data_30506 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure for Sp1 transcription factor duplex 5'-d(TGGGCGGGA) ; _BMRB_accession_number 30506 _BMRB_flat_file_name bmr30506.str _Entry_type original _Submission_date 2018-08-09 _Accession_date 2018-08-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Davis E. V. . 2 Hennig M. . . 3 Arya D. P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 spectral_peak_list 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-05 original BMRB . stop_ _Original_release_date 2018-10-12 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; An NMR Structure Determination and Analysis of Four Sp1 Consensus Sequences ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Davis E. V. . 2 Hennig M. . . 3 Arya D. P. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name "Sp1 transcription factor duplex 5'-d(TGGGCGGGA)" _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common entity_1 _Molecular_mass 2836.859 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 9 _Mol_residue_sequence ; TGGGCGGGA ; loop_ _Residue_seq_code _Residue_label 1 DT 2 DG 3 DG 4 DG 5 DC 6 DG 7 DG 8 DG 9 DA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common entity_2 _Molecular_mass 2636.739 _Mol_thiol_state 'not present' _Details . _Residue_count 9 _Mol_residue_sequence ; TCCCGCCCA ; loop_ _Residue_seq_code _Residue_label 1 DT 2 DC 3 DC 4 DC 5 DG 6 DC 7 DC 8 DC 9 DA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'chemical synthesis' . . . . . $entity_2 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '650 uM DNA, 25 mM sodium chloride, 5 mM Na Phosphate, 0.5 mM EDTA, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 650 uM 'natural abundance' $entity_2 650 uM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' 'Na Phosphate' 5 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '675 uM DNA, 25 mM sodium chloride, 5 mM Na Phosphate, 0.5 mM EDTA, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 675 uM 'natural abundance' $entity_2 675 uM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' 'Na Phosphate' 5 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version 3.97 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name AMBER _Version 14.0 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_5 _Saveframe_category software _Name 3DNA _Version . loop_ _Vendor _Address _Electronic_address Lu . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_ECOSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D ECOSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 30 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'internal indirect water' loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water H 1 protons ppm 4.76 internal indirect . . . 1.0 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D DQF-COSY' '2D 1H-1H TOCSY' '2D 1H-13C HSQC' '2D 1H-1H NOESY' '2D ECOSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 DT H1' H 5.872 0.001 . 2 1 1 DT H2' H 1.733 0.001 . 3 1 1 DT H2'' H 2.184 0.001 . 4 1 1 DT H3' H 4.600 0.001 . 5 1 1 DT H4' H 4.022 0.001 . 6 1 1 DT H5' H 3.649 0.000 . 7 1 1 DT H5'' H 3.635 0.003 . 8 1 1 DT H6 H 7.343 0.001 . 9 2 2 DG H1' H 5.580 0.001 . 10 2 2 DG H2' H 2.751 0.000 . 11 2 2 DG H2'' H 2.819 0.002 . 12 2 2 DG H3' H 4.964 0.001 . 13 2 2 DG H4' H 4.404 0.000 . 14 2 2 DG H5' H 4.027 0.000 . 15 2 2 DG H5'' H 3.960 0.001 . 16 2 2 DG H8 H 7.972 0.001 . 17 3 3 DG H1' H 5.739 0.001 . 18 3 3 DG H2' H 2.665 0.001 . 19 3 3 DG H2'' H 2.765 0.002 . 20 3 3 DG H3' H 5.016 0.000 . 21 3 3 DG H4' H 4.196 0.003 . 22 3 3 DG H8 H 7.786 0.002 . 23 4 4 DG H1' H 5.706 0.002 . 24 4 4 DG H2' H 2.571 0.002 . 25 4 4 DG H2'' H 2.751 0.001 . 26 4 4 DG H3' H 5.004 0.002 . 27 4 4 DG H4' H 4.426 0.001 . 28 4 4 DG H5'' H 4.201 0.000 . 29 4 4 DG H8 H 7.769 0.002 . 30 5 5 DC H1' H 5.706 0.002 . 31 5 5 DC H2' H 1.876 0.001 . 32 5 5 DC H2'' H 2.312 0.001 . 33 5 5 DC H3' H 4.844 0.000 . 34 5 5 DC H4' H 4.206 0.001 . 35 5 5 DC H5 H 5.290 0.001 . 36 5 5 DC H5' H 4.122 0.002 . 37 5 5 DC H5'' H 3.984 0.001 . 38 5 5 DC H6 H 7.251 0.001 . 39 6 6 DG H1' H 5.504 0.001 . 40 6 6 DG H2' H 2.628 0.001 . 41 6 6 DG H2'' H 2.698 0.002 . 42 6 6 DG H3' H 4.964 0.003 . 43 6 6 DG H4' H 4.306 0.003 . 44 6 6 DG H5' H 4.089 0.000 . 45 6 6 DG H5'' H 4.092 0.004 . 46 6 6 DG H8 H 7.828 0.001 . 47 7 7 DG H1' H 5.629 0.001 . 48 7 7 DG H2' H 2.523 0.002 . 49 7 7 DG H2'' H 2.660 0.003 . 50 7 7 DG H3' H 4.973 0.003 . 51 7 7 DG H4' H 4.341 0.002 . 52 7 7 DG H5'' H 4.116 0.000 . 53 7 7 DG H8 H 7.688 0.000 . 54 8 8 DG H1' H 5.673 0.002 . 55 8 8 DG H2' H 2.475 0.000 . 56 8 8 DG H2'' H 2.625 0.001 . 57 8 8 DG H3' H 4.954 0.000 . 58 8 8 DG H4' H 4.313 0.001 . 59 8 8 DG H5' H 4.214 0.002 . 60 8 8 DG H8 H 7.688 0.001 . 61 9 9 DA H1' H 6.358 0.001 . 62 9 9 DA H2' H 2.456 0.003 . 63 9 9 DA H2'' H 2.632 0.002 . 64 9 9 DA H3' H 4.698 0.002 . 65 9 9 DA H4' H 4.249 0.001 . 66 9 9 DA H5' H 4.212 0.000 . 67 9 9 DA H5'' H 4.133 0.003 . 68 9 9 DA H8 H 8.176 0.001 . stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D DQF-COSY' '2D 1H-1H TOCSY' '2D 1H-13C HSQC' '2D 1H-1H NOESY' '2D ECOSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 10 1 DT H1' H 6.151 0.001 . 2 10 1 DT H2' H 2.239 0.001 . 3 10 1 DT H2'' H 2.578 0.002 . 4 10 1 DT H3' H 4.763 0.001 . 5 10 1 DT H4' H 4.171 0.000 . 6 10 1 DT H5' H 4.173 0.000 . 7 10 1 DT H5'' H 4.106 0.001 . 8 10 1 DT H6 H 7.594 0.001 . 9 11 2 DC H1' H 6.067 0.001 . 10 11 2 DC H2' H 2.299 0.001 . 11 11 2 DC H2'' H 2.531 0.002 . 12 11 2 DC H3' H 4.876 0.002 . 13 11 2 DC H4' H 4.259 0.000 . 14 11 2 DC H5 H 5.871 0.001 . 15 11 2 DC H6 H 7.728 0.002 . 16 12 3 DC H1' H 5.997 0.001 . 17 12 3 DC H2' H 2.182 0.001 . 18 12 3 DC H2'' H 2.482 0.001 . 19 12 3 DC H3' H 4.867 0.002 . 20 12 3 DC H4' H 4.219 0.001 . 21 12 3 DC H5 H 5.688 0.001 . 22 12 3 DC H6 H 7.574 0.001 . 23 13 4 DC H1' H 5.584 0.002 . 24 13 4 DC H2' H 2.090 0.001 . 25 13 4 DC H2'' H 2.412 0.001 . 26 13 4 DC H3' H 4.861 0.002 . 27 13 4 DC H4' H 4.333 0.001 . 28 13 4 DC H5 H 5.655 0.001 . 29 13 4 DC H5' H 4.133 0.002 . 30 13 4 DC H5'' H 4.055 0.003 . 31 13 4 DC H6 H 7.472 0.000 . 32 14 5 DG H1' H 5.914 0.001 . 33 14 5 DG H2' H 2.738 0.002 . 34 14 5 DG H2'' H 2.698 0.000 . 35 14 5 DG H3' H 4.997 0.001 . 36 14 5 DG H4' H 4.391 0.001 . 37 14 5 DG H5' H 4.131 0.000 . 38 14 5 DG H5'' H 4.058 0.001 . 39 14 5 DG H8 H 7.928 0.001 . 40 15 6 DC H1' H 5.958 0.000 . 41 15 6 DC H2' H 2.161 0.001 . 42 15 6 DC H2'' H 2.498 0.001 . 43 15 6 DC H3' H 4.790 0.000 . 44 15 6 DC H4' H 4.261 0.000 . 45 15 6 DC H5 H 5.382 0.001 . 46 15 6 DC H5' H 4.196 0.000 . 47 15 6 DC H5'' H 4.162 0.000 . 48 15 6 DC H6 H 7.393 0.001 . 49 16 7 DC H1' H 5.904 0.000 . 50 16 7 DC H2' H 2.061 0.000 . 51 16 7 DC H2'' H 2.386 0.001 . 52 16 7 DC H3' H 4.797 0.003 . 53 16 7 DC H4' H 4.018 0.000 . 54 16 7 DC H5 H 5.632 0.001 . 55 16 7 DC H6 H 7.530 0.002 . 56 17 8 DC H1' H 5.866 0.001 . 57 17 8 DC H2' H 2.072 0.003 . 58 17 8 DC H2'' H 2.334 0.001 . 59 17 8 DC H3' H 4.812 0.001 . 60 17 8 DC H4' H 4.083 0.002 . 61 17 8 DC H5 H 5.754 0.000 . 62 17 8 DC H5' H 4.018 0.000 . 63 17 8 DC H5'' H 4.019 0.000 . 64 17 8 DC H6 H 7.526 0.001 . 65 18 9 DA H1' H 6.362 0.001 . 66 18 9 DA H2' H 2.505 0.003 . 67 18 9 DA H2'' H 2.698 0.002 . 68 18 9 DA H3' H 4.709 0.002 . 69 18 9 DA H4' H 4.205 0.002 . 70 18 9 DA H5'' H 4.153 0.000 . 71 18 9 DA H8 H 8.291 0.001 . stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details ; Tolbert BS, et al. 2010 J Biomol NMR 205-219. tocsy peaks, combined XEASY peak list. ; _Experiment_label '2D 1H-1H TOCSY' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H H 2 H H stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>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 30506 >> _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.Experiment_ID 2 >> _Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _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 >>; >>Tolbert BS, et al. 2010 J Biomol NMR 205-219. >>tocsy peaks, combined XEASY peak list. >>; >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 2 >> 1 5.872 2.184 1 U 1.24e+007 0 e 0 1 2 >> 2 5.872 1.734 1 U 3.21e+006 0 e 0 1 3 >> 3 5.873 4.600 1 U 1.86e+006 0 e 0 1 4 >> 4 5.875 4.021 1 U 7.8e+006 0 e 0 1 5 >> 5 5.873 7.343 1 U 5.68e+006 0 e 0 1 8 >> 6 5.873 3.959 1 U 2.73e+006 0 e 0 1 15 >> 7 2.184 5.872 1 U 1.9e+007 0 e 0 2 1 >> 8 2.183 1.732 1 U 4.36e+007 0 e 0 2 3 >> 9 2.184 4.600 1 U 1.05e+007 0 e 0 2 4 >> 10 2.184 4.023 1 U 3.47e+006 0 e 0 2 5 >> 11 2.185 7.344 1 U 6.93e+006 0 e 0 2 8 >> 12 2.183 3.959 1 U 3.74e+006 0 e 0 2 15 >> 13 2.184 7.972 1 U 4.03e+006 0 e 0 2 17 >> 14 1.733 2.183 1 U 4.63e+007 0 e 0 3 2 >> 15 1.733 4.600 1 U 2.04e+007 0 e 0 3 4 >> 16 1.732 4.022 1 U 2.34e+006 0 e 0 3 5 >> 17 1.731 3.632 1 U 1.8e+006 0 e 0 3 6 >> 18 1.732 7.343 1 U 2.76e+007 0 e 0 3 8 >> 19 1.735 7.972 1 U 2.96e+006 0 e 0 3 17 >> 20 4.598 5.871 1 U 1.8e+006 0 e 0 4 1 >> 21 4.599 2.182 1 U 7.6e+006 0 e 0 4 2 >> 22 4.599 1.732 1 U 1.37e+007 0 e 0 4 3 >> 23 4.600 4.021 1 U 1.24e+007 0 e 0 4 5 >> 24 4.600 7.342 1 U 3.81e+006 0 e 0 4 8 >> 25 4.600 7.971 1 U 2.69e+006 0 e 0 4 17 >> 26 4.025 2.184 1 U 2.34e+006 0 e 0 5 2 >> 27 4.022 4.600 1 U 1.06e+007 0 e 0 5 4 >> 28 4.022 7.342 1 U 1.6e+006 0 e 0 5 8 >> 29 3.637 1.731 1 U 2.45e+006 0 e 0 6 3 >> 30 3.639 4.600 1 U 1.25e+007 0 e 0 6 4 >> 31 7.343 5.872 1 U 4.64e+006 0 e 0 8 1 >> 32 7.344 2.185 1 U 3.71e+006 0 e 0 8 2 >> 33 7.343 1.732 1 U 1.39e+007 0 e 0 8 3 >> 34 7.344 4.601 1 U 3.01e+006 0 e 0 8 4 >> 35 7.342 4.021 1 U 1.45e+006 0 e 0 8 5 >> 36 7.344 3.633 1 U 1.85e+006 0 e 0 8 6 >> 37 7.345 3.649 1 U 1.79e+006 0 e 0 8 7 >> 38 7.344 1.584 1 U 2.5e+007 0 e 0 8 9 >> 39 7.344 1.584 1 U 2.5e+007 0 e 0 8 9 >> 40 1.583 5.869 1 U 9.55e+005 0 e 0 9 1 >> 41 1.584 7.344 1 U 2.53e+007 0 e 0 9 8 >> 42 5.580 2.821 1 U 1.34e+007 0 e 0 10 11 >> 43 5.580 2.751 1 U 6.22e+006 0 e 0 10 12 >> 44 5.582 4.963 1 U 3.33e+006 0 e 0 10 13 >> 45 5.580 7.971 1 U 3.31e+006 0 e 0 10 17 >> 46 5.580 7.787 1 U 4.48e+006 0 e 0 10 23 >> 47 2.821 5.580 1 U 1.94e+007 0 e 0 11 10 >> 48 2.820 4.964 1 U 1.81e+007 0 e 0 11 13 >> 49 2.817 7.971 1 U 1.64e+007 0 e 0 11 17 >> 50 2.819 7.787 1 U 7.5e+006 0 e 0 11 23 >> 51 2.751 5.580 1 U 8.38e+006 0 e 0 12 10 >> 52 4.966 5.580 1 U 2.88e+006 0 e 0 13 10 >> 53 4.965 7.971 1 U 4.93e+006 0 e 0 13 17 >> 54 3.960 2.183 1 U 2.52e+006 0 e 0 15 2 >> 55 3.961 7.971 1 U 1.59e+006 0 e 0 15 17 >> 56 4.027 7.971 1 U 2.75e+006 0 e 0 16 17 >> 57 7.976 5.872 1 U 5.99e+005 0 e 0 17 1 >> 58 7.972 2.184 1 U 1.87e+006 0 e 0 17 2 >> 59 7.972 1.735 1 U 1.14e+006 0 e 0 17 3 >> 60 7.972 4.601 1 U 1.67e+006 0 e 0 17 4 >> 61 7.971 5.580 1 U 2.72e+006 0 e 0 17 10 >> 62 7.971 2.817 1 U 9.33e+006 0 e 0 17 11 >> 63 7.971 4.964 1 U 4.11e+006 0 e 0 17 13 >> 64 7.972 4.027 1 U 1.83e+006 0 e 0 17 16 >> 65 5.738 2.767 1 U 1.5e+007 0 e 0 18 19 >> 66 5.739 2.666 1 U 6.22e+006 0 e 0 18 20 >> 67 5.738 5.016 1 U 3.99e+006 0 e 0 18 21 >> 68 5.738 4.198 1 U 4.32e+006 0 e 0 18 22 >> 69 5.739 7.771 1 U 5.96e+006 0 e 0 18 30 >> 70 2.767 5.738 1 U 2.01e+007 0 e 0 19 18 >> 71 2.765 2.665 1 U 3.66e+007 0 e 0 19 20 >> 72 2.666 5.739 1 U 9.44e+006 0 e 0 20 18 >> 73 2.668 4.191 1 U 2.55e+006 0 e 0 20 22 >> 74 2.664 7.785 1 U 2.93e+007 0 e 0 20 23 >> 75 4.198 5.740 1 U 5.81e+006 0 e 0 22 18 >> 76 7.787 5.580 1 U 4.19e+006 0 e 0 23 10 >> 77 7.787 2.819 1 U 4.4e+006 0 e 0 23 11 >> 78 7.781 2.762 1 U 1.81e+007 0 e 0 23 19 >> 79 7.785 2.664 1 U 2.03e+007 0 e 0 23 20 >> 80 5.936 2.750 1 U 1.91e+007 0 e 0 24 25 >> 81 5.940 2.572 1 U 6.18e+006 0 e 0 24 26 >> 82 5.941 4.427 1 U 6.4e+006 0 e 0 24 28 >> 83 5.940 7.249 1 U 3.6e+006 0 e 0 24 39 >> 84 2.750 5.936 1 U 2.06e+007 0 e 0 25 24 >> 85 2.751 2.572 1 U 4.15e+007 0 e 0 25 26 >> 86 2.752 4.426 1 U 3.2e+006 0 e 0 25 28 >> 87 2.753 7.252 1 U 1.15e+007 0 e 0 25 39 >> 88 2.572 5.940 1 U 9.01e+006 0 e 0 26 24 >> 89 2.566 2.750 1 U 4.02e+007 0 e 0 26 25 >> 90 2.572 5.002 1 U 2.3e+007 0 e 0 26 27 >> 91 2.568 4.428 1 U 3e+006 0 e 0 26 28 >> 92 2.572 7.768 1 U 2.49e+007 0 e 0 26 30 >> 93 2.571 5.290 1 U 4.11e+006 0 e 0 26 36 >> 94 2.573 7.249 1 U 5.6e+006 0 e 0 26 39 >> 95 5.004 5.937 1 U 3.56e+006 0 e 0 27 24 >> 96 5.004 2.574 1 U 1.49e+007 0 e 0 27 26 >> 97 5.006 4.425 1 U 1.7e+007 0 e 0 27 28 >> 98 5.008 7.772 1 U 5.87e+006 0 e 0 27 30 >> 99 5.002 7.251 1 U 1.56e+006 0 e 0 27 39 >> 100 4.426 5.940 1 U 5.63e+006 0 e 0 28 24 >> 101 4.201 7.770 1 U 3.01e+006 0 e 0 29 30 >> 102 7.768 2.572 1 U 1.63e+007 0 e 0 30 26 >> 103 7.768 5.291 1 U 2.76e+006 0 e 0 30 36 >> 104 5.705 2.312 1 U 1.51e+007 0 e 0 31 32 >> 105 5.706 1.877 1 U 4.49e+006 0 e 0 31 33 >> 106 5.708 4.844 1 U 2.68e+006 0 e 0 31 34 >> 107 5.705 3.983 1 U 2.19e+006 0 e 0 31 37 >> 108 5.702 4.123 1 U 1.09e+007 0 e 0 31 38 >> 109 5.705 7.250 1 U 3.08e+006 0 e 0 31 39 >> 110 5.707 7.828 1 U 2.06e+006 0 e 0 31 47 >> 111 2.312 5.705 1 U 2.55e+007 0 e 0 32 31 >> 112 2.313 1.875 1 U 4.32e+007 0 e 0 32 33 >> 113 2.311 4.843 1 U 1.39e+007 0 e 0 32 34 >> 114 2.313 3.984 1 U 4.18e+006 0 e 0 32 37 >> 115 2.311 4.117 1 U 6.93e+006 0 e 0 32 38 >> 116 2.312 7.252 1 U 1.02e+007 0 e 0 32 39 >> 117 2.311 7.827 1 U 9.43e+006 0 e 0 32 47 >> 118 1.877 5.706 1 U 7.33e+006 0 e 0 33 31 >> 119 1.876 2.313 1 U 4.29e+007 0 e 0 33 32 >> 120 1.875 4.843 1 U 2.13e+007 0 e 0 33 34 >> 121 1.875 4.207 1 U 1.16e+006 0 e 0 33 35 >> 122 1.875 5.291 1 U 3.03e+006 0 e 0 33 36 >> 123 1.878 3.984 1 U 1.16e+006 0 e 0 33 37 >> 124 1.876 4.123 1 U 3.86e+006 0 e 0 33 38 >> 125 1.875 7.251 1 U 2.84e+007 0 e 0 33 39 >> 126 1.876 7.829 1 U 7.73e+006 0 e 0 33 47 >> 127 4.843 5.705 1 U 2.68e+006 0 e 0 34 31 >> 128 4.844 1.875 1 U 1.29e+007 0 e 0 34 33 >> 129 4.844 7.251 1 U 4.66e+006 0 e 0 34 39 >> 130 4.844 7.829 1 U 2.23e+006 0 e 0 34 47 >> 131 4.207 7.249 1 U 1.79e+006 0 e 0 35 39 >> 132 5.290 2.571 1 U 2.21e+006 0 e 0 36 26 >> 133 5.290 7.768 1 U 2.36e+006 0 e 0 36 30 >> 134 5.291 1.875 1 U 1.32e+006 0 e 0 36 33 >> 135 5.290 7.249 1 U 2.03e+007 0 e 0 36 39 >> 136 3.985 5.706 1 U 2.61e+006 0 e 0 37 31 >> 137 4.123 7.250 1 U 3.17e+006 0 e 0 38 39 >> 138 7.252 2.753 1 U 9.57e+006 0 e 0 39 25 >> 139 7.252 2.572 1 U 4.45e+006 0 e 0 39 26 >> 140 7.251 5.706 1 U 3.51e+006 0 e 0 39 31 >> 141 7.252 2.312 1 U 6.82e+006 0 e 0 39 32 >> 142 7.251 1.875 1 U 1.9e+007 0 e 0 39 33 >> 143 7.252 4.843 1 U 5.01e+006 0 e 0 39 34 >> 144 7.250 4.205 1 U 1.85e+006 0 e 0 39 35 >> 145 7.250 5.291 1 U 3.04e+007 0 e 0 39 36 >> 146 7.251 4.123 1 U 3.29e+006 0 e 0 39 38 >> 147 7.251 7.829 1 U 1.33e+006 0 e 0 39 47 >> 148 5.505 2.700 1 U 1.4e+007 0 e 0 40 41 >> 149 5.505 2.629 1 U 6.96e+006 0 e 0 40 42 >> 150 5.504 4.965 1 U 4.19e+006 0 e 0 40 43 >> 151 5.504 4.304 1 U 6.86e+006 0 e 0 40 44 >> 152 5.504 4.097 1 U 3.68e+006 0 e 0 40 45 >> 153 5.503 7.829 1 U 3.65e+006 0 e 0 40 47 >> 154 5.504 7.687 1 U 4.54e+006 0 e 0 40 54 >> 155 2.700 5.505 1 U 1.98e+007 0 e 0 41 40 >> 156 2.698 4.304 1 U 2.84e+006 0 e 0 41 44 >> 157 2.698 4.090 1 U 3.72e+006 0 e 0 41 45 >> 158 2.696 7.826 1 U 2.09e+007 0 e 0 41 47 >> 159 2.629 5.505 1 U 1.03e+007 0 e 0 42 40 >> 160 2.628 4.310 1 U 5.83e+006 0 e 0 42 44 >> 161 2.627 7.829 1 U 3.52e+007 0 e 0 42 47 >> 162 2.629 7.688 1 U 2.26e+007 0 e 0 42 54 >> 163 4.966 5.505 1 U 4.09e+006 0 e 0 43 40 >> 164 4.961 2.629 1 U 2.53e+007 0 e 0 43 42 >> 165 4.959 4.309 1 U 2.37e+007 0 e 0 43 44 >> 166 4.967 4.089 1 U 1.86e+007 0 e 0 43 45 >> 167 4.966 7.829 1 U 5.12e+006 0 e 0 43 47 >> 168 4.304 3.983 1 U 2.17e+007 0 e 0 44 37 >> 169 4.305 5.504 1 U 5.95e+006 0 e 0 44 40 >> 170 4.303 7.829 1 U 1.04e+006 0 e 0 44 47 >> 171 4.089 7.830 1 U 1.55e+006 0 e 0 46 47 >> 172 7.824 5.709 1 U 2.48e+006 0 e 0 47 31 >> 173 7.827 2.311 1 U 5.81e+006 0 e 0 47 32 >> 174 7.829 1.876 1 U 4.01e+006 0 e 0 47 33 >> 175 7.828 7.250 1 U 1.32e+006 0 e 0 47 39 >> 176 7.829 5.504 1 U 3.5e+006 0 e 0 47 40 >> 177 7.826 2.696 1 U 1.77e+007 0 e 0 47 41 >> 178 7.829 2.627 1 U 2.24e+007 0 e 0 47 42 >> 179 7.829 4.964 1 U 5.36e+006 0 e 0 47 43 >> 180 5.628 2.661 1 U 1.15e+007 0 e 0 48 49 >> 181 5.628 2.520 1 U 5.84e+006 0 e 0 48 50 >> 182 5.630 4.975 1 U 3.45e+006 0 e 0 48 51 >> 183 5.629 4.342 1 U 6.29e+006 0 e 0 48 52 >> 184 5.631 7.688 1 U 6.21e+006 0 e 0 48 54 >> 185 2.661 5.628 1 U 1.95e+007 0 e 0 49 48 >> 186 2.665 2.523 1 U 4.68e+007 0 e 0 49 50 >> 187 2.659 4.342 1 U 2.96e+006 0 e 0 49 52 >> 188 2.656 7.687 1 U 2.76e+007 0 e 0 49 54 >> 189 2.520 5.628 1 U 1.08e+007 0 e 0 50 48 >> 190 2.526 2.660 1 U 4.13e+007 0 e 0 50 49 >> 191 2.524 4.976 1 U 2.37e+007 0 e 0 50 51 >> 192 2.525 4.342 1 U 2.75e+006 0 e 0 50 52 >> 193 2.523 7.688 1 U 3.71e+007 0 e 0 50 54 >> 194 4.975 5.629 1 U 3.56e+006 0 e 0 51 48 >> 195 4.975 2.522 1 U 1.63e+007 0 e 0 51 50 >> 196 4.969 4.336 1 U 2.74e+007 0 e 0 51 52 >> 197 4.968 7.688 1 U 1.09e+007 0 e 0 51 54 >> 198 4.341 5.629 1 U 6.32e+006 0 e 0 52 48 >> 199 4.116 5.629 1 U 5.29e+006 0 e 0 53 48 >> 200 7.687 5.505 1 U 4.39e+006 0 e 0 54 40 >> 201 7.688 2.629 1 U 1.23e+007 0 e 0 54 42 >> 202 7.687 5.628 1 U 6.78e+006 0 e 0 54 48 >> 203 7.687 2.656 1 U 1.43e+007 0 e 0 54 49 >> 204 7.688 2.523 1 U 2.37e+007 0 e 0 54 50 >> 205 7.688 4.971 1 U 7.87e+006 0 e 0 54 51 >> 206 7.687 4.342 1 U 1.5e+006 0 e 0 54 52 >> 207 5.673 2.626 1 U 1.53e+007 0 e 0 55 56 >> 208 5.669 2.474 1 U 8.43e+006 0 e 0 55 57 >> 209 5.674 4.313 1 U 7.34e+006 0 e 0 55 59 >> 210 5.677 4.213 1 U 3.45e+006 0 e 0 55 60 >> 211 5.674 8.175 1 U 3.15e+006 0 e 0 55 69 >> 212 2.626 5.673 1 U 2.37e+007 0 e 0 56 55 >> 213 2.624 4.212 1 U 2.83e+006 0 e 0 56 60 >> 214 2.474 5.669 1 U 1.29e+007 0 e 0 57 55 >> 215 2.475 4.313 1 U 2.79e+006 0 e 0 57 59 >> 216 2.475 7.687 1 U 2.98e+007 0 e 0 57 61 >> 217 4.954 5.673 1 U 3.09e+006 0 e 0 58 55 >> 218 4.954 8.174 1 U 1.69e+006 0 e 0 58 69 >> 219 4.315 5.673 1 U 6.19e+006 0 e 0 59 55 >> 220 4.216 5.673 1 U 4.09e+006 0 e 0 60 55 >> 221 7.689 5.672 1 U 3.4e+006 0 e 0 61 55 >> 222 7.687 2.475 1 U 1.92e+007 0 e 0 61 57 >> 223 7.688 4.311 1 U 1.53e+006 0 e 0 61 59 >> 224 6.357 2.631 1 U 3.82e+006 0 e 0 62 63 >> 225 6.358 2.455 1 U 1.43e+007 0 e 0 62 64 >> 226 6.358 4.703 1 U 3.23e+006 0 e 0 62 65 >> 227 6.359 4.249 1 U 6.28e+006 0 e 0 62 66 >> 228 6.358 8.175 1 U 3.94e+006 0 e 0 62 69 >> 229 2.631 6.357 1 U 7.5e+006 0 e 0 63 62 >> 230 2.635 4.697 1 U 2.09e+007 0 e 0 63 65 >> 231 2.631 8.176 1 U 3.47e+007 0 e 0 63 69 >> 232 2.455 6.358 1 U 2.8e+007 0 e 0 64 62 >> 233 2.455 4.697 1 U 9.62e+006 0 e 0 64 65 >> 234 2.453 4.248 1 U 4.49e+006 0 e 0 64 66 >> 235 2.460 8.175 1 U 9.83e+006 0 e 0 64 69 >> 236 4.701 6.359 1 U 3.54e+006 0 e 0 65 62 >> 237 4.696 2.633 1 U 1.29e+007 0 e 0 65 63 >> 238 4.696 2.454 1 U 6.98e+006 0 e 0 65 64 >> 239 4.696 4.249 1 U 1.1e+007 0 e 0 65 66 >> 240 4.696 8.175 1 U 5.46e+006 0 e 0 65 69 >> 241 4.136 8.175 1 U 1.64e+006 0 e 0 67 69 >> 242 8.176 5.672 1 U 3.13e+006 0 e 0 69 55 >> 243 8.176 6.358 1 U 4.31e+006 0 e 0 69 62 >> 244 8.176 2.631 1 U 2e+007 0 e 0 69 63 >> 245 8.175 2.460 1 U 5.97e+006 0 e 0 69 64 >> 246 8.177 4.697 1 U 5.37e+006 0 e 0 69 65 >> 247 8.178 4.250 1 U 1.05e+006 0 e 0 69 66 >> 248 8.177 4.131 1 U 1.54e+006 0 e 0 69 67 >> 249 8.177 4.212 1 U 1.18e+006 0 e 0 69 68 >> 250 6.151 2.580 1 U 1.32e+007 0 e 0 70 71 >> 251 6.151 4.171 1 U 5.24e+006 0 e 0 70 74 >> 252 6.151 4.106 1 U 5.47e+006 0 e 0 70 75 >> 253 6.150 7.594 1 U 5.55e+006 0 e 0 70 77 >> 254 6.152 7.724 1 U 2.02e+006 0 e 0 70 85 >> 255 2.580 6.151 1 U 2.24e+007 0 e 0 71 70 >> 256 2.578 2.240 1 U 4.22e+007 0 e 0 71 72 >> 257 2.580 4.107 1 U 6.01e+006 0 e 0 71 75 >> 258 2.580 4.173 1 U 2.51e+006 0 e 0 71 76 >> 259 2.575 7.595 1 U 8.21e+006 0 e 0 71 77 >> 260 2.239 2.576 1 U 4.54e+007 0 e 0 72 71 >> 261 2.236 4.764 1 U 2.25e+007 0 e 0 72 73 >> 262 2.239 4.171 1 U 2.46e+006 0 e 0 72 74 >> 263 2.239 7.593 1 U 3.25e+007 0 e 0 72 77 >> 264 2.238 7.726 1 U 4.31e+006 0 e 0 72 85 >> 265 4.762 6.152 1 U 1.5e+006 0 e 0 73 70 >> 266 4.763 2.575 1 U 5.8e+006 0 e 0 73 71 >> 267 4.763 2.239 1 U 1.14e+007 0 e 0 73 72 >> 268 4.763 7.594 1 U 3.72e+006 0 e 0 73 77 >> 269 4.764 7.729 1 U 1.51e+006 0 e 0 73 85 >> 270 4.105 6.151 1 U 5.67e+006 0 e 0 75 70 >> 271 4.173 6.151 1 U 4.13e+006 0 e 0 76 70 >> 272 7.593 6.151 1 U 4.59e+006 0 e 0 77 70 >> 273 7.595 2.575 1 U 4.75e+006 0 e 0 77 71 >> 274 7.593 2.239 1 U 1.66e+007 0 e 0 77 72 >> 275 7.593 1.780 1 U 2.63e+007 0 e 0 77 78 >> 276 1.780 7.593 1 U 2.6e+007 0 e 0 78 77 >> 277 6.067 2.531 1 U 1.42e+007 0 e 0 79 80 >> 278 6.066 2.299 1 U 4.98e+006 0 e 0 79 81 >> 279 6.069 4.876 1 U 3.38e+006 0 e 0 79 82 >> 280 6.068 4.259 1 U 9.1e+006 0 e 0 79 83 >> 281 6.068 7.730 1 U 3.92e+006 0 e 0 79 85 >> 282 6.068 7.574 1 U 3.36e+006 0 e 0 79 92 >> 283 2.531 6.067 1 U 2.4e+007 0 e 0 80 79 >> 284 2.531 2.299 1 U 4.31e+007 0 e 0 80 81 >> 285 2.527 4.259 1 U 3.92e+006 0 e 0 80 83 >> 286 2.535 7.729 1 U 1.3e+007 0 e 0 80 85 >> 287 2.299 6.066 1 U 6.6e+006 0 e 0 81 79 >> 288 2.298 2.531 1 U 4.04e+007 0 e 0 81 80 >> 289 2.297 4.876 1 U 2.34e+007 0 e 0 81 82 >> 290 2.298 4.259 1 U 2.8e+006 0 e 0 81 83 >> 291 2.298 7.729 1 U 3.72e+007 0 e 0 81 85 >> 292 2.300 7.576 1 U 4.46e+006 0 e 0 81 92 >> 293 4.875 6.067 1 U 3.05e+006 0 e 0 82 79 >> 294 4.877 2.530 1 U 9.72e+006 0 e 0 82 80 >> 295 4.871 2.299 1 U 1.72e+007 0 e 0 82 81 >> 296 4.878 4.259 1 U 1.52e+007 0 e 0 82 83 >> 297 4.876 7.729 1 U 5.36e+006 0 e 0 82 85 >> 298 4.259 6.067 1 U 8.19e+006 0 e 0 83 79 >> 299 4.259 7.730 1 U 1.4e+006 0 e 0 83 85 >> 300 5.872 7.730 1 U 2.63e+007 0 e 0 84 85 >> 301 7.726 6.150 1 U 2.17e+006 0 e 0 85 70 >> 302 7.726 2.238 1 U 3.35e+006 0 e 0 85 72 >> 303 7.729 6.066 1 U 3.67e+006 0 e 0 85 79 >> 304 7.729 2.298 1 U 2.48e+007 0 e 0 85 81 >> 305 7.730 4.876 1 U 6.15e+006 0 e 0 85 82 >> 306 7.728 4.259 1 U 1.71e+006 0 e 0 85 83 >> 307 7.729 5.870 1 U 3.82e+007 0 e 0 85 84 >> 308 7.727 5.688 1 U 2.61e+006 0 e 0 85 91 >> 309 5.998 2.483 1 U 1.72e+007 0 e 0 86 87 >> 310 5.997 2.183 1 U 7.03e+006 0 e 0 86 88 >> 311 5.997 4.866 1 U 4.15e+006 0 e 0 86 89 >> 312 5.997 4.219 1 U 1.1e+007 0 e 0 86 90 >> 313 5.996 7.573 1 U 3.86e+006 0 e 0 86 92 >> 314 5.998 7.472 1 U 2.65e+006 0 e 0 86 101 >> 315 2.483 5.998 1 U 2.59e+007 0 e 0 87 86 >> 316 2.483 4.865 1 U 1.96e+007 0 e 0 87 89 >> 317 2.481 7.574 1 U 1.22e+007 0 e 0 87 92 >> 318 2.482 7.472 1 U 1.05e+007 0 e 0 87 101 >> 319 2.183 5.997 1 U 9.01e+006 0 e 0 88 86 >> 320 2.181 4.866 1 U 2.51e+007 0 e 0 88 89 >> 321 2.181 4.217 1 U 3.42e+006 0 e 0 88 90 >> 322 2.181 5.687 1 U 3.59e+006 0 e 0 88 91 >> 323 2.181 7.573 1 U 3.24e+007 0 e 0 88 92 >> 324 2.181 5.654 1 U 5.02e+006 0 e 0 88 98 >> 325 2.182 7.471 1 U 5.05e+006 0 e 0 88 101 >> 326 4.867 2.483 1 U 1.22e+007 0 e 0 89 87 >> 327 4.867 2.182 1 U 1.7e+007 0 e 0 89 88 >> 328 4.866 4.219 1 U 2.15e+007 0 e 0 89 90 >> 329 4.871 5.689 1 U 1.98e+006 0 e 0 89 91 >> 330 4.869 7.574 1 U 7.13e+006 0 e 0 89 92 >> 331 4.866 5.655 1 U 1.8e+006 0 e 0 89 98 >> 332 4.220 5.998 1 U 9.5e+006 0 e 0 90 86 >> 333 4.220 7.574 1 U 1.58e+006 0 e 0 90 92 >> 334 5.687 2.181 1 U 2.76e+006 0 e 0 91 88 >> 335 5.688 7.574 1 U 2.19e+007 0 e 0 91 92 >> 336 7.573 6.067 1 U 3.1e+006 0 e 0 92 79 >> 337 7.576 2.300 1 U 2.7e+006 0 e 0 92 81 >> 338 7.572 5.995 1 U 4.34e+006 0 e 0 92 86 >> 339 7.574 2.481 1 U 8.57e+006 0 e 0 92 87 >> 340 7.573 2.181 1 U 2.33e+007 0 e 0 92 88 >> 341 7.575 4.868 1 U 7.06e+006 0 e 0 92 89 >> 342 7.574 4.219 1 U 1.69e+006 0 e 0 92 90 >> 343 7.573 5.687 1 U 3.24e+007 0 e 0 92 91 >> 344 5.585 2.412 1 U 1.68e+007 0 e 0 93 94 >> 345 5.585 2.092 1 U 4.86e+006 0 e 0 93 95 >> 346 5.584 4.860 1 U 3.53e+006 0 e 0 93 96 >> 347 5.583 4.332 1 U 5.8e+006 0 e 0 93 97 >> 348 5.585 4.053 1 U 2.26e+006 0 e 0 93 99 >> 349 5.585 4.134 1 U 1.29e+007 0 e 0 93 100 >> 350 5.581 7.473 1 U 3.53e+006 0 e 0 93 101 >> 351 5.585 7.928 1 U 3.39e+006 0 e 0 93 109 >> 352 2.412 5.585 1 U 2.91e+007 0 e 0 94 93 >> 353 2.413 2.088 1 U 5.31e+007 0 e 0 94 95 >> 354 2.413 4.861 1 U 1.83e+007 0 e 0 94 96 >> 355 2.413 4.058 1 U 4.02e+006 0 e 0 94 99 >> 356 2.411 7.472 1 U 1.38e+007 0 e 0 94 101 >> 357 2.412 7.928 1 U 1.02e+007 0 e 0 94 109 >> 358 2.092 5.585 1 U 7.57e+006 0 e 0 95 93 >> 359 2.090 2.411 1 U 5.15e+007 0 e 0 95 94 >> 360 2.092 4.860 1 U 2.42e+007 0 e 0 95 96 >> 361 2.091 5.656 1 U 4.4e+006 0 e 0 95 98 >> 362 2.090 7.472 1 U 3.92e+007 0 e 0 95 101 >> 363 2.090 7.927 1 U 6.39e+006 0 e 0 95 109 >> 364 4.862 5.586 1 U 3.03e+006 0 e 0 96 93 >> 365 4.864 2.414 1 U 1.12e+007 0 e 0 96 94 >> 366 4.857 2.089 1 U 1.48e+007 0 e 0 96 95 >> 367 4.863 7.472 1 U 6.97e+006 0 e 0 96 101 >> 368 4.862 7.930 1 U 2.14e+006 0 e 0 96 109 >> 369 4.334 5.580 1 U 4.91e+006 0 e 0 97 93 >> 370 5.654 2.181 1 U 3.43e+006 0 e 0 98 88 >> 371 5.656 2.091 1 U 2.33e+006 0 e 0 98 95 >> 372 5.657 7.472 1 U 2.72e+007 0 e 0 98 101 >> 373 4.050 5.583 1 U 2.58e+006 0 e 0 99 93 >> 374 4.135 5.585 1 U 1.16e+007 0 e 0 100 93 >> 375 7.472 5.997 1 U 3.16e+006 0 e 0 101 86 >> 376 7.472 2.482 1 U 7.68e+006 0 e 0 101 87 >> 377 7.471 2.182 1 U 3.91e+006 0 e 0 101 88 >> 378 7.472 5.585 1 U 4.27e+006 0 e 0 101 93 >> 379 7.472 2.411 1 U 9.43e+006 0 e 0 101 94 >> 380 7.472 2.090 1 U 2.63e+007 0 e 0 101 95 >> 381 7.472 4.861 1 U 8.59e+006 0 e 0 101 96 >> 382 7.471 5.655 1 U 3.86e+007 0 e 0 101 98 >> 383 7.472 4.130 1 U 2.91e+006 0 e 0 101 100 >> 384 7.471 7.928 1 U 1.29e+006 0 e 0 101 109 >> 385 5.915 2.735 1 U 1.77e+007 0 e 0 102 104 >> 386 5.914 4.390 1 U 6.92e+006 0 e 0 102 106 >> 387 5.915 7.929 1 U 4.14e+006 0 e 0 102 109 >> 388 5.916 7.393 1 U 5.57e+006 0 e 0 102 118 >> 389 2.698 7.928 1 U 3.48e+007 0 e 0 103 109 >> 390 2.740 4.393 1 U 3.88e+006 0 e 0 104 106 >> 391 2.737 7.393 1 U 1.03e+007 0 e 0 104 118 >> 392 4.996 5.915 1 U 3.76e+006 0 e 0 105 102 >> 393 4.998 7.929 1 U 4.99e+006 0 e 0 105 109 >> 394 4.999 5.385 1 U 1.01e+006 0 e 0 105 115 >> 395 4.995 7.391 1 U 1.47e+006 0 e 0 105 118 >> 396 4.392 4.057 1 U 2.1e+007 0 e 0 106 99 >> 397 4.392 5.914 1 U 5.87e+006 0 e 0 106 102 >> 398 4.391 7.930 1 U 1.19e+006 0 e 0 106 109 >> 399 4.059 7.928 1 U 1.55e+006 0 e 0 107 109 >> 400 4.131 7.929 1 U 2.4e+006 0 e 0 108 109 >> 401 7.930 5.585 1 U 2.62e+006 0 e 0 109 93 >> 402 7.928 2.412 1 U 5.13e+006 0 e 0 109 94 >> 403 7.927 2.090 1 U 3.27e+006 0 e 0 109 95 >> 404 7.927 7.472 1 U 1.26e+006 0 e 0 109 101 >> 405 7.927 5.913 1 U 3.6e+006 0 e 0 109 102 >> 406 7.928 2.698 1 U 2.11e+007 0 e 0 109 103 >> 407 7.928 4.997 1 U 5.62e+006 0 e 0 109 105 >> 408 7.929 4.390 1 U 1.02e+006 0 e 0 109 106 >> 409 7.926 4.057 1 U 1.22e+006 0 e 0 109 107 >> 410 7.929 5.381 1 U 3.53e+006 0 e 0 109 115 >> 411 5.958 2.498 1 U 1.48e+007 0 e 0 110 111 >> 412 5.958 2.160 1 U 5.14e+006 0 e 0 110 112 >> 413 2.498 5.958 1 U 2.14e+007 0 e 0 111 110 >> 414 2.497 7.393 1 U 8.34e+006 0 e 0 111 118 >> 415 2.499 7.533 1 U 8.94e+006 0 e 0 111 125 >> 416 2.160 5.958 1 U 7.96e+006 0 e 0 112 110 >> 417 2.161 5.381 1 U 2.94e+006 0 e 0 112 115 >> 418 2.161 7.393 1 U 2.45e+007 0 e 0 112 118 >> 419 2.162 5.632 1 U 4.68e+006 0 e 0 112 124 >> 420 2.158 7.530 1 U 9.05e+006 0 e 0 112 125 >> 421 4.791 5.959 1 U 2.72e+006 0 e 0 113 110 >> 422 4.790 2.497 1 U 6.72e+006 0 e 0 113 111 >> 423 4.790 2.162 1 U 1.08e+007 0 e 0 113 112 >> 424 4.790 7.393 1 U 5.43e+006 0 e 0 113 118 >> 425 4.791 5.631 1 U 2.64e+006 0 e 0 113 124 >> 426 4.261 7.392 1 U 2.26e+006 0 e 0 114 118 >> 427 5.383 2.740 1 U 4.75e+006 0 e 0 115 104 >> 428 5.383 7.929 1 U 3.08e+006 0 e 0 115 109 >> 429 5.381 2.161 1 U 1.36e+006 0 e 0 115 112 >> 430 5.383 7.393 1 U 2.37e+007 0 e 0 115 118 >> 431 7.394 5.913 1 U 6.11e+006 0 e 0 118 102 >> 432 7.393 2.737 1 U 8.13e+006 0 e 0 118 104 >> 433 7.392 5.958 1 U 3.42e+006 0 e 0 118 110 >> 434 7.393 2.497 1 U 5.89e+006 0 e 0 118 111 >> 435 7.393 2.161 1 U 1.66e+007 0 e 0 118 112 >> 436 7.395 4.260 1 U 1.97e+006 0 e 0 118 114 >> 437 7.393 5.382 1 U 3.37e+007 0 e 0 118 115 >> 438 7.393 4.162 1 U 3.02e+006 0 e 0 118 116 >> 439 7.392 4.196 1 U 1.83e+006 0 e 0 118 117 >> 440 7.392 5.631 1 U 2.72e+006 0 e 0 118 124 >> 441 5.904 2.387 1 U 1.41e+007 0 e 0 119 120 >> 442 5.904 2.061 1 U 5.83e+006 0 e 0 119 121 >> 443 2.387 5.904 1 U 2.7e+007 0 e 0 120 119 >> 444 2.387 4.018 1 U 7.15e+006 0 e 0 120 123 >> 445 2.061 5.904 1 U 8.93e+006 0 e 0 121 119 >> 446 2.061 5.632 1 U 3.22e+006 0 e 0 121 124 >> 447 4.795 5.905 1 U 3.01e+006 0 e 0 122 119 >> 448 4.800 5.754 1 U 2.21e+006 0 e 0 122 131 >> 449 5.632 2.162 1 U 3.04e+006 0 e 0 124 112 >> 450 5.631 7.392 1 U 1.87e+006 0 e 0 124 118 >> 451 5.632 2.061 1 U 1.42e+006 0 e 0 124 121 >> 452 5.633 7.529 1 U 2.2e+007 0 e 0 124 125 >> 453 7.530 5.958 1 U 2.29e+006 0 e 0 125 110 >> 454 7.533 2.499 1 U 7.93e+006 0 e 0 125 111 >> 455 7.528 5.904 1 U 5.12e+006 0 e 0 125 119 >> 456 7.529 5.631 1 U 3.44e+007 0 e 0 125 124 >> 457 5.867 2.334 1 U 1.68e+007 0 e 0 126 127 >> 458 5.865 2.075 1 U 5.67e+006 0 e 0 126 128 >> 459 5.868 8.290 1 U 1.74e+006 0 e 0 126 141 >> 460 2.334 5.867 1 U 3.05e+007 0 e 0 127 126 >> 461 2.335 2.076 1 U 4.3e+007 0 e 0 127 128 >> 462 2.332 4.081 1 U 6.84e+006 0 e 0 127 130 >> 463 2.333 7.525 1 U 1.22e+007 0 e 0 127 134 >> 464 2.334 8.291 1 U 4.81e+006 0 e 0 127 141 >> 465 2.075 5.865 1 U 8.89e+006 0 e 0 128 126 >> 466 2.075 2.333 1 U 4.3e+007 0 e 0 128 127 >> 467 2.073 4.812 1 U 2.49e+007 0 e 0 128 129 >> 468 2.074 4.085 1 U 6.21e+006 0 e 0 128 130 >> 469 2.068 5.754 1 U 7.01e+006 0 e 0 128 131 >> 470 2.070 4.018 1 U 4.99e+006 0 e 0 128 133 >> 471 2.068 7.527 1 U 6.18e+007 0 e 0 128 134 >> 472 2.075 8.292 1 U 3.52e+006 0 e 0 128 141 >> 473 4.811 5.865 1 U 2.82e+006 0 e 0 129 126 >> 474 4.810 2.070 1 U 1.79e+007 0 e 0 129 128 >> 475 4.810 4.081 1 U 2.1e+007 0 e 0 129 130 >> 476 4.813 4.018 1 U 2.07e+007 0 e 0 129 133 >> 477 4.814 8.290 1 U 1.38e+006 0 e 0 129 141 >> 478 4.086 7.527 1 U 5.01e+006 0 e 0 130 134 >> 479 5.754 2.068 1 U 3.08e+006 0 e 0 131 128 >> 480 5.755 7.524 1 U 2.84e+007 0 e 0 131 134 >> 481 4.019 7.524 1 U 3.85e+006 0 e 0 132 134 >> 482 7.527 2.385 1 U 9.74e+006 0 e 0 134 120 >> 483 7.526 5.866 1 U 3.89e+006 0 e 0 134 126 >> 484 7.525 2.333 1 U 7.86e+006 0 e 0 134 127 >> 485 7.527 2.068 1 U 4.15e+007 0 e 0 134 128 >> 486 7.527 4.081 1 U 4.17e+006 0 e 0 134 130 >> 487 7.526 5.754 1 U 4.13e+007 0 e 0 134 131 >> 488 7.526 4.017 1 U 4.13e+006 0 e 0 134 133 >> 489 6.361 2.695 1 U 3.2e+006 0 e 0 135 136 >> 490 6.361 2.504 1 U 1.48e+007 0 e 0 135 137 >> 491 6.363 8.291 1 U 4.81e+006 0 e 0 135 141 >> 492 2.695 6.361 1 U 6.17e+006 0 e 0 136 135 >> 493 2.699 4.710 1 U 1.58e+007 0 e 0 136 138 >> 494 2.700 8.294 1 U 2.07e+007 0 e 0 136 141 >> 495 2.504 6.361 1 U 2.65e+007 0 e 0 137 135 >> 496 2.501 4.203 1 U 9.18e+006 0 e 0 137 139 >> 497 2.503 4.153 1 U 6.68e+006 0 e 0 137 140 >> 498 2.507 8.290 1 U 6.25e+006 0 e 0 137 141 >> 499 4.711 2.700 1 U 1.14e+007 0 e 0 138 136 >> 500 4.709 2.509 1 U 4.51e+006 0 e 0 138 137 >> 501 4.706 4.207 1 U 1.44e+007 0 e 0 138 139 >> 502 4.711 8.290 1 U 6.35e+006 0 e 0 138 141 >> 503 8.292 5.868 1 U 1.54e+006 0 e 0 141 126 >> 504 8.291 2.334 1 U 2.65e+006 0 e 0 141 127 >> 505 8.292 2.075 1 U 1.69e+006 0 e 0 141 128 >> 506 8.292 6.362 1 U 4.56e+006 0 e 0 141 135 >> 507 8.294 2.700 1 U 1.17e+007 0 e 0 141 136 >> 508 8.290 2.507 1 U 3.27e+006 0 e 0 141 137 >> 509 8.292 4.709 1 U 4.79e+006 0 e 0 141 138 >> 510 8.291 4.204 1 U 1.07e+006 0 e 0 141 139 >>; >> >> 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 . . 8064.516 Hz . . . 4.705 . . 30506 1 >> 2 . . H 1 H . . 8064.516 Hz . . . 4.705 . . 30506 1 >> >> stop_ >> >>save_ >> ; save_