data_50014 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50014 _Entry.Title ; ctSpp2(208-254) backbone assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-09-12 _Entry.Accession_date 2019-09-12 _Entry.Last_release_date 2019-09-12 _Entry.Original_release_date 2019-09-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.31 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Filippo Favretto . . . . 50014 2 Markus Zweckstetter . . . . 50014 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Max Planck Institute for Biophysical Chemistry (MPI-BPC)' . 50014 2 . 'German Center for Neurodegenerative Diseases (DZNE)' . 50014 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50014 spectral_peak_list 5 50014 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 130 50014 '15N chemical shifts' 45 50014 '1H chemical shifts' 45 50014 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 . . 2020-09-21 . original BMRB . 50014 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50014 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31974312 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural analysis of the intrinsically disordered splicing factor Spp2 and its binding to the DEAH-box ATPase Prp2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 117 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2948 _Citation.Page_last 2956 _Citation.Year 2020 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Florian Hamann . . . . 50014 1 2 Andreas Schmitt . . . . 50014 1 3 Filippo Favretto . . . . 50014 1 4 Romina Hofele . . . . 50014 1 5 Piotr Neumann . . . . 50014 1 6 ShengQi Xiang . . . . 50014 1 7 Henning Urlaub . . . . 50014 1 8 Markus Zweckstetter . . . . 50014 1 9 Ralf Ficner . . . . 50014 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50014 _Assembly.ID 1 _Assembly.Name MS1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 5226.9257 _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 'Molecule 1' 1 $entity_1 . . yes native no no . . . 50014 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; The G-patch region of Spp2 binds to the DEAH-box ATPase Prp2, and both proteins together are essential for promoting the transition from the Bact to the catalytically active B* spliceosome. ; 50014 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50014 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Molecule 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 ; GPMVDDFGENLLRSFGWDGK MRGKVKEVKRYANLAGLGAR NVKEAED ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 47 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5226.9257 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; The G-patch region of Spp2 binds to the DEAH-box ATPase Prp2, and both proteins together are essential for promoting the transition from the Bact to the catalytically active B* spliceosome ; 50014 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 208 GLY . 50014 1 2 209 PRO . 50014 1 3 210 MET . 50014 1 4 211 VAL . 50014 1 5 212 ASP . 50014 1 6 213 ASP . 50014 1 7 214 PHE . 50014 1 8 215 GLY . 50014 1 9 216 GLU . 50014 1 10 217 ASN . 50014 1 11 218 LEU . 50014 1 12 219 LEU . 50014 1 13 220 ARG . 50014 1 14 221 SER . 50014 1 15 222 PHE . 50014 1 16 223 GLY . 50014 1 17 224 TRP . 50014 1 18 225 ASP . 50014 1 19 226 GLY . 50014 1 20 227 LYS . 50014 1 21 228 MET . 50014 1 22 229 ARG . 50014 1 23 230 GLY . 50014 1 24 231 LYS . 50014 1 25 232 VAL . 50014 1 26 233 LYS . 50014 1 27 234 GLU . 50014 1 28 235 VAL . 50014 1 29 236 LYS . 50014 1 30 237 ARG . 50014 1 31 238 TYR . 50014 1 32 239 ALA . 50014 1 33 240 ASN . 50014 1 34 241 LEU . 50014 1 35 242 ALA . 50014 1 36 243 GLY . 50014 1 37 244 LEU . 50014 1 38 245 GLY . 50014 1 39 246 ALA . 50014 1 40 247 ARG . 50014 1 41 248 ASN . 50014 1 42 249 VAL . 50014 1 43 250 LYS . 50014 1 44 251 GLU . 50014 1 45 252 ALA . 50014 1 46 253 GLU . 50014 1 47 254 ASP . 50014 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 50014 1 . PRO 2 2 50014 1 . MET 3 3 50014 1 . VAL 4 4 50014 1 . ASP 5 5 50014 1 . ASP 6 6 50014 1 . PHE 7 7 50014 1 . GLY 8 8 50014 1 . GLU 9 9 50014 1 . ASN 10 10 50014 1 . LEU 11 11 50014 1 . LEU 12 12 50014 1 . ARG 13 13 50014 1 . SER 14 14 50014 1 . PHE 15 15 50014 1 . GLY 16 16 50014 1 . TRP 17 17 50014 1 . ASP 18 18 50014 1 . GLY 19 19 50014 1 . LYS 20 20 50014 1 . MET 21 21 50014 1 . ARG 22 22 50014 1 . GLY 23 23 50014 1 . LYS 24 24 50014 1 . VAL 25 25 50014 1 . LYS 26 26 50014 1 . GLU 27 27 50014 1 . VAL 28 28 50014 1 . LYS 29 29 50014 1 . ARG 30 30 50014 1 . TYR 31 31 50014 1 . ALA 32 32 50014 1 . ASN 33 33 50014 1 . LEU 34 34 50014 1 . ALA 35 35 50014 1 . GLY 36 36 50014 1 . LEU 37 37 50014 1 . GLY 38 38 50014 1 . ALA 39 39 50014 1 . ARG 40 40 50014 1 . ASN 41 41 50014 1 . VAL 42 42 50014 1 . LYS 43 43 50014 1 . GLU 44 44 50014 1 . ALA 45 45 50014 1 . GLU 46 46 50014 1 . ASP 47 47 50014 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50014 _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 . 209285 organism . 'Chaetomium thermophilum' . . . Eukaryota Fungi Chaetomium thermophilum . . . . . . . . . . . . . 50014 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50014 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . . . 'BL21 (DE3)' . . plasmid . . 'pASG-IBA 25' . . . 50014 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50014 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'ctSpp2(208-254) was used at a concentration of 0.52mM' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ctSpp2 '[15N 13C]' . . . . . . 0.52 . . mM . . . . 50014 1 2 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 50014 1 3 EDTA 'natural abundance' . . . . . . 5 . . mM . . . . 50014 1 4 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 50014 1 5 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 50014 1 6 glycerol 'natural abundance' . . . . . . 0.5 . . '% w/v' . . . . 50014 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 50014 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 50014 _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' 0.2 . M 50014 1 pH 6.5 . pH 50014 1 pressure 1 . atm 50014 1 temperature 298 . K 50014 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50014 _Software.ID 1 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.2 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 50014 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignments' 50014 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50014 _Software.ID 2 _Software.Type . _Software.Name DANGLE _Software.Version 1.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'University of Cambridge' . . 50014 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50014 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50014 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50014 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50014 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50014 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50014 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50014 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50014 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50014 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 50014 _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 0.00 na indirect 0.251449530 . . . . . 50014 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50014 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50014 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 50014 _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/HMQC' . . . 50014 1 2 '3D HNCA' . . . 50014 1 3 '3D CBCA(CO)NH' . . . 50014 1 4 '3D HNCACB' . . . 50014 1 6 '3D HNCO' . . . 50014 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO C C 13 176.649 0.05 . 1 . . 225 . . 209 PRO C . 50014 1 2 . 1 . 1 2 2 PRO CA C 13 63.006 0.027 . 1 . . 92 . . 209 PRO CA . 50014 1 3 . 1 . 1 2 2 PRO CB C 13 32.356 0.059 . 1 . . 94 . . 209 PRO CB . 50014 1 4 . 1 . 1 3 3 MET H H 1 8.501 0.001 . 1 . . 90 . . 210 MET H . 50014 1 5 . 1 . 1 3 3 MET C C 13 176.077 0.05 . 1 . . 227 . . 210 MET C . 50014 1 6 . 1 . 1 3 3 MET CA C 13 55.601 0.008 . 1 . . 104 . . 210 MET CA . 50014 1 7 . 1 . 1 3 3 MET CB C 13 32.890 0.026 . 1 . . 105 . . 210 MET CB . 50014 1 8 . 1 . 1 3 3 MET N N 15 120.961 0.013 . 1 . . 91 . . 210 MET N . 50014 1 9 . 1 . 1 4 4 VAL H H 1 8.071 0.001 . 1 . . 101 . . 211 VAL H . 50014 1 10 . 1 . 1 4 4 VAL C C 13 175.545 0.05 . 1 . . 209 . . 211 VAL C . 50014 1 11 . 1 . 1 4 4 VAL CA C 13 62.004 0.027 . 1 . . 103 . . 211 VAL CA . 50014 1 12 . 1 . 1 4 4 VAL CB C 13 33.050 0.052 . 1 . . 17 . . 211 VAL CB . 50014 1 13 . 1 . 1 4 4 VAL N N 15 120.830 0.009 . 1 . . 102 . . 211 VAL N . 50014 1 14 . 1 . 1 5 5 ASP H H 1 8.258 0.001 . 1 . . 15 . . 212 ASP H . 50014 1 15 . 1 . 1 5 5 ASP C C 13 175.683 0.05 . 1 . . 230 . . 212 ASP C . 50014 1 16 . 1 . 1 5 5 ASP CA C 13 54.110 0.028 . 1 . . 18 . . 212 ASP CA . 50014 1 17 . 1 . 1 5 5 ASP CB C 13 41.357 0.034 . 1 . . 115 . . 212 ASP CB . 50014 1 18 . 1 . 1 5 5 ASP N N 15 123.618 0.008 . 1 . . 16 . . 212 ASP N . 50014 1 19 . 1 . 1 6 6 ASP H H 1 8.095 0.001 . 1 . . 113 . . 213 ASP H . 50014 1 20 . 1 . 1 6 6 ASP C C 13 176.173 0.05 . 1 . . 231 . . 213 ASP C . 50014 1 21 . 1 . 1 6 6 ASP CA C 13 54.354 0.023 . 1 . . 116 . . 213 ASP CA . 50014 1 22 . 1 . 1 6 6 ASP CB C 13 41.142 0.018 . 1 . . 130 . . 213 ASP CB . 50014 1 23 . 1 . 1 6 6 ASP N N 15 120.507 0.013 . 1 . . 114 . . 213 ASP N . 50014 1 24 . 1 . 1 7 7 PHE H H 1 8.217 0.013 . 1 . . 127 . . 214 PHE H . 50014 1 25 . 1 . 1 7 7 PHE C C 13 176.567 0.05 . 1 . . 244 . . 214 PHE C . 50014 1 26 . 1 . 1 7 7 PHE CA C 13 58.171 0.017 . 1 . . 129 . . 214 PHE CA . 50014 1 27 . 1 . 1 7 7 PHE CB C 13 39.150 0.015 . 1 . . 176 . . 214 PHE CB . 50014 1 28 . 1 . 1 7 7 PHE N N 15 120.370 0.009 . 1 . . 128 . . 214 PHE N . 50014 1 29 . 1 . 1 8 8 GLY H H 1 8.258 0.002 . 1 . . 169 . . 215 GLY H . 50014 1 30 . 1 . 1 8 8 GLY C C 13 174.563 0.05 . 1 . . 224 . . 215 GLY C . 50014 1 31 . 1 . 1 8 8 GLY CA C 13 45.698 0.011 . 1 . . 175 . . 215 GLY CA . 50014 1 32 . 1 . 1 8 8 GLY N N 15 109.398 0.036 . 1 . . 170 . . 215 GLY N . 50014 1 33 . 1 . 1 9 9 GLU H H 1 8.280 0.001 . 1 . . 83 . . 216 GLU H . 50014 1 34 . 1 . 1 9 9 GLU C C 13 176.715 0.05 . 1 . . 238 . . 216 GLU C . 50014 1 35 . 1 . 1 9 9 GLU CA C 13 57.261 0.02 . 1 . . 189 . . 216 GLU CA . 50014 1 36 . 1 . 1 9 9 GLU CB C 13 30.068 0.013 . 1 . . 150 . . 216 GLU CB . 50014 1 37 . 1 . 1 9 9 GLU N N 15 120.967 0.013 . 1 . . 84 . . 216 GLU N . 50014 1 38 . 1 . 1 10 10 ASN H H 1 8.406 0.002 . 1 . . 147 . . 217 ASN H . 50014 1 39 . 1 . 1 10 10 ASN C C 13 175.745 0.05 . 1 . . 218 . . 217 ASN C . 50014 1 40 . 1 . 1 10 10 ASN CA C 13 53.974 0.024 . 1 . . 149 . . 217 ASN CA . 50014 1 41 . 1 . 1 10 10 ASN CB C 13 38.437 0.016 . 1 . . 49 . . 217 ASN CB . 50014 1 42 . 1 . 1 10 10 ASN N N 15 118.684 0.011 . 1 . . 148 . . 217 ASN N . 50014 1 43 . 1 . 1 11 11 LEU H H 1 8.018 0.001 . 1 . . 47 . . 218 LEU H . 50014 1 44 . 1 . 1 11 11 LEU C C 13 177.667 0.05 . 1 . . 228 . . 218 LEU C . 50014 1 45 . 1 . 1 11 11 LEU CA C 13 56.030 0.037 . 1 . . 50 . . 218 LEU CA . 50014 1 46 . 1 . 1 11 11 LEU CB C 13 42.092 0.021 . 1 . . 100 . . 218 LEU CB . 50014 1 47 . 1 . 1 11 11 LEU N N 15 122.103 0.009 . 1 . . 48 . . 218 LEU N . 50014 1 48 . 1 . 1 12 12 LEU H H 1 7.957 0.001 . 1 . . 97 . . 219 LEU H . 50014 1 49 . 1 . 1 12 12 LEU C C 13 177.700 0.05 . 1 . . 234 . . 219 LEU C . 50014 1 50 . 1 . 1 12 12 LEU CA C 13 55.792 0.043 . 1 . . 99 . . 219 LEU CA . 50014 1 51 . 1 . 1 12 12 LEU CB C 13 41.852 0.031 . 1 . . 123 . . 219 LEU CB . 50014 1 52 . 1 . 1 12 12 LEU N N 15 120.881 0.006 . 1 . . 98 . . 219 LEU N . 50014 1 53 . 1 . 1 13 13 ARG H H 1 7.957 0.001 . 1 . . 120 . . 220 ARG H . 50014 1 54 . 1 . 1 13 13 ARG C C 13 176.463 0.05 . 1 . . 240 . . 220 ARG C . 50014 1 55 . 1 . 1 13 13 ARG CA C 13 56.378 0.022 . 1 . . 122 . . 220 ARG CA . 50014 1 56 . 1 . 1 13 13 ARG CB C 13 30.525 0.024 . 1 . . 158 . . 220 ARG CB . 50014 1 57 . 1 . 1 13 13 ARG N N 15 120.261 0.016 . 1 . . 121 . . 220 ARG N . 50014 1 58 . 1 . 1 14 14 SER H H 1 8.000 0.001 . 1 . . 155 . . 221 SER H . 50014 1 59 . 1 . 1 14 14 SER C C 13 174.214 0.05 . 1 . . 221 . . 221 SER C . 50014 1 60 . 1 . 1 14 14 SER CA C 13 58.572 0.009 . 1 . . 157 . . 221 SER CA . 50014 1 61 . 1 . 1 14 14 SER CB C 13 63.739 0.016 . 1 . . 82 . . 221 SER CB . 50014 1 62 . 1 . 1 14 14 SER N N 15 115.895 0.007 . 1 . . 156 . . 221 SER N . 50014 1 63 . 1 . 1 15 15 PHE H H 1 8.074 0.001 . 1 . . 80 . . 222 PHE H . 50014 1 64 . 1 . 1 15 15 PHE C C 13 176.262 0.05 . 1 . . 241 . . 222 PHE C . 50014 1 65 . 1 . 1 15 15 PHE CA C 13 58.084 0.044 . 1 . . 180 . . 222 PHE CA . 50014 1 66 . 1 . 1 15 15 PHE CB C 13 39.491 0.003 . 1 . . 191 . . 222 PHE CB . 50014 1 67 . 1 . 1 15 15 PHE N N 15 121.340 0.011 . 1 . . 81 . . 222 PHE N . 50014 1 68 . 1 . 1 16 16 GLY H H 1 8.219 0.001 . 1 . . 173 . . 223 GLY H . 50014 1 69 . 1 . 1 16 16 GLY C C 13 174.224 0.05 . 1 . . 220 . . 223 GLY C . 50014 1 70 . 1 . 1 16 16 GLY CA C 13 45.323 0.032 . 1 . . 75 . . 223 GLY CA . 50014 1 71 . 1 . 1 16 16 GLY N N 15 109.875 0.008 . 1 . . 174 . . 223 GLY N . 50014 1 72 . 1 . 1 17 17 TRP H H 1 7.993 0.002 . 1 . . 72 . . 224 TRP H . 50014 1 73 . 1 . 1 17 17 TRP C C 13 176.016 0.05 . 1 . . 217 . . 224 TRP C . 50014 1 74 . 1 . 1 17 17 TRP CA C 13 57.710 0.035 . 1 . . 74 . . 224 TRP CA . 50014 1 75 . 1 . 1 17 17 TRP CB C 13 29.385 0.027 . 1 . . 46 . . 224 TRP CB . 50014 1 76 . 1 . 1 17 17 TRP N N 15 121.227 0.007 . 1 . . 73 . . 224 TRP N . 50014 1 77 . 1 . 1 18 18 ASP H H 1 8.065 0.001 . 1 . . 43 . . 225 ASP H . 50014 1 78 . 1 . 1 18 18 ASP C C 13 176.631 0.05 . 1 . . 247 . . 225 ASP C . 50014 1 79 . 1 . 1 18 18 ASP CA C 13 53.881 0.027 . 1 . . 161 . . 225 ASP CA . 50014 1 80 . 1 . 1 18 18 ASP CB C 13 40.766 0.011 . 1 . . 162 . . 225 ASP CB . 50014 1 81 . 1 . 1 18 18 ASP N N 15 122.255 0.005 . 1 . . 44 . . 225 ASP N . 50014 1 82 . 1 . 1 19 19 GLY H H 1 7.395 0.002 . 1 . . 159 . . 226 GLY H . 50014 1 83 . 1 . 1 19 19 GLY C C 13 174.423 0.05 . 1 . . 236 . . 226 GLY C . 50014 1 84 . 1 . 1 19 19 GLY CA C 13 45.677 0.008 . 1 . . 119 . . 226 GLY CA . 50014 1 85 . 1 . 1 19 19 GLY N N 15 108.106 0.01 . 1 . . 160 . . 226 GLY N . 50014 1 86 . 1 . 1 20 20 LYS H H 1 7.907 0.001 . 1 . . 117 . . 227 LYS H . 50014 1 87 . 1 . 1 20 20 LYS C C 13 176.841 0.05 . 1 . . 232 . . 227 LYS C . 50014 1 88 . 1 . 1 20 20 LYS CA C 13 56.618 0.01 . 1 . . 133 . . 227 LYS CA . 50014 1 89 . 1 . 1 20 20 LYS CB C 13 32.778 0.022 . 1 . . 134 . . 227 LYS CB . 50014 1 90 . 1 . 1 20 20 LYS N N 15 120.193 0.007 . 1 . . 118 . . 227 LYS N . 50014 1 91 . 1 . 1 21 21 MET H H 1 8.279 0.001 . 1 . . 131 . . 228 MET H . 50014 1 92 . 1 . 1 21 21 MET C C 13 176.254 0.05 . 1 . . 215 . . 228 MET C . 50014 1 93 . 1 . 1 21 21 MET CA C 13 55.566 0.019 . 1 . . 60 . . 228 MET CA . 50014 1 94 . 1 . 1 21 21 MET CB C 13 32.583 0.086 . 1 . . 59 . . 228 MET CB . 50014 1 95 . 1 . 1 21 21 MET N N 15 120.322 0.009 . 1 . . 132 . . 228 MET N . 50014 1 96 . 1 . 1 22 22 ARG H H 1 8.202 0.002 . 1 . . 57 . . 229 ARG H . 50014 1 97 . 1 . 1 22 22 ARG C C 13 176.671 0.05 . 1 . . 243 . . 229 ARG C . 50014 1 98 . 1 . 1 22 22 ARG CA C 13 56.410 0.051 . 1 . . 188 . . 229 ARG CA . 50014 1 99 . 1 . 1 22 22 ARG CB C 13 30.655 0.027 . 1 . . 187 . . 229 ARG CB . 50014 1 100 . 1 . 1 22 22 ARG N N 15 122.103 0.015 . 1 . . 58 . . 229 ARG N . 50014 1 101 . 1 . 1 23 23 GLY H H 1 8.286 0.002 . 1 . . 181 . . 230 GLY H . 50014 1 102 . 1 . 1 23 23 GLY C C 13 173.823 0.05 . 1 . . 226 . . 230 GLY C . 50014 1 103 . 1 . 1 23 23 GLY CA C 13 45.199 0.028 . 1 . . 108 . . 230 GLY CA . 50014 1 104 . 1 . 1 23 23 GLY N N 15 109.684 0.018 . 1 . . 182 . . 230 GLY N . 50014 1 105 . 1 . 1 24 24 LYS H H 1 8.088 0.001 . 1 . . 106 . . 231 LYS H . 50014 1 106 . 1 . 1 24 24 LYS C C 13 176.635 0.05 . 1 . . 222 . . 231 LYS C . 50014 1 107 . 1 . 1 24 24 LYS CA C 13 56.235 0.032 . 1 . . 78 . . 231 LYS CA . 50014 1 108 . 1 . 1 24 24 LYS CB C 13 33.126 0.03 . 1 . . 79 . . 231 LYS CB . 50014 1 109 . 1 . 1 24 24 LYS N N 15 120.836 0.006 . 1 . . 107 . . 231 LYS N . 50014 1 110 . 1 . 1 25 25 VAL H H 1 8.047 0.001 . 1 . . 76 . . 232 VAL H . 50014 1 111 . 1 . 1 25 25 VAL C C 13 176.071 0.05 . 1 . . 263 . . 232 VAL C . 50014 1 112 . 1 . 1 25 25 VAL CA C 13 62.470 0.02 . 1 . . 251 . . 232 VAL CA . 50014 1 113 . 1 . 1 25 25 VAL CB C 13 32.778 0.05 . 1 . . 4 . . 232 VAL CB . 50014 1 114 . 1 . 1 25 25 VAL N N 15 121.289 0.007 . 1 . . 77 . . 232 VAL N . 50014 1 115 . 1 . 1 26 26 LYS H H 1 8.302 0.001 . 1 . . 254 . . 233 LYS H . 50014 1 116 . 1 . 1 26 26 LYS C C 13 176.268 0.05 . 1 . . 259 . . 233 LYS C . 50014 1 117 . 1 . 1 26 26 LYS CA C 13 56.453 0.023 . 1 . . 261 . . 233 LYS CA . 50014 1 118 . 1 . 1 26 26 LYS CB C 13 32.962 0.003 . 1 . . 262 . . 233 LYS CB . 50014 1 119 . 1 . 1 26 26 LYS N N 15 125.167 0.062 . 1 . . 255 . . 233 LYS N . 50014 1 120 . 1 . 1 27 27 GLU H H 1 8.287 0.001 . 1 . . 27 . . 234 GLU H . 50014 1 121 . 1 . 1 27 27 GLU C C 13 176.181 0.05 . 1 . . 216 . . 234 GLU C . 50014 1 122 . 1 . 1 27 27 GLU CA C 13 56.397 0.048 . 1 . . 30 . . 234 GLU CA . 50014 1 123 . 1 . 1 27 27 GLU CB C 13 30.407 0.004 . 1 . . 38 . . 234 GLU CB . 50014 1 124 . 1 . 1 27 27 GLU N N 15 122.823 0.013 . 1 . . 28 . . 234 GLU N . 50014 1 125 . 1 . 1 28 28 VAL H H 1 8.165 0.001 . 1 . . 35 . . 235 VAL H . 50014 1 126 . 1 . 1 28 28 VAL C C 13 176.014 0.05 . 1 . . 264 . . 235 VAL C . 50014 1 127 . 1 . 1 28 28 VAL CA C 13 62.513 0.006 . 1 . . 37 . . 235 VAL CA . 50014 1 128 . 1 . 1 28 28 VAL CB C 13 32.663 0.05 . 1 . . 203 . . 235 VAL CB . 50014 1 129 . 1 . 1 28 28 VAL N N 15 122.335 0.014 . 1 . . 36 . . 235 VAL N . 50014 1 130 . 1 . 1 29 29 LYS H H 1 8.302 0.0 . 1 . . 252 . . 236 LYS H . 50014 1 131 . 1 . 1 29 29 LYS CA C 13 56.393 0.037 . 1 . . 3 . . 236 LYS CA . 50014 1 132 . 1 . 1 29 29 LYS CB C 13 32.820 0.018 . 1 . . 53 . . 236 LYS CB . 50014 1 133 . 1 . 1 29 29 LYS N N 15 125.113 0.015 . 1 . . 253 . . 236 LYS N . 50014 1 134 . 1 . 1 30 30 ARG H H 1 8.162 0.002 . 1 . . 51 . . 237 ARG H . 50014 1 135 . 1 . 1 30 30 ARG C C 13 175.915 0.05 . 1 . . 229 . . 237 ARG C . 50014 1 136 . 1 . 1 30 30 ARG CA C 13 56.190 0.077 . 1 . . 56 . . 237 ARG CA . 50014 1 137 . 1 . 1 30 30 ARG CB C 13 30.854 0.021 . 1 . . 112 . . 237 ARG CB . 50014 1 138 . 1 . 1 30 30 ARG N N 15 122.193 0.036 . 1 . . 52 . . 237 ARG N . 50014 1 139 . 1 . 1 31 31 TYR H H 1 8.121 0.003 . 1 . . 109 . . 238 TYR H . 50014 1 140 . 1 . 1 31 31 TYR C C 13 175.611 0.05 . 1 . . 206 . . 238 TYR C . 50014 1 141 . 1 . 1 31 31 TYR CA C 13 57.720 0.033 . 1 . . 111 . . 238 TYR CA . 50014 1 142 . 1 . 1 31 31 TYR CB C 13 38.695 0.009 . 1 . . 7 . . 238 TYR CB . 50014 1 143 . 1 . 1 31 31 TYR N N 15 120.635 0.017 . 1 . . 110 . . 238 TYR N . 50014 1 144 . 1 . 1 32 32 ALA H H 1 8.142 0.001 . 1 . . 5 . . 239 ALA H . 50014 1 145 . 1 . 1 32 32 ALA C C 13 177.216 0.05 . 1 . . 239 . . 239 ALA C . 50014 1 146 . 1 . 1 32 32 ALA CA C 13 52.719 0.025 . 1 . . 8 . . 239 ALA CA . 50014 1 147 . 1 . 1 32 32 ALA CB C 13 19.316 0.015 . 1 . . 154 . . 239 ALA CB . 50014 1 148 . 1 . 1 32 32 ALA N N 15 124.793 0.005 . 1 . . 6 . . 239 ALA N . 50014 1 149 . 1 . 1 33 33 ASN H H 1 8.255 0.001 . 1 . . 151 . . 240 ASN H . 50014 1 150 . 1 . 1 33 33 ASN C C 13 175.367 0.05 . 1 . . 213 . . 240 ASN C . 50014 1 151 . 1 . 1 33 33 ASN CA C 13 53.267 0.047 . 1 . . 153 . . 240 ASN CA . 50014 1 152 . 1 . 1 33 33 ASN CB C 13 38.521 0.015 . 1 . . 42 . . 240 ASN CB . 50014 1 153 . 1 . 1 33 33 ASN N N 15 117.196 0.009 . 1 . . 152 . . 240 ASN N . 50014 1 154 . 1 . 1 34 34 LEU H H 1 8.095 0.001 . 1 . . 39 . . 241 LEU H . 50014 1 155 . 1 . 1 34 34 LEU C C 13 177.349 0.05 . 1 . . 210 . . 241 LEU C . 50014 1 156 . 1 . 1 34 34 LEU CA C 13 55.458 0.023 . 1 . . 41 . . 241 LEU CA . 50014 1 157 . 1 . 1 34 34 LEU CB C 13 42.090 0.005 . 1 . . 23 . . 241 LEU CB . 50014 1 158 . 1 . 1 34 34 LEU N N 15 122.477 0.008 . 1 . . 40 . . 241 LEU N . 50014 1 159 . 1 . 1 35 35 ALA H H 1 8.135 0.0 . 1 . . 20 . . 242 ALA H . 50014 1 160 . 1 . 1 35 35 ALA C C 13 178.280 0.05 . 1 . . 246 . . 242 ALA C . 50014 1 161 . 1 . 1 35 35 ALA CA C 13 52.914 0.031 . 1 . . 22 . . 242 ALA CA . 50014 1 162 . 1 . 1 35 35 ALA CB C 13 19.029 0.012 . 1 . . 166 . . 242 ALA CB . 50014 1 163 . 1 . 1 35 35 ALA N N 15 123.637 0.007 . 1 . . 21 . . 242 ALA N . 50014 1 164 . 1 . 1 36 36 GLY H H 1 8.168 0.001 . 1 . . 163 . . 243 GLY H . 50014 1 165 . 1 . 1 36 36 GLY C C 13 174.476 0.05 . 1 . . 219 . . 243 GLY C . 50014 1 166 . 1 . 1 36 36 GLY CA C 13 45.380 0.014 . 1 . . 165 . . 243 GLY CA . 50014 1 167 . 1 . 1 36 36 GLY N N 15 107.531 0.006 . 1 . . 164 . . 243 GLY N . 50014 1 168 . 1 . 1 37 37 LEU H H 1 7.988 0.001 . 1 . . 70 . . 244 LEU H . 50014 1 169 . 1 . 1 37 37 LEU C C 13 178.091 0.05 . 1 . . 245 . . 244 LEU C . 50014 1 170 . 1 . 1 37 37 LEU CA C 13 55.530 0.029 . 1 . . 185 . . 244 LEU CA . 50014 1 171 . 1 . 1 37 37 LEU CB C 13 42.245 0.021 . 1 . . 184 . . 244 LEU CB . 50014 1 172 . 1 . 1 37 37 LEU N N 15 121.381 0.03 . 1 . . 71 . . 244 LEU N . 50014 1 173 . 1 . 1 38 38 GLY H H 1 8.358 0.002 . 1 . . 167 . . 245 GLY H . 50014 1 174 . 1 . 1 38 38 GLY C C 13 173.922 0.05 . 1 . . 211 . . 245 GLY C . 50014 1 175 . 1 . 1 38 38 GLY CA C 13 45.312 0.007 . 1 . . 26 . . 245 GLY CA . 50014 1 176 . 1 . 1 38 38 GLY N N 15 109.288 0.009 . 1 . . 168 . . 245 GLY N . 50014 1 177 . 1 . 1 39 39 ALA H H 1 7.998 0.0 . 1 . . 24 . . 246 ALA H . 50014 1 178 . 1 . 1 39 39 ALA C C 13 177.740 0.05 . 1 . . 248 . . 246 ALA C . 50014 1 179 . 1 . 1 39 39 ALA CA C 13 52.485 0.022 . 1 . . 145 . . 246 ALA CA . 50014 1 180 . 1 . 1 39 39 ALA CB C 13 19.239 0.019 . 1 . . 146 . . 246 ALA CB . 50014 1 181 . 1 . 1 39 39 ALA N N 15 123.566 0.006 . 1 . . 25 . . 246 ALA N . 50014 1 182 . 1 . 1 40 40 ARG H H 1 8.207 0.0 . 1 . . 143 . . 247 ARG H . 50014 1 183 . 1 . 1 40 40 ARG C C 13 175.965 0.05 . 1 . . 237 . . 247 ARG C . 50014 1 184 . 1 . 1 40 40 ARG CA C 13 56.100 0.022 . 1 . . 140 . . 247 ARG CA . 50014 1 185 . 1 . 1 40 40 ARG CB C 13 30.754 0.03 . 1 . . 142 . . 247 ARG CB . 50014 1 186 . 1 . 1 40 40 ARG N N 15 119.657 0.008 . 1 . . 144 . . 247 ARG N . 50014 1 187 . 1 . 1 41 41 ASN H H 1 8.393 0.002 . 1 . . 138 . . 248 ASN H . 50014 1 188 . 1 . 1 41 41 ASN C C 13 175.031 0.05 . 1 . . 235 . . 248 ASN C . 50014 1 189 . 1 . 1 41 41 ASN CA C 13 53.208 0.015 . 1 . . 141 . . 248 ASN CA . 50014 1 190 . 1 . 1 41 41 ASN CB C 13 38.787 0.006 . 1 . . 126 . . 248 ASN CB . 50014 1 191 . 1 . 1 41 41 ASN N N 15 119.879 0.012 . 1 . . 139 . . 248 ASN N . 50014 1 192 . 1 . 1 42 42 VAL H H 1 7.979 0.001 . 1 . . 200 . . 249 VAL H . 50014 1 193 . 1 . 1 42 42 VAL C C 13 175.954 0.05 . 1 . . 207 . . 249 VAL C . 50014 1 194 . 1 . 1 42 42 VAL CA C 13 62.437 0.034 . 1 . . 205 . . 249 VAL CA . 50014 1 195 . 1 . 1 42 42 VAL CB C 13 32.733 0.001 . 1 . . 250 . . 249 VAL CB . 50014 1 196 . 1 . 1 42 42 VAL N N 15 120.216 0.009 . 1 . . 201 . . 249 VAL N . 50014 1 197 . 1 . 1 43 43 LYS H H 1 8.280 0.001 . 1 . . 194 . . 250 LYS H . 50014 1 198 . 1 . 1 43 43 LYS C C 13 176.268 0.05 . 1 . . 212 . . 250 LYS C . 50014 1 199 . 1 . 1 43 43 LYS CA C 13 56.434 0.067 . 1 . . 199 . . 250 LYS CA . 50014 1 200 . 1 . 1 43 43 LYS CB C 13 32.917 0.053 . 1 . . 33 . . 250 LYS CB . 50014 1 201 . 1 . 1 43 43 LYS N N 15 124.653 0.008 . 1 . . 195 . . 250 LYS N . 50014 1 202 . 1 . 1 44 44 GLU H H 1 8.360 0.002 . 1 . . 31 . . 251 GLU H . 50014 1 203 . 1 . 1 44 44 GLU C C 13 176.155 0.05 . 1 . . 208 . . 251 GLU C . 50014 1 204 . 1 . 1 44 44 GLU CA C 13 56.633 0.016 . 1 . . 34 . . 251 GLU CA . 50014 1 205 . 1 . 1 44 44 GLU CB C 13 30.189 0.013 . 1 . . 14 . . 251 GLU CB . 50014 1 206 . 1 . 1 44 44 GLU N N 15 122.442 0.009 . 1 . . 32 . . 251 GLU N . 50014 1 207 . 1 . 1 45 45 ALA H H 1 8.225 0.0 . 1 . . 11 . . 252 ALA H . 50014 1 208 . 1 . 1 45 45 ALA C C 13 177.815 0.05 . 1 . . 233 . . 252 ALA C . 50014 1 209 . 1 . 1 45 45 ALA CA C 13 52.526 0.037 . 1 . . 13 . . 252 ALA CA . 50014 1 210 . 1 . 1 45 45 ALA CB C 13 19.369 0.011 . 1 . . 137 . . 252 ALA CB . 50014 1 211 . 1 . 1 45 45 ALA N N 15 124.438 0.006 . 1 . . 12 . . 252 ALA N . 50014 1 212 . 1 . 1 46 46 GLU H H 1 8.358 0.002 . 1 . . 135 . . 253 GLU H . 50014 1 213 . 1 . 1 46 46 GLU C C 13 176.393 0.05 . 1 . . 223 . . 253 GLU C . 50014 1 214 . 1 . 1 46 46 GLU CA C 13 56.580 0.033 . 1 . . 87 . . 253 GLU CA . 50014 1 215 . 1 . 1 46 46 GLU CB C 13 30.189 0.007 . 1 . . 95 . . 253 GLU CB . 50014 1 216 . 1 . 1 46 46 GLU N N 15 120.241 0.007 . 1 . . 136 . . 253 GLU N . 50014 1 217 . 1 . 1 47 47 ASP H H 1 8.280 0.001 . 1 . . 85 . . 254 ASP H . 50014 1 218 . 1 . 1 47 47 ASP CA C 13 54.405 0.027 . 1 . . 96 . . 254 ASP CA . 50014 1 219 . 1 . 1 47 47 ASP CB C 13 41.197 0.05 . 1 . . 186 . . 254 ASP CB . 50014 1 220 . 1 . 1 47 47 ASP N N 15 121.052 0.007 . 1 . . 86 . . 254 ASP N . 50014 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 50014 _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 . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name . _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions . _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 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . folded 9124.08759124 Hz . . . . . . 50014 1 2 . . N 15 15N . folded 2128.56210681 Hz . . . . . . 50014 1 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 50014 1 2 1.0 . . 50014 1 3 1.0 . . 50014 1 4 1.0 . . 50014 1 5 1.0 . . 50014 1 6 1.0 . . 50014 1 7 1.0 . . 50014 1 8 1.0 . . 50014 1 9 1.0 . . 50014 1 10 1.0 . . 50014 1 11 1.0 . . 50014 1 12 1.0 . . 50014 1 13 1.0 . . 50014 1 14 1.0 . . 50014 1 15 1.0 . . 50014 1 16 1.0 . . 50014 1 17 1.0 . . 50014 1 18 1.0 . . 50014 1 19 1.0 . . 50014 1 20 1.0 . . 50014 1 21 1.0 . . 50014 1 22 1.0 . . 50014 1 23 1.0 . . 50014 1 24 1.0 . . 50014 1 25 1.0 . . 50014 1 26 1.0 . . 50014 1 27 1.0 . . 50014 1 28 1.0 . . 50014 1 29 1.0 . . 50014 1 30 1.0 . . 50014 1 31 1.0 . . 50014 1 32 1.0 . . 50014 1 33 1.0 . . 50014 1 34 1.0 . . 50014 1 35 1.0 . . 50014 1 36 1.0 . . 50014 1 37 1.0 . . 50014 1 38 1.0 . . 50014 1 39 1.0 . . 50014 1 40 1.0 . . 50014 1 41 1.0 . . 50014 1 42 1.0 . . 50014 1 43 1.0 . . 50014 1 44 1.0 . . 50014 1 45 1.0 . . 50014 1 46 1.0 . . 50014 1 47 1.0 . . 50014 1 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 395644.0 . height 50014 1 1 2984928.0 . volume 50014 1 2 239395.0 . height 50014 1 2 1524343.0 . volume 50014 1 3 443364.0 . height 50014 1 3 2875031.0 . volume 50014 1 4 563400.0 . height 50014 1 4 3251752.0 . volume 50014 1 5 517425.0 . height 50014 1 5 2968623.0 . volume 50014 1 6 445427.0 . height 50014 1 6 2575053.0 . volume 50014 1 7 386261.0 . height 50014 1 7 2281577.0 . volume 50014 1 8 370860.0 . height 50014 1 8 2225894.0 . volume 50014 1 9 522256.0 . height 50014 1 9 2891648.0 . volume 50014 1 10 442099.0 . height 50014 1 10 2831450.0 . volume 50014 1 11 340412.0 . height 50014 1 11 2220758.0 . volume 50014 1 12 346584.0 . height 50014 1 12 2296630.0 . volume 50014 1 13 472607.0 . height 50014 1 13 2746505.0 . volume 50014 1 14 269115.0 . height 50014 1 14 1840343.0 . volume 50014 1 15 310056.0 . height 50014 1 15 1909607.0 . volume 50014 1 16 489143.0 . height 50014 1 16 2916640.0 . volume 50014 1 17 375549.0 . height 50014 1 17 2397919.0 . volume 50014 1 18 515547.0 . height 50014 1 18 3103158.0 . volume 50014 1 19 373189.0 . height 50014 1 19 2664832.0 . volume 50014 1 20 634353.0 . height 50014 1 20 4369674.0 . volume 50014 1 21 619304.0 . height 50014 1 21 4628236.0 . volume 50014 1 22 283758.0 . height 50014 1 22 1831067.0 . volume 50014 1 23 508438.0 . height 50014 1 23 2932057.0 . volume 50014 1 24 596297.0 . height 50014 1 24 3569812.0 . volume 50014 1 25 464677.0 . height 50014 1 25 3360202.0 . volume 50014 1 26 317346.0 . height 50014 1 26 2156672.0 . volume 50014 1 27 485015.0 . height 50014 1 27 3233503.0 . volume 50014 1 28 544220.0 . height 50014 1 28 3665667.0 . volume 50014 1 29 346861.0 . height 50014 1 29 2115810.0 . volume 50014 1 30 408700.0 . height 50014 1 30 3004043.0 . volume 50014 1 31 472524.0 . height 50014 1 31 3016074.0 . volume 50014 1 32 262260.0 . height 50014 1 32 1791423.0 . volume 50014 1 33 536134.0 . height 50014 1 33 2985508.0 . volume 50014 1 34 166731.0 . height 50014 1 34 1096421.0 . volume 50014 1 35 361265.0 . height 50014 1 35 2076409.0 . volume 50014 1 36 315727.0 . height 50014 1 36 1968060.0 . volume 50014 1 37 162785.0 . height 50014 1 37 1057547.0 . volume 50014 1 38 217692.0 . height 50014 1 38 1390309.0 . volume 50014 1 39 290492.0 . height 50014 1 39 1734010.0 . volume 50014 1 40 275220.0 . height 50014 1 40 1759456.0 . volume 50014 1 41 215784.0 . height 50014 1 41 1369979.0 . volume 50014 1 42 291106.0 . height 50014 1 42 1860826.0 . volume 50014 1 43 502919.0 . height 50014 1 43 2843491.0 . volume 50014 1 44 459236.0 . height 50014 1 44 2683332.0 . volume 50014 1 45 167165.0 . height 50014 1 45 1108766.0 . volume 50014 1 46 280988.0 . height 50014 1 46 2304393.0 . volume 50014 1 47 725432.0 . height 50014 1 47 3672795.0 . volume 50014 1 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.302 . 21.85752900850 . . . . . . . . . . . 50014 1 1 2 125.133 . 18.68605306720 . . . . . . . . . . . 50014 1 2 1 8.142 . 23.71867860320 . . . . . . . . . . . 50014 1 2 2 124.800 . 11.19907149370 . . . . . . . . . . . 50014 1 3 1 8.280 . 18.76037159980 . . . . . . . . . . . 50014 1 3 2 124.652 . 10.88487251940 . . . . . . . . . . . 50014 1 4 1 8.226 . 19.77082260330 . . . . . . . . . . . 50014 1 4 2 124.443 . 9.03596411996 . . . . . . . . . . . 50014 1 5 1 8.258 . 19.91235644280 . . . . . . . . . . . 50014 1 5 2 123.627 . 9.09324691296 . . . . . . . . . . . 50014 1 6 1 8.136 . 20.83497760940 . . . . . . . . . . . 50014 1 6 2 123.634 . 9.13137200553 . . . . . . . . . . . 50014 1 7 1 7.998 . 21.80559247950 . . . . . . . . . . . 50014 1 7 2 123.572 . 9.70001315330 . . . . . . . . . . . 50014 1 8 1 8.286 . 20.12037447770 . . . . . . . . . . . 50014 1 8 2 122.828 . 9.37648907324 . . . . . . . . . . . 50014 1 9 1 8.358 . 20.95557368580 . . . . . . . . . . . 50014 1 9 2 122.453 . 8.68338630879 . . . . . . . . . . . 50014 1 10 1 8.166 . 22.94221389900 . . . . . . . . . . . 50014 1 10 2 122.348 . 12.63818272510 . . . . . . . . . . . 50014 1 11 1 8.096 . 23.02107040900 . . . . . . . . . . . 50014 1 11 2 122.476 . 10.90948572400 . . . . . . . . . . . 50014 1 12 1 8.066 . 22.17839342830 . . . . . . . . . . . 50014 1 12 2 122.254 . 10.74715275910 . . . . . . . . . . . 50014 1 13 1 8.019 . 20.92729410990 . . . . . . . . . . . 50014 1 13 2 122.110 . 9.24143362884 . . . . . . . . . . . 50014 1 14 1 8.161 . 48.77492676690 . . . . . . . . . . . 50014 1 14 2 122.163 . 26.38173939040 . . . . . . . . . . . 50014 1 15 1 8.204 . 28.97310539750 . . . . . . . . . . . 50014 1 15 2 122.115 . 10.07238302580 . . . . . . . . . . . 50014 1 16 1 7.988 . 20.57094426050 . . . . . . . . . . . 50014 1 16 2 121.406 . 10.65967438530 . . . . . . . . . . . 50014 1 17 1 7.992 . 21.34496169370 . . . . . . . . . . . 50014 1 17 2 121.224 . 24.54976842800 . . . . . . . . . . . 50014 1 18 1 8.050 . 29.24692783040 . . . . . . . . . . . 50014 1 18 2 121.298 . 9.38797100628 . . . . . . . . . . . 50014 1 19 1 8.071 . 35.88066375170 . . . . . . . . . . . 50014 1 19 2 121.334 . 10.85607253270 . . . . . . . . . . . 50014 1 20 1 8.280 . 20.78644006790 . . . . . . . . . . . 50014 1 20 2 121.053 . 15.27509428590 . . . . . . . . . . . 50014 1 21 1 8.279 . 20.97229670430 . . . . . . . . . . . 50014 1 21 2 120.974 . 15.63534786440 . . . . . . . . . . . 50014 1 22 1 8.501 . 22.11204519240 . . . . . . . . . . . 50014 1 22 2 120.970 . 10.17369046820 . . . . . . . . . . . 50014 1 23 1 7.957 . 19.78849733830 . . . . . . . . . . . 50014 1 23 2 120.881 . 9.06121168542 . . . . . . . . . . . 50014 1 24 1 8.073 . 27.48883553670 . . . . . . . . . . . 50014 1 24 2 120.827 . 9.34952873324 . . . . . . . . . . . 50014 1 25 1 8.087 . 31.78869068190 . . . . . . . . . . . 50014 1 25 2 120.832 . 11.68879814030 . . . . . . . . . . . 50014 1 26 1 8.123 . 25.55562740690 . . . . . . . . . . . 50014 1 26 2 120.628 . 11.32568993760 . . . . . . . . . . . 50014 1 27 1 8.096 . 22.30592343930 . . . . . . . . . . . 50014 1 27 2 120.503 . 10.63709113580 . . . . . . . . . . . 50014 1 28 1 7.975 . 32.37549188360 . . . . . . . . . . . 50014 1 28 2 120.230 . 11.22197192370 . . . . . . . . . . . 50014 1 29 1 7.906 . 22.69381589260 . . . . . . . . . . . 50014 1 29 2 120.191 . 9.91747208398 . . . . . . . . . . . 50014 1 30 1 7.960 . 30.83996529130 . . . . . . . . . . . 50014 1 30 2 120.273 . 11.95028172040 . . . . . . . . . . . 50014 1 31 1 8.213 . 20.45633040210 . . . . . . . . . . . 50014 1 31 2 120.376 . 10.04466145270 . . . . . . . . . . . 50014 1 32 1 8.278 . 23.20937431640 . . . . . . . . . . . 50014 1 32 2 120.319 . 11.49468369230 . . . . . . . . . . . 50014 1 33 1 8.357 . 20.94782399440 . . . . . . . . . . . 50014 1 33 2 120.237 . 8.39621111066 . . . . . . . . . . . 50014 1 34 1 8.392 . 24.67814479430 . . . . . . . . . . . 50014 1 34 2 119.887 . 11.76117872380 . . . . . . . . . . . 50014 1 35 1 8.207 . 22.37403914880 . . . . . . . . . . . 50014 1 35 2 119.657 . 9.03038174367 . . . . . . . . . . . 50014 1 36 1 8.405 . 22.51217400070 . . . . . . . . . . . 50014 1 36 2 118.675 . 10.13797594720 . . . . . . . . . . . 50014 1 37 1 8.255 . 26.59435798650 . . . . . . . . . . . 50014 1 37 2 117.194 . 11.88602095700 . . . . . . . . . . . 50014 1 38 1 8.001 . 24.72912960680 . . . . . . . . . . . 50014 1 38 2 115.900 . 11.13772879060 . . . . . . . . . . . 50014 1 39 1 7.394 . 24.53090065590 . . . . . . . . . . . 50014 1 39 2 108.103 . 9.36951110289 . . . . . . . . . . . 50014 1 40 1 8.168 . 24.24089904250 . . . . . . . . . . . 50014 1 40 2 107.530 . 10.85416944990 . . . . . . . . . . . 50014 1 41 1 8.218 . 25.88070657130 . . . . . . . . . . . 50014 1 41 2 109.873 . 10.95160729050 . . . . . . . . . . . 50014 1 42 1 8.356 . 24.04634099810 . . . . . . . . . . . 50014 1 42 2 109.291 . 10.57441627480 . . . . . . . . . . . 50014 1 44 1 8.256 . 21.23918520270 . . . . . . . . . . . 50014 1 44 2 109.406 . 9.11766980920 . . . . . . . . . . . 50014 1 45 1 8.285 . 24.26632346900 . . . . . . . . . . . 50014 1 45 2 109.660 . 16.94504946380 . . . . . . . . . . . 50014 1 46 1 8.303 . 23.00108436250 . . . . . . . . . . . 50014 1 46 2 125.237 . 22.63311028000 . . . . . . . . . . . 50014 1 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 3 . . 8.302 . . 1 . 1 1 29 LYS H . . . . . . . . . . 252 . 50014 1 1 2 3 . . 125.133 . . 1 . 1 1 29 LYS N . . . . . . . . . . 253 . 50014 1 2 1 1 . . 8.142 . . 1 . 1 1 32 ALA H . . . . . . . . . . 5 . 50014 1 2 2 1 . . 124.800 . . 1 . 1 1 32 ALA N . . . . . . . . . . 6 . 50014 1 3 1 2 . . 8.280 . . 1 . 1 1 43 LYS H . . . . . . . . . . 194 . 50014 1 3 2 2 . . 124.652 . . 1 . 1 1 43 LYS N . . . . . . . . . . 195 . 50014 1 4 1 1 . . 8.226 . . 1 . 1 1 45 ALA H . . . . . . . . . . 11 . 50014 1 4 2 1 . . 124.443 . . 1 . 1 1 45 ALA N . . . . . . . . . . 12 . 50014 1 5 1 1 . . 8.258 . . 1 . 1 1 5 ASP H . . . . . . . . . . 15 . 50014 1 5 2 1 . . 123.627 . . 1 . 1 1 5 ASP N . . . . . . . . . . 16 . 50014 1 6 1 1 . . 8.136 . . 1 . 1 1 35 ALA H . . . . . . . . . . 20 . 50014 1 6 2 1 . . 123.634 . . 1 . 1 1 35 ALA N . . . . . . . . . . 21 . 50014 1 7 1 1 . . 7.998 . . 1 . 1 1 39 ALA H . . . . . . . . . . 24 . 50014 1 7 2 1 . . 123.572 . . 1 . 1 1 39 ALA N . . . . . . . . . . 25 . 50014 1 8 1 1 . . 8.286 . . 1 . 1 1 27 GLU H . . . . . . . . . . 27 . 50014 1 8 2 1 . . 122.828 . . 1 . 1 1 27 GLU N . . . . . . . . . . 28 . 50014 1 9 1 1 . . 8.358 . . 1 . 1 1 44 GLU H . . . . . . . . . . 31 . 50014 1 9 2 1 . . 122.453 . . 1 . 1 1 44 GLU N . . . . . . . . . . 32 . 50014 1 10 1 1 . . 8.166 . . 1 . 1 1 28 VAL H . . . . . . . . . . 35 . 50014 1 10 2 1 . . 122.348 . . 1 . 1 1 28 VAL N . . . . . . . . . . 36 . 50014 1 11 1 1 . . 8.096 . . 1 . 1 1 34 LEU H . . . . . . . . . . 39 . 50014 1 11 2 1 . . 122.476 . . 1 . 1 1 34 LEU N . . . . . . . . . . 40 . 50014 1 12 1 1 . . 8.066 . . 1 . 1 1 18 ASP H . . . . . . . . . . 43 . 50014 1 12 2 1 . . 122.254 . . 1 . 1 1 18 ASP N . . . . . . . . . . 44 . 50014 1 13 1 1 . . 8.019 . . 1 . 1 1 11 LEU H . . . . . . . . . . 47 . 50014 1 13 2 1 . . 122.110 . . 1 . 1 1 11 LEU N . . . . . . . . . . 48 . 50014 1 14 1 1 . . 8.161 . . 1 . 1 1 30 ARG H . . . . . . . . . . 51 . 50014 1 14 2 1 . . 122.163 . . 1 . 1 1 30 ARG N . . . . . . . . . . 52 . 50014 1 15 1 1 . . 8.204 . . 1 . 1 1 22 ARG H . . . . . . . . . . 57 . 50014 1 15 2 1 . . 122.115 . . 1 . 1 1 22 ARG N . . . . . . . . . . 58 . 50014 1 16 1 1 . . 7.988 . . 1 . 1 1 37 LEU H . . . . . . . . . . 70 . 50014 1 16 2 1 . . 121.406 . . 1 . 1 1 37 LEU N . . . . . . . . . . 71 . 50014 1 17 1 1 . . 7.992 . . 1 . 1 1 17 TRP H . . . . . . . . . . 72 . 50014 1 17 2 1 . . 121.224 . . 1 . 1 1 17 TRP N . . . . . . . . . . 73 . 50014 1 18 1 1 . . 8.050 . . 1 . 1 1 25 VAL H . . . . . . . . . . 76 . 50014 1 18 2 1 . . 121.298 . . 1 . 1 1 25 VAL N . . . . . . . . . . 77 . 50014 1 19 1 1 . . 8.071 . . 1 . 1 1 15 PHE H . . . . . . . . . . 80 . 50014 1 19 2 1 . . 121.334 . . 1 . 1 1 15 PHE N . . . . . . . . . . 81 . 50014 1 20 1 1 . . 8.280 . . 1 . 1 1 47 ASP H . . . . . . . . . . 85 . 50014 1 20 2 1 . . 121.053 . . 1 . 1 1 47 ASP N . . . . . . . . . . 86 . 50014 1 21 1 1 . . 8.279 . . 1 . 1 1 9 GLU H . . . . . . . . . . 83 . 50014 1 21 2 1 . . 120.974 . . 1 . 1 1 9 GLU N . . . . . . . . . . 84 . 50014 1 22 1 1 . . 8.501 . . 1 . 1 1 3 MET H . . . . . . . . . . 90 . 50014 1 22 2 1 . . 120.970 . . 1 . 1 1 3 MET N . . . . . . . . . . 91 . 50014 1 23 1 1 . . 7.957 . . 1 . 1 1 12 LEU H . . . . . . . . . . 97 . 50014 1 23 2 1 . . 120.881 . . 1 . 1 1 12 LEU N . . . . . . . . . . 98 . 50014 1 24 1 1 . . 8.073 . . 1 . 1 1 4 VAL H . . . . . . . . . . 101 . 50014 1 24 2 1 . . 120.827 . . 1 . 1 1 4 VAL N . . . . . . . . . . 102 . 50014 1 25 1 1 . . 8.087 . . 1 . 1 1 24 LYS H . . . . . . . . . . 106 . 50014 1 25 2 1 . . 120.832 . . 1 . 1 1 24 LYS N . . . . . . . . . . 107 . 50014 1 26 1 1 . . 8.123 . . 1 . 1 1 31 TYR H . . . . . . . . . . 109 . 50014 1 26 2 1 . . 120.628 . . 1 . 1 1 31 TYR N . . . . . . . . . . 110 . 50014 1 27 1 1 . . 8.096 . . 1 . 1 1 6 ASP H . . . . . . . . . . 113 . 50014 1 27 2 1 . . 120.503 . . 1 . 1 1 6 ASP N . . . . . . . . . . 114 . 50014 1 28 1 2 . . 7.975 . . 1 . 1 1 42 VAL H . . . . . . . . . . 200 . 50014 1 28 2 2 . . 120.230 . . 1 . 1 1 42 VAL N . . . . . . . . . . 201 . 50014 1 29 1 1 . . 7.906 . . 1 . 1 1 20 LYS H . . . . . . . . . . 117 . 50014 1 29 2 1 . . 120.191 . . 1 . 1 1 20 LYS N . . . . . . . . . . 118 . 50014 1 30 1 1 . . 7.960 . . 1 . 1 1 13 ARG H . . . . . . . . . . 120 . 50014 1 30 2 1 . . 120.273 . . 1 . 1 1 13 ARG N . . . . . . . . . . 121 . 50014 1 31 1 1 . . 8.213 . . 1 . 1 1 7 PHE H . . . . . . . . . . 127 . 50014 1 31 2 1 . . 120.376 . . 1 . 1 1 7 PHE N . . . . . . . . . . 128 . 50014 1 32 1 1 . . 8.278 . . 1 . 1 1 21 MET H . . . . . . . . . . 131 . 50014 1 32 2 1 . . 120.319 . . 1 . 1 1 21 MET N . . . . . . . . . . 132 . 50014 1 33 1 1 . . 8.357 . . 1 . 1 1 46 GLU H . . . . . . . . . . 135 . 50014 1 33 2 1 . . 120.237 . . 1 . 1 1 46 GLU N . . . . . . . . . . 136 . 50014 1 34 1 1 . . 8.392 . . 1 . 1 1 41 ASN H . . . . . . . . . . 138 . 50014 1 34 2 1 . . 119.887 . . 1 . 1 1 41 ASN N . . . . . . . . . . 139 . 50014 1 35 1 1 . . 8.207 . . 1 . 1 1 40 ARG H . . . . . . . . . . 143 . 50014 1 35 2 1 . . 119.657 . . 1 . 1 1 40 ARG N . . . . . . . . . . 144 . 50014 1 36 1 1 . . 8.405 . . 1 . 1 1 10 ASN H . . . . . . . . . . 147 . 50014 1 36 2 1 . . 118.675 . . 1 . 1 1 10 ASN N . . . . . . . . . . 148 . 50014 1 37 1 1 . . 8.255 . . 1 . 1 1 33 ASN H . . . . . . . . . . 151 . 50014 1 37 2 1 . . 117.194 . . 1 . 1 1 33 ASN N . . . . . . . . . . 152 . 50014 1 38 1 1 . . 8.001 . . 1 . 1 1 14 SER H . . . . . . . . . . 155 . 50014 1 38 2 1 . . 115.900 . . 1 . 1 1 14 SER N . . . . . . . . . . 156 . 50014 1 39 1 1 . . 7.394 . . 1 . 1 1 19 GLY H . . . . . . . . . . 159 . 50014 1 39 2 1 . . 108.103 . . 1 . 1 1 19 GLY N . . . . . . . . . . 160 . 50014 1 40 1 1 . . 8.168 . . 1 . 1 1 36 GLY H . . . . . . . . . . 163 . 50014 1 40 2 1 . . 107.530 . . 1 . 1 1 36 GLY N . . . . . . . . . . 164 . 50014 1 41 1 1 . . 8.218 . . 1 . 1 1 16 GLY H . . . . . . . . . . 173 . 50014 1 41 2 1 . . 109.873 . . 1 . 1 1 16 GLY N . . . . . . . . . . 174 . 50014 1 42 1 1 . . 8.356 . . 1 . 1 1 38 GLY H . . . . . . . . . . 167 . 50014 1 42 2 1 . . 109.291 . . 1 . 1 1 38 GLY N . . . . . . . . . . 168 . 50014 1 44 1 1 . . 8.256 . . 1 . 1 1 8 GLY H . . . . . . . . . . 169 . 50014 1 44 2 1 . . 109.406 . . 1 . 1 1 8 GLY N . . . . . . . . . . 170 . 50014 1 45 1 1 . . 8.285 . . 1 . 1 1 23 GLY H . . . . . . . . . . 181 . 50014 1 45 2 1 . . 109.660 . . 1 . 1 1 23 GLY N . . . . . . . . . . 182 . 50014 1 46 1 1 . . 8.303 . . 1 . 1 1 26 LYS H . . . . . . . . . . 254 . 50014 1 46 2 1 . . 125.237 . . 1 . 1 1 26 LYS N . . . . . . . . . . 255 . 50014 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 50014 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name . _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions . _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 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . folded 9765.62500000 Hz . . . . . . 50014 2 2 . . N 15 15N . folded 1440.32191306 Hz . . . . . . 50014 2 3 . . C 13 13C . folded 3952.48072187 Hz . . . . . . 50014 2 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 50014 2 2 1.0 . . 50014 2 3 1.0 . . 50014 2 4 1.0 . . 50014 2 5 1.0 . . 50014 2 6 1.0 . . 50014 2 7 1.0 . . 50014 2 8 1.0 . . 50014 2 9 1.0 . . 50014 2 10 1.0 . . 50014 2 11 1.0 . . 50014 2 12 1.0 . . 50014 2 13 1.0 . . 50014 2 14 1.0 . . 50014 2 15 1.0 . . 50014 2 16 1.0 . . 50014 2 17 1.0 . . 50014 2 18 1.0 . . 50014 2 19 1.0 . . 50014 2 20 1.0 . . 50014 2 21 1.0 . . 50014 2 22 1.0 . . 50014 2 23 1.0 . . 50014 2 24 1.0 . . 50014 2 25 1.0 . . 50014 2 26 1.0 . . 50014 2 27 1.0 . . 50014 2 28 1.0 . . 50014 2 29 1.0 . . 50014 2 30 1.0 . . 50014 2 31 1.0 . . 50014 2 32 1.0 . . 50014 2 33 1.0 . . 50014 2 34 1.0 . . 50014 2 35 1.0 . . 50014 2 36 1.0 . . 50014 2 37 1.0 . . 50014 2 38 1.0 . . 50014 2 39 1.0 . . 50014 2 40 1.0 . . 50014 2 41 1.0 . . 50014 2 42 1.0 . . 50014 2 43 1.0 . . 50014 2 44 1.0 . . 50014 2 45 1.0 . . 50014 2 46 1.0 . . 50014 2 47 1.0 . . 50014 2 48 1.0 . . 50014 2 49 1.0 . . 50014 2 50 1.0 . . 50014 2 51 1.0 . . 50014 2 52 1.0 . . 50014 2 53 1.0 . . 50014 2 54 1.0 . . 50014 2 55 1.0 . . 50014 2 56 1.0 . . 50014 2 57 1.0 . . 50014 2 58 1.0 . . 50014 2 59 1.0 . . 50014 2 60 1.0 . . 50014 2 61 1.0 . . 50014 2 62 1.0 . . 50014 2 63 1.0 . . 50014 2 64 1.0 . . 50014 2 65 1.0 . . 50014 2 66 1.0 . . 50014 2 67 1.0 . . 50014 2 68 1.0 . . 50014 2 69 1.0 . . 50014 2 70 1.0 . . 50014 2 71 1.0 . . 50014 2 72 1.0 . . 50014 2 73 1.0 . . 50014 2 74 1.0 . . 50014 2 75 1.0 . . 50014 2 76 1.0 . . 50014 2 77 1.0 . . 50014 2 78 1.0 . . 50014 2 79 1.0 . . 50014 2 80 1.0 . . 50014 2 81 1.0 . . 50014 2 82 1.0 . . 50014 2 83 1.0 . . 50014 2 84 1.0 . . 50014 2 85 1.0 . . 50014 2 86 1.0 . . 50014 2 87 1.0 . . 50014 2 88 1.0 . . 50014 2 89 1.0 . . 50014 2 90 1.0 . . 50014 2 91 1.0 . . 50014 2 92 1.0 . . 50014 2 93 1.0 . . 50014 2 94 1.0 . . 50014 2 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 288855.7500000 . height 50014 2 1 6310495.5468800 . volume 50014 2 2 113630.8515620 . height 50014 2 2 2420392.1718800 . volume 50014 2 3 245094.9218750 . height 50014 2 3 5112877.1562500 . volume 50014 2 4 593155.6875000 . height 50014 2 4 12173607.5312000 . volume 50014 2 5 301364.8125000 . height 50014 2 5 6273552.2656200 . volume 50014 2 6 811789.0625000 . height 50014 2 6 16484843.5000000 . volume 50014 2 7 521980.0625000 . height 50014 2 7 11665085.2812000 . volume 50014 2 8 268864.9062500 . height 50014 2 8 5758766.5625000 . volume 50014 2 9 599938.3750000 . height 50014 2 9 12199470.1250000 . volume 50014 2 10 187215.5937500 . height 50014 2 10 3942254.7500000 . volume 50014 2 11 423979.3750000 . height 50014 2 11 9153185.7187500 . volume 50014 2 12 343452.6875000 . height 50014 2 12 6851989.9687500 . volume 50014 2 13 681316.1250000 . height 50014 2 13 14497990.9375000 . volume 50014 2 14 600200.1250000 . height 50014 2 14 13066483.9375000 . volume 50014 2 15 759299.8750000 . height 50014 2 15 15677772.8125000 . volume 50014 2 16 708188.3750000 . height 50014 2 16 15384402.4688000 . volume 50014 2 17 541753.3125000 . height 50014 2 17 11433519.1875000 . volume 50014 2 18 378881.3750000 . height 50014 2 18 8367135.7968800 . volume 50014 2 19 388638.8750000 . height 50014 2 19 8394703.8125000 . volume 50014 2 20 168112.3750000 . height 50014 2 20 3542376.5781200 . volume 50014 2 21 145443.8125000 . height 50014 2 21 3177722.5468800 . volume 50014 2 22 377671.5625000 . height 50014 2 22 8145756.4843800 . volume 50014 2 23 220589.2187500 . height 50014 2 23 4646733.8671900 . volume 50014 2 24 509017.7812500 . height 50014 2 24 10832777.6562000 . volume 50014 2 25 474029.6250000 . height 50014 2 25 10700800.6250000 . volume 50014 2 26 394016.5000000 . height 50014 2 26 8734233.6718800 . volume 50014 2 27 318695.6250000 . height 50014 2 27 6923252.3593800 . volume 50014 2 28 134867.2031250 . height 50014 2 28 2877716.3164100 . volume 50014 2 29 71678.9531250 . height 50014 2 29 1546526.0390600 . volume 50014 2 30 45918.1757812 . height 50014 2 30 914622.7812500 . volume 50014 2 31 926260.0625000 . height 50014 2 31 18169923.9375000 . volume 50014 2 32 1043499.3750000 . height 50014 2 32 22900408.3750000 . volume 50014 2 33 529503.5625000 . height 50014 2 33 11097075.5000000 . volume 50014 2 34 531006.7500000 . height 50014 2 34 10944368.1250000 . volume 50014 2 35 409848.0937500 . height 50014 2 35 8702487.3125000 . volume 50014 2 36 404540.6562500 . height 50014 2 36 8717127.1875000 . volume 50014 2 37 657484.4375000 . height 50014 2 37 13735190.4375000 . volume 50014 2 38 261410.3281250 . height 50014 2 38 5615890.0625000 . volume 50014 2 39 137447.6093750 . height 50014 2 39 2936747.8359400 . volume 50014 2 40 314489.7500000 . height 50014 2 40 6899478.0312500 . volume 50014 2 41 422920.2500000 . height 50014 2 41 8246183.0781200 . volume 50014 2 42 312872.0000000 . height 50014 2 42 6599025.8281200 . volume 50014 2 43 193924.7656250 . height 50014 2 43 4169093.6250000 . volume 50014 2 44 519136.3437500 . height 50014 2 44 10919420.6250000 . volume 50014 2 45 288577.8125000 . height 50014 2 45 5974356.6718800 . volume 50014 2 46 565804.0000000 . height 50014 2 46 11706318.9062000 . volume 50014 2 47 859398.9375000 . height 50014 2 47 17854566.9375000 . volume 50014 2 48 341556.8125000 . height 50014 2 48 7677257.8437500 . volume 50014 2 49 301001.1562500 . height 50014 2 49 6435979.8125000 . volume 50014 2 50 646623.4375000 . height 50014 2 50 13421060.0312000 . volume 50014 2 51 329918.7187500 . height 50014 2 51 7203158.4531200 . volume 50014 2 52 269852.8750000 . height 50014 2 52 5552170.9687500 . volume 50014 2 53 1239561.2500000 . height 50014 2 53 25043625.0000000 . volume 50014 2 54 391404.5625000 . height 50014 2 54 8402669.3125000 . volume 50014 2 55 170220.2343750 . height 50014 2 55 3785288.4140600 . volume 50014 2 56 869934.0000000 . height 50014 2 56 17880175.2500000 . volume 50014 2 57 709383.7500000 . height 50014 2 57 15091236.2188000 . volume 50014 2 58 257655.4687500 . height 50014 2 58 5203805.4531200 . volume 50014 2 59 441155.0937500 . height 50014 2 59 9122566.4843800 . volume 50014 2 60 516643.2812500 . height 50014 2 60 11402893.2188000 . volume 50014 2 61 174913.2656250 . height 50014 2 61 3755441.2031200 . volume 50014 2 62 639685.8125000 . height 50014 2 62 13338036.9062000 . volume 50014 2 63 247523.3750000 . height 50014 2 63 5121248.7968800 . volume 50014 2 64 631889.5000000 . height 50014 2 64 14060193.4688000 . volume 50014 2 65 222431.4375000 . height 50014 2 65 4856633.8671900 . volume 50014 2 66 172259.6250000 . height 50014 2 66 3565651.6875000 . volume 50014 2 67 381382.6562500 . height 50014 2 67 8212082.4062500 . volume 50014 2 68 606982.3125000 . height 50014 2 68 12752702.0312000 . volume 50014 2 69 298093.8437500 . height 50014 2 69 6369268.8593800 . volume 50014 2 70 75565.5390625 . height 50014 2 70 1633289.6953100 . volume 50014 2 71 144093.3593750 . height 50014 2 71 3082219.3046900 . volume 50014 2 72 369315.6875000 . height 50014 2 72 8100071.3750000 . volume 50014 2 73 170988.3906250 . height 50014 2 73 3693774.5546900 . volume 50014 2 74 312189.0625000 . height 50014 2 74 6659893.2343800 . volume 50014 2 75 147217.5937500 . height 50014 2 75 3154060.7109400 . volume 50014 2 76 151511.3437500 . height 50014 2 76 3390595.8281200 . volume 50014 2 77 93200.3906250 . height 50014 2 77 2010940.5937500 . volume 50014 2 78 250984.4687500 . height 50014 2 78 5435062.2968800 . volume 50014 2 79 108104.6875000 . height 50014 2 79 2356835.8203100 . volume 50014 2 80 681485.5625000 . height 50014 2 80 14070400.5312000 . volume 50014 2 81 103545.8046880 . height 50014 2 81 2282321.7578100 . volume 50014 2 82 685514.8125000 . height 50014 2 82 14208157.2500000 . volume 50014 2 83 149473.8125000 . height 50014 2 83 3159456.7187500 . volume 50014 2 84 123485.7500000 . height 50014 2 84 2662329.8125000 . volume 50014 2 85 762825.8750000 . height 50014 2 85 15668119.1250000 . volume 50014 2 86 178793.0000000 . height 50014 2 86 3811879.1093800 . volume 50014 2 87 22174.0664062 . height 50014 2 87 352072.1289060 . volume 50014 2 88 1251895.7500000 . height 50014 2 88 25202261.8125000 . volume 50014 2 89 92395.4140625 . height 50014 2 89 2140793.9296900 . volume 50014 2 90 510139.9375000 . height 50014 2 90 10675477.9375000 . volume 50014 2 91 419562.5937500 . height 50014 2 91 8733438.7968800 . volume 50014 2 92 84090.8515625 . height 50014 2 92 1732574.8046900 . volume 50014 2 93 339613.6250000 . height 50014 2 93 7304560.9687500 . volume 50014 2 94 673835.8125000 . height 50014 2 94 14749754.5938000 . volume 50014 2 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.143 . 19.2510196939 . . . . . . . . . . . 50014 2 1 2 124.790 . 26.5073940351 . . . . . . . . . . . 50014 2 1 3 52.683 . 70.4885717860 . . . . . . . . . . . 50014 2 2 1 8.143 . 17.4730666913 . . . . . . . . . . . 50014 2 2 2 124.795 . 27.0213879739 . . . . . . . . . . . 50014 2 2 3 57.683 . 71.6668562124 . . . . . . . . . . . 50014 2 3 1 8.279 . 16.4883385878 . . . . . . . . . . . 50014 2 3 2 124.656 . 27.2460463681 . . . . . . . . . . . 50014 2 3 3 62.466 . 72.1723653212 . . . . . . . . . . . 50014 2 4 1 8.279 . 15.8074544743 . . . . . . . . . . . 50014 2 4 2 124.660 . 27.3864645715 . . . . . . . . . . . 50014 2 4 3 56.385 . 73.2345646429 . . . . . . . . . . . 50014 2 5 1 8.225 . 15.8701732289 . . . . . . . . . . . 50014 2 5 2 124.441 . 24.8295977149 . . . . . . . . . . . 50014 2 5 3 56.657 . 68.0809985190 . . . . . . . . . . . 50014 2 6 1 8.225 . 15.3259315994 . . . . . . . . . . . 50014 2 6 2 124.433 . 24.8022867231 . . . . . . . . . . . 50014 2 6 3 52.589 . 69.4625938441 . . . . . . . . . . . 50014 2 7 1 8.258 . 16.7054531630 . . . . . . . . . . . 50014 2 7 2 123.630 . 25.8554071519 . . . . . . . . . . . 50014 2 7 3 54.080 . 81.6767964570 . . . . . . . . . . . 50014 2 8 1 8.257 . 16.6818790603 . . . . . . . . . . . 50014 2 8 2 123.605 . 25.5196053620 . . . . . . . . . . . 50014 2 8 3 62.003 . 73.0507485030 . . . . . . . . . . . 50014 2 9 1 8.135 . 15.6922033057 . . . . . . . . . . . 50014 2 9 2 123.623 . 25.5563920338 . . . . . . . . . . . 50014 2 9 3 52.953 . 68.7202616982 . . . . . . . . . . . 50014 2 10 1 8.136 . 16.4206721820 . . . . . . . . . . . 50014 2 10 2 123.632 . 25.8221188625 . . . . . . . . . . . 50014 2 10 3 55.436 . 69.3345527392 . . . . . . . . . . . 50014 2 11 1 7.998 . 17.5190507434 . . . . . . . . . . . 50014 2 11 2 123.559 . 25.9515160881 . . . . . . . . . . . 50014 2 11 3 52.449 . 70.9159251699 . . . . . . . . . . . 50014 2 12 1 7.998 . 16.6028621607 . . . . . . . . . . . 50014 2 12 2 123.561 . 26.1951365737 . . . . . . . . . . . 50014 2 12 3 45.311 . 35.0966911328 . . . . . . . . . . . 50014 2 13 1 8.285 . 16.9948907569 . . . . . . . . . . . 50014 2 13 2 122.824 . 25.7588045789 . . . . . . . . . . . 50014 2 13 3 56.498 . 72.3606575991 . . . . . . . . . . . 50014 2 14 1 8.285 . 17.7000765689 . . . . . . . . . . . 50014 2 14 2 122.850 . 26.4463118483 . . . . . . . . . . . 50014 2 14 3 56.334 . 75.2418769402 . . . . . . . . . . . 50014 2 15 1 8.359 . 16.1444768310 . . . . . . . . . . . 50014 2 15 2 122.438 . 25.8443969053 . . . . . . . . . . . 50014 2 15 3 56.529 . 80.0546676122 . . . . . . . . . . . 50014 2 16 1 8.359 . 16.6459358297 . . . . . . . . . . . 50014 2 16 2 122.450 . 25.6874633320 . . . . . . . . . . . 50014 2 16 3 56.632 . 83.3690121992 . . . . . . . . . . . 50014 2 17 1 8.165 . 18.1945506483 . . . . . . . . . . . 50014 2 17 2 122.333 . 25.0548355958 . . . . . . . . . . . 50014 2 17 3 62.519 . 69.5305604655 . . . . . . . . . . . 50014 2 18 1 8.166 . 19.8840280063 . . . . . . . . . . . 50014 2 18 2 122.350 . 29.4784436184 . . . . . . . . . . . 50014 2 18 3 56.440 . 89.0656045358 . . . . . . . . . . . 50014 2 19 1 8.095 . 17.6471075974 . . . . . . . . . . . 50014 2 19 2 122.482 . 25.7729268836 . . . . . . . . . . . 50014 2 19 3 55.428 . 73.3911116790 . . . . . . . . . . . 50014 2 20 1 8.095 . 16.3746881299 . . . . . . . . . . . 50014 2 20 2 122.460 . 25.0603514504 . . . . . . . . . . . 50014 2 20 3 53.288 . 84.2107617254 . . . . . . . . . . . 50014 2 21 1 8.065 . 18.2577059604 . . . . . . . . . . . 50014 2 21 2 122.256 . 27.6544556907 . . . . . . . . . . . 50014 2 21 3 57.656 . 75.8105820497 . . . . . . . . . . . 50014 2 22 1 8.065 . 17.7830224857 . . . . . . . . . . . 50014 2 22 2 122.250 . 27.1170354670 . . . . . . . . . . . 50014 2 22 3 53.874 . 79.1242198781 . . . . . . . . . . . 50014 2 23 1 8.018 . 17.4375600182 . . . . . . . . . . . 50014 2 23 2 122.104 . 24.2919306728 . . . . . . . . . . . 50014 2 23 3 53.998 . 76.8322016468 . . . . . . . . . . . 50014 2 24 1 8.018 . 17.1610736288 . . . . . . . . . . . 50014 2 24 2 122.108 . 25.6783847076 . . . . . . . . . . . 50014 2 24 3 56.045 . 73.0697720894 . . . . . . . . . . . 50014 2 25 1 8.162 . 21.3630846702 . . . . . . . . . . . 50014 2 25 2 122.170 . 28.6777432875 . . . . . . . . . . . 50014 2 25 3 56.136 . 85.7133305690 . . . . . . . . . . . 50014 2 26 1 8.163 . 20.6968979910 . . . . . . . . . . . 50014 2 26 2 122.239 . 28.7132636737 . . . . . . . . . . . 50014 2 26 3 56.430 . 94.8432385285 . . . . . . . . . . . 50014 2 27 1 8.202 . 20.0084468815 . . . . . . . . . . . 50014 2 27 2 122.107 . 26.6863481016 . . . . . . . . . . . 50014 2 27 3 56.434 . 71.4343326237 . . . . . . . . . . . 50014 2 28 1 8.202 . 19.2446168512 . . . . . . . . . . . 50014 2 28 2 122.114 . 24.8228477684 . . . . . . . . . . . 50014 2 28 3 55.533 . 66.2635687065 . . . . . . . . . . . 50014 2 29 1 8.191 . 16.7668622453 . . . . . . . . . . . 50014 2 29 2 121.137 . 30.1027868416 . . . . . . . . . . . 50014 2 29 3 62.032 . 62.6017344606 . . . . . . . . . . . 50014 2 30 1 8.191 . 15.2115535457 . . . . . . . . . . . 50014 2 30 2 121.132 . 28.1296562168 . . . . . . . . . . . 50014 2 30 3 55.784 . 69.5410440518 . . . . . . . . . . . 50014 2 31 1 7.878 . 16.2760261446 . . . . . . . . . . . 50014 2 31 2 121.581 . 24.9208024769 . . . . . . . . . . . 50014 2 31 3 45.500 . 34.7838326467 . . . . . . . . . . . 50014 2 32 1 7.878 . 16.0018680617 . . . . . . . . . . . 50014 2 32 2 121.590 . 24.7568506763 . . . . . . . . . . . 50014 2 32 3 60.157 . 82.9350624015 . . . . . . . . . . . 50014 2 33 1 7.987 . 16.6648533195 . . . . . . . . . . . 50014 2 33 2 121.380 . 26.4510121291 . . . . . . . . . . . 50014 2 33 3 55.569 . 68.6352150766 . . . . . . . . . . . 50014 2 34 1 7.988 . 17.8584014066 . . . . . . . . . . . 50014 2 34 2 121.365 . 27.7210751945 . . . . . . . . . . . 50014 2 34 3 45.372 . 37.2546608110 . . . . . . . . . . . 50014 2 35 1 7.991 . 18.6453689821 . . . . . . . . . . . 50014 2 35 2 121.220 . 32.3000285677 . . . . . . . . . . . 50014 2 35 3 45.334 . 37.1599551548 . . . . . . . . . . . 50014 2 36 1 7.992 . 17.6730100065 . . . . . . . . . . . 50014 2 36 2 121.234 . 26.3811947174 . . . . . . . . . . . 50014 2 36 3 57.705 . 67.7544760327 . . . . . . . . . . . 50014 2 37 1 8.047 . 16.6991958395 . . . . . . . . . . . 50014 2 37 2 121.283 . 25.2414517638 . . . . . . . . . . . 50014 2 37 3 62.481 . 69.7197361916 . . . . . . . . . . . 50014 2 38 1 8.047 . 17.3164880835 . . . . . . . . . . . 50014 2 38 2 121.294 . 25.3503523315 . . . . . . . . . . . 50014 2 38 3 56.277 . 74.4020121036 . . . . . . . . . . . 50014 2 39 1 8.075 . 17.8813934326 . . . . . . . . . . . 50014 2 39 2 121.336 . 26.9079695565 . . . . . . . . . . . 50014 2 39 3 58.580 . 172.1847775600 . . . . . . . . . . . 50014 2 40 1 8.075 . 19.2312290892 . . . . . . . . . . . 50014 2 40 2 121.328 . 28.4246363907 . . . . . . . . . . . 50014 2 40 3 58.043 . 77.0538882698 . . . . . . . . . . . 50014 2 41 1 8.279 . 16.2345531862 . . . . . . . . . . . 50014 2 41 2 120.956 . 25.2728728184 . . . . . . . . . . . 50014 2 41 3 45.701 . 34.6643904386 . . . . . . . . . . . 50014 2 42 1 8.501 . 18.0232746061 . . . . . . . . . . . 50014 2 42 2 120.929 . 24.6793926257 . . . . . . . . . . . 50014 2 42 3 55.589 . 73.4292766450 . . . . . . . . . . . 50014 2 43 1 8.501 . 18.0832284968 . . . . . . . . . . . 50014 2 43 2 120.972 . 26.0389112618 . . . . . . . . . . . 50014 2 43 3 62.993 . 64.8425715879 . . . . . . . . . . . 50014 2 44 1 8.279 . 16.9656414073 . . . . . . . . . . . 50014 2 44 2 120.966 . 26.4469557224 . . . . . . . . . . . 50014 2 44 3 57.237 . 63.5703471605 . . . . . . . . . . . 50014 2 45 1 8.279 . 16.0936906468 . . . . . . . . . . . 50014 2 45 2 121.054 . 25.7191204738 . . . . . . . . . . . 50014 2 45 3 56.570 . 60.6357675430 . . . . . . . . . . . 50014 2 46 1 8.279 . 16.5270466823 . . . . . . . . . . . 50014 2 46 2 121.039 . 25.1894696639 . . . . . . . . . . . 50014 2 46 3 54.378 . 77.9206099342 . . . . . . . . . . . 50014 2 47 1 7.957 . 16.1156640388 . . . . . . . . . . . 50014 2 47 2 120.876 . 26.2947868172 . . . . . . . . . . . 50014 2 47 3 55.835 . 77.4029092391 . . . . . . . . . . . 50014 2 48 1 7.957 . 16.7047255673 . . . . . . . . . . . 50014 2 48 2 120.880 . 25.2385757929 . . . . . . . . . . . 50014 2 48 3 56.041 . 123.6255124910 . . . . . . . . . . . 50014 2 49 1 8.072 . 17.5577588379 . . . . . . . . . . . 50014 2 49 2 120.846 . 25.2917168662 . . . . . . . . . . . 50014 2 49 3 55.596 . 71.2641215874 . . . . . . . . . . . 50014 2 50 1 8.071 . 16.9282429852 . . . . . . . . . . . 50014 2 50 2 120.836 . 24.9936031718 . . . . . . . . . . . 50014 2 50 3 62.034 . 69.9047891591 . . . . . . . . . . . 50014 2 51 1 8.088 . 19.3901360035 . . . . . . . . . . . 50014 2 51 2 120.833 . 27.3100045257 . . . . . . . . . . . 50014 2 51 3 56.246 . 66.8035322985 . . . . . . . . . . . 50014 2 52 1 8.087 . 18.9291313291 . . . . . . . . . . . 50014 2 52 2 120.834 . 25.7016500240 . . . . . . . . . . . 50014 2 52 3 45.190 . 35.4255694812 . . . . . . . . . . . 50014 2 53 1 8.290 . 18.1198993232 . . . . . . . . . . . 50014 2 53 2 109.985 . 25.3845205821 . . . . . . . . . . . 50014 2 53 3 45.505 . 34.0834348462 . . . . . . . . . . . 50014 2 54 1 8.122 . 18.1069481187 . . . . . . . . . . . 50014 2 54 2 120.634 . 25.3913456472 . . . . . . . . . . . 50014 2 54 3 57.728 . 70.5413430969 . . . . . . . . . . . 50014 2 55 1 8.120 . 40.8588675782 . . . . . . . . . . . 50014 2 55 2 120.641 . 25.2347554734 . . . . . . . . . . . 50014 2 55 3 56.137 . 65.8191353225 . . . . . . . . . . . 50014 2 56 1 8.095 . 16.0615309142 . . . . . . . . . . . 50014 2 56 2 120.510 . 25.5826620959 . . . . . . . . . . . 50014 2 56 3 54.360 . 84.6941846271 . . . . . . . . . . . 50014 2 57 1 8.096 . 16.2719516084 . . . . . . . . . . . 50014 2 57 2 120.510 . 26.2465821119 . . . . . . . . . . . 50014 2 57 3 54.147 . 94.7040070787 . . . . . . . . . . . 50014 2 58 1 7.906 . 18.0359347723 . . . . . . . . . . . 50014 2 58 2 120.186 . 25.5981579985 . . . . . . . . . . . 50014 2 58 3 45.683 . 35.8849625895 . . . . . . . . . . . 50014 2 59 1 7.905 . 17.6645698957 . . . . . . . . . . . 50014 2 59 2 120.190 . 24.7222317138 . . . . . . . . . . . 50014 2 59 3 56.611 . 71.8064410415 . . . . . . . . . . . 50014 2 60 1 7.956 . 18.3231895790 . . . . . . . . . . . 50014 2 60 2 120.251 . 28.5626829913 . . . . . . . . . . . 50014 2 60 3 56.394 . 72.7873042243 . . . . . . . . . . . 50014 2 61 1 7.957 . 17.9567723535 . . . . . . . . . . . 50014 2 61 2 120.222 . 24.9361696047 . . . . . . . . . . . 50014 2 61 3 55.754 . 68.5471058343 . . . . . . . . . . . 50014 2 62 1 7.980 . 16.7012331076 . . . . . . . . . . . 50014 2 62 2 120.218 . 25.8843814851 . . . . . . . . . . . 50014 2 62 3 62.482 . 69.9309392284 . . . . . . . . . . . 50014 2 63 1 7.979 . 16.6209065355 . . . . . . . . . . . 50014 2 63 2 120.201 . 25.4881413824 . . . . . . . . . . . 50014 2 63 3 53.213 . 78.1943611096 . . . . . . . . . . . 50014 2 64 1 8.213 . 17.2325235326 . . . . . . . . . . . 50014 2 64 2 120.370 . 26.5756446865 . . . . . . . . . . . 50014 2 64 3 58.165 . 75.7654672906 . . . . . . . . . . . 50014 2 65 1 8.213 . 17.1033025254 . . . . . . . . . . . 50014 2 65 2 120.370 . 25.8506424838 . . . . . . . . . . . 50014 2 65 3 54.356 . 79.5984549176 . . . . . . . . . . . 50014 2 66 1 8.278 . 17.4665183295 . . . . . . . . . . . 50014 2 66 2 120.315 . 24.4523626286 . . . . . . . . . . . 50014 2 66 3 56.608 . 65.1980122813 . . . . . . . . . . . 50014 2 67 1 8.278 . 18.2029907592 . . . . . . . . . . . 50014 2 67 2 120.319 . 27.9910515920 . . . . . . . . . . . 50014 2 67 3 55.576 . 63.3871788827 . . . . . . . . . . . 50014 2 68 1 8.357 . 17.0880230144 . . . . . . . . . . . 50014 2 68 2 120.236 . 24.8507919031 . . . . . . . . . . . 50014 2 68 3 56.632 . 71.8568564903 . . . . . . . . . . . 50014 2 69 1 8.357 . 17.3473381437 . . . . . . . . . . . 50014 2 69 2 120.230 . 25.4565057031 . . . . . . . . . . . 50014 2 69 3 52.477 . 67.7298572739 . . . . . . . . . . . 50014 2 70 1 8.392 . 19.9051282834 . . . . . . . . . . . 50014 2 70 2 119.859 . 26.2890348755 . . . . . . . . . . . 50014 2 70 3 56.110 . 65.5582235955 . . . . . . . . . . . 50014 2 71 1 8.392 . 20.4548996408 . . . . . . . . . . . 50014 2 71 2 119.900 . 26.0432896055 . . . . . . . . . . . 50014 2 71 3 53.212 . 79.9843451287 . . . . . . . . . . . 50014 2 72 1 8.206 . 18.6503166333 . . . . . . . . . . . 50014 2 72 2 119.654 . 27.2145394636 . . . . . . . . . . . 50014 2 72 3 56.106 . 69.9596807459 . . . . . . . . . . . 50014 2 73 1 8.206 . 18.3502561413 . . . . . . . . . . . 50014 2 73 2 119.650 . 26.5539246679 . . . . . . . . . . . 50014 2 73 3 52.486 . 64.6615824825 . . . . . . . . . . . 50014 2 74 1 8.405 . 18.9428101294 . . . . . . . . . . . 50014 2 74 2 118.710 . 25.4471480666 . . . . . . . . . . . 50014 2 74 3 54.002 . 81.9797603223 . . . . . . . . . . . 50014 2 75 1 8.404 . 17.7355832420 . . . . . . . . . . . 50014 2 75 2 118.685 . 26.3569421274 . . . . . . . . . . . 50014 2 75 3 57.281 . 73.8395500287 . . . . . . . . . . . 50014 2 76 1 8.255 . 22.8732824326 . . . . . . . . . . . 50014 2 76 2 117.198 . 27.6367491538 . . . . . . . . . . . 50014 2 76 3 53.345 . 86.5023087844 . . . . . . . . . . . 50014 2 77 1 8.257 . 19.6302426048 . . . . . . . . . . . 50014 2 77 2 117.207 . 26.5011269942 . . . . . . . . . . . 50014 2 77 3 52.731 . 165.1619526580 . . . . . . . . . . . 50014 2 78 1 8.001 . 18.9727870747 . . . . . . . . . . . 50014 2 78 2 115.880 . 26.0565534114 . . . . . . . . . . . 50014 2 78 3 58.582 . 80.6922816879 . . . . . . . . . . . 50014 2 79 1 8.001 . 19.8528869078 . . . . . . . . . . . 50014 2 79 2 115.894 . 26.0547505640 . . . . . . . . . . . 50014 2 79 3 56.357 . 65.6472751827 . . . . . . . . . . . 50014 2 80 1 7.394 . 20.4617390409 . . . . . . . . . . . 50014 2 80 2 108.099 . 25.6012056691 . . . . . . . . . . . 50014 2 80 3 45.686 . 35.3537156873 . . . . . . . . . . . 50014 2 81 1 7.392 . 19.3898449652 . . . . . . . . . . . 50014 2 81 2 108.119 . 26.8079115260 . . . . . . . . . . . 50014 2 81 3 53.832 . 79.5303705031 . . . . . . . . . . . 50014 2 82 1 8.168 . 20.3438685276 . . . . . . . . . . . 50014 2 82 2 107.528 . 26.1338182997 . . . . . . . . . . . 50014 2 82 3 45.399 . 34.5060765058 . . . . . . . . . . . 50014 2 83 1 8.170 . 19.9727946892 . . . . . . . . . . . 50014 2 83 2 107.536 . 23.9729769211 . . . . . . . . . . . 50014 2 83 3 52.906 . 54.6185423754 . . . . . . . . . . . 50014 2 84 1 8.357 . 19.4486347027 . . . . . . . . . . . 50014 2 84 2 109.301 . 26.8066237779 . . . . . . . . . . . 50014 2 84 3 55.483 . 71.3112388293 . . . . . . . . . . . 50014 2 85 1 8.356 . 19.9285568669 . . . . . . . . . . . 50014 2 85 2 109.293 . 25.8133407127 . . . . . . . . . . . 50014 2 85 3 45.315 . 34.5779302997 . . . . . . . . . . . 50014 2 86 1 8.257 . 17.9087510332 . . . . . . . . . . . 50014 2 86 2 109.417 . 25.5378484606 . . . . . . . . . . . 50014 2 86 3 58.154 . 69.4005168779 . . . . . . . . . . . 50014 2 87 1 8.265 . 15.0258711074 . . . . . . . . . . . 50014 2 87 2 109.292 . 24.9544127034 . . . . . . . . . . . 50014 2 87 3 46.004 . 126.6572714190 . . . . . . . . . . . 50014 2 88 1 8.257 . 18.1661744136 . . . . . . . . . . . 50014 2 88 2 109.405 . 25.2741176416 . . . . . . . . . . . 50014 2 88 3 45.705 . 34.5449482304 . . . . . . . . . . . 50014 2 89 1 8.218 . 21.1241422221 . . . . . . . . . . . 50014 2 89 2 109.875 . 26.1570836161 . . . . . . . . . . . 50014 2 89 3 58.064 . 73.2629527811 . . . . . . . . . . . 50014 2 90 1 8.219 . 21.1685255636 . . . . . . . . . . . 50014 2 90 2 109.875 . 26.0644515999 . . . . . . . . . . . 50014 2 90 3 45.289 . 35.4656191368 . . . . . . . . . . . 50014 2 91 1 8.284 . 21.4658211917 . . . . . . . . . . . 50014 2 91 2 109.700 . 27.0186729716 . . . . . . . . . . . 50014 2 91 3 45.182 . 35.1833868579 . . . . . . . . . . . 50014 2 92 1 8.284 . 20.0333306566 . . . . . . . . . . . 50014 2 92 2 109.652 . 24.1638211954 . . . . . . . . . . . 50014 2 92 3 56.348 . 73.5800518190 . . . . . . . . . . . 50014 2 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.143 . . 1 . 1 1 32 ALA H . . . . . . . . . . 5 . 50014 2 1 2 1 . . 124.790 . . 1 . 1 1 32 ALA N . . . . . . . . . . 6 . 50014 2 1 3 2 . . 52.683 . . 1 . 1 1 32 ALA CA . . . . . . . . . . 8 . 50014 2 2 1 1 . . 8.143 . . 1 . 1 1 32 ALA H . . . . . . . . . . 5 . 50014 2 2 2 1 . . 124.795 . . 1 . 1 1 32 ALA N . . . . . . . . . . 6 . 50014 2 2 3 1 . . 57.683 . . 1 . 1 1 31 TYR CA . . . . . . . . . . 111 . 50014 2 3 1 4 . . 8.279 . . 1 . 1 1 43 LYS H . . . . . . . . . . 194 . 50014 2 3 2 3 . . 124.656 . . 1 . 1 1 43 LYS N . . . . . . . . . . 195 . 50014 2 3 3 7 . . 62.466 . . 1 . . . . . . . . . . . . . . . . 249 . 50014 2 4 1 4 . . 8.279 . . 1 . 1 1 43 LYS H . . . . . . . . . . 194 . 50014 2 4 2 4 . . 124.660 . . 1 . 1 1 43 LYS N . . . . . . . . . . 195 . 50014 2 4 3 5 . . 56.385 . . 1 . 1 1 43 LYS CA . . . . . . . . . . 199 . 50014 2 5 1 1 . . 8.225 . . 1 . 1 1 45 ALA H . . . . . . . . . . 11 . 50014 2 5 2 1 . . 124.441 . . 1 . 1 1 45 ALA N . . . . . . . . . . 12 . 50014 2 5 3 1 . . 56.657 . . 1 . 1 1 44 GLU CA . . . . . . . . . . 34 . 50014 2 6 1 1 . . 8.225 . . 1 . 1 1 45 ALA H . . . . . . . . . . 11 . 50014 2 6 2 1 . . 124.433 . . 1 . 1 1 45 ALA N . . . . . . . . . . 12 . 50014 2 6 3 2 . . 52.589 . . 1 . 1 1 45 ALA CA . . . . . . . . . . 13 . 50014 2 7 1 1 . . 8.258 . . 1 . 1 1 5 ASP H . . . . . . . . . . 15 . 50014 2 7 2 1 . . 123.630 . . 1 . 1 1 5 ASP N . . . . . . . . . . 16 . 50014 2 7 3 2 . . 54.080 . . 1 . 1 1 5 ASP CA . . . . . . . . . . 18 . 50014 2 8 1 1 . . 8.257 . . 1 . 1 1 5 ASP H . . . . . . . . . . 15 . 50014 2 8 2 1 . . 123.605 . . 1 . 1 1 5 ASP N . . . . . . . . . . 16 . 50014 2 8 3 1 . . 62.003 . . 1 . 1 1 4 VAL CA . . . . . . . . . . 103 . 50014 2 9 1 1 . . 8.135 . . 1 . 1 1 35 ALA H . . . . . . . . . . 20 . 50014 2 9 2 1 . . 123.623 . . 1 . 1 1 35 ALA N . . . . . . . . . . 21 . 50014 2 9 3 2 . . 52.953 . . 1 . 1 1 35 ALA CA . . . . . . . . . . 22 . 50014 2 10 1 1 . . 8.136 . . 1 . 1 1 35 ALA H . . . . . . . . . . 20 . 50014 2 10 2 1 . . 123.632 . . 1 . 1 1 35 ALA N . . . . . . . . . . 21 . 50014 2 10 3 1 . . 55.436 . . 1 . 1 1 34 LEU CA . . . . . . . . . . 41 . 50014 2 11 1 1 . . 7.998 . . 1 . 1 1 39 ALA H . . . . . . . . . . 24 . 50014 2 11 2 1 . . 123.559 . . 1 . 1 1 39 ALA N . . . . . . . . . . 25 . 50014 2 11 3 1 . . 52.449 . . 1 . 1 1 39 ALA CA . . . . . . . . . . 145 . 50014 2 12 1 1 . . 7.998 . . 1 . 1 1 39 ALA H . . . . . . . . . . 24 . 50014 2 12 2 1 . . 123.561 . . 1 . 1 1 39 ALA N . . . . . . . . . . 25 . 50014 2 12 3 2 . . 45.311 . . 1 . 1 1 38 GLY CA . . . . . . . . . . 26 . 50014 2 13 1 1 . . 8.285 . . 1 . 1 1 27 GLU H . . . . . . . . . . 27 . 50014 2 13 2 1 . . 122.824 . . 1 . 1 1 27 GLU N . . . . . . . . . . 28 . 50014 2 13 3 1 . . 56.498 . . 1 . 1 1 43 LYS CA . . . . . . . . . . 199 . 50014 2 14 1 1 . . 8.285 . . 1 . 1 1 27 GLU H . . . . . . . . . . 27 . 50014 2 14 2 1 . . 122.850 . . 1 . 1 1 27 GLU N . . . . . . . . . . 28 . 50014 2 14 3 2 . . 56.334 . . 1 . 1 1 27 GLU CA . . . . . . . . . . 30 . 50014 2 15 1 1 . . 8.359 . . 1 . 1 1 44 GLU H . . . . . . . . . . 31 . 50014 2 15 2 1 . . 122.438 . . 1 . 1 1 44 GLU N . . . . . . . . . . 32 . 50014 2 15 3 1 . . 56.529 . . 1 . 1 1 43 LYS CA . . . . . . . . . . 199 . 50014 2 16 1 1 . . 8.359 . . 1 . 1 1 44 GLU H . . . . . . . . . . 31 . 50014 2 16 2 1 . . 122.450 . . 1 . 1 1 44 GLU N . . . . . . . . . . 32 . 50014 2 16 3 2 . . 56.632 . . 1 . 1 1 44 GLU CA . . . . . . . . . . 34 . 50014 2 17 1 1 . . 8.165 . . 1 . 1 1 28 VAL H . . . . . . . . . . 35 . 50014 2 17 2 1 . . 122.333 . . 1 . 1 1 28 VAL N . . . . . . . . . . 36 . 50014 2 17 3 1 . . 62.519 . . 1 . 1 1 28 VAL CA . . . . . . . . . . 37 . 50014 2 18 1 1 . . 8.166 . . 1 . 1 1 28 VAL H . . . . . . . . . . 35 . 50014 2 18 2 1 . . 122.350 . . 1 . 1 1 28 VAL N . . . . . . . . . . 36 . 50014 2 18 3 1 . . 56.440 . . 1 . 1 1 27 GLU CA . . . . . . . . . . 30 . 50014 2 19 1 1 . . 8.095 . . 1 . 1 1 34 LEU H . . . . . . . . . . 39 . 50014 2 19 2 1 . . 122.482 . . 1 . 1 1 34 LEU N . . . . . . . . . . 40 . 50014 2 19 3 2 . . 55.428 . . 1 . 1 1 34 LEU CA . . . . . . . . . . 41 . 50014 2 20 1 1 . . 8.095 . . 1 . 1 1 34 LEU H . . . . . . . . . . 39 . 50014 2 20 2 1 . . 122.460 . . 1 . 1 1 34 LEU N . . . . . . . . . . 40 . 50014 2 20 3 1 . . 53.288 . . 1 . 1 1 33 ASN CA . . . . . . . . . . 153 . 50014 2 21 1 1 . . 8.065 . . 1 . 1 1 18 ASP H . . . . . . . . . . 43 . 50014 2 21 2 1 . . 122.256 . . 1 . 1 1 18 ASP N . . . . . . . . . . 44 . 50014 2 21 3 2 . . 57.656 . . 1 . 1 1 17 TRP CA . . . . . . . . . . 74 . 50014 2 22 1 1 . . 8.065 . . 1 . 1 1 18 ASP H . . . . . . . . . . 43 . 50014 2 22 2 1 . . 122.250 . . 1 . 1 1 18 ASP N . . . . . . . . . . 44 . 50014 2 22 3 1 . . 53.874 . . 1 . 1 1 18 ASP CA . . . . . . . . . . 161 . 50014 2 23 1 1 . . 8.018 . . 1 . 1 1 11 LEU H . . . . . . . . . . 47 . 50014 2 23 2 1 . . 122.104 . . 1 . 1 1 11 LEU N . . . . . . . . . . 48 . 50014 2 23 3 1 . . 53.998 . . 1 . 1 1 10 ASN CA . . . . . . . . . . 149 . 50014 2 24 1 1 . . 8.018 . . 1 . 1 1 11 LEU H . . . . . . . . . . 47 . 50014 2 24 2 1 . . 122.108 . . 1 . 1 1 11 LEU N . . . . . . . . . . 48 . 50014 2 24 3 2 . . 56.045 . . 1 . 1 1 11 LEU CA . . . . . . . . . . 50 . 50014 2 25 1 1 . . 8.162 . . 1 . 1 1 30 ARG H . . . . . . . . . . 51 . 50014 2 25 2 1 . . 122.170 . . 1 . 1 1 30 ARG N . . . . . . . . . . 52 . 50014 2 25 3 3 . . 56.136 . . 1 . 1 1 30 ARG CA . . . . . . . . . . 56 . 50014 2 26 1 1 . . 8.163 . . 1 . 1 1 30 ARG H . . . . . . . . . . 51 . 50014 2 26 2 1 . . 122.239 . . 1 . 1 1 30 ARG N . . . . . . . . . . 52 . 50014 2 26 3 2 . . 56.430 . . 1 . 1 1 29 LYS CA . . . . . . . . . . 3 . 50014 2 27 1 1 . . 8.202 . . 1 . 1 1 22 ARG H . . . . . . . . . . 57 . 50014 2 27 2 1 . . 122.107 . . 1 . 1 1 22 ARG N . . . . . . . . . . 58 . 50014 2 27 3 1 . . 56.434 . . 1 . 1 1 22 ARG CA . . . . . . . . . . 188 . 50014 2 28 1 1 . . 8.202 . . 1 . 1 1 22 ARG H . . . . . . . . . . 57 . 50014 2 28 2 1 . . 122.114 . . 1 . 1 1 22 ARG N . . . . . . . . . . 58 . 50014 2 28 3 2 . . 55.533 . . 1 . 1 1 21 MET CA . . . . . . . . . . 60 . 50014 2 29 1 1 . . 8.191 . . 1 . . . . . . . . . . . . . . . . 61 . 50014 2 29 2 1 . . 121.137 . . 1 . . . . . . . . . . . . . . . . 62 . 50014 2 29 3 1 . . 62.032 . . 1 . . . . . . . . . . . . . . . . 63 . 50014 2 30 1 1 . . 8.191 . . 1 . . . . . . . . . . . . . . . . 61 . 50014 2 30 2 1 . . 121.132 . . 1 . . . . . . . . . . . . . . . . 62 . 50014 2 30 3 1 . . 55.784 . . 1 . . . . . . . . . . . . . . . . 64 . 50014 2 31 1 1 . . 7.878 . . 1 . . . . . . . . . . . . . . . . 66 . 50014 2 31 2 1 . . 121.581 . . 1 . . . . . . . . . . . . . . . . 67 . 50014 2 31 3 1 . . 45.500 . . 1 . . . . . . . . . . . . . . . . 68 . 50014 2 32 1 1 . . 7.878 . . 1 . . . . . . . . . . . . . . . . 66 . 50014 2 32 2 1 . . 121.590 . . 1 . . . . . . . . . . . . . . . . 67 . 50014 2 32 3 1 . . 60.157 . . 1 . . . . . . . . . . . . . . . . 69 . 50014 2 33 1 1 . . 7.987 . . 1 . 1 1 37 LEU H . . . . . . . . . . 70 . 50014 2 33 2 1 . . 121.380 . . 1 . 1 1 37 LEU N . . . . . . . . . . 71 . 50014 2 33 3 1 . . 55.569 . . 1 . 1 1 37 LEU CA . . . . . . . . . . 185 . 50014 2 34 1 1 . . 7.988 . . 1 . 1 1 37 LEU H . . . . . . . . . . 70 . 50014 2 34 2 1 . . 121.365 . . 1 . 1 1 37 LEU N . . . . . . . . . . 71 . 50014 2 34 3 1 . . 45.372 . . 1 . 1 1 36 GLY CA . . . . . . . . . . 165 . 50014 2 35 1 1 . . 7.991 . . 1 . 1 1 17 TRP H . . . . . . . . . . 72 . 50014 2 35 2 1 . . 121.220 . . 1 . 1 1 17 TRP N . . . . . . . . . . 73 . 50014 2 35 3 2 . . 45.334 . . 1 . 1 1 16 GLY CA . . . . . . . . . . 75 . 50014 2 36 1 1 . . 7.992 . . 1 . 1 1 17 TRP H . . . . . . . . . . 72 . 50014 2 36 2 1 . . 121.234 . . 1 . 1 1 17 TRP N . . . . . . . . . . 73 . 50014 2 36 3 1 . . 57.705 . . 1 . 1 1 17 TRP CA . . . . . . . . . . 74 . 50014 2 37 1 1 . . 8.047 . . 1 . 1 1 25 VAL H . . . . . . . . . . 76 . 50014 2 37 2 1 . . 121.283 . . 1 . 1 1 25 VAL N . . . . . . . . . . 77 . 50014 2 37 3 2 . . 62.481 . . 1 . 1 1 25 VAL CA . . . . . . . . . . 251 . 50014 2 38 1 1 . . 8.047 . . 1 . 1 1 25 VAL H . . . . . . . . . . 76 . 50014 2 38 2 1 . . 121.294 . . 1 . 1 1 25 VAL N . . . . . . . . . . 77 . 50014 2 38 3 1 . . 56.277 . . 1 . 1 1 24 LYS CA . . . . . . . . . . 78 . 50014 2 39 1 1 . . 8.075 . . 1 . 1 1 15 PHE H . . . . . . . . . . 80 . 50014 2 39 2 1 . . 121.336 . . 1 . 1 1 15 PHE N . . . . . . . . . . 81 . 50014 2 39 3 1 . . 58.580 . . 1 . 1 1 14 SER CA . . . . . . . . . . 157 . 50014 2 40 1 1 . . 8.075 . . 1 . 1 1 15 PHE H . . . . . . . . . . 80 . 50014 2 40 2 1 . . 121.328 . . 1 . 1 1 15 PHE N . . . . . . . . . . 81 . 50014 2 40 3 1 . . 58.043 . . 1 . 1 1 15 PHE CA . . . . . . . . . . 180 . 50014 2 41 1 1 . . 8.279 . . 1 . 1 1 9 GLU H . . . . . . . . . . 83 . 50014 2 41 2 1 . . 120.956 . . 1 . 1 1 9 GLU N . . . . . . . . . . 84 . 50014 2 41 3 1 . . 45.701 . . 1 . 1 1 8 GLY CA . . . . . . . . . . 175 . 50014 2 42 1 1 . . 8.501 . . 1 . 1 1 3 MET H . . . . . . . . . . 90 . 50014 2 42 2 1 . . 120.929 . . 1 . 1 1 3 MET N . . . . . . . . . . 91 . 50014 2 42 3 2 . . 55.589 . . 1 . 1 1 3 MET CA . . . . . . . . . . 104 . 50014 2 43 1 1 . . 8.501 . . 1 . 1 1 3 MET H . . . . . . . . . . 90 . 50014 2 43 2 1 . . 120.972 . . 1 . 1 1 3 MET N . . . . . . . . . . 91 . 50014 2 43 3 1 . . 62.993 . . 1 . 1 1 2 PRO CA . . . . . . . . . . 92 . 50014 2 44 1 1 . . 8.279 . . 1 . 1 1 9 GLU H . . . . . . . . . . 83 . 50014 2 44 2 1 . . 120.966 . . 1 . 1 1 9 GLU N . . . . . . . . . . 84 . 50014 2 44 3 3 . . 57.237 . . 1 . 1 1 9 GLU CA . . . . . . . . . . 189 . 50014 2 45 1 1 . . 8.279 . . 1 . 1 1 47 ASP H . . . . . . . . . . 85 . 50014 2 45 2 1 . . 121.054 . . 1 . 1 1 47 ASP N . . . . . . . . . . 86 . 50014 2 45 3 2 . . 56.570 . . 1 . 1 1 46 GLU CA . . . . . . . . . . 87 . 50014 2 46 1 1 . . 8.279 . . 1 . 1 1 47 ASP H . . . . . . . . . . 85 . 50014 2 46 2 1 . . 121.039 . . 1 . 1 1 47 ASP N . . . . . . . . . . 86 . 50014 2 46 3 1 . . 54.378 . . 1 . 1 1 47 ASP CA . . . . . . . . . . 96 . 50014 2 47 1 1 . . 7.957 . . 1 . 1 1 12 LEU H . . . . . . . . . . 97 . 50014 2 47 2 1 . . 120.876 . . 1 . 1 1 12 LEU N . . . . . . . . . . 98 . 50014 2 47 3 2 . . 55.835 . . 1 . 1 1 12 LEU CA . . . . . . . . . . 99 . 50014 2 48 1 1 . . 7.957 . . 1 . 1 1 12 LEU H . . . . . . . . . . 97 . 50014 2 48 2 1 . . 120.880 . . 1 . 1 1 12 LEU N . . . . . . . . . . 98 . 50014 2 48 3 1 . . 56.041 . . 1 . 1 1 11 LEU CA . . . . . . . . . . 50 . 50014 2 49 1 1 . . 8.072 . . 1 . 1 1 4 VAL H . . . . . . . . . . 101 . 50014 2 49 2 1 . . 120.846 . . 1 . 1 1 4 VAL N . . . . . . . . . . 102 . 50014 2 49 3 1 . . 55.596 . . 1 . 1 1 3 MET CA . . . . . . . . . . 104 . 50014 2 50 1 1 . . 8.071 . . 1 . 1 1 4 VAL H . . . . . . . . . . 101 . 50014 2 50 2 1 . . 120.836 . . 1 . 1 1 4 VAL N . . . . . . . . . . 102 . 50014 2 50 3 2 . . 62.034 . . 1 . 1 1 4 VAL CA . . . . . . . . . . 103 . 50014 2 51 1 1 . . 8.088 . . 1 . 1 1 24 LYS H . . . . . . . . . . 106 . 50014 2 51 2 1 . . 120.833 . . 1 . 1 1 24 LYS N . . . . . . . . . . 107 . 50014 2 51 3 1 . . 56.246 . . 1 . 1 1 24 LYS CA . . . . . . . . . . 78 . 50014 2 52 1 1 . . 8.087 . . 1 . 1 1 24 LYS H . . . . . . . . . . 106 . 50014 2 52 2 1 . . 120.834 . . 1 . 1 1 24 LYS N . . . . . . . . . . 107 . 50014 2 52 3 2 . . 45.190 . . 1 . 1 1 23 GLY CA . . . . . . . . . . 108 . 50014 2 53 1 1 . . 8.290 . . 1 . . . . . . . . . . . . . . . . 171 . 50014 2 53 2 1 . . 109.985 . . 1 . . . . . . . . . . . . . . . . 172 . 50014 2 53 3 1 . . 45.505 . . 1 . . . . . . . . . . . . . . . . 177 . 50014 2 54 1 1 . . 8.122 . . 1 . 1 1 31 TYR H . . . . . . . . . . 109 . 50014 2 54 2 1 . . 120.634 . . 1 . 1 1 31 TYR N . . . . . . . . . . 110 . 50014 2 54 3 2 . . 57.728 . . 1 . 1 1 31 TYR CA . . . . . . . . . . 111 . 50014 2 55 1 1 . . 8.120 . . 1 . 1 1 31 TYR H . . . . . . . . . . 109 . 50014 2 55 2 1 . . 120.641 . . 1 . 1 1 31 TYR N . . . . . . . . . . 110 . 50014 2 55 3 1 . . 56.137 . . 1 . 1 1 30 ARG CA . . . . . . . . . . 56 . 50014 2 56 1 1 . . 8.095 . . 1 . 1 1 6 ASP H . . . . . . . . . . 113 . 50014 2 56 2 1 . . 120.510 . . 1 . 1 1 6 ASP N . . . . . . . . . . 114 . 50014 2 56 3 2 . . 54.360 . . 1 . 1 1 6 ASP CA . . . . . . . . . . 116 . 50014 2 57 1 1 . . 8.096 . . 1 . 1 1 6 ASP H . . . . . . . . . . 113 . 50014 2 57 2 1 . . 120.510 . . 1 . 1 1 6 ASP N . . . . . . . . . . 114 . 50014 2 57 3 1 . . 54.147 . . 1 . 1 1 5 ASP CA . . . . . . . . . . 18 . 50014 2 58 1 1 . . 7.906 . . 1 . 1 1 20 LYS H . . . . . . . . . . 117 . 50014 2 58 2 1 . . 120.186 . . 1 . 1 1 20 LYS N . . . . . . . . . . 118 . 50014 2 58 3 2 . . 45.683 . . 1 . 1 1 19 GLY CA . . . . . . . . . . 119 . 50014 2 59 1 1 . . 7.905 . . 1 . 1 1 20 LYS H . . . . . . . . . . 117 . 50014 2 59 2 1 . . 120.190 . . 1 . 1 1 20 LYS N . . . . . . . . . . 118 . 50014 2 59 3 1 . . 56.611 . . 1 . 1 1 20 LYS CA . . . . . . . . . . 133 . 50014 2 60 1 1 . . 7.956 . . 1 . 1 1 13 ARG H . . . . . . . . . . 120 . 50014 2 60 2 1 . . 120.251 . . 1 . 1 1 13 ARG N . . . . . . . . . . 121 . 50014 2 60 3 2 . . 56.394 . . 1 . 1 1 13 ARG CA . . . . . . . . . . 122 . 50014 2 61 1 1 . . 7.957 . . 1 . 1 1 13 ARG H . . . . . . . . . . 120 . 50014 2 61 2 1 . . 120.222 . . 1 . 1 1 13 ARG N . . . . . . . . . . 121 . 50014 2 61 3 1 . . 55.754 . . 1 . 1 1 12 LEU CA . . . . . . . . . . 99 . 50014 2 62 1 3 . . 7.980 . . 1 . 1 1 42 VAL H . . . . . . . . . . 200 . 50014 2 62 2 3 . . 120.218 . . 1 . 1 1 42 VAL N . . . . . . . . . . 201 . 50014 2 62 3 2 . . 62.482 . . 1 . 1 1 42 VAL CA . . . . . . . . . . 205 . 50014 2 63 1 2 . . 7.979 . . 1 . 1 1 42 VAL H . . . . . . . . . . 200 . 50014 2 63 2 2 . . 120.201 . . 1 . 1 1 42 VAL N . . . . . . . . . . 201 . 50014 2 63 3 1 . . 53.213 . . 1 . 1 1 41 ASN CA . . . . . . . . . . 141 . 50014 2 64 1 1 . . 8.213 . . 1 . 1 1 7 PHE H . . . . . . . . . . 127 . 50014 2 64 2 1 . . 120.370 . . 1 . 1 1 7 PHE N . . . . . . . . . . 128 . 50014 2 64 3 2 . . 58.165 . . 1 . 1 1 7 PHE CA . . . . . . . . . . 129 . 50014 2 65 1 1 . . 8.213 . . 1 . 1 1 7 PHE H . . . . . . . . . . 127 . 50014 2 65 2 1 . . 120.370 . . 1 . 1 1 7 PHE N . . . . . . . . . . 128 . 50014 2 65 3 1 . . 54.356 . . 1 . 1 1 6 ASP CA . . . . . . . . . . 116 . 50014 2 66 1 1 . . 8.278 . . 1 . 1 1 21 MET H . . . . . . . . . . 131 . 50014 2 66 2 1 . . 120.315 . . 1 . 1 1 21 MET N . . . . . . . . . . 132 . 50014 2 66 3 1 . . 56.608 . . 1 . 1 1 20 LYS CA . . . . . . . . . . 133 . 50014 2 67 1 1 . . 8.278 . . 1 . 1 1 21 MET H . . . . . . . . . . 131 . 50014 2 67 2 1 . . 120.319 . . 1 . 1 1 21 MET N . . . . . . . . . . 132 . 50014 2 67 3 1 . . 55.576 . . 1 . 1 1 21 MET CA . . . . . . . . . . 60 . 50014 2 68 1 1 . . 8.357 . . 1 . 1 1 46 GLU H . . . . . . . . . . 135 . 50014 2 68 2 1 . . 120.236 . . 1 . 1 1 46 GLU N . . . . . . . . . . 136 . 50014 2 68 3 1 . . 56.632 . . 1 . 1 1 46 GLU CA . . . . . . . . . . 87 . 50014 2 69 1 1 . . 8.357 . . 1 . 1 1 46 GLU H . . . . . . . . . . 135 . 50014 2 69 2 1 . . 120.230 . . 1 . 1 1 46 GLU N . . . . . . . . . . 136 . 50014 2 69 3 1 . . 52.477 . . 1 . 1 1 45 ALA CA . . . . . . . . . . 13 . 50014 2 70 1 1 . . 8.392 . . 1 . 1 1 41 ASN H . . . . . . . . . . 138 . 50014 2 70 2 1 . . 119.859 . . 1 . 1 1 41 ASN N . . . . . . . . . . 139 . 50014 2 70 3 1 . . 56.110 . . 1 . 1 1 40 ARG CA . . . . . . . . . . 140 . 50014 2 71 1 1 . . 8.392 . . 1 . 1 1 41 ASN H . . . . . . . . . . 138 . 50014 2 71 2 1 . . 119.900 . . 1 . 1 1 41 ASN N . . . . . . . . . . 139 . 50014 2 71 3 2 . . 53.212 . . 1 . 1 1 41 ASN CA . . . . . . . . . . 141 . 50014 2 72 1 1 . . 8.206 . . 1 . 1 1 40 ARG H . . . . . . . . . . 143 . 50014 2 72 2 1 . . 119.654 . . 1 . 1 1 40 ARG N . . . . . . . . . . 144 . 50014 2 72 3 1 . . 56.106 . . 1 . 1 1 40 ARG CA . . . . . . . . . . 140 . 50014 2 73 1 1 . . 8.206 . . 1 . 1 1 40 ARG H . . . . . . . . . . 143 . 50014 2 73 2 1 . . 119.650 . . 1 . 1 1 40 ARG N . . . . . . . . . . 144 . 50014 2 73 3 1 . . 52.486 . . 1 . 1 1 39 ALA CA . . . . . . . . . . 145 . 50014 2 74 1 1 . . 8.405 . . 1 . 1 1 10 ASN H . . . . . . . . . . 147 . 50014 2 74 2 1 . . 118.710 . . 1 . 1 1 10 ASN N . . . . . . . . . . 148 . 50014 2 74 3 2 . . 54.002 . . 1 . 1 1 10 ASN CA . . . . . . . . . . 149 . 50014 2 75 1 1 . . 8.404 . . 1 . 1 1 10 ASN H . . . . . . . . . . 147 . 50014 2 75 2 1 . . 118.685 . . 1 . 1 1 10 ASN N . . . . . . . . . . 148 . 50014 2 75 3 1 . . 57.281 . . 1 . 1 1 9 GLU CA . . . . . . . . . . 189 . 50014 2 76 1 1 . . 8.255 . . 1 . 1 1 33 ASN H . . . . . . . . . . 151 . 50014 2 76 2 1 . . 117.198 . . 1 . 1 1 33 ASN N . . . . . . . . . . 152 . 50014 2 76 3 2 . . 53.345 . . 1 . 1 1 33 ASN CA . . . . . . . . . . 153 . 50014 2 77 1 1 . . 8.257 . . 1 . 1 1 33 ASN H . . . . . . . . . . 151 . 50014 2 77 2 1 . . 117.207 . . 1 . 1 1 33 ASN N . . . . . . . . . . 152 . 50014 2 77 3 1 . . 52.731 . . 1 . 1 1 32 ALA CA . . . . . . . . . . 8 . 50014 2 78 1 1 . . 8.001 . . 1 . 1 1 14 SER H . . . . . . . . . . 155 . 50014 2 78 2 1 . . 115.880 . . 1 . 1 1 14 SER N . . . . . . . . . . 156 . 50014 2 78 3 2 . . 58.582 . . 1 . 1 1 14 SER CA . . . . . . . . . . 157 . 50014 2 79 1 1 . . 8.001 . . 1 . 1 1 14 SER H . . . . . . . . . . 155 . 50014 2 79 2 1 . . 115.894 . . 1 . 1 1 14 SER N . . . . . . . . . . 156 . 50014 2 79 3 1 . . 56.357 . . 1 . 1 1 13 ARG CA . . . . . . . . . . 122 . 50014 2 80 1 1 . . 7.394 . . 1 . 1 1 19 GLY H . . . . . . . . . . 159 . 50014 2 80 2 1 . . 108.099 . . 1 . 1 1 19 GLY N . . . . . . . . . . 160 . 50014 2 80 3 1 . . 45.686 . . 1 . 1 1 19 GLY CA . . . . . . . . . . 119 . 50014 2 81 1 1 . . 7.392 . . 1 . 1 1 19 GLY H . . . . . . . . . . 159 . 50014 2 81 2 1 . . 108.119 . . 1 . 1 1 19 GLY N . . . . . . . . . . 160 . 50014 2 81 3 2 . . 53.832 . . 1 . 1 1 18 ASP CA . . . . . . . . . . 161 . 50014 2 82 1 1 . . 8.168 . . 1 . 1 1 36 GLY H . . . . . . . . . . 163 . 50014 2 82 2 1 . . 107.528 . . 1 . 1 1 36 GLY N . . . . . . . . . . 164 . 50014 2 82 3 2 . . 45.399 . . 1 . 1 1 36 GLY CA . . . . . . . . . . 165 . 50014 2 83 1 1 . . 8.170 . . 1 . 1 1 36 GLY H . . . . . . . . . . 163 . 50014 2 83 2 1 . . 107.536 . . 1 . 1 1 36 GLY N . . . . . . . . . . 164 . 50014 2 83 3 1 . . 52.906 . . 1 . 1 1 35 ALA CA . . . . . . . . . . 22 . 50014 2 84 1 1 . . 8.357 . . 1 . 1 1 38 GLY H . . . . . . . . . . 167 . 50014 2 84 2 1 . . 109.301 . . 1 . 1 1 38 GLY N . . . . . . . . . . 168 . 50014 2 84 3 2 . . 55.483 . . 1 . 1 1 37 LEU CA . . . . . . . . . . 185 . 50014 2 85 1 1 . . 8.356 . . 1 . 1 1 38 GLY H . . . . . . . . . . 167 . 50014 2 85 2 1 . . 109.293 . . 1 . 1 1 38 GLY N . . . . . . . . . . 168 . 50014 2 85 3 1 . . 45.315 . . 1 . 1 1 38 GLY CA . . . . . . . . . . 26 . 50014 2 86 1 1 . . 8.257 . . 1 . 1 1 8 GLY H . . . . . . . . . . 169 . 50014 2 86 2 1 . . 109.417 . . 1 . 1 1 8 GLY N . . . . . . . . . . 170 . 50014 2 86 3 1 . . 58.154 . . 1 . 1 1 15 PHE CA . . . . . . . . . . 180 . 50014 2 87 1 1 . . 8.265 . . 1 . 1 1 8 GLY H . . . . . . . . . . 169 . 50014 2 87 2 1 . . 109.292 . . 1 . 1 1 8 GLY N . . . . . . . . . . 170 . 50014 2 88 1 1 . . 8.257 . . 1 . 1 1 8 GLY H . . . . . . . . . . 169 . 50014 2 88 2 1 . . 109.405 . . 1 . 1 1 8 GLY N . . . . . . . . . . 170 . 50014 2 88 3 2 . . 45.705 . . 1 . 1 1 8 GLY CA . . . . . . . . . . 175 . 50014 2 89 1 1 . . 8.218 . . 1 . 1 1 16 GLY H . . . . . . . . . . 173 . 50014 2 89 2 1 . . 109.875 . . 1 . 1 1 16 GLY N . . . . . . . . . . 174 . 50014 2 89 3 1 . . 58.064 . . 1 . 1 1 15 PHE CA . . . . . . . . . . 180 . 50014 2 90 1 1 . . 8.219 . . 1 . 1 1 16 GLY H . . . . . . . . . . 173 . 50014 2 90 2 1 . . 109.875 . . 1 . 1 1 16 GLY N . . . . . . . . . . 174 . 50014 2 90 3 1 . . 45.289 . . 1 . 1 1 16 GLY CA . . . . . . . . . . 75 . 50014 2 91 1 1 . . 8.284 . . 1 . 1 1 23 GLY H . . . . . . . . . . 181 . 50014 2 91 2 1 . . 109.700 . . 1 . 1 1 23 GLY N . . . . . . . . . . 182 . 50014 2 91 3 1 . . 45.182 . . 1 . 1 1 23 GLY CA . . . . . . . . . . 108 . 50014 2 92 1 1 . . 8.284 . . 1 . 1 1 23 GLY H . . . . . . . . . . 181 . 50014 2 92 2 1 . . 109.652 . . 1 . 1 1 23 GLY N . . . . . . . . . . 182 . 50014 2 92 3 1 . . 56.348 . . 1 . 1 1 22 ARG CA . . . . . . . . . . 188 . 50014 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 50014 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name . _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions . _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 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . folded 9765.62500000 Hz . . . . . . 50014 3 2 . . N 15 15N . folded 1440.32191306 Hz . . . . . . 50014 3 3 . . C 13 13C . folded 9154.83955575 Hz . . . . . . 50014 3 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 50014 3 2 1.0 . . 50014 3 3 1.0 . . 50014 3 4 1.0 . . 50014 3 5 1.0 . . 50014 3 6 1.0 . . 50014 3 7 1.0 . . 50014 3 8 1.0 . . 50014 3 9 1.0 . . 50014 3 10 1.0 . . 50014 3 11 1.0 . . 50014 3 12 1.0 . . 50014 3 13 1.0 . . 50014 3 14 1.0 . . 50014 3 15 1.0 . . 50014 3 16 1.0 . . 50014 3 17 1.0 . . 50014 3 18 1.0 . . 50014 3 19 1.0 . . 50014 3 20 1.0 . . 50014 3 21 1.0 . . 50014 3 22 1.0 . . 50014 3 23 1.0 . . 50014 3 24 1.0 . . 50014 3 25 1.0 . . 50014 3 26 1.0 . . 50014 3 27 1.0 . . 50014 3 28 1.0 . . 50014 3 29 1.0 . . 50014 3 30 1.0 . . 50014 3 31 1.0 . . 50014 3 32 1.0 . . 50014 3 33 1.0 . . 50014 3 34 1.0 . . 50014 3 35 1.0 . . 50014 3 36 1.0 . . 50014 3 37 1.0 . . 50014 3 38 1.0 . . 50014 3 39 1.0 . . 50014 3 40 1.0 . . 50014 3 41 1.0 . . 50014 3 42 1.0 . . 50014 3 43 1.0 . . 50014 3 44 1.0 . . 50014 3 45 1.0 . . 50014 3 46 1.0 . . 50014 3 47 1.0 . . 50014 3 48 1.0 . . 50014 3 49 1.0 . . 50014 3 50 1.0 . . 50014 3 51 1.0 . . 50014 3 52 1.0 . . 50014 3 53 1.0 . . 50014 3 54 1.0 . . 50014 3 55 1.0 . . 50014 3 56 1.0 . . 50014 3 57 1.0 . . 50014 3 58 1.0 . . 50014 3 59 1.0 . . 50014 3 60 1.0 . . 50014 3 61 1.0 . . 50014 3 62 1.0 . . 50014 3 63 1.0 . . 50014 3 64 1.0 . . 50014 3 65 1.0 . . 50014 3 66 1.0 . . 50014 3 67 1.0 . . 50014 3 68 1.0 . . 50014 3 69 1.0 . . 50014 3 70 1.0 . . 50014 3 71 1.0 . . 50014 3 72 1.0 . . 50014 3 73 1.0 . . 50014 3 74 1.0 . . 50014 3 75 1.0 . . 50014 3 76 1.0 . . 50014 3 77 1.0 . . 50014 3 78 1.0 . . 50014 3 79 1.0 . . 50014 3 80 1.0 . . 50014 3 81 1.0 . . 50014 3 82 1.0 . . 50014 3 83 1.0 . . 50014 3 84 1.0 . . 50014 3 85 1.0 . . 50014 3 86 1.0 . . 50014 3 87 1.0 . . 50014 3 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 5744892.0000 . height 50014 3 1 125231052.7500 . volume 50014 3 2 2807263.5000 . height 50014 3 2 60562245.0000 . volume 50014 3 3 2935330.0000 . height 50014 3 3 62870464.6250 . volume 50014 3 4 3970698.5000 . height 50014 3 4 85514643.7500 . volume 50014 3 5 4855773.5000 . height 50014 3 5 105271050.2500 . volume 50014 3 6 2190116.2500 . height 50014 3 6 47313478.7500 . volume 50014 3 7 6053665.5000 . height 50014 3 7 127808399.7500 . volume 50014 3 8 5177047.5000 . height 50014 3 8 109279865.7500 . volume 50014 3 9 5430636.0000 . height 50014 3 9 115697609.0000 . volume 50014 3 10 2468556.5000 . height 50014 3 10 52328890.3750 . volume 50014 3 11 4987976.5000 . height 50014 3 11 105579263.2500 . volume 50014 3 12 4813037.0000 . height 50014 3 12 102083513.7500 . volume 50014 3 13 12720100.0000 . height 50014 3 13 270478672.0000 . volume 50014 3 14 3488827.0000 . height 50014 3 14 74422911.8750 . volume 50014 3 15 3325004.5000 . height 50014 3 15 70510516.2500 . volume 50014 3 16 5769204.5000 . height 50014 3 16 122311157.7500 . volume 50014 3 17 5259079.5000 . height 50014 3 17 111757803.5000 . volume 50014 3 18 4003904.0000 . height 50014 3 18 84471379.0000 . volume 50014 3 19 5584558.0000 . height 50014 3 19 122049552.2500 . volume 50014 3 20 8610548.0000 . height 50014 3 20 184123024.5000 . volume 50014 3 21 3753399.7500 . height 50014 3 21 79700251.2500 . volume 50014 3 22 4525276.0000 . height 50014 3 22 96473424.2500 . volume 50014 3 23 4396752.0000 . height 50014 3 23 97644049.0000 . volume 50014 3 24 4430644.0000 . height 50014 3 24 94109528.0000 . volume 50014 3 25 9740731.0000 . height 50014 3 25 205666553.0000 . volume 50014 3 26 2783470.7500 . height 50014 3 26 58705825.7500 . volume 50014 3 27 4664903.0000 . height 50014 3 27 104289538.1250 . volume 50014 3 28 3329153.0000 . height 50014 3 28 70850875.2500 . volume 50014 3 29 1378989.2500 . height 50014 3 29 29526957.1250 . volume 50014 3 30 188101.9375 . height 50014 3 30 4029715.1875 . volume 50014 3 31 644695.3125 . height 50014 3 31 14343488.3750 . volume 50014 3 32 24926258.0000 . height 50014 3 32 526190337.0000 . volume 50014 3 33 18273550.0000 . height 50014 3 33 397967939.0000 . volume 50014 3 34 14380100.0000 . height 50014 3 34 321504849.0000 . volume 50014 3 35 5326753.0000 . height 50014 3 35 113502702.5000 . volume 50014 3 36 4810457.0000 . height 50014 3 36 103596656.2500 . volume 50014 3 37 2821531.7500 . height 50014 3 37 60980449.8750 . volume 50014 3 38 5056214.0000 . height 50014 3 38 112018528.5000 . volume 50014 3 39 6818425.0000 . height 50014 3 39 145178041.5000 . volume 50014 3 40 5659761.5000 . height 50014 3 40 119736370.2500 . volume 50014 3 41 10339250.0000 . height 50014 3 41 219450320.5000 . volume 50014 3 42 3444905.2500 . height 50014 3 42 73458001.2500 . volume 50014 3 43 5139300.0000 . height 50014 3 43 109085605.0000 . volume 50014 3 44 5280587.5000 . height 50014 3 44 112777527.0000 . volume 50014 3 45 5103676.0000 . height 50014 3 45 108963862.2500 . volume 50014 3 46 6744298.5000 . height 50014 3 46 144799839.0000 . volume 50014 3 47 7822786.0000 . height 50014 3 47 170281655.0000 . volume 50014 3 48 4418627.5000 . height 50014 3 48 95304403.7500 . volume 50014 3 49 3585867.0000 . height 50014 3 49 76736425.7500 . volume 50014 3 50 3012282.0000 . height 50014 3 50 64792454.7500 . volume 50014 3 51 5408653.0000 . height 50014 3 51 113698466.7500 . volume 50014 3 52 11052414.0000 . height 50014 3 52 233842976.0000 . volume 50014 3 53 8726198.0000 . height 50014 3 53 186692935.5000 . volume 50014 3 54 4470421.5000 . height 50014 3 54 96359976.0000 . volume 50014 3 55 4327099.5000 . height 50014 3 55 92549693.0000 . volume 50014 3 56 5040317.5000 . height 50014 3 56 106841841.7500 . volume 50014 3 57 11762356.0000 . height 50014 3 57 249467289.0000 . volume 50014 3 58 4459931.5000 . height 50014 3 58 94996610.2500 . volume 50014 3 59 2853517.7500 . height 50014 3 59 61369256.2500 . volume 50014 3 60 9036713.0000 . height 50014 3 60 193198830.0000 . volume 50014 3 61 3107547.5000 . height 50014 3 61 67270198.0000 . volume 50014 3 62 7488998.0000 . height 50014 3 62 160238682.0000 . volume 50014 3 63 7024995.0000 . height 50014 3 63 148592787.0000 . volume 50014 3 64 2495365.7500 . height 50014 3 64 54302539.6250 . volume 50014 3 65 2173640.2500 . height 50014 3 65 47096953.5000 . volume 50014 3 66 4586198.5000 . height 50014 3 66 98726435.7500 . volume 50014 3 67 5237414.0000 . height 50014 3 67 112922201.2500 . volume 50014 3 68 4080775.5000 . height 50014 3 68 87041852.0000 . volume 50014 3 69 3376317.2500 . height 50014 3 69 72360012.5000 . volume 50014 3 70 2176219.0000 . height 50014 3 70 46780137.8750 . volume 50014 3 71 2545979.0000 . height 50014 3 71 55332471.5000 . volume 50014 3 72 3069680.0000 . height 50014 3 72 66464332.6250 . volume 50014 3 73 2494507.2500 . height 50014 3 73 54032407.0000 . volume 50014 3 74 2990358.7500 . height 50014 3 74 64480840.8750 . volume 50014 3 75 6398684.0000 . height 50014 3 75 137387962.5000 . volume 50014 3 76 4367510.0000 . height 50014 3 76 93756900.2500 . volume 50014 3 77 4523038.5000 . height 50014 3 77 98256627.0000 . volume 50014 3 78 4211172.0000 . height 50014 3 78 90679880.7500 . volume 50014 3 79 4213022.0000 . height 50014 3 79 90328876.2500 . volume 50014 3 80 5008926.5000 . height 50014 3 80 106056308.5000 . volume 50014 3 81 7270062.0000 . height 50014 3 81 154892734.0000 . volume 50014 3 82 11218688.0000 . height 50014 3 82 239893776.5000 . volume 50014 3 83 5758658.5000 . height 50014 3 83 122009144.5000 . volume 50014 3 84 2696471.5000 . height 50014 3 84 58116518.6250 . volume 50014 3 85 3642163.5000 . height 50014 3 85 79250545.5000 . volume 50014 3 86 2342946.0000 . height 50014 3 86 51378202.2500 . volume 50014 3 87 2041912.2500 . height 50014 3 87 44006141.7500 . volume 50014 3 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 3 1 8.141 . 28.7199509330 . . . . . . . . . . . 50014 3 3 2 124.787 . 24.7178641013 . . . . . . . . . . . 50014 3 3 3 57.679 . 77.5241553328 . . . . . . . . . . . 50014 3 4 1 8.141 . 28.6262365989 . . . . . . . . . . . 50014 3 4 2 124.787 . 25.0922232168 . . . . . . . . . . . 50014 3 4 3 38.702 . 80.8346046275 . . . . . . . . . . . 50014 3 5 1 8.282 . 27.0720920525 . . . . . . . . . . . 50014 3 5 2 124.646 . 29.9369034187 . . . . . . . . . . . 50014 3 5 3 62.388 . 76.6390088273 . . . . . . . . . . . 50014 3 6 1 8.281 . 27.1059980150 . . . . . . . . . . . 50014 3 6 2 124.658 . 29.7782099229 . . . . . . . . . . . 50014 3 6 3 32.734 . 75.4188203525 . . . . . . . . . . . 50014 3 7 1 8.226 . 25.1212622970 . . . . . . . . . . . 50014 3 7 2 124.437 . 24.4402792586 . . . . . . . . . . . 50014 3 7 3 56.637 . 76.8521615459 . . . . . . . . . . . 50014 3 8 1 8.226 . 25.1999881584 . . . . . . . . . . . 50014 3 8 2 124.436 . 24.3084889677 . . . . . . . . . . . 50014 3 8 3 30.205 . 77.0427371286 . . . . . . . . . . . 50014 3 9 1 8.260 . 25.4811311606 . . . . . . . . . . . 50014 3 9 2 123.619 . 24.8085537641 . . . . . . . . . . . 50014 3 9 3 61.958 . 77.3260085655 . . . . . . . . . . . 50014 3 10 1 8.260 . 25.9422813542 . . . . . . . . . . . 50014 3 10 2 123.616 . 23.8447386688 . . . . . . . . . . . 50014 3 10 3 33.091 . 77.1846115781 . . . . . . . . . . . 50014 3 11 1 8.135 . 26.0875094682 . . . . . . . . . . . 50014 3 11 2 123.640 . 24.4679873060 . . . . . . . . . . . 50014 3 11 3 42.094 . 77.2697362478 . . . . . . . . . . . 50014 3 12 1 8.135 . 26.1014793068 . . . . . . . . . . . 50014 3 12 2 123.639 . 24.6003034274 . . . . . . . . . . . 50014 3 12 3 55.463 . 77.1977076811 . . . . . . . . . . . 50014 3 13 1 7.998 . 27.0854798146 . . . . . . . . . . . 50014 3 13 2 123.561 . 24.2238517212 . . . . . . . . . . . 50014 3 13 3 45.323 . 77.4091551780 . . . . . . . . . . . 50014 3 14 1 8.289 . 27.0658347290 . . . . . . . . . . . 50014 3 14 2 122.822 . 24.4915960219 . . . . . . . . . . . 50014 3 14 3 56.476 . 77.8139066124 . . . . . . . . . . . 50014 3 15 1 8.289 . 26.7389987130 . . . . . . . . . . . 50014 3 15 2 122.821 . 24.0310758247 . . . . . . . . . . . 50014 3 15 3 33.001 . 78.4909478556 . . . . . . . . . . . 50014 3 16 1 8.362 . 25.7123610936 . . . . . . . . . . . 50014 3 16 2 122.448 . 24.6226029327 . . . . . . . . . . . 50014 3 16 3 56.362 . 77.7652054792 . . . . . . . . . . . 50014 3 17 1 8.362 . 25.7873034570 . . . . . . . . . . . 50014 3 17 2 122.445 . 24.5967621200 . . . . . . . . . . . 50014 3 17 3 32.957 . 78.4429288112 . . . . . . . . . . . 50014 3 18 1 8.165 . 26.4379195869 . . . . . . . . . . . 50014 3 18 2 122.338 . 23.8490526251 . . . . . . . . . . . 50014 3 18 3 30.410 . 78.3998208053 . . . . . . . . . . . 50014 3 19 1 8.163 . 26.9996235147 . . . . . . . . . . . 50014 3 19 2 122.350 . 28.8082350991 . . . . . . . . . . . 50014 3 19 3 56.367 . 78.1957398664 . . . . . . . . . . . 50014 3 20 1 8.094 . 27.3616751656 . . . . . . . . . . . 50014 3 20 2 122.478 . 24.5153979000 . . . . . . . . . . . 50014 3 20 3 38.540 . 77.8710656454 . . . . . . . . . . . 50014 3 21 1 8.094 . 27.2734905593 . . . . . . . . . . . 50014 3 21 2 122.475 . 24.4679658436 . . . . . . . . . . . 50014 3 21 3 53.235 . 77.4809109092 . . . . . . . . . . . 50014 3 22 1 8.064 . 27.0685995929 . . . . . . . . . . . 50014 3 22 2 122.254 . 24.7500899985 . . . . . . . . . . . 50014 3 22 3 57.650 . 76.8959516404 . . . . . . . . . . . 50014 3 23 1 8.064 . 27.3113255389 . . . . . . . . . . . 50014 3 23 2 122.253 . 25.4802431938 . . . . . . . . . . . 50014 3 23 3 29.423 . 96.5335581380 . . . . . . . . . . . 50014 3 24 1 8.017 . 26.4600384980 . . . . . . . . . . . 50014 3 24 2 122.093 . 24.6340638911 . . . . . . . . . . . 50014 3 24 3 53.947 . 77.5837698851 . . . . . . . . . . . 50014 3 25 1 8.018 . 26.3081165031 . . . . . . . . . . . 50014 3 25 2 122.091 . 24.5373540058 . . . . . . . . . . . 50014 3 25 3 38.447 . 77.0754773862 . . . . . . . . . . . 50014 3 26 1 8.160 . 27.6003265753 . . . . . . . . . . . 50014 3 26 2 122.149 . 23.3720492516 . . . . . . . . . . . 50014 3 26 3 32.838 . 77.6276963974 . . . . . . . . . . . 50014 3 27 1 8.162 . 28.2248947769 . . . . . . . . . . . 50014 3 27 2 122.170 . 32.2664612662 . . . . . . . . . . . 50014 3 27 3 56.356 . 77.4620852611 . . . . . . . . . . . 50014 3 28 1 8.203 . 27.8014340438 . . . . . . . . . . . 50014 3 28 2 122.091 . 24.1425733511 . . . . . . . . . . . 50014 3 28 3 55.562 . 78.1136163870 . . . . . . . . . . . 50014 3 29 1 8.203 . 27.5357160717 . . . . . . . . . . . 50014 3 29 2 122.090 . 24.1375725958 . . . . . . . . . . . 50014 3 29 3 32.462 . 79.9582570662 . . . . . . . . . . . 50014 3 30 1 8.190 . 23.4266917687 . . . . . . . . . . . 50014 3 30 2 121.157 . 28.4867487759 . . . . . . . . . . . 50014 3 30 3 32.408 . 68.4516935391 . . . . . . . . . . . 50014 3 31 1 8.190 . 25.2760946751 . . . . . . . . . . . 50014 3 31 2 121.139 . 31.9695494700 . . . . . . . . . . . 50014 3 31 3 55.802 . 85.1875582907 . . . . . . . . . . . 50014 3 32 1 7.880 . 25.2050813287 . . . . . . . . . . . 50014 3 32 2 121.579 . 24.4125712111 . . . . . . . . . . . 50014 3 32 3 45.510 . 77.3292143824 . . . . . . . . . . . 50014 3 33 1 7.988 . 26.8028816208 . . . . . . . . . . . 50014 3 33 2 121.336 . 27.8541639647 . . . . . . . . . . . 50014 3 33 3 45.377 . 79.1970460775 . . . . . . . . . . . 50014 3 34 1 7.996 . 27.4906051345 . . . . . . . . . . . 50014 3 34 2 121.220 . 31.8170800903 . . . . . . . . . . . 50014 3 34 3 45.371 . 78.3648978639 . . . . . . . . . . . 50014 3 35 1 8.047 . 25.8299405687 . . . . . . . . . . . 50014 3 35 2 121.292 . 25.2901286435 . . . . . . . . . . . 50014 3 35 3 56.184 . 76.4505477196 . . . . . . . . . . . 50014 3 36 1 8.046 . 25.8983345702 . . . . . . . . . . . 50014 3 36 2 121.291 . 26.1463094567 . . . . . . . . . . . 50014 3 36 3 33.096 . 79.2963581921 . . . . . . . . . . . 50014 3 37 1 8.075 . 28.1116808765 . . . . . . . . . . . 50014 3 37 2 121.352 . 26.0729936626 . . . . . . . . . . . 50014 3 37 3 58.567 . 77.9818368502 . . . . . . . . . . . 50014 3 38 1 8.074 . 28.9926538244 . . . . . . . . . . . 50014 3 38 2 121.347 . 28.5830937993 . . . . . . . . . . . 50014 3 38 3 63.757 . 80.1320532669 . . . . . . . . . . . 50014 3 39 1 8.282 . 26.2838148046 . . . . . . . . . . . 50014 3 39 2 121.044 . 23.8765675103 . . . . . . . . . . . 50014 3 39 3 56.535 . 78.6082671119 . . . . . . . . . . . 50014 3 40 1 8.282 . 25.9530497715 . . . . . . . . . . . 50014 3 40 2 121.047 . 24.6808520736 . . . . . . . . . . . 50014 3 40 3 30.196 . 76.8402932025 . . . . . . . . . . . 50014 3 41 1 8.282 . 26.2234243564 . . . . . . . . . . . 50014 3 41 2 120.952 . 24.9819705136 . . . . . . . . . . . 50014 3 41 3 45.705 . 78.3250638839 . . . . . . . . . . . 50014 3 42 1 8.503 . 27.3881596513 . . . . . . . . . . . 50014 3 42 2 120.960 . 24.3892629697 . . . . . . . . . . . 50014 3 42 3 32.297 . 78.4325610629 . . . . . . . . . . . 50014 3 43 1 8.503 . 27.2564648185 . . . . . . . . . . . 50014 3 43 2 120.954 . 24.1810340955 . . . . . . . . . . . 50014 3 43 3 62.981 . 77.0361890771 . . . . . . . . . . . 50014 3 44 1 7.957 . 25.3351754509 . . . . . . . . . . . 50014 3 44 2 120.882 . 26.9515383685 . . . . . . . . . . . 50014 3 44 3 55.964 . 78.1313506932 . . . . . . . . . . . 50014 3 45 1 7.956 . 25.1829624176 . . . . . . . . . . . 50014 3 45 2 120.889 . 27.1027629251 . . . . . . . . . . . 50014 3 45 3 42.067 . 78.4999514264 . . . . . . . . . . . 50014 3 46 1 8.070 . 25.9216176346 . . . . . . . . . . . 50014 3 46 2 120.827 . 25.6417268106 . . . . . . . . . . . 50014 3 46 3 55.610 . 79.6854215864 . . . . . . . . . . . 50014 3 47 1 8.089 . 29.2097683996 . . . . . . . . . . . 50014 3 47 2 120.832 . 25.9634921458 . . . . . . . . . . . 50014 3 47 3 45.192 . 78.5673417900 . . . . . . . . . . . 50014 3 48 1 8.071 . 26.4585833065 . . . . . . . . . . . 50014 3 48 2 120.831 . 27.0455869077 . . . . . . . . . . . 50014 3 48 3 32.860 . 77.4219784456 . . . . . . . . . . . 50014 3 49 1 8.122 . 27.4021294899 . . . . . . . . . . . 50014 3 49 2 120.635 . 25.3069981441 . . . . . . . . . . . 50014 3 49 3 56.127 . 76.5842371047 . . . . . . . . . . . 50014 3 50 1 8.122 . 27.7016079053 . . . . . . . . . . . 50014 3 50 2 120.629 . 24.9282714162 . . . . . . . . . . . 50014 3 50 3 30.874 . 79.3913049391 . . . . . . . . . . . 50014 3 51 1 8.095 . 25.2190511674 . . . . . . . . . . . 50014 3 51 2 120.495 . 23.9455908106 . . . . . . . . . . . 50014 3 51 3 54.075 . 76.6596761149 . . . . . . . . . . . 50014 3 52 1 8.095 . 25.5357008427 . . . . . . . . . . . 50014 3 52 2 120.499 . 24.6612353769 . . . . . . . . . . . 50014 3 52 3 41.341 . 77.4017886201 . . . . . . . . . . . 50014 3 53 1 7.908 . 27.5910133496 . . . . . . . . . . . 50014 3 53 2 120.194 . 24.4250194431 . . . . . . . . . . . 50014 3 53 3 45.677 . 78.2290257950 . . . . . . . . . . . 50014 3 54 1 7.957 . 27.1838507615 . . . . . . . . . . . 50014 3 54 2 120.263 . 25.9866286874 . . . . . . . . . . . 50014 3 54 3 41.810 . 78.0276732108 . . . . . . . . . . . 50014 3 55 1 7.956 . 26.6972347163 . . . . . . . . . . . 50014 3 55 2 120.264 . 25.5129949215 . . . . . . . . . . . 50014 3 55 3 55.728 . 77.4427139420 . . . . . . . . . . . 50014 3 56 1 7.980 . 25.8200452663 . . . . . . . . . . . 50014 3 56 2 120.216 . 24.7038598403 . . . . . . . . . . . 50014 3 56 3 53.186 . 76.7074223238 . . . . . . . . . . . 50014 3 57 1 7.980 . 25.6951898336 . . . . . . . . . . . 50014 3 57 2 120.212 . 24.6663863694 . . . . . . . . . . . 50014 3 57 3 38.795 . 77.7155494219 . . . . . . . . . . . 50014 3 58 1 8.214 . 26.0738306679 . . . . . . . . . . . 50014 3 58 2 120.380 . 25.0200878585 . . . . . . . . . . . 50014 3 58 3 54.331 . 77.9564631506 . . . . . . . . . . . 50014 3 59 1 8.281 . 27.0786404144 . . . . . . . . . . . 50014 3 59 2 120.322 . 25.8595279460 . . . . . . . . . . . 50014 3 59 3 32.800 . 78.1602712540 . . . . . . . . . . . 50014 3 60 1 8.215 . 26.1560489889 . . . . . . . . . . . 50014 3 60 2 120.375 . 25.1329804455 . . . . . . . . . . . 50014 3 60 3 41.131 . 77.6320617650 . . . . . . . . . . . 50014 3 61 1 8.282 . 27.5668571703 . . . . . . . . . . . 50014 3 61 2 120.342 . 25.9239153529 . . . . . . . . . . . 50014 3 61 3 56.614 . 77.0754773862 . . . . . . . . . . . 50014 3 62 1 8.361 . 25.7497595157 . . . . . . . . . . . 50014 3 62 2 120.238 . 24.5921691517 . . . . . . . . . . . 50014 3 62 3 19.383 . 82.1136573570 . . . . . . . . . . . 50014 3 63 1 8.361 . 25.7571809925 . . . . . . . . . . . 50014 3 63 2 120.238 . 24.5272666454 . . . . . . . . . . . 50014 3 63 3 52.506 . 77.5152881797 . . . . . . . . . . . 50014 3 64 1 8.397 . 30.6394940708 . . . . . . . . . . . 50014 3 64 2 119.883 . 25.5631312491 . . . . . . . . . . . 50014 3 64 3 56.058 . 78.9843708209 . . . . . . . . . . . 50014 3 65 1 8.396 . 30.4087006953 . . . . . . . . . . . 50014 3 65 2 119.874 . 25.3797559140 . . . . . . . . . . . 50014 3 65 3 30.797 . 78.4876738299 . . . . . . . . . . . 50014 3 66 1 8.207 . 27.7024810202 . . . . . . . . . . . 50014 3 66 2 119.649 . 24.8036173962 . . . . . . . . . . . 50014 3 66 3 52.487 . 79.5419101240 . . . . . . . . . . . 50014 3 67 1 8.207 . 27.5387719739 . . . . . . . . . . . 50014 3 67 2 119.652 . 25.0453706470 . . . . . . . . . . . 50014 3 67 3 19.259 . 81.9166701406 . . . . . . . . . . . 50014 3 68 1 8.409 . 27.4414196610 . . . . . . . . . . . 50014 3 68 2 118.673 . 24.3470677557 . . . . . . . . . . . 50014 3 68 3 57.237 . 77.7418780457 . . . . . . . . . . . 50014 3 69 1 8.409 . 27.4513149634 . . . . . . . . . . . 50014 3 69 2 118.673 . 24.6509763167 . . . . . . . . . . . 50014 3 69 3 30.052 . 79.4464177060 . . . . . . . . . . . 50014 3 70 1 8.256 . 30.5318098981 . . . . . . . . . . . 50014 3 70 2 117.195 . 24.3757416143 . . . . . . . . . . . 50014 3 70 3 52.711 . 77.7169135993 . . . . . . . . . . . 50014 3 71 1 8.256 . 31.3461350743 . . . . . . . . . . . 50014 3 71 2 117.194 . 24.7494461245 . . . . . . . . . . . 50014 3 71 3 19.335 . 80.2005349723 . . . . . . . . . . . 50014 3 72 1 8.000 . 29.2644836009 . . . . . . . . . . . 50014 3 72 2 115.900 . 25.4745771020 . . . . . . . . . . . 50014 3 72 3 56.346 . 78.6048566684 . . . . . . . . . . . 50014 3 73 1 8.000 . 29.7842780128 . . . . . . . . . . . 50014 3 73 2 115.890 . 25.2263851105 . . . . . . . . . . . 50014 3 73 3 30.558 . 80.5874156828 . . . . . . . . . . . 50014 3 74 1 7.394 . 29.6262442134 . . . . . . . . . . . 50014 3 74 2 108.096 . 24.4321020579 . . . . . . . . . . . 50014 3 74 3 53.892 . 78.4145539213 . . . . . . . . . . . 50014 3 75 1 7.394 . 29.2199547403 . . . . . . . . . . . 50014 3 75 2 108.097 . 24.6489588446 . . . . . . . . . . . 50014 3 75 3 40.770 . 77.0356434061 . . . . . . . . . . . 50014 3 76 1 8.167 . 29.3145421892 . . . . . . . . . . . 50014 3 76 2 107.533 . 25.3115481875 . . . . . . . . . . . 50014 3 76 3 52.862 . 76.3508263517 . . . . . . . . . . . 50014 3 77 1 8.168 . 29.4874189422 . . . . . . . . . . . 50014 3 77 2 107.531 . 25.2652751044 . . . . . . . . . . . 50014 3 77 3 19.046 . 81.6209164804 . . . . . . . . . . . 50014 3 78 1 8.361 . 28.6026624963 . . . . . . . . . . . 50014 3 78 2 109.280 . 25.2698251478 . . . . . . . . . . . 50014 3 78 3 42.263 . 77.7894878369 . . . . . . . . . . . 50014 3 79 1 8.361 . 28.4791167360 . . . . . . . . . . . 50014 3 79 2 109.282 . 25.0458428213 . . . . . . . . . . . 50014 3 79 3 55.516 . 76.3228607150 . . . . . . . . . . . 50014 3 80 1 8.259 . 26.3476977125 . . . . . . . . . . . 50014 3 80 2 109.403 . 24.5440502962 . . . . . . . . . . . 50014 3 80 3 58.146 . 76.1687086689 . . . . . . . . . . . 50014 3 81 1 8.259 . 26.4181289822 . . . . . . . . . . . 50014 3 81 2 109.403 . 24.6135886957 . . . . . . . . . . . 50014 3 81 3 39.168 . 78.0407693139 . . . . . . . . . . . 50014 3 82 1 8.293 . 26.3446418103 . . . . . . . . . . . 50014 3 82 2 109.987 . 25.0287586960 . . . . . . . . . . . 50014 3 82 3 41.194 . 77.2446353837 . . . . . . . . . . . 50014 3 83 1 8.293 . 26.5277049039 . . . . . . . . . . . 50014 3 83 2 109.981 . 24.7003829203 . . . . . . . . . . . 50014 3 83 3 54.357 . 76.5475407327 . . . . . . . . . . . 50014 3 84 1 8.219 . 29.9308157992 . . . . . . . . . . . 50014 3 84 2 109.873 . 25.6443881567 . . . . . . . . . . . 50014 3 84 3 58.025 . 76.6645871535 . . . . . . . . . . . 50014 3 85 1 8.219 . 29.8951636069 . . . . . . . . . . . 50014 3 85 2 109.879 . 25.8352324310 . . . . . . . . . . . 50014 3 85 3 39.490 . 80.5759565926 . . . . . . . . . . . 50014 3 86 1 8.289 . 31.1942130793 . . . . . . . . . . . 50014 3 86 2 109.713 . 27.4487808503 . . . . . . . . . . . 50014 3 86 3 56.358 . 77.3611361336 . . . . . . . . . . . 50014 3 87 1 8.290 . 30.7617301587 . . . . . . . . . . . 50014 3 87 2 109.692 . 26.1351918978 . . . . . . . . . . . 50014 3 87 3 30.690 . 75.5437790023 . . . . . . . . . . . 50014 3 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 3 1 1 . . 8.141 . . 1 . 1 1 32 ALA H . . . . . . . . . . 5 . 50014 3 3 2 1 . . 124.787 . . 1 . 1 1 32 ALA N . . . . . . . . . . 6 . 50014 3 3 3 1 . . 57.679 . . 1 . 1 1 31 TYR CA . . . . . . . . . . 111 . 50014 3 4 1 1 . . 8.141 . . 1 . 1 1 32 ALA H . . . . . . . . . . 5 . 50014 3 4 2 1 . . 124.787 . . 1 . 1 1 32 ALA N . . . . . . . . . . 6 . 50014 3 4 3 1 . . 38.702 . . 1 . 1 1 31 TYR CB . . . . . . . . . . 7 . 50014 3 5 1 2 . . 8.282 . . 1 . 1 1 43 LYS H . . . . . . . . . . 194 . 50014 3 5 2 2 . . 124.646 . . 1 . 1 1 43 LYS N . . . . . . . . . . 195 . 50014 3 5 3 4 . . 62.388 . . 1 . 1 1 42 VAL CA . . . . . . . . . . 205 . 50014 3 6 1 2 . . 8.281 . . 1 . 1 1 43 LYS H . . . . . . . . . . 194 . 50014 3 6 2 2 . . 124.658 . . 1 . 1 1 43 LYS N . . . . . . . . . . 195 . 50014 3 6 3 3 . . 32.734 . . 1 . 1 1 42 VAL CB . . . . . . . . . . 250 . 50014 3 7 1 1 . . 8.226 . . 1 . 1 1 45 ALA H . . . . . . . . . . 11 . 50014 3 7 2 1 . . 124.437 . . 1 . 1 1 45 ALA N . . . . . . . . . . 12 . 50014 3 7 3 1 . . 56.637 . . 1 . 1 1 44 GLU CA . . . . . . . . . . 34 . 50014 3 8 1 1 . . 8.226 . . 1 . 1 1 45 ALA H . . . . . . . . . . 11 . 50014 3 8 2 1 . . 124.436 . . 1 . 1 1 45 ALA N . . . . . . . . . . 12 . 50014 3 8 3 1 . . 30.205 . . 1 . 1 1 44 GLU CB . . . . . . . . . . 14 . 50014 3 9 1 1 . . 8.260 . . 1 . 1 1 5 ASP H . . . . . . . . . . 15 . 50014 3 9 2 1 . . 123.619 . . 1 . 1 1 5 ASP N . . . . . . . . . . 16 . 50014 3 9 3 1 . . 61.958 . . 1 . 1 1 4 VAL CA . . . . . . . . . . 103 . 50014 3 10 1 1 . . 8.260 . . 1 . 1 1 5 ASP H . . . . . . . . . . 15 . 50014 3 10 2 1 . . 123.616 . . 1 . 1 1 5 ASP N . . . . . . . . . . 16 . 50014 3 10 3 1 . . 33.091 . . 1 . 1 1 4 VAL CB . . . . . . . . . . 17 . 50014 3 11 1 1 . . 8.135 . . 1 . 1 1 35 ALA H . . . . . . . . . . 20 . 50014 3 11 2 1 . . 123.640 . . 1 . 1 1 35 ALA N . . . . . . . . . . 21 . 50014 3 11 3 1 . . 42.094 . . 1 . 1 1 34 LEU CB . . . . . . . . . . 23 . 50014 3 12 1 1 . . 8.135 . . 1 . 1 1 35 ALA H . . . . . . . . . . 20 . 50014 3 12 2 1 . . 123.639 . . 1 . 1 1 35 ALA N . . . . . . . . . . 21 . 50014 3 12 3 1 . . 55.463 . . 1 . 1 1 34 LEU CA . . . . . . . . . . 41 . 50014 3 13 1 1 . . 7.998 . . 1 . 1 1 39 ALA H . . . . . . . . . . 24 . 50014 3 13 2 1 . . 123.561 . . 1 . 1 1 39 ALA N . . . . . . . . . . 25 . 50014 3 13 3 1 . . 45.323 . . 1 . 1 1 38 GLY CA . . . . . . . . . . 26 . 50014 3 14 1 1 . . 8.289 . . 1 . 1 1 27 GLU H . . . . . . . . . . 27 . 50014 3 14 2 1 . . 122.822 . . 1 . 1 1 27 GLU N . . . . . . . . . . 28 . 50014 3 14 3 2 . . 56.476 . . 1 . 1 1 26 LYS CA . . . . . . . . . . 261 . 50014 3 15 1 1 . . 8.289 . . 1 . 1 1 27 GLU H . . . . . . . . . . 27 . 50014 3 15 2 1 . . 122.821 . . 1 . 1 1 27 GLU N . . . . . . . . . . 28 . 50014 3 15 3 4 . . 33.001 . . 1 . . . . . . . . . . . . . . . . 258 . 50014 3 16 1 1 . . 8.362 . . 1 . 1 1 44 GLU H . . . . . . . . . . 31 . 50014 3 16 2 1 . . 122.448 . . 1 . 1 1 44 GLU N . . . . . . . . . . 32 . 50014 3 16 3 1 . . 56.362 . . 1 . 1 1 43 LYS CA . . . . . . . . . . 199 . 50014 3 17 1 1 . . 8.362 . . 1 . 1 1 44 GLU H . . . . . . . . . . 31 . 50014 3 17 2 1 . . 122.445 . . 1 . 1 1 44 GLU N . . . . . . . . . . 32 . 50014 3 17 3 1 . . 32.957 . . 1 . 1 1 43 LYS CB . . . . . . . . . . 33 . 50014 3 18 1 1 . . 8.165 . . 1 . 1 1 28 VAL H . . . . . . . . . . 35 . 50014 3 18 2 1 . . 122.338 . . 1 . 1 1 28 VAL N . . . . . . . . . . 36 . 50014 3 18 3 1 . . 30.410 . . 1 . 1 1 27 GLU CB . . . . . . . . . . 38 . 50014 3 19 1 1 . . 8.163 . . 1 . 1 1 28 VAL H . . . . . . . . . . 35 . 50014 3 19 2 1 . . 122.350 . . 1 . 1 1 28 VAL N . . . . . . . . . . 36 . 50014 3 19 3 1 . . 56.367 . . 1 . 1 1 27 GLU CA . . . . . . . . . . 30 . 50014 3 20 1 1 . . 8.094 . . 1 . 1 1 34 LEU H . . . . . . . . . . 39 . 50014 3 20 2 1 . . 122.478 . . 1 . 1 1 34 LEU N . . . . . . . . . . 40 . 50014 3 20 3 1 . . 38.540 . . 1 . 1 1 33 ASN CB . . . . . . . . . . 42 . 50014 3 21 1 1 . . 8.094 . . 1 . 1 1 34 LEU H . . . . . . . . . . 39 . 50014 3 21 2 1 . . 122.475 . . 1 . 1 1 34 LEU N . . . . . . . . . . 40 . 50014 3 21 3 1 . . 53.235 . . 1 . 1 1 33 ASN CA . . . . . . . . . . 153 . 50014 3 22 1 1 . . 8.064 . . 1 . 1 1 18 ASP H . . . . . . . . . . 43 . 50014 3 22 2 1 . . 122.254 . . 1 . 1 1 18 ASP N . . . . . . . . . . 44 . 50014 3 22 3 1 . . 57.650 . . 1 . . . . . . . . . . . . . . . . 45 . 50014 3 23 1 1 . . 8.064 . . 1 . 1 1 18 ASP H . . . . . . . . . . 43 . 50014 3 23 2 1 . . 122.253 . . 1 . 1 1 18 ASP N . . . . . . . . . . 44 . 50014 3 23 3 1 . . 29.423 . . 1 . 1 1 17 TRP CB . . . . . . . . . . 46 . 50014 3 24 1 1 . . 8.017 . . 1 . 1 1 11 LEU H . . . . . . . . . . 47 . 50014 3 24 2 1 . . 122.093 . . 1 . 1 1 11 LEU N . . . . . . . . . . 48 . 50014 3 24 3 1 . . 53.947 . . 1 . 1 1 10 ASN CA . . . . . . . . . . 149 . 50014 3 25 1 1 . . 8.018 . . 1 . 1 1 11 LEU H . . . . . . . . . . 47 . 50014 3 25 2 1 . . 122.091 . . 1 . 1 1 11 LEU N . . . . . . . . . . 48 . 50014 3 25 3 1 . . 38.447 . . 1 . 1 1 10 ASN CB . . . . . . . . . . 49 . 50014 3 26 1 1 . . 8.160 . . 1 . 1 1 30 ARG H . . . . . . . . . . 51 . 50014 3 26 2 1 . . 122.149 . . 1 . 1 1 30 ARG N . . . . . . . . . . 52 . 50014 3 26 3 1 . . 32.838 . . 1 . 1 1 29 LYS CB . . . . . . . . . . 53 . 50014 3 27 1 1 . . 8.162 . . 1 . 1 1 30 ARG H . . . . . . . . . . 51 . 50014 3 27 2 1 . . 122.170 . . 1 . 1 1 30 ARG N . . . . . . . . . . 52 . 50014 3 27 3 3 . . 56.356 . . 1 . 1 1 29 LYS CA . . . . . . . . . . 3 . 50014 3 28 1 1 . . 8.203 . . 1 . 1 1 22 ARG H . . . . . . . . . . 57 . 50014 3 28 2 1 . . 122.091 . . 1 . 1 1 22 ARG N . . . . . . . . . . 58 . 50014 3 28 3 1 . . 55.562 . . 1 . 1 1 21 MET CA . . . . . . . . . . 60 . 50014 3 29 1 1 . . 8.203 . . 1 . 1 1 22 ARG H . . . . . . . . . . 57 . 50014 3 29 2 1 . . 122.090 . . 1 . 1 1 22 ARG N . . . . . . . . . . 58 . 50014 3 29 3 1 . . 32.462 . . 1 . 1 1 21 MET CB . . . . . . . . . . 59 . 50014 3 30 1 1 . . 8.190 . . 1 . . . . . . . . . . . . . . . . 61 . 50014 3 30 2 1 . . 121.157 . . 1 . . . . . . . . . . . . . . . . 62 . 50014 3 30 3 1 . . 32.408 . . 1 . . . . . . . . . . . . . . . . 65 . 50014 3 31 1 1 . . 8.190 . . 1 . . . . . . . . . . . . . . . . 61 . 50014 3 31 2 1 . . 121.139 . . 1 . . . . . . . . . . . . . . . . 62 . 50014 3 31 3 1 . . 55.802 . . 1 . . . . . . . . . . . . . . . . 64 . 50014 3 32 1 1 . . 7.880 . . 1 . . . . . . . . . . . . . . . . 66 . 50014 3 32 2 1 . . 121.579 . . 1 . . . . . . . . . . . . . . . . 67 . 50014 3 32 3 1 . . 45.510 . . 1 . . . . . . . . . . . . . . . . 68 . 50014 3 33 1 1 . . 7.988 . . 1 . 1 1 37 LEU H . . . . . . . . . . 70 . 50014 3 33 2 1 . . 121.336 . . 1 . 1 1 37 LEU N . . . . . . . . . . 71 . 50014 3 33 3 1 . . 45.377 . . 1 . 1 1 36 GLY CA . . . . . . . . . . 165 . 50014 3 34 1 1 . . 7.996 . . 1 . 1 1 17 TRP H . . . . . . . . . . 72 . 50014 3 34 2 1 . . 121.220 . . 1 . 1 1 17 TRP N . . . . . . . . . . 73 . 50014 3 34 3 1 . . 45.371 . . 1 . 1 1 16 GLY CA . . . . . . . . . . 75 . 50014 3 35 1 1 . . 8.047 . . 1 . 1 1 25 VAL H . . . . . . . . . . 76 . 50014 3 35 2 1 . . 121.292 . . 1 . 1 1 25 VAL N . . . . . . . . . . 77 . 50014 3 35 3 2 . . 56.184 . . 1 . 1 1 24 LYS CA . . . . . . . . . . 78 . 50014 3 36 1 1 . . 8.046 . . 1 . 1 1 25 VAL H . . . . . . . . . . 76 . 50014 3 36 2 1 . . 121.291 . . 1 . 1 1 25 VAL N . . . . . . . . . . 77 . 50014 3 36 3 1 . . 33.096 . . 1 . 1 1 24 LYS CB . . . . . . . . . . 79 . 50014 3 37 1 1 . . 8.075 . . 1 . 1 1 15 PHE H . . . . . . . . . . 80 . 50014 3 37 2 1 . . 121.352 . . 1 . 1 1 15 PHE N . . . . . . . . . . 81 . 50014 3 37 3 1 . . 58.567 . . 1 . 1 1 14 SER CA . . . . . . . . . . 157 . 50014 3 38 1 1 . . 8.074 . . 1 . 1 1 15 PHE H . . . . . . . . . . 80 . 50014 3 38 2 1 . . 121.347 . . 1 . 1 1 15 PHE N . . . . . . . . . . 81 . 50014 3 38 3 1 . . 63.757 . . 1 . 1 1 14 SER CB . . . . . . . . . . 82 . 50014 3 39 1 1 . . 8.282 . . 1 . 1 1 47 ASP H . . . . . . . . . . 85 . 50014 3 39 2 1 . . 121.044 . . 1 . 1 1 47 ASP N . . . . . . . . . . 86 . 50014 3 39 3 1 . . 56.535 . . 1 . 1 1 46 GLU CA . . . . . . . . . . 87 . 50014 3 40 1 1 . . 8.282 . . 1 . 1 1 47 ASP H . . . . . . . . . . 85 . 50014 3 40 2 1 . . 121.047 . . 1 . 1 1 47 ASP N . . . . . . . . . . 86 . 50014 3 40 3 1 . . 30.196 . . 1 . 1 1 46 GLU CB . . . . . . . . . . 95 . 50014 3 41 1 1 . . 8.282 . . 1 . 1 1 9 GLU H . . . . . . . . . . 83 . 50014 3 41 2 1 . . 120.952 . . 1 . 1 1 9 GLU N . . . . . . . . . . 84 . 50014 3 41 3 1 . . 45.705 . . 1 . 1 1 8 GLY CA . . . . . . . . . . 175 . 50014 3 42 1 1 . . 8.503 . . 1 . 1 1 3 MET H . . . . . . . . . . 90 . 50014 3 42 2 1 . . 120.960 . . 1 . 1 1 3 MET N . . . . . . . . . . 91 . 50014 3 42 3 1 . . 32.297 . . 1 . 1 1 2 PRO CB . . . . . . . . . . 94 . 50014 3 43 1 1 . . 8.503 . . 1 . 1 1 3 MET H . . . . . . . . . . 90 . 50014 3 43 2 1 . . 120.954 . . 1 . 1 1 3 MET N . . . . . . . . . . 91 . 50014 3 43 3 1 . . 62.981 . . 1 . 1 1 2 PRO CA . . . . . . . . . . 92 . 50014 3 44 1 1 . . 7.957 . . 1 . 1 1 12 LEU H . . . . . . . . . . 97 . 50014 3 44 2 1 . . 120.882 . . 1 . 1 1 12 LEU N . . . . . . . . . . 98 . 50014 3 44 3 1 . . 55.964 . . 1 . 1 1 11 LEU CA . . . . . . . . . . 50 . 50014 3 45 1 1 . . 7.956 . . 1 . 1 1 12 LEU H . . . . . . . . . . 97 . 50014 3 45 2 1 . . 120.889 . . 1 . 1 1 12 LEU N . . . . . . . . . . 98 . 50014 3 45 3 1 . . 42.067 . . 1 . 1 1 11 LEU CB . . . . . . . . . . 100 . 50014 3 46 1 1 . . 8.070 . . 1 . 1 1 4 VAL H . . . . . . . . . . 101 . 50014 3 46 2 1 . . 120.827 . . 1 . 1 1 4 VAL N . . . . . . . . . . 102 . 50014 3 46 3 1 . . 55.610 . . 1 . 1 1 3 MET CA . . . . . . . . . . 104 . 50014 3 47 1 2 . . 8.089 . . 1 . 1 1 24 LYS H . . . . . . . . . . 106 . 50014 3 47 2 2 . . 120.832 . . 1 . 1 1 24 LYS N . . . . . . . . . . 107 . 50014 3 47 3 1 . . 45.192 . . 1 . 1 1 23 GLY CA . . . . . . . . . . 108 . 50014 3 48 1 1 . . 8.071 . . 1 . 1 1 4 VAL H . . . . . . . . . . 101 . 50014 3 48 2 1 . . 120.831 . . 1 . 1 1 4 VAL N . . . . . . . . . . 102 . 50014 3 48 3 1 . . 32.860 . . 1 . 1 1 3 MET CB . . . . . . . . . . 105 . 50014 3 49 1 1 . . 8.122 . . 1 . 1 1 31 TYR H . . . . . . . . . . 109 . 50014 3 49 2 1 . . 120.635 . . 1 . 1 1 31 TYR N . . . . . . . . . . 110 . 50014 3 49 3 1 . . 56.127 . . 1 . 1 1 30 ARG CA . . . . . . . . . . 56 . 50014 3 50 1 1 . . 8.122 . . 1 . 1 1 31 TYR H . . . . . . . . . . 109 . 50014 3 50 2 1 . . 120.629 . . 1 . 1 1 31 TYR N . . . . . . . . . . 110 . 50014 3 50 3 1 . . 30.874 . . 1 . 1 1 30 ARG CB . . . . . . . . . . 112 . 50014 3 51 1 1 . . 8.095 . . 1 . 1 1 6 ASP H . . . . . . . . . . 113 . 50014 3 51 2 1 . . 120.495 . . 1 . 1 1 6 ASP N . . . . . . . . . . 114 . 50014 3 51 3 1 . . 54.075 . . 1 . 1 1 5 ASP CA . . . . . . . . . . 18 . 50014 3 52 1 1 . . 8.095 . . 1 . 1 1 6 ASP H . . . . . . . . . . 113 . 50014 3 52 2 1 . . 120.499 . . 1 . 1 1 6 ASP N . . . . . . . . . . 114 . 50014 3 52 3 1 . . 41.341 . . 1 . 1 1 5 ASP CB . . . . . . . . . . 115 . 50014 3 53 1 1 . . 7.908 . . 1 . 1 1 20 LYS H . . . . . . . . . . 117 . 50014 3 53 2 1 . . 120.194 . . 1 . 1 1 20 LYS N . . . . . . . . . . 118 . 50014 3 53 3 1 . . 45.677 . . 1 . 1 1 19 GLY CA . . . . . . . . . . 119 . 50014 3 54 1 1 . . 7.957 . . 1 . 1 1 13 ARG H . . . . . . . . . . 120 . 50014 3 54 2 1 . . 120.263 . . 1 . 1 1 13 ARG N . . . . . . . . . . 121 . 50014 3 54 3 1 . . 41.810 . . 1 . 1 1 12 LEU CB . . . . . . . . . . 123 . 50014 3 55 1 1 . . 7.956 . . 1 . 1 1 13 ARG H . . . . . . . . . . 120 . 50014 3 55 2 1 . . 120.264 . . 1 . 1 1 13 ARG N . . . . . . . . . . 121 . 50014 3 55 3 1 . . 55.728 . . 1 . 1 1 12 LEU CA . . . . . . . . . . 99 . 50014 3 56 1 2 . . 7.980 . . 1 . 1 1 42 VAL H . . . . . . . . . . 200 . 50014 3 56 2 2 . . 120.216 . . 1 . 1 1 42 VAL N . . . . . . . . . . 201 . 50014 3 56 3 1 . . 53.186 . . 1 . 1 1 41 ASN CA . . . . . . . . . . 141 . 50014 3 57 1 2 . . 7.980 . . 1 . 1 1 42 VAL H . . . . . . . . . . 200 . 50014 3 57 2 2 . . 120.212 . . 1 . 1 1 42 VAL N . . . . . . . . . . 201 . 50014 3 57 3 1 . . 38.795 . . 1 . 1 1 41 ASN CB . . . . . . . . . . 126 . 50014 3 58 1 1 . . 8.214 . . 1 . 1 1 7 PHE H . . . . . . . . . . 127 . 50014 3 58 2 1 . . 120.380 . . 1 . 1 1 7 PHE N . . . . . . . . . . 128 . 50014 3 58 3 1 . . 54.331 . . 1 . 1 1 6 ASP CA . . . . . . . . . . 116 . 50014 3 59 1 1 . . 8.281 . . 1 . 1 1 21 MET H . . . . . . . . . . 131 . 50014 3 59 2 1 . . 120.322 . . 1 . 1 1 21 MET N . . . . . . . . . . 132 . 50014 3 59 3 1 . . 32.800 . . 1 . 1 1 20 LYS CB . . . . . . . . . . 134 . 50014 3 60 1 1 . . 8.215 . . 1 . 1 1 7 PHE H . . . . . . . . . . 127 . 50014 3 60 2 1 . . 120.375 . . 1 . 1 1 7 PHE N . . . . . . . . . . 128 . 50014 3 60 3 1 . . 41.131 . . 1 . 1 1 6 ASP CB . . . . . . . . . . 130 . 50014 3 61 1 1 . . 8.282 . . 1 . 1 1 21 MET H . . . . . . . . . . 131 . 50014 3 61 2 1 . . 120.342 . . 1 . 1 1 21 MET N . . . . . . . . . . 132 . 50014 3 61 3 2 . . 56.614 . . 1 . 1 1 20 LYS CA . . . . . . . . . . 133 . 50014 3 62 1 1 . . 8.361 . . 1 . 1 1 46 GLU H . . . . . . . . . . 135 . 50014 3 62 2 1 . . 120.238 . . 1 . 1 1 46 GLU N . . . . . . . . . . 136 . 50014 3 62 3 1 . . 19.383 . . 1 . 1 1 45 ALA CB . . . . . . . . . . 137 . 50014 3 63 1 1 . . 8.361 . . 1 . 1 1 46 GLU H . . . . . . . . . . 135 . 50014 3 63 2 1 . . 120.238 . . 1 . 1 1 46 GLU N . . . . . . . . . . 136 . 50014 3 63 3 1 . . 52.506 . . 1 . 1 1 45 ALA CA . . . . . . . . . . 13 . 50014 3 64 1 1 . . 8.397 . . 1 . 1 1 41 ASN H . . . . . . . . . . 138 . 50014 3 64 2 1 . . 119.883 . . 1 . 1 1 41 ASN N . . . . . . . . . . 139 . 50014 3 64 3 2 . . 56.058 . . 1 . 1 1 40 ARG CA . . . . . . . . . . 140 . 50014 3 65 1 1 . . 8.396 . . 1 . 1 1 41 ASN H . . . . . . . . . . 138 . 50014 3 65 2 1 . . 119.874 . . 1 . 1 1 41 ASN N . . . . . . . . . . 139 . 50014 3 65 3 1 . . 30.797 . . 1 . 1 1 40 ARG CB . . . . . . . . . . 142 . 50014 3 66 1 1 . . 8.207 . . 1 . 1 1 40 ARG H . . . . . . . . . . 143 . 50014 3 66 2 1 . . 119.649 . . 1 . 1 1 40 ARG N . . . . . . . . . . 144 . 50014 3 66 3 2 . . 52.487 . . 1 . 1 1 39 ALA CA . . . . . . . . . . 145 . 50014 3 67 1 1 . . 8.207 . . 1 . 1 1 40 ARG H . . . . . . . . . . 143 . 50014 3 67 2 1 . . 119.652 . . 1 . 1 1 40 ARG N . . . . . . . . . . 144 . 50014 3 67 3 1 . . 19.259 . . 1 . 1 1 39 ALA CB . . . . . . . . . . 146 . 50014 3 68 1 1 . . 8.409 . . 1 . 1 1 10 ASN H . . . . . . . . . . 147 . 50014 3 68 2 1 . . 118.673 . . 1 . 1 1 10 ASN N . . . . . . . . . . 148 . 50014 3 68 3 1 . . 57.237 . . 1 . 1 1 9 GLU CA . . . . . . . . . . 189 . 50014 3 69 1 1 . . 8.409 . . 1 . 1 1 10 ASN H . . . . . . . . . . 147 . 50014 3 69 2 1 . . 118.673 . . 1 . 1 1 10 ASN N . . . . . . . . . . 148 . 50014 3 69 3 1 . . 30.052 . . 1 . 1 1 9 GLU CB . . . . . . . . . . 150 . 50014 3 70 1 1 . . 8.256 . . 1 . 1 1 33 ASN H . . . . . . . . . . 151 . 50014 3 70 2 1 . . 117.195 . . 1 . 1 1 33 ASN N . . . . . . . . . . 152 . 50014 3 70 3 1 . . 52.711 . . 1 . 1 1 32 ALA CA . . . . . . . . . . 8 . 50014 3 71 1 1 . . 8.256 . . 1 . 1 1 33 ASN H . . . . . . . . . . 151 . 50014 3 71 2 1 . . 117.194 . . 1 . 1 1 33 ASN N . . . . . . . . . . 152 . 50014 3 71 3 1 . . 19.335 . . 1 . 1 1 32 ALA CB . . . . . . . . . . 154 . 50014 3 72 1 1 . . 8.000 . . 1 . 1 1 14 SER H . . . . . . . . . . 155 . 50014 3 72 2 1 . . 115.900 . . 1 . 1 1 14 SER N . . . . . . . . . . 156 . 50014 3 72 3 1 . . 56.346 . . 1 . 1 1 13 ARG CA . . . . . . . . . . 122 . 50014 3 73 1 1 . . 8.000 . . 1 . 1 1 14 SER H . . . . . . . . . . 155 . 50014 3 73 2 1 . . 115.890 . . 1 . 1 1 14 SER N . . . . . . . . . . 156 . 50014 3 73 3 1 . . 30.558 . . 1 . 1 1 13 ARG CB . . . . . . . . . . 158 . 50014 3 74 1 1 . . 7.394 . . 1 . 1 1 19 GLY H . . . . . . . . . . 159 . 50014 3 74 2 1 . . 108.096 . . 1 . 1 1 19 GLY N . . . . . . . . . . 160 . 50014 3 74 3 1 . . 53.892 . . 1 . 1 1 18 ASP CA . . . . . . . . . . 161 . 50014 3 75 1 1 . . 7.394 . . 1 . 1 1 19 GLY H . . . . . . . . . . 159 . 50014 3 75 2 1 . . 108.097 . . 1 . 1 1 19 GLY N . . . . . . . . . . 160 . 50014 3 75 3 1 . . 40.770 . . 1 . 1 1 18 ASP CB . . . . . . . . . . 162 . 50014 3 76 1 1 . . 8.167 . . 1 . 1 1 36 GLY H . . . . . . . . . . 163 . 50014 3 76 2 1 . . 107.533 . . 1 . 1 1 36 GLY N . . . . . . . . . . 164 . 50014 3 76 3 1 . . 52.862 . . 1 . 1 1 35 ALA CA . . . . . . . . . . 22 . 50014 3 77 1 1 . . 8.168 . . 1 . 1 1 36 GLY H . . . . . . . . . . 163 . 50014 3 77 2 1 . . 107.531 . . 1 . 1 1 36 GLY N . . . . . . . . . . 164 . 50014 3 77 3 1 . . 19.046 . . 1 . 1 1 35 ALA CB . . . . . . . . . . 166 . 50014 3 78 1 1 . . 8.361 . . 1 . 1 1 38 GLY H . . . . . . . . . . 167 . 50014 3 78 2 1 . . 109.280 . . 1 . 1 1 38 GLY N . . . . . . . . . . 168 . 50014 3 78 3 1 . . 42.263 . . 1 . 1 1 37 LEU CB . . . . . . . . . . 184 . 50014 3 79 1 1 . . 8.361 . . 1 . 1 1 38 GLY H . . . . . . . . . . 167 . 50014 3 79 2 1 . . 109.282 . . 1 . 1 1 38 GLY N . . . . . . . . . . 168 . 50014 3 79 3 2 . . 55.516 . . 1 . 1 1 37 LEU CA . . . . . . . . . . 185 . 50014 3 80 1 1 . . 8.259 . . 1 . 1 1 8 GLY H . . . . . . . . . . 169 . 50014 3 80 2 1 . . 109.403 . . 1 . 1 1 8 GLY N . . . . . . . . . . 170 . 50014 3 80 3 3 . . 58.146 . . 1 . 1 1 7 PHE CA . . . . . . . . . . 129 . 50014 3 81 1 1 . . 8.259 . . 1 . 1 1 8 GLY H . . . . . . . . . . 169 . 50014 3 81 2 1 . . 109.403 . . 1 . 1 1 8 GLY N . . . . . . . . . . 170 . 50014 3 81 3 1 . . 39.168 . . 1 . 1 1 7 PHE CB . . . . . . . . . . 176 . 50014 3 82 1 1 . . 8.293 . . 1 . . . . . . . . . . . . . . . . 171 . 50014 3 82 2 1 . . 109.987 . . 1 . . . . . . . . . . . . . . . . 172 . 50014 3 82 3 1 . . 41.194 . . 1 . . . . . . . . . . . . . . . . 179 . 50014 3 83 1 1 . . 8.293 . . 1 . . . . . . . . . . . . . . . . 171 . 50014 3 83 2 1 . . 109.981 . . 1 . . . . . . . . . . . . . . . . 172 . 50014 3 83 3 1 . . 54.357 . . 1 . . . . . . . . . . . . . . . . 178 . 50014 3 84 1 1 . . 8.219 . . 1 . 1 1 16 GLY H . . . . . . . . . . 173 . 50014 3 84 2 1 . . 109.873 . . 1 . 1 1 16 GLY N . . . . . . . . . . 174 . 50014 3 84 3 2 . . 58.025 . . 1 . 1 1 15 PHE CA . . . . . . . . . . 180 . 50014 3 85 1 1 . . 8.219 . . 1 . 1 1 16 GLY H . . . . . . . . . . 173 . 50014 3 85 2 1 . . 109.879 . . 1 . 1 1 16 GLY N . . . . . . . . . . 174 . 50014 3 85 3 1 . . 39.490 . . 1 . 1 1 15 PHE CB . . . . . . . . . . 191 . 50014 3 86 1 1 . . 8.289 . . 1 . 1 1 23 GLY H . . . . . . . . . . 181 . 50014 3 86 2 1 . . 109.713 . . 1 . 1 1 23 GLY N . . . . . . . . . . 182 . 50014 3 86 3 2 . . 56.358 . . 1 . 1 1 22 ARG CA . . . . . . . . . . 188 . 50014 3 87 1 1 . . 8.290 . . 1 . 1 1 23 GLY H . . . . . . . . . . 181 . 50014 3 87 2 1 . . 109.692 . . 1 . 1 1 23 GLY N . . . . . . . . . . 182 . 50014 3 87 3 1 . . 30.690 . . 1 . 1 1 22 ARG CB . . . . . . . . . . 187 . 50014 3 stop_ save_ save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 50014 _Spectral_peak_list.ID 4 _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 . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name . _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions . _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 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 1H . folded 8389.26174497 Hz . . . . . . 50014 4 2 . . N 15 15N . folded 1440.32191306 Hz . . . . . . 50014 4 3 . . C 13 13C . folded 9154.83497851 Hz . . . . . . 50014 4 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 50014 4 2 1.0 . . 50014 4 3 1.0 . . 50014 4 4 1.0 . . 50014 4 5 1.0 . . 50014 4 6 1.0 . . 50014 4 7 1.0 . . 50014 4 8 1.0 . . 50014 4 9 1.0 . . 50014 4 10 1.0 . . 50014 4 11 1.0 . . 50014 4 12 1.0 . . 50014 4 13 1.0 . . 50014 4 14 1.0 . . 50014 4 15 1.0 . . 50014 4 16 1.0 . . 50014 4 17 1.0 . . 50014 4 18 1.0 . . 50014 4 19 1.0 . . 50014 4 20 1.0 . . 50014 4 21 1.0 . . 50014 4 22 1.0 . . 50014 4 23 1.0 . . 50014 4 24 1.0 . . 50014 4 25 1.0 . . 50014 4 26 1.0 . . 50014 4 27 1.0 . . 50014 4 28 1.0 . . 50014 4 29 1.0 . . 50014 4 30 1.0 . . 50014 4 31 1.0 . . 50014 4 32 1.0 . . 50014 4 33 1.0 . . 50014 4 34 1.0 . . 50014 4 35 1.0 . . 50014 4 36 1.0 . . 50014 4 37 1.0 . . 50014 4 38 1.0 . . 50014 4 39 1.0 . . 50014 4 40 1.0 . . 50014 4 41 1.0 . . 50014 4 42 1.0 . . 50014 4 43 1.0 . . 50014 4 44 1.0 . . 50014 4 45 1.0 . . 50014 4 46 1.0 . . 50014 4 47 1.0 . . 50014 4 48 1.0 . . 50014 4 49 1.0 . . 50014 4 50 1.0 . . 50014 4 51 1.0 . . 50014 4 52 1.0 . . 50014 4 53 1.0 . . 50014 4 54 1.0 . . 50014 4 55 1.0 . . 50014 4 56 1.0 . . 50014 4 57 1.0 . . 50014 4 58 1.0 . . 50014 4 59 1.0 . . 50014 4 60 1.0 . . 50014 4 61 1.0 . . 50014 4 62 1.0 . . 50014 4 63 1.0 . . 50014 4 64 1.0 . . 50014 4 65 1.0 . . 50014 4 66 1.0 . . 50014 4 67 1.0 . . 50014 4 68 1.0 . . 50014 4 69 1.0 . . 50014 4 70 1.0 . . 50014 4 71 1.0 . . 50014 4 72 1.0 . . 50014 4 73 1.0 . . 50014 4 74 1.0 . . 50014 4 75 1.0 . . 50014 4 76 1.0 . . 50014 4 77 1.0 . . 50014 4 78 1.0 . . 50014 4 79 1.0 . . 50014 4 80 1.0 . . 50014 4 81 1.0 . . 50014 4 82 1.0 . . 50014 4 83 1.0 . . 50014 4 84 1.0 . . 50014 4 85 1.0 . . 50014 4 86 1.0 . . 50014 4 87 1.0 . . 50014 4 88 1.0 . . 50014 4 89 1.0 . . 50014 4 90 1.0 . . 50014 4 91 1.0 . . 50014 4 92 1.0 . . 50014 4 93 1.0 . . 50014 4 94 1.0 . . 50014 4 95 1.0 . . 50014 4 96 1.0 . . 50014 4 97 1.0 . . 50014 4 98 1.0 . . 50014 4 99 1.0 . . 50014 4 100 1.0 . . 50014 4 101 1.0 . . 50014 4 102 1.0 . . 50014 4 103 1.0 . . 50014 4 104 1.0 . . 50014 4 105 1.0 . . 50014 4 106 1.0 . . 50014 4 107 1.0 . . 50014 4 108 1.0 . . 50014 4 109 1.0 . . 50014 4 110 1.0 . . 50014 4 111 1.0 . . 50014 4 112 1.0 . . 50014 4 113 1.0 . . 50014 4 114 1.0 . . 50014 4 115 1.0 . . 50014 4 116 1.0 . . 50014 4 117 1.0 . . 50014 4 118 1.0 . . 50014 4 119 1.0 . . 50014 4 120 1.0 . . 50014 4 121 1.0 . . 50014 4 122 1.0 . . 50014 4 123 1.0 . . 50014 4 124 1.0 . . 50014 4 125 1.0 . . 50014 4 126 1.0 . . 50014 4 127 1.0 . . 50014 4 128 1.0 . . 50014 4 129 1.0 . . 50014 4 130 1.0 . . 50014 4 131 1.0 . . 50014 4 132 1.0 . . 50014 4 133 1.0 . . 50014 4 134 1.0 . . 50014 4 135 1.0 . . 50014 4 136 1.0 . . 50014 4 137 1.0 . . 50014 4 138 1.0 . . 50014 4 139 1.0 . . 50014 4 140 1.0 . . 50014 4 141 1.0 . . 50014 4 142 1.0 . . 50014 4 143 1.0 . . 50014 4 144 1.0 . . 50014 4 145 1.0 . . 50014 4 146 1.0 . . 50014 4 147 1.0 . . 50014 4 148 1.0 . . 50014 4 149 1.0 . . 50014 4 150 1.0 . . 50014 4 151 1.0 . . 50014 4 152 1.0 . . 50014 4 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 688031.68750 . height 50014 4 1 14807426.12500 . volume 50014 4 2 3605531.25000 . height 50014 4 2 78084666.12500 . volume 50014 4 3 -5273567.00000 . height 50014 4 3 -114716606.25000 . volume 50014 4 4 -772339.37500 . height 50014 4 4 -16642180.21880 . volume 50014 4 5 2143709.00000 . height 50014 4 5 48732527.62500 . volume 50014 4 6 649171.87500 . height 50014 4 6 17390300.15620 . volume 50014 4 7 -2148739.00000 . height 50014 4 7 -47786443.12500 . volume 50014 4 8 1371492.75000 . height 50014 4 8 29595988.50000 . volume 50014 4 9 -2075750.00000 . height 50014 4 9 -46494583.25000 . volume 50014 4 10 -557088.00000 . height 50014 4 10 -12346042.53120 . volume 50014 4 11 581868.25000 . height 50014 4 11 12480906.71880 . volume 50014 4 12 3270157.75000 . height 50014 4 12 71819313.25000 . volume 50014 4 13 946282.87500 . height 50014 4 13 20527390.87500 . volume 50014 4 14 -1074226.50000 . height 50014 4 14 -23233724.50000 . volume 50014 4 15 -2739212.50000 . height 50014 4 15 -61543971.75000 . volume 50014 4 16 -3070429.25000 . height 50014 4 16 -71324409.25000 . volume 50014 4 17 -4552262.50000 . height 50014 4 17 -101338010.25000 . volume 50014 4 18 4731338.50000 . height 50014 4 18 104292257.50000 . volume 50014 4 19 2538650.50000 . height 50014 4 19 61506815.87500 . volume 50014 4 20 -1573710.25000 . height 50014 4 20 -34609015.37500 . volume 50014 4 21 -2889272.25000 . height 50014 4 21 -63044537.37500 . volume 50014 4 22 1026772.75000 . height 50014 4 22 22267739.12500 . volume 50014 4 23 3125704.50000 . height 50014 4 23 68099239.62500 . volume 50014 4 24 2155263.50000 . height 50014 4 24 46738851.25000 . volume 50014 4 25 966972.62500 . height 50014 4 25 21110978.50000 . volume 50014 4 26 -2934624.25000 . height 50014 4 26 -64307372.25000 . volume 50014 4 27 -884244.37500 . height 50014 4 27 -18867683.81250 . volume 50014 4 28 3315629.00000 . height 50014 4 28 71557009.37500 . volume 50014 4 29 3171736.75000 . height 50014 4 29 68488542.12500 . volume 50014 4 30 -3817637.75000 . height 50014 4 30 -84716677.50000 . volume 50014 4 31 -1317491.00000 . height 50014 4 31 -28416313.25000 . volume 50014 4 32 10152611.00000 . height 50014 4 32 218146037.00000 . volume 50014 4 33 1195692.12500 . height 50014 4 33 25927151.50000 . volume 50014 4 34 4614154.50000 . height 50014 4 34 98614102.00000 . volume 50014 4 35 1354806.25000 . height 50014 4 35 28661762.56250 . volume 50014 4 36 -1881601.50000 . height 50014 4 36 -41114077.25000 . volume 50014 4 37 -4869825.50000 . height 50014 4 37 -105418990.00000 . volume 50014 4 38 4503710.50000 . height 50014 4 38 98996769.25000 . volume 50014 4 39 3697307.75000 . height 50014 4 39 82908537.37500 . volume 50014 4 40 -6502354.50000 . height 50014 4 40 -145590819.50000 . volume 50014 4 41 -4791155.00000 . height 50014 4 41 -110399035.50000 . volume 50014 4 42 -1311012.12500 . height 50014 4 42 -28824987.93750 . volume 50014 4 43 -4349389.00000 . height 50014 4 43 -95825878.50000 . volume 50014 4 44 3370732.75000 . height 50014 4 44 73805349.75000 . volume 50014 4 45 1801030.25000 . height 50014 4 45 39525223.93750 . volume 50014 4 46 4472366.50000 . height 50014 4 46 96888099.00000 . volume 50014 4 47 1721157.75000 . height 50014 4 47 36457548.25000 . volume 50014 4 48 -5073197.00000 . height 50014 4 48 -114753324.50000 . volume 50014 4 49 -5073197.00000 . height 50014 4 49 -114753324.50000 . volume 50014 4 50 -1832871.62500 . height 50014 4 50 -41061142.75000 . volume 50014 4 51 -1382426.75000 . height 50014 4 51 -32178939.37500 . volume 50014 4 52 1540321.50000 . height 50014 4 52 33233511.68750 . volume 50014 4 53 2456535.50000 . height 50014 4 53 53523825.50000 . volume 50014 4 54 4465254.00000 . height 50014 4 54 97341673.75000 . volume 50014 4 55 -628236.75000 . height 50014 4 55 -13890271.03120 . volume 50014 4 56 600980.56250 . height 50014 4 56 13085357.96880 . volume 50014 4 57 -2140432.00000 . height 50014 4 57 -47966755.50000 . volume 50014 4 58 2751719.50000 . height 50014 4 58 60829103.37500 . volume 50014 4 59 -3119082.50000 . height 50014 4 59 -68138579.00000 . volume 50014 4 60 2146391.50000 . height 50014 4 60 46652286.50000 . volume 50014 4 61 981838.75000 . height 50014 4 61 21807265.68750 . volume 50014 4 62 -915421.37500 . height 50014 4 62 -20175538.31250 . volume 50014 4 63 5812889.50000 . height 50014 4 63 125510123.00000 . volume 50014 4 64 617511.12500 . height 50014 4 64 13570448.75000 . volume 50014 4 65 -921873.75000 . height 50014 4 65 -19857014.93750 . volume 50014 4 66 2162763.25000 . height 50014 4 66 46419721.75000 . volume 50014 4 67 -2394777.50000 . height 50014 4 67 -54100672.50000 . volume 50014 4 68 2959271.50000 . height 50014 4 68 64273297.50000 . volume 50014 4 69 -1499975.75000 . height 50014 4 69 -34798085.00000 . volume 50014 4 70 1122222.75000 . height 50014 4 70 23306356.06250 . volume 50014 4 71 2324997.50000 . height 50014 4 71 52650847.50000 . volume 50014 4 72 -1707826.87500 . height 50014 4 72 -38428500.87500 . volume 50014 4 73 2118774.25000 . height 50014 4 73 46740268.25000 . volume 50014 4 74 692546.87500 . height 50014 4 74 15166540.03120 . volume 50014 4 75 -271976.28125 . height 50014 4 75 -6475813.12500 . volume 50014 4 76 621105.87500 . height 50014 4 76 13361229.68750 . volume 50014 4 77 -453799.25000 . height 50014 4 77 -10422835.62500 . volume 50014 4 78 3827217.00000 . height 50014 4 78 97357865.75000 . volume 50014 4 79 2074751.37500 . height 50014 4 79 45866197.62500 . volume 50014 4 80 1827614.25000 . height 50014 4 80 41943042.62500 . volume 50014 4 81 -3214401.50000 . height 50014 4 81 -73550097.50000 . volume 50014 4 82 1455482.25000 . height 50014 4 82 31145575.81250 . volume 50014 4 83 4274670.50000 . height 50014 4 83 91989483.50000 . volume 50014 4 84 -4326278.50000 . height 50014 4 84 -97084431.00000 . volume 50014 4 85 1727798.00000 . height 50014 4 85 37835873.37500 . volume 50014 4 86 4017058.75000 . height 50014 4 86 87191237.50000 . volume 50014 4 87 3114035.75000 . height 50014 4 87 67406656.75000 . volume 50014 4 88 2885805.00000 . height 50014 4 88 62033653.62500 . volume 50014 4 89 -3279024.50000 . height 50014 4 89 -70552098.62500 . volume 50014 4 90 785321.37500 . height 50014 4 90 17204303.71880 . volume 50014 4 91 6913587.50000 . height 50014 4 91 149419640.25000 . volume 50014 4 92 -871847.81250 . height 50014 4 92 -18721108.81250 . volume 50014 4 93 -3179167.00000 . height 50014 4 93 -70008332.00000 . volume 50014 4 94 3171654.50000 . height 50014 4 94 68501325.75000 . volume 50014 4 95 4758344.50000 . height 50014 4 95 103726558.25000 . volume 50014 4 96 5605877.50000 . height 50014 4 96 121630087.25000 . volume 50014 4 97 886435.56250 . height 50014 4 97 19277862.56250 . volume 50014 4 98 -943268.75000 . height 50014 4 98 -20419344.68750 . volume 50014 4 99 -3941515.50000 . height 50014 4 99 -84879730.50000 . volume 50014 4 100 -1105804.37500 . height 50014 4 100 -24298243.87500 . volume 50014 4 101 3638053.50000 . height 50014 4 101 79129208.87500 . volume 50014 4 102 1124134.75000 . height 50014 4 102 24609565.56250 . volume 50014 4 103 -2453158.50000 . height 50014 4 103 -54270274.87500 . volume 50014 4 104 2719995.50000 . height 50014 4 104 58878611.75000 . volume 50014 4 105 778430.12500 . height 50014 4 105 17280484.00000 . volume 50014 4 106 -1342445.12500 . height 50014 4 106 -29368242.68750 . volume 50014 4 107 964697.00000 . height 50014 4 107 22364964.37500 . volume 50014 4 108 -1450246.75000 . height 50014 4 108 -32109081.50000 . volume 50014 4 109 -583205.06250 . height 50014 4 109 -12692214.68750 . volume 50014 4 110 2036688.25000 . height 50014 4 110 44097687.00000 . volume 50014 4 111 -661663.37500 . height 50014 4 111 -14366387.12500 . volume 50014 4 112 -2046710.75000 . height 50014 4 112 -44988285.12500 . volume 50014 4 113 2459317.50000 . height 50014 4 113 53331791.87500 . volume 50014 4 114 -2277681.50000 . height 50014 4 114 -50521584.12500 . volume 50014 4 115 -874811.75000 . height 50014 4 115 -19212720.34380 . volume 50014 4 116 1146464.12500 . height 50014 4 116 25739289.43750 . volume 50014 4 117 2525092.25000 . height 50014 4 117 55096229.37500 . volume 50014 4 118 1108317.75000 . height 50014 4 118 23977838.87500 . volume 50014 4 119 -1332638.00000 . height 50014 4 119 -28949858.75000 . volume 50014 4 120 -2133992.50000 . height 50014 4 120 -47211225.37500 . volume 50014 4 121 -475110.96875 . height 50014 4 121 -10834953.53120 . volume 50014 4 122 564521.00000 . height 50014 4 122 12314220.96880 . volume 50014 4 123 -1361996.50000 . height 50014 4 123 -30387976.62500 . volume 50014 4 124 1009432.81250 . height 50014 4 124 22053511.25000 . volume 50014 4 125 -2824892.25000 . height 50014 4 125 -63711736.50000 . volume 50014 4 126 4569188.50000 . height 50014 4 126 98298685.25000 . volume 50014 4 127 1254104.00000 . height 50014 4 127 27367174.37500 . volume 50014 4 128 -1990380.37500 . height 50014 4 128 -43520955.25000 . volume 50014 4 129 -1947665.00000 . height 50014 4 129 -47444367.93750 . volume 50014 4 130 -5094679.00000 . height 50014 4 130 -110357737.25000 . volume 50014 4 131 -1623585.87500 . height 50014 4 131 -35165545.50000 . volume 50014 4 132 5027904.50000 . height 50014 4 132 109794209.25000 . volume 50014 4 133 1857195.25000 . height 50014 4 133 40069553.12500 . volume 50014 4 134 2048034.75000 . height 50014 4 134 43869083.37500 . volume 50014 4 135 4172790.75000 . height 50014 4 135 89656240.00000 . volume 50014 4 136 -2007133.75000 . height 50014 4 136 -43416438.62500 . volume 50014 4 137 -3466447.25000 . height 50014 4 137 -76965873.00000 . volume 50014 4 138 1466845.87500 . height 50014 4 138 32839912.25000 . volume 50014 4 139 -3769654.25000 . height 50014 4 139 -83153903.75000 . volume 50014 4 140 -1594409.25000 . height 50014 4 140 -34978430.25000 . volume 50014 4 141 5491243.00000 . height 50014 4 141 119739383.75000 . volume 50014 4 142 -2601100.50000 . height 50014 4 142 -58907458.37500 . volume 50014 4 143 3790544.00000 . height 50014 4 143 81613506.75000 . volume 50014 4 144 -1933669.50000 . height 50014 4 144 -45206005.12500 . volume 50014 4 145 3116120.75000 . height 50014 4 145 70677389.87500 . volume 50014 4 146 1995539.00000 . height 50014 4 146 44639716.12500 . volume 50014 4 147 3775349.25000 . height 50014 4 147 84847556.50000 . volume 50014 4 148 -4375829.50000 . height 50014 4 148 -99460101.00000 . volume 50014 4 149 -2469856.25000 . height 50014 4 149 -55040411.62500 . volume 50014 4 150 -986637.37500 . height 50014 4 150 -21403161.18750 . volume 50014 4 151 3743754.50000 . height 50014 4 151 82752560.00000 . volume 50014 4 152 -4324680.00000 . height 50014 4 152 -100319496.00000 . volume 50014 4 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.142 . 24.1143791468 . . . . . . . . . . . 50014 4 1 2 124.792 . 24.8188557492 . . . . . . . . . . . 50014 4 1 3 57.751 . 83.2121878121 . . . . . . . . . . . 50014 4 2 1 8.280 . 22.5756342379 . . . . . . . . . . . 50014 4 2 2 121.056 . 24.5032716051 . . . . . . . . . . . 50014 4 2 3 54.431 . 84.5462162239 . . . . . . . . . . . 50014 4 3 1 8.278 . 23.0669225222 . . . . . . . . . . . 50014 4 3 2 121.050 . 24.9642854391 . . . . . . . . . . . 50014 4 3 3 41.197 . 91.4964237625 . . . . . . . . . . . 50014 4 4 1 8.075 . 22.2049803542 . . . . . . . . . . . 50014 4 4 2 121.355 . 24.9746518117 . . . . . . . . . . . 50014 4 4 3 63.718 . 92.4938074649 . . . . . . . . . . . 50014 4 5 1 8.074 . 26.7662107944 . . . . . . . . . . . 50014 4 5 2 121.335 . 27.8944919440 . . . . . . . . . . . 50014 4 5 3 58.111 . 94.9247362705 . . . . . . . . . . . 50014 4 6 1 8.073 . 26.2919238350 . . . . . . . . . . . 50014 4 6 2 121.340 . 29.6749110596 . . . . . . . . . . . 50014 4 6 3 58.558 . 188.9038252410 . . . . . . . . . . . 50014 4 7 1 8.075 . 25.7456312644 . . . . . . . . . . . 50014 4 7 2 121.321 . 27.7662107668 . . . . . . . . . . . 50014 4 7 3 39.489 . 90.8607174123 . . . . . . . . . . . 50014 4 8 1 8.001 . 25.4249812773 . . . . . . . . . . . 50014 4 8 2 115.890 . 23.8566503391 . . . . . . . . . . . 50014 4 8 3 58.571 . 90.8043769139 . . . . . . . . . . . 50014 4 9 1 8.000 . 25.9919004552 . . . . . . . . . . . 50014 4 9 2 115.892 . 25.3739610474 . . . . . . . . . . . 50014 4 9 3 63.742 . 96.6936642196 . . . . . . . . . . . 50014 4 10 1 8.001 . 27.2787507348 . . . . . . . . . . . 50014 4 10 2 115.899 . 23.3343396936 . . . . . . . . . . . 50014 4 10 3 30.515 . 111.4292282830 . . . . . . . . . . . 50014 4 11 1 8.001 . 26.7307080278 . . . . . . . . . . . 50014 4 11 2 115.901 . 23.1151649602 . . . . . . . . . . . 50014 4 11 3 56.393 . 86.6023033720 . . . . . . . . . . . 50014 4 12 1 7.957 . 24.0866269841 . . . . . . . . . . . 50014 4 12 2 120.273 . 25.5517990655 . . . . . . . . . . . 50014 4 12 3 56.400 . 98.1102253228 . . . . . . . . . . . 50014 4 13 1 7.957 . 20.1535704952 . . . . . . . . . . . 50014 4 13 2 120.252 . 22.1235559676 . . . . . . . . . . . 50014 4 13 3 55.814 . 246.2236661250 . . . . . . . . . . . 50014 4 14 1 7.957 . 21.8448272887 . . . . . . . . . . . 50014 4 14 2 120.259 . 23.8618013317 . . . . . . . . . . . 50014 4 14 3 41.864 . 93.7006605022 . . . . . . . . . . . 50014 4 15 1 7.958 . 24.4677816861 . . . . . . . . . . . 50014 4 15 2 120.278 . 26.2872749531 . . . . . . . . . . . 50014 4 15 3 30.502 . 105.0279654560 . . . . . . . . . . . 50014 4 16 1 7.959 . 23.1926823222 . . . . . . . . . . . 50014 4 16 2 120.880 . 26.6964783870 . . . . . . . . . . . 50014 4 16 3 42.119 . 135.5628785870 . . . . . . . . . . . 50014 4 17 1 7.957 . 21.7546952651 . . . . . . . . . . . 50014 4 17 2 120.876 . 25.2571622911 . . . . . . . . . . . 50014 4 17 3 41.883 . 114.4994444030 . . . . . . . . . . . 50014 4 18 1 7.957 . 22.4324980838 . . . . . . . . . . . 50014 4 18 2 120.874 . 26.0740667861 . . . . . . . . . . . 50014 4 18 3 55.829 . 96.3662618075 . . . . . . . . . . . 50014 4 19 1 7.957 . 21.9098323544 . . . . . . . . . . . 50014 4 19 2 120.880 . 25.0019306098 . . . . . . . . . . . 50014 4 19 3 56.077 . 137.9863385250 . . . . . . . . . . . 50014 4 20 1 8.018 . 23.6054644889 . . . . . . . . . . . 50014 4 20 2 122.113 . 25.0875873235 . . . . . . . . . . . 50014 4 20 3 38.415 . 94.2700678639 . . . . . . . . . . . 50014 4 21 1 8.018 . 22.8652818091 . . . . . . . . . . . 50014 4 21 2 122.094 . 24.3779307861 . . . . . . . . . . . 50014 4 21 3 42.088 . 101.2636562220 . . . . . . . . . . . 50014 4 22 1 8.019 . 28.8793754658 . . . . . . . . . . . 50014 4 22 2 122.103 . 25.5137675704 . . . . . . . . . . . 50014 4 22 3 53.947 . 84.3023014268 . . . . . . . . . . . 50014 4 23 1 8.018 . 23.4729541628 . . . . . . . . . . . 50014 4 23 2 122.096 . 24.5693116222 . . . . . . . . . . . 50014 4 23 3 56.025 . 88.8027204168 . . . . . . . . . . . 50014 4 24 1 8.405 . 24.5915413303 . . . . . . . . . . . 50014 4 24 2 118.677 . 24.9103287921 . . . . . . . . . . . 50014 4 24 3 53.973 . 83.2589790735 . . . . . . . . . . . 50014 4 25 1 8.405 . 25.1202075273 . . . . . . . . . . . 50014 4 25 2 118.684 . 25.0597934262 . . . . . . . . . . . 50014 4 25 3 57.272 . 83.0197024773 . . . . . . . . . . . 50014 4 26 1 8.405 . 24.2863925511 . . . . . . . . . . . 50014 4 26 2 118.680 . 24.6892653614 . . . . . . . . . . . 50014 4 26 3 38.448 . 93.7598657717 . . . . . . . . . . . 50014 4 27 1 8.404 . 23.7260988895 . . . . . . . . . . . 50014 4 27 2 118.685 . 23.7238405810 . . . . . . . . . . . 50014 4 27 3 30.066 . 93.9131992347 . . . . . . . . . . . 50014 4 28 1 8.280 . 23.9191139304 . . . . . . . . . . . 50014 4 28 2 120.953 . 25.4178303340 . . . . . . . . . . . 50014 4 28 3 45.677 . 80.3772921762 . . . . . . . . . . . 50014 4 29 1 8.279 . 23.1695555201 . . . . . . . . . . . 50014 4 29 2 120.964 . 24.3837685777 . . . . . . . . . . . 50014 4 29 3 57.278 . 96.8321281564 . . . . . . . . . . . 50014 4 30 1 8.279 . 22.9456630729 . . . . . . . . . . . 50014 4 30 2 120.993 . 25.6123661530 . . . . . . . . . . . 50014 4 30 3 30.084 . 111.1269267230 . . . . . . . . . . . 50014 4 31 1 8.257 . 24.3322711263 . . . . . . . . . . . 50014 4 31 2 109.411 . 23.7649626716 . . . . . . . . . . . 50014 4 31 3 39.132 . 86.6830626336 . . . . . . . . . . . 50014 4 32 1 8.257 . 23.7861035654 . . . . . . . . . . . 50014 4 32 2 109.409 . 24.2047715862 . . . . . . . . . . . 50014 4 32 3 45.702 . 80.1576597247 . . . . . . . . . . . 50014 4 33 1 8.257 . 23.1375530262 . . . . . . . . . . . 50014 4 33 2 109.412 . 24.1078470763 . . . . . . . . . . . 50014 4 33 3 58.191 . 86.5145868091 . . . . . . . . . . . 50014 4 34 1 8.213 . 22.4409987462 . . . . . . . . . . . 50014 4 34 2 120.365 . 24.6020418874 . . . . . . . . . . . 50014 4 34 3 58.180 . 85.0415487899 . . . . . . . . . . . 50014 4 35 1 8.214 . 22.3342404270 . . . . . . . . . . . 50014 4 35 2 120.353 . 23.5912454475 . . . . . . . . . . . 50014 4 35 3 54.392 . 85.5390640386 . . . . . . . . . . . 50014 4 36 1 8.214 . 21.7274431414 . . . . . . . . . . . 50014 4 36 2 120.359 . 24.7094830072 . . . . . . . . . . . 50014 4 36 3 41.129 . 94.1287391560 . . . . . . . . . . . 50014 4 37 1 8.213 . 22.5916354848 . . . . . . . . . . . 50014 4 37 2 120.373 . 24.7226180382 . . . . . . . . . . . 50014 4 37 3 39.150 . 89.2662676653 . . . . . . . . . . . 50014 4 38 1 8.095 . 22.3699932130 . . . . . . . . . . . 50014 4 38 2 120.494 . 24.3726080938 . . . . . . . . . . . 50014 4 38 3 54.329 . 102.3578623670 . . . . . . . . . . . 50014 4 39 1 8.096 . 22.4870023311 . . . . . . . . . . . 50014 4 39 2 120.530 . 24.4187953271 . . . . . . . . . . . 50014 4 39 3 54.132 . 116.0964860860 . . . . . . . . . . . 50014 4 40 1 8.095 . 22.9562889010 . . . . . . . . . . . 50014 4 40 2 120.495 . 25.1540565900 . . . . . . . . . . . 50014 4 40 3 41.168 . 109.4874591440 . . . . . . . . . . . 50014 4 41 1 8.094 . 22.7996516948 . . . . . . . . . . . 50014 4 41 2 120.530 . 25.6105633056 . . . . . . . . . . . 50014 4 41 3 41.405 . 131.3994112460 . . . . . . . . . . . 50014 4 42 1 8.258 . 22.8482804842 . . . . . . . . . . . 50014 4 42 2 123.612 . 24.1558371569 . . . . . . . . . . . 50014 4 42 3 33.083 . 109.0964860970 . . . . . . . . . . . 50014 4 43 1 8.258 . 22.7866506817 . . . . . . . . . . . 50014 4 43 2 123.622 . 24.4349565662 . . . . . . . . . . . 50014 4 43 3 41.326 . 101.6461713740 . . . . . . . . . . . 50014 4 44 1 8.258 . 23.6174654241 . . . . . . . . . . . 50014 4 44 2 123.608 . 24.6740699333 . . . . . . . . . . . 50014 4 44 3 54.117 . 92.1947458241 . . . . . . . . . . . 50014 4 45 1 8.258 . 23.0492961487 . . . . . . . . . . . 50014 4 45 2 123.616 . 25.3872677781 . . . . . . . . . . . 50014 4 45 3 62.027 . 88.8493070517 . . . . . . . . . . . 50014 4 46 1 8.071 . 22.8230285164 . . . . . . . . . . . 50014 4 46 2 120.825 . 25.4541448315 . . . . . . . . . . . 50014 4 46 3 61.999 . 84.3465007525 . . . . . . . . . . . 50014 4 47 1 8.069 . 21.5521794838 . . . . . . . . . . . 50014 4 47 2 120.821 . 24.2086348307 . . . . . . . . . . . 50014 4 47 3 55.608 . 108.6420788320 . . . . . . . . . . . 50014 4 48 1 8.073 . 26.2892986304 . . . . . . . . . . . 50014 4 48 2 120.825 . 25.3948225672 . . . . . . . . . . . 50014 4 48 3 32.976 . 119.7845378410 . . . . . . . . . . . 50014 4 49 1 8.072 . 26.2892986304 . . . . . . . . . . . 50014 4 49 2 120.820 . 25.3948225672 . . . . . . . . . . . 50014 4 49 3 32.922 . 119.7845378410 . . . . . . . . . . . 50014 4 50 1 8.501 . 23.4293257630 . . . . . . . . . . . 50014 4 50 2 120.958 . 23.9319836053 . . . . . . . . . . . 50014 4 50 3 32.887 . 191.8556308210 . . . . . . . . . . . 50014 4 51 1 8.500 . 22.8897837184 . . . . . . . . . . . 50014 4 51 2 120.965 . 24.6097683762 . . . . . . . . . . . 50014 4 51 3 32.416 . 216.1718079700 . . . . . . . . . . . 50014 4 52 1 8.501 . 23.1910571956 . . . . . . . . . . . 50014 4 52 2 120.955 . 24.5637957676 . . . . . . . . . . . 50014 4 52 3 63.044 . 82.3258821990 . . . . . . . . . . . 50014 4 53 1 8.501 . 24.1388810561 . . . . . . . . . . . 50014 4 53 2 120.965 . 24.6253072038 . . . . . . . . . . . 50014 4 53 3 55.602 . 86.7359926903 . . . . . . . . . . . 50014 4 54 1 8.219 . 28.1576942277 . . . . . . . . . . . 50014 4 54 2 109.869 . 25.1741883859 . . . . . . . . . . . 50014 4 54 3 45.297 . 79.2543019026 . . . . . . . . . . . 50014 4 55 1 8.219 . 27.0707345249 . . . . . . . . . . . 50014 4 55 2 109.869 . 23.9859402523 . . . . . . . . . . . 50014 4 55 3 39.496 . 98.4357178875 . . . . . . . . . . . 50014 4 56 1 8.219 . 25.6778759844 . . . . . . . . . . . 50014 4 56 2 109.870 . 23.7266736269 . . . . . . . . . . . 50014 4 56 3 58.105 . 96.6105858576 . . . . . . . . . . . 50014 4 57 1 7.992 . 23.9888693662 . . . . . . . . . . . 50014 4 57 2 121.225 . 25.5011476386 . . . . . . . . . . . 50014 4 57 3 29.370 . 107.7574102310 . . . . . . . . . . . 50014 4 58 1 7.993 . 24.4637813744 . . . . . . . . . . . 50014 4 58 2 121.224 . 26.1226578159 . . . . . . . . . . . 50014 4 58 3 57.750 . 89.6520568409 . . . . . . . . . . . 50014 4 59 1 8.066 . 23.2604376022 . . . . . . . . . . . 50014 4 59 2 122.253 . 24.7455828800 . . . . . . . . . . . 50014 4 59 3 40.751 . 96.9654082217 . . . . . . . . . . . 50014 4 60 1 8.066 . 24.1587576050 . . . . . . . . . . . 50014 4 60 2 122.248 . 24.5889927062 . . . . . . . . . . . 50014 4 60 3 53.906 . 84.7317442574 . . . . . . . . . . . 50014 4 61 1 8.065 . 22.9101603063 . . . . . . . . . . . 50014 4 61 2 122.256 . 24.9246227964 . . . . . . . . . . . 50014 4 61 3 57.729 . 94.4201273028 . . . . . . . . . . . 50014 4 62 1 8.066 . 23.4818298545 . . . . . . . . . . . 50014 4 62 2 122.254 . 24.3142301781 . . . . . . . . . . . 50014 4 62 3 29.361 . 102.7841675910 . . . . . . . . . . . 50014 4 63 1 7.397 . 26.6660779915 . . . . . . . . . . . 50014 4 63 2 108.106 . 24.3351775479 . . . . . . . . . . . 50014 4 63 3 45.677 . 78.6712527737 . . . . . . . . . . . 50014 4 64 1 7.397 . 28.0969394933 . . . . . . . . . . . 50014 4 64 2 108.096 . 23.5318802582 . . . . . . . . . . . 50014 4 64 3 53.904 . 86.0674096812 . . . . . . . . . . . 50014 4 65 1 7.397 . 25.4534834983 . . . . . . . . . . . 50014 4 65 2 108.124 . 22.4014090912 . . . . . . . . . . . 50014 4 65 3 40.778 . 91.9637907058 . . . . . . . . . . . 50014 4 66 1 7.907 . 24.3580231331 . . . . . . . . . . . 50014 4 66 2 120.187 . 24.6102405505 . . . . . . . . . . . 50014 4 66 3 45.664 . 79.3156898549 . . . . . . . . . . . 50014 4 67 1 7.908 . 24.8489363882 . . . . . . . . . . . 50014 4 67 2 120.193 . 25.3555033240 . . . . . . . . . . . 50014 4 67 3 32.756 . 114.9962775630 . . . . . . . . . . . 50014 4 68 1 7.907 . 25.8330130737 . . . . . . . . . . . 50014 4 68 2 120.191 . 24.6755723062 . . . . . . . . . . . 50014 4 68 3 56.622 . 85.6813476702 . . . . . . . . . . . 50014 4 69 1 8.279 . 23.8923618457 . . . . . . . . . . . 50014 4 69 2 120.318 . 27.3072573297 . . . . . . . . . . . 50014 4 69 3 32.637 . 141.9447701050 . . . . . . . . . . . 50014 4 70 1 8.279 . 23.9108632875 . . . . . . . . . . . 50014 4 70 2 120.323 . 23.5408515703 . . . . . . . . . . . 50014 4 70 3 56.636 . 80.6048368526 . . . . . . . . . . . 50014 4 71 1 8.278 . 24.2662659827 . . . . . . . . . . . 50014 4 71 2 120.309 . 27.7720914833 . . . . . . . . . . . 50014 4 71 3 55.566 . 95.4462610295 . . . . . . . . . . . 50014 4 72 1 8.201 . 51.4812617494 . . . . . . . . . . . 50014 4 72 2 122.095 . 25.6259948208 . . . . . . . . . . . 50014 4 72 3 30.652 . 105.5261627930 . . . . . . . . . . . 50014 4 73 1 8.201 . 53.4210379092 . . . . . . . . . . . 50014 4 73 2 122.095 . 25.6879784313 . . . . . . . . . . . 50014 4 73 3 56.423 . 89.1310777526 . . . . . . . . . . . 50014 4 74 1 8.200 . 24.5295364985 . . . . . . . . . . . 50014 4 74 2 122.077 . 24.0948408200 . . . . . . . . . . . 50014 4 74 3 55.592 . 93.9082881985 . . . . . . . . . . . 50014 4 75 1 8.206 . 68.1705622865 . . . . . . . . . . . 50014 4 75 2 122.130 . 25.1385821499 . . . . . . . . . . . 50014 4 75 3 32.650 . 143.4066218750 . . . . . . . . . . . 50014 4 76 1 8.285 . 22.3972453367 . . . . . . . . . . . 50014 4 76 2 109.675 . 25.8785007685 . . . . . . . . . . . 50014 4 76 3 56.486 . 84.4909670668 . . . . . . . . . . . 50014 4 77 1 8.287 . 23.7119727887 . . . . . . . . . . . 50014 4 77 2 109.679 . 28.5013003299 . . . . . . . . . . . 50014 4 77 3 30.624 . 97.3351001121 . . . . . . . . . . . 50014 4 78 1 8.287 . 29.0192613666 . . . . . . . . . . . 50014 4 78 2 109.683 . 46.8872531714 . . . . . . . . . . . 50014 4 78 3 45.254 . 94.3096289887 . . . . . . . . . . . 50014 4 79 1 8.090 . 25.6579994355 . . . . . . . . . . . 50014 4 79 2 120.845 . 27.0843481267 . . . . . . . . . . . 50014 4 79 3 45.176 . 81.4694520559 . . . . . . . . . . . 50014 4 80 1 8.088 . 30.4768749531 . . . . . . . . . . . 50014 4 80 2 120.837 . 27.0875245721 . . . . . . . . . . . 50014 4 80 3 56.251 . 98.3871531964 . . . . . . . . . . . 50014 4 81 1 8.047 . 23.7198484024 . . . . . . . . . . . 50014 4 81 2 121.284 . 25.2962669096 . . . . . . . . . . . 50014 4 81 3 32.778 . 147.6219279310 . . . . . . . . . . . 50014 4 82 1 8.047 . 22.7362717558 . . . . . . . . . . . 50014 4 82 2 121.277 . 24.1871723617 . . . . . . . . . . . 50014 4 82 3 56.217 . 84.6014653809 . . . . . . . . . . . 50014 4 83 1 8.047 . 23.2733136055 . . . . . . . . . . . 50014 4 83 2 121.282 . 25.0321497661 . . . . . . . . . . . 50014 4 83 3 62.442 . 83.7427161374 . . . . . . . . . . . 50014 4 84 1 8.280 . 23.1046754642 . . . . . . . . . . . 50014 4 84 2 124.641 . 27.2238756377 . . . . . . . . . . . 50014 4 84 3 32.842 . 115.1250558450 . . . . . . . . . . . 50014 4 85 1 8.281 . 22.7706494347 . . . . . . . . . . . 50014 4 85 2 124.654 . 27.7100864103 . . . . . . . . . . . 50014 4 85 3 62.448 . 85.5870148502 . . . . . . . . . . . 50014 4 86 1 8.280 . 22.4244974604 . . . . . . . . . . . 50014 4 86 2 124.644 . 27.1450332578 . . . . . . . . . . . 50014 4 86 3 56.397 . 86.0715022113 . . . . . . . . . . . 50014 4 87 1 7.998 . 23.6660942135 . . . . . . . . . . . 50014 4 87 2 123.570 . 24.6195552621 . . . . . . . . . . . 50014 4 87 3 52.518 . 84.3358601741 . . . . . . . . . . . 50014 4 88 1 7.998 . 23.8977372646 . . . . . . . . . . . 50014 4 88 2 123.561 . 24.8453189735 . . . . . . . . . . . 50014 4 88 3 45.301 . 78.9121663819 . . . . . . . . . . . 50014 4 89 1 7.998 . 23.3024408753 . . . . . . . . . . . 50014 4 89 2 123.564 . 24.3978694198 . . . . . . . . . . . 50014 4 89 3 19.244 . 84.3437723990 . . . . . . . . . . . 50014 4 90 1 8.359 . 28.3784614313 . . . . . . . . . . . 50014 4 90 2 109.287 . 24.1830515676 . . . . . . . . . . . 50014 4 90 3 55.534 . 89.4344706545 . . . . . . . . . . . 50014 4 91 1 8.356 . 25.9610230491 . . . . . . . . . . . 50014 4 91 2 109.289 . 25.1046499864 . . . . . . . . . . . 50014 4 91 3 45.312 . 78.2194374449 . . . . . . . . . . . 50014 4 92 1 8.358 . 24.4566558191 . . . . . . . . . . . 50014 4 92 2 109.270 . 24.5833695394 . . . . . . . . . . . 50014 4 92 3 42.216 . 88.5328862621 . . . . . . . . . . . 50014 4 93 1 7.988 . 23.0097930703 . . . . . . . . . . . 50014 4 93 2 121.396 . 25.1336028571 . . . . . . . . . . . 50014 4 93 3 42.255 . 97.8553971120 . . . . . . . . . . . 50014 4 94 1 7.987 . 22.4304979280 . . . . . . . . . . . 50014 4 94 2 121.410 . 25.7517005017 . . . . . . . . . . . 50014 4 94 3 55.548 . 84.1847093938 . . . . . . . . . . . 50014 4 95 1 7.989 . 24.0248721718 . . . . . . . . . . . 50014 4 95 2 121.335 . 27.4975865048 . . . . . . . . . . . 50014 4 95 3 45.361 . 80.2588816371 . . . . . . . . . . . 50014 4 96 1 8.169 . 25.9365211397 . . . . . . . . . . . 50014 4 96 2 107.528 . 24.8495900048 . . . . . . . . . . . 50014 4 96 3 45.394 . 79.3757136304 . . . . . . . . . . . 50014 4 97 1 8.168 . 25.8072610669 . . . . . . . . . . . 50014 4 97 2 107.520 . 24.6119575481 . . . . . . . . . . . 50014 4 97 3 52.938 . 81.1758812264 . . . . . . . . . . . 50014 4 98 1 8.167 . 24.9486941619 . . . . . . . . . . . 50014 4 98 2 107.533 . 23.6716438563 . . . . . . . . . . . 50014 4 98 3 19.016 . 86.0899185970 . . . . . . . . . . . 50014 4 99 1 8.135 . 22.7443973890 . . . . . . . . . . . 50014 4 99 2 123.634 . 24.6326688307 . . . . . . . . . . . 50014 4 99 3 19.024 . 85.4602146244 . . . . . . . . . . . 50014 4 100 1 8.135 . 23.3651957656 . . . . . . . . . . . 50014 4 100 2 123.650 . 24.1528109488 . . . . . . . . . . . 50014 4 100 3 42.094 . 98.2635587858 . . . . . . . . . . . 50014 4 101 1 8.135 . 23.4360762891 . . . . . . . . . . . 50014 4 101 2 123.633 . 24.7439517324 . . . . . . . . . . . 50014 4 101 3 52.909 . 85.0171300266 . . . . . . . . . . . 50014 4 102 1 8.136 . 23.5774623068 . . . . . . . . . . . 50014 4 102 2 123.636 . 24.1798321973 . . . . . . . . . . . 50014 4 102 3 55.486 . 93.3720303310 . . . . . . . . . . . 50014 4 103 1 8.096 . 23.2393109558 . . . . . . . . . . . 50014 4 103 2 122.484 . 24.6364033003 . . . . . . . . . . . 50014 4 103 3 42.083 . 102.7527915270 . . . . . . . . . . . 50014 4 104 1 8.094 . 23.8248565853 . . . . . . . . . . . 50014 4 104 2 122.475 . 24.6215512717 . . . . . . . . . . . 50014 4 104 3 55.477 . 84.2451424224 . . . . . . . . . . . 50014 4 105 1 8.094 . 23.4662036368 . . . . . . . . . . . 50014 4 105 2 122.465 . 24.0759967723 . . . . . . . . . . . 50014 4 105 3 53.257 . 92.4963652962 . . . . . . . . . . . 50014 4 106 1 8.095 . 24.6342946619 . . . . . . . . . . . 50014 4 106 2 122.481 . 24.7959982197 . . . . . . . . . . . 50014 4 106 3 38.503 . 92.0388204253 . . . . . . . . . . . 50014 4 107 1 8.255 . 27.5440214064 . . . . . . . . . . . 50014 4 107 2 117.180 . 25.3768799431 . . . . . . . . . . . 50014 4 107 3 53.207 . 151.8186811840 . . . . . . . . . . . 50014 4 108 1 8.253 . 26.7988383370 . . . . . . . . . . . 50014 4 108 2 117.195 . 25.4862097602 . . . . . . . . . . . 50014 4 108 3 38.519 . 92.0699236544 . . . . . . . . . . . 50014 4 109 1 8.254 . 24.7338024162 . . . . . . . . . . . 50014 4 109 2 117.186 . 25.6389796145 . . . . . . . . . . . 50014 4 109 3 19.298 . 81.3818719107 . . . . . . . . . . . 50014 4 110 1 8.142 . 24.8190590599 . . . . . . . . . . . 50014 4 110 2 124.789 . 24.5674765811 . . . . . . . . . . . 50014 4 110 3 52.750 . 84.1866192412 . . . . . . . . . . . 50014 4 111 1 8.142 . 23.6628439602 . . . . . . . . . . . 50014 4 111 2 124.798 . 22.8086916341 . . . . . . . . . . . 50014 4 111 3 38.701 . 94.0736264166 . . . . . . . . . . . 50014 4 112 1 8.142 . 25.3242234256 . . . . . . . . . . . 50014 4 112 2 124.792 . 25.7212452582 . . . . . . . . . . . 50014 4 112 3 19.315 . 85.7265019196 . . . . . . . . . . . 50014 4 113 1 8.121 . 24.0888771595 . . . . . . . . . . . 50014 4 113 2 120.631 . 24.6785770518 . . . . . . . . . . . 50014 4 113 3 57.757 . 85.9339931982 . . . . . . . . . . . 50014 4 114 1 8.122 . 24.1148791857 . . . . . . . . . . . 50014 4 114 2 120.623 . 24.7672170488 . . . . . . . . . . . 50014 4 114 3 38.683 . 96.1051583839 . . . . . . . . . . . 50014 4 115 1 8.121 . 26.0315285433 . . . . . . . . . . . 50014 4 115 2 120.613 . 24.2624627029 . . . . . . . . . . . 50014 4 115 3 30.833 . 91.3807415769 . . . . . . . . . . . 50014 4 116 1 8.112 . 43.3676294832 . . . . . . . . . . . 50014 4 116 2 120.681 . 25.5254860785 . . . . . . . . . . . 50014 4 116 3 56.223 . 87.1487925649 . . . . . . . . . . . 50014 4 117 1 8.207 . 24.2142619303 . . . . . . . . . . . 50014 4 117 2 119.651 . 25.4661638142 . . . . . . . . . . . 50014 4 117 3 56.105 . 88.2570497299 . . . . . . . . . . . 50014 4 118 1 8.206 . 23.2424361994 . . . . . . . . . . . 50014 4 118 2 119.657 . 25.2294757061 . . . . . . . . . . . 50014 4 118 3 52.487 . 81.7521094717 . . . . . . . . . . . 50014 4 119 1 8.207 . 24.0976278414 . . . . . . . . . . . 50014 4 119 2 119.656 . 25.2648887799 . . . . . . . . . . . 50014 4 119 3 19.213 . 83.8935940824 . . . . . . . . . . . 50014 4 120 1 8.207 . 23.9554917652 . . . . . . . . . . . 50014 4 120 2 119.667 . 25.4577505263 . . . . . . . . . . . 50014 4 120 3 30.728 . 108.3161770150 . . . . . . . . . . . 50014 4 121 1 8.392 . 27.6300281086 . . . . . . . . . . . 50014 4 121 2 119.878 . 26.7546416780 . . . . . . . . . . . 50014 4 121 3 30.737 . 100.1103812250 . . . . . . . . . . . 50014 4 122 1 8.392 . 25.1009560271 . . . . . . . . . . . 50014 4 122 2 119.870 . 24.8599349149 . . . . . . . . . . . 50014 4 122 3 56.122 . 87.4873812261 . . . . . . . . . . . 50014 4 123 1 8.392 . 26.8767194060 . . . . . . . . . . . 50014 4 123 2 119.871 . 26.0002788176 . . . . . . . . . . . 50014 4 123 3 38.785 . 94.9707090258 . . . . . . . . . . . 50014 4 124 1 8.392 . 25.8841420580 . . . . . . . . . . . 50014 4 124 2 119.875 . 24.5901087546 . . . . . . . . . . . 50014 4 124 3 53.231 . 85.3669049369 . . . . . . . . . . . 50014 4 125 1 7.979 . 22.9972920962 . . . . . . . . . . . 50014 4 125 2 120.208 . 25.8311974869 . . . . . . . . . . . 50014 4 125 3 32.732 . 128.4694324930 . . . . . . . . . . . 50014 4 126 1 7.979 . 22.5193798542 . . . . . . . . . . . 50014 4 126 2 120.212 . 25.1370583146 . . . . . . . . . . . 50014 4 126 3 62.431 . 84.4121858614 . . . . . . . . . . . 50014 4 127 1 7.980 . 22.3329903295 . . . . . . . . . . . 50014 4 127 2 120.218 . 25.2948074617 . . . . . . . . . . . 50014 4 127 3 53.199 . 94.4116694071 . . . . . . . . . . . 50014 4 128 1 7.979 . 22.3408659433 . . . . . . . . . . . 50014 4 128 2 120.215 . 25.0348969621 . . . . . . . . . . . 50014 4 128 3 38.782 . 94.4528675440 . . . . . . . . . . . 50014 4 129 1 8.089 . 40.7479253391 . . . . . . . . . . . 50014 4 129 2 120.832 . 26.2963321150 . . . . . . . . . . . 50014 4 129 3 33.156 . 111.9001420860 . . . . . . . . . . . 50014 4 130 1 8.225 . 22.0713449405 . . . . . . . . . . . 50014 4 130 2 124.437 . 24.5859664981 . . . . . . . . . . . 50014 4 130 3 19.365 . 90.1889967968 . . . . . . . . . . . 50014 4 131 1 8.225 . 22.0180907906 . . . . . . . . . . . 50014 4 131 2 124.435 . 24.2281227525 . . . . . . . . . . . 50014 4 131 3 30.190 . 96.0123943671 . . . . . . . . . . . 50014 4 132 1 8.225 . 22.5533825039 . . . . . . . . . . . 50014 4 132 2 124.438 . 24.6971635500 . . . . . . . . . . . 50014 4 132 3 52.534 . 90.0220215666 . . . . . . . . . . . 50014 4 133 1 8.226 . 21.9230833870 . . . . . . . . . . . 50014 4 133 2 124.429 . 24.3908404612 . . . . . . . . . . . 50014 4 133 3 56.635 . 87.9258276230 . . . . . . . . . . . 50014 4 134 1 8.358 . 23.2024330821 . . . . . . . . . . . 50014 4 134 2 120.244 . 23.8742924886 . . . . . . . . . . . 50014 4 134 3 52.522 . 82.1373529767 . . . . . . . . . . . 50014 4 135 1 8.357 . 23.0840488568 . . . . . . . . . . . 50014 4 135 2 120.242 . 24.3329025262 . . . . . . . . . . . 50014 4 135 3 56.562 . 83.4215889382 . . . . . . . . . . . 50014 4 136 1 8.358 . 23.4428268151 . . . . . . . . . . . 50014 4 136 2 120.249 . 23.7798576250 . . . . . . . . . . . 50014 4 136 3 19.358 . 90.0072884581 . . . . . . . . . . . 50014 4 137 1 8.358 . 23.1788062409 . . . . . . . . . . . 50014 4 137 2 120.242 . 24.5839704885 . . . . . . . . . . . 50014 4 137 3 30.182 . 113.8787439970 . . . . . . . . . . . 50014 4 138 1 8.279 . 23.2774389270 . . . . . . . . . . . 50014 4 138 2 121.056 . 24.0001054819 . . . . . . . . . . . 50014 4 138 3 56.598 . 240.0800962800 . . . . . . . . . . . 50014 4 139 1 8.359 . 23.2401860240 . . . . . . . . . . . 50014 4 139 2 122.432 . 24.6989020100 . . . . . . . . . . . 50014 4 139 3 30.173 . 103.7107164170 . . . . . . . . . . . 50014 4 140 1 8.358 . 23.1318025781 . . . . . . . . . . . 50014 4 140 2 122.434 . 24.4631582505 . . . . . . . . . . . 50014 4 140 3 32.952 . 98.5612221455 . . . . . . . . . . . 50014 4 141 1 8.359 . 22.9625393880 . . . . . . . . . . . 50014 4 141 2 122.428 . 24.7199566921 . . . . . . . . . . . 50014 4 141 3 56.606 . 95.3424471813 . . . . . . . . . . . 50014 4 142 1 8.166 . 24.2745166257 . . . . . . . . . . . 50014 4 142 2 122.317 . 26.6077525401 . . . . . . . . . . . 50014 4 142 3 32.663 . 123.9321807320 . . . . . . . . . . . 50014 4 143 1 8.166 . 24.3228953957 . . . . . . . . . . . 50014 4 143 2 122.334 . 24.5009107335 . . . . . . . . . . . 50014 4 143 3 62.508 . 82.9875761156 . . . . . . . . . . . 50014 4 144 1 8.164 . 44.5159689692 . . . . . . . . . . . 50014 4 144 2 122.236 . 27.6767766584 . . . . . . . . . . . 50014 4 144 3 30.577 . 149.7756901320 . . . . . . . . . . . 50014 4 145 1 8.164 . 31.1516775381 . . . . . . . . . . . 50014 4 145 2 122.227 . 27.8581774464 . . . . . . . . . . . 50014 4 145 3 56.328 . 101.7505308930 . . . . . . . . . . . 50014 4 146 1 8.302 . 23.4904555266 . . . . . . . . . . . 50014 4 146 2 125.123 . 29.3312325436 . . . . . . . . . . . 50014 4 146 3 62.487 . 89.9378518632 . . . . . . . . . . . 50014 4 147 1 8.302 . 24.9071909277 . . . . . . . . . . . 50014 4 147 2 125.141 . 29.8652402347 . . . . . . . . . . . 50014 4 147 3 56.430 . 97.4693351010 . . . . . . . . . . . 50014 4 148 1 8.305 . 24.3905256659 . . . . . . . . . . . 50014 4 148 2 125.091 . 28.0242540315 . . . . . . . . . . . 50014 4 148 3 32.964 . 124.0642330380 . . . . . . . . . . . 50014 4 149 1 8.286 . 24.1942603716 . . . . . . . . . . . 50014 4 149 2 122.823 . 25.3600104425 . . . . . . . . . . . 50014 4 149 3 30.403 . 106.7430084240 . . . . . . . . . . . 50014 4 150 1 8.287 . 22.8267788087 . . . . . . . . . . . 50014 4 150 2 122.798 . 23.3550939011 . . . . . . . . . . . 50014 4 150 3 32.959 . 97.4076743134 . . . . . . . . . . . 50014 4 151 1 8.286 . 24.4242782961 . . . . . . . . . . . 50014 4 151 2 122.812 . 26.6660231435 . . . . . . . . . . . 50014 4 151 3 56.449 . 90.5702841892 . . . . . . . . . . . 50014 4 152 1 8.302 . 24.5845407848 . . . . . . . . . . . 50014 4 152 2 125.095 . 28.3077088596 . . . . . . . . . . . 50014 4 152 3 32.802 . 131.5710246770 . . . . . . . . . . . 50014 4 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.142 . . 1 . 1 1 32 ALA H . . . . . . . . . . 5 . 50014 4 1 2 1 . . 124.792 . . 1 . 1 1 32 ALA N . . . . . . . . . . 6 . 50014 4 1 3 1 . . 57.751 . . 1 . 1 1 31 TYR CA . . . . . . . . . . 111 . 50014 4 2 1 1 . . 8.280 . . 1 . 1 1 47 ASP H . . . . . . . . . . 85 . 50014 4 2 2 1 . . 121.056 . . 1 . 1 1 47 ASP N . . . . . . . . . . 86 . 50014 4 2 3 1 . . 54.431 . . 1 . 1 1 47 ASP CA . . . . . . . . . . 96 . 50014 4 3 1 1 . . 8.278 . . 1 . 1 1 47 ASP H . . . . . . . . . . 85 . 50014 4 3 2 1 . . 121.050 . . 1 . 1 1 47 ASP N . . . . . . . . . . 86 . 50014 4 3 3 1 . . 41.197 . . 1 . 1 1 47 ASP CB . . . . . . . . . . 186 . 50014 4 4 1 1 . . 8.075 . . 1 . 1 1 15 PHE H . . . . . . . . . . 80 . 50014 4 4 2 1 . . 121.355 . . 1 . 1 1 15 PHE N . . . . . . . . . . 81 . 50014 4 4 3 1 . . 63.718 . . 1 . 1 1 14 SER CB . . . . . . . . . . 82 . 50014 4 5 1 1 . . 8.074 . . 1 . 1 1 15 PHE H . . . . . . . . . . 80 . 50014 4 5 2 1 . . 121.335 . . 1 . 1 1 15 PHE N . . . . . . . . . . 81 . 50014 4 5 3 1 . . 58.111 . . 1 . 1 1 15 PHE CA . . . . . . . . . . 180 . 50014 4 6 1 1 . . 8.073 . . 1 . 1 1 15 PHE H . . . . . . . . . . 80 . 50014 4 6 2 1 . . 121.340 . . 1 . 1 1 15 PHE N . . . . . . . . . . 81 . 50014 4 6 3 1 . . 58.558 . . 1 . 1 1 14 SER CA . . . . . . . . . . 157 . 50014 4 7 1 1 . . 8.075 . . 1 . 1 1 15 PHE H . . . . . . . . . . 80 . 50014 4 7 2 1 . . 121.321 . . 1 . 1 1 15 PHE N . . . . . . . . . . 81 . 50014 4 7 3 2 . . 39.489 . . 1 . 1 1 15 PHE CB . . . . . . . . . . 191 . 50014 4 8 1 1 . . 8.001 . . 1 . 1 1 14 SER H . . . . . . . . . . 155 . 50014 4 8 2 1 . . 115.890 . . 1 . 1 1 14 SER N . . . . . . . . . . 156 . 50014 4 8 3 1 . . 58.571 . . 1 . 1 1 14 SER CA . . . . . . . . . . 157 . 50014 4 9 1 1 . . 8.000 . . 1 . 1 1 14 SER H . . . . . . . . . . 155 . 50014 4 9 2 1 . . 115.892 . . 1 . 1 1 14 SER N . . . . . . . . . . 156 . 50014 4 9 3 1 . . 63.742 . . 1 . 1 1 14 SER CB . . . . . . . . . . 82 . 50014 4 10 1 1 . . 8.001 . . 1 . 1 1 14 SER H . . . . . . . . . . 155 . 50014 4 10 2 1 . . 115.899 . . 1 . 1 1 14 SER N . . . . . . . . . . 156 . 50014 4 10 3 1 . . 30.515 . . 1 . 1 1 13 ARG CB . . . . . . . . . . 158 . 50014 4 11 1 1 . . 8.001 . . 1 . 1 1 14 SER H . . . . . . . . . . 155 . 50014 4 11 2 1 . . 115.901 . . 1 . 1 1 14 SER N . . . . . . . . . . 156 . 50014 4 11 3 1 . . 56.393 . . 1 . 1 1 13 ARG CA . . . . . . . . . . 122 . 50014 4 12 1 1 . . 7.957 . . 1 . 1 1 13 ARG H . . . . . . . . . . 120 . 50014 4 12 2 1 . . 120.273 . . 1 . 1 1 13 ARG N . . . . . . . . . . 121 . 50014 4 12 3 1 . . 56.400 . . 1 . 1 1 13 ARG CA . . . . . . . . . . 122 . 50014 4 13 1 1 . . 7.957 . . 1 . 1 1 13 ARG H . . . . . . . . . . 120 . 50014 4 13 2 1 . . 120.252 . . 1 . 1 1 13 ARG N . . . . . . . . . . 121 . 50014 4 13 3 1 . . 55.814 . . 1 . 1 1 12 LEU CA . . . . . . . . . . 99 . 50014 4 14 1 1 . . 7.957 . . 1 . 1 1 13 ARG H . . . . . . . . . . 120 . 50014 4 14 2 1 . . 120.259 . . 1 . 1 1 13 ARG N . . . . . . . . . . 121 . 50014 4 14 3 1 . . 41.864 . . 1 . 1 1 12 LEU CB . . . . . . . . . . 123 . 50014 4 15 1 1 . . 7.958 . . 1 . 1 1 13 ARG H . . . . . . . . . . 120 . 50014 4 15 2 1 . . 120.278 . . 1 . 1 1 13 ARG N . . . . . . . . . . 121 . 50014 4 15 3 1 . . 30.502 . . 1 . 1 1 13 ARG CB . . . . . . . . . . 158 . 50014 4 16 1 1 . . 7.959 . . 1 . 1 1 12 LEU H . . . . . . . . . . 97 . 50014 4 16 2 1 . . 120.880 . . 1 . 1 1 12 LEU N . . . . . . . . . . 98 . 50014 4 16 3 1 . . 42.119 . . 1 . 1 1 11 LEU CB . . . . . . . . . . 100 . 50014 4 17 1 1 . . 7.957 . . 1 . 1 1 12 LEU H . . . . . . . . . . 97 . 50014 4 17 2 1 . . 120.876 . . 1 . 1 1 12 LEU N . . . . . . . . . . 98 . 50014 4 17 3 1 . . 41.883 . . 1 . 1 1 12 LEU CB . . . . . . . . . . 123 . 50014 4 18 1 1 . . 7.957 . . 1 . 1 1 12 LEU H . . . . . . . . . . 97 . 50014 4 18 2 1 . . 120.874 . . 1 . 1 1 12 LEU N . . . . . . . . . . 98 . 50014 4 18 3 1 . . 55.829 . . 1 . 1 1 12 LEU CA . . . . . . . . . . 99 . 50014 4 19 1 1 . . 7.957 . . 1 . 1 1 12 LEU H . . . . . . . . . . 97 . 50014 4 19 2 1 . . 120.880 . . 1 . 1 1 12 LEU N . . . . . . . . . . 98 . 50014 4 19 3 1 . . 56.077 . . 1 . 1 1 11 LEU CA . . . . . . . . . . 50 . 50014 4 20 1 1 . . 8.018 . . 1 . 1 1 11 LEU H . . . . . . . . . . 47 . 50014 4 20 2 1 . . 122.113 . . 1 . 1 1 11 LEU N . . . . . . . . . . 48 . 50014 4 20 3 1 . . 38.415 . . 1 . 1 1 10 ASN CB . . . . . . . . . . 49 . 50014 4 21 1 1 . . 8.018 . . 1 . 1 1 11 LEU H . . . . . . . . . . 47 . 50014 4 21 2 1 . . 122.094 . . 1 . 1 1 11 LEU N . . . . . . . . . . 48 . 50014 4 21 3 1 . . 42.088 . . 1 . 1 1 11 LEU CB . . . . . . . . . . 100 . 50014 4 22 1 1 . . 8.019 . . 1 . 1 1 11 LEU H . . . . . . . . . . 47 . 50014 4 22 2 1 . . 122.103 . . 1 . 1 1 11 LEU N . . . . . . . . . . 48 . 50014 4 22 3 1 . . 53.947 . . 1 . 1 1 10 ASN CA . . . . . . . . . . 149 . 50014 4 23 1 1 . . 8.018 . . 1 . 1 1 11 LEU H . . . . . . . . . . 47 . 50014 4 23 2 1 . . 122.096 . . 1 . 1 1 11 LEU N . . . . . . . . . . 48 . 50014 4 23 3 1 . . 56.025 . . 1 . 1 1 11 LEU CA . . . . . . . . . . 50 . 50014 4 24 1 1 . . 8.405 . . 1 . 1 1 10 ASN H . . . . . . . . . . 147 . 50014 4 24 2 1 . . 118.677 . . 1 . 1 1 10 ASN N . . . . . . . . . . 148 . 50014 4 24 3 1 . . 53.973 . . 1 . 1 1 10 ASN CA . . . . . . . . . . 149 . 50014 4 25 1 1 . . 8.405 . . 1 . 1 1 10 ASN H . . . . . . . . . . 147 . 50014 4 25 2 1 . . 118.684 . . 1 . 1 1 10 ASN N . . . . . . . . . . 148 . 50014 4 25 3 1 . . 57.272 . . 1 . 1 1 9 GLU CA . . . . . . . . . . 189 . 50014 4 26 1 1 . . 8.405 . . 1 . 1 1 10 ASN H . . . . . . . . . . 147 . 50014 4 26 2 1 . . 118.680 . . 1 . 1 1 10 ASN N . . . . . . . . . . 148 . 50014 4 26 3 1 . . 38.448 . . 1 . 1 1 10 ASN CB . . . . . . . . . . 49 . 50014 4 27 1 1 . . 8.404 . . 1 . 1 1 10 ASN H . . . . . . . . . . 147 . 50014 4 27 2 1 . . 118.685 . . 1 . 1 1 10 ASN N . . . . . . . . . . 148 . 50014 4 27 3 1 . . 30.066 . . 1 . 1 1 9 GLU CB . . . . . . . . . . 150 . 50014 4 28 1 1 . . 8.280 . . 1 . 1 1 9 GLU H . . . . . . . . . . 83 . 50014 4 28 2 1 . . 120.953 . . 1 . 1 1 9 GLU N . . . . . . . . . . 84 . 50014 4 28 3 1 . . 45.677 . . 1 . 1 1 8 GLY CA . . . . . . . . . . 175 . 50014 4 29 1 1 . . 8.279 . . 1 . 1 1 9 GLU H . . . . . . . . . . 83 . 50014 4 29 2 1 . . 120.964 . . 1 . 1 1 9 GLU N . . . . . . . . . . 84 . 50014 4 29 3 1 . . 57.278 . . 1 . 1 1 9 GLU CA . . . . . . . . . . 189 . 50014 4 30 1 1 . . 8.279 . . 1 . 1 1 9 GLU H . . . . . . . . . . 83 . 50014 4 30 2 1 . . 120.993 . . 1 . 1 1 9 GLU N . . . . . . . . . . 84 . 50014 4 30 3 1 . . 30.084 . . 1 . 1 1 9 GLU CB . . . . . . . . . . 150 . 50014 4 31 1 1 . . 8.257 . . 1 . 1 1 8 GLY H . . . . . . . . . . 169 . 50014 4 31 1 2 . . 8.257 . . 1 . 1 1 7 PHE H . . . . . . . . . . 127 . 50014 4 31 2 1 . . 109.411 . . 1 . 1 1 8 GLY N . . . . . . . . . . 170 . 50014 4 31 3 1 . . 39.132 . . 1 . 1 1 7 PHE CB . . . . . . . . . . 176 . 50014 4 32 1 1 . . 8.257 . . 1 . 1 1 8 GLY H . . . . . . . . . . 169 . 50014 4 32 2 1 . . 109.409 . . 1 . 1 1 8 GLY N . . . . . . . . . . 170 . 50014 4 32 3 1 . . 45.702 . . 1 . 1 1 8 GLY CA . . . . . . . . . . 175 . 50014 4 33 1 1 . . 8.257 . . 1 . 1 1 8 GLY H . . . . . . . . . . 169 . 50014 4 33 2 1 . . 109.412 . . 1 . 1 1 8 GLY N . . . . . . . . . . 170 . 50014 4 33 3 1 . . 58.191 . . 1 . 1 1 7 PHE CA . . . . . . . . . . 129 . 50014 4 34 1 2 . . 8.213 . . 1 . 1 1 7 PHE H . . . . . . . . . . 127 . 50014 4 34 2 1 . . 120.365 . . 1 . 1 1 7 PHE N . . . . . . . . . . 128 . 50014 4 34 3 1 . . 58.180 . . 1 . 1 1 7 PHE CA . . . . . . . . . . 129 . 50014 4 35 1 2 . . 8.214 . . 1 . 1 1 7 PHE H . . . . . . . . . . 127 . 50014 4 35 2 1 . . 120.353 . . 1 . 1 1 7 PHE N . . . . . . . . . . 128 . 50014 4 35 3 1 . . 54.392 . . 1 . 1 1 6 ASP CA . . . . . . . . . . 116 . 50014 4 36 1 2 . . 8.214 . . 1 . 1 1 7 PHE H . . . . . . . . . . 127 . 50014 4 36 2 1 . . 120.359 . . 1 . 1 1 7 PHE N . . . . . . . . . . 128 . 50014 4 36 3 1 . . 41.129 . . 1 . 1 1 6 ASP CB . . . . . . . . . . 130 . 50014 4 37 1 2 . . 8.213 . . 1 . 1 1 7 PHE H . . . . . . . . . . 127 . 50014 4 37 2 1 . . 120.373 . . 1 . 1 1 7 PHE N . . . . . . . . . . 128 . 50014 4 37 3 1 . . 39.150 . . 1 . 1 1 7 PHE CB . . . . . . . . . . 176 . 50014 4 38 1 1 . . 8.095 . . 1 . 1 1 6 ASP H . . . . . . . . . . 113 . 50014 4 38 2 1 . . 120.494 . . 1 . 1 1 6 ASP N . . . . . . . . . . 114 . 50014 4 38 3 1 . . 54.329 . . 1 . 1 1 6 ASP CA . . . . . . . . . . 116 . 50014 4 39 1 1 . . 8.096 . . 1 . 1 1 6 ASP H . . . . . . . . . . 113 . 50014 4 39 2 1 . . 120.530 . . 1 . 1 1 6 ASP N . . . . . . . . . . 114 . 50014 4 39 3 1 . . 54.132 . . 1 . 1 1 5 ASP CA . . . . . . . . . . 18 . 50014 4 40 1 1 . . 8.095 . . 1 . 1 1 6 ASP H . . . . . . . . . . 113 . 50014 4 40 2 1 . . 120.495 . . 1 . 1 1 6 ASP N . . . . . . . . . . 114 . 50014 4 40 3 1 . . 41.168 . . 1 . 1 1 6 ASP CB . . . . . . . . . . 130 . 50014 4 41 1 1 . . 8.094 . . 1 . 1 1 6 ASP H . . . . . . . . . . 113 . 50014 4 41 2 1 . . 120.530 . . 1 . 1 1 6 ASP N . . . . . . . . . . 114 . 50014 4 41 3 1 . . 41.405 . . 1 . 1 1 5 ASP CB . . . . . . . . . . 115 . 50014 4 42 1 1 . . 8.258 . . 1 . 1 1 5 ASP H . . . . . . . . . . 15 . 50014 4 42 2 1 . . 123.612 . . 1 . 1 1 5 ASP N . . . . . . . . . . 16 . 50014 4 42 3 1 . . 33.083 . . 1 . 1 1 4 VAL CB . . . . . . . . . . 17 . 50014 4 43 1 1 . . 8.258 . . 1 . 1 1 5 ASP H . . . . . . . . . . 15 . 50014 4 43 2 1 . . 123.622 . . 1 . 1 1 5 ASP N . . . . . . . . . . 16 . 50014 4 43 3 1 . . 41.326 . . 1 . 1 1 5 ASP CB . . . . . . . . . . 115 . 50014 4 44 1 1 . . 8.258 . . 1 . 1 1 5 ASP H . . . . . . . . . . 15 . 50014 4 44 2 1 . . 123.608 . . 1 . 1 1 5 ASP N . . . . . . . . . . 16 . 50014 4 44 3 1 . . 54.117 . . 1 . 1 1 5 ASP CA . . . . . . . . . . 18 . 50014 4 45 1 1 . . 8.258 . . 1 . 1 1 5 ASP H . . . . . . . . . . 15 . 50014 4 45 2 1 . . 123.616 . . 1 . 1 1 5 ASP N . . . . . . . . . . 16 . 50014 4 45 3 1 . . 62.027 . . 1 . 1 1 4 VAL CA . . . . . . . . . . 103 . 50014 4 46 1 1 . . 8.071 . . 1 . 1 1 4 VAL H . . . . . . . . . . 101 . 50014 4 46 2 1 . . 120.825 . . 1 . 1 1 4 VAL N . . . . . . . . . . 102 . 50014 4 46 3 1 . . 61.999 . . 1 . 1 1 4 VAL CA . . . . . . . . . . 103 . 50014 4 47 1 1 . . 8.069 . . 1 . 1 1 4 VAL H . . . . . . . . . . 101 . 50014 4 47 2 1 . . 120.821 . . 1 . 1 1 4 VAL N . . . . . . . . . . 102 . 50014 4 47 3 1 . . 55.608 . . 1 . 1 1 3 MET CA . . . . . . . . . . 104 . 50014 4 48 1 1 . . 8.073 . . 1 . 1 1 4 VAL H . . . . . . . . . . 101 . 50014 4 48 2 1 . . 120.825 . . 1 . 1 1 4 VAL N . . . . . . . . . . 102 . 50014 4 48 3 1 . . 32.976 . . 1 . 1 1 4 VAL CB . . . . . . . . . . 17 . 50014 4 49 1 1 . . 8.072 . . 1 . 1 1 4 VAL H . . . . . . . . . . 101 . 50014 4 49 2 1 . . 120.820 . . 1 . 1 1 4 VAL N . . . . . . . . . . 102 . 50014 4 49 3 1 . . 32.922 . . 1 . 1 1 3 MET CB . . . . . . . . . . 105 . 50014 4 50 1 1 . . 8.501 . . 1 . 1 1 3 MET H . . . . . . . . . . 90 . 50014 4 50 2 1 . . 120.958 . . 1 . 1 1 3 MET N . . . . . . . . . . 91 . 50014 4 50 3 1 . . 32.887 . . 1 . 1 1 3 MET CB . . . . . . . . . . 105 . 50014 4 51 1 1 . . 8.500 . . 1 . 1 1 3 MET H . . . . . . . . . . 90 . 50014 4 51 2 1 . . 120.965 . . 1 . 1 1 3 MET N . . . . . . . . . . 91 . 50014 4 51 3 1 . . 32.416 . . 1 . 1 1 2 PRO CB . . . . . . . . . . 94 . 50014 4 52 1 1 . . 8.501 . . 1 . 1 1 3 MET H . . . . . . . . . . 90 . 50014 4 52 2 1 . . 120.955 . . 1 . 1 1 3 MET N . . . . . . . . . . 91 . 50014 4 52 3 1 . . 63.044 . . 1 . 1 1 2 PRO CA . . . . . . . . . . 92 . 50014 4 53 1 1 . . 8.501 . . 1 . 1 1 3 MET H . . . . . . . . . . 90 . 50014 4 53 2 1 . . 120.965 . . 1 . 1 1 3 MET N . . . . . . . . . . 91 . 50014 4 53 3 2 . . 55.602 . . 1 . 1 1 3 MET CA . . . . . . . . . . 104 . 50014 4 54 1 1 . . 8.219 . . 1 . 1 1 16 GLY H . . . . . . . . . . 173 . 50014 4 54 2 1 . . 109.869 . . 1 . 1 1 16 GLY N . . . . . . . . . . 174 . 50014 4 54 3 1 . . 45.297 . . 1 . 1 1 16 GLY CA . . . . . . . . . . 75 . 50014 4 55 1 1 . . 8.219 . . 1 . 1 1 16 GLY H . . . . . . . . . . 173 . 50014 4 55 2 1 . . 109.869 . . 1 . 1 1 16 GLY N . . . . . . . . . . 174 . 50014 4 55 3 1 . . 39.496 . . 1 . 1 1 15 PHE CB . . . . . . . . . . 191 . 50014 4 56 1 1 . . 8.219 . . 1 . 1 1 16 GLY H . . . . . . . . . . 173 . 50014 4 56 2 1 . . 109.870 . . 1 . 1 1 16 GLY N . . . . . . . . . . 174 . 50014 4 56 3 1 . . 58.105 . . 1 . 1 1 15 PHE CA . . . . . . . . . . 180 . 50014 4 57 1 1 . . 7.992 . . 1 . 1 1 17 TRP H . . . . . . . . . . 72 . 50014 4 57 2 1 . . 121.225 . . 1 . 1 1 17 TRP N . . . . . . . . . . 73 . 50014 4 57 3 1 . . 29.370 . . 1 . 1 1 17 TRP CB . . . . . . . . . . 46 . 50014 4 58 1 1 . . 7.993 . . 1 . 1 1 17 TRP H . . . . . . . . . . 72 . 50014 4 58 2 1 . . 121.224 . . 1 . 1 1 17 TRP N . . . . . . . . . . 73 . 50014 4 58 3 1 . . 57.750 . . 1 . 1 1 17 TRP CA . . . . . . . . . . 74 . 50014 4 59 1 1 . . 8.066 . . 1 . 1 1 18 ASP H . . . . . . . . . . 43 . 50014 4 59 2 1 . . 122.253 . . 1 . 1 1 18 ASP N . . . . . . . . . . 44 . 50014 4 59 3 1 . . 40.751 . . 1 . 1 1 18 ASP CB . . . . . . . . . . 162 . 50014 4 60 1 1 . . 8.066 . . 1 . 1 1 18 ASP H . . . . . . . . . . 43 . 50014 4 60 2 1 . . 122.248 . . 1 . 1 1 18 ASP N . . . . . . . . . . 44 . 50014 4 60 3 1 . . 53.906 . . 1 . 1 1 18 ASP CA . . . . . . . . . . 161 . 50014 4 61 1 1 . . 8.065 . . 1 . 1 1 18 ASP H . . . . . . . . . . 43 . 50014 4 61 2 1 . . 122.256 . . 1 . 1 1 18 ASP N . . . . . . . . . . 44 . 50014 4 61 3 1 . . 57.729 . . 1 . 1 1 17 TRP CA . . . . . . . . . . 74 . 50014 4 62 1 1 . . 8.066 . . 1 . 1 1 18 ASP H . . . . . . . . . . 43 . 50014 4 62 2 1 . . 122.254 . . 1 . 1 1 18 ASP N . . . . . . . . . . 44 . 50014 4 62 3 1 . . 29.361 . . 1 . 1 1 17 TRP CB . . . . . . . . . . 46 . 50014 4 63 1 1 . . 7.397 . . 1 . 1 1 19 GLY H . . . . . . . . . . 159 . 50014 4 63 2 1 . . 108.106 . . 1 . 1 1 19 GLY N . . . . . . . . . . 160 . 50014 4 63 3 1 . . 45.677 . . 1 . 1 1 19 GLY CA . . . . . . . . . . 119 . 50014 4 64 1 1 . . 7.397 . . 1 . 1 1 19 GLY H . . . . . . . . . . 159 . 50014 4 64 2 1 . . 108.096 . . 1 . 1 1 19 GLY N . . . . . . . . . . 160 . 50014 4 64 3 1 . . 53.904 . . 1 . 1 1 18 ASP CA . . . . . . . . . . 161 . 50014 4 65 1 1 . . 7.397 . . 1 . 1 1 19 GLY H . . . . . . . . . . 159 . 50014 4 65 2 1 . . 108.124 . . 1 . 1 1 19 GLY N . . . . . . . . . . 160 . 50014 4 65 3 1 . . 40.778 . . 1 . 1 1 18 ASP CB . . . . . . . . . . 162 . 50014 4 66 1 1 . . 7.907 . . 1 . 1 1 20 LYS H . . . . . . . . . . 117 . 50014 4 66 2 1 . . 120.187 . . 1 . 1 1 20 LYS N . . . . . . . . . . 118 . 50014 4 66 3 1 . . 45.664 . . 1 . 1 1 19 GLY CA . . . . . . . . . . 119 . 50014 4 67 1 1 . . 7.908 . . 1 . 1 1 20 LYS H . . . . . . . . . . 117 . 50014 4 67 2 1 . . 120.193 . . 1 . 1 1 20 LYS N . . . . . . . . . . 118 . 50014 4 67 3 1 . . 32.756 . . 1 . 1 1 20 LYS CB . . . . . . . . . . 134 . 50014 4 68 1 1 . . 7.907 . . 1 . 1 1 20 LYS H . . . . . . . . . . 117 . 50014 4 68 2 1 . . 120.191 . . 1 . 1 1 20 LYS N . . . . . . . . . . 118 . 50014 4 68 3 1 . . 56.622 . . 1 . 1 1 20 LYS CA . . . . . . . . . . 133 . 50014 4 69 1 1 . . 8.279 . . 1 . 1 1 21 MET H . . . . . . . . . . 131 . 50014 4 69 2 1 . . 120.318 . . 1 . 1 1 21 MET N . . . . . . . . . . 132 . 50014 4 69 3 1 . . 32.637 . . 1 . 1 1 21 MET CB . . . . . . . . . . 59 . 50014 4 70 1 1 . . 8.279 . . 1 . 1 1 21 MET H . . . . . . . . . . 131 . 50014 4 70 2 1 . . 120.323 . . 1 . 1 1 21 MET N . . . . . . . . . . 132 . 50014 4 70 3 1 . . 56.636 . . 1 . 1 1 20 LYS CA . . . . . . . . . . 133 . 50014 4 71 1 1 . . 8.278 . . 1 . 1 1 21 MET H . . . . . . . . . . 131 . 50014 4 71 2 1 . . 120.309 . . 1 . 1 1 21 MET N . . . . . . . . . . 132 . 50014 4 71 3 1 . . 55.566 . . 1 . 1 1 21 MET CA . . . . . . . . . . 60 . 50014 4 72 1 1 . . 8.201 . . 1 . 1 1 22 ARG H . . . . . . . . . . 57 . 50014 4 72 2 1 . . 122.095 . . 1 . 1 1 22 ARG N . . . . . . . . . . 58 . 50014 4 72 3 1 . . 30.652 . . 1 . 1 1 22 ARG CB . . . . . . . . . . 187 . 50014 4 73 1 1 . . 8.201 . . 1 . 1 1 22 ARG H . . . . . . . . . . 57 . 50014 4 73 2 1 . . 122.095 . . 1 . 1 1 22 ARG N . . . . . . . . . . 58 . 50014 4 73 3 1 . . 56.423 . . 1 . 1 1 22 ARG CA . . . . . . . . . . 188 . 50014 4 74 1 1 . . 8.200 . . 1 . 1 1 22 ARG H . . . . . . . . . . 57 . 50014 4 74 2 1 . . 122.077 . . 1 . 1 1 22 ARG N . . . . . . . . . . 58 . 50014 4 74 3 1 . . 55.592 . . 1 . 1 1 21 MET CA . . . . . . . . . . 60 . 50014 4 75 1 1 . . 8.206 . . 1 . 1 1 22 ARG H . . . . . . . . . . 57 . 50014 4 75 2 1 . . 122.130 . . 1 . 1 1 22 ARG N . . . . . . . . . . 58 . 50014 4 75 3 1 . . 32.650 . . 1 . 1 1 21 MET CB . . . . . . . . . . 59 . 50014 4 76 1 1 . . 8.285 . . 1 . 1 1 23 GLY H . . . . . . . . . . 181 . 50014 4 76 2 1 . . 109.675 . . 1 . 1 1 23 GLY N . . . . . . . . . . 182 . 50014 4 76 3 1 . . 56.486 . . 1 . 1 1 22 ARG CA . . . . . . . . . . 188 . 50014 4 77 1 1 . . 8.287 . . 1 . 1 1 23 GLY H . . . . . . . . . . 181 . 50014 4 77 2 1 . . 109.679 . . 1 . 1 1 23 GLY N . . . . . . . . . . 182 . 50014 4 77 3 1 . . 30.624 . . 1 . 1 1 22 ARG CB . . . . . . . . . . 187 . 50014 4 78 1 1 . . 8.287 . . 1 . 1 1 23 GLY H . . . . . . . . . . 181 . 50014 4 78 2 1 . . 109.683 . . 1 . 1 1 23 GLY N . . . . . . . . . . 182 . 50014 4 78 3 1 . . 45.254 . . 1 . 1 1 23 GLY CA . . . . . . . . . . 108 . 50014 4 79 1 1 . . 8.090 . . 1 . 1 1 24 LYS H . . . . . . . . . . 106 . 50014 4 79 2 1 . . 120.845 . . 1 . 1 1 24 LYS N . . . . . . . . . . 107 . 50014 4 79 3 1 . . 45.176 . . 1 . 1 1 23 GLY CA . . . . . . . . . . 108 . 50014 4 80 1 1 . . 8.088 . . 1 . 1 1 24 LYS H . . . . . . . . . . 106 . 50014 4 80 2 1 . . 120.837 . . 1 . 1 1 24 LYS N . . . . . . . . . . 107 . 50014 4 80 3 1 . . 56.251 . . 1 . 1 1 24 LYS CA . . . . . . . . . . 78 . 50014 4 81 1 1 . . 8.047 . . 1 . 1 1 25 VAL H . . . . . . . . . . 76 . 50014 4 81 2 1 . . 121.284 . . 1 . 1 1 25 VAL N . . . . . . . . . . 77 . 50014 4 81 3 2 . . 32.778 . . 1 . 1 1 25 VAL CB . . . . . . . . . . 4 . 50014 4 82 1 1 . . 8.047 . . 1 . 1 1 25 VAL H . . . . . . . . . . 76 . 50014 4 82 2 1 . . 121.277 . . 1 . 1 1 25 VAL N . . . . . . . . . . 77 . 50014 4 82 3 1 . . 56.217 . . 1 . 1 1 24 LYS CA . . . . . . . . . . 78 . 50014 4 83 1 1 . . 8.047 . . 1 . 1 1 25 VAL H . . . . . . . . . . 76 . 50014 4 83 2 1 . . 121.282 . . 1 . 1 1 25 VAL N . . . . . . . . . . 77 . 50014 4 83 3 2 . . 62.442 . . 1 . 1 1 25 VAL CA . . . . . . . . . . 251 . 50014 4 84 1 2 . . 8.280 . . 1 . 1 1 43 LYS H . . . . . . . . . . 194 . 50014 4 84 2 2 . . 124.641 . . 1 . 1 1 43 LYS N . . . . . . . . . . 195 . 50014 4 84 3 3 . . 32.842 . . 1 . 1 1 43 LYS CB . . . . . . . . . . 33 . 50014 4 85 1 1 . . 8.281 . . 1 . 1 1 43 LYS H . . . . . . . . . . 194 . 50014 4 85 2 1 . . 124.654 . . 1 . 1 1 43 LYS N . . . . . . . . . . 195 . 50014 4 85 3 3 . . 62.448 . . 1 . 1 1 42 VAL CA . . . . . . . . . . 205 . 50014 4 86 1 1 . . 8.280 . . 1 . 1 1 43 LYS H . . . . . . . . . . 194 . 50014 4 86 2 1 . . 124.644 . . 1 . 1 1 43 LYS N . . . . . . . . . . 195 . 50014 4 86 3 2 . . 56.397 . . 1 . 1 1 43 LYS CA . . . . . . . . . . 199 . 50014 4 87 1 1 . . 7.998 . . 1 . 1 1 39 ALA H . . . . . . . . . . 24 . 50014 4 87 2 1 . . 123.570 . . 1 . 1 1 39 ALA N . . . . . . . . . . 25 . 50014 4 87 3 1 . . 52.518 . . 1 . 1 1 39 ALA CA . . . . . . . . . . 145 . 50014 4 88 1 1 . . 7.998 . . 1 . 1 1 39 ALA H . . . . . . . . . . 24 . 50014 4 88 2 1 . . 123.561 . . 1 . 1 1 39 ALA N . . . . . . . . . . 25 . 50014 4 88 3 1 . . 45.301 . . 1 . 1 1 38 GLY CA . . . . . . . . . . 26 . 50014 4 89 1 1 . . 7.998 . . 1 . 1 1 39 ALA H . . . . . . . . . . 24 . 50014 4 89 2 1 . . 123.564 . . 1 . 1 1 39 ALA N . . . . . . . . . . 25 . 50014 4 89 3 1 . . 19.244 . . 1 . 1 1 39 ALA CB . . . . . . . . . . 146 . 50014 4 90 1 1 . . 8.359 . . 1 . 1 1 38 GLY H . . . . . . . . . . 167 . 50014 4 90 2 1 . . 109.287 . . 1 . 1 1 38 GLY N . . . . . . . . . . 168 . 50014 4 90 3 1 . . 55.534 . . 1 . 1 1 37 LEU CA . . . . . . . . . . 185 . 50014 4 91 1 1 . . 8.356 . . 1 . 1 1 38 GLY H . . . . . . . . . . 167 . 50014 4 91 2 1 . . 109.289 . . 1 . 1 1 38 GLY N . . . . . . . . . . 168 . 50014 4 91 3 1 . . 45.312 . . 1 . 1 1 38 GLY CA . . . . . . . . . . 26 . 50014 4 92 1 1 . . 8.358 . . 1 . 1 1 38 GLY H . . . . . . . . . . 167 . 50014 4 92 2 1 . . 109.270 . . 1 . 1 1 38 GLY N . . . . . . . . . . 168 . 50014 4 92 3 1 . . 42.216 . . 1 . 1 1 37 LEU CB . . . . . . . . . . 184 . 50014 4 93 1 1 . . 7.988 . . 1 . 1 1 37 LEU H . . . . . . . . . . 70 . 50014 4 93 2 1 . . 121.396 . . 1 . 1 1 37 LEU N . . . . . . . . . . 71 . 50014 4 93 3 1 . . 42.255 . . 1 . 1 1 37 LEU CB . . . . . . . . . . 184 . 50014 4 94 1 1 . . 7.987 . . 1 . 1 1 37 LEU H . . . . . . . . . . 70 . 50014 4 94 2 1 . . 121.410 . . 1 . 1 1 37 LEU N . . . . . . . . . . 71 . 50014 4 94 3 1 . . 55.548 . . 1 . 1 1 37 LEU CA . . . . . . . . . . 185 . 50014 4 95 1 1 . . 7.989 . . 1 . 1 1 37 LEU H . . . . . . . . . . 70 . 50014 4 95 2 1 . . 121.335 . . 1 . 1 1 37 LEU N . . . . . . . . . . 71 . 50014 4 95 3 1 . . 45.361 . . 1 . 1 1 36 GLY CA . . . . . . . . . . 165 . 50014 4 96 1 1 . . 8.169 . . 1 . 1 1 36 GLY H . . . . . . . . . . 163 . 50014 4 96 2 1 . . 107.528 . . 1 . 1 1 36 GLY N . . . . . . . . . . 164 . 50014 4 96 3 1 . . 45.394 . . 1 . 1 1 36 GLY CA . . . . . . . . . . 165 . 50014 4 97 1 1 . . 8.168 . . 1 . 1 1 36 GLY H . . . . . . . . . . 163 . 50014 4 97 2 1 . . 107.520 . . 1 . 1 1 36 GLY N . . . . . . . . . . 164 . 50014 4 97 3 1 . . 52.938 . . 1 . 1 1 35 ALA CA . . . . . . . . . . 22 . 50014 4 98 1 1 . . 8.167 . . 1 . 1 1 36 GLY H . . . . . . . . . . 163 . 50014 4 98 2 1 . . 107.533 . . 1 . 1 1 36 GLY N . . . . . . . . . . 164 . 50014 4 98 3 1 . . 19.016 . . 1 . 1 1 35 ALA CB . . . . . . . . . . 166 . 50014 4 99 1 1 . . 8.135 . . 1 . 1 1 35 ALA H . . . . . . . . . . 20 . 50014 4 99 2 1 . . 123.634 . . 1 . 1 1 35 ALA N . . . . . . . . . . 21 . 50014 4 99 3 1 . . 19.024 . . 1 . 1 1 35 ALA CB . . . . . . . . . . 166 . 50014 4 100 1 1 . . 8.135 . . 1 . 1 1 35 ALA H . . . . . . . . . . 20 . 50014 4 100 2 1 . . 123.650 . . 1 . 1 1 35 ALA N . . . . . . . . . . 21 . 50014 4 100 3 1 . . 42.094 . . 1 . 1 1 34 LEU CB . . . . . . . . . . 23 . 50014 4 101 1 1 . . 8.135 . . 1 . 1 1 35 ALA H . . . . . . . . . . 20 . 50014 4 101 2 1 . . 123.633 . . 1 . 1 1 35 ALA N . . . . . . . . . . 21 . 50014 4 101 3 1 . . 52.909 . . 1 . 1 1 35 ALA CA . . . . . . . . . . 22 . 50014 4 102 1 1 . . 8.136 . . 1 . 1 1 35 ALA H . . . . . . . . . . 20 . 50014 4 102 2 1 . . 123.636 . . 1 . 1 1 35 ALA N . . . . . . . . . . 21 . 50014 4 102 3 1 . . 55.486 . . 1 . 1 1 34 LEU CA . . . . . . . . . . 41 . 50014 4 103 1 1 . . 8.096 . . 1 . 1 1 34 LEU H . . . . . . . . . . 39 . 50014 4 103 2 1 . . 122.484 . . 1 . 1 1 34 LEU N . . . . . . . . . . 40 . 50014 4 103 3 1 . . 42.083 . . 1 . 1 1 34 LEU CB . . . . . . . . . . 23 . 50014 4 104 1 1 . . 8.094 . . 1 . 1 1 34 LEU H . . . . . . . . . . 39 . 50014 4 104 2 1 . . 122.475 . . 1 . 1 1 34 LEU N . . . . . . . . . . 40 . 50014 4 104 3 2 . . 55.477 . . 1 . 1 1 34 LEU CA . . . . . . . . . . 41 . 50014 4 105 1 1 . . 8.094 . . 1 . 1 1 34 LEU H . . . . . . . . . . 39 . 50014 4 105 2 1 . . 122.465 . . 1 . 1 1 34 LEU N . . . . . . . . . . 40 . 50014 4 105 3 1 . . 53.257 . . 1 . 1 1 33 ASN CA . . . . . . . . . . 153 . 50014 4 106 1 1 . . 8.095 . . 1 . 1 1 34 LEU H . . . . . . . . . . 39 . 50014 4 106 2 1 . . 122.481 . . 1 . 1 1 34 LEU N . . . . . . . . . . 40 . 50014 4 106 3 1 . . 38.503 . . 1 . 1 1 33 ASN CB . . . . . . . . . . 42 . 50014 4 107 1 1 . . 8.255 . . 1 . 1 1 33 ASN H . . . . . . . . . . 151 . 50014 4 107 2 1 . . 117.180 . . 1 . 1 1 33 ASN N . . . . . . . . . . 152 . 50014 4 107 3 1 . . 53.207 . . 1 . 1 1 33 ASN CA . . . . . . . . . . 153 . 50014 4 108 1 1 . . 8.253 . . 1 . 1 1 33 ASN H . . . . . . . . . . 151 . 50014 4 108 2 1 . . 117.195 . . 1 . 1 1 33 ASN N . . . . . . . . . . 152 . 50014 4 108 3 1 . . 38.519 . . 1 . 1 1 33 ASN CB . . . . . . . . . . 42 . 50014 4 109 1 1 . . 8.254 . . 1 . 1 1 33 ASN H . . . . . . . . . . 151 . 50014 4 109 2 1 . . 117.186 . . 1 . 1 1 33 ASN N . . . . . . . . . . 152 . 50014 4 109 3 1 . . 19.298 . . 1 . 1 1 32 ALA CB . . . . . . . . . . 154 . 50014 4 110 1 1 . . 8.142 . . 1 . 1 1 32 ALA H . . . . . . . . . . 5 . 50014 4 110 2 1 . . 124.789 . . 1 . 1 1 32 ALA N . . . . . . . . . . 6 . 50014 4 110 3 1 . . 52.750 . . 1 . 1 1 32 ALA CA . . . . . . . . . . 8 . 50014 4 111 1 1 . . 8.142 . . 1 . 1 1 32 ALA H . . . . . . . . . . 5 . 50014 4 111 2 1 . . 124.798 . . 1 . 1 1 32 ALA N . . . . . . . . . . 6 . 50014 4 111 3 1 . . 38.701 . . 1 . 1 1 31 TYR CB . . . . . . . . . . 7 . 50014 4 112 1 1 . . 8.142 . . 1 . 1 1 32 ALA H . . . . . . . . . . 5 . 50014 4 112 2 1 . . 124.792 . . 1 . 1 1 32 ALA N . . . . . . . . . . 6 . 50014 4 112 3 1 . . 19.315 . . 1 . 1 1 32 ALA CB . . . . . . . . . . 154 . 50014 4 113 1 1 . . 8.121 . . 1 . 1 1 31 TYR H . . . . . . . . . . 109 . 50014 4 113 2 1 . . 120.631 . . 1 . 1 1 31 TYR N . . . . . . . . . . 110 . 50014 4 113 3 1 . . 57.757 . . 1 . 1 1 31 TYR CA . . . . . . . . . . 111 . 50014 4 114 1 1 . . 8.122 . . 1 . 1 1 31 TYR H . . . . . . . . . . 109 . 50014 4 114 2 1 . . 120.623 . . 1 . 1 1 31 TYR N . . . . . . . . . . 110 . 50014 4 114 3 1 . . 38.683 . . 1 . 1 1 31 TYR CB . . . . . . . . . . 7 . 50014 4 115 1 1 . . 8.121 . . 1 . 1 1 31 TYR H . . . . . . . . . . 109 . 50014 4 115 2 1 . . 120.613 . . 1 . 1 1 31 TYR N . . . . . . . . . . 110 . 50014 4 115 3 1 . . 30.833 . . 1 . 1 1 30 ARG CB . . . . . . . . . . 112 . 50014 4 116 1 1 . . 8.112 . . 1 . 1 1 31 TYR H . . . . . . . . . . 109 . 50014 4 116 2 1 . . 120.681 . . 1 . 1 1 31 TYR N . . . . . . . . . . 110 . 50014 4 116 3 1 . . 56.223 . . 1 . 1 1 30 ARG CA . . . . . . . . . . 56 . 50014 4 117 1 1 . . 8.207 . . 1 . 1 1 40 ARG H . . . . . . . . . . 143 . 50014 4 117 2 1 . . 119.651 . . 1 . 1 1 40 ARG N . . . . . . . . . . 144 . 50014 4 117 3 1 . . 56.105 . . 1 . 1 1 40 ARG CA . . . . . . . . . . 140 . 50014 4 118 1 1 . . 8.206 . . 1 . 1 1 40 ARG H . . . . . . . . . . 143 . 50014 4 118 2 1 . . 119.657 . . 1 . 1 1 40 ARG N . . . . . . . . . . 144 . 50014 4 118 3 1 . . 52.487 . . 1 . 1 1 39 ALA CA . . . . . . . . . . 145 . 50014 4 119 1 1 . . 8.207 . . 1 . 1 1 40 ARG H . . . . . . . . . . 143 . 50014 4 119 2 1 . . 119.656 . . 1 . 1 1 40 ARG N . . . . . . . . . . 144 . 50014 4 119 3 1 . . 19.213 . . 1 . 1 1 39 ALA CB . . . . . . . . . . 146 . 50014 4 120 1 1 . . 8.207 . . 1 . 1 1 40 ARG H . . . . . . . . . . 143 . 50014 4 120 2 1 . . 119.667 . . 1 . 1 1 40 ARG N . . . . . . . . . . 144 . 50014 4 120 3 1 . . 30.728 . . 1 . 1 1 40 ARG CB . . . . . . . . . . 142 . 50014 4 121 1 1 . . 8.392 . . 1 . 1 1 41 ASN H . . . . . . . . . . 138 . 50014 4 121 2 1 . . 119.878 . . 1 . 1 1 41 ASN N . . . . . . . . . . 139 . 50014 4 121 3 2 . . 30.737 . . 1 . 1 1 40 ARG CB . . . . . . . . . . 142 . 50014 4 122 1 1 . . 8.392 . . 1 . 1 1 41 ASN H . . . . . . . . . . 138 . 50014 4 122 2 1 . . 119.870 . . 1 . 1 1 41 ASN N . . . . . . . . . . 139 . 50014 4 122 3 1 . . 56.122 . . 1 . 1 1 40 ARG CA . . . . . . . . . . 140 . 50014 4 123 1 1 . . 8.392 . . 1 . 1 1 41 ASN H . . . . . . . . . . 138 . 50014 4 123 2 1 . . 119.871 . . 1 . 1 1 41 ASN N . . . . . . . . . . 139 . 50014 4 123 3 1 . . 38.785 . . 1 . 1 1 41 ASN CB . . . . . . . . . . 126 . 50014 4 124 1 1 . . 8.392 . . 1 . 1 1 41 ASN H . . . . . . . . . . 138 . 50014 4 124 2 1 . . 119.875 . . 1 . 1 1 41 ASN N . . . . . . . . . . 139 . 50014 4 124 3 1 . . 53.231 . . 1 . 1 1 41 ASN CA . . . . . . . . . . 141 . 50014 4 125 1 1 . . 7.979 . . 1 . 1 1 42 VAL H . . . . . . . . . . 200 . 50014 4 125 2 1 . . 120.208 . . 1 . 1 1 42 VAL N . . . . . . . . . . 201 . 50014 4 125 3 2 . . 32.732 . . 1 . 1 1 42 VAL CB . . . . . . . . . . 250 . 50014 4 126 1 1 . . 7.979 . . 1 . 1 1 42 VAL H . . . . . . . . . . 200 . 50014 4 126 2 1 . . 120.212 . . 1 . 1 1 42 VAL N . . . . . . . . . . 201 . 50014 4 126 3 1 . . 62.431 . . 1 . 1 1 42 VAL CA . . . . . . . . . . 205 . 50014 4 127 1 1 . . 7.980 . . 1 . 1 1 42 VAL H . . . . . . . . . . 200 . 50014 4 127 2 2 . . 120.218 . . 1 . 1 1 42 VAL N . . . . . . . . . . 201 . 50014 4 127 3 1 . . 53.199 . . 1 . 1 1 41 ASN CA . . . . . . . . . . 141 . 50014 4 128 1 1 . . 7.979 . . 1 . 1 1 42 VAL H . . . . . . . . . . 200 . 50014 4 128 2 3 . . 120.215 . . 1 . 1 1 42 VAL N . . . . . . . . . . 201 . 50014 4 128 3 1 . . 38.782 . . 1 . 1 1 41 ASN CB . . . . . . . . . . 126 . 50014 4 129 1 1 . . 8.089 . . 1 . 1 1 24 LYS H . . . . . . . . . . 106 . 50014 4 129 2 1 . . 120.832 . . 1 . 1 1 24 LYS N . . . . . . . . . . 107 . 50014 4 129 3 1 . . 33.156 . . 1 . 1 1 24 LYS CB . . . . . . . . . . 79 . 50014 4 130 1 1 . . 8.225 . . 1 . 1 1 45 ALA H . . . . . . . . . . 11 . 50014 4 130 2 1 . . 124.437 . . 1 . 1 1 45 ALA N . . . . . . . . . . 12 . 50014 4 130 3 1 . . 19.365 . . 1 . 1 1 45 ALA CB . . . . . . . . . . 137 . 50014 4 131 1 1 . . 8.225 . . 1 . 1 1 45 ALA H . . . . . . . . . . 11 . 50014 4 131 2 1 . . 124.435 . . 1 . 1 1 45 ALA N . . . . . . . . . . 12 . 50014 4 131 3 1 . . 30.190 . . 1 . 1 1 44 GLU CB . . . . . . . . . . 14 . 50014 4 132 1 1 . . 8.225 . . 1 . 1 1 45 ALA H . . . . . . . . . . 11 . 50014 4 132 2 1 . . 124.438 . . 1 . 1 1 45 ALA N . . . . . . . . . . 12 . 50014 4 132 3 1 . . 52.534 . . 1 . 1 1 45 ALA CA . . . . . . . . . . 13 . 50014 4 133 1 1 . . 8.226 . . 1 . 1 1 45 ALA H . . . . . . . . . . 11 . 50014 4 133 2 1 . . 124.429 . . 1 . 1 1 45 ALA N . . . . . . . . . . 12 . 50014 4 133 3 1 . . 56.635 . . 1 . 1 1 44 GLU CA . . . . . . . . . . 34 . 50014 4 134 1 1 . . 8.358 . . 1 . 1 1 46 GLU H . . . . . . . . . . 135 . 50014 4 134 2 1 . . 120.244 . . 1 . 1 1 46 GLU N . . . . . . . . . . 136 . 50014 4 134 3 1 . . 52.522 . . 1 . 1 1 45 ALA CA . . . . . . . . . . 13 . 50014 4 135 1 1 . . 8.357 . . 1 . 1 1 46 GLU H . . . . . . . . . . 135 . 50014 4 135 2 1 . . 120.242 . . 1 . 1 1 46 GLU N . . . . . . . . . . 136 . 50014 4 135 3 1 . . 56.562 . . 1 . 1 1 46 GLU CA . . . . . . . . . . 87 . 50014 4 136 1 2 . . 8.358 . . 1 . 1 1 46 GLU H . . . . . . . . . . 135 . 50014 4 136 2 1 . . 120.249 . . 1 . 1 1 46 GLU N . . . . . . . . . . 136 . 50014 4 136 3 1 . . 19.358 . . 1 . 1 1 45 ALA CB . . . . . . . . . . 137 . 50014 4 137 1 1 . . 8.358 . . 1 . 1 1 46 GLU H . . . . . . . . . . 135 . 50014 4 137 2 1 . . 120.242 . . 1 . 1 1 46 GLU N . . . . . . . . . . 136 . 50014 4 137 3 1 . . 30.182 . . 1 . 1 1 46 GLU CB . . . . . . . . . . 95 . 50014 4 138 1 1 . . 8.279 . . 1 . 1 1 47 ASP H . . . . . . . . . . 85 . 50014 4 138 2 1 . . 121.056 . . 1 . 1 1 47 ASP N . . . . . . . . . . 86 . 50014 4 138 3 1 . . 56.598 . . 1 . 1 1 46 GLU CA . . . . . . . . . . 87 . 50014 4 139 1 1 . . 8.359 . . 1 . 1 1 44 GLU H . . . . . . . . . . 31 . 50014 4 139 2 1 . . 122.432 . . 1 . 1 1 44 GLU N . . . . . . . . . . 32 . 50014 4 139 3 1 . . 30.173 . . 1 . 1 1 44 GLU CB . . . . . . . . . . 14 . 50014 4 140 1 1 . . 8.358 . . 1 . 1 1 44 GLU H . . . . . . . . . . 31 . 50014 4 140 2 1 . . 122.434 . . 1 . 1 1 44 GLU N . . . . . . . . . . 32 . 50014 4 140 3 1 . . 32.952 . . 1 . 1 1 43 LYS CB . . . . . . . . . . 33 . 50014 4 141 1 1 . . 8.359 . . 1 . 1 1 44 GLU H . . . . . . . . . . 31 . 50014 4 141 2 1 . . 122.428 . . 1 . 1 1 44 GLU N . . . . . . . . . . 32 . 50014 4 141 3 1 . . 56.606 . . 1 . 1 1 44 GLU CA . . . . . . . . . . 34 . 50014 4 142 1 1 . . 8.166 . . 1 . 1 1 28 VAL H . . . . . . . . . . 35 . 50014 4 142 2 1 . . 122.317 . . 1 . 1 1 28 VAL N . . . . . . . . . . 36 . 50014 4 142 3 1 . . 32.663 . . 1 . 1 1 28 VAL CB . . . . . . . . . . 203 . 50014 4 143 1 1 . . 8.166 . . 1 . 1 1 28 VAL H . . . . . . . . . . 35 . 50014 4 143 2 1 . . 122.334 . . 1 . 1 1 28 VAL N . . . . . . . . . . 36 . 50014 4 143 3 1 . . 62.508 . . 1 . 1 1 28 VAL CA . . . . . . . . . . 37 . 50014 4 144 1 1 . . 8.164 . . 1 . 1 1 30 ARG H . . . . . . . . . . 51 . 50014 4 144 2 1 . . 122.236 . . 1 . 1 1 30 ARG N . . . . . . . . . . 52 . 50014 4 145 1 1 . . 8.164 . . 1 . 1 1 30 ARG H . . . . . . . . . . 51 . 50014 4 145 2 1 . . 122.227 . . 1 . 1 1 30 ARG N . . . . . . . . . . 52 . 50014 4 145 3 1 . . 56.328 . . 1 . 1 1 30 ARG CA . . . . . . . . . . 56 . 50014 4 146 1 1 . . 8.302 . . 1 . 1 1 26 LYS H . . . . . . . . . . 254 . 50014 4 146 2 1 . . 125.123 . . 1 . 1 1 26 LYS N . . . . . . . . . . 255 . 50014 4 146 3 1 . . 62.487 . . 1 . 1 1 25 VAL CA . . . . . . . . . . 251 . 50014 4 147 1 1 . . 8.302 . . 1 . 1 1 26 LYS H . . . . . . . . . . 254 . 50014 4 147 2 1 . . 125.141 . . 1 . 1 1 26 LYS N . . . . . . . . . . 255 . 50014 4 147 3 2 . . 56.430 . . 1 . 1 1 26 LYS CA . . . . . . . . . . 261 . 50014 4 148 1 1 . . 8.305 . . 1 . 1 1 26 LYS H . . . . . . . . . . 254 . 50014 4 148 2 1 . . 125.091 . . 1 . 1 1 26 LYS N . . . . . . . . . . 255 . 50014 4 148 3 1 . . 32.964 . . 1 . 1 1 26 LYS CB . . . . . . . . . . 262 . 50014 4 149 1 1 . . 8.286 . . 1 . 1 1 27 GLU H . . . . . . . . . . 27 . 50014 4 149 2 1 . . 122.823 . . 1 . 1 1 27 GLU N . . . . . . . . . . 28 . 50014 4 149 3 1 . . 30.403 . . 1 . 1 1 27 GLU CB . . . . . . . . . . 38 . 50014 4 150 1 1 . . 8.287 . . 1 . 1 1 27 GLU H . . . . . . . . . . 27 . 50014 4 150 2 1 . . 122.798 . . 1 . 1 1 27 GLU N . . . . . . . . . . 28 . 50014 4 150 3 1 . . 32.959 . . 1 . 1 1 26 LYS CB . . . . . . . . . . 262 . 50014 4 151 1 1 . . 8.286 . . 1 . 1 1 27 GLU H . . . . . . . . . . 27 . 50014 4 151 2 1 . . 122.812 . . 1 . 1 1 27 GLU N . . . . . . . . . . 28 . 50014 4 151 3 1 . . 56.449 . . 1 . 1 1 27 GLU CA . . . . . . . . . . 30 . 50014 4 152 1 1 . . 8.302 . . 1 . 1 1 29 LYS H . . . . . . . . . . 252 . 50014 4 152 2 1 . . 125.095 . . 1 . 1 1 29 LYS N . . . . . . . . . . 253 . 50014 4 152 3 1 . . 32.802 . . 1 . 1 1 29 LYS CB . . . . . . . . . . 53 . 50014 4 stop_ save_ save_spectral_peak_list_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_5 _Spectral_peak_list.Entry_ID 50014 _Spectral_peak_list.ID 5 _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 . _Spectral_peak_list.Chem_shift_reference_label . _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name . _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions . _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 'Default list' _Spectral_peak_list.Text_data_format . _Spectral_peak_list.Text_data . 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 . folded 9803.92156863 Hz . . . . . . 50014 5 2 . . N 15 N . folded 1421.26208073 Hz . . . . . . 50014 5 3 . . C 13 CO . folded 1803.75180375 Hz . . . . . . 50014 5 stop_ loop_ _Peak.ID _Peak.Figure_of_merit _Peak.Restraint _Peak.Details _Peak.Entry_ID _Peak.Spectral_peak_list_ID 1 1.0 . . 50014 5 2 1.0 . . 50014 5 3 1.0 . . 50014 5 4 1.0 . . 50014 5 5 1.0 . . 50014 5 6 1.0 . . 50014 5 7 1.0 . . 50014 5 8 1.0 . . 50014 5 9 1.0 . . 50014 5 10 1.0 . . 50014 5 11 1.0 . . 50014 5 12 1.0 . . 50014 5 13 1.0 . . 50014 5 14 1.0 . . 50014 5 15 1.0 . . 50014 5 16 1.0 . . 50014 5 17 1.0 . . 50014 5 18 1.0 . . 50014 5 19 1.0 . . 50014 5 20 1.0 . . 50014 5 21 1.0 . . 50014 5 22 1.0 . . 50014 5 23 1.0 . . 50014 5 24 1.0 . . 50014 5 25 1.0 . . 50014 5 26 1.0 . . 50014 5 27 1.0 . . 50014 5 28 1.0 . . 50014 5 29 1.0 . . 50014 5 30 1.0 . . 50014 5 31 1.0 . . 50014 5 32 1.0 . . 50014 5 33 1.0 . . 50014 5 34 1.0 . . 50014 5 35 1.0 . . 50014 5 36 1.0 . . 50014 5 37 1.0 . . 50014 5 38 1.0 . . 50014 5 39 1.0 . . 50014 5 40 1.0 . . 50014 5 41 1.0 . . 50014 5 42 1.0 . . 50014 5 43 1.0 . . 50014 5 44 1.0 . . 50014 5 stop_ loop_ _Peak_general_char.Peak_ID _Peak_general_char.Intensity_val _Peak_general_char.Intensity_val_err _Peak_general_char.Measurement_method _Peak_general_char.Entry_ID _Peak_general_char.Spectral_peak_list_ID 1 13746686.00 . height 50014 5 1 291169000.00 . volume 50014 5 2 10769659.00 . height 50014 5 2 240992975.50 . volume 50014 5 3 7722345.50 . height 50014 5 3 159240595.75 . volume 50014 5 4 21211400.00 . height 50014 5 4 418167639.00 . volume 50014 5 5 26184916.00 . height 50014 5 5 506497606.00 . volume 50014 5 6 21639602.00 . height 50014 5 6 433631184.00 . volume 50014 5 7 16272713.00 . height 50014 5 7 325651707.00 . volume 50014 5 8 14092411.00 . height 50014 5 8 285543809.50 . volume 50014 5 9 13129164.00 . height 50014 5 9 266821542.00 . volume 50014 5 10 21103036.00 . height 50014 5 10 424043058.00 . volume 50014 5 11 13124139.00 . height 50014 5 11 270120624.00 . volume 50014 5 12 21047244.00 . height 50014 5 12 445700899.00 . volume 50014 5 13 8939027.00 . height 50014 5 13 186275360.00 . volume 50014 5 14 13462246.00 . height 50014 5 14 276157243.00 . volume 50014 5 15 17959014.00 . height 50014 5 15 368334845.00 . volume 50014 5 16 18565954.00 . height 50014 5 16 370197970.00 . volume 50014 5 17 13491390.00 . height 50014 5 17 274054455.50 . volume 50014 5 18 8611181.00 . height 50014 5 18 182402659.50 . volume 50014 5 19 20095164.00 . height 50014 5 19 406227487.00 . volume 50014 5 20 20733210.00 . height 50014 5 20 416709508.00 . volume 50014 5 21 16897688.00 . height 50014 5 21 336400739.00 . volume 50014 5 22 10792882.00 . height 50014 5 22 222316026.00 . volume 50014 5 23 10204218.00 . height 50014 5 23 213296923.00 . volume 50014 5 24 25247096.00 . height 50014 5 24 505939193.00 . volume 50014 5 25 22472796.00 . height 50014 5 25 452697650.00 . volume 50014 5 26 10497536.00 . height 50014 5 26 219463919.50 . volume 50014 5 27 22491508.00 . height 50014 5 27 457857105.00 . volume 50014 5 28 21794130.00 . height 50014 5 28 441957026.00 . volume 50014 5 29 9908736.00 . height 50014 5 29 204261112.50 . volume 50014 5 30 18630152.00 . height 50014 5 30 377473000.00 . volume 50014 5 31 14097466.00 . height 50014 5 31 291344121.00 . volume 50014 5 32 23093106.00 . height 50014 5 32 465243377.00 . volume 50014 5 33 12560092.00 . height 50014 5 33 259945551.00 . volume 50014 5 34 4553432.50 . height 50014 5 34 97595962.25 . volume 50014 5 35 11767958.00 . height 50014 5 35 242243488.50 . volume 50014 5 36 10054360.00 . height 50014 5 36 208252800.00 . volume 50014 5 37 4255378.00 . height 50014 5 37 91022924.50 . volume 50014 5 38 6746562.00 . height 50014 5 38 142816975.50 . volume 50014 5 39 6377523.00 . height 50014 5 39 134667790.50 . volume 50014 5 40 5421825.00 . height 50014 5 40 116222880.50 . volume 50014 5 41 16582858.00 . height 50014 5 41 345383830.50 . volume 50014 5 42 9654355.00 . height 50014 5 42 200808460.50 . volume 50014 5 43 8180799.50 . height 50014 5 43 173855806.50 . volume 50014 5 44 8512033.00 . height 50014 5 44 181917547.50 . volume 50014 5 stop_ loop_ _Peak_char.Peak_ID _Peak_char.Spectral_dim_ID _Peak_char.Chem_shift_val _Peak_char.Chem_shift_val_err _Peak_char.Line_width_val _Peak_char.Line_width_val_err _Peak_char.Phase_val _Peak_char.Phase_val_err _Peak_char.Decay_rate_val _Peak_char.Decay_rate_val_err _Peak_char.Coupling_pattern _Peak_char.Bounding_box_upper_val _Peak_char.Bounding_box_lower_val _Peak_char.Bounding_box_range_val _Peak_char.Details _Peak_char.Derivation_method_ID _Peak_char.Entry_ID _Peak_char.Spectral_peak_list_ID 1 1 8.302 . 18.2512928458 . . . . . . . . . . . 50014 5 1 2 125.111 . 26.1833691136 . . . . . . . . . . . 50014 5 1 3 176.014 . 28.2901125553 . . . . . . . . . . . 50014 5 2 1 8.301 . 19.1161445543 . . . . . . . . . . . 50014 5 2 2 125.244 . 28.0684793094 . . . . . . . . . . . 50014 5 2 3 176.071 . 29.6198207923 . . . . . . . . . . . 50014 5 3 1 8.142 . 19.7060552298 . . . . . . . . . . . 50014 5 3 2 124.800 . 24.8857969212 . . . . . . . . . . . 50014 5 3 3 175.611 . 18.2323125534 . . . . . . . . . . . 50014 5 4 1 8.281 . 16.8672379325 . . . . . . . . . . . 50014 5 4 2 124.670 . 24.6084121020 . . . . . . . . . . . 50014 5 4 3 175.954 . 16.3172553112 . . . . . . . . . . . 50014 5 5 1 8.226 . 15.8928188623 . . . . . . . . . . . 50014 5 5 2 124.453 . 23.6723455534 . . . . . . . . . . . 50014 5 5 3 176.155 . 17.2398156590 . . . . . . . . . . . 50014 5 6 1 8.259 . 17.6217918303 . . . . . . . . . . . 50014 5 6 2 123.624 . 23.9933050445 . . . . . . . . . . . 50014 5 6 3 175.545 . 16.9772176343 . . . . . . . . . . . 50014 5 7 1 8.135 . 17.3855645984 . . . . . . . . . . . 50014 5 7 2 123.646 . 24.4766609312 . . . . . . . . . . . 50014 5 7 3 177.349 . 17.8116719100 . . . . . . . . . . . 50014 5 8 1 7.997 . 18.5697686438 . . . . . . . . . . . 50014 5 8 2 123.576 . 24.2036071062 . . . . . . . . . . . 50014 5 8 3 173.922 . 18.3404696108 . . . . . . . . . . . 50014 5 9 1 8.287 . 17.8022127525 . . . . . . . . . . . 50014 5 9 2 122.830 . 24.6260537554 . . . . . . . . . . . 50014 5 9 3 176.268 . 18.1905441470 . . . . . . . . . . . 50014 5 10 1 8.360 . 17.3646737547 . . . . . . . . . . . 50014 5 10 2 122.451 . 23.9545272927 . . . . . . . . . . . 50014 5 10 3 176.503 . 17.8169399973 . . . . . . . . . . . 50014 5 11 1 8.094 . 19.2850243812 . . . . . . . . . . . 50014 5 11 2 122.491 . 24.1548754804 . . . . . . . . . . . 50014 5 11 3 175.367 . 18.6653708311 . . . . . . . . . . . 50014 5 12 1 8.164 . 19.7636146171 . . . . . . . . . . . 50014 5 12 2 122.309 . 27.0399529193 . . . . . . . . . . . 50014 5 12 3 176.181 . 18.6011324197 . . . . . . . . . . . 50014 5 13 1 8.202 . 20.3887329382 . . . . . . . . . . . 50014 5 13 2 122.115 . 24.4733782706 . . . . . . . . . . . 50014 5 13 3 176.254 . 18.4809340199 . . . . . . . . . . . 50014 5 14 1 8.065 . 18.8897053401 . . . . . . . . . . . 50014 5 14 2 122.269 . 24.1831910753 . . . . . . . . . . . 50014 5 14 3 176.016 . 18.3046681196 . . . . . . . . . . . 50014 5 15 1 8.017 . 18.0654666003 . . . . . . . . . . . 50014 5 15 2 122.120 . 24.1393516726 . . . . . . . . . . . 50014 5 15 3 175.745 . 19.8227911112 . . . . . . . . . . . 50014 5 16 1 7.987 . 17.0787759856 . . . . . . . . . . . 50014 5 16 2 121.418 . 24.8534044737 . . . . . . . . . . . 50014 5 16 3 174.476 . 16.9661438998 . . . . . . . . . . . 50014 5 17 1 7.992 . 18.6577147129 . . . . . . . . . . . 50014 5 17 2 121.241 . 25.4305385608 . . . . . . . . . . . 50014 5 17 3 174.224 . 17.6092805973 . . . . . . . . . . . 50014 5 18 1 8.075 . 20.8014366673 . . . . . . . . . . . 50014 5 18 2 121.350 . 29.2040522021 . . . . . . . . . . . 50014 5 18 3 174.214 . 16.8091764010 . . . . . . . . . . . 50014 5 19 1 8.046 . 17.8834386900 . . . . . . . . . . . 50014 5 19 2 121.299 . 24.5208603676 . . . . . . . . . . . 50014 5 19 3 176.635 . 17.6940000418 . . . . . . . . . . . 50014 5 20 1 8.280 . 17.0904631708 . . . . . . . . . . . 50014 5 20 2 121.065 . 24.7718038852 . . . . . . . . . . . 50014 5 20 3 176.393 . 17.4993495921 . . . . . . . . . . . 50014 5 21 1 8.280 . 16.7453990263 . . . . . . . . . . . 50014 5 21 2 120.975 . 24.3658128959 . . . . . . . . . . . 50014 5 21 3 174.563 . 17.9574044064 . . . . . . . . . . . 50014 5 22 1 8.501 . 19.3078143924 . . . . . . . . . . . 50014 5 22 2 120.982 . 24.1519104967 . . . . . . . . . . . 50014 5 22 3 176.649 . 17.7369510801 . . . . . . . . . . . 50014 5 23 1 8.087 . 20.3056078331 . . . . . . . . . . . 50014 5 23 2 120.847 . 26.0019756434 . . . . . . . . . . . 50014 5 23 3 173.823 . 17.8364534227 . . . . . . . . . . . 50014 5 24 1 8.070 . 17.2827173682 . . . . . . . . . . . 50014 5 24 2 120.847 . 24.0632574825 . . . . . . . . . . . 50014 5 24 3 176.077 . 16.9362018119 . . . . . . . . . . . 50014 5 25 1 7.957 . 17.4548111710 . . . . . . . . . . . 50014 5 25 2 120.895 . 24.4902998565 . . . . . . . . . . . 50014 5 25 3 177.667 . 18.2570940660 . . . . . . . . . . . 50014 5 26 1 8.121 . 20.3716404298 . . . . . . . . . . . 50014 5 26 2 120.639 . 23.8283460556 . . . . . . . . . . . 50014 5 26 3 175.915 . 18.5927464849 . . . . . . . . . . . 50014 5 27 1 8.095 . 17.0115746704 . . . . . . . . . . . 50014 5 27 2 120.508 . 24.7435518257 . . . . . . . . . . . 50014 5 27 3 175.683 . 19.3063572888 . . . . . . . . . . . 50014 5 28 1 8.214 . 17.3053612896 . . . . . . . . . . . 50014 5 28 2 120.382 . 23.7829818042 . . . . . . . . . . . 50014 5 28 3 176.173 . 19.4282758804 . . . . . . . . . . . 50014 5 29 1 8.279 . 19.1450703378 . . . . . . . . . . . 50014 5 29 2 120.331 . 25.4806467862 . . . . . . . . . . . 50014 5 29 3 176.841 . 17.5397203426 . . . . . . . . . . . 50014 5 30 1 8.359 . 17.7345731679 . . . . . . . . . . . 50014 5 30 2 120.254 . 23.9663872277 . . . . . . . . . . . 50014 5 30 3 177.815 . 19.0735400841 . . . . . . . . . . . 50014 5 31 1 7.957 . 18.7441998837 . . . . . . . . . . . 50014 5 31 2 120.276 . 25.6050066761 . . . . . . . . . . . 50014 5 31 3 177.700 . 18.5485053028 . . . . . . . . . . . 50014 5 32 1 7.979 . 17.6064523996 . . . . . . . . . . . 50014 5 32 2 120.232 . 24.1658459203 . . . . . . . . . . . 50014 5 32 3 175.031 . 17.5472461816 . . . . . . . . . . . 50014 5 33 1 7.907 . 19.0749472263 . . . . . . . . . . . 50014 5 33 2 120.212 . 24.2801248655 . . . . . . . . . . . 50014 5 33 3 174.423 . 18.9701673100 . . . . . . . . . . . 50014 5 34 1 8.393 . 23.8273950184 . . . . . . . . . . . 50014 5 34 2 119.897 . 25.1087954669 . . . . . . . . . . . 50014 5 34 3 175.965 . 17.6023460742 . . . . . . . . . . . 50014 5 35 1 8.207 . 18.9959126360 . . . . . . . . . . . 50014 5 35 2 119.676 . 24.3624243430 . . . . . . . . . . . 50014 5 35 3 177.740 . 18.9878530317 . . . . . . . . . . . 50014 5 36 1 8.406 . 19.4747950517 . . . . . . . . . . . 50014 5 36 2 118.696 . 23.9856172652 . . . . . . . . . . . 50014 5 36 3 176.715 . 19.1811595816 . . . . . . . . . . . 50014 5 37 1 8.255 . 23.0554564326 . . . . . . . . . . . 50014 5 37 2 117.211 . 23.9253857381 . . . . . . . . . . . 50014 5 37 3 177.216 . 19.6999049118 . . . . . . . . . . . 50014 5 38 1 8.000 . 21.4302072338 . . . . . . . . . . . 50014 5 38 2 115.908 . 24.4483241579 . . . . . . . . . . . 50014 5 38 3 176.463 . 19.0909570258 . . . . . . . . . . . 50014 5 39 1 8.219 . 22.0367721483 . . . . . . . . . . . 50014 5 39 2 109.897 . 24.6113982642 . . . . . . . . . . . 50014 5 39 3 176.262 . 18.8781370504 . . . . . . . . . . . 50014 5 40 1 8.286 . 23.0184957093 . . . . . . . . . . . 50014 5 40 2 109.698 . 24.7916692763 . . . . . . . . . . . 50014 5 40 3 176.671 . 19.1390686393 . . . . . . . . . . . 50014 5 41 1 8.258 . 19.0759698550 . . . . . . . . . . . 50014 5 41 2 109.424 . 24.4865300914 . . . . . . . . . . . 50014 5 41 3 176.567 . 19.7109248903 . . . . . . . . . . . 50014 5 42 1 8.358 . 20.3909242854 . . . . . . . . . . . 50014 5 42 2 109.302 . 24.1573321813 . . . . . . . . . . . 50014 5 42 3 178.091 . 18.8846415256 . . . . . . . . . . . 50014 5 43 1 8.168 . 21.1687064638 . . . . . . . . . . . 50014 5 43 2 107.542 . 24.3426860226 . . . . . . . . . . . 50014 5 43 3 178.280 . 20.2546398791 . . . . . . . . . . . 50014 5 44 1 7.395 . 21.6943376205 . . . . . . . . . . . 50014 5 44 2 108.117 . 23.9137799446 . . . . . . . . . . . 50014 5 44 3 176.631 . 20.7799165624 . . . . . . . . . . . 50014 5 stop_ loop_ _Assigned_peak_chem_shift.Peak_ID _Assigned_peak_chem_shift.Spectral_dim_ID _Assigned_peak_chem_shift.Set_ID _Assigned_peak_chem_shift.Magnetization_linkage_ID _Assigned_peak_chem_shift.Assembly_atom_ID _Assigned_peak_chem_shift.Val _Assigned_peak_chem_shift.Contribution_fractional_val _Assigned_peak_chem_shift.Figure_of_merit _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID _Assigned_peak_chem_shift.Atom_chem_shift_ID _Assigned_peak_chem_shift.Entity_assembly_ID _Assigned_peak_chem_shift.Entity_ID _Assigned_peak_chem_shift.Comp_index_ID _Assigned_peak_chem_shift.Comp_ID _Assigned_peak_chem_shift.Atom_ID _Assigned_peak_chem_shift.Ambiguity_code _Assigned_peak_chem_shift.Ambiguity_set_ID _Assigned_peak_chem_shift.Auth_atom_peak_num _Assigned_peak_chem_shift.Auth_entity_ID _Assigned_peak_chem_shift.Auth_seq_ID _Assigned_peak_chem_shift.Auth_comp_ID _Assigned_peak_chem_shift.Auth_atom_ID _Assigned_peak_chem_shift.Auth_ambiguity_code _Assigned_peak_chem_shift.Auth_ambiguity_set_ID _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID _Assigned_peak_chem_shift.Resonance_ID _Assigned_peak_chem_shift.Details _Assigned_peak_chem_shift.Entry_ID _Assigned_peak_chem_shift.Spectral_peak_list_ID 1 1 1 . . 8.302 . . 1 . 1 1 29 LYS H . . . . . . . . . . 252 . 50014 5 1 2 1 . . 125.111 . . 1 . 1 1 29 LYS N . . . . . . . . . . 253 . 50014 5 1 3 2 . . 176.014 . . 1 . 1 1 28 VAL C . . . . . . . . . . 264 . 50014 5 2 1 1 . . 8.301 . . 1 . 1 1 26 LYS H . . . . . . . . . . 254 . 50014 5 2 2 1 . . 125.244 . . 1 . 1 1 26 LYS N . . . . . . . . . . 255 . 50014 5 2 3 1 . . 176.071 . . 1 . 1 1 25 VAL C . . . . . . . . . . 263 . 50014 5 3 1 1 . . 8.142 . . 1 . 1 1 32 ALA H . . . . . . . . . . 5 . 50014 5 3 2 1 . . 124.800 . . 1 . 1 1 32 ALA N . . . . . . . . . . 6 . 50014 5 3 3 1 . . 175.611 . . 1 . 1 1 31 TYR C . . . . . . . . . . 206 . 50014 5 4 1 2 . . 8.281 . . 1 . 1 1 43 LYS H . . . . . . . . . . 194 . 50014 5 4 2 2 . . 124.670 . . 1 . 1 1 43 LYS N . . . . . . . . . . 195 . 50014 5 4 3 1 . . 175.954 . . 1 . 1 1 42 VAL C . . . . . . . . . . 207 . 50014 5 5 1 1 . . 8.226 . . 1 . 1 1 45 ALA H . . . . . . . . . . 11 . 50014 5 5 2 1 . . 124.453 . . 1 . 1 1 45 ALA N . . . . . . . . . . 12 . 50014 5 5 3 1 . . 176.155 . . 1 . 1 1 44 GLU C . . . . . . . . . . 208 . 50014 5 6 1 1 . . 8.259 . . 1 . 1 1 5 ASP H . . . . . . . . . . 15 . 50014 5 6 2 1 . . 123.624 . . 1 . 1 1 5 ASP N . . . . . . . . . . 16 . 50014 5 6 3 2 . . 175.545 . . 1 . 1 1 4 VAL C . . . . . . . . . . 209 . 50014 5 7 1 1 . . 8.135 . . 1 . 1 1 35 ALA H . . . . . . . . . . 20 . 50014 5 7 2 1 . . 123.646 . . 1 . 1 1 35 ALA N . . . . . . . . . . 21 . 50014 5 7 3 1 . . 177.349 . . 1 . 1 1 34 LEU C . . . . . . . . . . 210 . 50014 5 8 1 1 . . 7.997 . . 1 . 1 1 39 ALA H . . . . . . . . . . 24 . 50014 5 8 2 1 . . 123.576 . . 1 . 1 1 39 ALA N . . . . . . . . . . 25 . 50014 5 8 3 1 . . 173.922 . . 1 . 1 1 38 GLY C . . . . . . . . . . 211 . 50014 5 9 1 1 . . 8.287 . . 1 . 1 1 27 GLU H . . . . . . . . . . 27 . 50014 5 9 2 1 . . 122.830 . . 1 . 1 1 27 GLU N . . . . . . . . . . 28 . 50014 5 9 3 2 . . 176.268 . . 1 . 1 1 26 LYS C . . . . . . . . . . 259 . 50014 5 10 1 1 . . 8.360 . . 1 . 1 1 44 GLU H . . . . . . . . . . 31 . 50014 5 10 2 1 . . 122.451 . . 1 . 1 1 44 GLU N . . . . . . . . . . 32 . 50014 5 10 3 1 . . 176.503 . . 1 . 1 1 43 LYS C . . . . . . . . . . 214 . 50014 5 11 1 1 . . 8.094 . . 1 . 1 1 34 LEU H . . . . . . . . . . 39 . 50014 5 11 2 1 . . 122.491 . . 1 . 1 1 34 LEU N . . . . . . . . . . 40 . 50014 5 11 3 1 . . 175.367 . . 1 . 1 1 33 ASN C . . . . . . . . . . 213 . 50014 5 12 1 1 . . 8.164 . . 1 . 1 1 28 VAL H . . . . . . . . . . 35 . 50014 5 12 2 1 . . 122.309 . . 1 . 1 1 28 VAL N . . . . . . . . . . 36 . 50014 5 12 3 2 . . 176.181 . . 1 . 1 1 27 GLU C . . . . . . . . . . 216 . 50014 5 13 1 1 . . 8.202 . . 1 . 1 1 22 ARG H . . . . . . . . . . 57 . 50014 5 13 2 1 . . 122.115 . . 1 . 1 1 22 ARG N . . . . . . . . . . 58 . 50014 5 13 3 1 . . 176.254 . . 1 . 1 1 21 MET C . . . . . . . . . . 215 . 50014 5 14 1 1 . . 8.065 . . 1 . 1 1 18 ASP H . . . . . . . . . . 43 . 50014 5 14 2 1 . . 122.269 . . 1 . 1 1 18 ASP N . . . . . . . . . . 44 . 50014 5 14 3 1 . . 176.016 . . 1 . 1 1 17 TRP C . . . . . . . . . . 217 . 50014 5 15 1 1 . . 8.017 . . 1 . 1 1 11 LEU H . . . . . . . . . . 47 . 50014 5 15 2 1 . . 122.120 . . 1 . 1 1 11 LEU N . . . . . . . . . . 48 . 50014 5 15 3 1 . . 175.745 . . 1 . 1 1 10 ASN C . . . . . . . . . . 218 . 50014 5 16 1 1 . . 7.987 . . 1 . 1 1 37 LEU H . . . . . . . . . . 70 . 50014 5 16 2 1 . . 121.418 . . 1 . 1 1 37 LEU N . . . . . . . . . . 71 . 50014 5 16 3 1 . . 174.476 . . 1 . 1 1 36 GLY C . . . . . . . . . . 219 . 50014 5 17 1 1 . . 7.992 . . 1 . 1 1 17 TRP H . . . . . . . . . . 72 . 50014 5 17 2 1 . . 121.241 . . 1 . 1 1 17 TRP N . . . . . . . . . . 73 . 50014 5 17 3 1 . . 174.224 . . 1 . 1 1 16 GLY C . . . . . . . . . . 220 . 50014 5 18 1 1 . . 8.075 . . 1 . 1 1 15 PHE H . . . . . . . . . . 80 . 50014 5 18 2 1 . . 121.350 . . 1 . 1 1 15 PHE N . . . . . . . . . . 81 . 50014 5 18 3 1 . . 174.214 . . 1 . 1 1 14 SER C . . . . . . . . . . 221 . 50014 5 19 1 1 . . 8.046 . . 1 . 1 1 25 VAL H . . . . . . . . . . 76 . 50014 5 19 2 1 . . 121.299 . . 1 . 1 1 25 VAL N . . . . . . . . . . 77 . 50014 5 19 3 1 . . 176.635 . . 1 . 1 1 24 LYS C . . . . . . . . . . 222 . 50014 5 20 1 1 . . 8.280 . . 1 . 1 1 47 ASP H . . . . . . . . . . 85 . 50014 5 20 2 1 . . 121.065 . . 1 . 1 1 47 ASP N . . . . . . . . . . 86 . 50014 5 20 3 1 . . 176.393 . . 1 . 1 1 46 GLU C . . . . . . . . . . 223 . 50014 5 21 1 1 . . 8.280 . . 1 . 1 1 9 GLU H . . . . . . . . . . 83 . 50014 5 21 2 1 . . 120.975 . . 1 . 1 1 9 GLU N . . . . . . . . . . 84 . 50014 5 21 3 1 . . 174.563 . . 1 . 1 1 8 GLY C . . . . . . . . . . 224 . 50014 5 22 1 1 . . 8.501 . . 1 . 1 1 3 MET H . . . . . . . . . . 90 . 50014 5 22 2 1 . . 120.982 . . 1 . 1 1 3 MET N . . . . . . . . . . 91 . 50014 5 22 3 1 . . 176.649 . . 1 . 1 1 2 PRO C . . . . . . . . . . 225 . 50014 5 23 1 1 . . 8.087 . . 1 . 1 1 24 LYS H . . . . . . . . . . 106 . 50014 5 23 2 1 . . 120.847 . . 1 . 1 1 24 LYS N . . . . . . . . . . 107 . 50014 5 23 3 1 . . 173.823 . . 1 . 1 1 23 GLY C . . . . . . . . . . 226 . 50014 5 24 1 1 . . 8.070 . . 1 . 1 1 4 VAL H . . . . . . . . . . 101 . 50014 5 24 2 1 . . 120.847 . . 1 . 1 1 4 VAL N . . . . . . . . . . 102 . 50014 5 24 3 1 . . 176.077 . . 1 . 1 1 3 MET C . . . . . . . . . . 227 . 50014 5 25 1 1 . . 7.957 . . 1 . 1 1 12 LEU H . . . . . . . . . . 97 . 50014 5 25 2 1 . . 120.895 . . 1 . 1 1 12 LEU N . . . . . . . . . . 98 . 50014 5 25 3 1 . . 177.667 . . 1 . 1 1 11 LEU C . . . . . . . . . . 228 . 50014 5 26 1 1 . . 8.121 . . 1 . 1 1 31 TYR H . . . . . . . . . . 109 . 50014 5 26 2 1 . . 120.639 . . 1 . 1 1 31 TYR N . . . . . . . . . . 110 . 50014 5 26 3 1 . . 175.915 . . 1 . 1 1 30 ARG C . . . . . . . . . . 229 . 50014 5 27 1 1 . . 8.095 . . 1 . 1 1 6 ASP H . . . . . . . . . . 113 . 50014 5 27 2 1 . . 120.508 . . 1 . 1 1 6 ASP N . . . . . . . . . . 114 . 50014 5 27 3 1 . . 175.683 . . 1 . 1 1 5 ASP C . . . . . . . . . . 230 . 50014 5 28 1 1 . . 8.214 . . 1 . 1 1 7 PHE H . . . . . . . . . . 127 . 50014 5 28 2 1 . . 120.382 . . 1 . 1 1 7 PHE N . . . . . . . . . . 128 . 50014 5 28 3 1 . . 176.173 . . 1 . 1 1 6 ASP C . . . . . . . . . . 231 . 50014 5 29 1 1 . . 8.279 . . 1 . 1 1 21 MET H . . . . . . . . . . 131 . 50014 5 29 2 1 . . 120.331 . . 1 . 1 1 21 MET N . . . . . . . . . . 132 . 50014 5 29 3 1 . . 176.841 . . 1 . 1 1 20 LYS C . . . . . . . . . . 232 . 50014 5 30 1 1 . . 8.359 . . 1 . 1 1 46 GLU H . . . . . . . . . . 135 . 50014 5 30 2 1 . . 120.254 . . 1 . 1 1 46 GLU N . . . . . . . . . . 136 . 50014 5 30 3 1 . . 177.815 . . 1 . 1 1 45 ALA C . . . . . . . . . . 233 . 50014 5 31 1 1 . . 7.957 . . 1 . 1 1 13 ARG H . . . . . . . . . . 120 . 50014 5 31 2 1 . . 120.276 . . 1 . 1 1 13 ARG N . . . . . . . . . . 121 . 50014 5 31 3 1 . . 177.700 . . 1 . 1 1 12 LEU C . . . . . . . . . . 234 . 50014 5 32 1 1 . . 7.979 . . 1 . 1 1 42 VAL H . . . . . . . . . . 200 . 50014 5 32 2 1 . . 120.232 . . 1 . 1 1 42 VAL N . . . . . . . . . . 201 . 50014 5 32 3 1 . . 175.031 . . 1 . 1 1 41 ASN C . . . . . . . . . . 235 . 50014 5 33 1 1 . . 7.907 . . 1 . 1 1 20 LYS H . . . . . . . . . . 117 . 50014 5 33 2 1 . . 120.212 . . 1 . 1 1 20 LYS N . . . . . . . . . . 118 . 50014 5 33 3 1 . . 174.423 . . 1 . 1 1 19 GLY C . . . . . . . . . . 236 . 50014 5 34 1 1 . . 8.393 . . 1 . 1 1 41 ASN H . . . . . . . . . . 138 . 50014 5 34 2 1 . . 119.897 . . 1 . 1 1 41 ASN N . . . . . . . . . . 139 . 50014 5 34 3 1 . . 175.965 . . 1 . 1 1 40 ARG C . . . . . . . . . . 237 . 50014 5 35 1 1 . . 8.207 . . 1 . 1 1 40 ARG H . . . . . . . . . . 143 . 50014 5 35 2 1 . . 119.676 . . 1 . 1 1 40 ARG N . . . . . . . . . . 144 . 50014 5 35 3 1 . . 177.740 . . 1 . 1 1 39 ALA C . . . . . . . . . . 248 . 50014 5 36 1 1 . . 8.406 . . 1 . 1 1 10 ASN H . . . . . . . . . . 147 . 50014 5 36 2 1 . . 118.696 . . 1 . 1 1 10 ASN N . . . . . . . . . . 148 . 50014 5 36 3 1 . . 176.715 . . 1 . 1 1 9 GLU C . . . . . . . . . . 238 . 50014 5 37 1 1 . . 8.255 . . 1 . 1 1 33 ASN H . . . . . . . . . . 151 . 50014 5 37 2 1 . . 117.211 . . 1 . 1 1 33 ASN N . . . . . . . . . . 152 . 50014 5 37 3 1 . . 177.216 . . 1 . 1 1 32 ALA C . . . . . . . . . . 239 . 50014 5 38 1 1 . . 8.000 . . 1 . 1 1 14 SER H . . . . . . . . . . 155 . 50014 5 38 2 1 . . 115.908 . . 1 . 1 1 14 SER N . . . . . . . . . . 156 . 50014 5 38 3 1 . . 176.463 . . 1 . 1 1 13 ARG C . . . . . . . . . . 240 . 50014 5 39 1 1 . . 8.219 . . 1 . 1 1 16 GLY H . . . . . . . . . . 173 . 50014 5 39 2 1 . . 109.897 . . 1 . 1 1 16 GLY N . . . . . . . . . . 174 . 50014 5 39 3 1 . . 176.262 . . 1 . 1 1 15 PHE C . . . . . . . . . . 241 . 50014 5 40 1 1 . . 8.286 . . 1 . 1 1 23 GLY H . . . . . . . . . . 181 . 50014 5 40 2 1 . . 109.698 . . 1 . 1 1 23 GLY N . . . . . . . . . . 182 . 50014 5 40 3 2 . . 176.671 . . 1 . 1 1 22 ARG C . . . . . . . . . . 243 . 50014 5 41 1 1 . . 8.258 . . 1 . 1 1 8 GLY H . . . . . . . . . . 169 . 50014 5 41 2 1 . . 109.424 . . 1 . 1 1 8 GLY N . . . . . . . . . . 170 . 50014 5 41 3 1 . . 176.567 . . 1 . 1 1 7 PHE C . . . . . . . . . . 244 . 50014 5 42 1 1 . . 8.358 . . 1 . 1 1 38 GLY H . . . . . . . . . . 167 . 50014 5 42 2 1 . . 109.302 . . 1 . 1 1 38 GLY N . . . . . . . . . . 168 . 50014 5 42 3 1 . . 178.091 . . 1 . 1 1 37 LEU C . . . . . . . . . . 245 . 50014 5 43 1 1 . . 8.168 . . 1 . 1 1 36 GLY H . . . . . . . . . . 163 . 50014 5 43 2 1 . . 107.542 . . 1 . 1 1 36 GLY N . . . . . . . . . . 164 . 50014 5 43 3 1 . . 178.280 . . 1 . 1 1 35 ALA C . . . . . . . . . . 246 . 50014 5 44 1 1 . . 7.395 . . 1 . 1 1 19 GLY H . . . . . . . . . . 159 . 50014 5 44 2 1 . . 108.117 . . 1 . 1 1 19 GLY N . . . . . . . . . . 160 . 50014 5 44 3 1 . . 176.631 . . 1 . 1 1 18 ASP C . . . . . . . . . . 247 . 50014 5 stop_ save_