50 50 PHE CE2 C 13 128.736 0.00 . . . . . . A 288 PHE CE2 . 34555 1 573 . 1 . 1 50 50 PHE CZ C 13 126.755 0.00 . . . . . . A 288 PHE CZ . 34555 1 574 . 1 . 1 50 50 PHE N N 15 119.867 0.00 . . . . . . A 288 PHE N . 34555 1 575 . 1 . 1 51 51 GLU H H 1 7.778 0.00 . . . . . . A 289 GLU H . 34555 1 576 . 1 . 1 51 51 GLU HA H 1 4.397 0.00 . . . . . . A 289 GLU HA . 34555 1 577 . 1 . 1 51 51 GLU HB2 H 1 1.874 0.00 . . . . . . A 289 GLU HB2 . 34555 1 578 . 1 . 1 51 51 GLU HB3 H 1 1.695 0.00 . . . . . . A 289 GLU HB3 . 34555 1 579 . 1 . 1 51 51 GLU HG2 H 1 2.167 0.00 . . . . . . A 289 GLU HG2 . 34555 1 580 . 1 . 1 51 51 GLU HG3 H 1 2.167 0.00 . . . . . . A 289 GLU HG3 . 34555 1 581 . 1 . 1 51 51 GLU CA C 13 52.371 0.01 . . . . . . A 289 GLU CA . 34555 1 582 . 1 . 1 51 51 GLU CB C 13 31.664 0.07 . . . . . . A 289 GLU CB . 34555 1 583 . 1 . 1 51 51 GLU CG C 13 33.113 0.02 . . . . . . A 289 GLU CG . 34555 1 584 . 1 . 1 51 51 GLU N N 15 115.946 0.00 . . . . . . A 289 GLU N . 34555 1 585 . 1 . 1 52 52 TYR H H 1 9.252 0.00 . . . . . . A 290 TYR H . 34555 1 586 . 1 . 1 52 52 TYR HA H 1 4.697 0.01 . . . . . . A 290 TYR HA . 34555 1 587 . 1 . 1 52 52 TYR HB2 H 1 3.415 0.00 . . . . . . A 290 TYR HB2 . 34555 1 588 . 1 . 1 52 52 TYR HB3 H 1 2.405 0.00 . . . . . . A 290 TYR HB3 . 34555 1 589 . 1 . 1 52 52 TYR HD1 H 1 6.882 0.00 . . . . . . A 290 TYR HD1 . 34555 1 590 . 1 . 1 52 52 TYR HD2 H 1 6.882 0.00 . . . . . . A 290 TYR HD2 . 34555 1 591 . 1 . 1 52 52 TYR HE1 H 1 6.754 0.00 . . . . . . A 290 TYR HE1 . 34555 1 592 . 1 . 1 52 52 TYR HE2 H 1 6.754 0.00 . . . . . . A 290 TYR HE2 . 34555 1 593 . 1 . 1 52 52 TYR CA C 13 57.909 0.05 . . . . . . A 290 TYR CA . 34555 1 594 . 1 . 1 52 52 TYR CB C 13 37.183 0.06 . . . . . . A 290 TYR CB . 34555 1 595 . 1 . 1 52 52 TYR CD1 C 13 129.996 0.00 . . . . . . A 290 TYR CD1 . 34555 1 596 . 1 . 1 52 52 TYR CD2 C 13 129.996 0.00 . . . . . . A 290 TYR CD2 . 34555 1 597 . 1 . 1 52 52 TYR CE1 C 13 115.546 0.00 . . . . . . A 290 TYR CE1 . 34555 1 598 . 1 . 1 52 52 TYR CE2 C 13 115.546 0.00 . . . . . . A 290 TYR CE2 . 34555 1 599 . 1 . 1 52 52 TYR N N 15 125.180 0.00 . . . . . . A 290 TYR N . 34555 1 600 . 1 . 1 53 53 CYS H H 1 8.530 0.00 . . . . . . A 291 CYS H . 34555 1 601 . 1 . 1 53 53 CYS HA H 1 3.914 0.00 . . . . . . A 291 CYS HA . 34555 1 602 . 1 . 1 53 53 CYS HB2 H 1 3.074 0.00 . . . . . . A 291 CYS HB2 . 34555 1 603 . 1 . 1 53 53 CYS HB3 H 1 2.812 0.00 . . . . . . A 291 CYS HB3 . 34555 1 604 . 1 . 1 53 53 CYS CA C 13 60.613 0.00 . . . . . . A 291 CYS CA . 34555 1 605 . 1 . 1 53 53 CYS CB C 13 24.362 0.04 . . . . . . A 291 CYS CB . 34555 1 606 . 1 . 1 53 53 CYS N N 15 119.064 0.02 . . . . . . A 291 CYS N . 34555 1 607 . 1 . 1 54 54 ASP H H 1 8.912 0.00 . . . . . . A 292 ASP H . 34555 1 608 . 1 . 1 54 54 ASP HA H 1 5.124 0.00 . . . . . . A 292 ASP HA . 34555 1 609 . 1 . 1 54 54 ASP HB2 H 1 3.108 0.00 . . . . . . A 292 ASP HB2 . 34555 1 610 . 1 . 1 54 54 ASP HB3 H 1 2.568 0.00 . . . . . . A 292 ASP HB3 . 34555 1 611 . 1 . 1 54 54 ASP CA C 13 46.850 0.03 . . . . . . A 292 ASP CA . 34555 1 612 . 1 . 1 54 54 ASP CB C 13 38.398 0.02 . . . . . . A 292 ASP CB . 34555 1 613 . 1 . 1 54 54 ASP N N 15 118.959 0.00 . . . . . . A 292 ASP N . 34555 1 614 . 1 . 1 55 55 PRO HA H 1 4.359 0.00 . . . . . . A 293 PRO HA . 34555 1 615 . 1 . 1 55 55 PRO HB2 H 1 2.412 0.00 . . . . . . A 293 PRO HB2 . 34555 1 616 . 1 . 1 55 55 PRO HB3 H 1 2.026 0.00 . . . . . . A 293 PRO HB3 . 34555 1 617 . 1 . 1 55 55 PRO HG2 H 1 2.065 0.00 . . . . . . A 293 PRO HG2 . 34555 1 618 . 1 . 1 55 55 PRO HG3 H 1 2.065 0.00 . . . . . . A 293 PRO HG3 . 34555 1 619 . 1 . 1 55 55 PRO HD2 H 1 4.091 0.00 . . . . . . A 293 PRO HD2 . 34555 1 620 . 1 . 1 55 55 PRO HD3 H 1 4.022 0.00 . . . . . . A 293 PRO HD3 . 34555 1 621 . 1 . 1 55 55 PRO CA C 13 61.393 0.02 . . . . . . A 293 PRO CA . 34555 1 622 . 1 . 1 55 55 PRO CB C 13 29.514 0.05 . . . . . . A 293 PRO CB . 34555 1 623 . 1 . 1 55 55 PRO CG C 13 24.370 0.04 . . . . . . A 293 PRO CG . 34555 1 624 . 1 . 1 55 55 PRO CD C 13 48.310 0.01 . . . . . . A 293 PRO CD . 34555 1 625 . 1 . 1 56 56 SER H H 1 8.552 0.00 . . . . . . A 294 SER H . 34555 1 626 . 1 . 1 56 56 SER HA H 1 4.308 0.00 . . . . . . A 294 SER HA . 34555 1 627 . 1 . 1 56 56 SER HB2 H 1 3.988 0.00 . . . . . . A 294 SER HB2 . 34555 1 628 . 1 . 1 56 56 SER HB3 H 1 3.988 0.00 . . . . . . A 294 SER HB3 . 34555 1 629 . 1 . 1 56 56 SER CA C 13 58.454 0.07 . . . . . . A 294 SER CA . 34555 1 630 . 1 . 1 56 56 SER CB C 13 60.315 0.00 . . . . . . A 294 SER CB . 34555 1 631 . 1 . 1 56 56 SER N N 15 115.816 0.01 . . . . . . A 294 SER N . 34555 1 632 . 1 . 1 57 57 VAL H H 1 7.705 0.00 . . . . . . A 295 VAL H . 34555 1 633 . 1 . 1 57 57 VAL HA H 1 3.983 0.00 . . . . . . A 295 VAL HA . 34555 1 634 . 1 . 1 57 57 VAL HB H 1 2.020 0.00 . . . . . . A 295 VAL HB . 34555 1 635 . 1 . 1 57 57 VAL HG11 H 1 0.425 0.00 . . . . . . A 295 VAL HG11 . 34555 1 636 . 1 . 1 57 57 VAL HG12 H 1 0.425 0.00 . . . . . . A 295 VAL HG12 . 34555 1 637 . 1 . 1 57 57 VAL HG13 H 1 0.425 0.00 . . . . . . A 295 VAL HG13 . 34555 1 638 . 1 . 1 57 57 VAL HG21 H 1 0.800 0.00 . . . . . . A 295 VAL HG21 . 34555 1 639 . 1 . 1 57 57 VAL HG22 H 1 0.800 0.00 . . . . . . A 295 VAL HG22 . 34555 1 640 . 1 . 1 57 57 VAL HG23 H 1 0.800 0.00 . . . . . . A 295 VAL HG23 . 34555 1 641 . 1 . 1 57 57 VAL CA C 13 60.677 0.02 . . . . . . A 295 VAL CA . 34555 1 642 . 1 . 1 57 57 VAL CB C 13 29.594 0.06 . . . . . . A 295 VAL CB . 34555 1 643 . 1 . 1 57 57 VAL CG1 C 13 18.292 0.03 . . . . . . A 295 VAL CG1 . 34555 1 644 . 1 . 1 57 57 VAL CG2 C 13 18.370 0.09 . . . . . . A 295 VAL CG2 . 34555 1 645 . 1 . 1 57 57 VAL N N 15 119.444 0.01 . . . . . . A 295 VAL N . 34555 1 646 . 1 . 1 58 58 THR H H 1 7.289 0.01 . . . . . . A 296 THR H . 34555 1 647 . 1 . 1 58 58 THR HA H 1 3.545 0.00 . . . . . . A 296 THR HA . 34555 1 648 . 1 . 1 58 58 THR HB H 1 4.176 0.00 . . . . . . A 296 THR HB . 34555 1 649 . 1 . 1 58 58 THR HG21 H 1 1.129 0.00 . . . . . . A 296 THR HG21 . 34555 1 650 . 1 . 1 58 58 THR HG22 H 1 1.129 0.00 . . . . . . A 296 THR HG22 . 34555 1 651 . 1 . 1 58 58 THR HG23 H 1 1.129 0.00 . . . . . . A 296 THR HG23 . 34555 1 652 . 1 . 1 58 58 THR CA C 13 65.075 0.03 . . . . . . A 296 THR CA . 34555 1 653 . 1 . 1 58 58 THR CB C 13 66.907 0.03 . . . . . . A 296 THR CB . 34555 1 654 . 1 . 1 58 58 THR CG2 C 13 18.396 0.20 . . . . . . A 296 THR CG2 . 34555 1 655 . 1 . 1 58 58 THR N N 15 115.900 0.00 . . . . . . A 296 THR N . 34555 1 656 . 1 . 1 59 59 ASP H H 1 8.517 0.00 . . . . . . A 297 ASP H . 34555 1 657 . 1 . 1 59 59 ASP HA H 1 4.329 0.00 . . . . . . A 297 ASP HA . 34555 1 658 . 1 . 1 59 59 ASP HB2 H 1 2.532 0.00 . . . . . . A 297 ASP HB2 . 34555 1 659 . 1 . 1 59 59 ASP HB3 H 1 2.397 0.00 . . . . . . A 297 ASP HB3 . 34555 1 660 . 1 . 1 59 59 ASP CA C 13 55.533 0.00 . . . . . . A 297 ASP CA . 34555 1 661 . 1 . 1 59 59 ASP CB C 13 37.429 0.03 . . . . . . A 297 ASP CB . 34555 1 662 . 1 . 1 59 59 ASP N N 15 117.721 0.02 . . . . . . A 297 ASP N . 34555 1 663 . 1 . 1 60 60 HIS H H 1 7.844 0.00 . . . . . . A 298 HIS H . 34555 1 664 . 1 . 1 60 60 HIS HA H 1 4.368 0.00 . . . . . . A 298 HIS HA . 34555 1 665 . 1 . 1 60 60 HIS HB2 H 1 3.280 0.02 . . . . . . A 298 HIS HB2 . 34555 1 666 . 1 . 1 60 60 HIS HB3 H 1 3.210 0.00 . . . . . . A 298 HIS HB3 . 34555 1 667 . 1 . 1 60 60 HIS HD2 H 1 7.317 0.00 . . . . . . A 298 HIS HD2 . 34555 1 668 . 1 . 1 60 60 HIS HE1 H 1 8.232 0.00 . . . . . . A 298 HIS HE1 . 34555 1 669 . 1 . 1 60 60 HIS CA C 13 55.484 0.02 . . . . . . A 298 HIS CA . 34555 1 670 . 1 . 1 60 60 HIS CB C 13 26.646 0.04 . . . . . . A 298 HIS CB . 34555 1 671 . 1 . 1 60 60 HIS CD2 C 13 117.124 0.03 . . . . . . A 298 HIS CD2 . 34555 1 672 . 1 . 1 60 60 HIS CE1 C 13 135.319 0.00 . . . . . . A 298 HIS CE1 . 34555 1 673 . 1 . 1 60 60 HIS N N 15 120.572 0.01 . . . . . . A 298 HIS N . 34555 1 674 . 1 . 1 61 61 ALA H H 1 8.137 0.01 . . . . . . A 299 ALA H . 34555 1 675 . 1 . 1 61 61 ALA HA H 1 2.503 0.00 . . . . . . A 299 ALA HA . 34555 1 676 . 1 . 1 61 61 ALA HB1 H 1 1.170 0.00 . . . . . . A 299 ALA HB1 . 34555 1 677 . 1 . 1 61 61 ALA HB2 H 1 1.170 0.00 . . . . . . A 299 ALA HB2 . 34555 1 678 . 1 . 1 61 61 ALA HB3 H 1 1.170 0.00 . . . . . . A 299 ALA HB3 . 34555 1 679 . 1 . 1 61 61 ALA CA C 13 51.812 0.01 . . . . . . A 299 ALA CA . 34555 1 680 . 1 . 1 61 61 ALA CB C 13 16.470 0.04 . . . . . . A 299 ALA CB . 34555 1 681 . 1 . 1 61 61 ALA N N 15 124.011 0.01 . . . . . . A 299 ALA N . 34555 1 682 . 1 . 1 62 62 ILE H H 1 8.075 0.00 . . . . . . A 300 ILE H . 34555 1 683 . 1 . 1 62 62 ILE HA H 1 3.381 0.00 . . . . . . A 300 ILE HA . 34555 1 684 . 1 . 1 62 62 ILE HB H 1 1.708 0.00 . . . . . . A 300 ILE HB . 34555 1 685 . 1 . 1 62 62 ILE HG12 H 1 1.863 0.00 . . . . . . A 300 ILE HG12 . 34555 1 686 . 1 . 1 62 62 ILE HG13 H 1 0.782 0.00 . . . . . . A 300 ILE HG13 . 34555 1 687 . 1 . 1 62 62 ILE HG21 H 1 0.846 0.00 . . . . . . A 300 ILE HG21 . 34555 1 688 . 1 . 1 62 62 ILE HG22 H 1 0.846 0.00 . . . . . . A 300 ILE HG22 . 34555 1 689 . 1 . 1 62 62 ILE HG23 H 1 0.846 0.00 . . . . . . A 300 ILE HG23 . 34555 1 690 . 1 . 1 62 62 ILE HD11 H 1 0.792 0.00 . . . . . . A 300 ILE HD11 . 34555 1 691 . 1 . 1 62 62 ILE HD12 H 1 0.792 0.00 . . . . . . A 300 ILE HD12 . 34555 1 692 . 1 . 1 62 62 ILE HD13 H 1 0.792 0.00 . . . . . . A 300 ILE HD13 . 34555 1 693 . 1 . 1 62 62 ILE CA C 13 63.742 0.03 . . . . . . A 300 ILE CA . 34555 1 694 . 1 . 1 62 62 ILE CB C 13 35.560 0.04 . . . . . . A 300 ILE CB . 34555 1 695 . 1 . 1 62 62 ILE CG1 C 13 27.081 0.06 . . . . . . A 300 ILE CG1 . 34555 1 696 . 1 . 1 62 62 ILE CG2 C 13 14.006 0.06 . . . . . . A 300 ILE CG2 . 34555 1 697 . 1 . 1 62 62 ILE CD1 C 13 12.519 0.05 . . . . . . A 300 ILE CD1 . 34555 1 698 . 1 . 1 62 62 ILE N N 15 116.704 0.01 . . . . . . A 300 ILE N . 34555 1 699 . 1 . 1 63 63 ALA H H 1 7.464 0.01 . . . . . . A 301 ALA H . 34555 1 700 . 1 . 1 63 63 ALA HA H 1 4.116 0.00 . . . . . . A 301 ALA HA . 34555 1 701 . 1 . 1 63 63 ALA HB1 H 1 1.446 0.00 . . . . . . A 301 ALA HB1 . 34555 1 702 . 1 . 1 63 63 ALA HB2 H 1 1.446 0.00 . . . . . . A 301 ALA HB2 . 34555 1 703 . 1 . 1 63 63 ALA HB3 H 1 1.446 0.00 . . . . . . A 301 ALA HB3 . 34555 1 704 . 1 . 1 63 63 ALA CA C 13 51.857 0.01 . . . . . . A 301 ALA CA . 34555 1 705 . 1 . 1 63 63 ALA CB C 13 15.353 0.06 . . . . . . A 301 ALA CB . 34555 1 706 . 1 . 1 63 63 ALA N N 15 118.207 0.00 . . . . . . A 301 ALA N . 34555 1 707 . 1 . 1 64 64 GLY H H 1 7.787 0.00 . . . . . . A 302 GLY H . 34555 1 708 . 1 . 1 64 64 GLY HA2 H 1 4.068 0.00 . . . . . . A 302 GLY HA2 . 34555 1 709 . 1 . 1 64 64 GLY HA3 H 1 3.605 0.00 . . . . . . A 302 GLY HA3 . 34555 1 710 . 1 . 1 64 64 GLY CA C 13 43.488 0.02 . . . . . . A 302 GLY CA . 34555 1 711 . 1 . 1 64 64 GLY N N 15 103.871 0.00 . . . . . . A 302 GLY N . 34555 1 712 . 1 . 1 65 65 LEU HA H 1 4.470 0.00 . . . . . . A 303 LEU HA . 34555 1 713 . 1 . 1 65 65 LEU HB2 H 1 1.770 0.00 . . . . . . A 303 LEU HB2 . 34555 1 714 . 1 . 1 65 65 LEU HB3 H 1 1.347 0.00 . . . . . . A 303 LEU HB3 . 34555 1 715 . 1 . 1 65 65 LEU HG H 1 0.812 0.00 . . . . . . A 303 LEU HG . 34555 1 716 . 1 . 1 65 65 LEU HD21 H 1 0.902 0.00 . . . . . . A 303 LEU HD21 . 34555 1 717 . 1 . 1 65 65 LEU HD22 H 1 0.902 0.00 . . . . . . A 303 LEU HD22 . 34555 1 718 . 1 . 1 65 65 LEU HD23 H 1 0.902 0.00 . . . . . . A 303 LEU HD23 . 34555 1 719 . 1 . 1 65 65 LEU CA C 13 53.414 0.01 . . . . . . A 303 LEU CA . 34555 1 720 . 1 . 1 65 65 LEU CB C 13 43.313 0.04 . . . . . . A 303 LEU CB . 34555 1 721 . 1 . 1 65 65 LEU CG C 13 23.740 0.02 . . . . . . A 303 LEU CG . 34555 1 722 . 1 . 1 65 65 LEU CD2 C 13 20.433 0.04 . . . . . . A 303 LEU CD2 . 34555 1 723 . 1 . 1 66 66 HIS H H 1 8.525 0.00 . . . . . . A 304 HIS H . 34555 1 724 . 1 . 1 66 66 HIS HA H 1 4.113 0.00 . . . . . . A 304 HIS HA . 34555 1 725 . 1 . 1 66 66 HIS HB2 H 1 3.354 0.00 . . . . . . A 304 HIS HB2 . 34555 1 726 . 1 . 1 66 66 HIS HB3 H 1 3.154 0.00 . . . . . . A 304 HIS HB3 . 34555 1 727 . 1 . 1 66 66 HIS HD2 H 1 6.900 0.00 . . . . . . A 304 HIS HD2 . 34555 1 728 . 1 . 1 66 66 HIS HE1 H 1 7.758 0.00 . . . . . . A 304 HIS HE1 . 34555 1 729 . 1 . 1 66 66 HIS CA C 13 57.575 0.03 . . . . . . A 304 HIS CA . 34555 1 730 . 1 . 1 66 66 HIS CB C 13 28.062 0.05 . . . . . . A 304 HIS CB . 34555 1 731 . 1 . 1 66 66 HIS CD2 C 13 114.755 0.00 . . . . . . A 304 HIS CD2 . 34555 1 732 . 1 . 1 66 66 HIS CE1 C 13 135.915 0.00 . . . . . . A 304 HIS CE1 . 34555 1 733 . 1 . 1 66 66 HIS N N 15 118.030 0.01 . . . . . . A 304 HIS N . 34555 1 734 . 1 . 1 67 67 GLY H H 1 8.258 0.00 . . . . . . A 305 GLY H . 34555 1 735 . 1 . 1 67 67 GLY HA2 H 1 3.995 0.00 . . . . . . A 305 GLY HA2 . 34555 1 736 . 1 . 1 67 67 GLY HA3 H 1 3.349 0.00 . . . . . . A 305 GLY HA3 . 34555 1 737 . 1 . 1 67 67 GLY CA C 13 42.335 0.04 . . . . . . A 305 GLY CA . 34555 1 738 . 1 . 1 67 67 GLY N N 15 116.457 0.00 . . . . . . A 305 GLY N . 34555 1 739 . 1 . 1 68 68 MET H H 1 7.913 0.00 . . . . . . A 306 MET H . 34555 1 740 . 1 . 1 68 68 MET HA H 1 4.047 0.00 . . . . . . A 306 MET HA . 34555 1 741 . 1 . 1 68 68 MET HB2 H 1 2.237 0.00 . . . . . . A 306 MET HB2 . 34555 1 742 . 1 . 1 68 68 MET HB3 H 1 1.974 0.00 . . . . . . A 306 MET HB3 . 34555 1 743 . 1 . 1 68 68 MET HG2 H 1 2.561 0.00 . . . . . . A 306 MET HG2 . 34555 1 744 . 1 . 1 68 68 MET HG3 H 1 2.348 0.00 . . . . . . A 306 MET HG3 . 34555 1 745 . 1 . 1 68 68 MET CA C 13 54.041 0.02 . . . . . . A 306 MET CA . 34555 1 746 . 1 . 1 68 68 MET CB C 13 31.438 0.02 . . . . . . A 306 MET CB . 34555 1 747 . 1 . 1 68 68 MET CG C 13 29.349 0.07 . . . . . . A 306 MET CG . 34555 1 748 . 1 . 1 68 68 MET N N 15 122.306 0.03 . . . . . . A 306 MET N . 34555 1 749 . 1 . 1 69 69 LEU H H 1 8.383 0.00 . . . . . . A 307 LEU H . 34555 1 750 . 1 . 1 69 69 LEU HA H 1 4.556 0.00 . . . . . . A 307 LEU HA . 34555 1 751 . 1 . 1 69 69 LEU HB2 H 1 1.675 0.00 . . . . . . A 307 LEU HB2 . 34555 1 752 . 1 . 1 69 69 LEU HB3 H 1 1.336 0.00 . . . . . . A 307 LEU HB3 . 34555 1 753 . 1 . 1 69 69 LEU HG H 1 1.396 0.00 . . . . . . A 307 LEU HG . 34555 1 754 . 1 . 1 69 69 LEU HD11 H 1 0.686 0.00 . . . . . . A 307 LEU HD11 . 34555 1 755 . 1 . 1 69 69 LEU HD12 H 1 0.686 0.00 . . . . . . A 307 LEU HD12 . 34555 1 756 . 1 . 1 69 69 LEU HD13 H 1 0.686 0.00 . . . . . . A 307 LEU HD13 . 34555 1 757 . 1 . 1 69 69 LEU HD21 H 1 0.702 0.00 . . . . . . A 307 LEU HD21 . 34555 1 758 . 1 . 1 69 69 LEU HD22 H 1 0.702 0.00 . . . . . . A 307 LEU HD22 . 34555 1 759 . 1 . 1 69 69 LEU HD23 H 1 0.702 0.00 . . . . . . A 307 LEU HD23 . 34555 1 760 . 1 . 1 69 69 LEU CA C 13 51.851 0.13 . . . . . . A 307 LEU CA . 34555 1 761 . 1 . 1 69 69 LEU CB C 13 39.885 0.10 . . . . . . A 307 LEU CB . 34555 1 762 . 1 . 1 69 69 LEU CG C 13 24.352 0.08 . . . . . . A 307 LEU CG . 34555 1 763 . 1 . 1 69 69 LEU CD1 C 13 21.292 0.08 . . . . . . A 307 LEU CD1 . 34555 1 764 . 1 . 1 69 69 LEU CD2 C 13 22.430 0.07 . . . . . . A 307 LEU CD2 . 34555 1 765 . 1 . 1 69 69 LEU N N 15 126.513 0.00 . . . . . . A 307 LEU N . 34555 1 766 . 1 . 1 70 70 LEU H H 1 8.706 0.00 . . . . . . A 308 LEU H . 34555 1 767 . 1 . 1 70 70 LEU HA H 1 4.543 0.00 . . . . . . A 308 LEU HA . 34555 1 768 . 1 . 1 70 70 LEU HB2 H 1 1.559 0.00 . . . . . . A 308 LEU HB2 . 34555 1 769 . 1 . 1 70 70 LEU HB3 H 1 1.329 0.00 . . . . . . A 308 LEU HB3 . 34555 1 770 . 1 . 1 70 70 LEU HG H 1 1.423 0.00 . . . . . . A 308 LEU HG . 34555 1 771 . 1 . 1 70 70 LEU HD11 H 1 0.824 0.01 . . . . . . A 308 LEU HD11 . 34555 1 772 . 1 . 1 70 70 LEU HD12 H 1 0.824 0.01 . . . . . . A 308 LEU HD12 . 34555 1 773 . 1 . 1 70 70 LEU HD13 H 1 0.824 0.01 . . . . . . A 308 LEU HD13 . 34555 1 774 . 1 . 1 70 70 LEU CA C 13 51.114 0.06 . . . . . . A 308 LEU CA . 34555 1 775 . 1 . 1 70 70 LEU CB C 13 40.458 0.07 . . . . . . A 308 LEU CB . 34555 1 776 . 1 . 1 70 70 LEU CG C 13 24.662 0.08 . . . . . . A 308 LEU CG . 34555 1 777 . 1 . 1 70 70 LEU CD1 C 13 22.488 0.21 . . . . . . A 308 LEU CD1 . 34555 1 778 . 1 . 1 70 70 LEU N N 15 129.582 0.01 . . . . . . A 308 LEU N . 34555 1 779 . 1 . 1 71 71 GLY H H 1 8.646 0.00 . . . . . . A 309 GLY H . 34555 1 780 . 1 . 1 71 71 GLY HA2 H 1 3.928 0.00 . . . . . . A 309 GLY HA2 . 34555 1 781 . 1 . 1 71 71 GLY HA3 H 1 3.561 0.00 . . . . . . A 309 GLY HA3 . 34555 1 782 . 1 . 1 71 71 GLY CA C 13 44.544 0.03 . . . . . . A 309 GLY CA . 34555 1 783 . 1 . 1 71 71 GLY N N 15 114.053 0.00 . . . . . . A 309 GLY N . 34555 1 784 . 1 . 1 72 72 ASP H H 1 8.440 0.00 . . . . . . A 310 ASP H . 34555 1 785 . 1 . 1 72 72 ASP HA H 1 4.568 0.00 . . . . . . A 310 ASP HA . 34555 1 786 . 1 . 1 72 72 ASP HB2 H 1 2.820 0.00 . . . . . . A 310 ASP HB2 . 34555 1 787 . 1 . 1 72 72 ASP HB3 H 1 2.631 0.00 . . . . . . A 310 ASP HB3 . 34555 1 788 . 1 . 1 72 72 ASP CA C 13 51.032 0.02 . . . . . . A 310 ASP CA . 34555 1 789 . 1 . 1 72 72 ASP CB C 13 38.311 0.05 . . . . . . A 310 ASP CB . 34555 1 790 . 1 . 1 72 72 ASP N N 15 124.408 0.00 . . . . . . A 310 ASP N . 34555 1 791 . 1 . 1 73 73 ARG H H 1 7.776 0.00 . . . . . . A 311 ARG H . 34555 1 792 . 1 . 1 73 73 ARG HA H 1 4.554 0.01 . . . . . . A 311 ARG HA . 34555 1 793 . 1 . 1 73 73 ARG HB2 H 1 1.987 0.00 . . . . . . A 311 ARG HB2 . 34555 1 794 . 1 . 1 73 73 ARG HB3 H 1 1.987 0.00 . . . . . . A 311 ARG HB3 . 34555 1 795 . 1 . 1 73 73 ARG HG2 H 1 1.664 0.00 . . . . . . A 311 ARG HG2 . 34555 1 796 . 1 . 1 73 73 ARG HG3 H 1 1.601 0.00 . . . . . . A 311 ARG HG3 . 34555 1 797 . 1 . 1 73 73 ARG HD2 H 1 3.127 0.01 . . . . . . A 311 ARG HD2 . 34555 1 798 . 1 . 1 73 73 ARG HD3 H 1 3.127 0.01 . . . . . . A 311 ARG HD3 . 34555 1 799 . 1 . 1 73 73 ARG CA C 13 51.798 0.03 . . . . . . A 311 ARG CA . 34555 1 800 . 1 . 1 73 73 ARG CB C 13 29.541 0.07 . . . . . . A 311 ARG CB . 34555 1 801 . 1 . 1 73 73 ARG CG C 13 23.655 0.07 . . . . . . A 311 ARG CG . 34555 1 802 . 1 . 1 73 73 ARG CD C 13 40.462 0.02 . . . . . . A 311 ARG CD . 34555 1 803 . 1 . 1 73 73 ARG N N 15 119.612 0.00 . . . . . . A 311 ARG N . 34555 1 804 . 1 . 1 74 74 ARG H H 1 8.085 0.00 . . . . . . A 312 ARG H . 34555 1 805 . 1 . 1 74 74 ARG HA H 1 4.955 0.00 . . . . . . A 312 ARG HA . 34555 1 806 . 1 . 1 74 74 ARG HB2 H 1 1.510 0.00 . . . . . . A 312 ARG HB2 . 34555 1 807 . 1 . 1 74 74 ARG HB3 H 1 1.385 0.00 . . . . . . A 312 ARG HB3 . 34555 1 808 . 1 . 1 74 74 ARG HG2 H 1 1.458 0.00 . . . . . . A 312 ARG HG2 . 34555 1 809 . 1 . 1 74 74 ARG HG3 H 1 1.294 0.00 . . . . . . A 312 ARG HG3 . 34555 1 810 . 1 . 1 74 74 ARG HD2 H 1 3.092 0.00 . . . . . . A 312 ARG HD2 . 34555 1 811 . 1 . 1 74 74 ARG HD3 H 1 3.019 0.00 . . . . . . A 312 ARG HD3 . 34555 1 812 . 1 . 1 74 74 ARG CA C 13 51.537 0.03 . . . . . . A 312 ARG CA . 34555 1 813 . 1 . 1 74 74 ARG CB C 13 29.191 0.03 . . . . . . A 312 ARG CB . 34555 1 814 . 1 . 1 74 74 ARG CG C 13 25.600 0.04 . . . . . . A 312 ARG CG . 34555 1 815 . 1 . 1 74 74 ARG CD C 13 40.578 0.02 . . . . . . A 312 ARG CD . 34555 1 816 . 1 . 1 74 74 ARG N N 15 120.260 0.00 . . . . . . A 312 ARG N . 34555 1 817 . 1 . 1 75 75 LEU H H 1 8.583 0.00 . . . . . . A 313 LEU H . 34555 1 818 . 1 . 1 75 75 LEU HA H 1 4.701 0.02 . . . . . . A 313 LEU HA . 34555 1 819 . 1 . 1 75 75 LEU HB2 H 1 2.084 0.00 . . . . . . A 313 LEU HB2 . 34555 1 820 . 1 . 1 75 75 LEU HB3 H 1 1.169 0.00 . . . . . . A 313 LEU HB3 . 34555 1 821 . 1 . 1 75 75 LEU HG H 1 1.825 0.00 . . . . . . A 313 LEU HG . 34555 1 822 . 1 . 1 75 75 LEU HD11 H 1 0.781 0.00 . . . . . . A 313 LEU HD11 . 34555 1 823 . 1 . 1 75 75 LEU HD12 H 1 0.781 0.00 . . . . . . A 313 LEU HD12 . 34555 1 824 . 1 . 1 75 75 LEU HD13 H 1 0.781 0.00 . . . . . . A 313 LEU HD13 . 34555 1 825 . 1 . 1 75 75 LEU HD21 H 1 0.603 0.00 . . . . . . A 313 LEU HD21 . 34555 1 826 . 1 . 1 75 75 LEU HD22 H 1 0.603 0.00 . . . . . . A 313 LEU HD22 . 34555 1 827 . 1 . 1 75 75 LEU HD23 H 1 0.603 0.00 . . . . . . A 313 LEU HD23 . 34555 1 828 . 1 . 1 75 75 LEU CA C 13 52.208 0.14 . . . . . . A 313 LEU CA . 34555 1 829 . 1 . 1 75 75 LEU CB C 13 39.785 0.05 . . . . . . A 313 LEU CB . 34555 1 830 . 1 . 1 75 75 LEU CG C 13 23.754 0.09 . . . . . . A 313 LEU CG . 34555 1 831 . 1 . 1 75 75 LEU CD1 C 13 22.614 0.09 . . . . . . A 313 LEU CD1 . 34555 1 832 . 1 . 1 75 75 LEU CD2 C 13 19.684 0.05 . . . . . . A 313 LEU CD2 . 34555 1 833 . 1 . 1 75 75 LEU N N 15 122.115 0.00 . . . . . . A 313 LEU N . 34555 1 834 . 1 . 1 76 76 VAL H H 1 8.466 0.00 . . . . . . A 314 VAL H . 34555 1 835 . 1 . 1 76 76 VAL HA H 1 4.777 0.01 . . . . . . A 314 VAL HA . 34555 1 836 . 1 . 1 76 76 VAL HB H 1 1.961 0.01 . . . . . . A 314 VAL HB . 34555 1 837 . 1 . 1 76 76 VAL HG11 H 1 1.032 0.00 . . . . . . A 314 VAL HG11 . 34555 1 838 . 1 . 1 76 76 VAL HG12 H 1 1.032 0.00 . . . . . . A 314 VAL HG12 . 34555 1 839 . 1 . 1 76 76 VAL HG13 H 1 1.032 0.00 . . . . . . A 314 VAL HG13 . 34555 1 840 . 1 . 1 76 76 VAL HG21 H 1 0.985 0.00 . . . . . . A 314 VAL HG21 . 34555 1 841 . 1 . 1 76 76 VAL HG22 H 1 0.985 0.00 . . . . . . A 314 VAL HG22 . 34555 1 842 . 1 . 1 76 76 VAL HG23 H 1 0.985 0.00 . . . . . . A 314 VAL HG23 . 34555 1 843 . 1 . 1 76 76 VAL CA C 13 58.242 0.07 . . . . . . A 314 VAL CA . 34555 1 844 . 1 . 1 76 76 VAL CB C 13 31.287 0.05 . . . . . . A 314 VAL CB . 34555 1 845 . 1 . 1 76 76 VAL CG1 C 13 18.232 0.08 . . . . . . A 314 VAL CG1 . 34555 1 846 . 1 . 1 76 76 VAL CG2 C 13 18.175 0.01 . . . . . . A 314 VAL CG2 . 34555 1 847 . 1 . 1 76 76 VAL N N 15 124.646 0.00 . . . . . . A 314 VAL N . 34555 1 848 . 1 . 1 77 77 VAL H H 1 10.875 0.02 . . . . . . A 315 VAL H . 34555 1 849 . 1 . 1 77 77 VAL HA H 1 5.569 0.01 . . . . . . A 315 VAL HA . 34555 1 850 . 1 . 1 77 77 VAL HB H 1 2.048 0.00 . . . . . . A 315 VAL HB . 34555 1 851 . 1 . 1 77 77 VAL HG11 H 1 1.024 0.00 . . . . . . A 315 VAL HG11 . 34555 1 852 . 1 . 1 77 77 VAL HG12 H 1 1.024 0.00 . . . . . . A 315 VAL HG12 . 34555 1 853 . 1 . 1 77 77 VAL HG13 H 1 1.024 0.00 . . . . . . A 315 VAL HG13 . 34555 1 854 . 1 . 1 77 77 VAL HG21 H 1 0.985 0.00 . . . . . . A 315 VAL HG21 . 34555 1 855 . 1 . 1 77 77 VAL HG22 H 1 0.985 0.00 . . . . . . A 315 VAL HG22 . 34555 1 856 . 1 . 1 77 77 VAL HG23 H 1 0.985 0.00 . . . . . . A 315 VAL HG23 . 34555 1 857 . 1 . 1 77 77 VAL CA C 13 58.100 0.04 . . . . . . A 315 VAL CA . 34555 1 858 . 1 . 1 77 77 VAL CB C 13 31.778 0.05 . . . . . . A 315 VAL CB . 34555 1 859 . 1 . 1 77 77 VAL CG1 C 13 20.574 0.03 . . . . . . A 315 VAL CG1 . 34555 1 860 . 1 . 1 77 77 VAL CG2 C 13 19.518 0.16 . . . . . . A 315 VAL CG2 . 34555 1 861 . 1 . 1 77 77 VAL N N 15 129.617 0.00 . . . . . . A 315 VAL N . 34555 1 862 . 1 . 1 78 78 GLN H H 1 8.902 0.00 . . . . . . A 316 GLN H . 34555 1 863 . 1 . 1 78 78 GLN HA H 1 4.679 0.00 . . . . . . A 316 GLN HA . 34555 1 864 . 1 . 1 78 78 GLN HB2 H 1 2.179 0.00 . . . . . . A 316 GLN HB2 . 34555 1 865 . 1 . 1 78 78 GLN HB3 H 1 1.911 0.00 . . . . . . A 316 GLN HB3 . 34555 1 866 . 1 . 1 78 78 GLN HE21 H 1 6.626 0.00 . . . . . . A 316 GLN HE21 . 34555 1 867 . 1 . 1 78 78 GLN HE22 H 1 7.107 0.00 . . . . . . A 316 GLN HE22 . 34555 1 868 . 1 . 1 78 78 GLN CA C 13 51.017 0.01 . . . . . . A 316 GLN CA . 34555 1 869 . 1 . 1 78 78 GLN CB C 13 29.894 0.04 . . . . . . A 316 GLN CB . 34555 1 870 . 1 . 1 78 78 GLN N N 15 120.219 0.00 . . . . . . A 316 GLN N . 34555 1 871 . 1 . 1 78 78 GLN NE2 N 15 110.555 0.00 . . . . . . A 316 GLN NE2 . 34555 1 872 . 1 . 1 79 79 ARG H H 1 8.823 0.00 . . . . . . A 317 ARG H . 34555 1 873 . 1 . 1 79 79 ARG HA H 1 4.299 0.01 . . . . . . A 317 ARG HA . 34555 1 874 . 1 . 1 79 79 ARG HB2 H 1 1.798 0.00 . . . . . . A 317 ARG HB2 . 34555 1 875 . 1 . 1 79 79 ARG HB3 H 1 1.566 0.00 . . . . . . A 317 ARG HB3 . 34555 1 876 . 1 . 1 79 79 ARG HG2 H 1 1.670 0.00 . . . . . . A 317 ARG HG2 . 34555 1 877 . 1 . 1 79 79 ARG HG3 H 1 1.321 0.00 . . . . . . A 317 ARG HG3 . 34555 1 878 . 1 . 1 79 79 ARG HD2 H 1 3.124 0.01 . . . . . . A 317 ARG HD2 . 34555 1 879 . 1 . 1 79 79 ARG HD3 H 1 3.124 0.01 . . . . . . A 317 ARG HD3 . 34555 1 880 . 1 . 1 79 79 ARG CA C 13 55.359 0.07 . . . . . . A 317 ARG CA . 34555 1 881 . 1 . 1 79 79 ARG CB C 13 28.123 0.07 . . . . . . A 317 ARG CB . 34555 1 882 . 1 . 1 79 79 ARG CG C 13 27.317 0.09 . . . . . . A 317 ARG CG . 34555 1 883 . 1 . 1 79 79 ARG CD C 13 40.641 0.06 . . . . . . A 317 ARG CD . 34555 1 884 . 1 . 1 79 79 ARG N N 15 121.561 0.00 . . . . . . A 317 ARG N . 34555 1 885 . 1 . 1 80 80 SER H H 1 8.415 0.00 . . . . . . A 318 SER H . 34555 1 886 . 1 . 1 80 80 SER HA H 1 4.550 0.00 . . . . . . A 318 SER HA . 34555 1 887 . 1 . 1 80 80 SER HB2 H 1 3.763 0.00 . . . . . . A 318 SER HB2 . 34555 1 888 . 1 . 1 80 80 SER HB3 H 1 3.612 0.00 . . . . . . A 318 SER HB3 . 34555 1 889 . 1 . 1 80 80 SER CA C 13 54.521 0.09 . . . . . . A 318 SER CA . 34555 1 890 . 1 . 1 80 80 SER CB C 13 62.329 0.07 . . . . . . A 318 SER CB . 34555 1 891 . 1 . 1 80 80 SER N N 15 117.366 0.01 . . . . . . A 318 SER N . 34555 1 892 . 1 . 1 81 81 ILE H H 1 7.775 0.00 . . . . . . A 319 ILE H . 34555 1 893 . 1 . 1 81 81 ILE HA H 1 4.069 0.00 . . . . . . A 319 ILE HA . 34555 1 894 . 1 . 1 81 81 ILE HB H 1 1.783 0.00 . . . . . . A 319 ILE HB . 34555 1 895 . 1 . 1 81 81 ILE HG12 H 1 1.338 0.00 . . . . . . A 319 ILE HG12 . 34555 1 896 . 1 . 1 81 81 ILE HG13 H 1 1.080 0.00 . . . . . . A 319 ILE HG13 . 34555 1 897 . 1 . 1 81 81 ILE HG21 H 1 0.839 0.00 . . . . . . A 319 ILE HG21 . 34555 1 898 . 1 . 1 81 81 ILE HG22 H 1 0.839 0.00 . . . . . . A 319 ILE HG22 . 34555 1 899 . 1 . 1 81 81 ILE HG23 H 1 0.839 0.00 . . . . . . A 319 ILE HG23 . 34555 1 900 . 1 . 1 81 81 ILE HD11 H 1 0.792 0.00 . . . . . . A 319 ILE HD11 . 34555 1 901 . 1 . 1 81 81 ILE HD12 H 1 0.792 0.00 . . . . . . A 319 ILE HD12 . 34555 1 902 . 1 . 1 81 81 ILE HD13 H 1 0.792 0.00 . . . . . . A 319 ILE HD13 . 34555 1 903 . 1 . 1 81 81 ILE CA C 13 60.535 0.02 . . . . . . A 319 ILE CA . 34555 1 904 . 1 . 1 81 81 ILE CB C 13 36.621 0.04 . . . . . . A 319 ILE CB . 34555 1 905 . 1 . 1 81 81 ILE CG1 C 13 24.596 0.04 . . . . . . A 319 ILE CG1 . 34555 1 906 . 1 . 1 81 81 ILE CG2 C 13 15.471 0.05 . . . . . . A 319 ILE CG2 . 34555 1 907 . 1 . 1 81 81 ILE CD1 C 13 10.960 0.03 . . . . . . A 319 ILE CD1 . 34555 1 908 . 1 . 1 81 81 ILE N N 15 127.641 0.00 . . . . . . A 319 ILE N . 34555 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 34555 _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-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 #FORMAT xeasy3D #INAME 1 H #INAME 2 N #INAME 3 HN #SPECTRUM N15NOESY H N HN 1 8.730 110.372 10.047 1 U 2.46e+06 0 e 0 0 0 0 0 2 6.913 110.382 10.049 1 U 3.15e+06 0 e 0 0 0 0 0 3 5.314 110.342 10.050 1 U 5.18e+05 0 e 0 0 0 0 0 4 4.328 110.365 10.048 1 U 5.27e+06 0 e 0 0 0 0 0 5 3.871 110.366 10.048 1 U 5.96e+06 0 e 0 0 0 0 0 6 2.880 110.367 10.049 1 U 1.32e+06 0 e 0 0 0 0 0 7 2.434 110.362 10.050 1 U 7.44e+05 0 e 0 0 0 0 0 8 2.080 110.354 10.050 1 U 6.53e+05 0 e 0 0 0 0 0 9 1.161 110.355 10.048 1 U 3.74e+06 0 e 0 0 0 0 0 10 0.913 110.358 10.048 1 U 6.37e+05 0 e 0 0 0 0 0 11 0.636 110.359 10.048 1 U 9.66e+05 0 e 0 0 0 0 0 12 0.364 110.359 10.049 1 U 6.57e+05 0 e 0 0 0 0 0 13 1.320 110.361 10.047 1 U 9.51e+05 0 e 0 0 0 0 0 14 0.497 127.036 9.271 1 U 1.85e+06 0 e 0 0 0 0 0 15 0.834 127.038 9.271 1 U 2.41e+06 0 e 0 0 0 0 0 16 1.270 127.041 9.271 1 U 4.08e+06 0 e 0 0 0 0 0 17 1.751 127.039 9.271 1 U 1.45e+07 0 e 0 0 0 0 0 18 2.001 127.038 9.271 1 U 3.44e+06 0 e 0 0 0 0 0 19 2.389 127.036 9.271 1 U 4.74e+06 0 e 0 0 0 0 0 20 2.711 127.046 9.271 1 U 1.52e+06 0 e 0 0 0 0 0 21 4.236 127.040 9.271 1 U 1.85e+07 0 e 0 0 0 0 0 22 4.548 127.035 9.273 1 U 1.3e+06 0 e 0 0 0 0 0 23 5.295 127.015 9.269 1 U 5.77e+05 0 e 0 0 0 0 0 24 6.906 127.048 9.272 1 U 4.55e+05 0 e 0 0 0 0 0 25 8.068 127.024 9.271 1 U 8.96e+05 0 e 0 0 0 0 0 26 8.535 127.084 9.271 1 U 3.34e+05 0 e 0 517 292 291 0 27 8.529 126.136 9.468 1 U 7.22e+05 0 e 0 0 0 0 0 28 8.094 126.137 9.468 1 U 2.18e+06 0 e 0 477 334 333 0 29 7.345 126.103 9.468 1 U 3.49e+05 0 e 0 0 0 0 0 30 6.477 126.122 9.468 1 U 4.2e+05 0 e 0 0 0 0 0 31 2.978 126.141 9.468 1 U 5.22e+06 0 e 0 0 0 0 0 32 2.742 126.137 9.467 1 U 3.24e+06 0 e 0 0 0 0 0 33 1.947 126.159 9.467 1 U 3.38e+05 0 e 0 0 0 0 0 34 1.684 126.137 9.467 1 U 1.31e+06 0 e 0 0 0 0 0 35 1.400 126.135 9.467 1 U 3.49e+06 0 e 0 0 0 0 0 36 1.025 126.132 9.468 1 U 1.47e+06 0 e 0 0 0 0 0 37 0.820 126.142 9.469 1 U 9.71e+05 0 e 0 0 0 0 0 38 0.625 126.142 9.468 1 U 7.5e+06 0 e 0 0 0 0 0 39 -0.415 126.169 9.466 1 U 3.91e+05 0 e 0 0 0 0 0 40 0.498 125.504 9.377 1 U 2.3e+06 0 e 0 0 0 0 0 41 0.831 125.519 9.378 1 U 8.17e+05 0 e 0 0 0 0 0 42 1.313 125.501 9.377 1 U 9.9e+06 0 e 0 0 0 0 0 43 1.546 125.504 9.377 1 U 4.53e+06 0 e 0 0 0 0 0 44 1.745 125.508 9.377 1 U 3.05e+06 0 e 0 0 0 0 0 45 2.162 125.484 9.378 1 U 5.58e+05 0 e 0 0 0 0 0 46 2.406 125.461 9.378 1 U 4.88e+05 0 e 0 0 0 0 0 47 2.901 125.594 9.374 1 U 4.67e+05 0 e 0 0 0 0 0 48 3.091 125.473 9.376 1 U 2.5e+05 0 e 0 0 0 0 0 49 3.410 125.490 9.378 1 U 3.98e+05 0 e 0 0 0 0 0 50 3.885 125.505 9.380 1 U 5.68e+05 0 e 0 0 0 0 0 51 4.170 125.514 9.376 1 U 3.07e+06 0 e 0 298 307 306 0 52 6.450 125.495 9.379 1 U 2.53e+05 0 e 0 0 0 0 0 53 6.892 125.504 9.378 1 U 7.24e+05 0 e 0 0 0 0 0 54 7.532 125.517 9.377 1 U 6.56e+06 0 e 0 0 0 0 0 55 7.776 125.504 9.379 1 U 7.48e+05 0 e 0 0 0 0 0 56 8.530 125.536 9.377 1 U 1.34e+06 0 e 0 0 0 0 0 57 8.523 125.173 9.247 1 U 3.81e+05 0 e 0 0 0 0 0 58 7.771 125.189 9.251 1 U 4.45e+05 0 e 0 0 0 0 0 59 6.895 125.178 9.250 1 U 3.01e+06 0 e 0 0 0 0 0 60 6.471 125.156 9.253 1 U 3.19e+05 0 e 0 0 0 0 0 61 4.375 125.177 9.249 1 U 8e+06 0 e 0 0 0 0 0 62 3.411 125.180 9.250 1 U 2.24e+06 0 e 0 0 0 0 0 63 2.988 125.160 9.251 1 U 4.49e+05 0 e 0 0 0 0 0 64 2.405 125.182 9.250 1 U 4.08e+06 0 e 0 0 0 0 0 65 2.164 125.180 9.250 1 U 3.48e+06 0 e 0 0 0 0 0 66 1.860 125.186 9.252 1 U 1.45e+06 0 e 0 0 0 0 0 67 1.721 125.177 9.250 1 U 1.32e+06 0 e 0 0 0 0 0 68 1.511 125.186 9.251 1 U 6.71e+05 0 e 0 0 0 0 0 69 1.312 125.270 9.254 1 U 6.11e+05 0 e 0 0 0 0 0 70 0.722 125.183 9.249 1 U 1.22e+06 0 e 0 0 0 0 0 71 0.468 125.163 9.250 1 U 8.21e+05 0 e 0 0 0 0 0 72 -0.065 119.858 9.613 1 U 1.74e+06 0 e 0 0 0 0 0 73 1.018 119.855 9.615 1 U 6.66e+05 0 e 0 0 0 0 0 74 0.829 119.878 9.613 1 U 8.47e+05 0 e 0 0 0 0 0 75 0.651 119.884 9.615 1 U 7.99e+05 0 e 0 0 0 0 0 76 0.496 119.888 9.613 1 U 1.11e+06 0 e 0 0 0 0 0 77 1.816 119.865 9.614 1 U 7.57e+05 0 e 0 0 0 0 0 78 1.478 119.875 9.613 1 U 1.45e+06 0 e 0 0 0 0 0 79 3.067 119.867 9.613 1 U 3.81e+06 0 e 0 0 0 0 0 80 2.947 119.867 9.613 1 U 2.98e+06 0 e 0 0 0 0 0 81 4.286 119.876 9.612 1 U 9.73e+05 0 e 0 0 0 0 0 82 5.134 119.871 9.613 1 U 3.55e+06 0 e 0 62 491 489 0 83 6.141 119.868 9.613 1 U 1.07e+07 0 e 0 472 491 489 0 84 6.475 119.865 9.613 1 U 5.89e+06 0 e 0 0 0 0 0 85 6.987 119.885 9.612 1 U 9.23e+05 0 e 0 0 0 0 0 86 7.325 119.863 9.612 1 U 1.03e+06 0 e 0 0 0 0 0 87 -0.064 125.949 8.997 1 U 4.87e+06 0 e 0 0 0 0 0 88 0.709 125.952 8.996 1 U 1.52e+06 0 e 0 0 0 0 0 89 0.430 125.956 8.997 1 U 2.62e+06 0 e 0 0 0 0 0 90 2.155 125.936 8.996 1 U 6.8e+05 0 e 0 0 0 0 0 91 1.814 125.945 8.997 1 U 3.77e+06 0 e 0 0 0 0 0 92 1.483 125.950 8.996 1 U 5.73e+06 0 e 0 0 0 0 0 93 3.063 125.938 8.992 1 U 4.55e+05 0 e 0 0 0 0 0 94 2.928 125.957 8.995 1 U 4.77e+05 0 e 0 0 0 0 0 95 6.134 125.936 8.995 1 U 4.48e+05 0 e 0 0 0 0 0 96 6.478 125.889 8.995 1 U 4.32e+05 0 e 0 0 0 0 0 97 6.986 125.912 8.996 1 U 3.15e+05 0 e 0 0 0 0 0 98 7.343 125.977 8.998 1 U 2.26e+05 0 e 0 0 0 0 0 99 8.391 126.744 8.947 1 U 9.26e+05 0 e 0 0 0 0 0 100 7.577 126.747 8.941 1 U 2.92e+05 0 e 0 0 0 0 0 101 7.331 126.696 8.947 1 U 2.6e+05 0 e 0 0 0 0 0 102 6.986 126.687 8.948 1 U 3.35e+05 0 e 0 0 0 0 0 103 6.812 126.726 8.949 1 U 3.34e+05 0 e 0 0 0 0 0 104 6.590 126.716 8.946 1 U 1.3e+06 0 e 0 0 0 0 0 105 6.134 126.701 8.941 1 U 2.85e+05 0 e 0 0 0 0 0 106 5.559 126.727 8.946 1 U 6.35e+05 0 e 0 0 0 0 0 107 5.402 126.760 8.947 1 U 2.94e+05 0 e 0 0 0 0 0 108 5.158 126.714 8.946 1 U 2.21e+06 0 e 0 0 0 0 0 109 8.027 125.936 8.995 1 U 6.21e+05 0 e 0 0 0 0 0 110 9.615 125.944 8.997 1 U 2.5e+06 0 e 0 489 57 56 0 111 8.997 119.863 9.613 1 U 3.18e+06 0 e 0 56 491 489 0 112 8.281 119.891 9.617 1 U 2.69e+05 0 e 0 0 0 0 0 113 8.084 119.870 9.615 1 U 6.11e+05 0 e 0 0 0 0 0 114 7.786 119.906 9.615 1 U 5.22e+05 0 e 0 0 0 0 0 115 8.091 129.580 8.709 1 U 4.48e+05 0 e 0 0 0 0 0 116 4.895 129.578 8.709 1 U 3.37e+06 0 e 0 0 0 0 0 117 6.923 129.397 7.571 1 U 4.12e+05 0 e 0 459 356 355 0 118 8.510 129.381 7.568 1 U 8.6e+05 0 e 0 0 0 0 0 119 4.145 126.719 8.946 1 U 1.11e+07 0 e 0 50 68 67 0 120 3.758 126.720 8.945 1 U 1.2e+06 0 e 0 0 0 0 0 121 2.947 126.726 8.946 1 U 3.74e+06 0 e 0 0 0 0 0 122 2.782 126.721 8.946 1 U 6.08e+06 0 e 0 0 0 0 0 123 2.182 126.735 8.945 1 U 1.2e+06 0 e 0 0 0 0 0 124 1.861 126.721 8.947 1 U 6.76e+05 0 e 0 0 0 0 0 125 1.503 126.693 8.946 1 U 7.33e+05 0 e 0 0 0 0 0 126 1.342 126.699 8.948 1 U 3.93e+05 0 e 0 0 0 0 0 127 1.028 126.725 8.947 1 U 1.24e+06 0 e 0 0 0 0 0 128 0.798 126.739 8.945 1 U 1.17e+06 0 e 0 0 0 0 0 129 0.489 126.719 8.946 1 U 8.69e+06 0 e 0 0 0 0 0 130 -0.067 126.714 8.946 1 U 9.65e+05 0 e 0 0 0 0 0 131 1.925 129.579 8.710 1 U 8.28e+05 0 e 0 0 0 0 0 132 1.593 129.575 8.709 1 U 3.45e+06 0 e 0 0 0 0 0 133 1.350 129.576 8.709 1 U 7.13e+06 0 e 0 0 0 0 0 134 0.714 129.576 8.709 1 U 3.87e+06 0 e 0 0 0 0 0 135 1.166 129.373 7.568 1 U 6.5e+06 0 e 0 0 0 0 0 136 0.890 129.374 7.568 1 U 7.77e+06 0 e 0 0 0 0 0 137 0.635 129.369 7.569 1 U 5.7e+06 0 e 0 0 0 0 0 138 0.379 129.384 7.570 1 U 4.15e+05 0 e 0 0 0 0 0 139 2.885 129.369 7.571 1 U 5.85e+05 0 e 0 0 0 0 0 140 2.553 129.371 7.569 1 U 3.67e+05 0 e 0 0 0 0 0 141 1.947 129.361 7.567 1 U 8.69e+05 0 e 0 0 0 0 0 142 3.736 129.369 7.569 1 U 2.64e+06 0 e 0 0 0 0 0 143 5.013 129.369 7.568 1 U 1.91e+06 0 e 0 464 356 355 0 144 8.414 127.645 7.774 1 U 6.81e+05 0 e 0 0 0 0 0 145 4.065 127.636 7.777 1 U 4.77e+06 0 e 0 0 0 0 0 146 3.757 127.637 7.777 1 U 1.57e+06 0 e 0 0 0 0 0 147 3.618 127.630 7.777 1 U 1.16e+06 0 e 0 0 0 0 0 148 1.785 127.638 7.776 1 U 5.44e+06 0 e 0 0 0 0 0 149 1.338 127.644 7.776 1 U 2.52e+06 0 e 0 0 0 0 0 150 1.082 127.637 7.776 1 U 3.7e+06 0 e 0 0 0 0 0 151 0.833 127.638 7.776 1 U 3.12e+06 0 e 0 0 0 0 0 152 2.561 126.519 8.383 1 U 3.11e+06 0 e 0 0 0 0 0 153 2.328 126.516 8.383 1 U 3.4e+06 0 e 0 0 0 0 0 154 1.981 126.514 8.383 1 U 1.76e+06 0 e 0 0 0 0 0 155 1.677 126.513 8.383 1 U 7.35e+06 0 e 0 0 0 0 0 156 1.345 126.512 8.383 1 U 9.57e+06 0 e 0 0 0 0 0 157 0.751 126.510 8.383 1 U 2.14e+06 0 e 0 0 0 0 0 158 2.981 126.512 8.531 1 U 1.04e+06 0 e 0 0 0 0 0 159 2.745 126.521 8.531 1 U 1.27e+06 0 e 0 0 0 0 0 160 2.157 126.518 8.534 1 U 8.89e+05 0 e 0 0 0 0 0 161 1.955 126.510 8.532 1 U 8.62e+06 0 e 0 0 0 0 0 162 1.703 126.505 8.535 1 U 7.6e+05 0 e 0 0 0 0 0 163 1.376 126.507 8.532 1 U 2.79e+06 0 e 0 0 0 0 0 164 1.018 126.508 8.534 1 U 1.15e+06 0 e 0 0 0 0 0 165 0.770 126.510 8.532 1 U 6.95e+06 0 e 0 0 0 0 0 166 2.860 125.551 8.500 1 U 3.04e+05 0 e 0 0 0 0 0 167 2.568 125.538 8.498 1 U 5.11e+06 0 e 0 0 0 0 0 168 1.877 125.537 8.498 1 U 7.34e+06 0 e 0 0 0 0 0 169 1.299 125.546 8.497 1 U 8.98e+05 0 e 0 0 0 0 0 170 1.176 125.513 8.498 1 U 1.17e+06 0 e 0 0 0 0 0 171 0.835 125.535 8.498 1 U 6.31e+06 0 e 0 0 0 0 0 172 3.736 125.539 8.498 1 U 1.7e+07 0 e 0 0 0 0 0 173 7.916 126.507 8.382 1 U 1.04e+06 0 e 0 641 655 654 0 174 8.710 126.518 8.384 1 U 7.91e+05 0 e 0 665 655 654 0 175 7.572 126.529 8.530 1 U 6.9e+05 0 e 0 0 0 0 0 176 8.087 126.480 8.536 1 U 4.18e+05 0 e 0 0 0 0 0 177 5.016 126.510 8.531 1 U 1.21e+07 0 e 0 0 0 0 0 178 4.366 126.508 8.532 1 U 2.98e+06 0 e 0 0 0 0 0 179 4.361 125.503 8.498 1 U 3.66e+05 0 e 0 0 0 0 0 180 7.571 125.509 8.498 1 U 7.34e+05 0 e 0 0 0 0 0 181 5.325 125.552 8.496 1 U 3.29e+05 0 e 0 0 0 0 0 182 9.471 126.496 8.531 1 U 7.69e+05 0 e 0 0 0 0 0 183 9.308 124.651 8.466 1 U 2.66e+06 0 e 0 82 725 724 0 184 10.879 124.643 8.467 1 U 3.78e+05 0 e 0 734 725 724 0 185 5.403 124.620 8.464 1 U 1.15e+06 0 e 0 0 0 0 0 186 9.613 123.999 8.289 1 U 2.85e+05 0 e 0 0 0 0 0 187 9.309 124.022 8.285 1 U 6.26e+05 0 e 0 0 0 0 0 188 8.949 124.022 8.289 1 U 8.8e+05 0 e 0 0 0 0 0 189 8.754 124.026 8.287 1 U 3.15e+06 0 e 0 466 78 77 0 190 7.581 124.034 8.287 1 U 3.96e+05 0 e 0 0 0 0 0 191 7.335 124.026 8.285 1 U 6.26e+05 0 e 0 0 0 0 0 192 6.982 124.022 8.287 1 U 1.69e+06 0 e 0 0 0 0 0 193 6.578 124.020 8.285 1 U 1.78e+06 0 e 0 0 0 0 0 194 6.143 124.031 8.288 1 U 1.78e+06 0 e 0 472 78 77 0 195 5.398 124.035 8.287 1 U 3.2e+06 0 e 0 73 78 77 0 196 5.156 124.029 8.287 1 U 1.39e+07 0 e 0 62 78 77 0 197 2.931 124.029 8.287 1 U 2.03e+06 0 e 0 0 0 0 0 198 1.976 124.031 8.287 1 U 2.5e+06 0 e 0 0 0 0 0 199 1.031 124.025 8.288 1 U 2.36e+06 0 e 0 0 0 0 0 200 0.835 124.029 8.287 1 U 1.25e+07 0 e 0 0 0 0 0 201 0.499 124.043 8.288 1 U 1.09e+06 0 e 0 0 0 0 0 202 0.166 124.008 8.288 1 U 2.36e+05 0 e 0 0 0 0 0 203 -0.407 123.926 8.285 1 U 2.39e+05 0 e 0 0 0 0 0 204 1.180 124.643 8.465 1 U 4.56e+06 0 e 0 0 0 0 0 205 0.997 124.646 8.465 1 U 8.06e+06 0 e 0 0 0 0 0 206 0.825 124.644 8.465 1 U 3.69e+06 0 e 0 0 0 0 0 207 0.607 124.647 8.465 1 U 3.8e+06 0 e 0 0 0 0 0 208 1.961 124.643 8.464 1 U 7.09e+06 0 e 0 0 0 0 0 209 3.564 124.421 8.441 1 U 5.27e+06 0 e 0 0 0 0 0 210 3.939 124.408 8.440 1 U 9.75e+06 0 e 0 0 0 0 0 211 1.171 124.013 8.140 1 U 1.58e+07 0 e 0 0 0 0 0 212 0.800 124.026 8.141 1 U 2.01e+06 0 e 0 0 0 0 0 213 0.437 124.019 8.141 1 U 1.66e+06 0 e 0 0 0 0 0 214 2.023 123.986 8.139 1 U 4.57e+05 0 e 0 0 0 0 0 215 1.845 124.032 8.141 1 U 6.78e+05 0 e 0 0 0 0 0 216 1.720 124.006 8.140 1 U 9.28e+05 0 e 0 0 0 0 0 217 1.414 124.031 8.144 1 U 6.8e+05 0 e 0 0 0 0 0 218 4.350 124.015 8.140 1 U 2.28e+06 0 e 0 0 0 0 0 219 3.996 123.987 8.142 1 U 7.73e+05 0 e 0 0 0 0 0 220 3.546 124.012 8.141 1 U 1.3e+06 0 e 0 0 0 0 0 221 3.267 124.018 8.140 1 U 5.24e+06 0 e 0 0 0 0 0 222 3.036 124.010 8.140 1 U 6.47e+05 0 e 0 0 0 0 0 223 2.511 124.016 8.140 1 U 5.35e+06 0 e 0 0 0 0 0 224 2.562 122.313 7.912 1 U 1.37e+06 0 e 0 0 0 0 0 225 2.243 122.320 7.913 1 U 8.94e+06 0 e 0 0 0 0 0 226 1.991 122.321 7.913 1 U 9.03e+06 0 e 0 0 0 0 0 227 1.374 122.346 7.913 1 U 1.06e+06 0 e 0 0 0 0 0 228 1.178 122.328 7.914 1 U 1.5e+06 0 e 0 0 0 0 0 229 0.970 122.309 7.913 1 U 9.8e+05 0 e 0 0 0 0 0 230 0.801 122.324 7.913 1 U 2.51e+06 0 e 0 0 0 0 0 231 0.613 122.359 7.911 1 U 5.86e+05 0 e 0 0 0 0 0 232 4.776 122.253 7.912 1 U 2.25e+05 0 e 0 720 642 641 0 233 4.454 122.327 7.915 1 U 7.71e+05 0 e 0 0 0 0 0 234 4.039 122.321 7.913 1 U 6.9e+06 0 e 0 0 0 0 0 235 3.351 122.311 7.912 1 U 2.09e+06 0 e 0 0 0 0 0 236 3.135 122.262 7.912 1 U 3.86e+05 0 e 0 0 0 0 0 237 7.844 124.010 8.141 1 U 6.86e+06 0 e 0 576 583 582 0 238 7.465 123.991 8.140 1 U 8.08e+05 0 e 0 601 583 582 0 239 7.270 124.011 8.140 1 U 1.05e+06 0 e 0 558 583 582 0 240 6.763 123.975 8.140 1 U 5.8e+05 0 e 0 0 0 0 0 241 8.259 122.320 7.913 1 U 3.86e+06 0 e 0 631 642 641 0 242 8.264 122.119 8.586 1 U 7.24e+05 0 e 0 0 0 0 0 243 8.097 122.070 8.584 1 U 6.88e+05 0 e 0 0 0 0 0 244 4.912 122.124 8.584 1 U 7.83e+06 0 e 0 0 0 0 0 245 4.354 122.124 8.586 1 U 4.42e+05 0 e 0 0 0 0 0 246 3.352 122.129 8.584 1 U 6.86e+05 0 e 0 0 0 0 0 247 3.075 122.162 8.586 1 U 6.35e+05 0 e 0 0 0 0 0 248 2.567 122.162 8.587 1 U 3.69e+05 0 e 0 0 0 0 0 249 2.295 122.123 8.585 1 U 7.37e+05 0 e 0 0 0 0 0 250 2.079 122.128 8.584 1 U 6.48e+06 0 e 0 0 0 0 0 251 1.829 122.127 8.584 1 U 1.06e+07 0 e 0 0 0 0 0 252 1.395 122.126 8.584 1 U 3.87e+06 0 e 0 0 0 0 0 253 1.184 122.131 8.584 1 U 3.52e+06 0 e 0 0 0 0 0 254 0.985 122.114 8.586 1 U 9.69e+05 0 e 0 0 0 0 0 255 0.794 122.129 8.584 1 U 4.37e+06 0 e 0 0 0 0 0 256 0.611 122.132 8.584 1 U 3.62e+06 0 e 0 0 0 0 0 257 3.187 121.199 8.723 1 U 4.79e+06 0 e 0 0 0 0 0 258 2.964 121.189 8.724 1 U 9.66e+05 0 e 0 0 0 0 0 259 2.889 121.185 8.724 1 U 9.76e+05 0 e 0 0 0 0 0 260 2.569 121.200 8.723 1 U 1.2e+06 0 e 0 0 0 0 0 261 2.137 121.196 8.724 1 U 4.49e+06 0 e 0 0 0 0 0 262 1.870 121.200 8.724 1 U 5.81e+06 0 e 0 0 0 0 0 263 1.574 121.237 8.722 1 U 9.52e+05 0 e 0 0 0 0 0 264 1.328 121.190 8.724 1 U 2.05e+06 0 e 0 0 0 0 0 265 1.167 121.203 8.723 1 U 7.58e+05 0 e 0 0 0 0 0 266 0.811 121.227 8.725 1 U 8.16e+05 0 e 0 0 0 0 0 267 3.113 121.564 8.823 1 U 1.55e+06 0 e 0 0 0 0 0 268 2.178 121.561 8.823 1 U 5.34e+06 0 e 0 0 0 0 0 269 1.880 121.559 8.823 1 U 6.17e+06 0 e 0 0 0 0 0 270 1.592 121.561 8.823 1 U 8.96e+06 0 e 0 0 0 0 0 271 1.329 121.554 8.823 1 U 2.71e+06 0 e 0 0 0 0 0 272 1.051 121.553 8.823 1 U 8.15e+05 0 e 0 0 0 0 0 273 0.802 121.561 8.823 1 U 5.33e+06 0 e 0 0 0 0 0 274 0.479 121.577 8.822 1 U 8.23e+05 0 e 0 0 0 0 0 275 4.301 121.555 8.823 1 U 2.92e+06 0 e 0 0 0 0 0 276 4.327 121.197 8.725 1 U 1.09e+06 0 e 0 445 372 371 0 277 4.104 121.206 8.724 1 U 6.54e+05 0 e 0 0 0 0 0 278 6.615 121.538 8.825 1 U 3.1e+05 0 e 0 0 0 0 0 279 5.572 121.496 8.823 1 U 4.3e+05 0 e 0 0 0 0 0 280 7.649 121.190 8.725 1 U 6.22e+05 0 e 0 0 0 0 0 281 8.417 121.578 8.822 1 U 9.72e+05 0 e 0 0 0 0 0 282 1.019 120.221 8.899 1 U 8.76e+06 0 e 0 0 0 0 0 283 0.817 120.222 8.900 1 U 2.49e+06 0 e 0 0 0 0 0 284 0.489 120.227 8.899 1 U 3.77e+06 0 e 0 0 0 0 0 285 -0.074 120.240 8.898 1 U 2.5e+05 0 e 0 0 0 0 0 286 2.181 120.224 8.900 1 U 6.27e+06 0 e 0 0 0 0 0 287 1.933 120.219 8.899 1 U 2.41e+06 0 e 0 0 0 0 0 288 3.369 120.201 8.900 1 U 3.96e+05 0 e 0 0 0 0 0 289 2.941 120.251 8.900 1 U 7.19e+05 0 e 0 0 0 0 0 290 2.783 120.222 8.900 1 U 1.56e+06 0 e 0 0 0 0 0 291 4.134 120.201 8.900 1 U 6.74e+05 0 e 0 0 0 0 0 292 5.565 120.219 8.899 1 U 1.64e+07 0 e 0 730 744 743 0 293 6.594 120.217 8.899 1 U 1.77e+06 0 e 0 0 0 0 0 294 6.323 120.236 8.904 1 U 2.94e+05 0 e 0 0 0 0 0 295 10.854 120.252 8.898 1 U 3.68e+05 0 e 0 0 0 0 0 296 6.592 113.163 9.306 1 U 5.91e+05 0 e 0 0 0 0 0 297 6.318 113.156 9.304 1 U 8.75e+05 0 e 0 0 0 0 0 298 8.467 113.151 9.304 1 U 2.13e+06 0 e 0 724 83 82 0 299 8.297 113.172 9.303 1 U 5.37e+05 0 e 0 0 0 0 0 300 7.962 113.121 9.305 1 U 3.86e+05 0 e 0 0 0 0 0 301 8.917 113.135 9.300 1 U 3.17e+05 0 e 0 0 0 0 0 302 5.590 113.155 9.304 1 U 1.79e+06 0 e 0 730 83 82 0 303 5.400 113.156 9.304 1 U 1.3e+07 0 e 0 73 83 82 0 304 3.603 113.150 9.304 1 U 3.97e+06 0 e 0 0 0 0 0 305 3.052 113.189 9.302 1 U 4.01e+05 0 e 0 0 0 0 0 306 2.900 113.081 9.304 1 U 3.24e+05 0 e 0 0 0 0 0 307 1.968 113.151 9.304 1 U 4.1e+06 0 e 0 0 0 0 0 308 1.199 113.122 9.305 1 U 5.98e+05 0 e 0 0 0 0 0 309 1.007 113.153 9.304 1 U 4.02e+06 0 e 0 0 0 0 0 310 0.841 113.155 9.304 1 U 7.06e+06 0 e 0 0 0 0 0 311 0.605 113.169 9.303 1 U 7.36e+05 0 e 0 0 0 0 0 312 1.248 106.955 7.970 1 U 1.44e+06 0 e 0 0 0 0 0 313 0.970 106.967 7.970 1 U 1.09e+06 0 e 0 0 0 0 0 314 0.852 106.955 7.970 1 U 1.09e+06 0 e 0 0 0 0 0 315 0.578 106.950 7.972 1 U 9.61e+05 0 e 0 0 0 0 0 316 0.376 106.989 7.972 1 U 5.06e+05 0 e 0 0 0 0 0 317 4.370 106.957 7.971 1 U 6.01e+06 0 e 0 0 0 0 0 318 3.881 106.949 7.971 1 U 1.31e+06 0 e 0 0 0 0 0 319 3.608 106.955 7.971 1 U 1.2e+07 0 e 0 81 88 87 0 320 3.077 106.981 7.970 1 U 1.28e+06 0 e 0 0 0 0 0 321 2.874 106.953 7.970 1 U 8.56e+05 0 e 0 0 0 0 0 322 1.959 106.916 7.971 1 U 5.73e+05 0 e 0 0 0 0 0 323 6.869 106.982 7.972 1 U 3.74e+05 0 e 0 0 0 0 0 324 5.647 106.939 7.970 1 U 8.58e+05 0 e 0 454 88 87 0 325 9.313 106.939 7.970 1 U 6.05e+05 0 e 0 0 0 0 0 326 4.361 103.843 7.786 1 U 8.34e+05 0 e 0 0 0 0 0 327 4.075 103.870 7.786 1 U 8.04e+06 0 e 0 0 0 0 0 328 3.604 103.868 7.786 1 U 9.56e+06 0 e 0 0 0 0 0 329 3.381 103.847 7.788 1 U 1.09e+06 0 e 0 0 0 0 0 330 2.512 103.859 7.786 1 U 2.05e+06 0 e 0 0 0 0 0 331 1.728 103.882 7.786 1 U 1.81e+06 0 e 0 0 0 0 0 332 1.447 103.869 7.786 1 U 7.33e+06 0 e 0 0 0 0 0 333 1.172 103.888 7.786 1 U 7.1e+05 0 e 0 0 0 0 0 334 0.835 103.891 7.785 1 U 1.32e+06 0 e 0 0 0 0 0 335 7.459 103.871 7.786 1 U 5.32e+06 0 e 0 601 607 606 0 336 7.173 103.879 7.787 1 U 1.48e+06 0 e 0 0 0 0 0 337 8.079 103.876 7.786 1 U 5.99e+06 0 e 0 595 607 606 0 338 9.379 104.980 7.532 1 U 8.41e+06 0 e 0 0 0 0 0 339 8.094 104.950 7.535 1 U 7.29e+05 0 e 0 0 0 0 0 340 6.918 104.996 7.533 1 U 4.08e+05 0 e 0 0 0 0 0 341 5.120 104.985 7.532 1 U 7.41e+05 0 e 0 0 0 0 0 342 4.547 104.992 7.533 1 U 1.02e+06 0 e 0 0 0 0 0 343 4.143 104.982 7.533 1 U 7.27e+06 0 e 0 0 0 0 0 344 3.810 104.979 7.533 1 U 5.97e+06 0 e 0 0 0 0 0 345 2.924 104.970 7.533 1 U 9.92e+05 0 e 0 0 0 0 0 346 2.393 105.086 7.532 1 U 3.12e+05 0 e 0 0 0 0 0 347 2.156 104.998 7.532 1 U 1.01e+06 0 e 0 0 0 0 0 348 1.734 104.983 7.533 1 U 4.64e+06 0 e 0 0 0 0 0 349 1.543 104.986 7.533 1 U 3.31e+06 0 e 0 0 0 0 0 350 1.306 104.979 7.533 1 U 1.11e+07 0 e 0 0 0 0 0 351 0.834 104.974 7.533 1 U 1.14e+06 0 e 0 0 0 0 0 352 0.499 104.989 7.533 1 U 1.63e+06 0 e 0 0 0 0 0 353 0.446 106.975 7.317 1 U 1.18e+06 0 e 0 0 0 0 0 354 0.804 106.981 7.316 1 U 1.26e+06 0 e 0 0 0 0 0 355 1.162 107.024 7.317 1 U 6.68e+05 0 e 0 0 0 0 0 356 1.748 107.012 7.317 1 U 4.17e+05 0 e 0 0 0 0 0 357 2.103 106.984 7.316 1 U 1.03e+06 0 e 0 0 0 0 0 358 2.294 106.985 7.318 1 U 8.42e+05 0 e 0 0 0 0 0 359 2.668 106.972 7.316 1 U 2.35e+06 0 e 0 0 0 0 0 360 3.025 106.979 7.317 1 U 1.37e+06 0 e 0 0 0 0 0 361 3.619 106.999 7.317 1 U 5.71e+05 0 e 0 0 0 0 0 362 3.857 106.976 7.317 1 U 7.19e+06 0 e 0 0 0 0 0 363 4.079 106.982 7.319 1 U 1.11e+06 0 e 0 0 0 0 0 364 4.280 106.979 7.317 1 U 8.18e+06 0 e 0 0 0 0 0 365 5.292 106.981 7.317 1 U 6.78e+06 0 e 0 0 0 0 0 366 6.896 106.978 7.317 1 U 8.55e+06 0 e 0 266 272 271 0 367 8.074 106.984 7.315 1 U 1.26e+06 0 e 0 280 272 271 0 368 8.652 108.310 7.576 1 U 2.65e+06 0 e 0 0 0 0 0 369 8.375 108.323 7.577 1 U 4.76e+06 0 e 0 0 0 0 0 370 4.328 108.309 7.577 1 U 5.61e+06 0 e 0 0 0 0 0 371 4.086 108.321 7.576 1 U 7.27e+05 0 e 0 0 0 0 0 372 4.155 120.617 6.857 1 U 1.24e+06 0 e 0 0 0 0 0 373 4.452 120.635 6.857 1 U 2.31e+06 0 e 0 0 0 0 0 374 4.657 120.595 6.860 1 U 4.45e+05 0 e 0 0 0 0 0 375 7.579 120.629 6.856 1 U 3.68e+06 0 e 0 0 0 0 0 376 8.151 120.634 6.857 1 U 3.02e+06 0 e 0 0 0 0 0 377 3.189 108.297 7.578 1 U 1.26e+06 0 e 0 0 0 0 0 378 2.948 108.315 7.576 1 U 3.21e+06 0 e 0 0 0 0 0 379 2.141 108.313 7.578 1 U 7.28e+05 0 e 0 0 0 0 0 380 1.562 108.311 7.577 1 U 4.34e+05 0 e 0 0 0 0 0 381 1.131 108.309 7.577 1 U 7.35e+06 0 e 0 0 0 0 0 382 0.800 108.335 7.577 1 U 3.85e+05 0 e 0 0 0 0 0 383 0.703 120.632 6.857 1 U 6.63e+06 0 e 0 0 0 0 0 384 1.348 120.634 6.857 1 U 1.02e+07 0 e 0 0 0 0 0 385 1.732 120.632 6.857 1 U 9.51e+06 0 e 0 0 0 0 0 386 1.935 120.626 6.857 1 U 2.28e+06 0 e 0 0 0 0 0 387 2.223 120.646 6.854 1 U 3.17e+05 0 e 0 0 0 0 0 388 2.431 120.633 6.856 1 U 1.18e+06 0 e 0 0 0 0 0 389 2.845 120.646 6.855 1 U 8.91e+05 0 e 0 0 0 0 0 390 3.223 120.607 6.855 1 U 7.25e+05 0 e 0 0 0 0 0 391 -0.420 118.549 7.148 1 U 3.57e+05 0 e 0 0 0 0 0 392 0.159 118.554 7.152 1 U 6.1e+05 0 e 0 0 0 0 0 393 0.822 118.556 7.149 1 U 1.95e+06 0 e 0 0 0 0 0 394 0.733 118.553 7.150 1 U 1.74e+06 0 e 0 0 0 0 0 395 2.016 118.549 7.150 1 U 4.77e+06 0 e 0 0 0 0 0 396 1.840 118.553 7.150 1 U 9.1e+06 0 e 0 0 0 0 0 397 1.617 118.554 7.150 1 U 8.82e+06 0 e 0 0 0 0 0 398 4.110 118.550 7.150 1 U 5.18e+06 0 e 0 0 0 0 0 399 3.863 118.552 7.149 1 U 1.54e+06 0 e 0 0 0 0 0 400 3.375 118.545 7.149 1 U 2.37e+06 0 e 0 0 0 0 0 401 7.878 118.560 7.149 1 U 4e+06 0 e 0 235 223 222 0 402 8.947 118.541 7.150 1 U 5.5e+05 0 e 0 247 223 222 0 403 8.452 118.515 7.148 1 U 3.48e+05 0 e 0 199 223 222 0 404 7.791 118.212 7.460 1 U 5.56e+06 0 e 0 606 602 601 0 405 8.079 118.205 7.459 1 U 6.17e+06 0 e 0 595 602 601 0 406 4.111 118.207 7.460 1 U 8.13e+06 0 e 0 0 0 0 0 407 4.346 118.205 7.460 1 U 3.32e+06 0 e 0 0 0 0 0 408 3.599 118.218 7.460 1 U 9.86e+05 0 e 0 0 0 0 0 409 3.376 118.207 7.459 1 U 2.32e+06 0 e 0 0 0 0 0 410 2.517 118.242 7.459 1 U 9.6e+05 0 e 0 0 0 0 0 411 1.711 118.209 7.460 1 U 8.79e+06 0 e 0 0 0 0 0 412 1.447 118.208 7.460 1 U 2.29e+07 0 e 0 0 0 0 0 413 1.177 118.203 7.461 1 U 1.19e+06 0 e 0 0 0 0 0 414 0.830 118.209 7.459 1 U 5.74e+06 0 e 0 0 0 0 0 415 0.483 118.172 7.458 1 U 2.51e+05 0 e 0 0 0 0 0 416 8.122 120.532 8.447 1 U 6.88e+06 0 e 0 185 200 199 0 417 7.929 120.536 8.450 1 U 7.79e+05 0 e 0 0 0 0 0 418 7.743 120.540 8.448 1 U 4.76e+06 0 e 0 209 200 199 0 419 7.520 120.511 8.447 1 U 3.53e+05 0 e 0 0 0 0 0 420 7.154 120.495 8.447 1 U 6.61e+05 0 e 0 222 200 199 0 421 4.299 120.546 8.447 1 U 2.56e+06 0 e 0 0 0 0 0 422 4.041 120.551 8.446 1 U 5.46e+05 0 e 0 0 0 0 0 423 3.859 120.582 8.447 1 U 3.97e+05 0 e 0 0 0 0 0 424 3.641 120.549 8.448 1 U 1.21e+06 0 e 0 0 0 0 0 425 3.452 120.536 8.447 1 U 6.89e+06 0 e 0 0 0 0 0 426 2.903 120.428 8.448 1 U 3.97e+05 0 e 0 0 0 0 0 427 2.611 120.548 8.446 1 U 6.34e+05 0 e 0 0 0 0 0 428 2.367 120.554 8.449 1 U 7.4e+05 0 e 0 0 0 0 0 429 2.151 120.541 8.449 1 U 1.17e+06 0 e 0 0 0 0 0 430 1.898 120.536 8.447 1 U 1.47e+07 0 e 0 0 0 0 0 431 1.312 120.540 8.448 1 U 2.18e+06 0 e 0 0 0 0 0 432 0.693 120.535 8.447 1 U 5.46e+06 0 e 0 0 0 0 0 433 -0.419 120.501 8.445 1 U 5.22e+05 0 e 0 0 0 0 0 434 0.684 119.645 8.632 1 U 5.2e+06 0 e 0 0 0 0 0 435 1.333 119.653 8.632 1 U 5.91e+06 0 e 0 0 0 0 0 436 1.847 119.648 8.632 1 U 3.3e+06 0 e 0 0 0 0 0 437 2.238 119.644 8.633 1 U 5.68e+06 0 e 0 0 0 0 0 438 2.588 119.663 8.632 1 U 1.61e+06 0 e 0 0 0 0 0 439 2.851 119.646 8.632 1 U 3.01e+06 0 e 0 0 0 0 0 440 3.261 119.648 8.633 1 U 2.07e+06 0 e 0 0 0 0 0 441 4.018 119.641 8.633 1 U 8.53e+05 0 e 0 0 0 0 0 442 4.454 119.647 8.632 1 U 1.18e+07 0 e 0 0 0 0 0 443 4.266 119.655 8.635 1 U 8.15e+05 0 e 0 0 0 0 0 444 0.679 119.756 7.945 1 U 1.53e+06 0 e 0 0 0 0 0 445 1.338 119.749 7.944 1 U 4.74e+05 0 e 0 0 0 0 0 446 2.052 119.745 7.944 1 U 7.15e+06 0 e 0 0 0 0 0 447 2.394 119.745 7.946 1 U 2.06e+06 0 e 0 0 0 0 0 448 2.644 119.741 7.945 1 U 1.78e+07 0 e 0 0 0 0 0 449 2.871 119.752 7.947 1 U 1.33e+06 0 e 0 0 0 0 0 450 3.257 119.748 7.945 1 U 1.99e+06 0 e 0 0 0 0 0 451 3.629 119.739 7.945 1 U 2.66e+06 0 e 0 0 0 0 0 452 4.023 119.738 7.946 1 U 7.39e+05 0 e 0 0 0 0 0 453 4.299 119.742 7.945 1 U 8.05e+06 0 e 0 0 0 0 0 454 1.241 118.605 8.646 1 U 1.11e+06 0 e 0 0 0 0 0 455 2.145 118.631 8.648 1 U 3.73e+05 0 e 0 0 0 0 0 456 3.189 118.606 8.645 1 U 5.52e+05 0 e 0 0 0 0 0 457 2.948 118.584 8.647 1 U 5.04e+06 0 e 0 0 0 0 0 458 7.410 119.719 7.946 1 U 7.23e+05 0 e 0 0 0 0 0 459 6.982 119.761 7.943 1 U 6.43e+05 0 e 0 0 0 0 0 460 8.636 119.739 7.944 1 U 4.6e+06 0 e 0 155 163 162 0 461 8.244 119.753 7.946 1 U 8.13e+06 0 e 0 174 163 162 0 462 7.578 118.604 8.648 1 U 3.59e+06 0 e 0 0 0 0 0 463 7.829 118.555 8.646 1 U 3.78e+05 0 e 0 0 0 0 0 464 4.315 118.583 8.647 1 U 1.34e+06 0 e 0 0 0 0 0 465 4.086 118.593 8.647 1 U 2.04e+06 0 e 0 0 0 0 0 466 1.471 120.770 8.027 1 U 2.99e+06 0 e 0 0 0 0 0 467 1.799 120.787 8.026 1 U 1.2e+07 0 e 0 0 0 0 0 468 2.593 120.780 8.026 1 U 7.15e+05 0 e 0 0 0 0 0 469 2.788 120.821 8.026 1 U 4.62e+05 0 e 0 0 0 0 0 470 3.001 120.792 8.026 1 U 6.45e+05 0 e 0 0 0 0 0 471 3.981 120.777 8.026 1 U 1.46e+06 0 e 0 0 0 0 0 472 4.281 120.797 8.027 1 U 3.7e+06 0 e 0 0 0 0 0 473 8.592 120.779 8.030 1 U 8.67e+05 0 e 0 0 0 0 0 474 8.992 120.826 8.024 1 U 6.37e+05 0 e 0 0 0 0 0 475 7.515 120.500 8.085 1 U 2.16e+06 0 e 0 0 0 0 0 476 7.795 120.498 8.082 1 U 6.18e+06 0 e 0 0 0 0 0 477 8.526 120.531 8.080 1 U 5.59e+06 0 e 0 0 0 0 0 478 8.643 120.588 8.125 1 U 7.73e+05 0 e 0 155 186 185 0 479 8.452 120.601 8.123 1 U 6.49e+06 0 e 0 199 186 185 0 480 6.882 120.415 8.081 1 U 4.68e+05 0 e 0 0 0 0 0 481 4.122 120.562 8.085 1 U 1.45e+07 0 e 0 0 0 0 0 482 3.810 120.556 8.085 1 U 8.97e+06 0 e 0 0 0 0 0 483 3.604 120.565 8.081 1 U 2.83e+06 0 e 0 0 0 0 0 484 3.375 120.601 8.123 1 U 5.37e+06 0 e 0 0 0 0 0 485 3.625 120.603 8.121 1 U 2.71e+06 0 e 0 0 0 0 0 486 3.117 120.372 8.083 1 U 2.16e+06 0 e 0 0 0 0 0 487 2.595 120.593 8.122 1 U 1.35e+06 0 e 0 0 0 0 0 488 2.234 120.599 8.123 1 U 4.05e+06 0 e 0 0 0 0 0 489 1.864 120.598 8.123 1 U 1.55e+07 0 e 0 0 0 0 0 490 1.723 120.534 8.081 1 U 1.64e+07 0 e 0 0 0 0 0 491 1.412 120.409 8.084 1 U 1.55e+07 0 e 0 0 0 0 0 492 1.998 120.288 8.084 1 U 6.37e+06 0 e 0 0 0 0 0 493 2.519 120.581 8.080 1 U 9.12e+05 0 e 0 0 0 0 0 494 0.828 120.530 8.082 1 U 6.69e+06 0 e 0 0 0 0 0 495 0.820 120.597 8.122 1 U 1.32e+07 0 e 0 0 0 0 0 496 0.623 120.597 8.123 1 U 5.22e+06 0 e 0 0 0 0 0 497 0.784 119.998 8.247 1 U 1.76e+06 0 e 0 0 0 0 0 498 0.696 119.989 8.247 1 U 1.87e+06 0 e 0 0 0 0 0 499 1.323 119.998 8.247 1 U 1.18e+06 0 e 0 0 0 0 0 500 1.856 119.999 8.247 1 U 6.06e+06 0 e 0 0 0 0 0 501 2.247 119.998 8.247 1 U 8.97e+06 0 e 0 0 0 0 0 502 2.601 119.998 8.246 1 U 1.34e+07 0 e 0 0 0 0 0 503 3.352 119.987 8.247 1 U 6.53e+05 0 e 0 0 0 0 0 504 3.626 120.021 8.247 1 U 8.19e+05 0 e 0 0 0 0 0 505 4.021 119.998 8.247 1 U 5.09e+06 0 e 0 0 0 0 0 506 4.300 119.994 8.247 1 U 2.11e+06 0 e 0 0 0 0 0 507 3.938 119.608 7.774 1 U 1.44e+06 0 e 0 0 0 0 0 508 3.556 119.601 7.774 1 U 6.59e+05 0 e 0 0 0 0 0 509 3.135 119.605 7.774 1 U 1.62e+06 0 e 0 0 0 0 0 510 2.826 119.602 7.775 1 U 9.46e+05 0 e 0 0 0 0 0 511 2.623 119.620 7.775 1 U 9.09e+05 0 e 0 0 0 0 0 512 1.955 119.614 7.775 1 U 7.63e+06 0 e 0 0 0 0 0 513 1.645 119.615 7.775 1 U 5.9e+06 0 e 0 0 0 0 0 514 1.365 119.619 7.775 1 U 1.34e+06 0 e 0 0 0 0 0 515 0.700 119.614 7.775 1 U 3.07e+06 0 e 0 0 0 0 0 516 7.945 119.990 8.247 1 U 7.29e+06 0 e 0 162 175 174 0 517 8.633 119.988 8.246 1 U 1.87e+06 0 e 0 155 175 174 0 518 8.443 119.613 7.775 1 U 5.52e+06 0 e 0 0 0 0 0 519 4.482 119.547 8.467 1 U 4.65e+05 0 e 0 0 0 0 0 520 4.325 119.533 8.466 1 U 1.33e+06 0 e 0 0 0 0 0 521 9.372 119.105 8.528 1 U 2.24e+06 0 e 0 0 0 0 0 522 8.915 119.091 8.527 1 U 3.16e+06 0 e 0 0 0 0 0 523 6.895 119.090 8.527 1 U 2.07e+06 0 e 0 0 0 0 0 524 1.982 119.530 8.468 1 U 1.43e+06 0 e 0 0 0 0 0 525 1.351 119.503 8.469 1 U 5.24e+05 0 e 0 0 0 0 0 526 0.492 119.089 8.527 1 U 1.26e+06 0 e 0 0 0 0 0 527 0.431 119.439 7.705 1 U 7.63e+06 0 e 0 0 0 0 0 528 0.794 119.438 7.705 1 U 1.2e+07 0 e 0 0 0 0 0 529 1.150 119.426 7.705 1 U 6.69e+05 0 e 0 0 0 0 0 530 2.028 119.443 7.705 1 U 8.91e+06 0 e 0 0 0 0 0 531 2.570 119.446 7.706 1 U 5.86e+05 0 e 0 0 0 0 0 532 2.407 119.437 7.704 1 U 8.39e+05 0 e 0 0 0 0 0 533 3.540 119.430 7.704 1 U 7.31e+05 0 e 0 0 0 0 0 534 3.101 119.434 7.705 1 U 1.22e+06 0 e 0 0 0 0 0 535 4.318 119.435 7.705 1 U 2.97e+06 0 e 0 0 0 0 0 536 3.988 119.439 7.705 1 U 6.8e+06 0 e 0 0 0 0 0 537 5.135 119.429 7.706 1 U 2.78e+05 0 e 0 0 0 0 0 538 7.289 119.452 7.705 1 U 6.23e+06 0 e 0 558 551 550 0 539 8.551 119.435 7.704 1 U 4.23e+06 0 e 0 540 551 550 0 540 8.531 118.963 8.911 1 U 3.36e+06 0 e 0 0 0 0 0 541 6.897 118.981 8.912 1 U 1.02e+06 0 e 0 0 0 0 0 542 0.802 119.154 8.528 1 U 8.55e+05 0 e 0 0 0 0 0 543 1.744 119.160 8.526 1 U 8.23e+05 0 e 0 0 0 0 0 544 1.546 119.093 8.528 1 U 1.89e+06 0 e 0 0 0 0 0 545 1.314 119.101 8.527 1 U 1.86e+06 0 e 0 0 0 0 0 546 4.188 119.042 8.526 1 U 4.6e+05 0 e 0 298 518 517 0 547 3.910 119.091 8.527 1 U 4.12e+06 0 e 0 0 0 0 0 548 3.412 119.110 8.528 1 U 2.96e+06 0 e 0 0 0 0 0 549 3.077 119.097 8.527 1 U 3.49e+06 0 e 0 0 0 0 0 550 2.812 119.091 8.527 1 U 5.46e+06 0 e 0 0 0 0 0 551 2.398 119.087 8.527 1 U 2.27e+06 0 e 0 0 0 0 0 552 2.000 119.091 8.527 1 U 1.41e+06 0 e 0 0 0 0 0 553 0.435 118.932 8.911 1 U 8.89e+05 0 e 0 0 0 0 0 554 0.793 118.939 8.912 1 U 2.18e+06 0 e 0 0 0 0 0 555 0.796 118.469 8.955 1 U 4.25e+06 0 e 0 0 0 0 0 556 2.026 118.955 8.912 1 U 1.23e+06 0 e 0 0 0 0 0 557 2.567 118.956 8.912 1 U 5.89e+06 0 e 0 0 0 0 0 558 2.405 118.936 8.913 1 U 2.44e+06 0 e 0 0 0 0 0 559 3.412 118.962 8.912 1 U 3.79e+06 0 e 0 0 0 0 0 560 3.098 118.964 8.912 1 U 9.23e+06 0 e 0 0 0 0 0 561 2.812 118.958 8.912 1 U 3.85e+06 0 e 0 0 0 0 0 562 4.315 118.999 8.913 1 U 3.3e+05 0 e 0 0 0 0 0 563 3.928 118.966 8.912 1 U 1.69e+06 0 e 0 0 0 0 0 564 5.134 118.961 8.911 1 U 3.55e+06 0 e 0 0 0 0 0 565 8.376 118.795 7.658 1 U 2.77e+06 0 e 0 0 0 0 0 566 8.718 118.778 7.657 1 U 6.18e+05 0 e 0 0 0 0 0 567 8.948 118.806 7.656 1 U 4.58e+05 0 e 0 0 0 0 0 568 3.187 118.803 7.659 1 U 1.85e+06 0 e 0 0 0 0 0 569 3.005 118.821 7.660 1 U 9.96e+05 0 e 0 0 0 0 0 570 2.800 118.832 7.658 1 U 9.53e+05 0 e 0 0 0 0 0 571 1.134 118.809 7.659 1 U 1.2e+06 0 e 0 0 0 0 0 572 0.791 118.826 7.658 1 U 3.57e+06 0 e 0 0 0 0 0 573 2.136 118.799 7.659 1 U 9.65e+05 0 e 0 0 0 0 0 574 1.811 118.795 7.659 1 U 1.22e+06 0 e 0 0 0 0 0 575 1.550 118.802 7.659 1 U 1.05e+07 0 e 0 0 0 0 0 576 0.152 118.431 8.753 1 U 2.51e+05 0 e 0 0 0 0 0 577 1.260 118.426 8.752 1 U 8.5e+05 0 e 0 0 0 0 0 578 1.027 118.403 8.751 1 U 6.21e+06 0 e 0 0 0 0 0 579 0.834 118.404 8.751 1 U 8.38e+06 0 e 0 0 0 0 0 580 0.609 118.423 8.752 1 U 1.51e+06 0 e 0 0 0 0 0 581 0.367 118.405 8.750 1 U 2.66e+06 0 e 0 0 0 0 0 582 1.981 118.396 8.749 1 U 7.68e+05 0 e 0 0 0 0 0 583 3.069 118.414 8.751 1 U 3.37e+06 0 e 0 0 0 0 0 584 2.881 118.408 8.751 1 U 5.59e+06 0 e 0 0 0 0 0 585 3.607 118.386 8.750 1 U 6.97e+05 0 e 0 81 467 466 0 586 5.651 118.406 8.751 1 U 1.11e+07 0 e 0 454 467 466 0 587 6.866 118.414 8.751 1 U 2.18e+06 0 e 0 0 0 0 0 588 6.576 118.397 8.750 1 U 4.79e+05 0 e 0 0 0 0 0 589 6.326 118.412 8.752 1 U 6.37e+05 0 e 0 0 0 0 0 590 7.558 118.465 8.752 1 U 4.23e+05 0 e 0 0 0 0 0 591 8.288 118.406 8.750 1 U 3.33e+06 0 e 0 77 467 466 0 592 8.093 118.386 8.752 1 U 7.2e+05 0 e 0 0 0 0 0 593 8.149 118.628 8.958 1 U 1.39e+06 0 e 0 0 0 0 0 594 7.656 118.559 8.958 1 U 6.35e+05 0 e 0 0 0 0 0 595 2.875 118.645 8.957 1 U 1.68e+06 0 e 0 0 0 0 0 596 2.436 118.638 8.957 1 U 2.69e+06 0 e 0 0 0 0 0 597 1.558 118.595 8.957 1 U 7.13e+06 0 e 0 0 0 0 0 598 -0.418 118.188 8.950 1 U 1.11e+06 0 e 0 0 0 0 0 599 0.166 118.179 8.950 1 U 9.97e+05 0 e 0 0 0 0 0 600 2.709 118.171 8.951 1 U 3.37e+06 0 e 0 0 0 0 0 601 2.541 118.220 8.951 1 U 2.67e+06 0 e 0 0 0 0 0 602 2.277 118.178 8.951 1 U 6.31e+06 0 e 0 0 0 0 0 603 2.120 118.184 8.951 1 U 6.24e+06 0 e 0 0 0 0 0 604 1.082 118.211 8.951 1 U 2.68e+06 0 e 0 0 0 0 0 605 0.520 118.189 8.952 1 U 1.27e+06 0 e 0 0 0 0 0 606 4.124 118.251 8.952 1 U 3.11e+06 0 e 0 0 0 0 0 607 3.860 118.181 8.951 1 U 2.09e+06 0 e 0 0 0 0 0 608 3.459 118.187 8.951 1 U 1.55e+06 0 e 0 0 0 0 0 609 5.297 118.247 8.952 1 U 5.66e+06 0 e 0 0 0 0 0 610 7.868 118.176 8.950 1 U 6.98e+06 0 e 0 235 248 247 0 611 7.414 118.184 8.951 1 U 4.09e+06 0 e 0 255 248 247 0 612 7.152 118.321 8.952 1 U 1.26e+06 0 e 0 222 248 247 0 613 6.897 118.248 8.952 1 U 7.83e+05 0 e 0 266 248 247 0 614 7.766 118.226 8.595 1 U 4.35e+05 0 e 0 0 0 0 0 615 7.937 119.679 8.631 1 U 3.24e+05 0 e 0 162 143 142 0 616 7.416 119.611 8.632 1 U 7.04e+05 0 e 0 0 0 0 0 617 6.862 119.648 8.631 1 U 6.71e+05 0 e 0 133 143 142 0 618 4.299 118.110 8.594 1 U 3.62e+05 0 e 0 0 0 0 0 619 3.974 118.165 8.599 1 U 5.2e+06 0 e 0 0 0 0 0 620 2.604 118.168 8.599 1 U 1.72e+06 0 e 0 0 0 0 0 621 1.793 118.186 8.600 1 U 6.67e+05 0 e 0 0 0 0 0 622 2.171 118.091 8.597 1 U 2.88e+05 0 e 0 0 0 0 0 623 1.337 118.336 8.613 1 U 3.73e+05 0 e 0 0 0 0 0 624 1.361 118.020 8.525 1 U 2.17e+06 0 e 0 0 0 0 0 625 1.004 118.034 8.524 1 U 3.28e+06 0 e 0 0 0 0 0 626 0.826 117.970 8.523 1 U 3.81e+06 0 e 0 0 0 0 0 627 2.047 118.023 8.524 1 U 2.92e+06 0 e 0 0 0 0 0 628 1.759 118.021 8.524 1 U 4.09e+06 0 e 0 0 0 0 0 629 3.357 118.031 8.525 1 U 8.79e+06 0 e 0 0 0 0 0 630 3.152 118.034 8.525 1 U 7.66e+06 0 e 0 0 0 0 0 631 6.910 117.922 8.523 1 U 5.47e+05 0 e 0 0 0 0 0 632 7.841 117.743 8.517 1 U 4.82e+06 0 e 0 576 566 565 0 633 7.579 117.400 8.467 1 U 3.4e+06 0 e 0 0 0 0 0 634 7.290 117.712 8.515 1 U 2.51e+06 0 e 0 558 566 565 0 635 4.515 117.402 8.466 1 U 8.19e+06 0 e 0 0 0 0 0 636 4.717 117.417 8.468 1 U 1.01e+06 0 e 0 0 0 0 0 637 6.860 117.387 8.467 1 U 4.15e+05 0 e 0 0 0 0 0 638 7.114 117.393 8.463 1 U 5.08e+05 0 e 0 0 0 0 0 639 2.430 117.438 8.468 1 U 2.7e+06 0 e 0 0 0 0 0 640 4.146 117.374 8.468 1 U 3.7e+06 0 e 0 0 0 0 0 641 3.845 117.375 8.466 1 U 4.31e+05 0 e 0 0 0 0 0 642 1.941 117.394 8.466 1 U 2.02e+06 0 e 0 0 0 0 0 643 0.793 117.404 8.467 1 U 8.55e+05 0 e 0 0 0 0 0 644 1.160 117.388 8.467 1 U 1.07e+07 0 e 0 0 0 0 0 645 1.604 117.366 8.464 1 U 6.81e+05 0 e 0 0 0 0 0 646 0.428 117.706 8.518 1 U 5.57e+05 0 e 0 0 0 0 0 647 2.409 117.712 8.516 1 U 8.83e+06 0 e 0 0 0 0 0 648 1.134 117.712 8.516 1 U 4.04e+06 0 e 0 0 0 0 0 649 1.249 117.328 7.866 1 U 1.22e+07 0 e 0 0 0 0 0 650 0.916 117.332 7.866 1 U 5.84e+06 0 e 0 0 0 0 0 651 0.549 117.325 7.866 1 U 4.08e+06 0 e 0 0 0 0 0 652 0.369 117.327 7.866 1 U 3.85e+06 0 e 0 0 0 0 0 653 1.992 117.310 7.862 1 U 7.24e+05 0 e 0 0 0 0 0 654 1.640 117.329 7.867 1 U 5.5e+05 0 e 0 0 0 0 0 655 4.356 117.326 7.867 1 U 3.37e+06 0 e 0 0 0 0 0 656 3.888 117.332 7.866 1 U 6.71e+06 0 e 0 0 0 0 0 657 3.570 117.322 7.867 1 U 3.69e+06 0 e 0 0 0 0 0 658 3.279 117.331 7.866 1 U 9.17e+05 0 e 0 0 0 0 0 659 3.081 117.303 7.865 1 U 6.16e+05 0 e 0 0 0 0 0 660 2.892 117.337 7.865 1 U 4.24e+05 0 e 0 0 0 0 0 661 0.159 117.313 7.866 1 U 2.53e+05 0 e 0 0 0 0 0 662 5.650 117.341 7.866 1 U 1e+06 0 e 0 0 0 0 0 663 6.913 117.315 7.864 1 U 4.97e+05 0 e 0 0 0 0 0 664 10.064 117.429 7.867 1 U 3.06e+05 0 e 0 0 0 0 0 665 10.850 118.017 8.525 1 U 2.51e+05 0 e 0 734 627 626 0 666 9.326 118.457 8.754 1 U 2.68e+05 0 e 0 0 0 0 0 667 9.273 117.352 8.068 1 U 1.14e+06 0 e 0 0 0 0 0 668 8.948 117.357 8.412 1 U 1.47e+06 0 e 0 0 0 0 0 669 7.782 117.391 8.414 1 U 8.21e+05 0 e 0 0 0 0 0 670 8.049 117.373 8.415 1 U 6.65e+05 0 e 0 43 764 763 0 671 7.337 117.351 8.411 1 U 2.67e+05 0 e 0 0 0 0 0 672 4.607 117.373 8.413 1 U 1.4e+06 0 e 0 0 0 0 0 673 4.153 117.365 8.413 1 U 5.02e+06 0 e 0 50 764 763 0 674 6.048 117.722 8.517 1 U 6.03e+05 0 e 0 0 0 0 0 675 3.755 117.363 8.412 1 U 3.03e+06 0 e 0 0 0 0 0 676 3.611 117.366 8.412 1 U 4.35e+06 0 e 0 0 0 0 0 677 3.128 117.420 8.413 1 U 6.3e+05 0 e 0 0 0 0 0 678 3.006 116.683 8.374 1 U 2.94e+06 0 e 0 0 0 0 0 679 2.783 117.319 8.416 1 U 4.95e+05 0 e 0 0 0 0 0 680 0.481 117.357 8.412 1 U 1.26e+06 0 e 0 0 0 0 0 681 0.789 117.379 8.412 1 U 9.98e+05 0 e 0 0 0 0 0 682 1.803 117.359 8.412 1 U 4.36e+06 0 e 0 0 0 0 0 683 1.567 117.358 8.413 1 U 2.17e+06 0 e 0 0 0 0 0 684 1.332 117.370 8.413 1 U 1.83e+06 0 e 0 0 0 0 0 685 2.175 117.338 8.410 1 U 5.35e+05 0 e 0 0 0 0 0 686 3.180 117.232 8.473 1 U 8.19e+05 0 e 0 0 0 0 0 687 -0.060 117.353 8.412 1 U 2.31e+05 0 e 0 0 0 0 0 688 2.010 117.333 8.068 1 U 1.94e+07 0 e 0 0 0 0 0 689 2.392 117.322 8.068 1 U 3.96e+06 0 e 0 0 0 0 0 690 3.074 117.291 8.070 1 U 4.46e+05 0 e 0 0 0 0 0 691 2.778 117.324 8.070 1 U 4.77e+05 0 e 0 0 0 0 0 692 4.258 117.324 8.068 1 U 1.48e+07 0 e 0 0 0 0 0 693 3.856 117.333 8.068 1 U 1.19e+07 0 e 0 0 0 0 0 694 6.895 117.328 8.068 1 U 9.45e+05 0 e 0 266 281 280 0 695 7.323 117.298 8.069 1 U 1.26e+06 0 e 0 0 0 0 0 696 2.126 117.059 8.481 1 U 7.66e+05 0 e 0 0 0 0 0 697 2.990 117.035 8.479 1 U 6.93e+05 0 e 0 0 0 0 0 698 0.667 116.735 8.633 1 U 5.47e+06 0 e 0 0 0 0 0 699 1.835 116.734 8.635 1 U 1.27e+06 0 e 0 0 0 0 0 700 3.257 116.734 8.633 1 U 1.07e+07 0 e 0 0 0 0 0 701 2.851 116.735 8.633 1 U 6.11e+06 0 e 0 0 0 0 0 702 2.629 116.727 8.634 1 U 8.82e+05 0 e 0 0 0 0 0 703 2.405 116.731 8.633 1 U 1.71e+06 0 e 0 0 0 0 0 704 3.629 116.738 8.633 1 U 6.49e+06 0 e 0 0 0 0 0 705 4.314 116.653 8.632 1 U 3.81e+05 0 e 0 0 0 0 0 706 7.402 116.723 8.630 1 U 6.57e+05 0 e 0 0 0 0 0 707 7.944 116.742 8.633 1 U 3.66e+06 0 e 0 162 156 155 0 708 8.255 116.724 8.634 1 U 5.85e+05 0 e 0 174 156 155 0 709 7.604 116.684 8.373 1 U 7.5e+06 0 e 0 0 0 0 0 710 4.091 116.687 8.374 1 U 2.01e+06 0 e 0 0 0 0 0 711 3.202 116.690 8.374 1 U 8.05e+05 0 e 0 0 0 0 0 712 2.799 116.682 8.374 1 U 3.6e+06 0 e 0 0 0 0 0 713 0.794 116.663 8.375 1 U 8.91e+05 0 e 0 0 0 0 0 714 1.134 116.693 8.374 1 U 2e+06 0 e 0 0 0 0 0 715 1.547 116.696 8.372 1 U 1.34e+06 0 e 0 0 0 0 0 716 1.813 116.780 8.376 1 U 9.17e+05 0 e 0 0 0 0 0 717 2.142 116.725 8.376 1 U 5.16e+05 0 e 0 0 0 0 0 718 0.696 116.631 7.744 1 U 1.07e+06 0 e 0 0 0 0 0 719 2.323 116.636 7.743 1 U 3.53e+06 0 e 0 0 0 0 0 720 2.006 116.632 7.743 1 U 1.7e+07 0 e 0 0 0 0 0 721 1.771 116.629 7.743 1 U 4.01e+06 0 e 0 0 0 0 0 722 1.196 116.629 7.743 1 U 1.39e+06 0 e 0 0 0 0 0 723 2.616 116.610 7.743 1 U 7.13e+05 0 e 0 0 0 0 0 724 4.301 116.632 7.744 1 U 1.12e+06 0 e 0 0 0 0 0 725 4.036 116.626 7.743 1 U 2.23e+06 0 e 0 0 0 0 0 726 3.860 116.633 7.743 1 U 6.58e+06 0 e 0 0 0 0 0 727 3.447 116.634 7.742 1 U 2.11e+06 0 e 0 0 0 0 0 728 2.508 116.743 8.073 1 U 1.95e+06 0 e 0 0 0 0 0 729 1.868 116.720 8.073 1 U 9.97e+06 0 e 0 0 0 0 0 730 1.716 116.708 8.074 1 U 1.17e+07 0 e 0 0 0 0 0 731 1.446 116.723 8.075 1 U 1.54e+06 0 e 0 0 0 0 0 732 1.167 116.711 8.073 1 U 8.14e+06 0 e 0 0 0 0 0 733 0.796 116.715 8.073 1 U 1.19e+07 0 e 0 0 0 0 0 734 0.464 116.846 8.074 1 U 1.17e+06 0 e 0 0 0 0 0 735 3.569 116.787 8.076 1 U 6.47e+05 0 e 0 0 0 0 0 736 3.380 116.712 8.074 1 U 5.32e+06 0 e 0 0 0 0 0 737 7.458 116.721 8.074 1 U 4.96e+06 0 e 0 601 596 595 0 738 6.898 116.658 7.415 1 U 5.59e+06 0 e 0 266 256 255 0 739 8.953 116.643 7.414 1 U 5.88e+06 0 e 0 247 256 255 0 740 5.293 116.638 7.415 1 U 2.75e+06 0 e 0 0 0 0 0 741 4.307 116.687 7.419 1 U 3.95e+05 0 e 0 0 0 0 0 742 4.087 116.646 7.415 1 U 8.69e+06 0 e 0 0 0 0 0 743 3.866 116.622 7.419 1 U 8.14e+05 0 e 0 0 0 0 0 744 3.607 116.645 7.415 1 U 8.63e+06 0 e 0 0 0 0 0 745 3.016 116.597 7.414 1 U 5.23e+05 0 e 0 0 0 0 0 746 2.690 116.642 7.415 1 U 1.46e+06 0 e 0 0 0 0 0 747 2.276 116.661 7.415 1 U 1.39e+06 0 e 0 0 0 0 0 748 2.123 116.640 7.416 1 U 1.46e+06 0 e 0 0 0 0 0 749 1.668 116.674 7.416 1 U 5.95e+05 0 e 0 0 0 0 0 750 1.453 116.653 7.413 1 U 7.73e+05 0 e 0 0 0 0 0 751 1.090 116.626 7.414 1 U 5.52e+05 0 e 0 0 0 0 0 752 0.842 116.651 7.415 1 U 1.29e+06 0 e 0 0 0 0 0 753 0.503 116.666 7.416 1 U 4.36e+05 0 e 0 0 0 0 0 754 0.174 116.593 7.416 1 U 5.45e+05 0 e 0 0 0 0 0 755 -0.416 116.086 7.868 1 U 3.8e+06 0 e 0 0 0 0 0 756 0.163 116.077 7.868 1 U 3.86e+06 0 e 0 0 0 0 0 757 2.283 116.100 7.867 1 U 5.96e+05 0 e 0 0 0 0 0 758 2.069 116.132 7.866 1 U 8.88e+05 0 e 0 0 0 0 0 759 1.842 116.084 7.868 1 U 6.77e+06 0 e 0 0 0 0 0 760 1.655 116.081 7.868 1 U 1.58e+07 0 e 0 0 0 0 0 761 1.456 116.081 7.868 1 U 8.58e+06 0 e 0 0 0 0 0 762 1.072 116.083 7.868 1 U 4.18e+06 0 e 0 0 0 0 0 763 0.831 116.082 7.868 1 U 3.07e+06 0 e 0 0 0 0 0 764 0.590 116.085 7.868 1 U 2.26e+06 0 e 0 0 0 0 0 765 2.707 116.119 7.869 1 U 2.68e+05 0 e 0 0 0 0 0 766 3.440 116.088 7.868 1 U 2.12e+06 0 e 0 0 0 0 0 767 4.119 116.079 7.868 1 U 5.79e+06 0 e 0 0 0 0 0 768 3.873 116.095 7.868 1 U 8.04e+05 0 e 0 0 0 0 0 769 5.286 116.123 7.868 1 U 3.54e+05 0 e 0 0 0 0 0 770 7.432 116.079 7.867 1 U 7.29e+05 0 e 0 255 236 235 0 771 7.150 116.079 7.867 1 U 5.46e+06 0 e 0 222 236 235 0 772 8.457 116.075 7.870 1 U 3.79e+05 0 e 0 199 236 235 0 773 8.953 116.089 7.869 1 U 4.95e+06 0 e 0 247 236 235 0 774 6.908 116.062 8.728 1 U 7.4e+05 0 e 0 0 0 0 0 775 10.052 116.073 8.727 1 U 2.45e+06 0 e 0 0 0 0 0 776 9.617 115.985 7.781 1 U 5.56e+05 0 e 0 0 0 0 0 777 9.391 115.958 7.780 1 U 8.69e+05 0 e 0 0 0 0 0 778 5.319 116.068 8.727 1 U 5.96e+06 0 e 0 0 0 0 0 779 4.304 116.068 8.726 1 U 3.59e+06 0 e 0 0 0 0 0 780 3.866 116.074 8.726 1 U 5.86e+05 0 e 0 0 0 0 0 781 2.879 116.070 8.726 1 U 5.08e+06 0 e 0 0 0 0 0 782 2.433 116.060 8.726 1 U 2.86e+06 0 e 0 0 0 0 0 783 2.082 116.062 8.727 1 U 3.08e+06 0 e 0 0 0 0 0 784 1.866 116.074 8.726 1 U 7e+05 0 e 0 0 0 0 0 785 1.683 116.080 8.726 1 U 8.98e+05 0 e 0 0 0 0 0 786 1.330 116.066 8.726 1 U 5.27e+06 0 e 0 0 0 0 0 787 1.176 116.065 8.726 1 U 6.78e+06 0 e 0 0 0 0 0 788 0.823 116.086 8.726 1 U 1.57e+06 0 e 0 0 0 0 0 789 0.640 116.090 8.726 1 U 1.54e+06 0 e 0 0 0 0 0 790 -0.419 115.941 7.782 1 U 6.8e+05 0 e 0 0 0 0 0 791 0.819 115.960 7.780 1 U 1.28e+06 0 e 0 0 0 0 0 792 0.505 115.954 7.780 1 U 3.22e+06 0 e 0 0 0 0 0 793 2.161 115.964 7.781 1 U 1.76e+06 0 e 0 0 0 0 0 794 1.856 115.964 7.781 1 U 3.21e+06 0 e 0 0 0 0 0 795 1.713 115.959 7.781 1 U 4.84e+06 0 e 0 0 0 0 0 796 1.328 115.946 7.780 1 U 1.82e+06 0 e 0 0 0 0 0 797 3.088 115.946 7.781 1 U 5.32e+06 0 e 0 0 0 0 0 798 2.927 115.950 7.780 1 U 9.35e+06 0 e 0 0 0 0 0 799 4.376 115.940 7.781 1 U 2.89e+06 0 e 0 0 0 0 0 800 4.147 115.964 7.782 1 U 9.29e+05 0 e 0 0 0 0 0 801 6.474 115.952 7.780 1 U 3.55e+06 0 e 0 0 0 0 0 802 7.705 115.827 8.552 1 U 6.59e+06 0 e 0 550 541 540 0 803 7.294 115.811 8.551 1 U 7.14e+05 0 e 0 558 541 540 0 804 5.135 115.824 8.552 1 U 1.48e+06 0 e 0 0 0 0 0 805 3.992 115.814 8.552 1 U 1.06e+07 0 e 0 0 0 0 0 806 4.313 115.813 8.553 1 U 5.73e+06 0 e 0 0 0 0 0 807 3.095 115.803 8.551 1 U 7.9e+05 0 e 0 0 0 0 0 808 0.794 115.822 8.551 1 U 1.56e+06 0 e 0 0 0 0 0 809 0.430 115.800 8.554 1 U 1e+06 0 e 0 0 0 0 0 810 1.143 115.844 8.550 1 U 2.75e+05 0 e 0 0 0 0 0 811 2.573 115.812 8.553 1 U 6.23e+05 0 e 0 0 0 0 0 812 2.410 115.812 8.552 1 U 1.14e+06 0 e 0 0 0 0 0 813 2.046 115.817 8.552 1 U 5.88e+06 0 e 0 0 0 0 0 814 1.139 115.900 7.290 1 U 3.86e+06 0 e 0 0 0 0 0 815 0.790 115.900 7.290 1 U 4.08e+06 0 e 0 0 0 0 0 816 0.433 115.894 7.290 1 U 2.5e+06 0 e 0 0 0 0 0 817 3.542 115.901 7.290 1 U 6.94e+06 0 e 0 0 0 0 0 818 3.032 115.900 7.289 1 U 5.02e+05 0 e 0 0 0 0 0 819 2.407 115.898 7.290 1 U 1.27e+06 0 e 0 0 0 0 0 820 2.029 115.897 7.290 1 U 3.61e+06 0 e 0 0 0 0 0 821 4.329 115.900 7.290 1 U 2.79e+06 0 e 0 0 0 0 0 822 4.174 115.901 7.290 1 U 8.55e+06 0 e 0 0 0 0 0 823 3.985 115.902 7.291 1 U 3.29e+06 0 e 0 0 0 0 0 824 6.044 115.897 7.290 1 U 3.81e+06 0 e 0 0 0 0 0 825 7.544 115.945 7.782 1 U 3.94e+06 0 e 0 311 500 499 0 826 6.898 115.878 7.289 1 U 1.29e+06 0 e 0 0 0 0 0 827 7.706 115.897 7.290 1 U 7.75e+06 0 e 0 550 559 558 0 828 8.523 115.907 7.290 1 U 2.94e+06 0 e 0 565 559 558 0 829 1.722 115.164 6.895 1 U 4.24e+05 0 e 0 0 0 0 0 830 1.443 115.085 6.898 1 U 3.72e+05 0 e 0 0 0 0 0 831 1.166 115.131 6.898 1 U 1.29e+06 0 e 0 0 0 0 0 832 0.830 115.139 6.898 1 U 1.2e+06 0 e 0 0 0 0 0 833 0.440 115.139 6.898 1 U 9.74e+05 0 e 0 0 0 0 0 834 3.026 115.135 6.897 1 U 4.57e+06 0 e 0 0 0 0 0 835 2.662 115.138 6.898 1 U 7.74e+06 0 e 0 0 0 0 0 836 2.285 115.130 6.898 1 U 5.06e+05 0 e 0 0 0 0 0 837 2.105 115.145 6.898 1 U 4.81e+05 0 e 0 0 0 0 0 838 4.296 115.140 6.898 1 U 5.15e+06 0 e 0 0 0 0 0 839 4.088 115.146 6.897 1 U 2.76e+06 0 e 0 0 0 0 0 840 3.864 115.138 6.898 1 U 7.31e+05 0 e 0 0 0 0 0 841 3.592 115.143 6.898 1 U 2.4e+06 0 e 0 0 0 0 0 842 5.293 115.140 6.898 1 U 2.78e+06 0 e 0 0 0 0 0 843 1.391 114.675 8.094 1 U 5.34e+05 0 e 0 0 0 0 0 844 1.023 114.640 8.098 1 U 9.35e+06 0 e 0 0 0 0 0 845 0.845 114.647 8.099 1 U 1.78e+06 0 e 0 0 0 0 0 846 0.625 114.651 8.099 1 U 2.52e+06 0 e 0 0 0 0 0 847 2.948 114.645 8.098 1 U 5.74e+06 0 e 0 0 0 0 0 848 2.749 114.648 8.099 1 U 1.4e+06 0 e 0 0 0 0 0 849 4.365 114.647 8.099 1 U 1.53e+06 0 e 0 340 478 477 0 850 5.014 114.642 8.098 1 U 9.72e+06 0 e 0 464 478 477 0 851 6.143 114.636 8.097 1 U 2.61e+06 0 e 0 0 0 0 0 852 6.482 114.675 8.098 1 U 6.16e+05 0 e 0 0 0 0 0 853 7.327 114.644 8.098 1 U 2.93e+06 0 e 0 0 0 0 0 854 8.761 114.645 8.098 1 U 4.99e+05 0 e 0 0 0 0 0 855 9.471 114.625 8.099 1 U 1.91e+06 0 e 0 333 478 477 0 856 8.461 115.160 6.897 1 U 8.38e+05 0 e 0 0 0 0 0 857 8.952 115.166 6.896 1 U 6.34e+05 0 e 0 247 267 266 0 858 7.313 115.144 6.901 1 U 1.24e+07 0 e 0 271 267 266 0 859 2.959 114.264 7.829 1 U 3.94e+06 0 e 0 0 0 0 0 860 1.139 114.262 7.828 1 U 6.41e+05 0 e 0 0 0 0 0 861 0.821 114.254 7.828 1 U 2.85e+05 0 e 0 0 0 0 0 862 1.243 114.393 6.978 1 U 4e+05 0 e 0 0 0 0 0 863 0.824 114.278 6.979 1 U 3.09e+05 0 e 0 0 0 0 0 864 2.958 114.330 6.978 1 U 2.2e+06 0 e 0 0 0 0 0 865 1.582 114.094 8.646 1 U 8.3e+05 0 e 0 0 0 0 0 866 1.363 114.036 8.646 1 U 1.4e+06 0 e 0 0 0 0 0 867 0.824 114.066 8.646 1 U 1.61e+06 0 e 0 0 0 0 0 868 3.565 114.067 8.647 1 U 4.59e+06 0 e 0 0 0 0 0 869 3.942 114.063 8.647 1 U 2.59e+06 0 e 0 0 0 0 0 870 7.767 114.058 8.644 1 U 2.69e+05 0 e 0 0 0 0 0 871 4.155 113.694 7.579 1 U 1.54e+06 0 e 0 0 0 0 0 872 3.177 113.665 7.579 1 U 3.51e+06 0 e 0 0 0 0 0 873 2.838 113.700 7.579 1 U 5.72e+06 0 e 0 0 0 0 0 874 2.435 113.704 7.579 1 U 1.74e+06 0 e 0 0 0 0 0 875 1.928 113.697 7.579 1 U 2.58e+06 0 e 0 0 0 0 0 876 1.724 113.681 7.579 1 U 1.45e+06 0 e 0 0 0 0 0 877 1.351 113.645 7.579 1 U 1.1e+06 0 e 0 0 0 0 0 878 1.153 113.704 7.579 1 U 1.55e+06 0 e 0 0 0 0 0 879 0.750 113.686 7.579 1 U 2.65e+06 0 e 0 0 0 0 0 880 1.169 113.522 6.918 1 U 3.18e+06 0 e 0 0 0 0 0 881 0.850 113.524 6.918 1 U 1.34e+06 0 e 0 0 0 0 0 882 0.629 113.523 6.918 1 U 1.89e+06 0 e 0 0 0 0 0 883 0.367 113.531 6.918 1 U 1.97e+06 0 e 0 0 0 0 0 884 2.081 113.515 6.921 1 U 9.6e+05 0 e 0 0 0 0 0 885 2.432 113.482 6.917 1 U 3.26e+05 0 e 0 0 0 0 0 886 3.072 113.504 6.917 1 U 1.58e+06 0 e 0 0 0 0 0 887 2.877 113.514 6.918 1 U 1.78e+06 0 e 0 0 0 0 0 888 4.335 113.530 6.918 1 U 2.56e+06 0 e 0 0 0 0 0 889 3.873 113.525 6.918 1 U 2.34e+06 0 e 0 0 0 0 0 890 3.601 113.522 6.915 1 U 3.87e+05 0 e 0 0 0 0 0 891 5.652 113.523 6.918 1 U 3.36e+06 0 e 0 0 0 0 0 892 8.740 113.529 6.918 1 U 1.57e+06 0 e 0 0 0 0 0 893 10.053 113.525 6.917 1 U 4.41e+06 0 e 0 0 0 0 0 894 4.371 112.160 7.477 1 U 5.04e+05 0 e 0 0 0 0 0 895 3.009 112.184 7.479 1 U 2.48e+06 0 e 0 0 0 0 0 896 2.796 112.166 7.479 1 U 4.38e+06 0 e 0 0 0 0 0 897 0.764 112.211 7.473 1 U 3.34e+05 0 e 0 0 0 0 0 898 0.768 112.195 6.741 1 U 2.73e+05 0 e 0 0 0 0 0 899 3.006 112.188 6.740 1 U 1.45e+06 0 e 0 0 0 0 0 900 2.797 112.204 6.740 1 U 2.48e+06 0 e 0 0 0 0 0 901 4.376 112.188 6.741 1 U 3.45e+05 0 e 0 0 0 0 0 902 0.722 111.549 7.396 1 U 3.84e+05 0 e 0 0 0 0 0 903 3.256 111.515 7.399 1 U 3.49e+06 0 e 0 0 0 0 0 904 2.851 111.509 7.399 1 U 5.33e+06 0 e 0 0 0 0 0 905 2.615 111.550 7.400 1 U 1.51e+06 0 e 0 0 0 0 0 906 2.290 111.571 7.400 1 U 5e+05 0 e 0 0 0 0 0 907 2.168 111.686 7.397 1 U 4.5e+05 0 e 0 0 0 0 0 908 1.832 111.503 7.398 1 U 3.79e+05 0 e 0 0 0 0 0 909 5.953 111.564 7.393 1 U 3.03e+05 0 e 0 0 0 0 0 910 8.632 111.503 7.400 1 U 1.03e+06 0 e 0 0 0 0 0 911 8.241 111.518 7.399 1 U 3.19e+05 0 e 0 0 0 0 0 912 8.637 111.545 6.984 1 U 6.83e+05 0 e 0 0 0 0 0 913 8.254 111.536 6.983 1 U 3.58e+05 0 e 0 0 0 0 0 914 7.944 111.521 6.986 1 U 3.08e+05 0 e 0 0 0 0 0 915 0.696 111.652 6.983 1 U 2.6e+05 0 e 0 0 0 0 0 916 3.257 111.564 6.983 1 U 2.11e+06 0 e 0 0 0 0 0 917 2.850 111.573 6.983 1 U 3.37e+06 0 e 0 0 0 0 0 918 2.606 111.525 6.984 1 U 1.95e+06 0 e 0 0 0 0 0 919 2.345 111.552 6.983 1 U 6.53e+05 0 e 0 0 0 0 0 920 1.823 111.548 6.982 1 U 3.31e+05 0 e 0 0 0 0 0 921 3.618 111.413 7.528 1 U 4.12e+05 0 e 0 0 0 0 0 922 2.404 111.391 7.532 1 U 3.6e+06 0 e 0 0 0 0 0 923 2.145 111.405 7.532 1 U 2.26e+06 0 e 0 0 0 0 0 924 1.681 111.425 7.532 1 U 8.15e+05 0 e 0 0 0 0 0 925 1.395 111.411 7.532 1 U 6.73e+05 0 e 0 0 0 0 0 926 0.701 111.392 7.532 1 U 1.59e+06 0 e 0 0 0 0 0 927 2.408 111.419 6.853 1 U 1.84e+06 0 e 0 0 0 0 0 928 2.142 111.424 6.853 1 U 1.39e+06 0 e 0 0 0 0 0 929 1.681 111.415 6.853 1 U 7.54e+05 0 e 0 0 0 0 0 930 1.402 111.420 6.854 1 U 6.38e+05 0 e 0 0 0 0 0 931 0.701 111.388 6.853 1 U 1.19e+06 0 e 0 0 0 0 0 932 2.585 110.918 6.574 1 U 1.52e+06 0 e 0 0 0 0 0 933 2.346 110.929 6.573 1 U 2.6e+06 0 e 0 0 0 0 0 934 1.854 110.881 6.574 1 U 6.65e+05 0 e 0 0 0 0 0 935 0.680 110.876 6.574 1 U 1.48e+06 0 e 0 0 0 0 0 936 4.013 110.900 6.573 1 U 3.99e+05 0 e 0 0 0 0 0 937 2.183 110.506 7.107 1 U 5.37e+06 0 e 0 0 0 0 0 938 1.919 110.511 7.108 1 U 1.01e+06 0 e 0 0 0 0 0 939 1.025 110.537 7.106 1 U 1.23e+06 0 e 0 0 0 0 0 940 0.834 110.453 7.106 1 U 5.77e+05 0 e 0 0 0 0 0 941 2.183 110.519 6.627 1 U 3.37e+06 0 e 0 0 0 0 0 942 1.916 110.552 6.625 1 U 7.07e+05 0 e 0 0 0 0 0 943 1.027 110.529 6.626 1 U 1.22e+06 0 e 0 0 0 0 0 944 0.826 110.516 6.627 1 U 5.26e+05 0 e 0 0 0 0 0 945 4.234 110.122 7.453 1 U 4.21e+05 0 e 0 0 0 0 0 946 3.860 110.128 7.451 1 U 2.49e+06 0 e 0 0 0 0 0 947 2.909 110.140 7.453 1 U 7.16e+05 0 e 0 0 0 0 0 948 2.710 110.118 7.451 1 U 3.63e+06 0 e 0 0 0 0 0 949 2.552 110.120 7.452 1 U 3.35e+06 0 e 0 0 0 0 0 950 2.277 110.121 7.452 1 U 3.06e+06 0 e 0 0 0 0 0 951 2.126 110.125 7.451 1 U 2.51e+06 0 e 0 0 0 0 0 952 1.691 110.135 7.452 1 U 8.63e+05 0 e 0 0 0 0 0 953 1.193 110.142 7.452 1 U 9.23e+05 0 e 0 0 0 0 0 954 0.829 110.148 7.450 1 U 4.28e+05 0 e 0 0 0 0 0 955 2.898 110.116 6.922 1 U 1.22e+06 0 e 0 0 0 0 0 956 2.712 110.149 6.923 1 U 2.21e+06 0 e 0 0 0 0 0 957 2.552 110.153 6.923 1 U 1.95e+06 0 e 0 0 0 0 0 958 2.278 110.169 6.922 1 U 1.59e+06 0 e 0 0 0 0 0 959 2.119 110.164 6.922 1 U 1.46e+06 0 e 0 0 0 0 0 960 1.669 110.115 6.923 1 U 1.11e+06 0 e 0 0 0 0 0 961 1.198 110.134 6.921 1 U 1.01e+06 0 e 0 0 0 0 0 962 0.825 110.179 6.924 1 U 4.27e+05 0 e 0 0 0 0 0 963 3.857 110.159 6.922 1 U 1.52e+06 0 e 0 0 0 0 0 964 2.979 109.349 7.407 1 U 2.79e+06 0 e 0 0 0 0 0 965 2.743 109.362 7.406 1 U 1.94e+06 0 e 0 0 0 0 0 966 1.381 109.401 7.401 1 U 2.9e+05 0 e 0 0 0 0 0 967 0.885 109.409 7.406 1 U 1.13e+06 0 e 0 0 0 0 0 968 0.883 109.370 6.767 1 U 1.48e+06 0 e 0 0 0 0 0 969 2.980 109.383 6.767 1 U 1.6e+06 0 e 0 0 0 0 0 970 2.744 109.357 6.767 1 U 1.2e+06 0 e 0 0 0 0 0 971 3.727 109.464 6.762 1 U 2.66e+05 0 e 0 0 0 0 0 972 5.027 109.424 6.765 1 U 3.27e+05 0 e 0 0 0 0 0 973 5.023 109.278 7.405 1 U 5.4e+05 0 e 0 0 0 0 0 974 3.758 109.292 7.407 1 U 2.95e+05 0 e 0 0 0 0 0 975 5.294 110.151 6.922 1 U 3.29e+05 0 e 0 0 0 0 0 976 5.290 110.110 7.453 1 U 5.12e+05 0 e 0 0 0 0 0 977 8.960 116.002 7.125 1 U 4.88e+05 0 e 0 0 0 0 0 978 9.454 120.535 8.084 1 U 8.5e+05 0 e 0 0 0 0 0 979 3.972 110.046 8.327 1 U 6.16e+06 0 e 0 0 0 0 0 980 4.483 110.055 8.328 1 U 3.1e+06 0 e 0 0 0 0 0 981 2.571 110.062 8.332 1 U 3e+05 0 e 0 0 0 0 0 982 2.020 110.042 8.328 1 U 1.53e+06 0 e 0 0 0 0 0 983 1.353 109.994 8.330 1 U 3.63e+05 0 e 0 0 0 0 0 984 3.552 117.726 8.517 1 U 1.6e+06 0 e 0 0 0 0 0 985 4.330 117.712 8.516 1 U 5.32e+06 0 e 0 0 0 0 0 986 4.157 117.771 8.517 1 U 9.72e+06 0 e 0 0 0 0 0 987 4.912 120.249 8.084 1 U 3.38e+06 0 e 0 0 0 0 0 988 2.876 115.959 7.124 1 U 1.29e+06 0 e 0 0 0 0 0 989 2.432 115.956 7.124 1 U 2.68e+06 0 e 0 0 0 0 0 990 1.748 115.887 7.125 1 U 9.19e+05 0 e 0 0 0 0 0 991 1.347 115.910 7.124 1 U 4.2e+06 0 e 0 0 0 0 0 992 0.670 115.930 7.124 1 U 3.4e+06 0 e 0 0 0 0 0 993 0.371 115.914 7.124 1 U 8.82e+05 0 e 0 0 0 0 0 994 6.865 115.911 7.125 1 U 3.19e+06 0 e 0 0 0 0 0 995 8.146 115.980 7.124 1 U 1.69e+07 0 e 0 0 0 0 0 996 7.920 115.986 7.129 1 U 4.73e+05 0 e 0 0 0 0 0 997 7.586 115.887 7.127 1 U 3.47e+05 0 e 0 0 0 0 0 998 8.958 115.898 8.149 1 U 6.47e+05 0 e 0 0 0 0 0 999 7.582 115.918 8.149 1 U 3.43e+05 0 e 0 0 0 0 0 1000 5.316 115.918 8.146 1 U 5.82e+05 0 e 0 0 0 0 0 1001 4.156 115.984 8.147 1 U 2.29e+06 0 e 0 0 0 0 0 1002 3.868 116.042 8.150 1 U 3.2e+05 0 e 0 0 0 0 0 1003 3.628 115.969 8.149 1 U 2.48e+05 0 e 0 0 0 0 0 1004 3.294 115.958 8.147 1 U 2.92e+05 0 e 0 0 0 0 0 1005 1.751 115.960 8.146 1 U 7.4e+05 0 e 0 0 0 0 0 1006 1.344 115.911 8.147 1 U 3.4e+06 0 e 0 0 0 0 0 1007 1.155 115.934 8.149 1 U 8.83e+05 0 e 0 0 0 0 0 1008 0.663 115.896 8.147 1 U 3.94e+06 0 e 0 0 0 0 0 1009 0.374 115.964 8.146 1 U 4.9e+05 0 e 0 0 0 0 0 1010 0.677 110.938 7.477 1 U 9.45e+05 0 e 0 0 0 0 0 1011 1.848 110.930 7.477 1 U 7.36e+05 0 e 0 0 0 0 0 1012 2.347 110.896 7.477 1 U 3.29e+06 0 e 0 0 0 0 0 1013 4.030 110.885 7.476 1 U 4.65e+05 0 e 0 0 0 0 0 1014 7.149 116.634 7.743 1 U 5.01e+06 0 e 0 222 210 209 0 1015 8.449 116.636 7.742 1 U 4.37e+06 0 e 0 199 210 209 0 1016 6.864 115.931 8.147 1 U 2.13e+06 0 e 0 0 0 0 0 1017 7.775 124.424 8.441 1 U 6.46e+06 0 e 0 0 0 0 0 1018 4.096 116.459 8.252 1 U 9.88e+06 0 e 0 0 0 0 0 1019 3.352 116.459 8.252 1 U 6.51e+06 0 e 0 0 0 0 0 1020 3.141 116.470 8.254 1 U 1.17e+06 0 e 0 0 0 0 0 1021 1.384 116.441 8.252 1 U 8.1e+05 0 e 0 0 0 0 0 1022 1.181 116.499 8.254 1 U 8.9e+05 0 e 0 0 0 0 0 1023 0.995 116.459 8.252 1 U 2.04e+06 0 e 0 0 0 0 0 1024 0.818 116.455 8.253 1 U 9.32e+05 0 e 0 0 0 0 0 1025 2.567 116.446 8.251 1 U 1.98e+05 0 e 0 0 0 0 0 1026 2.066 116.454 8.252 1 U 2.04e+06 0 e 0 0 0 0 0 1027 7.914 116.469 8.252 1 U 3.43e+06 0 e 0 0 0 0 0 1028 1.007 129.621 10.862 1 U 1.5e+06 0 e 0 0 0 0 0 1029 2.042 129.645 10.863 1 U 7.12e+05 0 e 0 0 0 0 0 1030 5.578 129.612 10.858 1 U 3.97e+05 0 e 0 0 0 0 0 1031 7.760 129.650 10.870 1 U 3.38e+05 0 e 0 0 0 0 0 1032 2.085 116.735 8.633 1 U 1.32e+07 0 e 0 0 0 0 0 1033 3.044 114.645 8.100 1 U 3.89e+06 0 e 0 0 0 0 0 1034 2.539 117.712 8.516 1 U 4.89e+06 0 e 0 0 0 0 0 1035 8.511 124.032 8.142 1 U 5.23e+05 0 e 0 565 583 582 0 1036 0.430 120.565 7.843 1 U 9.04e+05 0 e 0 0 0 0 0 1037 0.800 120.576 7.843 1 U 1.05e+06 0 e 0 0 0 0 0 1038 1.164 120.583 7.844 1 U 2.22e+06 0 e 0 0 0 0 0 1039 1.444 120.543 7.845 1 U 7.61e+05 0 e 0 0 0 0 0 1040 2.024 120.556 7.841 1 U 5.22e+05 0 e 0 0 0 0 0 1041 1.718 120.579 7.844 1 U 6.37e+05 0 e 0 0 0 0 0 1042 2.416 120.585 7.843 1 U 3.73e+06 0 e 0 0 0 0 0 1043 3.271 120.575 7.843 1 U 1.06e+07 0 e 0 0 0 0 0 1044 3.990 120.570 7.843 1 U 1.86e+06 0 e 0 0 0 0 0 1045 3.537 120.570 7.845 1 U 6.43e+05 0 e 0 0 0 0 0 1046 4.350 120.573 7.843 1 U 6.63e+06 0 e 0 0 0 0 0 1047 7.300 120.574 7.844 1 U 1.41e+06 0 e 0 558 577 576 0 1048 8.518 120.572 7.843 1 U 4.15e+06 0 e 0 565 577 576 0 1049 8.132 120.580 7.845 1 U 9.15e+06 0 e 0 582 577 576 0 1050 0.634 125.497 8.502 1 U 5.45e+05 0 e 0 0 0 0 0 1051 2.827 124.410 8.441 1 U 2.9e+06 0 e 0 0 0 0 0 1052 2.625 124.411 8.441 1 U 2.66e+06 0 e 0 0 0 0 0 1053 1.641 124.409 8.440 1 U 1.19e+06 0 e 0 0 0 0 0 1054 8.474 106.948 7.975 1 U 2.07e+05 0 e 0 0 0 0 0 1055 0.206 106.983 7.317 1 U 1.91e+05 0 e 0 0 0 0 0 1056 8.690 117.179 8.478 1 U 1.62e+06 0 e 0 0 0 0 0 1057 8.115 116.606 7.743 1 U 5.56e+05 0 e 0 185 210 209 0 1058 7.871 116.639 7.415 1 U 7.19e+05 0 e 0 235 256 255 0 1059 6.151 115.966 7.780 1 U 3.85e+05 0 e 0 0 0 0 0 1060 8.974 116.028 7.782 1 U 3.27e+05 0 e 0 0 0 0 0 1061 8.910 115.817 8.557 1 U 3.45e+05 0 e 0 0 0 0 0 1062 -0.420 114.750 8.092 1 U 1.63e+05 0 e 0 0 0 0 0 1063 1.939 114.621 8.091 1 U 2.85e+05 0 e 0 0 0 0 0 1064 4.093 114.266 7.832 1 U 2.16e+05 0 e 0 0 0 0 0 1065 1.987 114.018 8.643 1 U 2.15e+05 0 e 0 0 0 0 0 1066 5.134 120.410 8.084 1 U 7.13e+05 0 e 0 0 0 0 0 1067 2.061 115.272 7.761 1 U 1.73e+06 0 e 0 0 0 0 0 1068 2.408 115.251 7.763 1 U 1.13e+06 0 e 0 0 0 0 0 1069 2.605 115.207 7.761 1 U 6.25e+06 0 e 0 0 0 0 0 1070 3.975 115.191 7.762 1 U 6.33e+05 0 e 0 0 0 0 0 1071 2.055 115.230 6.963 1 U 1.75e+06 0 e 0 0 0 0 0 1072 2.408 115.217 6.965 1 U 1.18e+06 0 e 0 0 0 0 0 1073 2.608 115.244 6.963 1 U 3.36e+06 0 e 0 0 0 0 0 1074 3.004 115.254 6.963 1 U 1.53e+06 0 e 0 0 0 0 0 1075 4.005 115.238 6.961 1 U 6.08e+05 0 e 0 0 0 0 0 1076 4.333 115.196 6.964 1 U 5.11e+05 0 e 0 0 0 0 0 1077 2.902 127.003 9.272 1 U 2.99e+05 0 e 0 0 0 0 0 1078 5.924 119.859 9.614 1 U 3.05e+05 0 e 0 0 0 0 0 1079 1.074 118.495 7.148 1 U 3.38e+05 0 e 0 0 0 0 0 1080 6.900 119.430 7.704 1 U 5.29e+05 0 e 0 0 0 0 0 1081 3.360 129.619 10.864 1 U 1.93e+05 0 e 0 0 0 0 0 1082 1.700 110.285 10.048 1 U 2.81e+05 0 e 0 0 0 0 0 1083 7.491 126.933 9.268 1 U 3.43e+05 0 e 0 0 0 0 0 1084 4.546 125.500 9.377 1 U 5.03e+06 0 e 0 0 0 0 0 1085 3.056 126.482 8.379 1 U 3.09e+05 0 e 0 0 0 0 0 1086 -0.062 113.044 9.296 1 U 2.14e+05 0 e 0 0 0 0 0 1087 -0.079 107.065 7.966 1 U 1.62e+05 0 e 0 0 0 0 0 1088 7.111 120.636 6.857 1 U 4.21e+06 0 e 0 0 0 0 0 1089 8.942 106.900 7.319 1 U 3.38e+05 0 e 0 247 272 271 0 1090 7.455 120.002 8.245 1 U 7.45e+05 0 e 0 0 0 0 0 1091 6.988 120.042 8.248 1 U 5.12e+05 0 e 0 0 0 0 0 1092 7.736 119.987 8.250 1 U 7.05e+05 0 e 0 209 175 174 0 1093 -0.401 120.619 8.124 1 U 3.16e+05 0 e 0 0 0 0 0 1094 0.369 120.648 8.125 1 U 4.2e+05 0 e 0 0 0 0 0 1095 4.311 120.638 8.124 1 U 5.37e+05 0 e 0 0 0 0 0 1096 7.752 118.560 7.149 1 U 4.04e+06 0 e 0 209 223 222 0 1097 6.934 116.027 7.867 1 U 4.94e+05 0 e 0 0 0 0 0 1098 6.829 116.034 7.866 1 U 4.15e+05 0 e 0 0 0 0 0 1099 7.405 116.616 7.746 1 U 9.46e+05 0 e 0 255 210 209 0 1100 6.699 115.146 6.902 1 U 2.34e+06 0 e 0 0 0 0 0 1101 7.242 118.231 7.465 1 U 1.98e+06 0 e 0 0 0 0 0 1102 8.567 116.481 8.257 1 U 9.64e+05 0 e 0 0 0 0 0 1103 8.243 124.580 8.466 1 U 1.32e+06 0 e 0 0 0 0 0 1104 8.483 129.587 8.713 1 U 1.3e+06 0 e 0 0 0 0 0 1105 5.404 120.219 8.896 1 U 2.08e+06 0 e 0 73 744 743 0 1106 4.299 117.357 8.412 1 U 1.16e+07 0 e 0 0 0 0 0 1107 8.418 120.779 8.027 1 U 4.63e+05 0 e 0 763 44 43 0 1108 7.464 113.577 6.920 1 U 5.56e+05 0 e 0 0 0 0 0 1109 -0.417 119.895 9.613 1 U 3.35e+05 0 e 0 0 0 0 0 1110 4.826 125.512 9.377 1 U 5.22e+05 0 e 0 0 0 0 0 1111 8.144 116.022 8.728 1 U 3.58e+05 0 e 0 0 0 0 0 1112 8.468 113.696 7.578 1 U 4.57e+06 0 e 0 0 0 0 0 1113 8.149 113.739 7.582 1 U 5.03e+05 0 e 0 0 0 0 0 1114 7.361 113.705 7.586 1 U 1.47e+06 0 e 0 0 0 0 0 1115 7.121 113.690 7.581 1 U 1.13e+06 0 e 0 0 0 0 0 1116 6.856 113.705 7.579 1 U 6.09e+06 0 e 0 0 0 0 0 1117 6.864 114.673 8.101 1 U 3.83e+05 0 e 0 0 0 0 0 1118 5.136 119.063 8.527 1 U 4.4e+05 0 e 0 0 0 0 0 1119 1.328 118.978 8.916 1 U 3.62e+05 0 e 0 0 0 0 0 1120 4.358 118.800 7.658 1 U 3.72e+06 0 e 0 0 0 0 0 1121 4.980 118.399 8.751 1 U 2.05e+06 0 e 0 80 467 466 0 1122 5.124 115.951 7.780 1 U 1.23e+07 0 e 0 484 500 499 0 1123 5.326 115.936 7.782 1 U 7.08e+05 0 e 0 0 0 0 0 1124 4.250 110.102 6.921 1 U 4.34e+05 0 e 0 0 0 0 0 1125 3.935 126.761 8.947 1 U 4.92e+05 0 e 0 0 0 0 0 1126 10.865 129.611 10.861 1 U 3.45e+06 0 e 0 0 0 0 0 1127 8.636 120.627 6.858 1 U 7.86e+05 0 e 0 0 0 0 0 1128 7.177 120.495 8.078 1 U 1.16e+06 0 e 0 0 0 0 0 1129 7.909 120.605 8.127 1 U 2.09e+06 0 e 0 0 0 0 0 1130 7.152 120.599 8.123 1 U 4.56e+05 0 e 0 222 186 185 0 1131 7.204 116.657 7.419 1 U 2.74e+06 0 e 0 0 0 0 0 1132 6.937 118.548 7.155 1 U 1.46e+06 0 e 0 0 0 0 0 1133 6.950 116.540 7.751 1 U 6.65e+05 0 e 0 0 0 0 0 1134 6.737 106.980 7.318 1 U 3.91e+06 0 e 0 0 0 0 0 1135 7.409 115.144 6.897 1 U 5.59e+06 0 e 0 255 267 266 0 1136 8.230 119.641 8.633 1 U 1.58e+06 0 e 0 0 0 0 0 1137 7.626 120.565 7.849 1 U 1.27e+06 0 e 0 0 0 0 0 1138 7.487 120.555 7.847 1 U 7.25e+05 0 e 0 601 577 576 0 1139 8.519 116.689 8.070 1 U 3.12e+05 0 e 0 565 596 595 0 1140 1.810 122.325 7.911 1 U 1.21e+06 0 e 0 0 0 0 0 1141 8.576 122.332 7.913 1 U 1.33e+06 0 e 0 714 642 641 0 1142 4.279 125.949 8.996 1 U 1.3e+07 0 e 0 35 57 56 0 1143 7.770 104.976 7.535 1 U 3.49e+06 0 e 0 499 312 311 0 1144 4.135 125.945 8.995 1 U 2.02e+06 0 e 0 0 0 0 0 1145 4.975 106.955 7.971 1 U 6.76e+05 0 e 0 80 88 87 0 1146 4.366 129.370 7.568 1 U 9.88e+06 0 e 0 340 356 355 0 1147 4.360 118.428 8.753 1 U 6.04e+05 0 e 0 0 0 0 0 1148 5.134 126.137 9.467 1 U 1.92e+06 0 e 0 484 334 333 0 1149 7.777 129.590 8.708 1 U 1.51e+06 0 e 0 688 666 665 0 1150 4.849 126.532 8.380 1 U 6.34e+05 0 e 0 0 0 0 0 1151 4.040 126.513 8.382 1 U 1.89e+07 0 e 0 0 0 0 0 1152 5.627 124.035 8.288 1 U 1.03e+06 0 e 0 0 0 0 0 1153 8.082 118.014 8.523 1 U 6.75e+06 0 e 0 0 0 0 0 1154 8.526 103.922 7.785 1 U 5.25e+05 0 e 0 0 0 0 0 1155 7.909 122.113 8.584 1 U 1.2e+06 0 e 0 641 715 714 0 1156 4.040 122.113 8.584 1 U 8.74e+05 0 e 0 0 0 0 0 1157 8.704 119.612 7.775 1 U 2.47e+06 0 e 0 665 689 688 0 1158 8.100 129.320 7.569 1 U 4.41e+05 0 e 0 0 0 0 0 1159 7.563 114.624 8.099 1 U 1.05e+06 0 e 0 0 0 0 0 1160 7.566 113.526 6.919 1 U 4.48e+05 0 e 0 355 461 459 0 1161 1.162 125.180 9.251 1 U 3.18e+05 0 e 0 0 0 0 0 1162 1.878 104.979 7.533 1 U 1.07e+06 0 e 0 0 0 0 0 1163 4.878 113.541 6.916 1 U 2.99e+05 0 e 0 360 461 459 0 1164 8.741 129.339 7.569 1 U 2.91e+05 0 e 0 0 0 0 0 1165 7.569 116.151 8.727 1 U 2.54e+05 0 e 0 0 0 0 0 1166 7.425 116.153 8.726 1 U 2.49e+05 0 e 0 0 0 0 0 1167 7.863 110.393 10.043 1 U 2.49e+05 0 e 0 0 0 0 0 1168 5.651 110.365 10.050 1 U 2.9e+05 0 e 0 0 0 0 0 1169 6.320 106.946 7.974 1 U 2.32e+05 0 e 0 0 0 0 0 1170 0.415 126.207 9.470 1 U 3.55e+05 0 e 0 0 0 0 0 1171 4.217 125.180 9.250 1 U 1.1e+06 0 e 0 0 0 0 0 1172 5.320 121.199 8.724 1 U 3.29e+06 0 e 0 0 0 0 0 1173 4.107 129.597 10.863 1 U 4.75e+05 0 e 0 0 0 0 0 1174 4.597 122.055 8.584 1 U 3.93e+05 0 e 0 0 0 0 0 1175 3.573 122.150 8.582 1 U 3.03e+05 0 e 0 0 0 0 0 1176 4.637 129.571 8.709 1 U 8.71e+06 0 e 0 0 0 0 0 1177 5.410 129.559 8.708 1 U 7.55e+05 0 e 0 0 0 0 0 1178 4.308 126.725 8.948 1 U 1.39e+06 0 e 0 750 68 67 0 1179 4.040 119.000 8.912 1 U 1.28e+06 0 e 0 0 0 0 0 1180 9.298 120.200 8.898 1 U 4.23e+05 0 e 0 0 0 0 0 1181 8.519 120.242 8.900 1 U 3.64e+05 0 e 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 HN . . 13.0189 ppm . . . 4.697 . . 34555 1 2 . . N 15 N . . 28 ppm . . . 117 . . 34555 1 3 . . H 1 H . . 16 ppm . . . 4.697 . . 34555 1 stop_ save_