data_34513 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34513 _Entry.Title ; Solution NMR structure of the oligomerization domain of respiratory syncytial virus phosphoprotein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-04-15 _Entry.Accession_date 2020-04-15 _Entry.Last_release_date 2020-04-17 _Entry.Original_release_date 2020-04-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34513 stop_ 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 C. Cardone C. . . . 34513 2 F. Bontems F. . . . 34513 3 B. Bardiaux B. . . . 34513 4 C. Sizun C. . . . 34513 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Coiled-coil . 34513 Phosphoprotein . 34513 'RNA dependent RNA polymerase cofactor' . 34513 Tetramer . 34513 'VIRAL PROTEIN' . 34513 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34513 spectral_peak_list 3 34513 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 166 34513 '15N chemical shifts' 38 34513 '1H chemical shifts' 278 34513 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-06-15 2020-04-15 update BMRB 'update entry citation' 34513 1 . . 2021-04-23 2020-04-15 original author 'original release' 34513 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6YP5 . 34513 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34513 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34439894 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A Structural and Dynamic Analysis of the Partially Disordered Polymerase-Binding Domain in RSV Phosphoprotein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biomolecules _Citation.Journal_name_full Biomolecules _Citation.Journal_volume 11 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2218-273X _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1225 _Citation.Page_last 1225 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Christophe Cardone C. . . . 34513 1 2 Claire-Marie Caseau C. M. . . 34513 1 3 Benjamin Bardiaux B. . . . 34513 1 4 Aurelien Thureaux A. . . . 34513 1 5 Marie Galloux M. . . . 34513 1 6 Monika Bajorek M. . . . 34513 1 7 Jean-Francois Eleouet J. F. . . 34513 1 8 Marc Litaudon M. . . . 34513 1 9 Francois Bontems F. . . . 34513 1 10 Christina Sizun C. . . . 34513 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34513 _Assembly.ID 1 _Assembly.Name Phosphoprotein _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'entity_1, 1' 1 $entity_1 A A yes . . . . . . 34513 1 2 'entity_1, 2' 1 $entity_1 B B yes . . . . . . 34513 1 3 'entity_1, 3' 1 $entity_1 C C yes . . . . . . 34513 1 4 'entity_1, 4' 1 $entity_1 D D yes . . . . . . 34513 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34513 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B,C,D _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSGSGSGSTNDNITARLDRI DEKLSEILGMLHTLVVASAG PTSAR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 45 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4561.035 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; N-terminal residues GLY119 to SER126 are leftovers from the expression tag. Residues GLY119 to SER124 were not included in the structure calculation. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 119 GLY . 34513 1 2 120 SER . 34513 1 3 121 GLY . 34513 1 4 122 SER . 34513 1 5 123 GLY . 34513 1 6 124 SER . 34513 1 7 125 GLY . 34513 1 8 126 SER . 34513 1 9 127 THR . 34513 1 10 128 ASN . 34513 1 11 129 ASP . 34513 1 12 130 ASN . 34513 1 13 131 ILE . 34513 1 14 132 THR . 34513 1 15 133 ALA . 34513 1 16 134 ARG . 34513 1 17 135 LEU . 34513 1 18 136 ASP . 34513 1 19 137 ARG . 34513 1 20 138 ILE . 34513 1 21 139 ASP . 34513 1 22 140 GLU . 34513 1 23 141 LYS . 34513 1 24 142 LEU . 34513 1 25 143 SER . 34513 1 26 144 GLU . 34513 1 27 145 ILE . 34513 1 28 146 LEU . 34513 1 29 147 GLY . 34513 1 30 148 MET . 34513 1 31 149 LEU . 34513 1 32 150 HIS . 34513 1 33 151 THR . 34513 1 34 152 LEU . 34513 1 35 153 VAL . 34513 1 36 154 VAL . 34513 1 37 155 ALA . 34513 1 38 156 SER . 34513 1 39 157 ALA . 34513 1 40 158 GLY . 34513 1 41 159 PRO . 34513 1 42 160 THR . 34513 1 43 161 SER . 34513 1 44 162 ALA . 34513 1 45 163 ARG . 34513 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 34513 1 . SER 2 2 34513 1 . GLY 3 3 34513 1 . SER 4 4 34513 1 . GLY 5 5 34513 1 . SER 6 6 34513 1 . GLY 7 7 34513 1 . SER 8 8 34513 1 . THR 9 9 34513 1 . ASN 10 10 34513 1 . ASP 11 11 34513 1 . ASN 12 12 34513 1 . ILE 13 13 34513 1 . THR 14 14 34513 1 . ALA 15 15 34513 1 . ARG 16 16 34513 1 . LEU 17 17 34513 1 . ASP 18 18 34513 1 . ARG 19 19 34513 1 . ILE 20 20 34513 1 . ASP 21 21 34513 1 . GLU 22 22 34513 1 . LYS 23 23 34513 1 . LEU 24 24 34513 1 . SER 25 25 34513 1 . GLU 26 26 34513 1 . ILE 27 27 34513 1 . LEU 28 28 34513 1 . GLY 29 29 34513 1 . MET 30 30 34513 1 . LEU 31 31 34513 1 . HIS 32 32 34513 1 . THR 33 33 34513 1 . LEU 34 34 34513 1 . VAL 35 35 34513 1 . VAL 36 36 34513 1 . ALA 37 37 34513 1 . SER 38 38 34513 1 . ALA 39 39 34513 1 . GLY 40 40 34513 1 . PRO 41 41 34513 1 . THR 42 42 34513 1 . SER 43 43 34513 1 . ALA 44 44 34513 1 . ARG 45 45 34513 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34513 _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 . 12814 organism . 'Respiratory syncytial virus' 'Respiratory syncytial virus' . . Viruses . . 'Respiratory syncytial virus' . . . . . . . . . . . . . 34513 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34513 _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)' . . 469008 . . . . . plasmid . . pGEX-P(127-163) . . . 34513 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34513 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '600 uM [U-13C; U-15N] Phosphoprotein(127-163), 20 mM sodium phosphate, 100 mM sodium chloride, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'Phosphoprotein(127-163) [U-13C; U-15N]' '[U-13C; U-15N]' . . 1 $entity_1 . . 600 . . uM 50 . . . 34513 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 2 . . . 34513 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 10 . . . 34513 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34513 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '600 uM [U-13C; U-15N] Phosphoprotein(127-163), 20 mM sodium phosphate, 100 mM sodium chloride, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'Phosphoprotein(127-163) [U-13C; U-15N]' '[U-13C; U-15N]' . . 1 $entity_1 . . 600 . . uM 50 . . . 34513 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 2 . . . 34513 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 10 . . . 34513 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34513 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 300 uM [U-13C; U-15N] Phosphoprotein(127-163), 300 uM Phosphoprotein(127-163), 20 mM sodium phosphate, 100 mM sodium chloride, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'Phosphoprotein(127-163) [U-13C; U-15N]' '[U-13C; U-15N]' . . 1 $entity_1 . . 300 . . uM 30 . . . 34513 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 2 . . . 34513 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 10 . . . 34513 3 4 Phosphoprotein(127-163) 'natural abundance' . . . . . . 300 . . uM 30 . . . 34513 3 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 34513 _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' 133 20 mM 34513 1 pH 6.5 . pH 34513 1 pressure 1 . atm 34513 1 temperature 298 . K 34513 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34513 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version 2.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34513 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34513 1 'structure calculation' . 34513 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34513 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34513 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34513 2 'peak picking' . 34513 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34513 _Software.ID 3 _Software.Type . _Software.Name TALOS-N _Software.Version 4.21 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen and Bax' . . 34513 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34513 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34513 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34513 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34513 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34513 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 34513 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 800 . . . 34513 1 3 NMR_spectrometer_3 Bruker 'AVANCE III' . 950 . . . 34513 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34513 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34513 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34513 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34513 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34513 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34513 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34513 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34513 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34513 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34513 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34513 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34513 1 12 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34513 1 13 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34513 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34513 1 15 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34513 1 16 '1D 1H' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34513 1 17 '3D 1H-15N NOESY-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34513 1 18 '1H-13C NOESY-HSQC with 13C/15N filter in F1' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34513 1 19 '2D 1H-13C HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34513 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 34513 _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 internal indirect 0.101329118 . . . . . 34513 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . . . 34513 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 34513 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 34513 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.15 _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' . . . 34513 1 2 '3D HNCA' . . . 34513 1 3 '3D HN(CO)CA' . . . 34513 1 4 '3D HNCACB' . . . 34513 1 5 '3D HNCO' . . . 34513 1 6 '2D 1H-13C HSQC' . . . 34513 1 7 '2D 1H-15N HSQC' . . . 34513 1 8 '2D 1H-13C HSQC' . . . 34513 1 9 '2D 1H-15N HSQC' . . . 34513 1 10 '3D HCCH-TOCSY' . . . 34513 1 11 '3D CBCA(CO)NH' . . . 34513 1 12 '3D HBHA(CO)NH' . . . 34513 1 13 '3D HN(COCA)CB' . . . 34513 1 14 '3D 1H-13C NOESY' . . . 34513 1 15 '2D 1H-13C HSQC' . . . 34513 1 16 '1D 1H' . . . 34513 1 17 '3D 1H-15N NOESY-HSQC' . . . 34513 1 18 '1H-13C NOESY-HSQC with 13C/15N filter in F1' . . . 34513 1 19 '2D 1H-13C HSQC' . . . 34513 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.89 0.02 . 2 . . . 1 A 119 GLY HA2 . 34513 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.89 0.02 . 2 . . . 1 A 119 GLY HA3 . 34513 1 3 . 1 . 1 1 1 GLY CA C 13 43.57 0.25 . 1 . . . 1 A 119 GLY CA . 34513 1 4 . 1 . 1 2 2 SER HA H 1 4.54 0.02 . 1 . . . 1 A 120 SER HA . 34513 1 5 . 1 . 1 2 2 SER HB2 H 1 3.88 0.02 . 2 . . . 1 A 120 SER HB2 . 34513 1 6 . 1 . 1 2 2 SER HB3 H 1 3.88 0.02 . 2 . . . 1 A 120 SER HB3 . 34513 1 7 . 1 . 1 2 2 SER CA C 13 58.43 0.25 . 1 . . . 1 A 120 SER CA . 34513 1 8 . 1 . 1 2 2 SER CB C 13 63.80 0.25 . 1 . . . 1 A 120 SER CB . 34513 1 9 . 1 . 1 3 3 GLY HA2 H 1 4.04 0.02 . 2 . . . 1 A 121 GLY HA2 . 34513 1 10 . 1 . 1 3 3 GLY HA3 H 1 4.05 0.02 . 2 . . . 1 A 121 GLY HA3 . 34513 1 11 . 1 . 1 3 3 GLY CA C 13 45.16 0.25 . 1 . . . 1 A 121 GLY CA . 34513 1 12 . 1 . 1 4 4 SER HA H 1 4.50 0.02 . 1 . . . 1 A 122 SER HA . 34513 1 13 . 1 . 1 4 4 SER HB2 H 1 3.92 0.02 . 2 . . . 1 A 122 SER HB2 . 34513 1 14 . 1 . 1 4 4 SER HB3 H 1 3.92 0.02 . 2 . . . 1 A 122 SER HB3 . 34513 1 15 . 1 . 1 4 4 SER CA C 13 58.46 0.25 . 1 . . . 1 A 122 SER CA . 34513 1 16 . 1 . 1 4 4 SER CB C 13 63.70 0.25 . 1 . . . 1 A 122 SER CB . 34513 1 17 . 1 . 1 5 5 GLY HA2 H 1 4.04 0.02 . 2 . . . 1 A 123 GLY HA2 . 34513 1 18 . 1 . 1 5 5 GLY HA3 H 1 4.05 0.02 . 2 . . . 1 A 123 GLY HA3 . 34513 1 19 . 1 . 1 5 5 GLY CA C 13 45.15 0.25 . 1 . . . 1 A 123 GLY CA . 34513 1 20 . 1 . 1 6 6 SER HA H 1 4.50 0.02 . 1 . . . 1 A 124 SER HA . 34513 1 21 . 1 . 1 6 6 SER HB2 H 1 3.93 0.02 . 1 . . . 1 A 124 SER HB2 . 34513 1 22 . 1 . 1 6 6 SER HB3 H 1 3.93 0.02 . 1 . . . 1 A 124 SER HB3 . 34513 1 23 . 1 . 1 6 6 SER CA C 13 58.47 0.25 . 1 . . . 1 A 124 SER CA . 34513 1 24 . 1 . 1 6 6 SER CB C 13 63.84 0.25 . 1 . . . 1 A 124 SER CB . 34513 1 25 . 1 . 1 7 7 GLY H H 1 8.57 0.02 . 1 . . . 1 A 125 GLY H . 34513 1 26 . 1 . 1 7 7 GLY HA2 H 1 4.06 0.02 . 2 . . . 1 A 125 GLY HA2 . 34513 1 27 . 1 . 1 7 7 GLY HA3 H 1 4.05 0.02 . 2 . . . 1 A 125 GLY HA3 . 34513 1 28 . 1 . 1 7 7 GLY CA C 13 45.26 0.25 . 1 . . . 1 A 125 GLY CA . 34513 1 29 . 1 . 1 7 7 GLY N N 15 111.11 0.15 . 1 . . . 1 A 125 GLY N . 34513 1 30 . 1 . 1 8 8 SER H H 1 8.33 0.02 . 1 . . . 1 A 126 SER H . 34513 1 31 . 1 . 1 8 8 SER HA H 1 4.58 0.02 . 1 . . . 1 A 126 SER HA . 34513 1 32 . 1 . 1 8 8 SER HB2 H 1 3.95 0.02 . 2 . . . 1 A 126 SER HB2 . 34513 1 33 . 1 . 1 8 8 SER HB3 H 1 3.88 0.02 . 2 . . . 1 A 126 SER HB3 . 34513 1 34 . 1 . 1 8 8 SER CA C 13 58.12 0.25 . 1 . . . 1 A 126 SER CA . 34513 1 35 . 1 . 1 8 8 SER CB C 13 63.93 0.25 . 1 . . . 1 A 126 SER CB . 34513 1 36 . 1 . 1 8 8 SER N N 15 115.92 0.15 . 1 . . . 1 A 126 SER N . 34513 1 37 . 1 . 1 9 9 THR HA H 1 4.35 0.02 . 1 . . . 1 A 127 THR HA . 34513 1 38 . 1 . 1 9 9 THR HB H 1 4.28 0.02 . 1 . . . 1 A 127 THR HB . 34513 1 39 . 1 . 1 9 9 THR HG21 H 1 1.24 0.02 . 1 . . . 1 A 127 THR HG21 . 34513 1 40 . 1 . 1 9 9 THR HG22 H 1 1.24 0.02 . 1 . . . 1 A 127 THR HG22 . 34513 1 41 . 1 . 1 9 9 THR HG23 H 1 1.24 0.02 . 1 . . . 1 A 127 THR HG23 . 34513 1 42 . 1 . 1 9 9 THR CA C 13 62.49 0.25 . 1 . . . 1 A 127 THR CA . 34513 1 43 . 1 . 1 9 9 THR CB C 13 69.56 0.25 . 1 . . . 1 A 127 THR CB . 34513 1 44 . 1 . 1 9 9 THR CG2 C 13 21.63 0.25 . 1 . . . 1 A 127 THR CG2 . 34513 1 45 . 1 . 1 10 10 ASN HA H 1 4.68 0.02 . 1 . . . 1 A 128 ASN HA . 34513 1 46 . 1 . 1 10 10 ASN HB2 H 1 2.84 0.02 . 2 . . . 1 A 128 ASN HB2 . 34513 1 47 . 1 . 1 10 10 ASN HB3 H 1 2.79 0.02 . 2 . . . 1 A 128 ASN HB3 . 34513 1 48 . 1 . 1 10 10 ASN HD21 H 1 7.64 0.02 . 1 . . . 1 A 128 ASN HD21 . 34513 1 49 . 1 . 1 10 10 ASN HD22 H 1 6.96 0.02 . 1 . . . 1 A 128 ASN HD22 . 34513 1 50 . 1 . 1 10 10 ASN C C 13 175.59 0.25 . 1 . . . 1 A 128 ASN C . 34513 1 51 . 1 . 1 10 10 ASN CA C 13 54.01 0.25 . 1 . . . 1 A 128 ASN CA . 34513 1 52 . 1 . 1 10 10 ASN CB C 13 38.64 0.25 . 1 . . . 1 A 128 ASN CB . 34513 1 53 . 1 . 1 10 10 ASN ND2 N 15 112.58 0.15 . 1 . . . 1 A 128 ASN ND2 . 34513 1 54 . 1 . 1 11 11 ASP H H 1 8.30 0.02 . 1 . . . 1 A 129 ASP H . 34513 1 55 . 1 . 1 11 11 ASP HA H 1 4.57 0.02 . 1 . . . 1 A 129 ASP HA . 34513 1 56 . 1 . 1 11 11 ASP HB2 H 1 2.72 0.02 . 2 . . . 1 A 129 ASP HB2 . 34513 1 57 . 1 . 1 11 11 ASP HB3 H 1 2.70 0.02 . 2 . . . 1 A 129 ASP HB3 . 34513 1 58 . 1 . 1 11 11 ASP C C 13 176.63 0.25 . 1 . . . 1 A 129 ASP C . 34513 1 59 . 1 . 1 11 11 ASP CA C 13 55.09 0.25 . 1 . . . 1 A 129 ASP CA . 34513 1 60 . 1 . 1 11 11 ASP CB C 13 40.75 0.25 . 1 . . . 1 A 129 ASP CB . 34513 1 61 . 1 . 1 11 11 ASP N N 15 120.77 0.15 . 1 . . . 1 A 129 ASP N . 34513 1 62 . 1 . 1 12 12 ASN H H 1 8.28 0.02 . 1 . . . 1 A 130 ASN H . 34513 1 63 . 1 . 1 12 12 ASN HA H 1 4.62 0.02 . 1 . . . 1 A 130 ASN HA . 34513 1 64 . 1 . 1 12 12 ASN HB2 H 1 2.94 0.02 . 2 . . . 1 A 130 ASN HB2 . 34513 1 65 . 1 . 1 12 12 ASN HB3 H 1 2.87 0.02 . 2 . . . 1 A 130 ASN HB3 . 34513 1 66 . 1 . 1 12 12 ASN HD21 H 1 6.99 0.02 . 1 . . . 1 A 130 ASN HD21 . 34513 1 67 . 1 . 1 12 12 ASN HD22 H 1 7.65 0.02 . 1 . . . 1 A 130 ASN HD22 . 34513 1 68 . 1 . 1 12 12 ASN C C 13 176.64 0.25 . 1 . . . 1 A 130 ASN C . 34513 1 69 . 1 . 1 12 12 ASN CA C 13 54.39 0.25 . 1 . . . 1 A 130 ASN CA . 34513 1 70 . 1 . 1 12 12 ASN CB C 13 38.47 0.25 . 1 . . . 1 A 130 ASN CB . 34513 1 71 . 1 . 1 12 12 ASN N N 15 119.10 0.15 . 1 . . . 1 A 130 ASN N . 34513 1 72 . 1 . 1 12 12 ASN ND2 N 15 112.56 0.15 . 1 . . . 1 A 130 ASN ND2 . 34513 1 73 . 1 . 1 13 13 ILE H H 1 8.26 0.02 . 1 . . . 1 A 131 ILE H . 34513 1 74 . 1 . 1 13 13 ILE HA H 1 3.70 0.02 . 1 . . . 1 A 131 ILE HA . 34513 1 75 . 1 . 1 13 13 ILE HB H 1 1.98 0.02 . 1 . . . 1 A 131 ILE HB . 34513 1 76 . 1 . 1 13 13 ILE HG12 H 1 1.07 0.02 . 2 . . . 1 A 131 ILE HG12 . 34513 1 77 . 1 . 1 13 13 ILE HG13 H 1 1.66 0.02 . 2 . . . 1 A 131 ILE HG13 . 34513 1 78 . 1 . 1 13 13 ILE HG21 H 1 0.86 0.02 . 1 . . . 1 A 131 ILE HG21 . 34513 1 79 . 1 . 1 13 13 ILE HG22 H 1 0.86 0.02 . 1 . . . 1 A 131 ILE HG22 . 34513 1 80 . 1 . 1 13 13 ILE HG23 H 1 0.86 0.02 . 1 . . . 1 A 131 ILE HG23 . 34513 1 81 . 1 . 1 13 13 ILE HD11 H 1 0.88 0.02 . 1 . . . 1 A 131 ILE HD11 . 34513 1 82 . 1 . 1 13 13 ILE HD12 H 1 0.88 0.02 . 1 . . . 1 A 131 ILE HD12 . 34513 1 83 . 1 . 1 13 13 ILE HD13 H 1 0.88 0.02 . 1 . . . 1 A 131 ILE HD13 . 34513 1 84 . 1 . 1 13 13 ILE C C 13 177.48 0.25 . 1 . . . 1 A 131 ILE C . 34513 1 85 . 1 . 1 13 13 ILE CA C 13 64.77 0.25 . 1 . . . 1 A 131 ILE CA . 34513 1 86 . 1 . 1 13 13 ILE CB C 13 37.68 0.25 . 1 . . . 1 A 131 ILE CB . 34513 1 87 . 1 . 1 13 13 ILE CG1 C 13 29.02 0.25 . 1 . . . 1 A 131 ILE CG1 . 34513 1 88 . 1 . 1 13 13 ILE CG2 C 13 17.06 0.25 . 1 . . . 1 A 131 ILE CG2 . 34513 1 89 . 1 . 1 13 13 ILE CD1 C 13 13.10 0.25 . 1 . . . 1 A 131 ILE CD1 . 34513 1 90 . 1 . 1 13 13 ILE N N 15 120.69 0.15 . 1 . . . 1 A 131 ILE N . 34513 1 91 . 1 . 1 14 14 THR H H 1 8.33 0.02 . 1 . . . 1 A 132 THR H . 34513 1 92 . 1 . 1 14 14 THR HA H 1 3.62 0.02 . 1 . . . 1 A 132 THR HA . 34513 1 93 . 1 . 1 14 14 THR HB H 1 4.16 0.02 . 1 . . . 1 A 132 THR HB . 34513 1 94 . 1 . 1 14 14 THR HG21 H 1 1.19 0.02 . 1 . . . 1 A 132 THR HG21 . 34513 1 95 . 1 . 1 14 14 THR HG22 H 1 1.19 0.02 . 1 . . . 1 A 132 THR HG22 . 34513 1 96 . 1 . 1 14 14 THR HG23 H 1 1.19 0.02 . 1 . . . 1 A 132 THR HG23 . 34513 1 97 . 1 . 1 14 14 THR C C 13 175.61 0.25 . 1 . . . 1 A 132 THR C . 34513 1 98 . 1 . 1 14 14 THR CA C 13 67.34 0.25 . 1 . . . 1 A 132 THR CA . 34513 1 99 . 1 . 1 14 14 THR CB C 13 67.59 0.25 . 1 . . . 1 A 132 THR CB . 34513 1 100 . 1 . 1 14 14 THR CG2 C 13 22.38 0.25 . 1 . . . 1 A 132 THR CG2 . 34513 1 101 . 1 . 1 14 14 THR N N 15 115.78 0.15 . 1 . . . 1 A 132 THR N . 34513 1 102 . 1 . 1 15 15 ALA H H 1 7.91 0.02 . 1 . . . 1 A 133 ALA H . 34513 1 103 . 1 . 1 15 15 ALA HA H 1 4.21 0.02 . 1 . . . 1 A 133 ALA HA . 34513 1 104 . 1 . 1 15 15 ALA HB1 H 1 1.49 0.02 . 1 . . . 1 A 133 ALA HB1 . 34513 1 105 . 1 . 1 15 15 ALA HB2 H 1 1.49 0.02 . 1 . . . 1 A 133 ALA HB2 . 34513 1 106 . 1 . 1 15 15 ALA HB3 H 1 1.49 0.02 . 1 . . . 1 A 133 ALA HB3 . 34513 1 107 . 1 . 1 15 15 ALA C C 13 181.10 0.25 . 1 . . . 1 A 133 ALA C . 34513 1 108 . 1 . 1 15 15 ALA CA C 13 55.09 0.25 . 1 . . . 1 A 133 ALA CA . 34513 1 109 . 1 . 1 15 15 ALA CB C 13 18.07 0.25 . 1 . . . 1 A 133 ALA CB . 34513 1 110 . 1 . 1 15 15 ALA N N 15 122.23 0.15 . 1 . . . 1 A 133 ALA N . 34513 1 111 . 1 . 1 16 16 ARG H H 1 7.56 0.02 . 1 . . . 1 A 134 ARG H . 34513 1 112 . 1 . 1 16 16 ARG HA H 1 4.03 0.02 . 1 . . . 1 A 134 ARG HA . 34513 1 113 . 1 . 1 16 16 ARG HB2 H 1 1.87 0.02 . 2 . . . 1 A 134 ARG HB2 . 34513 1 114 . 1 . 1 16 16 ARG HB3 H 1 2.02 0.02 . 2 . . . 1 A 134 ARG HB3 . 34513 1 115 . 1 . 1 16 16 ARG HG2 H 1 1.72 0.02 . 2 . . . 1 A 134 ARG HG2 . 34513 1 116 . 1 . 1 16 16 ARG HG3 H 1 1.92 0.02 . 2 . . . 1 A 134 ARG HG3 . 34513 1 117 . 1 . 1 16 16 ARG HD2 H 1 3.18 0.02 . 2 . . . 1 A 134 ARG HD2 . 34513 1 118 . 1 . 1 16 16 ARG HD3 H 1 3.16 0.02 . 2 . . . 1 A 134 ARG HD3 . 34513 1 119 . 1 . 1 16 16 ARG C C 13 179.82 0.25 . 1 . . . 1 A 134 ARG C . 34513 1 120 . 1 . 1 16 16 ARG CA C 13 58.48 0.25 . 1 . . . 1 A 134 ARG CA . 34513 1 121 . 1 . 1 16 16 ARG CB C 13 30.44 0.25 . 1 . . . 1 A 134 ARG CB . 34513 1 122 . 1 . 1 16 16 ARG CG C 13 27.97 0.25 . 1 . . . 1 A 134 ARG CG . 34513 1 123 . 1 . 1 16 16 ARG CD C 13 42.01 0.25 . 1 . . . 1 A 134 ARG CD . 34513 1 124 . 1 . 1 16 16 ARG N N 15 116.65 0.15 . 1 . . . 1 A 134 ARG N . 34513 1 125 . 1 . 1 17 17 LEU H H 1 8.31 0.02 . 1 . . . 1 A 135 LEU H . 34513 1 126 . 1 . 1 17 17 LEU HA H 1 4.06 0.02 . 1 . . . 1 A 135 LEU HA . 34513 1 127 . 1 . 1 17 17 LEU HB2 H 1 2.04 0.02 . 2 . . . 1 A 135 LEU HB2 . 34513 1 128 . 1 . 1 17 17 LEU HB3 H 1 1.28 0.02 . 2 . . . 1 A 135 LEU HB3 . 34513 1 129 . 1 . 1 17 17 LEU HG H 1 1.93 0.02 . 1 . . . 1 A 135 LEU HG . 34513 1 130 . 1 . 1 17 17 LEU HD11 H 1 0.80 0.02 . 2 . . . 1 A 135 LEU HD11 . 34513 1 131 . 1 . 1 17 17 LEU HD12 H 1 0.80 0.02 . 2 . . . 1 A 135 LEU HD12 . 34513 1 132 . 1 . 1 17 17 LEU HD13 H 1 0.80 0.02 . 2 . . . 1 A 135 LEU HD13 . 34513 1 133 . 1 . 1 17 17 LEU HD21 H 1 0.69 0.02 . 2 . . . 1 A 135 LEU HD21 . 34513 1 134 . 1 . 1 17 17 LEU HD22 H 1 0.69 0.02 . 2 . . . 1 A 135 LEU HD22 . 34513 1 135 . 1 . 1 17 17 LEU HD23 H 1 0.69 0.02 . 2 . . . 1 A 135 LEU HD23 . 34513 1 136 . 1 . 1 17 17 LEU C C 13 178.41 0.25 . 1 . . . 1 A 135 LEU C . 34513 1 137 . 1 . 1 17 17 LEU CA C 13 57.90 0.25 . 1 . . . 1 A 135 LEU CA . 34513 1 138 . 1 . 1 17 17 LEU CB C 13 40.73 0.25 . 1 . . . 1 A 135 LEU CB . 34513 1 139 . 1 . 1 17 17 LEU CG C 13 25.99 0.25 . 1 . . . 1 A 135 LEU CG . 34513 1 140 . 1 . 1 17 17 LEU CD1 C 13 27.11 0.25 . 2 . . . 1 A 135 LEU CD1 . 34513 1 141 . 1 . 1 17 17 LEU CD2 C 13 22.71 0.25 . 2 . . . 1 A 135 LEU CD2 . 34513 1 142 . 1 . 1 17 17 LEU N N 15 119.99 0.15 . 1 . . . 1 A 135 LEU N . 34513 1 143 . 1 . 1 18 18 ASP H H 1 8.70 0.02 . 1 . . . 1 A 136 ASP H . 34513 1 144 . 1 . 1 18 18 ASP HA H 1 4.30 0.02 . 1 . . . 1 A 136 ASP HA . 34513 1 145 . 1 . 1 18 18 ASP HB2 H 1 2.90 0.02 . 2 . . . 1 A 136 ASP HB2 . 34513 1 146 . 1 . 1 18 18 ASP HB3 H 1 2.72 0.02 . 2 . . . 1 A 136 ASP HB3 . 34513 1 147 . 1 . 1 18 18 ASP C C 13 178.84 0.25 . 1 . . . 1 A 136 ASP C . 34513 1 148 . 1 . 1 18 18 ASP CA C 13 57.74 0.25 . 1 . . . 1 A 136 ASP CA . 34513 1 149 . 1 . 1 18 18 ASP CB C 13 39.43 0.25 . 1 . . . 1 A 136 ASP CB . 34513 1 150 . 1 . 1 18 18 ASP N N 15 120.89 0.15 . 1 . . . 1 A 136 ASP N . 34513 1 151 . 1 . 1 19 19 ARG H H 1 7.66 0.02 . 1 . . . 1 A 137 ARG H . 34513 1 152 . 1 . 1 19 19 ARG HA H 1 4.21 0.02 . 1 . . . 1 A 137 ARG HA . 34513 1 153 . 1 . 1 19 19 ARG HB2 H 1 2.00 0.02 . 2 . . . 1 A 137 ARG HB2 . 34513 1 154 . 1 . 1 19 19 ARG HB3 H 1 2.06 0.02 . 2 . . . 1 A 137 ARG HB3 . 34513 1 155 . 1 . 1 19 19 ARG HG2 H 1 1.84 0.02 . 2 . . . 1 A 137 ARG HG2 . 34513 1 156 . 1 . 1 19 19 ARG HG3 H 1 1.83 0.02 . 2 . . . 1 A 137 ARG HG3 . 34513 1 157 . 1 . 1 19 19 ARG HD2 H 1 3.25 0.02 . 2 . . . 1 A 137 ARG HD2 . 34513 1 158 . 1 . 1 19 19 ARG HD3 H 1 3.31 0.02 . 2 . . . 1 A 137 ARG HD3 . 34513 1 159 . 1 . 1 19 19 ARG C C 13 179.15 0.25 . 1 . . . 1 A 137 ARG C . 34513 1 160 . 1 . 1 19 19 ARG CA C 13 59.14 0.25 . 1 . . . 1 A 137 ARG CA . 34513 1 161 . 1 . 1 19 19 ARG CB C 13 30.45 0.25 . 1 . . . 1 A 137 ARG CB . 34513 1 162 . 1 . 1 19 19 ARG CG C 13 26.99 0.25 . 1 . . . 1 A 137 ARG CG . 34513 1 163 . 1 . 1 19 19 ARG CD C 13 43.69 0.25 . 1 . . . 1 A 137 ARG CD . 34513 1 164 . 1 . 1 19 19 ARG N N 15 120.11 0.15 . 1 . . . 1 A 137 ARG N . 34513 1 165 . 1 . 1 20 20 ILE H H 1 7.87 0.02 . 1 . . . 1 A 138 ILE H . 34513 1 166 . 1 . 1 20 20 ILE HA H 1 3.58 0.02 . 1 . . . 1 A 138 ILE HA . 34513 1 167 . 1 . 1 20 20 ILE HB H 1 2.06 0.02 . 1 . . . 1 A 138 ILE HB . 34513 1 168 . 1 . 1 20 20 ILE HG12 H 1 1.90 0.02 . 2 . . . 1 A 138 ILE HG12 . 34513 1 169 . 1 . 1 20 20 ILE HG13 H 1 1.01 0.02 . 2 . . . 1 A 138 ILE HG13 . 34513 1 170 . 1 . 1 20 20 ILE HG21 H 1 0.89 0.02 . 1 . . . 1 A 138 ILE HG21 . 34513 1 171 . 1 . 1 20 20 ILE HG22 H 1 0.89 0.02 . 1 . . . 1 A 138 ILE HG22 . 34513 1 172 . 1 . 1 20 20 ILE HG23 H 1 0.89 0.02 . 1 . . . 1 A 138 ILE HG23 . 34513 1 173 . 1 . 1 20 20 ILE HD11 H 1 0.89 0.02 . 1 . . . 1 A 138 ILE HD11 . 34513 1 174 . 1 . 1 20 20 ILE HD12 H 1 0.89 0.02 . 1 . . . 1 A 138 ILE HD12 . 34513 1 175 . 1 . 1 20 20 ILE HD13 H 1 0.89 0.02 . 1 . . . 1 A 138 ILE HD13 . 34513 1 176 . 1 . 1 20 20 ILE C C 13 177.21 0.25 . 1 . . . 1 A 138 ILE C . 34513 1 177 . 1 . 1 20 20 ILE CA C 13 65.92 0.25 . 1 . . . 1 A 138 ILE CA . 34513 1 178 . 1 . 1 20 20 ILE CB C 13 38.12 0.25 . 1 . . . 1 A 138 ILE CB . 34513 1 179 . 1 . 1 20 20 ILE CG1 C 13 30.39 0.25 . 1 . . . 1 A 138 ILE CG1 . 34513 1 180 . 1 . 1 20 20 ILE CG2 C 13 16.22 0.25 . 1 . . . 1 A 138 ILE CG2 . 34513 1 181 . 1 . 1 20 20 ILE CD1 C 13 14.62 0.25 . 1 . . . 1 A 138 ILE CD1 . 34513 1 182 . 1 . 1 20 20 ILE N N 15 121.67 0.15 . 1 . . . 1 A 138 ILE N . 34513 1 183 . 1 . 1 21 21 ASP H H 1 8.59 0.02 . 1 . . . 1 A 139 ASP H . 34513 1 184 . 1 . 1 21 21 ASP HA H 1 4.30 0.02 . 1 . . . 1 A 139 ASP HA . 34513 1 185 . 1 . 1 21 21 ASP HB2 H 1 2.77 0.02 . 2 . . . 1 A 139 ASP HB2 . 34513 1 186 . 1 . 1 21 21 ASP HB3 H 1 2.80 0.02 . 2 . . . 1 A 139 ASP HB3 . 34513 1 187 . 1 . 1 21 21 ASP C C 13 179.15 0.25 . 1 . . . 1 A 139 ASP C . 34513 1 188 . 1 . 1 21 21 ASP CA C 13 58.14 0.25 . 1 . . . 1 A 139 ASP CA . 34513 1 189 . 1 . 1 21 21 ASP CB C 13 41.42 0.25 . 1 . . . 1 A 139 ASP CB . 34513 1 190 . 1 . 1 21 21 ASP N N 15 120.50 0.15 . 1 . . . 1 A 139 ASP N . 34513 1 191 . 1 . 1 22 22 GLU H H 1 8.03 0.02 . 1 . . . 1 A 140 GLU H . 34513 1 192 . 1 . 1 22 22 GLU HA H 1 4.12 0.02 . 1 . . . 1 A 140 GLU HA . 34513 1 193 . 1 . 1 22 22 GLU HB2 H 1 2.31 0.02 . 2 . . . 1 A 140 GLU HB2 . 34513 1 194 . 1 . 1 22 22 GLU HB3 H 1 2.17 0.02 . 2 . . . 1 A 140 GLU HB3 . 34513 1 195 . 1 . 1 22 22 GLU HG2 H 1 2.50 0.02 . 2 . . . 1 A 140 GLU HG2 . 34513 1 196 . 1 . 1 22 22 GLU HG3 H 1 2.32 0.02 . 2 . . . 1 A 140 GLU HG3 . 34513 1 197 . 1 . 1 22 22 GLU C C 13 180.13 0.25 . 1 . . . 1 A 140 GLU C . 34513 1 198 . 1 . 1 22 22 GLU CA C 13 59.48 0.25 . 1 . . . 1 A 140 GLU CA . 34513 1 199 . 1 . 1 22 22 GLU CB C 13 29.55 0.25 . 1 . . . 1 A 140 GLU CB . 34513 1 200 . 1 . 1 22 22 GLU CG C 13 36.15 0.25 . 1 . . . 1 A 140 GLU CG . 34513 1 201 . 1 . 1 22 22 GLU N N 15 119.48 0.15 . 1 . . . 1 A 140 GLU N . 34513 1 202 . 1 . 1 23 23 LYS H H 1 8.17 0.02 . 1 . . . 1 A 141 LYS H . 34513 1 203 . 1 . 1 23 23 LYS HA H 1 4.25 0.02 . 1 . . . 1 A 141 LYS HA . 34513 1 204 . 1 . 1 23 23 LYS HB2 H 1 1.68 0.02 . 2 . . . 1 A 141 LYS HB2 . 34513 1 205 . 1 . 1 23 23 LYS HB3 H 1 2.20 0.02 . 2 . . . 1 A 141 LYS HB3 . 34513 1 206 . 1 . 1 23 23 LYS HG2 H 1 1.52 0.02 . 2 . . . 1 A 141 LYS HG2 . 34513 1 207 . 1 . 1 23 23 LYS HG3 H 1 1.84 0.02 . 2 . . . 1 A 141 LYS HG3 . 34513 1 208 . 1 . 1 23 23 LYS HD2 H 1 1.57 0.02 . 2 . . . 1 A 141 LYS HD2 . 34513 1 209 . 1 . 1 23 23 LYS HD3 H 1 1.61 0.02 . 2 . . . 1 A 141 LYS HD3 . 34513 1 210 . 1 . 1 23 23 LYS HE2 H 1 2.93 0.02 . 2 . . . 1 A 141 LYS HE2 . 34513 1 211 . 1 . 1 23 23 LYS HE3 H 1 2.87 0.02 . 2 . . . 1 A 141 LYS HE3 . 34513 1 212 . 1 . 1 23 23 LYS C C 13 179.54 0.25 . 1 . . . 1 A 141 LYS C . 34513 1 213 . 1 . 1 23 23 LYS CA C 13 59.55 0.25 . 1 . . . 1 A 141 LYS CA . 34513 1 214 . 1 . 1 23 23 LYS CB C 13 33.01 0.25 . 1 . . . 1 A 141 LYS CB . 34513 1 215 . 1 . 1 23 23 LYS CG C 13 26.02 0.25 . 1 . . . 1 A 141 LYS CG . 34513 1 216 . 1 . 1 23 23 LYS CD C 13 29.50 0.25 . 1 . . . 1 A 141 LYS CD . 34513 1 217 . 1 . 1 23 23 LYS CE C 13 42.10 0.25 . 1 . . . 1 A 141 LYS CE . 34513 1 218 . 1 . 1 23 23 LYS N N 15 120.83 0.15 . 1 . . . 1 A 141 LYS N . 34513 1 219 . 1 . 1 24 24 LEU H H 1 8.72 0.02 . 1 . . . 1 A 142 LEU H . 34513 1 220 . 1 . 1 24 24 LEU HA H 1 4.08 0.02 . 1 . . . 1 A 142 LEU HA . 34513 1 221 . 1 . 1 24 24 LEU HB2 H 1 1.24 0.02 . 2 . . . 1 A 142 LEU HB2 . 34513 1 222 . 1 . 1 24 24 LEU HB3 H 1 2.28 0.02 . 2 . . . 1 A 142 LEU HB3 . 34513 1 223 . 1 . 1 24 24 LEU HG H 1 2.05 0.02 . 1 . . . 1 A 142 LEU HG . 34513 1 224 . 1 . 1 24 24 LEU HD11 H 1 0.77 0.02 . 2 . . . 1 A 142 LEU HD11 . 34513 1 225 . 1 . 1 24 24 LEU HD12 H 1 0.77 0.02 . 2 . . . 1 A 142 LEU HD12 . 34513 1 226 . 1 . 1 24 24 LEU HD13 H 1 0.77 0.02 . 2 . . . 1 A 142 LEU HD13 . 34513 1 227 . 1 . 1 24 24 LEU HD21 H 1 1.03 0.02 . 2 . . . 1 A 142 LEU HD21 . 34513 1 228 . 1 . 1 24 24 LEU HD22 H 1 1.03 0.02 . 2 . . . 1 A 142 LEU HD22 . 34513 1 229 . 1 . 1 24 24 LEU HD23 H 1 1.03 0.02 . 2 . . . 1 A 142 LEU HD23 . 34513 1 230 . 1 . 1 24 24 LEU C C 13 179.10 0.25 . 1 . . . 1 A 142 LEU C . 34513 1 231 . 1 . 1 24 24 LEU CA C 13 58.36 0.25 . 1 . . . 1 A 142 LEU CA . 34513 1 232 . 1 . 1 24 24 LEU CB C 13 41.55 0.25 . 1 . . . 1 A 142 LEU CB . 34513 1 233 . 1 . 1 24 24 LEU CG C 13 26.44 0.25 . 1 . . . 1 A 142 LEU CG . 34513 1 234 . 1 . 1 24 24 LEU CD1 C 13 24.31 0.25 . 2 . . . 1 A 142 LEU CD1 . 34513 1 235 . 1 . 1 24 24 LEU CD2 C 13 28.87 0.25 . 2 . . . 1 A 142 LEU CD2 . 34513 1 236 . 1 . 1 24 24 LEU N N 15 118.95 0.15 . 1 . . . 1 A 142 LEU N . 34513 1 237 . 1 . 1 25 25 SER H H 1 8.18 0.02 . 1 . . . 1 A 143 SER H . 34513 1 238 . 1 . 1 25 25 SER HA H 1 4.26 0.02 . 1 . . . 1 A 143 SER HA . 34513 1 239 . 1 . 1 25 25 SER HB2 H 1 4.12 0.02 . 2 . . . 1 A 143 SER HB2 . 34513 1 240 . 1 . 1 25 25 SER HB3 H 1 4.02 0.02 . 2 . . . 1 A 143 SER HB3 . 34513 1 241 . 1 . 1 25 25 SER C C 13 177.17 0.25 . 1 . . . 1 A 143 SER C . 34513 1 242 . 1 . 1 25 25 SER CA C 13 62.47 0.25 . 1 . . . 1 A 143 SER CA . 34513 1 243 . 1 . 1 25 25 SER CB C 13 62.35 0.25 . 1 . . . 1 A 143 SER CB . 34513 1 244 . 1 . 1 25 25 SER N N 15 115.44 0.15 . 1 . . . 1 A 143 SER N . 34513 1 245 . 1 . 1 26 26 GLU H H 1 7.95 0.02 . 1 . . . 1 A 144 GLU H . 34513 1 246 . 1 . 1 26 26 GLU HA H 1 4.13 0.02 . 1 . . . 1 A 144 GLU HA . 34513 1 247 . 1 . 1 26 26 GLU HB2 H 1 2.27 0.02 . 2 . . . 1 A 144 GLU HB2 . 34513 1 248 . 1 . 1 26 26 GLU HB3 H 1 2.28 0.02 . 2 . . . 1 A 144 GLU HB3 . 34513 1 249 . 1 . 1 26 26 GLU HG2 H 1 2.21 0.02 . 2 . . . 1 A 144 GLU HG2 . 34513 1 250 . 1 . 1 26 26 GLU HG3 H 1 2.46 0.02 . 2 . . . 1 A 144 GLU HG3 . 34513 1 251 . 1 . 1 26 26 GLU C C 13 179.72 0.25 . 1 . . . 1 A 144 GLU C . 34513 1 252 . 1 . 1 26 26 GLU CA C 13 59.51 0.25 . 1 . . . 1 A 144 GLU CA . 34513 1 253 . 1 . 1 26 26 GLU CB C 13 29.61 0.25 . 1 . . . 1 A 144 GLU CB . 34513 1 254 . 1 . 1 26 26 GLU CG C 13 36.10 0.25 . 1 . . . 1 A 144 GLU CG . 34513 1 255 . 1 . 1 26 26 GLU N N 15 124.81 0.15 . 1 . . . 1 A 144 GLU N . 34513 1 256 . 1 . 1 27 27 ILE H H 1 8.55 0.02 . 1 . . . 1 A 145 ILE H . 34513 1 257 . 1 . 1 27 27 ILE HA H 1 3.49 0.02 . 1 . . . 1 A 145 ILE HA . 34513 1 258 . 1 . 1 27 27 ILE HB H 1 2.09 0.02 . 1 . . . 1 A 145 ILE HB . 34513 1 259 . 1 . 1 27 27 ILE HG12 H 1 0.76 0.02 . 1 . . . 1 A 145 ILE HG12 . 34513 1 260 . 1 . 1 27 27 ILE HG21 H 1 0.83 0.02 . 1 . . . 1 A 145 ILE HG21 . 34513 1 261 . 1 . 1 27 27 ILE HG22 H 1 0.83 0.02 . 1 . . . 1 A 145 ILE HG22 . 34513 1 262 . 1 . 1 27 27 ILE HG23 H 1 0.83 0.02 . 1 . . . 1 A 145 ILE HG23 . 34513 1 263 . 1 . 1 27 27 ILE HD11 H 1 0.90 0.02 . 1 . . . 1 A 145 ILE HD11 . 34513 1 264 . 1 . 1 27 27 ILE HD12 H 1 0.90 0.02 . 1 . . . 1 A 145 ILE HD12 . 34513 1 265 . 1 . 1 27 27 ILE HD13 H 1 0.90 0.02 . 1 . . . 1 A 145 ILE HD13 . 34513 1 266 . 1 . 1 27 27 ILE C C 13 177.35 0.25 . 1 . . . 1 A 145 ILE C . 34513 1 267 . 1 . 1 27 27 ILE CA C 13 65.77 0.25 . 1 . . . 1 A 145 ILE CA . 34513 1 268 . 1 . 1 27 27 ILE CB C 13 38.10 0.25 . 1 . . . 1 A 145 ILE CB . 34513 1 269 . 1 . 1 27 27 ILE CG1 C 13 30.97 0.25 . 1 . . . 1 A 145 ILE CG1 . 34513 1 270 . 1 . 1 27 27 ILE CG2 C 13 16.66 0.25 . 1 . . . 1 A 145 ILE CG2 . 34513 1 271 . 1 . 1 27 27 ILE CD1 C 13 15.25 0.25 . 1 . . . 1 A 145 ILE CD1 . 34513 1 272 . 1 . 1 27 27 ILE N N 15 121.43 0.15 . 1 . . . 1 A 145 ILE N . 34513 1 273 . 1 . 1 28 28 LEU H H 1 8.51 0.02 . 1 . . . 1 A 146 LEU H . 34513 1 274 . 1 . 1 28 28 LEU HA H 1 3.90 0.02 . 1 . . . 1 A 146 LEU HA . 34513 1 275 . 1 . 1 28 28 LEU HB2 H 1 1.62 0.02 . 2 . . . 1 A 146 LEU HB2 . 34513 1 276 . 1 . 1 28 28 LEU HB3 H 1 1.93 0.02 . 2 . . . 1 A 146 LEU HB3 . 34513 1 277 . 1 . 1 28 28 LEU HG H 1 1.60 0.02 . 1 . . . 1 A 146 LEU HG . 34513 1 278 . 1 . 1 28 28 LEU HD11 H 1 0.94 0.02 . 2 . . . 1 A 146 LEU HD11 . 34513 1 279 . 1 . 1 28 28 LEU HD12 H 1 0.94 0.02 . 2 . . . 1 A 146 LEU HD12 . 34513 1 280 . 1 . 1 28 28 LEU HD13 H 1 0.94 0.02 . 2 . . . 1 A 146 LEU HD13 . 34513 1 281 . 1 . 1 28 28 LEU HD21 H 1 0.94 0.02 . 2 . . . 1 A 146 LEU HD21 . 34513 1 282 . 1 . 1 28 28 LEU HD22 H 1 0.94 0.02 . 2 . . . 1 A 146 LEU HD22 . 34513 1 283 . 1 . 1 28 28 LEU HD23 H 1 0.94 0.02 . 2 . . . 1 A 146 LEU HD23 . 34513 1 284 . 1 . 1 28 28 LEU C C 13 179.09 0.25 . 1 . . . 1 A 146 LEU C . 34513 1 285 . 1 . 1 28 28 LEU CA C 13 58.87 0.25 . 1 . . . 1 A 146 LEU CA . 34513 1 286 . 1 . 1 28 28 LEU CB C 13 41.98 0.25 . 1 . . . 1 A 146 LEU CB . 34513 1 287 . 1 . 1 28 28 LEU CG C 13 27.91 0.25 . 1 . . . 1 A 146 LEU CG . 34513 1 288 . 1 . 1 28 28 LEU CD1 C 13 24.99 0.25 . 2 . . . 1 A 146 LEU CD1 . 34513 1 289 . 1 . 1 28 28 LEU CD2 C 13 25.04 0.25 . 2 . . . 1 A 146 LEU CD2 . 34513 1 290 . 1 . 1 28 28 LEU N N 15 120.24 0.15 . 1 . . . 1 A 146 LEU N . 34513 1 291 . 1 . 1 29 29 GLY H H 1 8.09 0.02 . 1 . . . 1 A 147 GLY H . 34513 1 292 . 1 . 1 29 29 GLY HA2 H 1 3.94 0.02 . 2 . . . 1 A 147 GLY HA2 . 34513 1 293 . 1 . 1 29 29 GLY HA3 H 1 4.03 0.02 . 2 . . . 1 A 147 GLY HA3 . 34513 1 294 . 1 . 1 29 29 GLY C C 13 176.93 0.25 . 1 . . . 1 A 147 GLY C . 34513 1 295 . 1 . 1 29 29 GLY CA C 13 47.28 0.25 . 1 . . . 1 A 147 GLY CA . 34513 1 296 . 1 . 1 29 29 GLY N N 15 105.68 0.15 . 1 . . . 1 A 147 GLY N . 34513 1 297 . 1 . 1 30 30 MET H H 1 7.84 0.02 . 1 . . . 1 A 148 MET H . 34513 1 298 . 1 . 1 30 30 MET HA H 1 4.26 0.02 . 1 . . . 1 A 148 MET HA . 34513 1 299 . 1 . 1 30 30 MET HB2 H 1 2.28 0.02 . 2 . . . 1 A 148 MET HB2 . 34513 1 300 . 1 . 1 30 30 MET HB3 H 1 1.86 0.02 . 2 . . . 1 A 148 MET HB3 . 34513 1 301 . 1 . 1 30 30 MET HG2 H 1 2.56 0.02 . 2 . . . 1 A 148 MET HG2 . 34513 1 302 . 1 . 1 30 30 MET HG3 H 1 2.80 0.02 . 2 . . . 1 A 148 MET HG3 . 34513 1 303 . 1 . 1 30 30 MET HE1 H 1 1.90 0.02 . 1 . . . 1 A 148 MET HE1 . 34513 1 304 . 1 . 1 30 30 MET HE2 H 1 1.90 0.02 . 1 . . . 1 A 148 MET HE2 . 34513 1 305 . 1 . 1 30 30 MET HE3 H 1 1.90 0.02 . 1 . . . 1 A 148 MET HE3 . 34513 1 306 . 1 . 1 30 30 MET C C 13 178.71 0.25 . 1 . . . 1 A 148 MET C . 34513 1 307 . 1 . 1 30 30 MET CA C 13 59.23 0.25 . 1 . . . 1 A 148 MET CA . 34513 1 308 . 1 . 1 30 30 MET CB C 13 34.17 0.25 . 1 . . . 1 A 148 MET CB . 34513 1 309 . 1 . 1 30 30 MET CG C 13 33.10 0.25 . 1 . . . 1 A 148 MET CG . 34513 1 310 . 1 . 1 30 30 MET CE C 13 17.57 0.25 . 1 . . . 1 A 148 MET CE . 34513 1 311 . 1 . 1 30 30 MET N N 15 120.97 0.15 . 1 . . . 1 A 148 MET N . 34513 1 312 . 1 . 1 31 31 LEU H H 1 8.58 0.02 . 1 . . . 1 A 149 LEU H . 34513 1 313 . 1 . 1 31 31 LEU HA H 1 4.03 0.02 . 1 . . . 1 A 149 LEU HA . 34513 1 314 . 1 . 1 31 31 LEU HB2 H 1 1.56 0.02 . 2 . . . 1 A 149 LEU HB2 . 34513 1 315 . 1 . 1 31 31 LEU HB3 H 1 1.96 0.02 . 2 . . . 1 A 149 LEU HB3 . 34513 1 316 . 1 . 1 31 31 LEU HG H 1 1.81 0.02 . 1 . . . 1 A 149 LEU HG . 34513 1 317 . 1 . 1 31 31 LEU HD11 H 1 0.83 0.02 . 2 . . . 1 A 149 LEU HD11 . 34513 1 318 . 1 . 1 31 31 LEU HD12 H 1 0.83 0.02 . 2 . . . 1 A 149 LEU HD12 . 34513 1 319 . 1 . 1 31 31 LEU HD13 H 1 0.83 0.02 . 2 . . . 1 A 149 LEU HD13 . 34513 1 320 . 1 . 1 31 31 LEU HD21 H 1 0.95 0.02 . 2 . . . 1 A 149 LEU HD21 . 34513 1 321 . 1 . 1 31 31 LEU HD22 H 1 0.95 0.02 . 2 . . . 1 A 149 LEU HD22 . 34513 1 322 . 1 . 1 31 31 LEU HD23 H 1 0.95 0.02 . 2 . . . 1 A 149 LEU HD23 . 34513 1 323 . 1 . 1 31 31 LEU C C 13 178.51 0.25 . 1 . . . 1 A 149 LEU C . 34513 1 324 . 1 . 1 31 31 LEU CA C 13 58.05 0.25 . 1 . . . 1 A 149 LEU CA . 34513 1 325 . 1 . 1 31 31 LEU CB C 13 41.98 0.25 . 1 . . . 1 A 149 LEU CB . 34513 1 326 . 1 . 1 31 31 LEU CG C 13 27.23 0.25 . 1 . . . 1 A 149 LEU CG . 34513 1 327 . 1 . 1 31 31 LEU CD1 C 13 25.61 0.25 . 2 . . . 1 A 149 LEU CD1 . 34513 1 328 . 1 . 1 31 31 LEU CD2 C 13 27.80 0.25 . 2 . . . 1 A 149 LEU CD2 . 34513 1 329 . 1 . 1 31 31 LEU N N 15 119.56 0.15 . 1 . . . 1 A 149 LEU N . 34513 1 330 . 1 . 1 32 32 HIS H H 1 8.54 0.02 . 1 . . . 1 A 150 HIS H . 34513 1 331 . 1 . 1 32 32 HIS HA H 1 4.23 0.02 . 1 . . . 1 A 150 HIS HA . 34513 1 332 . 1 . 1 32 32 HIS HB2 H 1 3.30 0.02 . 2 . . . 1 A 150 HIS HB2 . 34513 1 333 . 1 . 1 32 32 HIS HB3 H 1 3.31 0.02 . 2 . . . 1 A 150 HIS HB3 . 34513 1 334 . 1 . 1 32 32 HIS HD2 H 1 7.12 0.02 . 1 . . . 1 A 150 HIS HD2 . 34513 1 335 . 1 . 1 32 32 HIS C C 13 177.21 0.25 . 1 . . . 1 A 150 HIS C . 34513 1 336 . 1 . 1 32 32 HIS CA C 13 60.51 0.25 . 1 . . . 1 A 150 HIS CA . 34513 1 337 . 1 . 1 32 32 HIS CB C 13 29.31 0.25 . 1 . . . 1 A 150 HIS CB . 34513 1 338 . 1 . 1 32 32 HIS CD2 C 13 119.77 0.25 . 1 . . . 1 A 150 HIS CD2 . 34513 1 339 . 1 . 1 32 32 HIS N N 15 118.27 0.15 . 1 . . . 1 A 150 HIS N . 34513 1 340 . 1 . 1 33 33 THR H H 1 7.66 0.02 . 1 . . . 1 A 151 THR H . 34513 1 341 . 1 . 1 33 33 THR HA H 1 3.91 0.02 . 1 . . . 1 A 151 THR HA . 34513 1 342 . 1 . 1 33 33 THR HB H 1 4.47 0.02 . 1 . . . 1 A 151 THR HB . 34513 1 343 . 1 . 1 33 33 THR HG21 H 1 1.28 0.02 . 1 . . . 1 A 151 THR HG21 . 34513 1 344 . 1 . 1 33 33 THR HG22 H 1 1.28 0.02 . 1 . . . 1 A 151 THR HG22 . 34513 1 345 . 1 . 1 33 33 THR HG23 H 1 1.28 0.02 . 1 . . . 1 A 151 THR HG23 . 34513 1 346 . 1 . 1 33 33 THR C C 13 176.34 0.25 . 1 . . . 1 A 151 THR C . 34513 1 347 . 1 . 1 33 33 THR CA C 13 66.31 0.25 . 1 . . . 1 A 151 THR CA . 34513 1 348 . 1 . 1 33 33 THR CB C 13 68.67 0.25 . 1 . . . 1 A 151 THR CB . 34513 1 349 . 1 . 1 33 33 THR CG2 C 13 21.89 0.25 . 1 . . . 1 A 151 THR CG2 . 34513 1 350 . 1 . 1 33 33 THR N N 15 114.48 0.15 . 1 . . . 1 A 151 THR N . 34513 1 351 . 1 . 1 34 34 LEU H H 1 7.78 0.02 . 1 . . . 1 A 152 LEU H . 34513 1 352 . 1 . 1 34 34 LEU HA H 1 4.11 0.02 . 1 . . . 1 A 152 LEU HA . 34513 1 353 . 1 . 1 34 34 LEU HB2 H 1 1.58 0.02 . 2 . . . 1 A 152 LEU HB2 . 34513 1 354 . 1 . 1 34 34 LEU HB3 H 1 1.94 0.02 . 2 . . . 1 A 152 LEU HB3 . 34513 1 355 . 1 . 1 34 34 LEU HG H 1 1.77 0.02 . 1 . . . 1 A 152 LEU HG . 34513 1 356 . 1 . 1 34 34 LEU HD11 H 1 0.78 0.02 . 2 . . . 1 A 152 LEU HD11 . 34513 1 357 . 1 . 1 34 34 LEU HD12 H 1 0.78 0.02 . 2 . . . 1 A 152 LEU HD12 . 34513 1 358 . 1 . 1 34 34 LEU HD13 H 1 0.78 0.02 . 2 . . . 1 A 152 LEU HD13 . 34513 1 359 . 1 . 1 34 34 LEU HD21 H 1 0.80 0.02 . 2 . . . 1 A 152 LEU HD21 . 34513 1 360 . 1 . 1 34 34 LEU HD22 H 1 0.80 0.02 . 2 . . . 1 A 152 LEU HD22 . 34513 1 361 . 1 . 1 34 34 LEU HD23 H 1 0.80 0.02 . 2 . . . 1 A 152 LEU HD23 . 34513 1 362 . 1 . 1 34 34 LEU C C 13 179.20 0.25 . 1 . . . 1 A 152 LEU C . 34513 1 363 . 1 . 1 34 34 LEU CA C 13 57.40 0.25 . 1 . . . 1 A 152 LEU CA . 34513 1 364 . 1 . 1 34 34 LEU CB C 13 42.08 0.25 . 1 . . . 1 A 152 LEU CB . 34513 1 365 . 1 . 1 34 34 LEU CG C 13 26.57 0.25 . 1 . . . 1 A 152 LEU CG . 34513 1 366 . 1 . 1 34 34 LEU CD1 C 13 23.06 0.25 . 2 . . . 1 A 152 LEU CD1 . 34513 1 367 . 1 . 1 34 34 LEU CD2 C 13 25.58 0.25 . 2 . . . 1 A 152 LEU CD2 . 34513 1 368 . 1 . 1 34 34 LEU N N 15 121.33 0.15 . 1 . . . 1 A 152 LEU N . 34513 1 369 . 1 . 1 35 35 VAL H H 1 8.60 0.02 . 1 . . . 1 A 153 VAL H . 34513 1 370 . 1 . 1 35 35 VAL HA H 1 3.68 0.02 . 1 . . . 1 A 153 VAL HA . 34513 1 371 . 1 . 1 35 35 VAL HB H 1 2.22 0.02 . 1 . . . 1 A 153 VAL HB . 34513 1 372 . 1 . 1 35 35 VAL HG11 H 1 1.03 0.02 . 2 . . . 1 A 153 VAL HG11 . 34513 1 373 . 1 . 1 35 35 VAL HG12 H 1 1.03 0.02 . 2 . . . 1 A 153 VAL HG12 . 34513 1 374 . 1 . 1 35 35 VAL HG13 H 1 1.03 0.02 . 2 . . . 1 A 153 VAL HG13 . 34513 1 375 . 1 . 1 35 35 VAL HG21 H 1 0.94 0.02 . 2 . . . 1 A 153 VAL HG21 . 34513 1 376 . 1 . 1 35 35 VAL HG22 H 1 0.94 0.02 . 2 . . . 1 A 153 VAL HG22 . 34513 1 377 . 1 . 1 35 35 VAL HG23 H 1 0.94 0.02 . 2 . . . 1 A 153 VAL HG23 . 34513 1 378 . 1 . 1 35 35 VAL C C 13 178.71 0.25 . 1 . . . 1 A 153 VAL C . 34513 1 379 . 1 . 1 35 35 VAL CA C 13 66.11 0.25 . 1 . . . 1 A 153 VAL CA . 34513 1 380 . 1 . 1 35 35 VAL CB C 13 31.72 0.25 . 1 . . . 1 A 153 VAL CB . 34513 1 381 . 1 . 1 35 35 VAL CG1 C 13 22.75 0.25 . 2 . . . 1 A 153 VAL CG1 . 34513 1 382 . 1 . 1 35 35 VAL CG2 C 13 21.20 0.25 . 2 . . . 1 A 153 VAL CG2 . 34513 1 383 . 1 . 1 35 35 VAL N N 15 120.62 0.15 . 1 . . . 1 A 153 VAL N . 34513 1 384 . 1 . 1 36 36 VAL H H 1 8.04 0.02 . 1 . . . 1 A 154 VAL H . 34513 1 385 . 1 . 1 36 36 VAL HA H 1 3.80 0.02 . 1 . . . 1 A 154 VAL HA . 34513 1 386 . 1 . 1 36 36 VAL HB H 1 2.07 0.02 . 1 . . . 1 A 154 VAL HB . 34513 1 387 . 1 . 1 36 36 VAL HG11 H 1 0.90 0.02 . 2 . . . 1 A 154 VAL HG11 . 34513 1 388 . 1 . 1 36 36 VAL HG12 H 1 0.90 0.02 . 2 . . . 1 A 154 VAL HG12 . 34513 1 389 . 1 . 1 36 36 VAL HG13 H 1 0.90 0.02 . 2 . . . 1 A 154 VAL HG13 . 34513 1 390 . 1 . 1 36 36 VAL HG21 H 1 0.91 0.02 . 2 . . . 1 A 154 VAL HG21 . 34513 1 391 . 1 . 1 36 36 VAL HG22 H 1 0.91 0.02 . 2 . . . 1 A 154 VAL HG22 . 34513 1 392 . 1 . 1 36 36 VAL HG23 H 1 0.91 0.02 . 2 . . . 1 A 154 VAL HG23 . 34513 1 393 . 1 . 1 36 36 VAL C C 13 178.05 0.25 . 1 . . . 1 A 154 VAL C . 34513 1 394 . 1 . 1 36 36 VAL CA C 13 65.28 0.25 . 1 . . . 1 A 154 VAL CA . 34513 1 395 . 1 . 1 36 36 VAL CB C 13 31.62 0.25 . 1 . . . 1 A 154 VAL CB . 34513 1 396 . 1 . 1 36 36 VAL CG1 C 13 21.84 0.25 . 2 . . . 1 A 154 VAL CG1 . 34513 1 397 . 1 . 1 36 36 VAL CG2 C 13 21.06 0.25 . 2 . . . 1 A 154 VAL CG2 . 34513 1 398 . 1 . 1 36 36 VAL N N 15 120.50 0.15 . 1 . . . 1 A 154 VAL N . 34513 1 399 . 1 . 1 37 37 ALA H H 1 7.82 0.02 . 1 . . . 1 A 155 ALA H . 34513 1 400 . 1 . 1 37 37 ALA HA H 1 4.25 0.02 . 1 . . . 1 A 155 ALA HA . 34513 1 401 . 1 . 1 37 37 ALA HB1 H 1 1.49 0.02 . 1 . . . 1 A 155 ALA HB1 . 34513 1 402 . 1 . 1 37 37 ALA HB2 H 1 1.49 0.02 . 1 . . . 1 A 155 ALA HB2 . 34513 1 403 . 1 . 1 37 37 ALA HB3 H 1 1.49 0.02 . 1 . . . 1 A 155 ALA HB3 . 34513 1 404 . 1 . 1 37 37 ALA C C 13 178.83 0.25 . 1 . . . 1 A 155 ALA C . 34513 1 405 . 1 . 1 37 37 ALA CA C 13 53.77 0.25 . 1 . . . 1 A 155 ALA CA . 34513 1 406 . 1 . 1 37 37 ALA CB C 13 18.46 0.25 . 1 . . . 1 A 155 ALA CB . 34513 1 407 . 1 . 1 37 37 ALA N N 15 122.17 0.15 . 1 . . . 1 A 155 ALA N . 34513 1 408 . 1 . 1 38 38 SER H H 1 7.82 0.02 . 1 . . . 1 A 156 SER H . 34513 1 409 . 1 . 1 38 38 SER HA H 1 4.38 0.02 . 1 . . . 1 A 156 SER HA . 34513 1 410 . 1 . 1 38 38 SER HB2 H 1 3.90 0.02 . 2 . . . 1 A 156 SER HB2 . 34513 1 411 . 1 . 1 38 38 SER HB3 H 1 3.90 0.02 . 2 . . . 1 A 156 SER HB3 . 34513 1 412 . 1 . 1 38 38 SER C C 13 174.34 0.25 . 1 . . . 1 A 156 SER C . 34513 1 413 . 1 . 1 38 38 SER CA C 13 59.34 0.25 . 1 . . . 1 A 156 SER CA . 34513 1 414 . 1 . 1 38 38 SER CB C 13 63.83 0.25 . 1 . . . 1 A 156 SER CB . 34513 1 415 . 1 . 1 38 38 SER N N 15 112.78 0.15 . 1 . . . 1 A 156 SER N . 34513 1 416 . 1 . 1 39 39 ALA H H 1 7.84 0.02 . 1 . . . 1 A 157 ALA H . 34513 1 417 . 1 . 1 39 39 ALA HA H 1 4.41 0.02 . 1 . . . 1 A 157 ALA HA . 34513 1 418 . 1 . 1 39 39 ALA HB1 H 1 1.46 0.02 . 1 . . . 1 A 157 ALA HB1 . 34513 1 419 . 1 . 1 39 39 ALA HB2 H 1 1.46 0.02 . 1 . . . 1 A 157 ALA HB2 . 34513 1 420 . 1 . 1 39 39 ALA HB3 H 1 1.46 0.02 . 1 . . . 1 A 157 ALA HB3 . 34513 1 421 . 1 . 1 39 39 ALA C C 13 177.88 0.25 . 1 . . . 1 A 157 ALA C . 34513 1 422 . 1 . 1 39 39 ALA CA C 13 52.57 0.25 . 1 . . . 1 A 157 ALA CA . 34513 1 423 . 1 . 1 39 39 ALA CB C 13 19.34 0.25 . 1 . . . 1 A 157 ALA CB . 34513 1 424 . 1 . 1 39 39 ALA N N 15 124.46 0.15 . 1 . . . 1 A 157 ALA N . 34513 1 425 . 1 . 1 40 40 GLY H H 1 8.01 0.02 . 1 . . . 1 A 158 GLY H . 34513 1 426 . 1 . 1 40 40 GLY HA2 H 1 4.12 0.02 . 2 . . . 1 A 158 GLY HA2 . 34513 1 427 . 1 . 1 40 40 GLY HA3 H 1 4.16 0.02 . 2 . . . 1 A 158 GLY HA3 . 34513 1 428 . 1 . 1 40 40 GLY CA C 13 44.67 0.25 . 1 . . . 1 A 158 GLY CA . 34513 1 429 . 1 . 1 40 40 GLY N N 15 107.38 0.15 . 1 . . . 1 A 158 GLY N . 34513 1 430 . 1 . 1 41 41 PRO HA H 1 4.54 0.02 . 1 . . . 1 A 159 PRO HA . 34513 1 431 . 1 . 1 41 41 PRO HB2 H 1 2.00 0.02 . 2 . . . 1 A 159 PRO HB2 . 34513 1 432 . 1 . 1 41 41 PRO HB3 H 1 2.32 0.02 . 2 . . . 1 A 159 PRO HB3 . 34513 1 433 . 1 . 1 41 41 PRO HG2 H 1 2.05 0.02 . 2 . . . 1 A 159 PRO HG2 . 34513 1 434 . 1 . 1 41 41 PRO HG3 H 1 2.05 0.02 . 2 . . . 1 A 159 PRO HG3 . 34513 1 435 . 1 . 1 41 41 PRO HD2 H 1 3.68 0.02 . 2 . . . 1 A 159 PRO HD2 . 34513 1 436 . 1 . 1 41 41 PRO HD3 H 1 3.67 0.02 . 2 . . . 1 A 159 PRO HD3 . 34513 1 437 . 1 . 1 41 41 PRO C C 13 177.66 0.25 . 1 . . . 1 A 159 PRO C . 34513 1 438 . 1 . 1 41 41 PRO CA C 13 63.30 0.25 . 1 . . . 1 A 159 PRO CA . 34513 1 439 . 1 . 1 41 41 PRO CB C 13 32.07 0.25 . 1 . . . 1 A 159 PRO CB . 34513 1 440 . 1 . 1 41 41 PRO CG C 13 27.14 0.25 . 1 . . . 1 A 159 PRO CG . 34513 1 441 . 1 . 1 41 41 PRO CD C 13 49.74 0.25 . 1 . . . 1 A 159 PRO CD . 34513 1 442 . 1 . 1 42 42 THR H H 1 8.33 0.02 . 1 . . . 1 A 160 THR H . 34513 1 443 . 1 . 1 42 42 THR HA H 1 4.39 0.02 . 1 . . . 1 A 160 THR HA . 34513 1 444 . 1 . 1 42 42 THR HB H 1 4.29 0.02 . 1 . . . 1 A 160 THR HB . 34513 1 445 . 1 . 1 42 42 THR HG21 H 1 1.24 0.02 . 1 . . . 1 A 160 THR HG21 . 34513 1 446 . 1 . 1 42 42 THR HG22 H 1 1.24 0.02 . 1 . . . 1 A 160 THR HG22 . 34513 1 447 . 1 . 1 42 42 THR HG23 H 1 1.24 0.02 . 1 . . . 1 A 160 THR HG23 . 34513 1 448 . 1 . 1 42 42 THR C C 13 174.67 0.25 . 1 . . . 1 A 160 THR C . 34513 1 449 . 1 . 1 42 42 THR CA C 13 61.86 0.25 . 1 . . . 1 A 160 THR CA . 34513 1 450 . 1 . 1 42 42 THR CB C 13 69.52 0.25 . 1 . . . 1 A 160 THR CB . 34513 1 451 . 1 . 1 42 42 THR CG2 C 13 21.41 0.25 . 1 . . . 1 A 160 THR CG2 . 34513 1 452 . 1 . 1 42 42 THR N N 15 113.84 0.15 . 1 . . . 1 A 160 THR N . 34513 1 453 . 1 . 1 43 43 SER H H 1 8.22 0.02 . 1 . . . 1 A 161 SER H . 34513 1 454 . 1 . 1 43 43 SER HA H 1 4.46 0.02 . 1 . . . 1 A 161 SER HA . 34513 1 455 . 1 . 1 43 43 SER HB2 H 1 3.89 0.02 . 1 . . . 1 A 161 SER HB2 . 34513 1 456 . 1 . 1 43 43 SER HB3 H 1 3.89 0.02 . 1 . . . 1 A 161 SER HB3 . 34513 1 457 . 1 . 1 43 43 SER C C 13 173.94 0.25 . 1 . . . 1 A 161 SER C . 34513 1 458 . 1 . 1 43 43 SER CA C 13 58.19 0.25 . 1 . . . 1 A 161 SER CA . 34513 1 459 . 1 . 1 43 43 SER CB C 13 63.83 0.25 . 1 . . . 1 A 161 SER CB . 34513 1 460 . 1 . 1 43 43 SER N N 15 117.77 0.15 . 1 . . . 1 A 161 SER N . 34513 1 461 . 1 . 1 44 44 ALA H H 1 8.30 0.02 . 1 . . . 1 A 162 ALA H . 34513 1 462 . 1 . 1 44 44 ALA HA H 1 4.37 0.02 . 1 . . . 1 A 162 ALA HA . 34513 1 463 . 1 . 1 44 44 ALA HB1 H 1 1.40 0.02 . 1 . . . 1 A 162 ALA HB1 . 34513 1 464 . 1 . 1 44 44 ALA HB2 H 1 1.40 0.02 . 1 . . . 1 A 162 ALA HB2 . 34513 1 465 . 1 . 1 44 44 ALA HB3 H 1 1.40 0.02 . 1 . . . 1 A 162 ALA HB3 . 34513 1 466 . 1 . 1 44 44 ALA C C 13 176.57 0.25 . 1 . . . 1 A 162 ALA C . 34513 1 467 . 1 . 1 44 44 ALA CA C 13 52.47 0.25 . 1 . . . 1 A 162 ALA CA . 34513 1 468 . 1 . 1 44 44 ALA CB C 13 19.16 0.25 . 1 . . . 1 A 162 ALA CB . 34513 1 469 . 1 . 1 44 44 ALA N N 15 126.46 0.15 . 1 . . . 1 A 162 ALA N . 34513 1 470 . 1 . 1 45 45 ARG H H 1 7.91 0.02 . 1 . . . 1 A 163 ARG H . 34513 1 471 . 1 . 1 45 45 ARG HA H 1 4.17 0.02 . 1 . . . 1 A 163 ARG HA . 34513 1 472 . 1 . 1 45 45 ARG HB2 H 1 1.86 0.02 . 2 . . . 1 A 163 ARG HB2 . 34513 1 473 . 1 . 1 45 45 ARG HB3 H 1 1.72 0.02 . 2 . . . 1 A 163 ARG HB3 . 34513 1 474 . 1 . 1 45 45 ARG HG2 H 1 1.61 0.02 . 2 . . . 1 A 163 ARG HG2 . 34513 1 475 . 1 . 1 45 45 ARG HG3 H 1 1.60 0.02 . 2 . . . 1 A 163 ARG HG3 . 34513 1 476 . 1 . 1 45 45 ARG HD2 H 1 3.20 0.02 . 1 . . . 1 A 163 ARG HD2 . 34513 1 477 . 1 . 1 45 45 ARG HD3 H 1 3.20 0.02 . 1 . . . 1 A 163 ARG HD3 . 34513 1 478 . 1 . 1 45 45 ARG CA C 13 57.26 0.25 . 1 . . . 1 A 163 ARG CA . 34513 1 479 . 1 . 1 45 45 ARG CB C 13 31.45 0.25 . 1 . . . 1 A 163 ARG CB . 34513 1 480 . 1 . 1 45 45 ARG CG C 13 26.99 0.25 . 1 . . . 1 A 163 ARG CG . 34513 1 481 . 1 . 1 45 45 ARG CD C 13 43.37 0.25 . 1 . . . 1 A 163 ARG CD . 34513 1 482 . 1 . 1 45 45 ARG N N 15 125.49 0.15 . 1 . . . 1 A 163 ARG N . 34513 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 34513 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 17 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY-HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf HC C H None {4261.36 } {15290.52 } {8547.01 } {949.7959 } {238.8346 } {949.7959 } HC.L HC.P HC.W HC.B C.L C.P C.W C.B H.L H.P H.W H.B vol int stat flag0 14 {162.HB#} 1.310 0.050 0.050 {162.CB} 19.270 0.050 0.050 {160.HB} 4.196 0.050 0.050 806566.31250 61984.25000 1 0 16 {161.HB1} 3.799 0.050 0.050 {161.CB} 63.707 0.050 0.050 {161.HA} 4.396 0.050 0.050 888132.75000 80767.15625 1 0 17 {161.HB1} 3.799 0.050 0.050 {161.CB} 64.005 0.050 0.050 {162.HA} 4.280 0.050 0.050 641223.21875 54078.18750 1 0 18 {161.HB1} 3.795 0.050 0.050 {161.CB} 63.723 0.050 0.050 {160.HG2#} 1.178 0.050 0.050 783514.21875 52011.25000 1 0 20 {160.HG2#} 1.148 0.050 0.050 {160.CG2} 21.566 0.050 0.050 {159.HB2} 1.920 0.050 0.050 888548.12500 65820.81250 1 0 23 {160.HG2#} 1.152 0.050 0.050 {160.CG2} 21.423 0.050 0.050 {160.HA} 4.299 0.050 0.050 2311389.46875 83688.84375 1 0 24 {160.HG2#} 1.150 0.050 0.050 {160.CG2} 21.423 0.050 0.050 {160.HB} 4.195 0.050 0.050 2012294.90625 131582.03125 1 0 28 {127.HG2#} 1.151 0.050 0.050 {127.CG2} 21.714 0.050 0.050 {128.HA} 4.628 0.050 0.050 592179.28125 49805.34375 1 0 29 {127.HG2#} 1.148 0.050 0.050 {127.CG2} 21.777 0.050 0.050 {129.HA} 4.482 0.050 0.050 467550.37500 48980.06250 1 0 38 {159.HD2} 3.598 0.050 0.050 {159.CD} 49.682 0.050 0.050 {158.HA2} 4.064 0.050 0.050 753907.62500 72165.65625 1 0 39 {159.HD2} 3.597 0.050 0.050 {159.CD} 49.682 0.050 0.050 {158.HA1} 4.032 0.050 0.050 834002.75000 69376.87500 1 0 40 {159.HD1} 3.575 0.050 0.050 {159.CD} 49.682 0.050 0.050 {158.HA2} 4.062 0.050 0.050 793365.12500 56093.68750 1 0 41 {159.HD1} 3.575 0.050 0.050 {159.CD} 49.682 0.050 0.050 {158.HA1} 4.032 0.050 0.050 985747.12500 58430.93750 1 0 42 {159.HD2} 3.598 0.050 0.050 {159.CD} 49.674 0.050 0.050 {159.HG#} 1.978 0.050 0.050 955202.40625 54821.03125 1 0 54 {156.HB#} 3.810 0.050 0.050 {156.CB} 63.731 0.050 0.050 {152.HD1#} 0.700 0.050 0.050 4697713.90625 339453.90625 1 0 55 {156.HB#} 3.806 0.050 0.050 {156.CB} 63.679 0.050 0.050 {153.HG1#} 0.855 0.050 0.050 506410.40625 54854.90625 1 0 56 {156.HB#} 3.809 0.050 0.050 {156.CB} 63.734 0.050 0.050 {151.HG2#} 1.192 0.050 0.050 813166.56250 67610.15625 1 0 57 {156.HB2} 3.810 0.050 0.050 {156.CB} 63.730 0.050 0.050 {155.HB#} 1.405 0.050 0.050 1918057.84375 147130.75000 1 0 58 {156.HB#} 3.810 0.050 0.050 {156.CB} 63.673 0.050 0.050 {157.HB#} 1.371 0.050 0.050 1256185.50000 105086.93750 1 0 60 {156.HB#} 3.821 0.050 0.050 {156.CB} 63.646 0.050 0.050 {152.HG} 1.704 0.050 0.050 540805.46875 49479.09375 1 0 61 {156.HB#} 3.806 0.050 0.050 {156.CB} 63.736 0.050 0.050 {159.HB2} 1.888 0.050 0.050 555862.18750 52681.59375 1 0 62 {156.HB#} 3.811 0.050 0.050 {156.CB} 63.719 0.050 0.050 {156.HA} 4.294 0.050 0.050 1279703.93750 98592.78125 1 0 63 {156.HB#} 3.813 0.050 0.050 {156.CB} 63.673 0.050 0.050 {157.HA} 4.315 0.050 0.050 1262881.78125 89843.87500 1 0 66 {155.HB#} 1.405 0.050 0.050 {155.CB} 18.447 0.050 0.050 {156.HA} 4.294 0.050 0.050 1542282.93750 84662.40625 1 0 67 {155.HB#} 1.404 0.050 0.050 {155.CB} 18.447 0.050 0.050 {155.HA} 4.159 0.050 0.050 3267149.18750 166017.56250 1 0 68 {155.HB#} 1.405 0.050 0.050 {155.CB} 18.447 0.050 0.050 {152.HA} 4.029 0.050 0.050 2526109.46875 132413.84375 1 0 69 {155.HB#} 1.408 0.050 0.050 {155.CB} 18.421 0.050 0.050 {156.HB#} 3.800 0.050 0.050 2260320.56250 121924.40625 1 0 70 {155.HB#} 1.404 0.050 0.050 {155.CB} 18.447 0.050 0.050 {151.HA} 3.830 0.050 0.050 2239819.09375 102532.18750 1 0 71 {155.HB#} 1.413 0.050 0.050 {155.CB} 18.430 0.050 0.050 {153.HA} 3.600 0.050 0.050 1075315.93750 63907.56250 1 0 73 {155.HB#} 1.410 0.050 0.050 {155.CB} 18.612 0.050 0.050 {153.HG1#} 0.869 0.050 0.050 805428.93750 52248.34375 1 0 74 {155.HB#} 1.406 0.050 0.050 {155.CB} 18.447 0.050 0.050 {152.HD1#} 0.696 0.050 0.050 1354822.84375 72663.93750 1 0 75 {155.HB#} 1.406 0.050 0.050 {155.CB} 18.447 0.050 0.050 {152.HD2#} 0.723 0.050 0.050 1239066.40625 62639.15625 1 0 76 {153.HG1#} 0.823 0.050 0.050 {153.CG1} 21.297 0.050 0.050 {154.HB} 1.989 0.050 0.050 1642770.71875 92842.53125 1 0 78 {154.HG1#} 0.819 0.050 0.050 {154.CG1} 21.043 0.050 0.050 {154.HA} 3.710 0.050 0.050 1356603.75000 61223.62500 1 0 79 {154.HG1#} 0.821 0.050 0.050 {154.CG1} 21.043 0.050 0.050 {156.HB#} 3.803 0.050 0.050 1130977.56250 64327.93750 1 0 84 {154.HG2#} 0.813 0.050 0.050 {154.CG2} 21.681 0.050 0.050 {154.HB} 1.981 0.050 0.050 1669327.68750 92673.15625 1 0 86 {154.HG2#} 0.812 0.050 0.050 {154.CG2} 21.729 0.050 0.050 {154.HA} 3.726 0.050 0.050 1853405.09375 102158.93750 1 0 88 {154.HB} 1.980 0.050 0.050 {154.CB} 31.532 0.050 0.050 {153.HG1#} 0.843 0.050 0.050 1426026.43750 72283.53125 1 0 89 {154.HB} 1.988 0.050 0.050 {154.CB} 31.482 0.050 0.050 {154.HG1#} 0.823 0.050 0.050 1359022.31250 65341.53125 1 0 90 {154.HA} 3.718 0.050 0.050 {154.CA} 65.131 0.050 0.050 {154.HG1#} 0.819 0.050 0.050 1061359.50000 62474.71875 1 0 93 {153.HG2#} 0.948 0.050 0.050 {153.CG2} 22.815 0.050 0.050 {152.HD2#} 0.733 0.050 0.050 10993801.87500 507953.00000 1 0 95 {153.HG2#} 0.946 0.050 0.050 {153.CG2} 22.815 0.050 0.050 {152.HD1#} 0.696 0.050 0.050 10993801.87500 719210.12500 1 0 96 {153.HG2#} 0.949 0.050 0.050 {153.CG2} 22.771 0.050 0.050 {151.HG2#} 1.195 0.050 0.050 3237897.00000 216225.81250 1 0 97 {153.HG2#} 0.946 0.050 0.050 {153.CG2} 22.709 0.050 0.050 {157.HB#} 1.389 0.050 0.050 1189733.18750 86607.25000 1 0 99 {153.HG2#} 0.955 0.050 0.050 {153.CG2} 22.804 0.050 0.050 {152.HB2} 1.520 0.050 0.050 833404.90625 61643.12500 1 0 100 {153.HG2#} 0.947 0.050 0.050 {153.CG2} 22.787 0.050 0.050 {152.HG} 1.686 0.050 0.050 3496315.21875 246815.40625 1 0 101 {153.HG2#} 0.947 0.050 0.050 {153.CG2} 22.791 0.050 0.050 {148.HE#} 1.811 0.050 0.050 7635091.65625 475012.78125 1 0 102 {153.HG2#} 0.947 0.050 0.050 {153.CG2} 22.815 0.050 0.050 {152.HB1} 1.847 0.050 0.050 5692753.21875 326309.34375 1 0 104 {153.HG2#} 0.949 0.050 0.050 {153.CG2} 22.709 0.050 0.050 {154.HB} 1.978 0.050 0.050 502716.68750 50734.34375 1 0 105 {153.HG2#} 0.950 0.050 0.050 {153.CG2} 22.788 0.050 0.050 {148.HB2} 2.180 0.050 0.050 1659377.78125 105914.28125 1 0 107 {153.HG2#} 0.951 0.050 0.050 {153.CG2} 22.884 0.050 0.050 {148.HG1} 2.469 0.050 0.050 1943765.50000 110598.84375 1 0 108 {153.HG2#} 0.948 0.050 0.050 {153.CG2} 22.741 0.050 0.050 {148.HG2} 2.712 0.050 0.050 1334888.53125 88750.09375 1 0 111 {153.HG2#} 0.954 0.050 0.050 {153.CG2} 22.810 0.050 0.050 {153.HA} 3.618 0.050 0.050 869103.93750 53639.65625 1 0 114 {153.HG2#} 0.950 0.050 0.050 {153.CG2} 22.825 0.050 0.050 {152.HA} 4.010 0.050 0.050 1037380.34375 60677.90625 1 0 115 {153.HG2#} 0.949 0.050 0.050 {153.CG2} 22.825 0.050 0.050 {148.HA} 4.191 0.050 0.050 2874601.65625 173331.25000 1 0 116 {153.HG2#} 0.947 0.050 0.050 {153.CG2} 22.762 0.050 0.050 {151.HB} 4.369 0.050 0.050 1862810.81250 125763.56250 1 0 119 {153.HG1#} 0.859 0.050 0.050 {153.CG1} 21.253 0.050 0.050 {151.HB} 4.379 0.050 0.050 1743798.90625 106711.40625 1 0 121 {153.HG1#} 0.859 0.050 0.050 {153.CG1} 21.299 0.050 0.050 {148.HA} 4.183 0.050 0.050 1670283.81250 93606.28125 1 0 125 {153.HG1#} 0.861 0.050 0.050 {153.CG1} 21.244 0.050 0.050 {153.HA} 3.610 0.050 0.050 965423.93750 64093.59375 1 0 126 {153.HG1#} 0.859 0.050 0.050 {153.CG1} 21.271 0.050 0.050 {148.HG2} 2.705 0.050 0.050 818035.09375 48859.65625 1 0 127 {154.HG2#} 0.859 0.050 0.050 {154.CG2} 21.627 0.050 0.050 {148.HG1} 2.480 0.050 0.050 988972.53125 52749.34375 1 0 128 {153.HG1#} 0.859 0.050 0.050 {153.CG1} 21.153 0.050 0.050 {153.HB} 2.134 0.050 0.050 1438321.09375 79604.18750 1 0 129 {153.HG1#} 0.857 0.050 0.050 {153.CG1} 21.235 0.050 0.050 {148.HE#} 1.824 0.050 0.050 3324242.21875 173906.43750 1 0 130 {153.HG1#} 0.857 0.050 0.050 {153.CG1} 21.167 0.050 0.050 {152.HG} 1.685 0.050 0.050 1191893.71875 64159.00000 1 0 132 {153.HG1#} 0.859 0.050 0.050 {153.CG1} 21.343 0.050 0.050 {157.HB#} 1.368 0.050 0.050 904544.06250 59781.59375 1 0 133 {153.HG1#} 0.859 0.050 0.050 {153.CG1} 21.236 0.050 0.050 {151.HG2#} 1.198 0.050 0.050 4934870.03125 281083.21875 1 0 136 {153.HB} 2.144 0.050 0.050 {153.CB} 31.676 0.050 0.050 {148.HE#} 1.811 0.050 0.050 1009825.71875 53331.31250 1 0 137 {153.HA} 3.588 0.050 0.050 {153.CA} 66.012 0.050 0.050 {152.HD#} 0.706 0.050 0.050 3161178.65625 175554.18750 1 0 138 {152.HG} 1.695 0.050 0.050 {152.CG} 26.713 0.050 0.050 {152.HD2#} 0.725 0.050 0.050 2145410.75000 109112.65625 1 0 139 {152.HG} 1.693 0.050 0.050 {152.CG} 26.565 0.050 0.050 {152.HD1#} 0.696 0.050 0.050 1877918.71875 99526.34375 1 0 141 {152.HG} 1.694 0.050 0.050 {152.CG} 26.565 0.050 0.050 {153.HG2#} 0.948 0.050 0.050 1263816.09375 60312.75000 1 0 144 {152.HD2#} 0.723 0.050 0.050 {152.CD2} 25.662 0.050 0.050 {155.HB#} 1.405 0.050 0.050 942697.59375 55523.09375 1 0 145 {152.HD2#} 0.723 0.050 0.050 {152.CD2} 25.647 0.050 0.050 {152.HB2} 1.505 0.050 0.050 2644253.78125 169163.28125 1 0 146 {152.HD2#} 0.725 0.050 0.050 {152.CD2} 25.677 0.050 0.050 {152.HG} 1.698 0.050 0.050 3333112.25000 243891.40625 1 0 147 {152.HD2#} 0.725 0.050 0.050 {152.CD2} 25.617 0.050 0.050 {152.HB1} 1.836 0.050 0.050 3040018.18750 206337.87500 1 0 148 {152.HD2#} 0.718 0.050 0.050 {152.CD2} 25.655 0.050 0.050 {148.HB2} 2.164 0.050 0.050 943544.90625 74258.68750 1 0 149 {152.HD2#} 0.723 0.050 0.050 {152.CD2} 25.617 0.050 0.050 {153.HA} 3.597 0.050 0.050 2022833.81250 134844.15625 1 0 152 {152.HD2#} 0.721 0.050 0.050 {152.CD2} 25.662 0.050 0.050 {156.HB#} 3.808 0.050 0.050 1031214.34375 66915.28125 1 0 153 {152.HD2#} 0.724 0.050 0.050 {152.CD2} 25.641 0.050 0.050 {149.HA} 3.927 0.050 0.050 2012173.21875 131862.00000 1 0 154 {152.HD2#} 0.718 0.050 0.050 {152.CD2} 25.662 0.050 0.050 {152.HA} 4.031 0.050 0.050 1770795.18750 116437.15625 1 0 155 {152.HD2#} 0.721 0.050 0.050 {152.CD2} 25.592 0.050 0.050 {155.HA} 4.164 0.050 0.050 589150.46875 55913.18750 1 0 157 {152.HD1#} 0.697 0.050 0.050 {152.CD1} 23.210 0.050 0.050 {153.HG2#} 0.935 0.050 0.050 5994731.40625 370753.59375 1 0 160 {152.HD1#} 0.698 0.050 0.050 {152.CD1} 23.205 0.050 0.050 {152.HB2} 1.516 0.050 0.050 2204031.96875 147717.71875 1 0 161 {152.HD1#} 0.701 0.050 0.050 {152.CD1} 23.162 0.050 0.050 {155.HB#} 1.409 0.050 0.050 1137218.03125 73627.78125 1 0 162 {152.HD1#} 0.695 0.050 0.050 {152.CD1} 23.188 0.050 0.050 {152.HG} 1.698 0.050 0.050 2354362.43750 157802.34375 1 0 163 {152.HD1#} 0.696 0.050 0.050 {152.CD1} 23.195 0.050 0.050 {152.HB1} 1.843 0.050 0.050 2454324.09375 161515.03125 1 0 164 {152.HD1#} 0.702 0.050 0.050 {152.CD1} 23.304 0.050 0.050 {153.HB} 2.148 0.050 0.050 877627.71875 56066.87500 1 0 167 {152.HD1#} 0.697 0.050 0.050 {152.CD1} 23.168 0.050 0.050 {153.HA} 3.594 0.050 0.050 7572777.62500 515223.37500 1 0 168 {152.HD1#} 0.697 0.050 0.050 {152.CD1} 23.163 0.050 0.050 {156.HB#} 3.816 0.050 0.050 3969115.62500 267891.18750 1 0 169 {152.HD1#} 0.696 0.050 0.050 {152.CD1} 23.217 0.050 0.050 {152.HA} 4.017 0.050 0.050 2486282.00000 156803.06250 1 0 172 {152.HB1} 1.847 0.050 0.050 {152.CB} 42.237 0.050 0.050 {152.HD2#} 0.722 0.050 0.050 2021524.37500 104774.81250 1 0 177 {152.HB2} 1.503 0.050 0.050 {152.CB} 42.251 0.050 0.050 {152.HD2#} 0.723 0.050 0.050 2138119.12500 120139.34375 1 0 178 {152.HB2} 1.503 0.050 0.050 {152.CB} 42.251 0.050 0.050 {152.HD1#} 0.696 0.050 0.050 2078065.25000 116794.68750 1 0 183 {151.HG2#} 1.193 0.050 0.050 {151.CG2} 21.806 0.050 0.050 {152.HD2#} 0.722 0.050 0.050 694237.15625 52003.90625 1 0 185 {151.HG2#} 1.190 0.050 0.050 {151.CG2} 21.865 0.050 0.050 {154.HG2#} 0.806 0.050 0.050 2584415.81250 132850.31250 1 0 187 {151.HG2#} 1.190 0.050 0.050 {151.CG2} 21.865 0.050 0.050 {153.HG1#} 0.858 0.050 0.050 5476350.68750 316305.81250 1 0 188 {151.HG2#} 1.190 0.050 0.050 {151.CG2} 21.865 0.050 0.050 {153.HG2#} 0.946 0.050 0.050 3202963.65625 181964.21875 1 0 189 {151.HG2#} 1.191 0.050 0.050 {151.CG2} 21.781 0.050 0.050 {155.HB#} 1.410 0.050 0.050 1200732.93750 84577.96875 1 0 192 {151.HG2#} 1.188 0.050 0.050 {151.CG2} 21.729 0.050 0.050 {153.HA} 3.618 0.050 0.050 955251.15625 65538.18750 1 0 193 {151.HG2#} 1.190 0.050 0.050 {151.CG2} 21.797 0.050 0.050 {156.HB#} 3.810 0.050 0.050 1527784.37500 93319.56250 1 0 195 {151.HG2#} 1.192 0.050 0.050 {151.CG2} 21.842 0.050 0.050 {151.HB} 4.361 0.050 0.050 1856246.59375 117127.71875 1 0 196 {150.HB#} 3.210 0.050 0.050 {150.CB} 29.283 0.050 0.050 {148.HE#} 1.809 0.050 0.050 1120343.53125 61847.87500 1 0 197 {150.HA} 4.142 0.050 0.050 {150.CA} 60.443 0.050 0.050 {148.HE#} 1.801 0.050 0.050 1019153.28125 57280.75000 1 0 198 {149.HG} 1.717 0.050 0.050 {149.CG} 26.793 0.050 0.050 {149.HD2#} 0.864 0.050 0.050 1155132.81250 51972.75000 1 0 199 {149.HG} 1.716 0.050 0.050 {149.CG} 26.793 0.050 0.050 {149.HD1#} 0.739 0.050 0.050 1664691.21875 77197.56250 1 0 200 {149.HD2#} 0.866 0.050 0.050 {149.CD2} 27.812 0.050 0.050 {149.HD1#} 0.741 0.050 0.050 11720096.59375 718464.37500 1 0 202 {149.HD2#} 0.864 0.050 0.050 {149.CD2} 27.860 0.050 0.050 {149.HG} 1.734 0.050 0.050 3277018.84375 180780.59375 1 0 203 {149.HD2#} 0.867 0.050 0.050 {149.CD2} 27.697 0.050 0.050 {146.HB1} 1.834 0.050 0.050 2726297.21875 174431.50000 1 0 204 {149.HD2#} 0.865 0.050 0.050 {149.CD2} 27.719 0.050 0.050 {145.HB} 1.983 0.050 0.050 1289380.68750 65295.59375 1 0 205 {149.HD2#} 0.871 0.050 0.050 {149.CD2} 27.702 0.050 0.050 {148.HB2} 2.184 0.050 0.050 1296543.56250 68741.62500 1 0 206 {149.HD2#} 0.867 0.050 0.050 {149.CD2} 27.763 0.050 0.050 {145.HA} 3.408 0.050 0.050 2812857.15625 167038.40625 1 0 208 {149.HD2#} 0.859 0.050 0.050 {149.CD2} 27.734 0.050 0.050 {148.HA} 4.192 0.050 0.050 916901.59375 52890.31250 1 0 212 {149.HD1#} 0.740 0.050 0.050 {149.CD1} 25.677 0.050 0.050 {152.HB2} 1.504 0.050 0.050 1716040.40625 115885.65625 1 0 213 {149.HD1#} 0.739 0.050 0.050 {149.CD1} 25.677 0.050 0.050 {146.HB2} 1.527 0.050 0.050 1779566.65625 114885.53125 1 0 214 {149.HD1#} 0.743 0.050 0.050 {149.CD1} 25.661 0.050 0.050 {149.HG} 1.716 0.050 0.050 4597984.09375 318507.25000 1 0 215 {149.HD1#} 0.740 0.050 0.050 {149.CD1} 25.677 0.050 0.050 {148.HB1} 1.784 0.050 0.050 3147083.40625 202333.71875 1 0 216 {149.HD1#} 0.739 0.050 0.050 {149.CD1} 25.677 0.050 0.050 {146.HB1} 1.836 0.050 0.050 2722650.59375 174715.78125 1 0 217 {149.HD1#} 0.744 0.050 0.050 {149.CD1} 25.671 0.050 0.050 {148.HB2} 2.206 0.050 0.050 1036742.46875 80284.59375 1 0 218 {149.HD1#} 0.741 0.050 0.050 {149.CD1} 25.667 0.050 0.050 {145.HA} 3.402 0.050 0.050 1588093.21875 112082.84375 1 0 219 {149.HD1#} 0.740 0.050 0.050 {149.CD1} 25.677 0.050 0.050 {149.HA} 3.935 0.050 0.050 2564923.37500 170017.62500 1 0 220 {149.HB1} 1.878 0.050 0.050 {149.CB} 42.156 0.050 0.050 {149.HD1#} 0.740 0.050 0.050 1473064.71875 77570.90625 1 0 221 {149.HB1} 1.874 0.050 0.050 {149.CB} 42.135 0.050 0.050 {148.HE#} 1.805 0.050 0.050 925651.53125 55280.53125 1 0 222 {149.HB2} 1.490 0.050 0.050 {149.CB} 41.961 0.050 0.050 {152.HD2#} 0.707 0.050 0.050 1558501.43750 83644.75000 1 0 226 {149.HB2} 1.486 0.050 0.050 {149.CB} 41.954 0.050 0.050 {148.HE#} 1.817 0.050 0.050 1319725.93750 73515.06250 1 0 228 {149.HB2} 1.490 0.050 0.050 {149.CB} 41.961 0.050 0.050 {152.HB1} 1.847 0.050 0.050 1165241.21875 62256.84375 1 0 229 {149.HB2} 1.491 0.050 0.050 {149.CB} 41.961 0.050 0.050 {148.HB1} 1.786 0.050 0.050 1194755.96875 59466.31250 1 0 231 {149.HA} 3.937 0.050 0.050 {149.CA} 58.011 0.050 0.050 {149.HD1#} 0.740 0.050 0.050 1551129.28125 80770.84375 1 0 232 {149.HA} 3.943 0.050 0.050 {149.CA} 58.011 0.050 0.050 {152.HD2#} 0.719 0.050 0.050 1461309.78125 85873.75000 1 0 241 {148.HE#} 1.814 0.050 0.050 {148.CE} 17.616 0.050 0.050 {145.HG2#} 0.748 0.050 0.050 5584795.31250 422071.53125 1 0 243 {148.HE#} 1.814 0.050 0.050 {148.CE} 17.616 0.050 0.050 {152.HD2#} 0.710 0.050 0.050 4260514.03125 235918.56250 1 0 244 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.622 0.050 0.050 {149.HD2#} 0.868 0.050 0.050 31394194.34375 2445570.50000 1 0 245 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.632 0.050 0.050 {153.HG2#} 0.969 0.050 0.050 10047316.06250 823126.37500 1 0 250 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.660 0.050 0.050 {149.HB2} 1.483 0.050 0.050 4740922.68750 378298.56250 1 0 252 {148.HE#} 1.816 0.050 0.050 {148.CE} 17.616 0.050 0.050 {146.HB2} 1.527 0.050 0.050 3871270.03125 270590.15625 1 0 253 {148.HE#} 1.814 0.050 0.050 {148.CE} 17.616 0.050 0.050 {153.HB} 2.151 0.050 0.050 4785902.46875 351006.00000 1 0 255 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.616 0.050 0.050 {144.HG2} 2.109 0.050 0.050 4785902.46875 321772.28125 1 0 256 {148.HE#} 1.814 0.050 0.050 {148.CE} 17.616 0.050 0.050 {144.HB2} 2.190 0.050 0.050 2367332.65625 162299.28125 1 0 258 {148.HE#} 1.813 0.050 0.050 {148.CE} 17.634 0.050 0.050 {144.HG1} 2.352 0.050 0.050 892503.18750 64638.71875 1 0 259 {148.HE#} 1.817 0.050 0.050 {148.CE} 17.616 0.050 0.050 {148.HG1} 2.472 0.050 0.050 803667.21875 50968.25000 1 0 260 {148.HE#} 1.818 0.050 0.050 {148.CE} 17.678 0.050 0.050 {148.HG2} 2.728 0.050 0.050 706938.25000 50524.68750 1 0 261 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.615 0.050 0.050 {150.HB#} 3.219 0.050 0.050 3137341.31250 242918.03125 1 0 262 {148.HE#} 1.816 0.050 0.050 {148.CE} 17.654 0.050 0.050 {145.HA} 3.397 0.050 0.050 495573.37500 51475.56250 1 0 263 {148.HE#} 1.814 0.050 0.050 {148.CE} 17.651 0.050 0.050 {153.HA} 3.596 0.050 0.050 1523307.56250 110583.93750 1 0 264 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.642 0.050 0.050 {151.HA} 3.828 0.050 0.050 4031397.46875 282280.50000 1 0 265 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.616 0.050 0.050 {147.HA2} 3.936 0.050 0.050 1372221.25000 88301.96875 1 0 266 {148.HE#} 1.814 0.050 0.050 {148.CE} 17.616 0.050 0.050 {144.HA} 4.030 0.050 0.050 1987120.40625 145515.50000 1 0 267 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.610 0.050 0.050 {150.HA} 4.138 0.050 0.050 12360293.00000 1007994.37500 1 0 268 {148.HE#} 1.814 0.050 0.050 {148.CE} 17.616 0.050 0.050 {148.HA} 4.177 0.050 0.050 5886265.87500 364566.09375 1 0 275 {146.HG} 1.526 0.050 0.050 {146.CG} 27.762 0.050 0.050 {145.HD1#} 0.825 0.050 0.050 1009091.25000 55682.71875 1 0 277 {146.HD2#} 0.858 0.050 0.050 {146.CD2} 25.057 0.050 0.050 {142.HB2} 1.160 0.050 0.050 402615.78125 49950.93750 1 0 278 {146.HD2#} 0.857 0.050 0.050 {146.CD2} 25.124 0.050 0.050 {146.HG} 1.516 0.050 0.050 5893535.84375 384161.09375 1 0 281 {146.HD2#} 0.856 0.050 0.050 {146.CD2} 25.143 0.050 0.050 {146.HB1} 1.811 0.050 0.050 12052177.40625 749869.62500 1 0 282 {146.HD2#} 0.858 0.050 0.050 {146.CD2} 25.184 0.050 0.050 {145.HB} 1.967 0.050 0.050 3289092.59375 213329.65625 1 0 284 {146.HD2#} 0.856 0.050 0.050 {146.CD2} 25.057 0.050 0.050 {142.HB1} 2.200 0.050 0.050 7194994.34375 454461.59375 1 0 285 {146.HD2#} 0.857 0.050 0.050 {146.CD2} 25.078 0.050 0.050 {144.HG1} 2.370 0.050 0.050 2200807.09375 140011.96875 1 0 286 {146.HD2#} 0.852 0.050 0.050 {146.CD2} 25.207 0.050 0.050 {148.HG1} 2.497 0.050 0.050 675042.78125 48688.78125 1 0 289 {146.HD2#} 0.857 0.050 0.050 {146.CD2} 25.117 0.050 0.050 {141.HE1} 2.795 0.050 0.050 3226617.90625 207828.56250 1 0 290 {146.HD2#} 0.856 0.050 0.050 {146.CD2} 25.122 0.050 0.050 {145.HA} 3.407 0.050 0.050 4103483.68750 259085.68750 1 0 291 {146.HD2#} 0.856 0.050 0.050 {146.CD2} 25.141 0.050 0.050 {146.HA} 3.848 0.050 0.050 1471612.75000 92361.62500 1 0 293 {146.HD2#} 0.857 0.050 0.050 {146.CD2} 25.057 0.050 0.050 {142.HA} 3.976 0.050 0.050 1236300.18750 87417.59375 1 0 294 {146.HD2#} 0.856 0.050 0.050 {146.CD2} 25.057 0.050 0.050 {143.HB2} 4.032 0.050 0.050 2112588.15625 131968.53125 1 0 295 {146.HD2#} 0.857 0.050 0.050 {146.CD2} 25.107 0.050 0.050 {143.HA} 4.158 0.050 0.050 5434488.84375 354831.12500 1 0 296 {146.HB1} 1.836 0.050 0.050 {146.CB} 41.977 0.050 0.050 {149.HD1#} 0.739 0.050 0.050 1747581.87500 92804.34375 1 0 301 {146.HB2} 1.527 0.050 0.050 {146.CB} 41.947 0.050 0.050 {145.HG1#} 0.687 0.050 0.050 1184926.03125 64186.18750 1 0 302 {146.HB2} 1.533 0.050 0.050 {146.CB} 41.947 0.050 0.050 {149.HD1#} 0.726 0.050 0.050 903505.68750 54136.00000 1 0 307 {145.HG2#} 0.754 0.050 0.050 {145.CG2} 16.624 0.050 0.050 {142.HB2} 1.177 0.050 0.050 553791.40625 47710.53125 1 0 309 {145.HG2#} 0.751 0.050 0.050 {145.CG2} 16.745 0.050 0.050 {149.HB2} 1.491 0.050 0.050 1287913.12500 84004.93750 1 0 310 {145.HG2#} 0.750 0.050 0.050 {145.CG2} 16.745 0.050 0.050 {146.HB2} 1.526 0.050 0.050 1345282.46875 85784.68750 1 0 311 {145.HG2#} 0.756 0.050 0.050 {145.CG2} 16.717 0.050 0.050 {149.HG} 1.721 0.050 0.050 1069966.62500 66754.00000 1 0 315 {145.HG2#} 0.747 0.050 0.050 {145.CG2} 16.745 0.050 0.050 {149.HB1} 1.878 0.050 0.050 1126282.06250 62539.87500 1 0 317 {145.HG2#} 0.747 0.050 0.050 {145.CG2} 16.886 0.050 0.050 {145.HB} 1.995 0.050 0.050 1309447.25000 71796.18750 1 0 319 {145.HG2#} 0.746 0.050 0.050 {145.CG2} 16.771 0.050 0.050 {145.HA} 3.426 0.050 0.050 1050114.62500 72693.34375 1 0 321 {145.HG2#} 0.747 0.050 0.050 {145.CG2} 16.723 0.050 0.050 {146.HA} 3.828 0.050 0.050 829474.21875 53897.40625 1 0 322 {145.HG2#} 0.751 0.050 0.050 {145.CG2} 16.684 0.050 0.050 {142.HA} 4.004 0.050 0.050 720429.34375 49721.84375 1 0 329 {145.HD1#} 0.817 0.050 0.050 {145.CD1} 15.311 0.050 0.050 {141.HD1} 1.483 0.050 0.050 1283121.62500 76464.59375 1 0 331 {145.HD1#} 0.818 0.050 0.050 {145.CD1} 15.311 0.050 0.050 {141.HD2} 1.535 0.050 0.050 1818198.50000 97009.46875 1 0 337 {145.HD1#} 0.820 0.050 0.050 {145.CD1} 15.228 0.050 0.050 {145.HB} 1.989 0.050 0.050 2416860.87500 121006.59375 1 0 338 {145.HD1#} 0.819 0.050 0.050 {145.CD1} 15.311 0.050 0.050 {142.HG} 1.951 0.050 0.050 2045161.96875 95954.78125 1 0 341 {145.HD1#} 0.820 0.050 0.050 {145.CD1} 15.259 0.050 0.050 {145.HA} 3.442 0.050 0.050 953797.34375 52897.78125 1 0 342 {145.HD1#} 0.825 0.050 0.050 {145.CD1} 15.266 0.050 0.050 {146.HA} 3.831 0.050 0.050 821531.81250 58729.87500 1 0 345 {145.HD1#} 0.821 0.050 0.050 {145.CD1} 15.306 0.050 0.050 {142.HA} 3.988 0.050 0.050 1877719.00000 90468.65625 1 0 346 {145.HD1#} 0.815 0.050 0.050 {145.CD1} 15.185 0.050 0.050 {141.HA} 4.166 0.050 0.050 921128.93750 54133.71875 1 0 349 {145.HB} 2.000 0.050 0.050 {145.CB} 38.130 0.050 0.050 {145.HD1#} 0.803 0.050 0.050 980378.71875 52145.18750 1 0 350 {145.HA} 3.404 0.050 0.050 {145.CA} 65.832 0.050 0.050 {145.HG2#} 0.746 0.050 0.050 1067426.28125 57121.31250 1 0 351 {145.HA} 3.406 0.050 0.050 {145.CA} 65.786 0.050 0.050 {146.HD2#} 0.856 0.050 0.050 2467150.37500 137602.62500 1 0 356 {145.HA} 3.405 0.050 0.050 {145.CA} 65.813 0.050 0.050 {145.HD1#} 0.816 0.050 0.050 1360682.62500 59565.75000 1 0 359 {144.HG1} 2.368 0.050 0.050 {144.CG} 36.102 0.050 0.050 {146.HD2#} 0.852 0.050 0.050 1440558.34375 77486.18750 1 0 361 {144.HG2} 2.121 0.050 0.050 {144.CG} 36.153 0.050 0.050 {146.HD2#} 0.855 0.050 0.050 1979739.62500 121075.12500 1 0 362 {144.HB2} 2.191 0.050 0.050 {144.CB} 29.636 0.050 0.050 {146.HD2#} 0.861 0.050 0.050 3541407.37500 204015.56250 1 0 367 {144.HB1} 2.126 0.050 0.050 {144.CB} 29.656 0.050 0.050 {146.HD2#} 0.848 0.050 0.050 877940.18750 57489.65625 1 0 369 {142.HD2#} 0.947 0.050 0.050 {142.CD2} 29.041 0.050 0.050 {145.HG1#} 0.710 0.050 0.050 2489124.65625 148820.43750 1 0 371 {142.HD2#} 0.944 0.050 0.050 {142.CD2} 28.937 0.050 0.050 {146.HG} 1.517 0.050 0.050 952749.50000 60614.59375 1 0 372 {142.HD2#} 0.948 0.050 0.050 {142.CD2} 28.937 0.050 0.050 {141.HB2} 1.590 0.050 0.050 900005.09375 66523.21875 1 0 375 {142.HD2#} 0.944 0.050 0.050 {142.CD2} 29.139 0.050 0.050 {{148.HB1 148.HE#}} 1.797 0.050 {?} 1168391.12500 76049.46875 {?} 0 376 {142.HD2#} 0.946 0.050 0.050 {142.CD2} 29.076 0.050 0.050 {138.HB} 1.958 0.050 0.050 1602044.93750 98247.56250 1 0 378 {142.HD2#} 0.950 0.050 0.050 {142.CD2} 28.937 0.050 0.050 {145.HB} 1.999 0.050 0.050 1341601.62500 76983.15625 1 0 379 {142.HD2#} 0.946 0.050 0.050 {142.CD2} 29.071 0.050 0.050 {141.HB1} 2.095 0.050 0.050 1067368.43750 69628.96875 1 0 380 {142.HD2#} 0.946 0.050 0.050 {142.CD2} 28.971 0.050 0.050 {138.HA} 3.494 0.050 0.050 2836224.81250 162953.46875 1 0 381 {142.HD2#} 0.946 0.050 0.050 {142.CD2} 28.937 0.050 0.050 {139.HA} 4.192 0.050 0.050 1063362.90625 57516.50000 1 0 384 {142.HD1#} 0.687 0.050 0.050 {142.CD1} 24.444 0.050 0.050 {142.HD2#} 0.933 0.050 0.050 2860302.84375 141046.31250 1 0 387 {142.HD1#} 0.689 0.050 0.050 {142.CD1} 24.624 0.050 0.050 {141.HB2} 1.583 0.050 0.050 707421.37500 49073.28125 1 0 388 {142.HD1#} 0.689 0.050 0.050 {142.CD1} 24.655 0.050 0.050 {141.HG2} 1.762 0.050 0.050 689611.06250 49511.53125 1 0 390 {142.HD1#} 0.683 0.050 0.050 {142.CD1} 24.405 0.050 0.050 {138.HB} 1.963 0.050 0.050 1611366.65625 77355.46875 1 0 391 {142.HD1#} 0.683 0.050 0.050 {142.CD1} 24.405 0.050 0.050 {145.HB} 1.999 0.050 0.050 1340306.75000 57151.93750 1 0 394 {142.HD1#} 0.685 0.050 0.050 {142.CD1} 24.421 0.050 0.050 {142.HA} 3.973 0.050 0.050 1462009.75000 69664.43750 1 0 396 {142.HA} 3.981 0.050 0.050 {142.CA} 58.176 0.050 0.050 {145.HG2#} 0.747 0.050 0.050 1034430.43750 51926.15625 1 0 401 {141.HE2} 2.836 0.050 0.050 {141.CE} 41.782 0.050 0.050 {146.HD2#} 0.858 0.050 0.050 2012875.87500 118916.68750 1 0 407 {141.HE1} 2.772 0.050 0.050 {141.CE} 41.753 0.050 0.050 {146.HD2#} 0.868 0.050 0.050 1735929.00000 99865.18750 1 0 410 {141.HD2} 1.532 0.050 0.050 {141.CD} 29.538 0.050 0.050 {146.HD2#} 0.854 0.050 0.050 1329118.90625 62904.90625 1 0 411 {141.HD1} 1.482 0.050 0.050 {141.CD} 29.463 0.050 0.050 {146.HD2#} 0.866 0.050 0.050 1388349.87500 73617.15625 1 0 415 {138.HG2#} 0.810 0.050 0.050 {138.CG2} 16.319 0.050 0.050 {138.HB} 1.966 0.050 0.050 1586339.03125 64470.25000 1 0 421 {138.HD1#} 0.802 0.050 0.050 {138.CD1} 14.666 0.050 0.050 {135.HG} 1.845 0.050 0.050 1058001.65625 60428.18750 1 0 422 {138.HD1#} 0.814 0.050 0.050 {138.CD1} 14.666 0.050 0.050 {137.HB1} 1.911 0.050 0.050 1338964.06250 61553.28125 1 0 423 {138.HD1#} 0.801 0.050 0.050 {138.CD1} 14.666 0.050 0.050 {137.HB2} 1.988 0.050 0.050 1950588.68750 96398.40625 1 0 424 {138.HD1#} 0.804 0.050 0.050 {138.CD1} 14.666 0.050 0.050 {135.HB1} 1.964 0.050 0.050 1994010.09375 100905.56250 1 0 425 {138.HD1#} 0.805 0.050 0.050 {138.CD1} 14.666 0.050 0.050 {135.HA} 3.988 0.050 0.050 1891617.25000 85982.59375 1 0 426 {138.HD1#} 0.805 0.050 0.050 {138.CD1} 14.666 0.050 0.050 {134.HA} 3.956 0.050 0.050 1794156.50000 99352.12500 1 0 440 {135.HD2#} 0.713 0.050 0.050 {135.CD2} 26.812 0.050 0.050 {131.HG11} 1.610 0.050 0.050 1011124.90625 72268.62500 1 0 442 {135.HD2#} 0.717 0.050 0.050 {135.CD2} 27.078 0.050 0.050 {135.HG} 1.847 0.050 0.050 2562538.93750 136491.68750 1 0 444 {135.HD2#} 0.715 0.050 0.050 {135.CD2} 27.153 0.050 0.050 {131.HB} 1.894 0.050 0.050 1983988.68750 86326.65625 1 0 445 {135.HD2#} 0.715 0.050 0.050 {135.CD2} 27.120 0.050 0.050 {138.HB} 1.968 0.050 0.050 1523380.81250 83041.34375 1 0 446 {135.HD2#} 0.715 0.050 0.050 {135.CD2} 27.222 0.050 0.050 {131.HA} 3.607 0.050 0.050 2063818.31250 106212.65625 1 0 448 {135.HD2#} 0.716 0.050 0.050 {135.CD2} 27.244 0.050 0.050 {135.HA} 3.966 0.050 0.050 1105987.37500 62405.31250 1 0 452 {135.HD1#} 0.604 0.050 0.050 {135.CD1} 22.802 0.050 0.050 {135.HG} 1.843 0.050 0.050 1895454.53125 114618.78125 1 0 453 {135.HD1#} 0.605 0.050 0.050 {135.CD1} 22.805 0.050 0.050 {131.HB} 1.892 0.050 0.050 1292067.46875 74427.40625 1 0 454 {135.HD1#} 0.606 0.050 0.050 {135.CD1} 22.791 0.050 0.050 {138.HB} 1.970 0.050 0.050 1325357.25000 77285.37500 1 0 457 {135.HD1#} 0.604 0.050 0.050 {135.CD1} 22.737 0.050 0.050 {135.HA} 3.950 0.050 0.050 1732075.15625 110641.78125 1 0 459 {135.HA} 3.969 0.050 0.050 {135.CA} 57.838 0.050 0.050 {138.HD1#} 0.805 0.050 0.050 981986.28125 49334.78125 1 0 464 {134.HA} 3.956 0.050 0.050 {134.CA} 58.282 0.050 0.050 {135.HD2#} 0.714 0.050 0.050 1320921.87500 65947.78125 1 0 465 {133.HB#} 1.409 0.050 0.050 {133.CB} 18.063 0.050 0.050 {131.HA} 3.608 0.050 0.050 975848.87500 73550.15625 1 0 466 {133.HB#} 1.404 0.050 0.050 {133.CB} 18.063 0.050 0.050 {133.HA} 4.122 0.050 0.050 3439276.06250 212285.03125 1 0 467 {133.HB#} 1.403 0.050 0.050 {133.CB} 18.063 0.050 0.050 {132.HB} 4.071 0.050 0.050 2847611.09375 177970.56250 1 0 469 {132.HG2#} 1.107 0.050 0.050 {132.CG2} 22.355 0.050 0.050 {131.HD1#} 0.794 0.050 0.050 3805294.87500 207408.78125 1 0 470 {132.HG2#} 1.107 0.050 0.050 {132.CG2} 22.378 0.050 0.050 {131.HG2#} 0.775 0.050 0.050 3504983.21875 191781.34375 1 0 471 {132.HG2#} 1.104 0.050 0.050 {132.CG2} 22.342 0.050 0.050 {131.HG11} 1.551 0.050 0.050 1288366.28125 81025.96875 1 0 472 {132.HG2#} 1.106 0.050 0.050 {132.CG2} 22.208 0.050 0.050 {135.HG} 1.873 0.050 0.050 728969.71875 48831.62500 1 0 473 {132.HG2#} 1.104 0.050 0.050 {132.CG2} 22.378 0.050 0.050 {130.HB1} 2.830 0.050 0.050 1020857.90625 55680.78125 1 0 474 {132.HG2#} 1.106 0.050 0.050 {132.CG2} 22.378 0.050 0.050 {130.HB2} 2.786 0.050 0.050 970709.96875 56058.15625 1 0 475 {132.HG2#} 1.102 0.050 0.050 {132.CG2} 22.354 0.050 0.050 {134.HD#} 3.097 0.050 0.050 1067479.96875 65761.40625 1 0 476 {132.HG2#} 1.106 0.050 0.050 {132.CG2} 22.378 0.050 0.050 {131.HA} 3.612 0.050 0.050 1654709.56250 96346.62500 1 0 477 {132.HG2#} 1.107 0.050 0.050 {132.CG2} 22.378 0.050 0.050 {132.HA} 3.563 0.050 0.050 808079.93750 84362.43750 1 0 478 {132.HG2#} 1.105 0.050 0.050 {132.CG2} 22.314 0.050 0.050 {132.HB} 4.055 0.050 0.050 1480671.46875 97125.06250 1 0 479 {132.HG2#} 1.106 0.050 0.050 {132.CG2} 22.278 0.050 0.050 {129.HA} 4.503 0.050 0.050 1033762.93750 69641.46875 1 0 480 {131.HG2#} 0.775 0.050 0.050 {131.CG2} 17.162 0.050 0.050 {131.HG11} 1.548 0.050 0.050 1396476.06250 102801.96875 1 0 481 {131.HG2#} 0.772 0.050 0.050 {131.CG2} 17.146 0.050 0.050 {131.HB} 1.891 0.050 0.050 2183677.68750 129649.90625 1 0 483 {131.HG2#} 0.773 0.050 0.050 {131.CG2} 17.146 0.050 0.050 {135.HG} 1.845 0.050 0.050 1802828.62500 126869.93750 1 0 485 {131.HG2#} 0.773 0.050 0.050 {131.CG2} 17.146 0.050 0.050 {131.HA} 3.612 0.050 0.050 1218737.03125 86045.43750 1 0 486 {131.HG2#} 0.777 0.050 0.050 {131.CG2} 17.146 0.050 0.050 {132.HA} 3.537 0.050 0.050 1111632.84375 82125.62500 1 0 487 {131.HG2#} 0.777 0.050 0.050 {131.CG2} 16.999 0.050 0.050 {135.HA} 3.963 0.050 0.050 695306.06250 52481.25000 1 0 489 {131.HG11} 1.559 0.050 0.050 {131.CG1} 29.062 0.050 0.050 {135.HD2#} 0.718 0.050 0.050 1129129.06250 59225.75000 1 0 490 {131.HG11} 1.564 0.050 0.050 {131.CG1} 29.062 0.050 0.050 {131.HD1#} 0.796 0.050 0.050 1628602.34375 77509.50000 1 0 491 {131.HG11} 1.564 0.050 0.050 {131.CG1} 29.062 0.050 0.050 {131.HG2#} 0.774 0.050 0.050 1550014.93750 76094.65625 1 0 492 {131.HG11} 1.563 0.050 0.050 {131.CG1} 29.062 0.050 0.050 {127.HG2#} 1.150 0.050 0.050 923463.37500 54598.84375 1 0 493 {131.HG11} 1.564 0.050 0.050 {131.CG1} 29.062 0.050 0.050 {132.HG2#} 1.104 0.050 0.050 964338.25000 53674.71875 1 0 494 {131.HG12} 0.990 0.050 0.050 {131.CG1} 29.032 0.050 0.050 {135.HD2#} 0.726 0.050 0.050 985994.40625 46680.21875 1 0 496 {131.HG12} 0.984 0.050 0.050 {131.CG1} 29.032 0.050 0.050 {131.HD1#} 0.795 0.050 0.050 2353472.15625 127844.09375 1 0 498 {131.HD1#} 0.795 0.050 0.050 {131.CD1} 13.156 0.050 0.050 {127.HG2#} 1.151 0.050 0.050 2590212.84375 175304.28125 1 0 499 {131.HD1#} 0.796 0.050 0.050 {131.CD1} 13.156 0.050 0.050 {132.HG2#} 1.104 0.050 0.050 2759679.37500 177163.46875 1 0 500 {131.HD1#} 0.799 0.050 0.050 {131.CD1} 13.117 0.050 0.050 {131.HG11} 1.566 0.050 0.050 1484310.53125 90531.59375 1 0 501 {131.HD1#} 0.796 0.050 0.050 {131.CD1} 13.172 0.050 0.050 {131.HB} 1.900 0.050 0.050 2848410.00000 174731.68750 1 0 504 {131.HD1#} 0.797 0.050 0.050 {131.CD1} 13.114 0.050 0.050 {128.HB2} 2.746 0.050 0.050 851183.37500 59307.40625 1 0 506 {131.HD1#} 0.795 0.050 0.050 {131.CD1} 13.106 0.050 0.050 {132.HA} 3.539 0.050 0.050 1136208.37500 75127.56250 1 0 507 {131.HD1#} 0.798 0.050 0.050 {131.CD1} 13.144 0.050 0.050 {128.HA} 4.605 0.050 0.050 960035.71875 63419.78125 1 0 508 {131.HB} 1.892 0.050 0.050 {131.CB} 37.678 0.050 0.050 {131.HD1#} 0.797 0.050 0.050 1585008.68750 89735.75000 1 0 511 {131.HA} 3.618 0.050 0.050 {131.CA} 64.629 0.050 0.050 {131.HD1#} 0.787 0.050 0.050 1218830.87500 67101.56250 1 0 512 {127.HG2#} 1.146 0.050 0.050 {127.CG2} 21.658 0.050 0.050 {131.HD1#} 0.792 0.050 0.050 1883222.93750 113326.53125 1 0 514 {127.HG2#} 1.148 0.050 0.050 {127.CG2} 21.690 0.050 0.050 {131.HG11} 1.561 0.050 0.050 641702.50000 61328.71875 1 0 515 {127.HG2#} 1.150 0.050 0.050 {127.CG2} 21.607 0.050 0.050 {131.HB} 1.895 0.050 0.050 808835.84375 60049.75000 1 0 517 {127.HG2#} 1.147 0.050 0.050 {127.CG2} 21.694 0.050 0.050 {127.HA} 4.241 0.050 0.050 2311389.46875 178703.59375 1 0 518 {126.HB#} 3.855 0.050 0.050 {126.CB} 63.684 0.050 0.050 {126.HA} 4.499 0.050 0.050 727429.12500 56805.75000 1 0 519 {153.HG2#} 0.946 0.050 0.050 {153.CG2} 22.703 0.050 0.050 {156.HB#} 3.804 0.050 0.050 555894.43750 42581.18750 1 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 HN . folded 1997.5 Hz . . . 4.792 . . 34513 1 2 . . N 15 N . folded 1501.5 Hz . . . 119.3 . . 34513 1 3 . . H 1 H . folded 9505.7 Hz . . . 4.90 . . 34513 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 34513 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 2 _Spectral_peak_list.Sample_label $sample_2 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 14 _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf HC C H None {4438.92 } {15290.52 } {4752.85 } {949.9045 } {238.8617 } {949.9045 } HC.L HC.P HC.W HC.B C.L C.P C.W C.B H.L H.P H.W H.B vol int stat flag0 1 {163.HG#} 1.516 0.050 0.050 {163.CG} 26.984 0.050 0.050 {163.HD#} 3.101 0.050 0.050 1232577.00000 104613.50000 1 0 2 {163.HD#} 3.110 0.050 0.050 {163.CD} 43.456 0.050 0.050 {163.HB2} 1.770 0.050 0.050 1196415.00000 88008.50000 1 0 3 {163.HD#} 3.110 0.050 0.050 {163.CD} 43.377 0.050 0.050 {163.HB1} 1.632 0.050 0.050 1099716.00000 94729.50000 1 0 4 {163.HD2} 3.111 0.050 0.050 {163.CD} 43.202 0.050 0.050 {163.HG#} 1.535 0.050 0.050 1624741.00000 121382.00000 1 0 5 {163.HB2} 1.775 0.050 0.050 {163.CB} 31.439 0.050 0.050 {163.HB1} 1.639 0.050 0.050 43576226.00000 2601026.00000 1 0 6 {163.HB2} 1.768 0.050 0.050 {163.CB} 31.524 0.050 0.050 {163.HG#} 1.537 0.050 0.050 3439679.00000 230384.50000 1 0 7 {163.HB2} 1.762 0.050 0.050 {163.CB} 31.575 0.050 0.050 {163.HA} 4.077 0.050 0.050 947032.00000 57617.00000 1 0 10 {163.HA} 4.088 0.050 0.050 {163.CA} 57.208 0.050 0.050 {163.HD#} 3.109 0.050 0.050 625196.00000 68025.00000 1 0 11 {163.HA} 4.083 0.050 0.050 {163.CA} 57.251 0.050 0.050 {163.HB2} 1.779 0.050 0.050 2312600.50000 148778.50000 1 0 12 {163.HA} 4.092 0.050 0.050 {163.CA} 57.215 0.050 0.050 {163.HB1} 1.630 0.050 0.050 1127205.50000 97503.00000 1 0 13 {163.HA} 4.077 0.050 0.050 {163.CA} 57.264 0.050 0.050 {163.HG#} 1.518 0.050 0.050 1791497.50000 95338.00000 1 0 14 {162.HB#} 1.312 0.050 0.050 {162.CB} 19.152 0.050 0.050 {162.HA} 4.263 0.050 0.050 7249514.50000 477988.00000 1 0 15 {162.HA} 4.271 0.050 0.050 {162.CA} 52.415 0.050 0.050 {162.HB#} 1.328 0.050 0.050 5997485.50000 386894.00000 1 0 17 {161.HA} 4.374 0.050 0.050 {161.CA} 58.112 0.050 0.050 {161.HB#} 3.802 0.050 0.050 13129838.00000 859877.00000 1 0 18 {160.HG2#} 1.146 0.050 0.050 {160.CG2} 21.394 0.050 0.050 {159.HD#} 3.579 0.050 0.050 564983.50000 153085.00000 1 0 19 {160.HA} 4.301 0.050 0.050 {160.CA} 61.725 0.050 0.050 {160.HG2#} 1.154 0.050 0.050 8249519.00000 539295.00000 1 0 20 {159.HG#} 1.967 0.050 0.050 {159.CG} 27.161 0.050 0.050 {159.HA} 4.454 0.050 0.050 2250415.50000 126917.50000 1 0 21 {159.HG#} 1.963 0.050 0.050 {159.CG} 27.169 0.050 0.050 {159.HD#} 3.588 0.050 0.050 23044591.00000 1324646.00000 1 0 22 {159.HG#} 1.965 0.050 0.050 {159.CG} 27.180 0.050 0.050 {159.HB1} 2.229 0.050 0.050 9740968.50000 528178.50000 1 0 23 {159.HD#} 3.585 0.050 0.050 {159.CD} 49.845 0.050 0.050 {159.HB1} 2.235 0.050 0.050 1774995.50000 103743.50000 1 0 24 {159.HB1} 2.237 0.050 0.050 {159.CB} 32.104 0.050 0.050 {159.HB2} 1.911 0.050 0.050 26637356.50000 1575492.50000 1 0 25 {159.HB1} 2.231 0.050 0.050 {159.CB} 32.095 0.050 0.050 {159.HD#} 3.582 0.050 0.050 2359032.00000 118394.50000 1 0 26 {159.HB1} 2.233 0.050 0.050 {159.CB} 32.096 0.050 0.050 {159.HA} 4.448 0.050 0.050 8665309.00000 502744.00000 1 0 28 {159.HB2} 1.908 0.050 0.050 {159.CB} 32.100 0.050 0.050 {159.HB1} 2.234 0.050 0.050 28643250.50000 1734497.00000 1 0 29 {159.HB2} 1.910 0.050 0.050 {159.CB} 32.132 0.050 0.050 {159.HD#} 3.587 0.050 0.050 2424217.00000 127323.50000 1 0 30 {159.HB2} 1.912 0.050 0.050 {159.CB} 32.049 0.050 0.050 {159.HA} 4.446 0.050 0.050 3674860.50000 190671.50000 1 0 31 {159.HA} 4.447 0.050 0.050 {159.CA} 63.345 0.050 0.050 {159.HD#} 3.589 0.050 0.050 2449376.00000 146562.00000 1 0 32 {159.HA} 4.447 0.050 0.050 {159.CA} 63.356 0.050 0.050 {159.HB1} 2.230 0.050 0.050 15050974.00000 869098.50000 1 0 33 {159.HA} 4.446 0.050 0.050 {159.CA} 63.310 0.050 0.050 {159.HB2} 1.910 0.050 0.050 7004611.00000 350397.50000 1 0 34 {158.HA2} 4.064 0.050 0.050 {158.CA} 44.594 0.050 0.050 {159.HD2} 3.598 0.050 0.050 13273873.00000 777953.50000 1 0 35 {158.HA1} 4.034 0.050 0.050 {158.CA} 44.585 0.050 0.050 {159.HD2} 3.594 0.050 0.050 13439203.00000 719893.50000 1 0 36 {158.HA2} 4.061 0.050 0.050 {158.CA} 44.534 0.050 0.050 {159.HG#} 1.963 0.050 0.050 1309256.00000 74220.00000 1 0 37 {157.HB#} 1.375 0.050 0.050 {157.CB} 19.287 0.050 0.050 {157.HA} 4.318 0.050 0.050 33960599.50000 1967550.50000 1 0 38 {157.HB#} 1.377 0.050 0.050 {157.CB} 19.235 0.050 0.050 {156.HB#} 3.816 0.050 0.050 2269229.00000 170698.50000 1 0 39 {157.HB#} 1.371 0.050 0.050 {157.CB} 19.335 0.050 0.050 {158.HA1} 4.034 0.050 0.050 1520722.50000 98033.50000 1 0 40 {157.HB#} 1.372 0.050 0.050 {157.CB} 19.352 0.050 0.050 {153.HA} 3.578 0.050 0.050 1484457.00000 105998.00000 1 0 41 {157.HA} 4.316 0.050 0.050 {157.CA} 52.469 0.050 0.050 {157.HB#} 1.376 0.050 0.050 30266905.00000 1737957.50000 1 0 42 {157.HA} 4.318 0.050 0.050 {157.CA} 52.455 0.050 0.050 {156.HB#} 3.798 0.050 0.050 1800562.50000 105663.00000 1 0 43 {156.HA} 4.294 0.050 0.050 {156.CA} 59.244 0.050 0.050 {156.HB#} 3.814 0.050 0.050 22693860.00000 1254009.50000 1 0 44 {156.HA} 4.296 0.050 0.050 {156.CA} 59.349 0.050 0.050 {155.HB#} 1.405 0.050 0.050 2235166.50000 124951.00000 1 0 45 {155.HB#} 1.407 0.050 0.050 {155.CB} 18.411 0.050 0.050 {156.HB#} 3.811 0.050 0.050 5685057.00000 350627.00000 1 0 46 {155.HB#} 1.407 0.050 0.050 {155.CB} 18.425 0.050 0.050 {152.HA} 4.036 0.050 0.050 11785343.50000 677291.00000 1 0 47 {155.HA} 4.161 0.050 0.050 {155.CA} 53.765 0.050 0.050 {154.HG1#} 0.822 0.050 0.050 2446528.00000 134703.00000 1 0 48 {155.HA} 4.163 0.050 0.050 {155.CA} 53.741 0.050 0.050 {155.HB#} 1.410 0.050 0.050 20526700.50000 1121992.50000 1 0 49 {154.HG1#} 0.822 0.050 0.050 {154.CG1} 21.066 0.050 0.050 {154.HB} 1.984 0.050 0.050 25963340.00000 1414542.00000 1 0 50 {154.HG1#} 0.824 0.050 0.050 {154.CG1} 21.085 0.050 0.050 {154.HA} 3.719 0.050 0.050 13703850.00000 772508.50000 1 0 51 {154.HG1#} 0.824 0.050 0.050 {154.CG1} 21.087 0.050 0.050 {155.HA} 4.161 0.050 0.050 3026583.50000 161043.00000 1 0 52 {154.HG2#} 0.809 0.050 0.050 {154.CG2} 21.892 0.050 0.050 {154.HB} 1.982 0.050 0.050 21610693.00000 1304341.50000 1 0 53 {154.HG2#} 0.809 0.050 0.050 {154.CG2} 21.881 0.050 0.050 {154.HA} 3.718 0.050 0.050 21859108.50000 1362247.50000 1 0 54 {154.HB} 1.985 0.050 0.050 {154.CB} 31.603 0.050 0.050 {154.HG2#} 0.816 0.050 0.050 22063974.00000 1164569.50000 1 0 55 {154.HB} 1.988 0.050 0.050 {154.CB} 31.603 0.050 0.050 {154.HA} 3.716 0.050 0.050 3201924.50000 153703.00000 1 0 57 {154.HA} 3.720 0.050 0.050 {154.CA} 65.200 0.050 0.050 {157.HB#} 1.382 0.050 0.050 2194478.00000 119839.00000 1 0 58 {154.HA} 3.718 0.050 0.050 {154.CA} 65.220 0.050 0.050 {154.HB} 1.989 0.050 0.050 4704242.00000 247437.00000 1 0 59 {153.HG2#} 0.949 0.050 0.050 {153.CG2} 22.830 0.050 0.050 {149.HB2} 1.490 0.050 0.050 3218632.00000 184751.00000 1 0 60 {153.HG2#} 0.949 0.050 0.050 {153.CG2} 22.847 0.050 0.050 {152.HG} 1.703 0.050 0.050 5377004.50000 318596.50000 1 0 61 {153.HG2#} 0.949 0.050 0.050 {153.CG2} 22.813 0.050 0.050 {153.HB} 2.140 0.050 0.050 14310757.00000 769361.00000 1 0 62 {153.HG2#} 0.948 0.050 0.050 {153.CG2} 22.815 0.050 0.050 {153.HA} 3.593 0.050 0.050 14522529.50000 790270.50000 1 0 63 {153.HG2#} 0.952 0.050 0.050 {153.CG2} 22.883 0.050 0.050 {154.HA} 3.698 0.050 0.050 1927367.00000 124316.50000 1 0 64 {153.HG2#} 0.951 0.050 0.050 {153.CG2} 22.887 0.050 0.050 {156.HB#} 3.814 0.050 0.050 2313660.50000 150162.50000 1 0 65 {153.HG1#} 0.862 0.050 0.050 {153.CG1} 21.236 0.050 0.050 {152.HG} 1.689 0.050 0.050 2537808.00000 153656.50000 1 0 66 {153.HG1#} 0.860 0.050 0.050 {153.CG1} 21.207 0.050 0.050 {153.HB} 2.135 0.050 0.050 17562741.00000 1039730.00000 1 0 67 {153.HG1#} 0.860 0.050 0.050 {153.CG1} 21.208 0.050 0.050 {157.HB#} 1.384 0.050 0.050 3351252.00000 184379.50000 1 0 68 {153.HG1#} 0.864 0.050 0.050 {153.CG1} 21.179 0.050 0.050 {149.HB2} 1.488 0.050 0.050 1311807.00000 102044.50000 1 0 69 {153.HG1#} 0.860 0.050 0.050 {153.CG1} 21.188 0.050 0.050 {153.HA} 3.600 0.050 0.050 10669556.00000 665535.00000 1 0 70 {153.HG1#} 0.861 0.050 0.050 {153.CG1} 21.181 0.050 0.050 {154.HA} 3.701 0.050 0.050 4993004.50000 290971.00000 1 0 71 {153.HG1#} 0.863 0.050 0.050 {153.CG1} 21.158 0.050 0.050 {156.HB#} 3.819 0.050 0.050 2111781.50000 129920.50000 1 0 72 {153.HG1#} 0.859 0.050 0.050 {153.CG1} 21.229 0.050 0.050 {150.HA} 4.158 0.050 0.050 3280155.00000 187097.50000 1 0 73 {153.HB} 2.142 0.050 0.050 {153.CB} 31.686 0.050 0.050 {153.HG1#} 0.861 0.050 0.050 7795635.50000 418165.50000 1 0 74 {153.HB} 2.139 0.050 0.050 {153.CB} 31.696 0.050 0.050 {153.HG2#} 0.945 0.050 0.050 6387407.00000 330757.00000 1 0 75 {153.HB} 2.148 0.050 0.050 {153.CB} 31.709 0.050 0.050 {153.HA} 3.602 0.050 0.050 2337752.00000 117651.50000 1 0 76 {153.HB} 2.140 0.050 0.050 {153.CB} 31.686 0.050 0.050 {150.HA} 4.152 0.050 0.050 2532530.00000 128878.50000 1 0 77 {153.HA} 3.593 0.050 0.050 {153.CA} 66.051 0.050 0.050 {156.HB#} 3.819 0.050 0.050 2032664.50000 105118.00000 1 0 78 {153.HA} 3.592 0.050 0.050 {153.CA} 66.088 0.050 0.050 {153.HG2#} 0.946 0.050 0.050 6751522.00000 335543.00000 1 0 79 {153.HA} 3.592 0.050 0.050 {153.CA} 66.065 0.050 0.050 {153.HG1#} 0.853 0.050 0.050 5840384.00000 292387.00000 1 0 80 {152.HG} 1.688 0.050 0.050 {152.CG} 26.635 0.050 0.050 {152.HD1#} 0.696 0.050 0.050 10894234.00000 502892.50000 1 0 81 {152.HG} 1.693 0.050 0.050 {152.CG} 26.739 0.050 0.050 {153.HG2#} 0.948 0.050 0.050 2283411.50000 116102.50000 1 0 82 {152.HG} 1.694 0.050 0.050 {152.CG} 26.600 0.050 0.050 {152.HA} 4.022 0.050 0.050 1533769.50000 85616.50000 1 0 83 {152.HD2#} 0.722 0.050 0.050 {152.CD2} 25.632 0.050 0.050 {152.HB2} 1.497 0.050 0.050 11499965.50000 628289.00000 1 0 84 {152.HD2#} 0.723 0.050 0.050 {152.CD2} 25.590 0.050 0.050 {155.HB#} 1.389 0.050 0.050 2565294.00000 174976.50000 1 0 86 {152.HB1} 1.850 0.050 0.050 {152.CB} 42.132 0.050 0.050 {152.HA} 4.022 0.050 0.050 2117673.00000 104632.50000 1 0 87 {152.HB1} 1.854 0.050 0.050 {152.CB} 41.992 0.050 0.050 {149.HA} 3.929 0.050 0.050 2463637.50000 125851.00000 1 0 88 {152.HB1} 1.853 0.050 0.050 {152.CB} 42.044 0.050 0.050 {156.HB#} 3.819 0.050 0.050 2331081.50000 80015.00000 1 0 89 {152.HB2} 1.499 0.050 0.050 {152.CB} 42.101 0.050 0.050 {152.HB1} 1.855 0.050 0.050 6708798.50000 324852.00000 1 0 90 {152.HA} 4.032 0.050 0.050 {152.CA} 57.374 0.050 0.050 {152.HD1#} 0.706 0.050 0.050 7003654.50000 342314.50000 1 0 91 {152.HA} 4.030 0.050 0.050 {152.CA} 57.427 0.050 0.050 {155.HB#} 1.413 0.050 0.050 2769208.00000 140143.00000 1 0 92 {152.HA} 4.029 0.050 0.050 {152.CA} 57.385 0.050 0.050 {152.HB2} 1.522 0.050 0.050 2405487.50000 124907.00000 1 0 93 {152.HA} 4.027 0.050 0.050 {152.CA} 57.436 0.050 0.050 {152.HB1} 1.838 0.050 0.050 2119182.50000 102174.50000 1 0 94 {151.HG2#} 1.191 0.050 0.050 {151.CG2} 21.866 0.050 0.050 {151.HA} 3.818 0.050 0.050 12970260.50000 811101.00000 1 0 95 {151.HG2#} 1.191 0.050 0.050 {151.CG2} 21.909 0.050 0.050 {152.HA} 4.031 0.050 0.050 2000221.00000 133630.00000 1 0 96 {151.HG2#} 1.192 0.050 0.050 {151.CG2} 21.859 0.050 0.050 {151.HB} 4.383 0.050 0.050 25870293.50000 1621382.00000 1 0 97 {151.HG2#} 1.191 0.050 0.050 {151.CG2} 21.909 0.050 0.050 {154.HB} 1.988 0.050 0.050 2107791.00000 98879.00000 1 0 98 {151.HB} 4.383 0.050 0.050 {151.CB} 68.390 0.050 0.050 {148.HA} 4.173 0.050 0.050 3388704.50000 171616.00000 1 0 99 {151.HB} 4.384 0.050 0.050 {151.CB} 68.481 0.050 0.050 {151.HA} 3.829 0.050 0.050 3880918.00000 204103.00000 1 0 100 {151.HB} 4.383 0.050 0.050 {151.CB} 68.465 0.050 0.050 {151.HG2#} 1.189 0.050 0.050 15343439.50000 812697.00000 1 0 101 {151.HB} 4.381 0.050 0.050 {151.CB} 68.490 0.050 0.050 {152.HD2#} 0.723 0.050 0.050 1254931.00000 87142.50000 1 0 102 {151.HA} 3.822 0.050 0.050 {151.CA} 66.224 0.050 0.050 {151.HB} 4.382 0.050 0.050 3730149.50000 202327.00000 1 0 103 {151.HA} 3.820 0.050 0.050 {151.CA} 66.209 0.050 0.050 {154.HB} 1.992 0.050 0.050 2457845.00000 139751.50000 1 0 104 {151.HA} 3.821 0.050 0.050 {151.CA} 66.215 0.050 0.050 {151.HG2#} 1.189 0.050 0.050 7074008.00000 376112.50000 1 0 105 {151.HA} 3.818 0.050 0.050 {151.CA} 66.167 0.050 0.050 {154.HG2#} 0.817 0.050 0.050 3776832.00000 202520.00000 1 0 108 {150.HA} 4.150 0.050 0.050 {150.CA} 60.465 0.050 0.050 {150.HB1} 3.213 0.050 0.050 4615373.50000 240930.50000 1 0 109 {150.HA} 4.145 0.050 0.050 {150.CA} 60.475 0.050 0.050 {153.HB} 2.136 0.050 0.050 3311275.50000 174970.50000 1 0 110 {150.HA} 4.146 0.050 0.050 {150.CA} 60.467 0.050 0.050 {153.HG2#} 0.948 0.050 0.050 2501907.50000 119113.00000 1 0 111 {149.HD2#} 0.869 0.050 0.050 {149.CD2} 27.859 0.050 0.050 {146.HA} 3.823 0.050 0.050 3032055.50000 173682.00000 1 0 112 {149.HD2#} 0.868 0.050 0.050 {149.CD2} 27.858 0.050 0.050 {149.HA} 3.932 0.050 0.050 3012425.00000 165947.00000 1 0 113 {149.HD2#} 0.868 0.050 0.050 {149.CD2} 27.895 0.050 0.050 {149.HB1} 1.857 0.050 0.050 5757055.00000 308072.50000 1 0 114 {149.HD2#} 0.868 0.050 0.050 {149.CD2} 27.884 0.050 0.050 {149.HG} 1.722 0.050 0.050 9104075.00000 511536.50000 1 0 115 {149.HB1} 1.883 0.050 0.050 {149.CB} 42.099 0.050 0.050 {149.HA} 3.936 0.050 0.050 2205638.50000 108012.00000 1 0 116 {149.HB1} 1.876 0.050 0.050 {149.CB} 41.981 0.050 0.050 {149.HD2#} 0.867 0.050 0.050 5099959.00000 246353.00000 1 0 117 {149.HA} 3.933 0.050 0.050 {149.CA} 57.935 0.050 0.050 {149.HB2} 1.495 0.050 0.050 2503373.00000 125608.00000 1 0 118 {149.HA} 3.938 0.050 0.050 {149.CA} 57.941 0.050 0.050 {149.HD1#} 0.739 0.050 0.050 7555004.50000 351611.50000 1 0 119 {149.HA} 3.938 0.050 0.050 {149.CA} 57.941 0.050 0.050 {149.HB1} 1.876 0.050 0.050 2795524.50000 115410.50000 1 0 120 {148.HG2} 2.719 0.050 0.050 {148.CG} 33.033 0.050 0.050 {148.HE#} 1.815 0.050 0.050 1906431.50000 85862.50000 1 0 121 {148.HG2} 2.716 0.050 0.050 {148.CG} 33.109 0.050 0.050 {148.HG1} 2.472 0.050 0.050 6194698.50000 305596.00000 1 0 122 {148.HG2} 2.722 0.050 0.050 {148.CG} 33.077 0.050 0.050 {148.HA} 4.185 0.050 0.050 1689390.00000 84261.50000 1 0 123 {148.HG1} 2.470 0.050 0.050 {148.CG} 33.066 0.050 0.050 {148.HA} 4.187 0.050 0.050 2198305.50000 115244.00000 1 0 124 {148.HG1} 2.465 0.050 0.050 {148.CG} 33.101 0.050 0.050 {148.HG2} 2.720 0.050 0.050 6702683.50000 339234.00000 1 0 125 {148.HG1} 2.466 0.050 0.050 {148.CG} 33.149 0.050 0.050 {148.HB2} 2.197 0.050 0.050 1482798.50000 90467.00000 1 0 127 {148.HE#} 1.814 0.050 0.050 {148.CE} 17.600 0.050 0.050 {148.HG2} 2.697 0.050 0.050 5458246.50000 366051.50000 1 0 129 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.620 0.050 0.050 {145.HA} 3.397 0.050 0.050 4323002.50000 286917.00000 1 0 130 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.600 0.050 0.050 {144.HA} 4.049 0.050 0.050 3206700.50000 230401.00000 1 0 131 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.602 0.050 0.050 {148.HA} 4.178 0.050 0.050 13321196.00000 581366.50000 1 0 132 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.527 0.050 0.050 {151.HB} 4.389 0.050 0.050 1523013.00000 89391.50000 1 0 133 {148.HA} 4.175 0.050 0.050 {148.CA} 59.189 0.050 0.050 {148.HG1} 2.463 0.050 0.050 2508902.00000 129126.00000 1 0 134 {148.HA} 4.181 0.050 0.050 {148.CA} 59.188 0.050 0.050 {148.HG2} 2.715 0.050 0.050 1807319.00000 91934.00000 1 0 135 {148.HA} 4.175 0.050 0.050 {148.CA} 59.173 0.050 0.050 {151.HG2#} 1.194 0.050 0.050 1652640.00000 83746.00000 1 0 136 {146.HG} 1.524 0.050 0.050 {146.CG} 27.951 0.050 0.050 {146.HA} 3.828 0.050 0.050 1951928.00000 111299.00000 1 0 137 {146.HG} 1.520 0.050 0.050 {146.CG} 27.866 0.050 0.050 {146.HD#} 0.857 0.050 0.050 8930703.50000 452254.00000 1 0 138 {146.HD#} 0.856 0.050 0.050 {146.CD2} 25.075 0.050 0.050 {146.HA} 3.827 0.050 0.050 12784601.00000 713431.50000 1 0 139 {146.HD#} 0.856 0.050 0.050 {146.CD2} 25.133 0.050 0.050 {142.HA} 3.946 0.050 0.050 3688533.50000 248853.50000 1 0 140 {146.HD#} 0.858 0.050 0.050 {146.CD2} 24.977 0.050 0.050 {143.HB2} 4.038 0.050 0.050 4303297.50000 269742.00000 1 0 141 {146.HD#} 0.858 0.050 0.050 {146.CD2} 25.045 0.050 0.050 {143.HA} 4.166 0.050 0.050 9751826.00000 533553.00000 1 0 142 {146.HB1} 1.830 0.050 0.050 {146.CB} 41.908 0.050 0.050 {143.HA} 4.170 0.050 0.050 1495694.50000 77683.00000 1 0 143 {146.HB2} 1.529 0.050 0.050 {146.CB} 41.913 0.050 0.050 {146.HD#} 0.854 0.050 0.050 6827807.00000 347849.50000 1 0 144 {146.HB2} 1.530 0.050 0.050 {146.CB} 41.936 0.050 0.050 {146.HB1} 1.837 0.050 0.050 7520153.50000 373598.50000 1 0 145 {146.HB2} 1.534 0.050 0.050 {146.CB} 41.908 0.050 0.050 {146.HA} 3.837 0.050 0.050 2295853.50000 127155.00000 1 0 146 {146.HA} 3.820 0.050 0.050 {146.CA} 58.815 0.050 0.050 {146.HD#} 0.853 0.050 0.050 7473662.00000 370707.00000 1 0 147 {146.HA} 3.822 0.050 0.050 {146.CA} 58.815 0.050 0.050 {146.HB1} 1.835 0.050 0.050 2351702.50000 115772.00000 1 0 148 {145.HG2#} 0.748 0.050 0.050 {145.CG2} 16.742 0.050 0.050 {146.HG} 1.513 0.050 0.050 2958126.00000 153470.00000 1 0 149 {145.HG2#} 0.750 0.050 0.050 {145.CG2} 16.697 0.050 0.050 {145.HB} 2.003 0.050 0.050 6437907.00000 358461.50000 1 0 150 {145.HG2#} 0.747 0.050 0.050 {145.CG2} 16.693 0.050 0.050 {145.HA} 3.408 0.050 0.050 4436784.00000 243702.50000 1 0 151 {145.HG2#} 0.752 0.050 0.050 {145.CG2} 16.667 0.050 0.050 {146.HA} 3.831 0.050 0.050 1538304.50000 91796.00000 1 0 152 {145.HG2#} 0.749 0.050 0.050 {145.CG2} 16.664 0.050 0.050 {142.HA} 3.971 0.050 0.050 2600010.00000 141001.50000 1 0 153 {145.HD1#} 0.820 0.050 0.050 {145.CD1} 15.337 0.050 0.050 {145.HA} 3.409 0.050 0.050 2070188.00000 104151.00000 1 0 154 {144.HG1} 2.369 0.050 0.050 {144.CG} 36.171 0.050 0.050 {144.HB2} 2.192 0.050 0.050 12575928.00000 602034.50000 1 0 155 {144.HG1} 2.371 0.050 0.050 {144.CG} 36.180 0.050 0.050 {144.HA} 4.047 0.050 0.050 5457288.00000 292223.00000 1 0 156 {144.HG1} 2.373 0.050 0.050 {144.CG} 36.148 0.050 0.050 {141.HA} 4.156 0.050 0.050 2217672.50000 121140.50000 1 0 157 {144.HG2} 2.116 0.050 0.050 {144.CG} 36.166 0.050 0.050 {144.HG1} 2.368 0.050 0.050 14467757.00000 818050.00000 1 0 158 {140.HG1} 2.227 0.050 0.050 {140.CG} 36.183 0.050 0.050 {137.HA} 4.131 0.050 0.050 2563954.00000 161651.50000 1 0 159 {140.HG1} 2.228 0.050 0.050 {140.CG} 36.162 0.050 0.050 {140.HA} 4.040 0.050 0.050 6430695.00000 372164.00000 1 0 160 {144.HG2} 2.125 0.050 0.050 {144.CG} 36.126 0.050 0.050 {148.HE#} 1.812 0.050 0.050 1818391.50000 91844.50000 1 0 161 {144.HG2} 2.116 0.050 0.050 {144.CG} 36.161 0.050 0.050 {144.HA} 4.047 0.050 0.050 3307501.50000 181261.00000 1 0 162 {144.HB2} 2.186 0.050 0.050 {144.CB} 29.629 0.050 0.050 {144.HA} 4.047 0.050 0.050 7387441.00000 393799.00000 1 0 163 {140.HB2} 2.225 0.050 0.050 {140.CB} 29.477 0.050 0.050 {141.HA} 4.164 0.050 0.050 3465067.00000 110305.00000 1 0 164 {142.HD2#} 0.947 0.050 0.050 {142.CD2} 28.923 0.050 0.050 {139.HA} 4.210 0.050 0.050 3643935.00000 204846.50000 1 0 165 {142.HD2#} 0.950 0.050 0.050 {142.CD2} 28.935 0.050 0.050 {142.HA} 3.967 0.050 0.050 1871382.00000 111657.00000 1 0 166 {142.HD2#} 0.947 0.050 0.050 {142.CD2} 28.960 0.050 0.050 {138.HA} 3.503 0.050 0.050 2818158.50000 155204.00000 1 0 167 {142.HD1#} 0.686 0.050 0.050 {142.CD1} 24.378 0.050 0.050 {142.HA} 3.979 0.050 0.050 5546543.00000 316494.50000 1 0 168 {141.HE2} 2.839 0.050 0.050 {141.CE} 41.879 0.050 0.050 {141.HG1} 1.434 0.050 0.050 4660051.50000 186765.00000 1 0 170 {141.HE2} 2.840 0.050 0.050 {141.CE} 41.923 0.050 0.050 {141.HA} 4.167 0.050 0.050 1431024.00000 78615.50000 1 0 171 {141.HE1} 2.774 0.050 0.050 {141.CE} 41.882 0.050 0.050 {141.HD2} 1.537 0.050 0.050 5383688.00000 281712.00000 1 0 172 {141.HE1} 2.776 0.050 0.050 {141.CE} 41.848 0.050 0.050 {141.HG2} 1.750 0.050 0.050 4313474.00000 230302.50000 1 0 173 {141.HE1} 2.772 0.050 0.050 {141.CE} 41.835 0.050 0.050 {137.HB2} 1.958 0.050 0.050 1003459.00000 62465.00000 1 0 174 {141.HE1} 2.771 0.050 0.050 {141.CE} 41.719 0.050 0.050 {141.HA} 4.174 0.050 0.050 1531912.00000 81687.00000 1 0 175 {141.HD2} 1.533 0.050 0.050 {141.CD} 29.447 0.050 0.050 {141.HE1} 2.774 0.050 0.050 1965773.50000 71061.00000 1 0 179 {141.HA} 4.176 0.050 0.050 {141.CA} 59.431 0.050 0.050 {141.HG1} 1.452 0.050 0.050 2115112.50000 113302.50000 1 0 180 {140.HG2} 2.414 0.050 0.050 {140.CG} 36.185 0.050 0.050 {137.HA} 4.131 0.050 0.050 2144786.50000 122602.00000 1 0 181 {140.HG2} 2.410 0.050 0.050 {140.CG} 36.156 0.050 0.050 {140.HA} 4.039 0.050 0.050 4236269.00000 249484.00000 1 0 182 {140.HG2} 2.414 0.050 0.050 {140.CG} 36.185 0.050 0.050 {140.HB1} 2.089 0.050 0.050 7146860.50000 337472.50000 1 0 183 {140.HB2} 2.225 0.050 0.050 {140.CB} 29.477 0.050 0.050 {140.HA} 4.037 0.050 0.050 7045324.00000 338274.50000 1 0 184 {140.HB2} 2.225 0.050 0.050 {140.CB} 29.477 0.050 0.050 {137.HA} 4.131 0.050 0.050 3760315.50000 165708.00000 1 0 185 {140.HB1} 2.094 0.050 0.050 {140.CB} 29.498 0.050 0.050 {137.HA} 4.131 0.050 0.050 2661546.00000 130972.50000 1 0 186 {138.HG2#} 0.815 0.050 0.050 {138.CG2} 16.306 0.050 0.050 {138.HA} 3.497 0.050 0.050 3528926.50000 188200.50000 1 0 187 {138.HG2#} 0.813 0.050 0.050 {138.CG2} 16.368 0.050 0.050 {139.HA} 4.216 0.050 0.050 1743299.50000 89422.00000 1 0 188 {138.HD1#} 0.801 0.050 0.050 {138.CD1} 14.556 0.050 0.050 {138.HA} 3.494 0.050 0.050 2087344.50000 89271.00000 1 0 189 {138.HD1#} 0.808 0.050 0.050 {138.CD1} 14.752 0.050 0.050 {135.HA} 3.967 0.050 0.050 3915414.00000 181941.50000 1 0 190 {137.HG#} 1.751 0.050 0.050 {137.CG} 26.930 0.050 0.050 {137.HA} 4.123 0.050 0.050 5393054.50000 299422.50000 1 0 191 {137.HG#} 1.763 0.050 0.050 {137.CG} 26.953 0.050 0.050 {138.HA} 3.505 0.050 0.050 865877.00000 68582.00000 1 0 192 {137.HG#} 1.751 0.050 0.050 {137.CG} 26.995 0.050 0.050 {137.HD2} 3.167 0.050 0.050 9185716.50000 424496.00000 1 0 193 {137.HD1} 3.225 0.050 0.050 {137.CD} 43.618 0.050 0.050 {137.HA} 4.127 0.050 0.050 1503854.00000 84893.00000 1 0 194 {137.HD1} 3.226 0.050 0.050 {137.CD} 43.589 0.050 0.050 {137.HB2} 1.980 0.050 0.050 2365828.50000 122909.00000 1 0 195 {137.HD1} 3.227 0.050 0.050 {137.CD} 43.596 0.050 0.050 {137.HG#} 1.754 0.050 0.050 10858079.50000 594787.50000 1 0 196 {137.HD2} 3.168 0.050 0.050 {137.CD} 43.577 0.050 0.050 {137.HG#} 1.759 0.050 0.050 10805969.50000 571000.00000 1 0 197 {137.HD2} 3.168 0.050 0.050 {137.CD} 43.719 0.050 0.050 {137.HB2} 1.982 0.050 0.050 2360723.50000 117831.50000 1 0 198 {137.HB2} 1.978 0.050 0.050 {137.CB} 30.555 0.050 0.050 {134.HA} 3.941 0.050 0.050 1239913.50000 56605.50000 1 0 200 {137.HB2} 1.982 0.050 0.050 {137.CB} 30.458 0.050 0.050 {137.HG#} 1.756 0.050 0.050 6249555.50000 300076.00000 1 0 201 {137.HB1} 1.907 0.050 0.050 {137.CB} 30.460 0.050 0.050 {137.HG#} 1.754 0.050 0.050 6971438.50000 329008.00000 1 0 202 {137.HB1} 1.910 0.050 0.050 {137.CB} 30.397 0.050 0.050 {134.HA} 3.952 0.050 0.050 1641440.00000 80956.00000 1 0 203 {137.HB1} 1.915 0.050 0.050 {137.CB} 30.498 0.050 0.050 {137.HA} 4.132 0.050 0.050 1941720.50000 96615.50000 1 0 204 {137.HA} 4.127 0.050 0.050 {137.CA} 59.171 0.050 0.050 {137.HD2} 3.183 0.050 0.050 1414985.00000 75893.50000 1 0 205 {137.HA} 4.127 0.050 0.050 {137.CA} 59.115 0.050 0.050 {137.HB2} 1.977 0.050 0.050 3246954.50000 171406.50000 1 0 206 {137.HA} 4.131 0.050 0.050 {137.CA} 59.086 0.050 0.050 {137.HB1} 1.910 0.050 0.050 3055030.50000 137899.00000 1 0 207 {136.HA} 4.214 0.050 0.050 {136.CA} 57.769 0.050 0.050 {136.HB1} 2.636 0.050 0.050 3195946.00000 141282.50000 1 0 208 {136.HA} 4.215 0.050 0.050 {136.CA} 57.719 0.050 0.050 {136.HB2} 2.820 0.050 0.050 1921974.00000 90726.00000 1 0 209 {135.HD2#} 0.715 0.050 0.050 {135.CD2} 27.218 0.050 0.050 {132.HA} 3.540 0.050 0.050 3055549.00000 173133.50000 1 0 210 {135.HD2#} 0.718 0.050 0.050 {135.CD2} 27.174 0.050 0.050 {135.HA} 3.971 0.050 0.050 2557442.50000 158862.50000 1 0 211 {135.HD2#} 0.716 0.050 0.050 {135.CD2} 27.115 0.050 0.050 {135.HB2} 1.202 0.050 0.050 3341760.50000 180214.00000 1 0 212 {135.HD1#} 0.604 0.050 0.050 {135.CD1} 22.752 0.050 0.050 {135.HA} 3.968 0.050 0.050 6099889.50000 349090.50000 1 0 213 {135.HD1#} 0.602 0.050 0.050 {135.CD1} 22.865 0.050 0.050 {132.HA} 3.557 0.050 0.050 1332735.50000 80930.50000 1 0 214 {135.HD1#} 0.602 0.050 0.050 {135.CD1} 22.725 0.050 0.050 {135.HB2} 1.184 0.050 0.050 3304192.00000 188106.00000 1 0 217 {134.HA} 3.948 0.050 0.050 {134.CA} 58.238 0.050 0.050 {134.HD#} 3.091 0.050 0.050 1970544.50000 108243.50000 1 0 218 {133.HB#} 1.410 0.050 0.050 {133.CB} 18.160 0.050 0.050 {131.HA} 3.602 0.050 0.050 1510647.50000 122961.50000 1 0 219 {133.HB#} 1.407 0.050 0.050 {133.CB} 17.896 0.050 0.050 {130.HA} 4.522 0.050 0.050 4258537.00000 388919.50000 1 0 220 {133.HA} 4.121 0.050 0.050 {133.CA} 55.069 0.050 0.050 {136.HB1} 2.650 0.050 0.050 1691878.50000 87642.00000 1 0 221 {133.HA} 4.118 0.050 0.050 {133.CA} 54.990 0.050 0.050 {133.HB#} 1.402 0.050 0.050 10888358.00000 576687.50000 1 0 222 {132.HG2#} 1.105 0.050 0.050 {132.CG2} 22.346 0.050 0.050 {132.HB} 4.070 0.050 0.050 21249591.00000 1215529.50000 1 0 223 {132.HG2#} 1.105 0.050 0.050 {132.CG2} 22.359 0.050 0.050 {132.HA} 3.535 0.050 0.050 9710903.00000 548929.50000 1 0 224 {132.HG2#} 1.105 0.050 0.050 {132.CG2} 22.353 0.050 0.050 {136.HB1} 2.636 0.050 0.050 1436070.00000 97258.00000 1 0 225 {132.HB} 4.071 0.050 0.050 {132.CB} 67.622 0.050 0.050 {132.HG2#} 1.103 0.050 0.050 7259492.00000 403157.00000 1 0 226 {132.HB} 4.070 0.050 0.050 {132.CB} 67.565 0.050 0.050 {132.HA} 3.543 0.050 0.050 2399220.00000 116231.50000 1 0 227 {132.HA} 3.536 0.050 0.050 {132.CA} 67.295 0.050 0.050 {132.HG2#} 1.105 0.050 0.050 2429501.50000 123105.50000 1 0 228 {132.HA} 3.541 0.050 0.050 {132.CA} 67.405 0.050 0.050 {132.HB} 4.067 0.050 0.050 1835831.50000 86729.50000 1 0 229 {131.HG2#} 0.776 0.050 0.050 {131.CG2} 17.124 0.050 0.050 {131.HB} 1.887 0.050 0.050 15536855.00000 880579.50000 1 0 230 {131.HG2#} 0.776 0.050 0.050 {131.CG2} 17.123 0.050 0.050 {131.HG11} 1.572 0.050 0.050 6202687.50000 358807.50000 1 0 231 {131.HG2#} 0.775 0.050 0.050 {131.CG2} 17.129 0.050 0.050 {131.HA} 3.611 0.050 0.050 6831993.00000 410441.50000 1 0 232 {131.HG11} 1.569 0.050 0.050 {131.CG1} 29.056 0.050 0.050 {131.HA} 3.609 0.050 0.050 1721379.50000 90785.00000 1 0 233 {131.HG11} 1.569 0.050 0.050 {131.CG1} 29.129 0.050 0.050 {131.HB} 1.894 0.050 0.050 2622030.00000 139990.00000 1 0 234 {131.HG11} 1.566 0.050 0.050 {131.CG1} 29.106 0.050 0.050 {131.HG12} 0.979 0.050 0.050 9772992.50000 488186.50000 1 0 235 {131.HG12} 0.981 0.050 0.050 {131.CG1} 29.125 0.050 0.050 {131.HA} 3.613 0.050 0.050 2093046.50000 114084.00000 1 0 236 {131.HG12} 0.982 0.050 0.050 {131.CG1} 29.094 0.050 0.050 {131.HG11} 1.570 0.050 0.050 8308873.00000 411781.50000 1 0 237 {131.HD1#} 0.793 0.050 0.050 {131.CD1} 13.148 0.050 0.050 {134.HA} 3.934 0.050 0.050 792706.50000 60730.00000 1 0 238 {131.HD1#} 0.798 0.050 0.050 {131.CD1} 13.151 0.050 0.050 {131.HA} 3.616 0.050 0.050 5065371.00000 279607.50000 1 0 239 {131.HD1#} 0.798 0.050 0.050 {131.CD1} 13.120 0.050 0.050 {131.HB} 1.894 0.050 0.050 11625976.00000 673293.50000 1 0 240 {131.HD1#} 0.797 0.050 0.050 {131.CD1} 13.144 0.050 0.050 {131.HG11} 1.569 0.050 0.050 16251889.00000 939842.50000 1 0 241 {131.HB} 1.892 0.050 0.050 {131.CB} 37.726 0.050 0.050 {131.HA} 3.608 0.050 0.050 2539237.50000 128651.00000 1 0 242 {131.HB} 1.897 0.050 0.050 {131.CB} 37.688 0.050 0.050 {131.HG11} 1.571 0.050 0.050 2568606.00000 136441.50000 1 0 243 {131.HB} 1.900 0.050 0.050 {131.CB} 37.639 0.050 0.050 {131.HG12} 0.981 0.050 0.050 1934789.00000 101219.50000 1 0 244 {131.HA} 3.615 0.050 0.050 {131.CA} 64.670 0.050 0.050 {131.HB} 1.902 0.050 0.050 2454911.50000 140067.00000 1 0 245 {131.HA} 3.617 0.050 0.050 {131.CA} 64.853 0.050 0.050 {131.HG12} 0.980 0.050 0.050 1458960.00000 57988.00000 1 0 246 {130.HB1} 2.852 0.050 0.050 {130.CB} 38.384 0.050 0.050 {130.HA} 4.538 0.050 0.050 4510931.00000 247213.50000 1 0 247 {130.HB1} 2.843 0.050 0.050 {130.CB} 38.422 0.050 0.050 {133.HB#} 1.399 0.050 0.050 1412302.50000 76481.50000 1 0 248 {130.HA} 4.539 0.050 0.050 {130.CA} 54.342 0.050 0.050 {133.HB#} 1.403 0.050 0.050 3968952.00000 216005.50000 1 0 249 {130.HA} 4.539 0.050 0.050 {130.CA} 54.329 0.050 0.050 {130.HB2} 2.789 0.050 0.050 5903793.00000 293025.50000 1 0 250 {129.HB1} 2.626 0.050 0.050 {129.CB} 40.742 0.050 0.050 {129.HA} 4.485 0.050 0.050 7680579.50000 359088.00000 1 0 251 {129.HA} 4.482 0.050 0.050 {129.CA} 55.048 0.050 0.050 {129.HB#} 2.620 0.050 0.050 13884400.50000 736751.50000 1 0 253 {129.HA} 4.481 0.050 0.050 {129.CA} 55.055 0.050 0.050 {132.HB} 4.071 0.050 0.050 2896688.50000 149941.50000 1 0 254 {130.HB2} 2.783 0.050 0.050 {130.CB} 38.376 0.050 0.050 {133.HB#} 1.404 0.050 0.050 1092487.50000 60642.00000 1 0 256 {130.HB2} 2.787 0.050 0.050 {130.CB} 38.370 0.050 0.050 {130.HA} 4.531 0.050 0.050 4962483.50000 267068.50000 1 0 258 {128.HB2} 2.753 0.050 0.050 {128.CB} 38.570 0.050 0.050 {128.HA} 4.596 0.050 0.050 6728085.50000 363042.50000 1 0 259 {128.HB1} 2.700 0.050 0.050 {128.CB} 38.522 0.050 0.050 {128.HA} 4.597 0.050 0.050 6690450.50000 353187.50000 1 0 260 {128.HA} 4.595 0.050 0.050 {128.CA} 53.921 0.050 0.050 {128.HB1} 2.701 0.050 0.050 10899888.00000 506166.50000 1 0 261 {128.HA} 4.598 0.050 0.050 {128.CA} 53.923 0.050 0.050 {131.HB} 1.893 0.050 0.050 3430319.00000 197696.50000 1 0 265 {127.HA} 4.259 0.050 0.050 {127.CA} 62.398 0.050 0.050 {130.HB1} 2.854 0.050 0.050 1299243.00000 88039.50000 1 0 266 {127.HA} 4.259 0.050 0.050 {127.CA} 62.398 0.050 0.050 {131.HD1#} 0.797 0.050 0.050 1051070.50000 60496.50000 1 0 267 {152.HD2#} 0.721 0.050 0.050 {152.CD2} 25.640 0.050 0.050 {152.HG} 1.699 0.050 0.050 14961941.00000 811845.00000 1 0 268 {149.HD1#} 0.742 0.050 0.050 {149.CD1} 25.641 0.050 0.050 {146.HA} 3.821 0.050 0.050 3227540.00000 169529.50000 1 0 269 {152.HD2#} 0.722 0.050 0.050 {152.CD2} 25.700 0.050 0.050 {156.HB#} 3.823 0.050 0.050 3289052.50000 193088.00000 1 0 270 {152.HD2#} 0.726 0.050 0.050 {152.CD2} 25.635 0.050 0.050 {149.HA} 3.933 0.050 0.050 9184169.00000 550102.50000 1 0 271 {149.HD1#} 0.742 0.050 0.050 {149.CD1} 25.641 0.050 0.050 {149.HA} 3.938 0.050 0.050 12326823.50000 739027.50000 1 0 272 {152.HD2#} 0.724 0.050 0.050 {152.CD2} 25.619 0.050 0.050 {152.HA} 4.013 0.050 0.050 4695597.00000 287418.00000 1 0 273 {141.HG2} 1.755 0.050 0.050 {141.CG} 26.109 0.050 0.050 {141.HG1} 1.442 0.050 0.050 4161811.00000 188659.50000 1 0 275 {141.HD1} 1.476 0.050 0.050 {141.CD} 29.423 0.050 0.050 {141.HE2} 2.841 0.050 0.050 1759189.50000 93923.00000 1 0 277 {141.HD1} 1.472 0.050 0.050 {141.CD} 29.434 0.050 0.050 {141.HA} 4.149 0.050 0.050 935117.00000 58802.00000 1 0 278 {143.HA} 4.171 0.050 0.050 {143.CA} 62.352 0.050 0.050 {143.HB1} 3.911 0.050 0.050 2461878.50000 132144.00000 1 0 279 {149.HB2} 1.484 0.050 0.050 {149.CB} 41.962 0.050 0.050 {149.HD2#} 0.851 0.050 0.050 3714363.00000 178454.50000 1 0 280 {146.HB1} 1.842 0.050 0.050 {146.CB} 41.937 0.050 0.050 {146.HD#} 0.847 0.050 0.050 7075649.00000 367707.50000 1 0 281 {159.HD2} 3.595 0.050 0.050 {159.CD} 49.791 0.050 0.050 {159.HG#} 1.963 0.050 0.050 16528477.00000 883228.50000 1 0 282 {154.HB} 1.994 0.050 0.050 {154.CB} 31.630 0.050 0.050 {151.HA} 3.818 0.050 0.050 2559717.00000 107101.50000 1 0 283 {153.HG2#} 0.948 0.050 0.050 {153.CG2} 22.837 0.050 0.050 {150.HA} 4.161 0.050 0.050 6399861.50000 355808.00000 1 0 284 {142.HA} 3.986 0.050 0.050 {142.CA} 58.201 0.050 0.050 {142.HG} 1.960 0.050 0.050 4192875.00000 125327.00000 1 0 285 {141.HE2} 2.839 0.050 0.050 {141.CE} 41.879 0.050 0.050 {141.HD2} 1.537 0.050 0.050 5308561.50000 268975.50000 1 0 286 {141.HE1} 2.774 0.050 0.050 {141.CE} 41.882 0.050 0.050 {141.HG1} 1.434 0.050 0.050 4463972.00000 200721.00000 1 0 287 {138.HD1#} 0.812 0.050 0.050 {138.CD1} 14.964 0.050 0.050 {138.HB} 1.967 0.050 0.050 6705406.50000 293495.00000 1 0 288 {149.HD1#} 0.740 0.050 0.050 {149.CD1} 25.659 0.050 0.050 {149.HB2} 1.493 0.050 0.050 10190764.50000 517714.50000 1 0 289 {146.HD#} 0.857 0.050 0.050 {146.CD2} 25.054 0.050 0.050 {146.HG} 1.522 0.050 0.050 37611175.00000 2051660.00000 1 0 290 {146.HD#} 0.857 0.050 0.050 {146.CD2} 25.062 0.050 0.050 {146.HB1} 1.827 0.050 0.050 24231746.50000 1340751.00000 1 0 291 {146.HB2} 1.531 0.050 0.050 {146.CB} 41.910 0.050 0.050 {143.HA} 4.169 0.050 0.050 1306390.50000 67152.50000 1 0 292 {146.HA} 3.821 0.050 0.050 {146.CA} 58.844 0.050 0.050 {145.HG2#} 0.750 0.050 0.050 2406662.00000 109805.00000 1 0 293 {146.HA} 3.826 0.050 0.050 {146.CA} 58.791 0.050 0.050 {146.HG} 1.517 0.050 0.050 3749574.00000 183473.50000 1 0 294 {145.HG2#} 0.748 0.050 0.050 {145.CG2} 16.718 0.050 0.050 {146.HB1} 1.834 0.050 0.050 3008774.00000 162087.50000 1 0 296 {145.HA} 3.409 0.050 0.050 {145.CA} 65.758 0.050 0.050 {145.HG2#} 0.758 0.050 0.050 3198575.50000 153439.00000 1 0 297 {144.HG1} 2.369 0.050 0.050 {144.CG} 36.197 0.050 0.050 {148.HE#} 1.820 0.050 0.050 1432409.00000 79388.50000 1 0 298 {144.HB2} 2.185 0.050 0.050 {144.CB} 29.682 0.050 0.050 {148.HE#} 1.814 0.050 0.050 1234031.50000 80988.00000 1 0 299 {144.HB2} 2.180 0.050 0.050 {144.CB} 29.647 0.050 0.050 {141.HA} 4.151 0.050 0.050 3565752.00000 182523.00000 1 0 300 {140.HA} 4.037 0.050 0.050 {140.CA} 59.429 0.050 0.050 {140.HB1} 2.089 0.050 0.050 6263105.50000 258972.50000 1 0 301 {144.HA} 4.039 0.050 0.050 {144.CA} 59.409 0.050 0.050 {144.HB2} 2.205 0.050 0.050 12473276.00000 690168.00000 1 0 303 {143.HB1} 3.926 0.050 0.050 {143.CB} 62.357 0.050 0.050 {143.HA} 4.174 0.050 0.050 3698044.00000 201311.50000 1 0 304 {142.HD2#} 0.948 0.050 0.050 {142.CD2} 28.917 0.050 0.050 {142.HG} 1.960 0.050 0.050 7729717.50000 431730.00000 1 0 305 {142.HD1#} 0.687 0.050 0.050 {142.CD1} 24.397 0.050 0.050 {142.HG} 1.958 0.050 0.050 6970637.50000 386089.00000 1 0 307 {141.HE2} 2.839 0.050 0.050 {141.CE} 41.879 0.050 0.050 {141.HD1} 1.487 0.050 0.050 5769695.50000 316942.50000 1 0 308 {141.HE2} 2.839 0.050 0.050 {141.CE} 41.891 0.050 0.050 {141.HG2} 1.751 0.050 0.050 4285366.50000 243999.50000 1 0 309 {141.HE1} 2.774 0.050 0.050 {141.CE} 41.882 0.050 0.050 {141.HD1} 1.487 0.050 0.050 5426600.50000 283209.50000 1 0 310 {139.HA} 4.224 0.050 0.050 {139.CA} 58.151 0.050 0.050 {138.HG2#} 0.814 0.050 0.050 2033140.50000 104023.00000 1 0 311 {139.HA} 4.214 0.050 0.050 {139.CA} 58.110 0.050 0.050 {142.HD2#} 0.943 0.050 0.050 2437485.00000 118245.00000 1 0 312 {138.HB} 1.971 0.050 0.050 {138.CB} 38.178 0.050 0.050 {135.HA} 3.968 0.050 0.050 1284305.00000 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0.050 0.050 {152.CD1} 23.128 0.050 0.050 {152.HB2} 1.510 0.050 0.050 10416014.50000 614094.00000 1 0 325 {149.HD1#} 0.741 0.050 0.050 {149.CD1} 25.670 0.050 0.050 {148.HB2} 2.185 0.050 0.050 2628082.00000 143157.50000 1 0 326 {142.HD1#} 0.694 0.050 0.050 {142.CD1} 24.331 0.050 0.050 {146.HG} 1.509 0.050 0.050 1648258.50000 89012.50000 1 0 327 {148.HB2} 2.202 0.050 0.050 {148.CB} 34.254 0.050 0.050 {148.HE#} 1.815 0.050 0.050 1854918.50000 59808.00000 1 0 328 {148.HB2} 2.200 0.050 0.050 {148.CB} 34.254 0.050 0.050 {145.HG2#} 0.750 0.050 0.050 1151601.50000 62731.50000 1 0 330 {163.HG#} 1.530 0.050 0.050 {163.CG} 26.928 0.050 0.050 {162.HA} 4.254 0.050 0.050 590577.00000 61441.00000 1 0 331 {163.HD#} 3.111 0.050 0.050 {163.CD} 43.338 0.050 0.050 {163.HA} 4.082 0.050 0.050 675279.00000 73102.50000 1 0 332 {127.HG2#} 1.147 0.050 0.050 {127.CG2} 21.591 0.050 0.050 {127.HA} 4.263 0.050 0.050 15690419.00000 967983.00000 1 0 333 {127.HB} 4.198 0.050 0.050 {127.CB} 69.440 0.050 0.050 {127.HG2#} 1.149 0.050 0.050 29578545.00000 1696055.50000 1 0 334 {160.HA} 4.304 0.050 0.050 {160.CA} 61.896 0.050 0.050 {159.HB2} 1.930 0.050 0.050 478862.50000 63956.00000 1 0 335 {154.HG1#} 0.827 0.050 0.050 {154.CG1} 20.998 0.050 0.050 {157.HB#} 1.374 0.050 0.050 3467086.00000 173072.00000 1 0 336 {154.HG2#} 0.812 0.050 0.050 {154.CG2} 21.923 0.050 0.050 {150.HB2} 3.231 0.050 0.050 1174982.50000 95346.50000 1 0 337 {154.HG2#} 0.806 0.050 0.050 {154.CG2} 21.872 0.050 0.050 {150.HA} 4.146 0.050 0.050 1561343.50000 114732.00000 1 0 338 {154.HG2#} 0.815 0.050 0.050 {154.CG2} 21.932 0.050 0.050 {151.HB} 4.405 0.050 0.050 667762.00000 70426.00000 1 0 341 {152.HD2#} 0.721 0.050 0.050 {152.CD2} 25.464 0.050 0.050 {151.HG2#} 1.182 0.050 0.050 1890881.00000 128942.50000 1 0 342 {149.HB1} 1.875 0.050 0.050 {149.CB} 42.032 0.050 0.050 {149.HD1#} 0.741 0.050 0.050 4794777.50000 225151.00000 1 0 343 {138.HA} 3.495 0.050 0.050 {138.CA} 65.874 0.050 0.050 {138.HG2#} 0.816 0.050 0.050 3904058.50000 190297.00000 1 0 344 {162.HB#} 1.312 0.050 0.050 {162.CB} 19.163 0.050 0.050 {158.HA2} 4.057 0.050 0.050 702500.00000 116023.00000 1 0 345 {159.HA} 4.449 0.050 0.050 {159.CA} 63.488 0.050 0.050 {154.HG1#} 0.831 0.050 0.050 1202796.50000 73840.50000 1 0 347 {156.HB#} 3.815 0.050 0.050 {156.CB} 63.627 0.050 0.050 {153.HG1#} 0.859 0.050 0.050 320301.00000 96692.50000 1 0 349 {149.HD1#} 0.742 0.050 0.050 {149.CD1} 25.641 0.050 0.050 {145.HB} 2.006 0.050 0.050 1624134.00000 96619.00000 1 0 350 {152.HB1} 1.854 0.050 0.050 {152.CB} 42.059 0.050 0.050 {153.HG1#} 0.859 0.050 0.050 5536851.00000 222940.00000 1 0 351 {152.HB2} 1.501 0.050 0.050 {152.CB} 42.066 0.050 0.050 {153.HG1#} 0.859 0.050 0.050 3062039.50000 134359.50000 1 0 352 {152.HB2} 1.501 0.050 0.050 {152.CB} 42.116 0.050 0.050 {152.HA} 4.031 0.050 0.050 1687214.50000 73826.50000 1 0 353 {146.HB2} 1.540 0.050 0.050 {146.CB} 41.910 0.050 0.050 {143.HB2} 4.029 0.050 0.050 1237181.00000 62665.50000 1 0 355 {151.HB} 4.383 0.050 0.050 {151.CB} 68.390 0.050 0.050 {152.HA} 4.031 0.050 0.050 922991.50000 60255.50000 1 0 356 {150.HB2} 3.224 0.050 0.050 {150.CB} 29.283 0.050 0.050 {147.HA2} 3.938 0.050 0.050 1337583.00000 62615.00000 1 0 357 {150.HA} 4.154 0.050 0.050 {150.CA} 60.467 0.050 0.050 {153.HG1#} 0.858 0.050 0.050 2391473.00000 79707.50000 1 0 358 {149.HB2} 1.487 0.050 0.050 {149.CB} 41.978 0.050 0.050 {149.HD1#} 0.739 0.050 0.050 6266701.50000 289451.50000 1 0 359 {149.HB2} 1.487 0.050 0.050 {149.CB} 42.066 0.050 0.050 {149.HB1} 1.876 0.050 0.050 5946231.00000 268011.50000 1 0 360 {135.HA} 3.958 0.050 0.050 {135.CA} 57.947 0.050 0.050 {135.HD1#} 0.608 0.050 0.050 3065446.50000 147448.50000 1 0 362 {146.HB1} 1.841 0.050 0.050 {146.CB} 41.970 0.050 0.050 {146.HG} 1.526 0.050 0.050 11043795.50000 538468.00000 1 0 363 {146.HB2} 1.537 0.050 0.050 {146.CB} 41.972 0.050 0.050 {147.HA2} 3.940 0.050 0.050 964133.00000 58172.00000 1 0 365 {145.HB} 2.006 0.050 0.050 {145.CB} 38.098 0.050 0.050 {145.HD1#} 0.817 0.050 0.050 2975061.00000 120180.00000 1 0 366 {145.HB} 2.006 0.050 0.050 {145.CB} 38.215 0.050 0.050 {145.HG2#} 0.750 0.050 0.050 1786202.00000 73657.00000 1 0 367 {145.HA} 3.414 0.050 0.050 {145.CA} 65.837 0.050 0.050 {144.HB2} 2.192 0.050 0.050 1205892.50000 60634.00000 1 0 369 {145.HA} 3.420 0.050 0.050 {145.CA} 65.832 0.050 0.050 {148.HE#} 1.810 0.050 0.050 1299220.00000 68097.50000 1 0 374 {143.HA} 4.169 0.050 0.050 {143.CA} 62.354 0.050 0.050 {146.HD#} 0.857 0.050 0.050 1296206.00000 65273.00000 1 0 376 {142.HD2#} 0.946 0.050 0.050 {142.CD2} 28.945 0.050 0.050 {146.HG} 1.520 0.050 0.050 4308852.00000 172807.00000 1 0 378 {142.HA} 3.986 0.050 0.050 {142.CA} 58.201 0.050 0.050 {142.HD1#} 0.685 0.050 0.050 4691305.00000 141805.50000 1 0 379 {141.HG2} 1.750 0.050 0.050 {141.CG} 26.191 0.050 0.050 {141.HE1} 2.774 0.050 0.050 1338390.00000 57350.50000 1 0 384 {141.HA} 4.161 0.050 0.050 {141.CA} 59.455 0.050 0.050 {141.HD1} 1.486 0.050 0.050 1935869.50000 89767.00000 1 0 390 {138.HB} 1.978 0.050 0.050 {138.CB} 38.148 0.050 0.050 {138.HD1#} 0.807 0.050 0.050 3500280.00000 152761.50000 1 0 392 {137.HG#} 1.747 0.050 0.050 {137.CG} 27.125 0.050 0.050 {140.HB2} 2.227 0.050 0.050 1409184.50000 80642.50000 1 0 393 {137.HG#} 1.748 0.050 0.050 {137.CG} 26.987 0.050 0.050 {134.HA} 3.955 0.050 0.050 2151359.50000 82805.00000 1 0 394 {137.HD1} 3.236 0.050 0.050 {137.CD} 43.639 0.050 0.050 {141.HE2} 2.839 0.050 0.050 901552.00000 63646.50000 1 0 395 {137.HD1} 3.222 0.050 0.050 {137.CD} 43.646 0.050 0.050 {141.HE1} 2.763 0.050 0.050 862604.50000 58903.50000 1 0 398 {141.HA} 4.163 0.050 0.050 {141.CA} 59.253 0.050 0.050 {140.HB1} 2.088 0.050 0.050 2495596.50000 73440.50000 1 0 399 {136.HB2} 2.817 0.050 0.050 {136.CB} 39.352 0.050 0.050 {136.HB1} 2.624 0.050 0.050 2598458.00000 121847.00000 1 0 400 {136.HB2} 2.815 0.050 0.050 {136.CB} 39.348 0.050 0.050 {133.HA} 4.114 0.050 0.050 1386301.50000 71264.50000 1 0 401 {136.HB2} 2.816 0.050 0.050 {136.CB} 39.360 0.050 0.050 {136.HA} 4.219 0.050 0.050 1227382.50000 61353.00000 1 0 402 {136.HB1} 2.639 0.050 0.050 {136.CB} 39.423 0.050 0.050 {136.HB2} 2.823 0.050 0.050 2785699.50000 131553.50000 1 0 404 {136.HB1} 2.628 0.050 0.050 {136.CB} 39.483 0.050 0.050 {136.HA} 4.214 0.050 0.050 1650102.00000 88617.00000 1 0 406 {135.HA} 3.962 0.050 0.050 {135.CA} 57.801 0.050 0.050 {135.HD2#} 0.714 0.050 0.050 6319177.00000 289116.00000 1 0 407 {135.HA} 3.961 0.050 0.050 {135.CA} 57.801 0.050 0.050 {138.HD1#} 0.807 0.050 0.050 4875662.50000 208313.00000 1 0 409 {135.HA} 3.966 0.050 0.050 {135.CA} 58.127 0.050 0.050 {135.HB1} 1.966 0.050 0.050 4192875.00000 197660.50000 1 0 410 {137.HG#} 1.750 0.050 0.050 {137.CG} 27.132 0.050 0.050 {141.HG1} 1.438 0.050 0.050 2357136.00000 138207.00000 1 0 414 {133.HB#} 1.413 0.050 0.050 {133.CB} 18.194 0.050 0.050 {130.HB1} 2.854 0.050 0.050 1815704.00000 171919.00000 1 0 415 {131.HA} 3.608 0.050 0.050 {131.CA} 64.678 0.050 0.050 {131.HG11} 1.588 0.050 0.050 1606849.00000 81853.50000 1 0 416 {130.HA} 4.539 0.050 0.050 {130.CA} 54.329 0.050 0.050 {130.HB1} 2.855 0.050 0.050 4890846.50000 252406.50000 1 0 417 {127.HA} 4.260 0.050 0.050 {127.CA} 62.385 0.050 0.050 {127.HG2#} 1.145 0.050 0.050 17644890.50000 1049265.00000 1 0 418 {140.HG2} 2.407 0.050 0.050 {140.CG} 36.193 0.050 0.050 {136.HA} 4.225 0.050 0.050 849815.50000 57659.50000 1 0 423 {161.HB1} 3.797 0.050 0.050 {161.CB} 63.642 0.050 0.050 {162.HB#} 1.315 0.050 0.050 127740.00000 118619.50000 1 0 425 {127.HG2#} 1.149 0.050 0.050 {127.CG2} 21.578 0.050 0.050 {127.HB} 4.197 0.050 0.050 36093496.00000 2186330.00000 1 0 426 {160.HG2#} 1.154 0.050 0.050 {160.CG2} 21.437 0.050 0.050 {160.HA} 4.292 0.050 0.050 12906718.00000 540519.50000 1 0 428 {159.HD2} 3.577 0.050 0.050 {159.CD} 49.818 0.050 0.050 {159.HA} 4.448 0.050 0.050 1475539.00000 78225.00000 1 0 432 {155.HB#} 1.409 0.050 0.050 {155.CB} 18.523 0.050 0.050 {156.HA} 4.294 0.050 0.050 3879548.00000 188030.50000 1 0 433 {154.HG2#} 0.807 0.050 0.050 {154.CG2} 21.872 0.050 0.050 {153.HB} 2.139 0.050 0.050 2052552.00000 142259.00000 1 0 434 {154.HG2#} 0.811 0.050 0.050 {154.CG2} 21.940 0.050 0.050 {157.HB#} 1.377 0.050 0.050 2570834.00000 101687.50000 1 0 436 {154.HG1#} 0.826 0.050 0.050 {154.CG1} 21.088 0.050 0.050 {155.HB#} 1.408 0.050 0.050 3103014.00000 137449.00000 1 0 437 {154.HG1#} 0.827 0.050 0.050 {154.CG1} 21.178 0.050 0.050 {153.HB} 2.136 0.050 0.050 2177508.00000 110714.50000 1 0 443 {153.HA} 3.583 0.050 0.050 {153.CA} 66.157 0.050 0.050 {153.HB} 2.146 0.050 0.050 1941172.50000 102381.00000 1 0 444 {152.HG} 1.695 0.050 0.050 {152.CG} 26.474 0.050 0.050 {152.HB2} 1.511 0.050 0.050 2177386.50000 106177.00000 1 0 447 {152.HD2#} 0.719 0.050 0.050 {152.CD2} 25.732 0.050 0.050 {151.HB} 4.384 0.050 0.050 746674.50000 68544.50000 1 0 449 {146.HB1} 1.833 0.050 0.050 {146.CB} 41.908 0.050 0.050 {146.HA} 3.821 0.050 0.050 1676622.00000 92777.50000 1 0 450 {152.HB1} 1.854 0.050 0.050 {152.CB} 42.059 0.050 0.050 {152.HB2} 1.501 0.050 0.050 7987883.50000 399771.50000 1 0 452 {152.HA} 4.032 0.050 0.050 {152.CA} 57.368 0.050 0.050 {152.HG} 1.707 0.050 0.050 1666604.00000 82176.50000 1 0 453 {151.HG2#} 1.191 0.050 0.050 {151.CG2} 21.863 0.050 0.050 {152.HD2#} 0.723 0.050 0.050 4782144.50000 229660.50000 1 0 454 {151.HG2#} 1.191 0.050 0.050 {151.CG2} 21.909 0.050 0.050 {152.HB1} 1.854 0.050 0.050 1628530.00000 95835.00000 1 0 455 {151.HG2#} 1.191 0.050 0.050 {151.CG2} 21.909 0.050 0.050 {148.HA} 4.173 0.050 0.050 3606799.50000 188969.50000 1 0 457 {150.HB2} 3.226 0.050 0.050 {150.CB} 29.383 0.050 0.050 {154.HG2#} 0.809 0.050 0.050 1147159.00000 59430.00000 1 0 459 {150.HA} 4.146 0.050 0.050 {150.CA} 60.467 0.050 0.050 {154.HG2#} 0.809 0.050 0.050 2149998.00000 70686.50000 1 0 460 {149.HD2#} 0.862 0.050 0.050 {149.CD2} 27.856 0.050 0.050 {145.HB} 2.006 0.050 0.050 1816337.00000 97117.00000 1 0 461 {149.HD2#} 0.868 0.050 0.050 {149.CD2} 27.873 0.050 0.050 {149.HB2} 1.498 0.050 0.050 5108777.50000 282161.50000 1 0 462 {149.HB1} 1.877 0.050 0.050 {149.CB} 41.881 0.050 0.050 {146.HA} 3.832 0.050 0.050 1776150.00000 86406.50000 1 0 463 {152.HB2} 1.501 0.050 0.050 {152.CB} 42.066 0.050 0.050 {149.HA} 3.938 0.050 0.050 1637227.50000 81632.50000 1 0 466 {152.HB2} 1.506 0.050 0.050 {152.CB} 42.127 0.050 0.050 {152.HG} 1.706 0.050 0.050 2719972.50000 145861.50000 1 0 468 {152.HB2} 1.497 0.050 0.050 {152.CB} 42.153 0.050 0.050 {152.HD2#} 0.721 0.050 0.050 8121954.50000 409407.00000 1 0 470 {148.HG2} 2.722 0.050 0.050 {148.CG} 33.033 0.050 0.050 {148.HB2} 2.207 0.050 0.050 1681265.50000 84428.00000 1 0 474 {141.HA} 4.164 0.050 0.050 {141.CA} 59.389 0.050 0.050 {144.HG2} 2.121 0.050 0.050 1870693.00000 79670.50000 1 0 478 {146.HG} 1.527 0.050 0.050 {146.CG} 27.975 0.050 0.050 {146.HB1} 1.834 0.050 0.050 3610035.50000 168630.00000 1 0 481 {146.HD#} 0.858 0.050 0.050 {146.CD2} 25.038 0.050 0.050 {142.HG} 1.953 0.050 0.050 7831569.00000 393918.50000 1 0 483 {149.HB1} 1.876 0.050 0.050 {149.CB} 41.981 0.050 0.050 {149.HB2} 1.487 0.050 0.050 6256509.00000 278574.00000 1 0 484 {152.HB1} 1.854 0.050 0.050 {152.CB} 42.059 0.050 0.050 {152.HD1#} 0.696 0.050 0.050 3743394.50000 226253.50000 1 0 485 {152.HB1} 1.850 0.050 0.050 {152.CB} 42.122 0.050 0.050 {152.HD2#} 0.724 0.050 0.050 5652283.50000 337229.00000 1 0 486 {146.HB2} 1.531 0.050 0.050 {146.CB} 41.910 0.050 0.050 {149.HD1#} 0.739 0.050 0.050 3283846.50000 141636.50000 1 0 491 {146.HA} 3.821 0.050 0.050 {146.CA} 58.844 0.050 0.050 {149.HD1#} 0.739 0.050 0.050 2349598.50000 102295.00000 1 0 496 {145.HD1#} 0.821 0.050 0.050 {145.CD1} 15.257 0.050 0.050 {142.HA} 3.982 0.050 0.050 3490834.00000 144684.50000 1 0 500 {145.HD1#} 0.819 0.050 0.050 {145.CD1} 15.320 0.050 0.050 {144.HB2} 2.192 0.050 0.050 1445438.50000 64767.00000 1 0 501 {145.HD1#} 0.820 0.050 0.050 {145.CD1} 15.385 0.050 0.050 {145.HB} 2.006 0.050 0.050 4861885.00000 234303.50000 1 0 502 {145.HB} 2.008 0.050 0.050 {145.CB} 38.215 0.050 0.050 {145.HG1#} 0.675 0.050 0.050 1363710.50000 61895.50000 1 0 504 {145.HA} 3.404 0.050 0.050 {145.CA} 65.753 0.050 0.050 {146.HD1#} 0.850 0.050 0.050 3862647.50000 186785.00000 1 0 505 {144.HG2} 2.111 0.050 0.050 {144.CG} 36.195 0.050 0.050 {141.HA} 4.167 0.050 0.050 1064247.50000 58459.00000 1 0 512 {142.HG} 1.960 0.050 0.050 {142.CG} 26.450 0.050 0.050 {142.HD2#} 0.948 0.050 0.050 2117928.50000 88861.00000 1 0 513 {142.HG} 1.958 0.050 0.050 {142.CG} 26.499 0.050 0.050 {138.HG2#} 0.812 0.050 0.050 2020944.50000 97010.00000 1 0 514 {142.HG} 1.959 0.050 0.050 {142.CG} 26.499 0.050 0.050 {145.HD1#} 0.820 0.050 0.050 2310306.50000 97010.00000 1 0 515 {142.HG} 1.956 0.050 0.050 {142.CG} 26.499 0.050 0.050 {142.HD1#} 0.699 0.050 0.050 2521809.00000 115669.00000 1 0 519 {142.HA} 3.986 0.050 0.050 {142.CA} 58.201 0.050 0.050 {145.HD1#} 0.819 0.050 0.050 3585098.00000 171685.00000 1 0 521 {134.HA} 3.955 0.050 0.050 {134.CA} 58.201 0.050 0.050 {137.HB2} 1.980 0.050 0.050 3694454.50000 170527.50000 1 0 526 {141.HG1} 1.435 0.050 0.050 {141.CG} 25.985 0.050 0.050 {141.HA} 4.167 0.050 0.050 1163313.00000 60300.00000 1 0 527 {141.HG1} 1.427 0.050 0.050 {141.CG} 26.034 0.050 0.050 {141.HG2} 1.750 0.050 0.050 2910716.50000 131892.00000 1 0 530 {141.HD2} 1.534 0.050 0.050 {141.CD} 29.447 0.050 0.050 {141.HE2} 2.839 0.050 0.050 1618519.50000 83194.50000 1 0 531 {141.HD1} 1.487 0.050 0.050 {141.CD} 29.328 0.050 0.050 {141.HE1} 2.774 0.050 0.050 1673334.00000 71448.00000 1 0 534 {141.HA} 4.169 0.050 0.050 {141.CA} 59.339 0.050 0.050 {141.HG2} 1.765 0.050 0.050 2695328.00000 142188.50000 1 0 538 {140.HB1} 2.096 0.050 0.050 {140.CB} 29.498 0.050 0.050 {141.HA} 4.160 0.050 0.050 2202141.00000 118662.50000 1 0 539 {139.HA} 4.219 0.050 0.050 {139.CA} 58.182 0.050 0.050 {139.HB1} 2.681 0.050 0.050 3721658.50000 129065.50000 1 0 541 {138.HG2#} 0.808 0.050 0.050 {138.CG2} 16.400 0.050 0.050 {135.HA} 3.961 0.050 0.050 1804833.50000 89481.00000 1 0 542 {138.HG2#} 0.814 0.050 0.050 {138.CG2} 16.328 0.050 0.050 {138.HB} 1.959 0.050 0.050 7895514.00000 403750.50000 1 0 545 {145.HB} 2.009 0.050 0.050 {145.CB} 38.099 0.050 0.050 {149.HD2#} 0.867 0.050 0.050 1312643.50000 63967.00000 1 0 555 {138.HA} 3.490 0.050 0.050 {138.CA} 65.901 0.050 0.050 {138.HG1#} 0.933 0.050 0.050 2307099.00000 117215.00000 1 0 558 {138.HA} 3.489 0.050 0.050 {138.CA} 65.873 0.050 0.050 {138.HB} 1.954 0.050 0.050 1451220.00000 73474.50000 1 0 565 {137.HG#} 1.750 0.050 0.050 {137.CG} 26.995 0.050 0.050 {137.HD1} 3.226 0.050 0.050 8091172.50000 421087.50000 1 0 568 {137.HD1} 3.227 0.050 0.050 {137.CD} 43.589 0.050 0.050 {137.HB1} 1.910 0.050 0.050 2037467.00000 106335.00000 1 0 575 {137.HD2} 3.168 0.050 0.050 {137.CD} 43.719 0.050 0.050 {137.HB1} 1.910 0.050 0.050 1942647.50000 121450.00000 1 0 576 {137.HD2} 3.163 0.050 0.050 {137.CD} 43.624 0.050 0.050 {137.HA} 4.133 0.050 0.050 1661344.00000 87709.00000 1 0 587 {137.HA} 4.128 0.050 0.050 {137.CA} 59.149 0.050 0.050 {137.HG#} 1.754 0.050 0.050 3411362.50000 169214.00000 1 0 588 {137.HA} 4.132 0.050 0.050 {137.CA} 59.115 0.050 0.050 {140.HB1} 2.094 0.050 0.050 2445653.00000 114816.50000 1 0 600 {135.HD2#} 0.715 0.050 0.050 {135.CD2} 27.222 0.050 0.050 {131.HA} 3.603 0.050 0.050 2730380.00000 167211.00000 1 0 601 {149.HD1#} 0.743 0.050 0.050 {149.CD1} 25.649 0.050 0.050 {149.HG} 1.720 0.050 0.050 15125431.50000 837792.50000 1 0 602 {149.HD1#} 0.742 0.050 0.050 {149.CD1} 25.641 0.050 0.050 {149.HB1} 1.876 0.050 0.050 8438317.00000 503226.50000 1 0 604 {135.HD1#} 0.604 0.050 0.050 {135.CD1} 22.840 0.050 0.050 {135.HB1} 1.965 0.050 0.050 5661861.50000 308167.00000 1 0 614 {134.HA} 3.955 0.050 0.050 {134.CA} 58.231 0.050 0.050 {138.HG2#} 0.807 0.050 0.050 3816452.50000 188743.50000 1 0 615 {134.HA} 3.955 0.050 0.050 {134.CA} 58.231 0.050 0.050 {137.HB1} 1.911 0.050 0.050 2094336.00000 114953.50000 1 0 616 {133.HB#} 1.404 0.050 0.050 {133.CB} 18.034 0.050 0.050 {136.HB2} 2.817 0.050 0.050 3550062.00000 188829.00000 1 0 617 {133.HB#} 1.395 0.050 0.050 {133.CB} 18.194 0.050 0.050 {136.HB1} 2.636 0.050 0.050 1477070.00000 105157.50000 1 0 618 {133.HB#} 1.405 0.050 0.050 {133.CB} 18.144 0.050 0.050 {134.HA} 3.955 0.050 0.050 3006465.50000 188259.00000 1 0 619 {133.HB#} 1.404 0.050 0.050 {133.CB} 17.944 0.050 0.050 {133.HA} 4.123 0.050 0.050 27127976.50000 1078530.50000 1 0 621 {133.HB#} 1.404 0.050 0.050 {133.CB} 18.194 0.050 0.050 {137.HB2} 1.980 0.050 0.050 3459666.00000 227898.00000 1 0 624 {133.HA} 4.117 0.050 0.050 {133.CA} 55.011 0.050 0.050 {136.HB2} 2.810 0.050 0.050 2204252.00000 123294.00000 1 0 626 {132.HG2#} 1.105 0.050 0.050 {132.CG2} 22.203 0.050 0.050 {135.HD1#} 0.601 0.050 0.050 1476835.50000 119155.50000 1 0 627 {132.HA} 3.541 0.050 0.050 {132.CA} 67.372 0.050 0.050 {135.HD2#} 0.724 0.050 0.050 1648917.50000 80110.50000 1 0 633 {131.HG12} 0.984 0.050 0.050 {131.CG1} 29.009 0.050 0.050 {131.HB} 1.901 0.050 0.050 1838088.00000 84988.50000 1 0 636 {131.HB} 1.896 0.050 0.050 {131.CB} 37.692 0.050 0.050 {131.HD1#} 0.786 0.050 0.050 11158310.00000 588421.00000 1 0 645 {133.HB#} 1.404 0.050 0.050 {133.CB} 18.194 0.050 0.050 {130.HB2} 2.789 0.050 0.050 3303263.00000 163962.00000 1 0 646 {127.HA} 4.259 0.050 0.050 {127.CA} 62.398 0.050 0.050 {130.HB2} 2.789 0.050 0.050 1780031.00000 71857.00000 1 0 653 {129.HA} 4.481 0.050 0.050 {129.CA} 55.137 0.050 0.050 {132.HG2#} 1.105 0.050 0.050 2093062.50000 109679.50000 1 0 654 {129.HA} 4.489 0.050 0.050 {129.CA} 54.892 0.050 0.050 {133.HB#} 1.411 0.050 0.050 1102687.50000 62688.50000 1 0 663 {128.HA} 4.596 0.050 0.050 {128.CA} 53.921 0.050 0.050 {128.HB2} 2.754 0.050 0.050 9873900.50000 542367.00000 1 0 666 {128.HA} 4.601 0.050 0.050 {128.CA} 53.972 0.050 0.050 {127.HG2#} 1.130 0.050 0.050 1383586.50000 81897.00000 1 0 667 {127.HG2#} 1.149 0.050 0.050 {127.CG2} 21.627 0.050 0.050 {128.HB1} 2.701 0.050 0.050 736911.00000 142531.50000 1 0 668 {127.HA} 4.259 0.050 0.050 {127.CA} 62.279 0.050 0.050 {128.HB2} 2.751 0.050 0.050 1150546.50000 71191.50000 1 0 670 {159.HD1} 3.581 0.050 0.050 {159.CD} 49.792 0.050 0.050 {159.HG#} 1.966 0.050 0.050 15610452.00000 838633.00000 1 0 671 {159.HD1} 3.582 0.050 0.050 {159.CD} 49.801 0.050 0.050 {158.HA1} 4.047 0.050 0.050 16230453.50000 837539.00000 1 0 672 {159.HD2} 3.596 0.050 0.050 {159.CD} 49.777 0.050 0.050 {158.HA1} 4.043 0.050 0.050 16858263.00000 890571.50000 1 0 675 {159.HB1} 2.233 0.050 0.050 {159.CB} 32.102 0.050 0.050 {159.HG#} 1.963 0.050 0.050 8277026.00000 510260.50000 1 0 676 {159.HA} 4.446 0.050 0.050 {159.CA} 63.310 0.050 0.050 {159.HG2} 1.963 0.050 0.050 4566801.50000 259424.50000 1 0 678 {157.HB#} 1.374 0.050 0.050 {157.CB} 19.335 0.050 0.050 {158.HA2} 4.065 0.050 0.050 1323608.00000 98011.00000 1 0 679 {156.HB#} 3.814 0.050 0.050 {156.CB} 63.677 0.050 0.050 {152.HD2#} 0.723 0.050 0.050 2128890.50000 331764.50000 1 0 680 {156.HB#} 3.814 0.050 0.050 {156.CB} 63.627 0.050 0.050 {152.HD1#} 0.696 0.050 0.050 1968002.00000 318500.50000 1 0 681 {156.HB#} 3.815 0.050 0.050 {156.CB} 63.623 0.050 0.050 {157.HB#} 1.374 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0.050 0.050 {148.HB1} 1.794 0.050 0.050 1854918.50000 89180.50000 1 0 1045 {148.HB1} 1.765 0.050 0.050 {148.CB} 34.239 0.050 0.050 {148.HB2} 2.186 0.050 0.050 1364267.50000 65270.00000 1 0 1046 {148.HB1} 1.807 0.050 0.050 {148.CB} 33.970 0.050 0.050 {148.HB2} 2.208 0.050 0.050 1297425.00000 67765.50000 1 0 1054 {148.HB2} 2.217 0.050 0.050 {148.CB} 34.170 0.050 0.050 {148.HB1} 1.778 0.050 0.050 1473734.50000 71335.00000 1 0 1059 {146.HD#} 0.856 0.050 0.050 {146.CD2} 25.080 0.050 0.050 {149.HG} 1.713 0.050 0.050 4548255.50000 257596.50000 1 0 1062 {146.HA} 3.816 0.050 0.050 {146.CA} 58.691 0.050 0.050 {149.HG} 1.722 0.050 0.050 1201266.00000 65956.00000 1 0 1063 {145.HG2#} 0.750 0.050 0.050 {145.CG2} 16.696 0.050 0.050 {149.HG} 1.735 0.050 0.050 2884918.50000 167261.50000 1 0 1064 {145.HD1#} 0.821 0.050 0.050 {145.CD1} 15.406 0.050 0.050 {142.HB2} 1.160 0.050 0.050 1659573.00000 81279.50000 1 0 1065 {145.HD1#} 0.821 0.050 0.050 {145.CD1} 15.307 0.050 0.050 {141.HB1} 2.121 0.050 0.050 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{138.HG2#} 0.806 0.050 0.050 {138.CG2} 16.187 0.050 0.050 {141.HB1} 2.137 0.050 0.050 1270054.00000 61420.50000 1 0 1119 {137.HG#} 1.751 0.050 0.050 {137.CG} 26.987 0.050 0.050 {141.HE1} 2.774 0.050 0.050 1932994.00000 89066.00000 1 0 1120 {137.HG#} 1.755 0.050 0.050 {137.CG} 26.987 0.050 0.050 {141.HE2} 2.839 0.050 0.050 1450535.00000 84825.00000 1 0 1126 {135.HG} 1.844 0.050 0.050 {135.CG} 26.009 0.050 0.050 {131.HD1#} 0.797 0.050 0.050 2079280.00000 97911.50000 1 0 1127 {135.HG} 1.844 0.050 0.050 {135.CG} 26.009 0.050 0.050 {131.HG2#} 0.775 0.050 0.050 2230930.50000 111235.50000 1 0 1128 {135.HG} 1.849 0.050 0.050 {135.CG} 26.078 0.050 0.050 {135.HD2#} 0.704 0.050 0.050 2436996.50000 114023.00000 1 0 1129 {135.HG} 1.847 0.050 0.050 {135.CG} 25.997 0.050 0.050 {135.HD1#} 0.601 0.050 0.050 2655720.00000 129777.50000 1 0 1130 {135.HD1#} 0.602 0.050 0.050 {135.CD1} 22.817 0.050 0.050 {135.HG} 1.852 0.050 0.050 8319704.50000 472025.50000 1 0 1137 {135.HB2} 1.212 0.050 0.050 {135.CB} 40.649 0.050 0.050 {135.HB1} 1.963 0.050 0.050 1179467.00000 60274.00000 1 0 1142 {135.HA} 3.961 0.050 0.050 {135.CA} 57.801 0.050 0.050 {135.HG} 1.844 0.050 0.050 3027556.00000 119674.50000 1 0 1145 {132.HG2#} 1.105 0.050 0.050 {132.CG2} 22.353 0.050 0.050 {135.HD2#} 0.716 0.050 0.050 4003209.50000 219483.00000 1 0 1148 {129.HB1} 2.642 0.050 0.050 {129.CB} 40.911 0.050 0.050 {132.HB} 4.073 0.050 0.050 966224.50000 57555.00000 1 0 1151 {127.HG2#} 1.148 0.050 0.050 {127.CG2} 21.498 0.050 0.050 {128.HB2} 2.754 0.050 0.050 1202541.00000 152066.00000 1 0 1152 {127.HG2#} 1.146 0.050 0.050 {127.CG2} 21.498 0.050 0.050 {130.HB2} 2.790 0.050 0.050 1065010.00000 102733.50000 1 0 1153 {127.HG2#} 1.148 0.050 0.050 {127.CG2} 21.413 0.050 0.050 {130.HB1} 2.864 0.050 0.050 490305.50000 151170.00000 1 0 1155 {126.HA} 4.491 0.050 0.050 {126.CA} 58.067 0.050 0.050 {129.HB1} 2.632 0.050 0.050 1416363.00000 89370.50000 1 0 1156 {161.HB1} 3.800 0.050 0.050 {161.CB} 63.704 0.050 0.050 {160.HG2#} 1.178 0.050 0.050 -50074.00000 100744.50000 1 0 1157 {127.HG2#} 1.152 0.050 0.050 {127.CG2} 21.656 0.050 0.050 {128.HA} 4.602 0.050 0.050 1384205.50000 157677.00000 1 0 1158 {153.HG2#} 0.950 0.050 0.050 {153.CG2} 22.839 0.050 0.050 {148.HE#} 1.819 0.050 0.050 10594464.50000 618890.50000 1 0 1159 {153.HG2#} 0.949 0.050 0.050 {153.CG2} 22.894 0.050 0.050 {148.HG1} 2.474 0.050 0.050 3080078.00000 179905.50000 1 0 1160 {153.HG2#} 0.949 0.050 0.050 {153.CG2} 22.808 0.050 0.050 {148.HG2} 2.717 0.050 0.050 1993891.50000 122760.00000 1 0 1161 {153.HG2#} 0.949 0.050 0.050 {153.CG2} 22.729 0.050 0.050 {152.HA} 4.034 0.050 0.050 2043622.50000 111725.00000 1 0 1162 {153.HG2#} 0.947 0.050 0.050 {153.CG2} 22.888 0.050 0.050 {151.HB} 4.383 0.050 0.050 2207462.00000 134994.00000 1 0 1163 {153.HG1#} 0.859 0.050 0.050 {153.CG1} 21.171 0.050 0.050 {151.HB} 4.382 0.050 0.050 1922997.50000 135396.00000 1 0 1164 {153.HG1#} 0.861 0.050 0.050 {153.CG1} 21.384 0.050 0.050 {148.HG2} 2.724 0.050 0.050 1044188.50000 83358.00000 1 0 1165 {153.HG1#} 0.856 0.050 0.050 {153.CG1} 21.396 0.050 0.050 {148.HG1} 2.475 0.050 0.050 1504178.50000 101171.50000 1 0 1166 {153.HG1#} 0.859 0.050 0.050 {153.CG1} 21.210 0.050 0.050 {148.HE#} 1.819 0.050 0.050 4898182.50000 271626.00000 1 0 1169 {152.HD2#} 0.719 0.050 0.050 {152.CD2} 25.552 0.050 0.050 {153.HA} 3.585 0.050 0.050 2250619.00000 128160.50000 1 0 1170 {152.HD2#} 0.722 0.050 0.050 {152.CD2} 25.665 0.050 0.050 {148.HA} 4.175 0.050 0.050 1498072.00000 113820.50000 1 0 1171 {152.HD2#} 0.720 0.050 0.050 {152.CD2} 25.679 0.050 0.050 {155.HA} 4.150 0.050 0.050 1433098.00000 122872.50000 1 0 1172 {152.HD1#} 0.701 0.050 0.050 {152.CD1} 23.129 0.050 0.050 {153.HB} 2.153 0.050 0.050 1780624.00000 100638.00000 1 0 1173 {152.HD1#} 0.697 0.050 0.050 {152.CD1} 23.130 0.050 0.050 {153.HA} 3.595 0.050 0.050 7366114.50000 426815.00000 1 0 1174 {151.HG2#} 1.193 0.050 0.050 {151.CG2} 21.906 0.050 0.050 {153.HA} 3.597 0.050 0.050 1677576.50000 101331.50000 1 0 1175 {150.HA} 4.152 0.050 0.050 {150.CA} 60.469 0.050 0.050 {148.HE#} 1.821 0.050 0.050 2569391.00000 125976.00000 1 0 1176 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.608 0.050 0.050 {149.HD1#} 0.737 0.050 0.050 13114922.50000 837663.50000 1 0 1177 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.596 0.050 0.050 {153.HG1#} 0.861 0.050 0.050 47123468.00000 3040121.00000 1 0 1178 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.579 0.050 0.050 {153.HG2#} 0.949 0.050 0.050 22695652.00000 1479579.50000 1 0 1179 {148.HE#} 1.814 0.050 0.050 {148.CE} 17.590 0.050 0.050 {150.HB#} 3.218 0.050 0.050 6438751.50000 389053.50000 1 0 1180 {148.HE#} 1.814 0.050 0.050 {148.CE} 17.665 0.050 0.050 {153.HA} 3.588 0.050 0.050 2198577.50000 158009.00000 1 0 1181 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.595 0.050 0.050 {151.HA} 3.825 0.050 0.050 5660294.00000 355195.00000 1 0 1182 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.565 0.050 0.050 {147.HA2} 3.939 0.050 0.050 3805265.00000 211184.50000 1 0 1183 {148.HE#} 1.815 0.050 0.050 {148.CE} 17.610 0.050 0.050 {150.HA} 4.149 0.050 0.050 13321196.00000 870328.00000 1 0 1188 {146.HD#} 0.855 0.050 0.050 {146.CD2} 25.134 0.050 0.050 {144.HG1} 2.352 0.050 0.050 3260508.50000 198874.00000 1 0 1189 {146.HD#} 0.855 0.050 0.050 {146.CD2} 25.086 0.050 0.050 {141.HE1} 2.777 0.050 0.050 3013419.00000 169837.00000 1 0 1190 {146.HD#} 0.857 0.050 0.050 {146.CD2} 25.108 0.050 0.050 {145.HA} 3.408 0.050 0.050 3987862.00000 212939.50000 1 0 1191 {145.HD1#} 0.819 0.050 0.050 {145.CD1} 15.321 0.050 0.050 {146.HG} 1.514 0.050 0.050 2916483.50000 147835.00000 1 0 1192 {144.HG1} 2.370 0.050 0.050 {144.CG} 36.193 0.050 0.050 {146.HD#} 0.854 0.050 0.050 2918012.00000 163990.00000 1 0 1193 {144.HG2} 2.117 0.050 0.050 {144.CG} 36.176 0.050 0.050 {146.HD#} 0.852 0.050 0.050 4398733.00000 241630.50000 1 0 1194 {144.HB2} 2.190 0.050 0.050 {144.CB} 29.630 0.050 0.050 {146.HD#} 0.863 0.050 0.050 4783818.50000 244311.50000 1 0 1196 {142.HD2#} 0.947 0.050 0.050 {142.CD2} 28.918 0.050 0.050 {148.HE#} 1.805 0.050 0.050 2592889.50000 137728.50000 1 0 1197 {142.HD2#} 0.948 0.050 0.050 {142.CD2} 28.934 0.050 0.050 {141.HB1} 2.083 0.050 0.050 2684414.50000 144175.00000 1 0 1198 {141.HE2} 2.838 0.050 0.050 {141.CE} 41.886 0.050 0.050 {146.HD1#} 0.856 0.050 0.050 3369648.00000 187797.50000 1 0 1199 {141.HE1} 2.774 0.050 0.050 {141.CE} 41.874 0.050 0.050 {146.HD#} 0.850 0.050 0.050 2877791.00000 168741.50000 1 0 1200 {141.HD2} 1.533 0.050 0.050 {141.CD} 29.381 0.050 0.050 {146.HD#} 0.845 0.050 0.050 2454990.50000 129630.50000 1 0 1201 {141.HD1} 1.495 0.050 0.050 {141.CD} 29.376 0.050 0.050 {146.HD#} 0.848 0.050 0.050 2305031.50000 119426.00000 1 0 1202 {138.HD1#} 0.806 0.050 0.050 {138.CD1} 14.649 0.050 0.050 {135.HG} 1.819 0.050 0.050 5644996.50000 256737.00000 1 0 1203 {138.HD1#} 0.803 0.050 0.050 {138.CD1} 14.766 0.050 0.050 {135.HG} 1.844 0.050 0.050 4711429.50000 223812.00000 1 0 1207 {132.HG2#} 1.105 0.050 0.050 {132.CG2} 22.343 0.050 0.050 {131.HG2#} 0.780 0.050 0.050 8233827.50000 494257.00000 1 0 1210 {132.HG2#} 1.104 0.050 0.050 {132.CG2} 22.241 0.050 0.050 {136.HB2} 2.810 0.050 0.050 1984719.00000 127704.00000 1 0 1211 {132.HG2#} 1.105 0.050 0.050 {132.CG2} 22.303 0.050 0.050 {134.HD#} 3.089 0.050 0.050 3260582.50000 178701.50000 1 0 1212 {131.HG11} 1.573 0.050 0.050 {131.CG1} 29.098 0.050 0.050 {132.HG2#} 1.106 0.050 0.050 1721936.50000 99064.50000 1 0 1213 {131.HD1#} 0.798 0.050 0.050 {131.CD1} 13.106 0.050 0.050 {128.HB2} 2.749 0.050 0.050 2440298.00000 142760.50000 1 0 1214 {126.HA} 4.493 0.050 0.050 {126.CA} 58.068 0.050 0.050 {125.HA#} 3.797 0.050 0.050 10331297.50000 571654.50000 1 0 1215 {134.HD#} 3.086 0.050 0.050 {134.CD} 41.911 0.050 0.050 {135.HB1} 1.955 0.050 0.050 1343199.50000 68540.50000 1 0 1216 {138.HG2#} 0.812 0.050 0.050 {138.CG2} 16.220 0.050 0.050 {139.HB1} 2.696 0.050 0.050 994009.50000 60146.00000 1 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-aliphatic . folded 4438.9 Hz . . . 4.77 . . 34513 2 2 . . C 13 C-aliphatic . folded 15290.5 Hz . . . 41.2 . . 34513 2 3 . . H 1 H . folded 9505.7 Hz . . . 4.77 . . 34513 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 34513 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name . _Spectral_peak_list.Sample_ID 3 _Spectral_peak_list.Sample_label $sample_3 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 18 _Spectral_peak_list.Experiment_name '1H-13C NOESY-HSQC with 13C/15N filter in F1' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; label dataset sw sf HN N H None {1997.51 } {1501.50 } {9505.70 } {949.9045 } { 96.2640 } {949.9045 } HN.L HN.P HN.W HN.B N.L N.P N.W N.B H.L H.P H.W H.B vol int stat flag0 1 {128.HD22} 7.555 0.050 0.050 {128.ND2} 112.647 0.050 0.050 {128.HB2} 2.754 0.050 0.050 3351378.06250 129096.31250 1 0 2 {149.HN} 8.488 0.050 0.050 {149.N} 119.528 0.050 0.050 {149.HA} 3.946 0.050 0.050 1883929.81250 86025.50000 1 0 3 {149.HN} 8.489 0.050 0.050 {149.N} 119.562 0.050 0.050 {148.HB2} 2.206 0.050 0.050 1183978.93750 53843.12500 1 0 4 {149.HN} 8.488 0.050 0.050 {149.N} 119.535 0.050 0.050 {149.HB1} 1.863 0.050 0.050 3134127.37500 144537.75000 1 0 5 {149.HN} 8.492 0.050 0.050 {149.N} 119.533 0.050 0.050 {149.HB2} 1.484 0.050 0.050 1688304.75000 76587.56250 1 0 6 {149.HN} 8.488 0.050 0.050 {149.N} 119.528 0.050 0.050 {149.HD2#} 0.856 0.050 0.050 2278557.75000 103463.25000 1 0 7 {149.HN} 8.491 0.050 0.050 {149.N} 119.557 0.050 0.050 {149.HD1#} 0.725 0.050 0.050 2386745.81250 109153.81250 1 0 8 {149.HN} 8.492 0.050 0.050 {149.N} 119.558 0.050 0.050 {148.HN} 7.745 0.050 0.050 2111823.50000 94420.00000 1 0 9 {131.HN} 8.167 0.050 0.050 {131.N} 120.654 0.050 0.050 {131.HA} 3.613 0.050 0.050 1411007.43750 64667.06250 1 0 10 {131.HN} 8.165 0.050 0.050 {131.N} 120.677 0.050 0.050 {131.HB} 1.890 0.050 0.050 2262858.43750 98425.00000 1 0 11 {131.HN} 8.166 0.050 0.050 {131.N} 120.666 0.050 0.050 {131.HG2#} 0.780 0.050 0.050 2756253.50000 128836.06250 1 0 12 {134.HN} 7.467 0.050 0.050 {134.N} 116.655 0.050 0.050 {135.HB1} 1.929 0.050 0.050 1425505.56250 65611.68750 1 0 13 {134.HN} 7.470 0.050 0.050 {134.N} 116.620 0.050 0.050 {133.HB#} 1.408 0.050 0.050 1766262.87500 81068.81250 1 0 14 {134.HN} 7.469 0.050 0.050 {134.N} 116.675 0.050 0.050 {135.HN} 8.206 0.050 0.050 1403126.06250 63448.12500 1 0 15 {134.HN} 7.465 0.050 0.050 {134.N} 116.615 0.050 0.050 {133.HN} 7.829 0.050 0.050 1267551.87500 56413.87500 1 0 16 {146.HN} 8.422 0.050 0.050 {146.N} 120.291 0.050 0.050 {142.HA} 3.969 0.050 0.050 1164349.62500 59250.18750 1 0 17 {146.HN} 8.422 0.050 0.050 {146.N} 120.274 0.050 0.050 {146.HA} 3.826 0.050 0.050 1874508.62500 90939.00000 1 0 18 {146.HN} 8.419 0.050 0.050 {146.N} 120.239 0.050 0.050 {145.HB} 2.003 0.050 0.050 1432262.68750 66187.68750 1 0 19 {146.HN} 8.423 0.050 0.050 {146.N} 120.250 0.050 0.050 {146.HB1} 1.849 0.050 0.050 2716831.43750 124757.87500 1 0 20 {146.HN} 8.423 0.050 0.050 {146.N} 120.229 0.050 0.050 {146.HB2} 1.561 0.050 0.050 3244883.62500 124251.18750 1 0 21 {146.HN} 8.422 0.050 0.050 {146.N} 120.250 0.050 0.050 {146.HD#} 0.834 0.050 0.050 3381017.37500 156177.68750 1 0 22 {144.HN} 7.859 0.050 0.050 {144.N} 124.806 0.050 0.050 {144.HA} 4.038 0.050 0.050 4857536.25000 212229.68750 1 0 23 {144.HN} 7.860 0.050 0.050 {144.N} 124.812 0.050 0.050 {144.HG1} 2.373 0.050 0.050 1582396.06250 70921.31250 1 0 24 {144.HN} 7.860 0.050 0.050 {144.N} 124.795 0.050 0.050 {144.HB2} 2.173 0.050 0.050 8460482.00000 388066.18750 1 0 25 {144.HN} 7.861 0.050 0.050 {144.N} 124.801 0.050 0.050 {145.HN} 8.440 0.050 0.050 3035917.18750 144511.06250 1 0 26 {147.HN} 7.999 0.050 0.050 {147.N} 105.666 0.050 0.050 {147.HA2} 3.935 0.050 0.050 4525245.18750 174406.62500 1 0 27 {147.HN} 7.993 0.050 0.050 {147.N} 105.649 0.050 0.050 {146.HB1} 1.832 0.050 0.050 1238057.25000 58637.18750 1 0 28 {147.HN} 8.001 0.050 0.050 {147.N} 105.699 0.050 0.050 {146.HB2} 1.528 0.050 0.050 1401127.18750 63725.06250 1 0 29 {147.HN} 7.997 0.050 0.050 {147.N} 105.666 0.050 0.050 {146.HN} 8.397 0.050 0.050 2268788.81250 88170.25000 1 0 30 {155.HN} 7.729 0.050 0.050 {155.N} 122.138 0.050 0.050 {155.HA} 4.164 0.050 0.050 4546746.68750 206049.56250 1 0 31 {155.HN} 7.730 0.050 0.050 {155.N} 122.197 0.050 0.050 {154.HA} 3.713 0.050 0.050 1807455.62500 73577.93750 1 0 32 {155.HN} 7.729 0.050 0.050 {155.N} 122.167 0.050 0.050 {154.HB} 1.973 0.050 0.050 3094850.25000 146282.06250 1 0 33 {155.HN} 7.728 0.050 0.050 {155.N} 122.123 0.050 0.050 {155.HB#} 1.403 0.050 0.050 10959928.81250 514861.93750 1 0 34 {155.HN} 7.728 0.050 0.050 {155.N} 122.159 0.050 0.050 {154.HG1#} 0.818 0.050 0.050 3790346.50000 169507.62500 1 0 35 {153.HN} 8.507 0.050 0.050 {153.N} 120.613 0.050 0.050 {153.HA} 3.590 0.050 0.050 1691933.93750 72889.06250 1 0 36 {153.HN} 8.507 0.050 0.050 {153.N} 120.627 0.050 0.050 {153.HB} 2.141 0.050 0.050 3680346.12500 167299.75000 1 0 37 {139.HN} 8.499 0.050 0.050 {139.N} 120.494 0.050 0.050 {138.HD1#} 0.783 0.050 0.050 3839437.81250 170935.87500 1 0 38 {153.HN} 8.503 0.050 0.050 {153.N} 120.589 0.050 0.050 {149.HD1#} 0.750 0.050 0.050 3426871.62500 149828.56250 1 0 39 {163.HN} 7.825 0.050 0.050 {163.N} 125.450 0.050 0.050 {162.HA} 4.277 0.050 0.050 5184759.62500 274661.87500 1 0 40 {163.HN} 7.825 0.050 0.050 {163.N} 125.549 0.050 0.050 {163.HA} 4.114 0.050 0.050 2091433.68750 122479.87500 1 0 41 {163.HN} 7.827 0.050 0.050 {163.N} 125.624 0.050 0.050 {163.HD#} 3.181 0.050 0.050 355285.81250 34668.81250 1 0 42 {128.HD21} 6.866 0.050 0.050 {128.ND2} 112.639 0.050 0.050 {128.HB1} 2.697 0.050 0.050 1868825.81250 80122.18750 1 0 43 {128.HD21} 6.866 0.050 0.050 {128.ND2} 112.594 0.050 0.050 {128.HD22} 7.552 0.050 0.050 15833939.56250 754502.62500 1 0 44 {156.HN} 7.723 0.050 0.050 {156.N} 112.823 0.050 0.050 {155.HA} 4.161 0.050 0.050 1816808.43750 88317.75000 1 0 45 {156.HN} 7.722 0.050 0.050 {156.N} 112.771 0.050 0.050 {156.HB#} 3.807 0.050 0.050 6011947.81250 278621.50000 1 0 46 {156.HN} 7.721 0.050 0.050 {156.N} 112.765 0.050 0.050 {155.HB#} 1.399 0.050 0.050 4866354.68750 222180.31250 1 0 47 {133.HN} 7.815 0.050 0.050 {133.N} 122.205 0.050 0.050 {133.HA} 4.114 0.050 0.050 3292987.18750 147171.93750 1 0 48 {133.HN} 7.814 0.050 0.050 {133.N} 122.225 0.050 0.050 {133.HB#} 1.401 0.050 0.050 7398035.37500 327505.00000 1 0 49 {133.HN} 7.817 0.050 0.050 {133.N} 122.223 0.050 0.050 {134.HN} 7.474 0.050 0.050 1680536.37500 72705.37500 1 0 50 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {151.HB} 4.387 0.050 0.050 1422640.00000 65333.00000 1 0 51 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {152.HA} 4.023 0.050 0.050 2264484.68750 97275.18750 1 0 52 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {152.HB1} 1.837 0.050 0.050 2245435.56250 99519.12500 1 0 53 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {152.HG} 1.688 0.050 0.050 2860772.50000 120760.93750 1 0 54 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {152.HB2} 1.484 0.050 0.050 1920402.18750 85739.81250 1 0 55 {152.HN} 7.691 0.050 0.050 {152.N} 121.342 0.050 0.050 {152.HD2#} 0.714 0.050 0.050 3591609.43750 164229.50000 1 0 56 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {149.HN} 8.492 0.050 0.050 2287299.56250 104993.87500 1 0 57 {150.HN} 8.443 0.050 0.050 {150.N} 118.233 0.050 0.050 {150.HA} 4.141 0.050 0.050 2649386.12500 129039.06250 1 0 59 {150.HN} 8.445 0.050 0.050 {150.N} 118.290 0.050 0.050 {146.HB1} 1.832 0.050 0.050 1930198.37500 89839.68750 1 0 60 {150.HN} 8.447 0.050 0.050 {150.N} 118.284 0.050 0.050 {149.HB2} 1.482 0.050 0.050 1093329.12500 51932.25000 1 0 62 {150.HN} 8.449 0.050 0.050 {150.N} 118.302 0.050 0.050 {151.HN} 7.577 0.050 0.050 2074394.75000 96529.87500 1 0 63 {138.HN} 7.773 0.050 0.050 {138.N} 121.685 0.050 0.050 {138.HB} 1.963 0.050 0.050 3286130.75000 142338.62500 1 0 64 {138.HN} 7.772 0.050 0.050 {138.N} 121.686 0.050 0.050 {138.HG1#} 0.934 0.050 0.050 1453352.06250 66352.43750 1 0 65 {138.HN} 7.772 0.050 0.050 {138.N} 121.678 0.050 0.050 {138.HD1#} 0.801 0.050 0.050 3099161.31250 138666.12500 1 0 66 {158.HN} 7.920 0.050 0.050 {158.N} 107.373 0.050 0.050 {156.HA} 4.265 0.050 0.050 3458689.37500 125439.25000 1 0 67 {158.HN} 7.920 0.050 0.050 {158.N} 107.373 0.050 0.050 {158.HA1} 4.032 0.050 0.050 11315580.81250 512384.68750 1 0 68 {158.HN} 7.920 0.050 0.050 {158.N} 107.349 0.050 0.050 {159.HD2} 3.605 0.050 0.050 1224059.50000 56507.43750 1 0 69 {158.HN} 7.920 0.050 0.050 {158.N} 107.343 0.050 0.050 {157.HB#} 1.376 0.050 0.050 3406508.68750 165402.50000 1 0 70 {160.HN} 8.241 0.050 0.050 {160.N} 113.791 0.050 0.050 {159.HA} 4.471 0.050 0.050 1481402.62500 70702.75000 1 0 71 {137.HN} 7.564 0.050 0.050 {137.N} 120.104 0.050 0.050 {137.HA} 4.134 0.050 0.050 2587071.12500 116238.18750 1 0 72 {137.HN} 7.561 0.050 0.050 {137.N} 120.085 0.050 0.050 {136.HB2} 2.817 0.050 0.050 1353594.62500 61776.50000 1 0 73 {137.HN} 7.566 0.050 0.050 {137.N} 120.124 0.050 0.050 {136.HB1} 2.642 0.050 0.050 1156158.75000 54320.81250 1 0 74 {137.HN} 7.563 0.050 0.050 {137.N} 120.109 0.050 0.050 {137.HB1} 1.904 0.050 0.050 4163407.31250 151128.31250 1 0 75 {137.HN} 7.561 0.050 0.050 {137.N} 120.075 0.050 0.050 {137.HG#} 1.770 0.050 0.050 2326292.06250 102779.68750 1 0 76 {148.HN} 7.745 0.050 0.050 {148.N} 120.969 0.050 0.050 {148.HA} 4.171 0.050 0.050 2226070.25000 100284.18750 1 0 77 {148.HN} 7.743 0.050 0.050 {148.N} 120.953 0.050 0.050 {144.HA} 4.040 0.050 0.050 1365301.43750 42505.18750 1 0 78 {148.HN} 7.749 0.050 0.050 {148.N} 120.953 0.050 0.050 {147.HA2} 3.935 0.050 0.050 1473879.12500 59301.62500 1 0 79 {148.HN} 7.750 0.050 0.050 {148.N} 120.917 0.050 0.050 {148.HG1} 2.469 0.050 0.050 1438383.93750 65964.81250 1 0 80 {148.HN} 7.747 0.050 0.050 {148.N} 120.962 0.050 0.050 {148.HG2} 2.712 0.050 0.050 1933365.81250 88597.56250 1 0 81 {148.HN} 7.749 0.050 0.050 {148.N} 120.953 0.050 0.050 {148.HB2} 2.190 0.050 0.050 2017009.00000 84570.43750 1 0 82 {148.HN} 7.747 0.050 0.050 {148.N} 120.951 0.050 0.050 {148.HE#} 1.785 0.050 0.050 2163739.87500 92760.87500 1 0 83 {148.HN} 7.751 0.050 0.050 {148.N} 120.989 0.050 0.050 {149.HN} 8.478 0.050 0.050 2488699.12500 112713.87500 1 0 84 {143.HN} 8.087 0.050 0.050 {143.N} 115.415 0.050 0.050 {144.HB2} 2.177 0.050 0.050 2161680.68750 100237.12500 1 0 85 {143.HN} 8.093 0.050 0.050 {143.N} 115.436 0.050 0.050 {142.HN} 8.626 0.050 0.050 1685607.56250 75418.68750 1 0 86 {136.HN} 8.614 0.050 0.050 {136.N} 120.883 0.050 0.050 {136.HA} 4.212 0.050 0.050 1495772.18750 61132.25000 1 0 87 {136.HN} 8.611 0.050 0.050 {136.N} 120.891 0.050 0.050 {136.HB2} 2.816 0.050 0.050 2252745.31250 104917.31250 1 0 88 {136.HN} 8.612 0.050 0.050 {136.N} 120.900 0.050 0.050 {136.HB1} 2.649 0.050 0.050 1628087.62500 75013.81250 1 0 89 {136.HN} 8.611 0.050 0.050 {136.N} 120.887 0.050 0.050 {135.HN} 8.222 0.050 0.050 1628697.75000 76013.56250 1 0 90 {136.HN} 8.614 0.050 0.050 {136.N} 120.884 0.050 0.050 {137.HN} 7.564 0.050 0.050 1547658.87500 67434.68750 1 0 91 {132.HN} 8.238 0.050 0.050 {132.N} 115.760 0.050 0.050 {132.HB} 4.080 0.050 0.050 1852083.81250 86678.25000 1 0 92 {132.HN} 8.235 0.050 0.050 {132.N} 115.765 0.050 0.050 {132.HA} 3.547 0.050 0.050 1672543.50000 77069.43750 1 0 93 {132.HN} 8.238 0.050 0.050 {132.N} 115.744 0.050 0.050 {131.HB} 1.891 0.050 0.050 2021243.12500 94195.56250 1 0 94 {132.HN} 8.236 0.050 0.050 {132.N} 115.770 0.050 0.050 {132.HG2#} 1.109 0.050 0.050 1795040.68750 80463.50000 1 0 95 {132.HN} 8.236 0.050 0.050 {132.N} 115.746 0.050 0.050 {133.HN} 7.823 0.050 0.050 1593995.68750 74558.50000 1 0 96 {140.HN} 7.933 0.050 0.050 {140.N} 119.444 0.050 0.050 {139.HA} 4.214 0.050 0.050 1652692.00000 55132.25000 1 0 97 {140.HN} 7.932 0.050 0.050 {140.N} 119.476 0.050 0.050 {140.HA} 4.041 0.050 0.050 2627524.62500 119760.93750 1 0 98 {140.HN} 7.933 0.050 0.050 {140.N} 119.481 0.050 0.050 {139.HB1} 2.656 0.050 0.050 2141743.56250 85500.93750 1 0 99 {140.HN} 7.932 0.050 0.050 {140.N} 119.489 0.050 0.050 {140.HG2} 2.424 0.050 0.050 2122563.62500 98427.50000 1 0 100 {140.HN} 7.932 0.050 0.050 {140.N} 119.449 0.050 0.050 {140.HB2} 2.217 0.050 0.050 4493178.87500 202219.31250 1 0 101 {140.HN} 7.933 0.050 0.050 {140.N} 119.452 0.050 0.050 {139.HN} 8.496 0.050 0.050 1348549.75000 61872.68750 1 0 102 {142.HN} 8.626 0.050 0.050 {142.N} 118.966 0.050 0.050 {142.HD2#} 0.896 0.050 0.050 1771543.62500 81387.18750 1 0 103 {142.HN} 8.627 0.050 0.050 {142.N} 118.968 0.050 0.050 {142.HD1#} 0.710 0.050 0.050 1738238.75000 77031.25000 1 0 105 {151.HN} 7.569 0.050 0.050 {151.N} 114.504 0.050 0.050 {151.HB} 4.376 0.050 0.050 3105696.18750 142041.81250 1 0 106 {151.HN} 7.570 0.050 0.050 {151.N} 114.508 0.050 0.050 {148.HA} 4.184 0.050 0.050 1808854.62500 81251.56250 1 0 107 {151.HN} 7.570 0.050 0.050 {151.N} 114.488 0.050 0.050 {151.HA} 3.824 0.050 0.050 3052154.62500 134281.43750 1 0 108 {151.HN} 7.568 0.050 0.050 {151.N} 114.471 0.050 0.050 {150.HB#} 3.222 0.050 0.050 3392486.75000 158155.93750 1 0 109 {151.HN} 7.571 0.050 0.050 {151.N} 114.478 0.050 0.050 {151.HG2#} 1.186 0.050 0.050 2238835.56250 102843.81250 1 0 110 {151.HN} 7.568 0.050 0.050 {151.N} 114.427 0.050 0.050 {150.HN} 8.426 0.050 0.050 3562730.37500 124578.31250 1 0 111 {145.HN} 8.456 0.050 0.050 {145.N} 121.387 0.050 0.050 {145.HA} 3.407 0.050 0.050 1257616.31250 58061.31250 1 0 112 {145.HN} 8.457 0.050 0.050 {145.N} 121.437 0.050 0.050 {145.HB} 1.996 0.050 0.050 2818417.68750 128406.43750 1 0 113 {145.HN} 8.454 0.050 0.050 {145.N} 121.452 0.050 0.050 {145.HD1#} 0.817 0.050 0.050 3067312.37500 143420.25000 1 0 114 {145.HN} 8.455 0.050 0.050 {145.N} 121.409 0.050 0.050 {144.HN} 7.858 0.050 0.050 1370042.31250 60652.87500 1 0 115 {141.HN} 8.081 0.050 0.050 {141.N} 120.808 0.050 0.050 {141.HA} 4.159 0.050 0.050 2175735.00000 99818.50000 1 0 116 {141.HN} 8.084 0.050 0.050 {141.N} 120.772 0.050 0.050 {140.HA} 4.018 0.050 0.050 1098247.31250 57255.25000 1 0 117 {141.HN} 8.081 0.050 0.050 {141.N} 120.807 0.050 0.050 {141.HB1} 2.111 0.050 0.050 2677805.68750 111168.18750 1 0 118 {141.HN} 8.079 0.050 0.050 {141.N} 120.791 0.050 0.050 {141.HD2} 1.534 0.050 0.050 1731328.68750 77373.81250 1 0 119 {141.HN} 8.081 0.050 0.050 {141.N} 120.825 0.050 0.050 {142.HN} 8.629 0.050 0.050 1642273.25000 67059.93750 1 0 120 {154.HN} 7.950 0.050 0.050 {154.N} 120.519 0.050 0.050 {153.HB} 2.114 0.050 0.050 2751100.06250 124697.06250 1 0 121 {154.HN} 7.951 0.050 0.050 {154.N} 120.517 0.050 0.050 {154.HB} 1.975 0.050 0.050 6482283.43750 302635.87500 1 0 122 {154.HN} 7.950 0.050 0.050 {154.N} 120.513 0.050 0.050 {154.HG2#} 0.813 0.050 0.050 11751213.50000 541966.50000 1 0 123 {154.HN} 7.951 0.050 0.050 {154.N} 120.515 0.050 0.050 {153.HN} 8.502 0.050 0.050 2670472.06250 121348.56250 1 0 124 {135.HN} 8.227 0.050 0.050 {135.N} 119.938 0.050 0.050 {135.HB2} 1.189 0.050 0.050 891709.00000 38997.56250 1 0 125 {135.HN} 8.219 0.050 0.050 {135.N} 119.905 0.050 0.050 {135.HD2#} 0.756 0.050 0.050 1543336.00000 69800.43750 1 0 126 {157.HN} 7.742 0.050 0.050 {157.N} 124.451 0.050 0.050 {157.HB#} 1.378 0.050 0.050 12135274.62500 556372.93750 1 0 128 {162.HN} 8.206 0.050 0.050 {162.N} 126.378 0.050 0.050 {161.HA} 4.337 0.050 0.050 723132.56250 34952.81250 1 0 129 {160.HN} 8.246 0.050 0.050 {160.N} 113.788 0.050 0.050 {159.HG#} 1.946 0.050 0.050 515904.81250 24349.31250 1 0 130 {162.HN} 8.210 0.050 0.050 {162.N} 126.415 0.050 0.050 {162.HB#} 1.305 0.050 0.050 690483.12500 32357.12500 1 0 131 {163.HN} 7.825 0.050 0.050 {163.N} 125.387 0.050 0.050 {163.HB1} 1.626 0.050 0.050 1012952.31250 47411.93750 1 0 132 {160.HN} 8.247 0.050 0.050 {160.N} 113.848 0.050 0.050 {160.HA} 4.269 0.050 0.050 616496.37500 28701.00000 1 0 135 {157.HN} 7.734 0.050 0.050 {157.N} 124.385 0.050 0.050 {153.HA} 3.599 0.050 0.050 645254.87500 34120.93750 1 0 136 {157.HN} 7.742 0.050 0.050 {157.N} 124.438 0.050 0.050 {157.HA} 4.309 0.050 0.050 6634880.68750 311445.12500 1 0 137 {150.HN} 8.448 0.050 0.050 {150.N} 118.259 0.050 0.050 {148.HN} 7.749 0.050 0.050 815675.31250 35718.81250 1 0 138 {148.HN} 7.747 0.050 0.050 {148.N} 120.953 0.050 0.050 {147.HN} 7.999 0.050 0.050 1898568.50000 81567.50000 1 0 139 {146.HN} 8.422 0.050 0.050 {146.N} 120.229 0.050 0.050 {147.HN} 7.999 0.050 0.050 1168761.50000 49298.12500 1 0 140 {152.HN} 7.691 0.050 0.050 {152.N} 121.337 0.050 0.050 {153.HG2#} 0.925 0.050 0.050 1041708.68750 46793.31250 1 0 141 {152.HN} 7.698 0.050 0.050 {152.N} 121.233 0.050 0.050 {148.HA} 4.181 0.050 0.050 879394.81250 42632.50000 1 0 142 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {151.HA} 3.817 0.050 0.050 1115679.75000 34815.56250 1 0 143 {149.HN} 8.492 0.050 0.050 {149.N} 119.557 0.050 0.050 {148.HA} 4.175 0.050 0.050 671212.37500 27844.43750 1 0 144 {153.HN} 8.513 0.050 0.050 {153.N} 120.668 0.050 0.050 {149.HB2} 1.474 0.050 0.050 1052066.43750 46605.31250 1 0 145 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {153.HB} 2.134 0.050 0.050 585092.50000 21393.37500 1 0 146 {145.HN} 8.456 0.050 0.050 {145.N} 121.432 0.050 0.050 {142.HA} 3.961 0.050 0.050 920791.62500 35105.75000 1 0 147 {143.HN} 8.089 0.050 0.050 {143.N} 115.432 0.050 0.050 {144.HN} 7.860 0.050 0.050 2613082.06250 113979.31250 1 0 149 {138.HN} 7.780 0.050 0.050 {138.N} 121.747 0.050 0.050 {139.HN} 8.499 0.050 0.050 835255.43750 36492.50000 1 0 150 {137.HN} 7.565 0.050 0.050 {137.N} 120.108 0.050 0.050 {138.HN} 7.778 0.050 0.050 1763238.25000 80366.31250 1 0 151 {136.HN} 8.611 0.050 0.050 {136.N} 120.871 0.050 0.050 {133.HN} 7.799 0.050 0.050 737792.18750 36102.50000 1 0 152 {135.HN} 8.222 0.050 0.050 {135.N} 119.993 0.050 0.050 {136.HN} 8.604 0.050 0.050 1051570.62500 47378.25000 1 0 153 {135.HN} 8.217 0.050 0.050 {135.N} 119.957 0.050 0.050 {134.HN} 7.473 0.050 0.050 977589.31250 44001.62500 1 0 155 {129.HN} 8.210 0.050 0.050 {129.N} 120.789 0.050 0.050 {129.HB#} 2.619 0.050 0.050 1054695.25000 47359.87500 1 0 156 {129.HN} 8.206 0.050 0.050 {129.N} 120.758 0.050 0.050 {128.HB2} 2.753 0.050 0.050 476200.00000 21682.81250 1 0 157 {130.HN} 8.186 0.050 0.050 {130.N} 119.049 0.050 0.050 {129.HB1} 2.635 0.050 0.050 597314.12500 24837.50000 1 0 158 {130.HN} 8.181 0.050 0.050 {130.N} 119.115 0.050 0.050 {130.HB2} 2.785 0.050 0.050 631588.75000 27296.62500 1 0 159 {131.HN} 8.167 0.050 0.050 {131.N} 120.717 0.050 0.050 {130.HB2} 2.785 0.050 0.050 716912.81250 26687.62500 1 0 160 {133.HN} 7.812 0.050 0.050 {133.N} 122.191 0.050 0.050 {132.HA} 3.553 0.050 0.050 746021.68750 33933.06250 1 0 161 {147.HN} 7.991 0.050 0.050 {147.N} 105.666 0.050 0.050 {143.HA} 4.166 0.050 0.050 885666.56250 39137.56250 1 0 162 {149.HN} 8.492 0.050 0.050 {149.N} 119.557 0.050 0.050 {146.HA} 3.815 0.050 0.050 1225200.31250 47358.18750 1 0 163 {138.HN} 7.772 0.050 0.050 {138.N} 121.635 0.050 0.050 {137.HA} 4.151 0.050 0.050 786522.12500 34495.68750 1 0 166 {139.HN} 8.498 0.050 0.050 {139.N} 120.474 0.050 0.050 {139.HB1} 2.701 0.050 0.050 3478628.00000 157679.56250 1 0 167 {136.HN} 8.614 0.050 0.050 {136.N} 120.883 0.050 0.050 {135.HA} 3.956 0.050 0.050 597115.62500 27441.56250 1 0 168 {135.HN} 8.221 0.050 0.050 {135.N} 119.935 0.050 0.050 {135.HA} 3.968 0.050 0.050 1074295.25000 50339.81250 1 0 169 {134.HN} 7.468 0.050 0.050 {134.N} 116.641 0.050 0.050 {134.HA} 3.936 0.050 0.050 873305.37500 39836.87500 1 0 171 {150.HN} 8.444 0.050 0.050 {150.N} 118.220 0.050 0.050 {147.HN} 7.979 0.050 0.050 439656.12500 21694.00000 1 0 172 {148.HN} 7.744 0.050 0.050 {148.N} 120.899 0.050 0.050 {145.HA} 3.418 0.050 0.050 846209.62500 40729.62500 1 0 173 {147.HN} 7.994 0.050 0.050 {147.N} 105.666 0.050 0.050 {146.HD#} 0.850 0.050 0.050 995671.62500 44247.50000 1 0 174 {148.HN} 7.748 0.050 0.050 {148.N} 120.963 0.050 0.050 {149.HB2} 1.483 0.050 0.050 664839.06250 30631.37500 1 0 175 {150.HN} 8.448 0.050 0.050 {150.N} 118.259 0.050 0.050 {149.HD1#} 0.733 0.050 0.050 789005.87500 37361.93750 1 0 176 {143.HN} 8.089 0.050 0.050 {143.N} 115.432 0.050 0.050 {143.HB1} 3.927 0.050 0.050 2404889.43750 107995.37500 1 0 178 {135.HN} 8.218 0.050 0.050 {135.N} 119.915 0.050 0.050 {135.HD1#} 0.619 0.050 0.050 1264823.93750 56162.75000 1 0 180 {134.HN} 7.467 0.050 0.050 {134.N} 116.706 0.050 0.050 {135.HG} 1.784 0.050 0.050 1457447.93750 64965.62500 1 0 181 {134.HN} 7.464 0.050 0.050 {134.N} 116.680 0.050 0.050 {134.HD#} 3.081 0.050 0.050 480722.31250 21356.00000 1 0 183 {146.HN} 8.420 0.050 0.050 {146.N} 120.144 0.050 0.050 {145.HA} 3.396 0.050 0.050 795629.75000 36005.68750 1 0 184 {138.HN} 7.775 0.050 0.050 {138.N} 121.699 0.050 0.050 {138.HA} 3.485 0.050 0.050 1004072.50000 44757.25000 1 0 185 {143.HN} 8.084 0.050 0.050 {143.N} 115.432 0.050 0.050 {142.HD2#} 0.937 0.050 0.050 1072540.31250 45576.87500 1 0 186 {130.HD21} 6.896 0.050 0.050 {130.ND2} 112.557 0.050 0.050 {130.HD22} 7.565 0.050 0.050 8391214.18750 388118.75000 1 0 187 {145.HN} 8.457 0.050 0.050 {145.N} 121.438 0.050 0.050 {144.HB2} 2.161 0.050 0.050 2243676.18750 100869.18750 1 0 188 {143.HN} 8.089 0.050 0.050 {143.N} 115.432 0.050 0.050 {142.HD1#} 0.676 0.050 0.050 808987.25000 23885.00000 1 0 190 {143.HN} 8.091 0.050 0.050 {143.N} 115.423 0.050 0.050 {143.HA} 4.159 0.050 0.050 2449043.56250 113871.81250 1 0 191 {136.HN} 8.614 0.050 0.050 {136.N} 120.883 0.050 0.050 {135.HB1} 1.963 0.050 0.050 1408524.56250 59386.68750 1 0 192 {132.HN} 8.237 0.050 0.050 {132.N} 115.770 0.050 0.050 {131.HG2#} 0.768 0.050 0.050 2635284.93750 117520.31250 1 0 193 {140.HN} 7.930 0.050 0.050 {140.N} 119.433 0.050 0.050 {140.HB1} 2.090 0.050 0.050 2435039.93750 112207.25000 1 0 194 {142.HN} 8.624 0.050 0.050 {142.N} 118.958 0.050 0.050 {141.HA} 4.159 0.050 0.050 1554529.62500 71307.56250 1 0 195 {142.HN} 8.625 0.050 0.050 {142.N} 118.947 0.050 0.050 {142.HG} 1.959 0.050 0.050 2578566.12500 113212.25000 1 0 196 {141.HN} 8.079 0.050 0.050 {141.N} 120.855 0.050 0.050 {141.HG2} 1.739 0.050 0.050 1594330.56250 72527.37500 1 0 197 {143.HN} 8.091 0.050 0.050 {143.N} 115.448 0.050 0.050 {143.HB2} 4.021 0.050 0.050 4317122.25000 188523.81250 1 0 198 {157.HN} 7.745 0.050 0.050 {157.N} 124.450 0.050 0.050 {153.HG1#} 0.855 0.050 0.050 794360.81250 33780.93750 1 0 199 {156.HN} 7.723 0.050 0.050 {156.N} 112.817 0.050 0.050 {153.HG1#} 0.838 0.050 0.050 975542.12500 48378.50000 1 0 200 {156.HN} 7.721 0.050 0.050 {156.N} 112.818 0.050 0.050 {152.HD1#} 0.705 0.050 0.050 774193.37500 38707.75000 1 0 201 {154.HN} 7.947 0.050 0.050 {154.N} 120.510 0.050 0.050 {155.HB#} 1.400 0.050 0.050 985671.12500 44028.12500 1 0 202 {139.HN} 8.499 0.050 0.050 {139.N} 120.490 0.050 0.050 {135.HB2} 1.198 0.050 0.050 540971.37500 18721.06250 1 0 203 {153.HN} 8.507 0.050 0.050 {153.N} 120.616 0.050 0.050 {153.HG2#} 0.942 0.050 0.050 5184318.12500 201618.87500 1 0 204 {152.HN} 7.693 0.050 0.050 {152.N} 121.351 0.050 0.050 {151.HG2#} 1.188 0.050 0.050 981698.31250 39163.18750 1 0 205 {151.HN} 7.570 0.050 0.050 {151.N} 114.381 0.050 0.050 {154.HN} 7.955 0.050 0.050 487050.87500 23984.00000 1 0 206 {151.HN} 7.570 0.050 0.050 {151.N} 114.509 0.050 0.050 {152.HB1} 1.799 0.050 0.050 893859.81250 38566.75000 1 0 207 {151.HN} 7.568 0.050 0.050 {151.N} 114.534 0.050 0.050 {154.HG2#} 0.780 0.050 0.050 962142.31250 44229.06250 1 0 209 {146.HN} 8.422 0.050 0.050 {146.N} 120.247 0.050 0.050 {148.HA} 4.166 0.050 0.050 914760.18750 37778.50000 1 0 210 {160.HN} 8.245 0.050 0.050 {160.N} 113.813 0.050 0.050 {159.HB1} 2.238 0.050 0.050 383448.75000 19160.93750 1 0 212 {155.HN} 7.728 0.050 0.050 {155.N} 122.200 0.050 0.050 {152.HA} 3.978 0.050 0.050 996562.37500 52028.56250 1 0 213 {154.HN} 7.948 0.050 0.050 {154.N} 120.473 0.050 0.050 {151.HG2#} 1.198 0.050 0.050 485750.43750 22549.75000 1 0 216 {139.HN} 8.507 0.050 0.050 {139.N} 120.490 0.050 0.050 {142.HD1#} 0.676 0.050 0.050 1158066.56250 67280.62500 1 0 222 {147.HN} 7.994 0.050 0.050 {147.N} 105.666 0.050 0.050 {145.HG2#} 0.741 0.050 0.050 507792.93750 24526.68750 1 0 223 {146.HN} 8.422 0.050 0.050 {146.N} 120.266 0.050 0.050 {145.HG12} 0.667 0.050 0.050 1897036.62500 43270.68750 1 0 225 {145.HN} 8.454 0.050 0.050 {145.N} 121.362 0.050 0.050 {146.HG} 1.512 0.050 0.050 569106.18750 25283.37500 1 0 226 {144.HN} 7.855 0.050 0.050 {144.N} 124.774 0.050 0.050 {145.HG1#} 0.714 0.050 0.050 652719.87500 32574.31250 1 0 227 {143.HN} 8.089 0.050 0.050 {143.N} 115.432 0.050 0.050 {145.HN} 8.456 0.050 0.050 432284.18750 20646.68750 1 0 229 {142.HN} 8.629 0.050 0.050 {142.N} 118.958 0.050 0.050 {144.HN} 7.860 0.050 0.050 597212.06250 27395.12500 1 0 230 {142.HN} 8.625 0.050 0.050 {142.N} 118.947 0.050 0.050 {138.HA} 3.485 0.050 0.050 466556.68750 23078.93750 1 0 231 {142.HN} 8.627 0.050 0.050 {142.N} 119.021 0.050 0.050 {141.HG2} 1.735 0.050 0.050 675066.06250 31423.06250 1 0 232 {141.HN} 8.079 0.050 0.050 {141.N} 120.756 0.050 0.050 {138.HA} 3.483 0.050 0.050 611743.50000 28301.93750 1 0 234 {141.HN} 8.081 0.050 0.050 {141.N} 120.825 0.050 0.050 {141.HG1} 1.422 0.050 0.050 1293215.25000 48625.37500 1 0 235 {141.HN} 8.081 0.050 0.050 {141.N} 120.825 0.050 0.050 {138.HG2#} 0.804 0.050 0.050 990827.81250 29043.68750 1 0 236 {140.HN} 7.933 0.050 0.050 {140.N} 119.481 0.050 0.050 {138.HG2#} 0.804 0.050 0.050 384519.31250 18163.75000 1 0 239 {137.HN} 7.563 0.050 0.050 {137.N} 120.109 0.050 0.050 {135.HA} 3.956 0.050 0.050 642447.81250 25144.31250 1 0 240 {137.HN} 7.563 0.050 0.050 {137.N} 120.109 0.050 0.050 {137.HD1} 3.223 0.050 0.050 569272.81250 25467.43750 1 0 241 {136.HN} 8.607 0.050 0.050 {136.N} 120.861 0.050 0.050 {133.HB#} 1.397 0.050 0.050 472044.31250 23881.50000 1 0 242 {136.HN} 8.614 0.050 0.050 {136.N} 120.853 0.050 0.050 {135.HD2#} 0.770 0.050 0.050 891088.06250 39881.87500 1 0 243 {135.HN} 8.216 0.050 0.050 {135.N} 119.985 0.050 0.050 {133.HA} 4.136 0.050 0.050 535060.75000 22919.00000 1 0 246 {133.HN} 7.815 0.050 0.050 {133.N} 122.215 0.050 0.050 {132.HG2#} 1.151 0.050 0.050 824506.75000 41008.31250 1 0 247 {132.HN} 8.235 0.050 0.050 {132.N} 115.771 0.050 0.050 {131.HG11} 1.532 0.050 0.050 594339.87500 29618.31250 1 0 248 {132.HN} 8.237 0.050 0.050 {132.N} 115.785 0.050 0.050 {133.HB#} 1.384 0.050 0.050 797449.06250 37388.56250 1 0 249 {131.HN} 8.164 0.050 0.050 {131.N} 120.693 0.050 0.050 {131.HG11} 1.560 0.050 0.050 1413044.00000 64485.68750 1 0 250 {131.HN} 8.167 0.050 0.050 {131.N} 120.680 0.050 0.050 {127.HG2#} 1.153 0.050 0.050 446441.37500 19822.37500 1 0 251 {154.HN} 7.951 0.050 0.050 {154.N} 120.503 0.050 0.050 {154.HA} 3.738 0.050 0.050 3344240.62500 152548.25000 1 0 252 {154.HN} 7.950 0.050 0.050 {154.N} 120.510 0.050 0.050 {153.HA} 3.589 0.050 0.050 1413223.75000 53836.68750 1 0 254 {150.HN} 8.446 0.050 0.050 {150.N} 118.271 0.050 0.050 {150.HB#} 3.221 0.050 0.050 6720012.87500 305577.43750 1 0 258 {153.HN} 8.507 0.050 0.050 {153.N} 120.622 0.050 0.050 {154.HN} 7.951 0.050 0.050 3267295.68750 122649.56250 1 0 260 {139.HN} 8.499 0.050 0.050 {139.N} 120.490 0.050 0.050 {137.HN} 7.563 0.050 0.050 506955.75000 25529.25000 1 0 262 {138.HN} 7.775 0.050 0.050 {138.N} 121.660 0.050 0.050 {137.HN} 7.563 0.050 0.050 1359492.50000 46149.43750 1 0 263 {138.HN} 7.782 0.050 0.050 {138.N} 121.678 0.050 0.050 {137.HG#} 1.748 0.050 0.050 1023780.31250 40854.31250 1 0 267 {137.HN} 7.569 0.050 0.050 {137.N} 120.186 0.050 0.050 {140.HG2} 2.443 0.050 0.050 418459.18750 19390.93750 1 0 269 {135.HN} 8.223 0.050 0.050 {135.N} 119.935 0.050 0.050 {133.HN} 7.841 0.050 0.050 407839.31250 21617.62500 1 0 270 {135.HN} 8.226 0.050 0.050 {135.N} 120.034 0.050 0.050 {132.HA} 3.530 0.050 0.050 522438.25000 23776.68750 1 0 271 {134.HN} 7.471 0.050 0.050 {134.N} 116.623 0.050 0.050 {131.HA} 3.577 0.050 0.050 522776.18750 24514.31250 1 0 274 {128.HD22} 7.548 0.050 0.050 {128.ND2} 112.647 0.050 0.050 {128.HA} 4.592 0.050 0.050 374856.68750 19137.68750 1 0 275 {130.HD22} 7.559 0.050 0.050 {130.ND2} 112.584 0.050 0.050 {130.HB1} 2.850 0.050 0.050 1208358.50000 51379.75000 1 0 276 {130.HD21} 6.900 0.050 0.050 {130.ND2} 112.481 0.050 0.050 {127.HB} 4.168 0.050 0.050 724771.12500 36049.12500 1 0 277 {130.HD21} 6.905 0.050 0.050 {130.ND2} 112.547 0.050 0.050 {130.HB2} 2.781 0.050 0.050 1109531.06250 45877.68750 1 0 278 {130.HD21} 6.897 0.050 0.050 {130.ND2} 112.547 0.050 0.050 {130.HB1} 2.850 0.050 0.050 1022486.75000 40284.31250 1 0 280 {130.HN} 8.181 0.050 0.050 {130.N} 119.115 0.050 0.050 {130.HB1} 2.850 0.050 0.050 567420.62500 24718.75000 1 0 281 {131.HN} 8.167 0.050 0.050 {131.N} 120.717 0.050 0.050 {130.HB1} 2.850 0.050 0.050 649635.50000 30808.31250 1 0 282 {163.HN} 7.830 0.050 0.050 {163.N} 125.314 0.050 0.050 {163.HB2} 1.737 0.050 0.050 879294.12500 32877.00000 1 0 283 {163.HN} 7.824 0.050 0.050 {163.N} 125.516 0.050 0.050 {162.HB#} 1.310 0.050 0.050 672290.62500 37221.00000 1 0 284 {161.HN} 8.128 0.050 0.050 {161.N} 117.789 0.050 0.050 {160.HA} 4.284 0.050 0.050 617549.00000 28290.18750 1 0 286 {158.HN} 7.920 0.050 0.050 {158.N} 107.373 0.050 0.050 {158.HA2} 4.066 0.050 0.050 10897935.37500 505884.43750 1 0 287 {158.HN} 7.920 0.050 0.050 {158.N} 107.373 0.050 0.050 {157.HA} 4.315 0.050 0.050 3158826.43750 146300.00000 1 0 288 {157.HN} 7.745 0.050 0.050 {157.N} 124.450 0.050 0.050 {155.HA} 4.161 0.050 0.050 687187.00000 32147.62500 1 0 289 {157.HN} 7.745 0.050 0.050 {157.N} 124.450 0.050 0.050 {154.HG2#} 0.807 0.050 0.050 724433.93750 34699.00000 1 0 291 {157.HN} 7.743 0.050 0.050 {157.N} 124.422 0.050 0.050 {154.HA} 3.711 0.050 0.050 966886.00000 43184.62500 1 0 292 {157.HN} 7.745 0.050 0.050 {157.N} 124.450 0.050 0.050 {156.HB#} 3.813 0.050 0.050 1739926.18750 77777.12500 1 0 293 {157.HN} 7.745 0.050 0.050 {157.N} 124.450 0.050 0.050 {154.HN} 7.950 0.050 0.050 1574544.31250 73683.06250 1 0 294 {156.HN} 7.723 0.050 0.050 {156.N} 112.769 0.050 0.050 {156.HA} 4.295 0.050 0.050 3440920.56250 163905.62500 1 0 298 {156.HN} 7.723 0.050 0.050 {156.N} 112.786 0.050 0.050 {153.HA} 3.589 0.050 0.050 1119691.75000 49581.75000 1 0 303 {156.HN} 7.714 0.050 0.050 {156.N} 112.823 0.050 0.050 {153.HN} 8.510 0.050 0.050 440867.68750 21327.18750 1 0 306 {155.HN} 7.748 0.050 0.050 {155.N} 122.160 0.050 0.050 {152.HD1#} 0.689 0.050 0.050 556251.81250 19159.68750 1 0 307 {155.HN} 7.730 0.050 0.050 {155.N} 122.160 0.050 0.050 {151.HG2#} 1.190 0.050 0.050 792516.68750 27240.12500 1 0 308 {155.HN} 7.727 0.050 0.050 {155.N} 122.197 0.050 0.050 {153.HN} 8.510 0.050 0.050 567608.18750 29210.37500 1 0 310 {154.HN} 7.950 0.050 0.050 {154.N} 120.565 0.050 0.050 {150.HA} 4.140 0.050 0.050 945893.87500 40045.75000 1 0 311 {154.HN} 7.945 0.050 0.050 {154.N} 120.565 0.050 0.050 {152.HA} 4.048 0.050 0.050 415909.50000 26704.43750 1 0 314 {153.HN} 8.506 0.050 0.050 {153.N} 120.616 0.050 0.050 {156.HB#} 3.814 0.050 0.050 676329.31250 38725.12500 1 0 315 {153.HN} 8.505 0.050 0.050 {153.N} 120.543 0.050 0.050 {156.HN} 7.738 0.050 0.050 2666498.56250 116107.37500 1 0 318 {153.HN} 8.503 0.050 0.050 {153.N} 120.616 0.050 0.050 {152.HG} 1.727 0.050 0.050 742516.18750 42969.68750 1 0 319 {153.HN} 8.506 0.050 0.050 {153.N} 120.598 0.050 0.050 {149.HB1} 1.843 0.050 0.050 2058920.37500 64051.37500 1 0 320 {153.HN} 8.501 0.050 0.050 {153.N} 120.616 0.050 0.050 {154.HB} 1.979 0.050 0.050 880108.18750 44677.56250 1 0 321 {153.HN} 8.506 0.050 0.050 {153.N} 120.616 0.050 0.050 {153.HG1#} 0.855 0.050 0.050 3806290.87500 182733.75000 1 0 323 {153.HN} 8.508 0.050 0.050 {153.N} 120.616 0.050 0.050 {152.HD1#} 0.690 0.050 0.050 2308063.43750 90425.00000 1 0 326 {153.HN} 8.502 0.050 0.050 {153.N} 120.506 0.050 0.050 {150.HA} 4.182 0.050 0.050 2922904.12500 134565.93750 1 0 336 {151.HN} 7.570 0.050 0.050 {151.N} 114.427 0.050 0.050 {149.HN} 8.492 0.050 0.050 2630264.62500 115477.93750 1 0 338 {151.HN} 7.572 0.050 0.050 {151.N} 114.482 0.050 0.050 {150.HA} 4.100 0.050 0.050 1343539.81250 45302.81250 1 0 339 {150.HN} 8.448 0.050 0.050 {150.N} 118.259 0.050 0.050 {149.HA} 3.931 0.050 0.050 1246760.31250 59104.68750 1 0 340 {150.HN} 8.448 0.050 0.050 {150.N} 118.259 0.050 0.050 {153.HG1#} 0.855 0.050 0.050 1163276.87500 41522.25000 1 0 350 {148.HN} 7.749 0.050 0.050 {148.N} 120.953 0.050 0.050 {145.HG2#} 0.741 0.050 0.050 915913.68750 39654.25000 1 0 354 {147.HN} 7.999 0.050 0.050 {147.N} 105.666 0.050 0.050 {150.HN} 8.448 0.050 0.050 2188698.31250 98730.06250 1 0 359 {146.HN} 8.421 0.050 0.050 {146.N} 120.229 0.050 0.050 {146.HG} 1.486 0.050 0.050 3229246.37500 111588.25000 1 0 360 {146.HN} 8.420 0.050 0.050 {146.N} 120.327 0.050 0.050 {142.HB1} 2.203 0.050 0.050 561012.43750 26996.75000 1 0 361 {146.HN} 8.411 0.050 0.050 {146.N} 120.247 0.050 0.050 {144.HA} 4.039 0.050 0.050 480821.50000 22889.37500 1 0 363 {145.HN} 8.452 0.050 0.050 {145.N} 121.430 0.050 0.050 {145.HG1#} 0.684 0.050 0.050 2423233.87500 95610.43750 1 0 364 {145.HN} 8.461 0.050 0.050 {145.N} 121.432 0.050 0.050 {145.HG2#} 0.741 0.050 0.050 2362472.43750 111027.56250 1 0 366 {145.HN} 8.472 0.050 0.050 {145.N} 121.382 0.050 0.050 {141.HA} 4.151 0.050 0.050 601776.12500 26883.43750 1 0 367 {145.HN} 8.449 0.050 0.050 {145.N} 121.432 0.050 0.050 {144.HA} 4.040 0.050 0.050 801521.75000 38060.62500 1 0 369 {145.HN} 8.456 0.050 0.050 {145.N} 121.432 0.050 0.050 {146.HB1} 1.837 0.050 0.050 685429.87500 30277.06250 1 0 373 {144.HN} 7.859 0.050 0.050 {144.N} 124.800 0.050 0.050 {143.HN} 8.085 0.050 0.050 2847597.25000 128257.06250 1 0 377 {144.HN} 7.861 0.050 0.050 {144.N} 124.766 0.050 0.050 {145.HB} 2.052 0.050 0.050 1317394.18750 62456.37500 1 0 378 {143.HN} 8.089 0.050 0.050 {143.N} 115.432 0.050 0.050 {146.HD#} 0.850 0.050 0.050 1057246.25000 44944.81250 1 0 379 {143.HN} 8.086 0.050 0.050 {143.N} 115.367 0.050 0.050 {142.HG} 1.955 0.050 0.050 865770.00000 41479.75000 1 0 383 {142.HN} 8.629 0.050 0.050 {142.N} 118.958 0.050 0.050 {141.HG1} 1.422 0.050 0.050 470392.68750 21510.75000 1 0 384 {142.HN} 8.625 0.050 0.050 {142.N} 118.928 0.050 0.050 {142.HA} 4.004 0.050 0.050 1422214.68750 64911.62500 1 0 386 {142.HN} 8.631 0.050 0.050 {142.N} 118.952 0.050 0.050 {142.HB1} 2.157 0.050 0.050 2118786.00000 96672.43750 1 0 387 {142.HN} 8.629 0.050 0.050 {142.N} 118.958 0.050 0.050 {139.HA} 4.215 0.050 0.050 911284.87500 48474.37500 1 0 388 {142.HN} 8.627 0.050 0.050 {142.N} 118.959 0.050 0.050 {141.HN} 8.087 0.050 0.050 3168117.75000 144271.43750 1 0 392 {141.HN} 8.079 0.050 0.050 {141.N} 120.825 0.050 0.050 {144.HN} 7.860 0.050 0.050 829408.81250 34107.43750 1 0 395 {141.HN} 8.081 0.050 0.050 {141.N} 120.825 0.050 0.050 {142.HG} 1.958 0.050 0.050 783629.62500 27614.43750 1 0 399 {140.HN} 7.937 0.050 0.050 {140.N} 119.446 0.050 0.050 {141.HG2} 1.768 0.050 0.050 591147.87500 27742.87500 1 0 402 {140.HN} 7.933 0.050 0.050 {140.N} 119.444 0.050 0.050 {136.HA} 4.212 0.050 0.050 1277922.68750 55132.25000 1 0 403 {139.HN} 8.499 0.050 0.050 {139.N} 120.480 0.050 0.050 {140.HG2} 2.413 0.050 0.050 516307.75000 24470.75000 1 0 407 {139.HN} 8.503 0.050 0.050 {139.N} 120.480 0.050 0.050 {138.HB} 1.930 0.050 0.050 2058920.37500 91488.87500 1 0 408 {139.HN} 8.504 0.050 0.050 {139.N} 120.490 0.050 0.050 {140.HB1} 2.086 0.050 0.050 2220591.68750 83170.87500 1 0 409 {139.HN} 8.503 0.050 0.050 {139.N} 120.490 0.050 0.050 {140.HB2} 2.202 0.050 0.050 1361941.68750 93448.43750 1 0 412 {139.HN} 8.505 0.050 0.050 {139.N} 120.490 0.050 0.050 {140.HN} 7.933 0.050 0.050 3267295.68750 143096.62500 1 0 417 {139.HN} 8.506 0.050 0.050 {139.N} 120.600 0.050 0.050 {138.HG1#} 0.900 0.050 0.050 5184318.12500 233621.50000 1 0 418 {139.HN} 8.497 0.050 0.050 {139.N} 120.490 0.050 0.050 {138.HA} 3.488 0.050 0.050 514059.81250 25882.25000 1 0 419 {139.HN} 8.504 0.050 0.050 {139.N} 120.589 0.050 0.050 {135.HA} 3.997 0.050 0.050 1496329.87500 69752.68750 1 0 424 {138.HN} 7.773 0.050 0.050 {138.N} 121.710 0.050 0.050 {135.HA} 3.948 0.050 0.050 792537.68750 35961.37500 1 0 427 {137.HN} 7.563 0.050 0.050 {137.N} 120.091 0.050 0.050 {136.HN} 8.614 0.050 0.050 1315663.81250 54020.93750 1 0 429 {137.HN} 7.563 0.050 0.050 {137.N} 120.109 0.050 0.050 {137.HD2} 3.165 0.050 0.050 512917.37500 21281.56250 1 0 430 {137.HN} 7.563 0.050 0.050 {137.N} 120.109 0.050 0.050 {134.HA} 3.938 0.050 0.050 651071.43750 25033.18750 1 0 431 {136.HN} 8.614 0.050 0.050 {136.N} 120.883 0.050 0.050 {137.HB1} 1.904 0.050 0.050 1207189.62500 54348.12500 1 0 437 {136.HN} 8.613 0.050 0.050 {136.N} 120.877 0.050 0.050 {132.HA} 3.544 0.050 0.050 699885.18750 31995.81250 1 0 440 {136.HN} 8.604 0.050 0.050 {136.N} 120.826 0.050 0.050 {134.HN} 7.466 0.050 0.050 572288.00000 26152.87500 1 0 441 {135.HN} 8.220 0.050 0.050 {135.N} 119.983 0.050 0.050 {135.HG} 1.838 0.050 0.050 2167033.87500 93793.50000 1 0 444 {135.HN} 8.219 0.050 0.050 {135.N} 119.985 0.050 0.050 {135.HB1} 1.959 0.050 0.050 1706038.81250 75025.31250 1 0 448 {134.HN} 7.466 0.050 0.050 {134.N} 116.649 0.050 0.050 {131.HG2#} 0.768 0.050 0.050 574137.06250 27131.93750 1 0 454 {134.HN} 7.465 0.050 0.050 {134.N} 116.473 0.050 0.050 {136.HN} 8.606 0.050 0.050 379173.18750 19086.62500 1 0 455 {133.HN} 7.815 0.050 0.050 {133.N} 122.225 0.050 0.050 {132.HN} 8.221 0.050 0.050 1804152.62500 84363.31250 1 0 467 {131.HN} 8.159 0.050 0.050 {131.N} 120.680 0.050 0.050 {131.HG12} 0.978 0.050 0.050 680586.43750 29779.81250 1 0 470 {131.HN} 8.171 0.050 0.050 {131.N} 120.745 0.050 0.050 {134.HN} 7.477 0.050 0.050 381379.56250 19390.31250 1 0 472 {128.HD22} 7.555 0.050 0.050 {128.ND2} 112.647 0.050 0.050 {128.HB1} 2.696 0.050 0.050 3351378.06250 138464.62500 1 0 473 {128.HD22} 7.552 0.050 0.050 {128.ND2} 112.584 0.050 0.050 {128.HD21} 6.846 0.050 0.050 22686713.62500 944302.68750 1 0 477 {130.HD22} 7.559 0.050 0.050 {130.ND2} 112.584 0.050 0.050 {130.HD21} 6.897 0.050 0.050 15303099.56250 727601.93750 1 0 482 {129.HN} 8.207 0.050 0.050 {129.N} 120.758 0.050 0.050 {128.HB1} 2.696 0.050 0.050 496002.31250 21267.00000 1 0 489 {130.HD22} 7.551 0.050 0.050 {130.ND2} 112.573 0.050 0.050 {131.HD1#} 0.791 0.050 0.050 634104.62500 30389.12500 1 0 492 {128.HD21} 6.867 0.050 0.050 {128.ND2} 112.639 0.050 0.050 {128.HB2} 2.754 0.050 0.050 1576449.06250 73788.56250 1 0 493 {158.HN} 7.922 0.050 0.050 {158.N} 107.404 0.050 0.050 {156.HB#} 3.833 0.050 0.050 842492.37500 43214.31250 1 0 499 {150.HN} 8.448 0.050 0.050 {150.N} 118.304 0.050 0.050 {149.HG} 1.698 0.050 0.050 631196.12500 33094.87500 1 0 500 {149.HN} 8.492 0.050 0.050 {149.N} 119.557 0.050 0.050 {152.HG} 1.710 0.050 0.050 2613987.68750 117362.81250 1 0 502 {144.HN} 7.860 0.050 0.050 {144.N} 124.771 0.050 0.050 {145.HD1#} 0.841 0.050 0.050 1352069.37500 62067.25000 1 0 503 {144.HN} 7.865 0.050 0.050 {144.N} 124.838 0.050 0.050 {146.HB2} 1.522 0.050 0.050 523565.50000 25434.87500 1 0 505 {143.HN} 8.091 0.050 0.050 {143.N} 115.362 0.050 0.050 {140.HG2} 2.420 0.050 0.050 420061.87500 23296.87500 1 0 506 {137.HN} 7.562 0.050 0.050 {137.N} 120.034 0.050 0.050 {140.HB2} 2.221 0.050 0.050 516047.31250 22416.62500 1 0 508 {137.HN} 7.567 0.050 0.050 {137.N} 120.072 0.050 0.050 {141.HG1} 1.432 0.050 0.050 514322.00000 24854.93750 1 0 509 {137.HN} 7.566 0.050 0.050 {137.N} 120.024 0.050 0.050 {138.HD1#} 0.779 0.050 0.050 668659.56250 32200.06250 1 0 510 {136.HN} 8.610 0.050 0.050 {136.N} 120.848 0.050 0.050 {137.HG#} 1.767 0.050 0.050 750692.93750 35026.93750 1 0 519 {130.HD21} 6.891 0.050 0.050 {130.ND2} 112.523 0.050 0.050 {133.HB#} 1.387 0.050 0.050 558646.81250 28081.00000 1 0 525 {142.HN} 8.626 0.050 0.050 {142.N} 118.931 0.050 0.050 {141.HB2} 1.534 0.050 0.050 1165411.87500 53957.31250 1 0 526 {141.HN} 8.081 0.050 0.050 {141.N} 120.825 0.050 0.050 {141.HB2} 1.592 0.050 0.050 1216654.06250 51287.68750 1 0 528 {140.HN} 7.933 0.050 0.050 {140.N} 119.481 0.050 0.050 {139.HB2} 2.714 0.050 0.050 2055244.25000 92038.31250 1 0 535 {137.HN} 7.563 0.050 0.050 {137.N} 120.109 0.050 0.050 {137.HB2} 1.972 0.050 0.050 3055913.06250 131601.87500 1 0 539 {128.HD22} 7.559 0.050 0.050 {128.ND2} 112.555 0.050 0.050 {132.HG2#} 1.138 0.050 0.050 659354.06250 33447.00000 1 0 540 {128.HD21} 6.864 0.050 0.050 {128.ND2} 112.731 0.050 0.050 {131.HD1#} 0.794 0.050 0.050 676989.06250 35976.00000 1 0 541 {128.HD21} 6.865 0.050 0.050 {128.ND2} 112.706 0.050 0.050 {131.HG12} 0.977 0.050 0.050 605766.68750 38696.43750 1 0 542 {128.HD21} 6.866 0.050 0.050 {128.ND2} 112.697 0.050 0.050 {127.HG2#} 1.144 0.050 0.050 456764.75000 24404.93750 1 0 548 {155.HN} 7.732 0.050 0.050 {155.N} 122.160 0.050 0.050 {156.HB#} 3.813 0.050 0.050 726783.62500 46806.62500 1 0 552 {147.HN} 7.999 0.050 0.050 {147.N} 105.666 0.050 0.050 {147.HA1} 3.852 0.050 0.050 4525245.18750 175146.18750 1 0 555 {149.HN} 8.492 0.050 0.050 {149.N} 119.557 0.050 0.050 {148.HB1} 1.765 0.050 0.050 2266186.25000 99707.62500 1 0 560 {155.HN} 7.727 0.050 0.050 {155.N} 122.140 0.050 0.050 {154.HN} 7.946 0.050 0.050 4314555.87500 203381.56250 1 0 561 {154.HN} 7.951 0.050 0.050 {154.N} 120.529 0.050 0.050 {155.HN} 7.729 0.050 0.050 3596071.37500 167087.75000 1 0 564 {154.HN} 7.949 0.050 0.050 {154.N} 120.510 0.050 0.050 {152.HN} 7.671 0.050 0.050 2602832.93750 85621.50000 1 0 565 {154.HN} 7.952 0.050 0.050 {154.N} 120.502 0.050 0.050 {153.HG2#} 0.921 0.050 0.050 2158156.18750 100058.68750 1 0 569 {157.HN} 7.742 0.050 0.050 {157.N} 124.505 0.050 0.050 {158.HA2} 4.064 0.050 0.050 617596.62500 30567.50000 1 0 570 {157.HN} 7.738 0.050 0.050 {157.N} 124.512 0.050 0.050 {158.HA1} 4.030 0.050 0.050 734111.25000 38188.25000 1 0 571 {150.HN} 8.448 0.050 0.050 {150.N} 118.259 0.050 0.050 {147.HA1} 3.853 0.050 0.050 1246710.31250 55697.06250 1 0 572 {148.HN} 7.749 0.050 0.050 {148.N} 120.953 0.050 0.050 {147.HA1} 3.853 0.050 0.050 1336441.56250 58361.00000 1 0 573 {148.HN} 7.745 0.050 0.050 {148.N} 120.953 0.050 0.050 {144.HB1} 2.137 0.050 0.050 1375585.68750 77971.81250 1 0 574 {147.HN} 7.999 0.050 0.050 {147.N} 105.666 0.050 0.050 {144.HA} 4.040 0.050 0.050 1280830.50000 55040.00000 1 0 581 {143.HN} 8.086 0.050 0.050 {143.N} 115.386 0.050 0.050 {142.HB2} 1.146 0.050 0.050 1054751.18750 47980.56250 1 0 582 {142.HN} 8.626 0.050 0.050 {142.N} 118.929 0.050 0.050 {142.HB2} 1.149 0.050 0.050 1126997.06250 52188.75000 1 0 584 {141.HN} 8.081 0.050 0.050 {141.N} 120.807 0.050 0.050 {142.HB1} 2.195 0.050 0.050 2453894.50000 110435.37500 1 0 587 {138.HN} 7.772 0.050 0.050 {138.N} 121.678 0.050 0.050 {135.HD2#} 0.696 0.050 0.050 405490.87500 20195.31250 1 0 590 {136.HN} 8.615 0.050 0.050 {136.N} 120.904 0.050 0.050 {135.HB2} 1.182 0.050 0.050 789632.75000 35928.87500 1 0 591 {136.HN} 8.616 0.050 0.050 {136.N} 120.883 0.050 0.050 {133.HA} 4.112 0.050 0.050 1233114.18750 54700.31250 1 0 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . H 1 H-aliphatic . folded 4261.4 Hz . . . 4.76 . . 34513 3 2 . . C 13 C-aliphatic . folded 15290.5 Hz . . . 41.7 . . 34513 3 3 . . H 1 H . folded 9505.7 Hz . . . 4.76 . . 34513 3 stop_ save_