data_30484 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure for Sp1 transcription factor duplex 5'-d(GGGGCGGGA) ; _BMRB_accession_number 30484 _BMRB_flat_file_name bmr30484.str _Entry_type original _Submission_date 2018-06-25 _Accession_date 2018-06-25 _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" 138 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-06-26 original BMRB . stop_ _Original_release_date 2018-06-29 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(GGGGCGGGA)" _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 2861.872 _Mol_thiol_state 'not present' _Details 'DNA duplex chain A' ############################## # Polymer residue sequence # ############################## _Residue_count 9 _Mol_residue_sequence ; GGGGCGGGA ; loop_ _Residue_seq_code _Residue_label 1 DG 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 2612.714 _Mol_thiol_state 'not present' _Details 'DNA duplex chain B' _Residue_count 9 _Mol_residue_sequence ; TCCCGCCCC ; loop_ _Residue_seq_code _Residue_label 1 DT 2 DC 3 DC 4 DC 5 DG 6 DC 7 DC 8 DC 9 DC 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 '1.0 mM DNA, 25 mM NaCl, 5 mM Na Phosphate, 0.5 mM EDTA, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM 'natural abundance' $entity_2 1.0 mM 'natural abundance' NaCl 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 '810 uM DNA, 25 mM NaCl, 5 mM Na Phosphate, 0.5 mM EDTA, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 810 uM 'natural abundance' $entity_2 810 uM 'natural abundance' NaCl 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 DG H1' H 5.673 0.001 1 2 1 1 DG H2' H 2.475 0.001 . 3 1 1 DG H2'' H 2.632 0.002 . 4 1 1 DG H3' H 4.812 0.000 1 5 1 1 DG H4' H 4.314 0.001 1 6 1 1 DG H5'' H 3.669 0.001 . 7 1 1 DG H8 H 7.856 0.000 1 8 2 2 DG H1' H 5.668 0.002 1 9 2 2 DG H2' H 2.698 0.001 . 10 2 2 DG H2'' H 2.784 0.000 . 11 2 2 DG H3' H 5.001 0.002 1 12 2 2 DG H4' H 4.377 0.002 1 13 2 2 DG H5' H 4.138 0.000 . 14 2 2 DG H5'' H 3.991 0.000 . 15 2 2 DG H8 H 7.824 0.002 1 16 3 3 DG H1' H 5.792 0.001 1 17 3 3 DG H2' H 2.640 0.000 . 18 3 3 DG H2'' H 2.785 0.003 . 19 3 3 DG H3' H 5.020 0.001 1 20 3 3 DG H4' H 4.420 0.001 1 21 3 3 DG H5' H 4.204 0.002 . 22 3 3 DG H8 H 7.730 0.002 1 23 4 4 DG H1' H 5.918 0.002 1 24 4 4 DG H2' H 2.554 0.002 . 25 4 4 DG H2'' H 2.741 0.002 . 26 4 4 DG H3' H 4.995 0.002 1 27 4 4 DG H4' H 4.423 0.001 1 28 4 4 DG H5' H 4.218 0.000 . 29 4 4 DG H8 H 7.725 0.002 1 30 5 5 DC H1' H 5.702 0.002 1 31 5 5 DC H2' H 1.879 0.000 . 32 5 5 DC H2'' H 2.315 0.002 . 33 5 5 DC H3' H 4.846 0.001 1 34 5 5 DC H5 H 5.281 0.001 1 35 5 5 DC H5'' H 4.141 0.001 . 36 5 5 DC H6 H 7.249 0.001 1 37 6 6 DG H1' H 5.512 0.001 1 38 6 6 DG H2' H 2.629 0.002 . 39 6 6 DG H2'' H 2.701 0.002 . 40 6 6 DG H3' H 4.966 0.003 1 41 6 6 DG H4' H 4.311 0.002 1 42 6 6 DG H5' H 4.141 0.000 . 43 6 6 DG H5'' H 4.080 0.002 . 44 6 6 DG H8 H 7.828 0.002 1 45 7 7 DG H1' H 5.627 0.001 1 46 7 7 DG H2' H 2.525 0.002 . 47 7 7 DG H2'' H 2.661 0.002 . 48 7 7 DG H3' H 4.978 0.002 1 49 7 7 DG H4' H 4.342 0.001 1 50 7 7 DG H5'' H 4.124 0.000 . 51 7 7 DG H8 H 7.689 0.001 1 52 8 8 DG H1' H 5.672 0.002 1 53 8 8 DG H2'' H 2.635 0.001 . 54 8 8 DG H3' H 4.812 0.002 1 55 8 8 DG H4' H 4.343 0.000 1 56 8 8 DG H5' H 4.163 0.002 . 57 8 8 DG H5'' H 4.067 0.001 . 58 8 8 DG H8 H 7.688 0.000 1 59 9 9 DA H1' H 6.359 0.001 1 60 9 9 DA H2' H 2.456 0.003 . 61 9 9 DA H2'' H 2.631 0.002 . 62 9 9 DA H3' H 4.697 0.000 1 63 9 9 DA H4' H 4.247 0.002 1 64 9 9 DA H5' H 4.223 0.000 . 65 9 9 DA H5'' H 4.136 0.000 . 66 9 9 DA H8 H 8.176 0.001 1 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 1 2 10 1 DT H2' H 2.238 0.001 . 3 10 1 DT H2'' H 2.578 0.002 . 4 10 1 DT H3' H 4.763 0.002 1 5 10 1 DT H5' H 4.171 0.002 . 6 10 1 DT H5'' H 3.769 0.001 . 7 10 1 DT H6 H 7.592 0.001 1 8 11 2 DC H1' H 6.066 0.001 . 9 11 2 DC H2' H 2.297 0.001 . 10 11 2 DC H2'' H 2.528 0.001 . 11 11 2 DC H3' H 4.876 0.000 . 12 11 2 DC H4' H 4.258 0.001 . 13 11 2 DC H5 H 5.870 0.001 . 14 11 2 DC H5' H 4.207 0.002 . 15 11 2 DC H5'' H 4.106 0.001 . 16 11 2 DC H6 H 7.728 0.002 . 17 12 3 DC H1' H 5.995 0.000 . 18 12 3 DC H2' H 2.181 0.001 . 19 12 3 DC H2'' H 2.481 0.003 . 20 12 3 DC H3' H 4.865 0.001 . 21 12 3 DC H4' H 4.219 0.001 . 22 12 3 DC H5 H 5.686 0.001 . 23 12 3 DC H5' H 4.158 0.000 . 24 12 3 DC H5'' H 4.109 0.002 . 25 12 3 DC H6 H 7.572 0.001 . 26 13 4 DC H1' H 5.591 0.001 . 27 13 4 DC H2' H 2.081 0.001 . 28 13 4 DC H2'' H 2.408 0.001 . 29 13 4 DC H3' H 4.858 0.001 . 30 13 4 DC H5 H 5.651 0.001 . 31 13 4 DC H5' H 4.129 0.002 . 32 13 4 DC H5'' H 4.114 0.000 . 33 13 4 DC H6 H 7.465 0.001 . 34 14 5 DG H1' H 5.902 0.001 . 35 14 5 DG H2' H 2.691 0.001 . 36 14 5 DG H2'' H 2.722 0.002 . 37 14 5 DG H3' H 4.992 0.001 . 38 14 5 DG H4' H 4.386 0.001 . 39 14 5 DG H5' H 4.128 0.000 . 40 14 5 DG H5'' H 4.056 0.000 . 41 14 5 DG H8 H 7.921 0.001 . 42 15 6 DC H1' H 5.941 0.002 . 43 15 6 DC H2' H 2.213 0.003 . 44 15 6 DC H2'' H 2.497 0.000 . 45 15 6 DC H3' H 4.778 0.003 . 46 15 6 DC H4' H 4.211 0.003 . 47 15 6 DC H5 H 5.378 0.001 . 48 15 6 DC H5' H 4.254 0.000 . 49 15 6 DC H5'' H 4.168 0.000 . 50 15 6 DC H6 H 7.396 0.001 . 51 16 7 DC H1' H 5.903 0.002 . 52 16 7 DC H2' H 2.239 0.002 . 53 16 7 DC H2'' H 2.483 0.000 . 54 16 7 DC H3' H 4.810 0.002 . 55 16 7 DC H5 H 5.604 0.001 . 56 16 7 DC H6 H 7.568 0.001 . 57 17 8 DC H1' H 6.063 0.000 . 58 17 8 DC H2' H 2.244 0.001 . 59 17 8 DC H2'' H 2.488 0.001 . 60 17 8 DC H3' H 4.834 0.001 . 61 17 8 DC H5 H 5.746 0.001 . 62 17 8 DC H5' H 4.166 0.002 . 63 17 8 DC H5'' H 4.091 0.002 . 64 17 8 DC H6 H 7.644 0.001 . 65 18 9 DC H1' H 6.285 0.001 . 66 18 9 DC H2' H 2.300 0.001 . 67 18 9 DC H3' H 4.573 0.001 . 68 18 9 DC H4' H 4.067 0.001 . 69 18 9 DC H5 H 5.893 0.001 . 70 18 9 DC H5' H 4.158 0.002 . 71 18 9 DC H5'' H 4.064 0.000 . 72 18 9 DC H6 H 7.753 0.001 . stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details ; tocsy peaks, combined XEASY peak list. Tolbert BS, et al. 2010 J Biomol NMR 47 205-219. ; _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 30484 >> _Spectral_peak_list.ID 1 >> _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 >>; >>tocsy peaks, combined XEASY peak list. >>Tolbert BS, et al. 2010 J Biomol NMR 47 205-219. >>; >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 2 >> 1 5.674 2.630 1 U 3.22e+007 0 e 0 1 2 >> 2 5.672 2.476 1 U 1.49e+007 0 e 0 1 3 >> 3 5.675 4.313 1 U 9.91e+006 0 e 0 1 5 >> 4 5.673 7.856 1 U 5.75e+006 0 e 0 1 7 >> 5 2.630 5.672 1 U 5.39e+007 0 e 0 2 1 >> 6 2.632 3.668 1 U 2.53e+006 0 e 0 2 6 >> 7 2.475 5.672 1 U 2.14e+007 0 e 0 3 1 >> 8 2.477 4.314 1 U 3.42e+006 0 e 0 3 5 >> 9 2.474 3.668 1 U 6.24e+006 0 e 0 3 6 >> 10 2.474 7.856 1 U 3.05e+007 0 e 0 3 7 >> 11 2.475 7.820 1 U 4.2e+006 0 e 0 3 15 >> 12 4.812 7.856 1 U 3.84e+006 0 e 0 4 7 >> 13 4.315 5.674 1 U 7.65e+006 0 e 0 5 1 >> 14 4.316 2.477 1 U 2.23e+006 0 e 0 5 3 >> 15 3.670 2.634 1 U 2.94e+006 0 e 0 6 2 >> 16 3.669 2.475 1 U 6.42e+006 0 e 0 6 3 >> 17 3.669 7.856 1 U 5.5e+006 0 e 0 6 7 >> 18 7.856 2.475 1 U 1.43e+007 0 e 0 7 3 >> 19 5.666 5.002 1 U 4.79e+006 0 e 0 8 11 >> 20 5.666 4.374 1 U 8.61e+006 0 e 0 8 12 >> 21 5.671 7.822 1 U 7.21e+006 0 e 0 8 15 >> 22 5.672 7.732 1 U 6.65e+006 0 e 0 8 22 >> 23 2.699 5.665 1 U 1.05e+007 0 e 0 10 8 >> 24 2.698 7.824 1 U 5.36e+007 0 e 0 10 15 >> 25 5.004 5.665 1 U 4.22e+006 0 e 0 11 8 >> 26 4.999 4.378 1 U 2.7e+007 0 e 0 11 12 >> 27 4.376 5.666 1 U 7.69e+006 0 e 0 12 8 >> 28 4.381 4.998 1 U 3.07e+007 0 e 0 12 11 >> 29 4.376 7.821 1 U 1.37e+006 0 e 0 12 15 >> 30 7.829 5.668 1 U 6.99e+006 0 e 0 15 8 >> 31 7.825 2.784 1 U 1.33e+007 0 e 0 15 9 >> 32 7.824 2.697 1 U 3.97e+007 0 e 0 15 10 >> 33 7.822 5.004 1 U 6.07e+006 0 e 0 15 11 >> 34 7.825 4.374 1 U 1.54e+006 0 e 0 15 12 >> 35 7.824 4.138 1 U 2.4e+006 0 e 0 15 14 >> 36 5.796 2.787 1 U 1.6e+007 0 e 0 16 17 >> 37 5.792 2.640 1 U 7.33e+006 0 e 0 16 18 >> 38 5.792 5.021 1 U 3.99e+006 0 e 0 16 19 >> 39 5.793 4.420 1 U 9.14e+006 0 e 0 16 20 >> 40 5.792 4.203 1 U 5.15e+006 0 e 0 16 21 >> 41 5.791 7.729 1 U 8.52e+006 0 e 0 16 29 >> 42 2.787 5.791 1 U 2.43e+007 0 e 0 17 16 >> 43 2.781 4.421 1 U 4.94e+006 0 e 0 17 20 >> 44 2.780 4.206 1 U 4.9e+006 0 e 0 17 21 >> 45 2.785 7.731 1 U 3.53e+007 0 e 0 17 22 >> 46 2.641 5.791 1 U 1.04e+007 0 e 0 18 16 >> 47 2.641 5.021 1 U 2.49e+007 0 e 0 18 19 >> 48 2.640 4.420 1 U 3.34e+006 0 e 0 18 20 >> 49 2.641 7.733 1 U 3.57e+007 0 e 0 18 22 >> 50 5.021 5.792 1 U 3.85e+006 0 e 0 19 16 >> 51 5.021 2.640 1 U 1.53e+007 0 e 0 19 18 >> 52 4.420 5.791 1 U 8.29e+006 0 e 0 20 16 >> 53 4.418 2.640 1 U 2.4e+006 0 e 0 20 18 >> 54 4.419 5.019 1 U 2.03e+007 0 e 0 20 19 >> 55 4.421 7.729 1 U 3.07e+006 0 e 0 20 22 >> 56 4.204 5.791 1 U 7.26e+006 0 e 0 21 16 >> 57 4.205 2.785 1 U 5.84e+006 0 e 0 21 17 >> 58 4.199 5.019 1 U 2.04e+007 0 e 0 21 19 >> 59 4.205 4.423 1 U 8.21e+007 0 e 0 21 20 >> 60 7.728 5.669 1 U 4.8e+006 0 e 0 22 8 >> 61 7.728 5.791 1 U 8.44e+006 0 e 0 22 16 >> 62 7.730 2.787 1 U 2.15e+007 0 e 0 22 17 >> 63 7.729 2.640 1 U 2.18e+007 0 e 0 22 18 >> 64 7.731 5.019 1 U 7.04e+006 0 e 0 22 19 >> 65 5.913 2.737 1 U 2.35e+007 0 e 0 23 24 >> 66 5.920 2.556 1 U 6.47e+006 0 e 0 23 25 >> 67 5.920 4.425 1 U 7.72e+006 0 e 0 23 27 >> 68 5.920 7.248 1 U 4.42e+006 0 e 0 23 37 >> 69 2.741 5.917 1 U 2.88e+007 0 e 0 24 23 >> 70 2.744 7.249 1 U 1.43e+007 0 e 0 24 37 >> 71 2.555 5.920 1 U 9.64e+006 0 e 0 25 23 >> 72 2.555 2.740 1 U 4.28e+007 0 e 0 25 24 >> 73 2.551 4.993 1 U 2.91e+007 0 e 0 25 26 >> 74 2.552 7.726 1 U 4.2e+007 0 e 0 25 29 >> 75 2.555 7.248 1 U 6.22e+006 0 e 0 25 37 >> 76 4.994 7.249 1 U 1.88e+006 0 e 0 26 37 >> 77 4.422 5.920 1 U 7.03e+006 0 e 0 27 23 >> 78 4.218 2.740 1 U 4.28e+006 0 e 0 28 24 >> 79 7.720 5.916 1 U 3.48e+006 0 e 0 29 23 >> 80 7.725 2.741 1 U 8.42e+006 0 e 0 29 24 >> 81 7.725 2.552 1 U 2.29e+007 0 e 0 29 25 >> 82 7.727 4.999 1 U 7.02e+006 0 e 0 29 26 >> 83 7.725 5.280 1 U 3.61e+006 0 e 0 29 34 >> 84 5.702 2.314 1 U 1.7e+007 0 e 0 30 31 >> 85 5.704 1.879 1 U 5.29e+006 0 e 0 30 32 >> 86 5.702 4.846 1 U 3.95e+006 0 e 0 30 33 >> 87 5.699 4.146 1 U 1.41e+007 0 e 0 30 36 >> 88 5.702 7.249 1 U 4.09e+006 0 e 0 30 37 >> 89 2.315 5.702 1 U 2.96e+007 0 e 0 31 30 >> 90 2.315 4.845 1 U 1.52e+007 0 e 0 31 33 >> 91 2.311 4.147 1 U 7.26e+006 0 e 0 31 36 >> 92 2.315 7.249 1 U 1.14e+007 0 e 0 31 37 >> 93 2.316 7.829 1 U 1.01e+007 0 e 0 31 45 >> 94 1.879 5.704 1 U 8.44e+006 0 e 0 32 30 >> 95 1.879 2.316 1 U 4.51e+007 0 e 0 32 31 >> 96 1.879 4.846 1 U 2.51e+007 0 e 0 32 33 >> 97 1.879 5.280 1 U 3.77e+006 0 e 0 32 34 >> 98 1.879 4.145 1 U 4.18e+006 0 e 0 32 36 >> 99 1.879 7.249 1 U 3.34e+007 0 e 0 32 37 >> 100 1.879 7.829 1 U 8.46e+006 0 e 0 32 45 >> 101 4.849 5.701 1 U 3.6e+006 0 e 0 33 30 >> 102 4.847 1.879 1 U 1.5e+007 0 e 0 33 32 >> 103 4.847 7.249 1 U 5.8e+006 0 e 0 33 37 >> 104 5.282 2.555 1 U 2.53e+006 0 e 0 34 25 >> 105 5.281 7.726 1 U 2.91e+006 0 e 0 34 29 >> 106 5.281 1.878 1 U 1.62e+006 0 e 0 34 32 >> 107 5.281 7.248 1 U 2.61e+007 0 e 0 34 37 >> 108 4.139 7.249 1 U 3.33e+006 0 e 0 35 37 >> 109 4.144 5.703 1 U 1.16e+007 0 e 0 36 30 >> 110 4.142 1.879 1 U 2.55e+006 0 e 0 36 32 >> 111 7.250 5.920 1 U 4.9e+006 0 e 0 37 23 >> 112 7.250 2.742 1 U 1.05e+007 0 e 0 37 24 >> 113 7.249 2.557 1 U 4.77e+006 0 e 0 37 25 >> 114 7.250 4.996 1 U 2.28e+006 0 e 0 37 26 >> 115 7.249 7.724 1 U 1.69e+006 0 e 0 37 29 >> 116 7.250 5.703 1 U 4.13e+006 0 e 0 37 30 >> 117 7.250 2.315 1 U 7.19e+006 0 e 0 37 31 >> 118 7.250 1.879 1 U 2.06e+007 0 e 0 37 32 >> 119 7.250 4.846 1 U 6.35e+006 0 e 0 37 33 >> 120 7.250 5.280 1 U 3.65e+007 0 e 0 37 34 >> 121 7.251 4.142 1 U 3.05e+006 0 e 0 37 35 >> 122 7.250 7.829 1 U 1.58e+006 0 e 0 37 45 >> 123 5.511 2.702 1 U 1.34e+007 0 e 0 38 39 >> 124 5.513 2.631 1 U 7.03e+006 0 e 0 38 40 >> 125 5.513 4.968 1 U 4.34e+006 0 e 0 38 41 >> 126 5.512 4.310 1 U 7e+006 0 e 0 38 42 >> 127 5.512 7.829 1 U 3.83e+006 0 e 0 38 45 >> 128 5.513 7.688 1 U 4.65e+006 0 e 0 38 52 >> 129 2.703 5.512 1 U 2.2e+007 0 e 0 39 38 >> 130 2.697 4.970 1 U 2.19e+007 0 e 0 39 41 >> 131 2.702 4.309 1 U 3.53e+006 0 e 0 39 42 >> 132 2.630 5.512 1 U 1.12e+007 0 e 0 40 38 >> 133 2.630 4.963 1 U 4.09e+007 0 e 0 40 41 >> 134 2.628 4.311 1 U 7.82e+006 0 e 0 40 42 >> 135 2.630 7.828 1 U 4.52e+007 0 e 0 40 45 >> 136 4.969 5.511 1 U 4.59e+006 0 e 0 41 38 >> 137 4.964 2.630 1 U 2.73e+007 0 e 0 41 40 >> 138 4.962 4.311 1 U 3.29e+007 0 e 0 41 42 >> 139 4.311 5.512 1 U 5.99e+006 0 e 0 42 38 >> 140 4.314 2.628 1 U 4.44e+006 0 e 0 42 40 >> 141 4.314 4.963 1 U 2.71e+007 0 e 0 42 41 >> 142 4.308 7.829 1 U 1.05e+006 0 e 0 42 45 >> 143 4.081 7.826 1 U 2.54e+006 0 e 0 43 45 >> 144 4.141 7.823 1 U 3.08e+006 0 e 0 44 45 >> 145 7.825 5.705 1 U 1.9e+006 0 e 0 45 30 >> 146 7.830 2.317 1 U 5.48e+006 0 e 0 45 31 >> 147 7.829 1.879 1 U 4.19e+006 0 e 0 45 32 >> 148 7.828 4.845 1 U 3.07e+006 0 e 0 45 33 >> 149 7.829 7.249 1 U 1.39e+006 0 e 0 45 37 >> 150 7.829 5.511 1 U 3.85e+006 0 e 0 45 38 >> 151 7.831 2.630 1 U 2.85e+007 0 e 0 45 40 >> 152 7.830 4.967 1 U 5.84e+006 0 e 0 45 41 >> 153 7.830 4.309 1 U 1.54e+006 0 e 0 45 42 >> 154 7.827 4.078 1 U 1.84e+006 0 e 0 45 43 >> 155 5.628 2.661 1 U 1.5e+007 0 e 0 46 47 >> 156 5.627 2.522 1 U 7.44e+006 0 e 0 46 48 >> 157 5.627 4.978 1 U 4.19e+006 0 e 0 46 49 >> 158 5.627 4.343 1 U 7.71e+006 0 e 0 46 50 >> 159 5.629 7.688 1 U 7.2e+006 0 e 0 46 52 >> 160 2.662 5.627 1 U 2.45e+007 0 e 0 47 46 >> 161 2.663 4.981 1 U 2.9e+007 0 e 0 47 49 >> 162 2.664 4.343 1 U 3.92e+006 0 e 0 47 50 >> 163 2.527 5.626 1 U 1.17e+007 0 e 0 48 46 >> 164 2.527 4.980 1 U 3.01e+007 0 e 0 48 49 >> 165 2.525 4.343 1 U 3.34e+006 0 e 0 48 50 >> 166 2.521 7.688 1 U 4.2e+007 0 e 0 48 59 >> 167 4.975 5.627 1 U 4.13e+006 0 e 0 49 46 >> 168 4.978 4.343 1 U 1.63e+007 0 e 0 49 50 >> 169 4.341 5.628 1 U 7.58e+006 0 e 0 50 46 >> 170 4.340 2.658 1 U 2.53e+006 0 e 0 50 47 >> 171 4.340 2.526 1 U 2.38e+006 0 e 0 50 48 >> 172 4.124 7.688 1 U 4.77e+006 0 e 0 51 52 >> 173 7.687 5.512 1 U 4.93e+006 0 e 0 52 38 >> 174 7.692 2.624 1 U 1.26e+007 0 e 0 52 40 >> 175 7.688 5.627 1 U 8.29e+006 0 e 0 52 46 >> 176 7.689 2.659 1 U 1.73e+007 0 e 0 52 47 >> 177 7.690 2.524 1 U 2.66e+007 0 e 0 52 48 >> 178 7.688 4.974 1 U 9.37e+006 0 e 0 52 49 >> 179 5.673 4.809 1 U 4.21e+006 0 e 0 53 55 >> 180 5.673 4.068 1 U 4.97e+006 0 e 0 53 57 >> 181 5.671 4.165 1 U 9.35e+006 0 e 0 53 58 >> 182 5.676 8.176 1 U 4.12e+006 0 e 0 53 67 >> 183 2.636 4.812 1 U 1.83e+007 0 e 0 54 55 >> 184 4.811 5.671 1 U 3.15e+006 0 e 0 55 53 >> 185 4.812 2.634 1 U 1.27e+007 0 e 0 55 54 >> 186 4.815 4.165 1 U 3.83e+007 0 e 0 55 58 >> 187 4.066 5.671 1 U 5.11e+006 0 e 0 57 53 >> 188 4.160 5.669 1 U 1.05e+007 0 e 0 58 53 >> 189 7.688 4.343 1 U 1.99e+006 0 e 0 59 56 >> 190 7.688 8.176 1 U 1.09e+006 0 e 0 59 67 >> 191 6.359 2.628 1 U 5.82e+006 0 e 0 60 61 >> 192 6.359 2.454 1 U 1.94e+007 0 e 0 60 62 >> 193 6.359 4.697 1 U 2.89e+006 0 e 0 60 63 >> 194 6.360 4.249 1 U 8.43e+006 0 e 0 60 64 >> 195 6.360 8.176 1 U 5.49e+006 0 e 0 60 67 >> 196 2.632 6.358 1 U 1.05e+007 0 e 0 61 60 >> 197 2.633 4.698 1 U 2.59e+007 0 e 0 61 63 >> 198 2.631 8.176 1 U 4.57e+007 0 e 0 61 67 >> 199 2.453 6.359 1 U 3.72e+007 0 e 0 62 60 >> 200 2.454 4.698 1 U 1.29e+007 0 e 0 62 63 >> 201 2.454 4.249 1 U 5.73e+006 0 e 0 62 64 >> 202 2.461 8.176 1 U 1.31e+007 0 e 0 62 67 >> 203 4.697 6.358 1 U 3.07e+006 0 e 0 63 60 >> 204 4.697 2.633 1 U 1.57e+007 0 e 0 63 61 >> 205 4.697 2.456 1 U 8.98e+006 0 e 0 63 62 >> 206 4.697 4.249 1 U 1.49e+007 0 e 0 63 64 >> 207 4.697 4.136 1 U 1.11e+007 0 e 0 63 65 >> 208 4.697 8.176 1 U 7.2e+006 0 e 0 63 67 >> 209 4.247 6.359 1 U 8.24e+006 0 e 0 64 60 >> 210 4.242 4.697 1 U 1.39e+007 0 e 0 64 63 >> 211 4.136 4.698 1 U 1.39e+007 0 e 0 65 63 >> 212 4.136 8.176 1 U 2.39e+006 0 e 0 65 67 >> 213 4.223 8.176 1 U 2.03e+006 0 e 0 66 67 >> 214 8.177 5.674 1 U 4.13e+006 0 e 0 67 53 >> 215 8.177 7.689 1 U 1.41e+006 0 e 0 67 59 >> 216 8.176 6.359 1 U 5.52e+006 0 e 0 67 60 >> 217 8.177 2.631 1 U 2.51e+007 0 e 0 67 61 >> 218 8.177 2.461 1 U 7.69e+006 0 e 0 67 62 >> 219 8.177 4.698 1 U 6.2e+006 0 e 0 67 63 >> 220 8.178 4.248 1 U 1.3e+006 0 e 0 67 64 >> 221 8.177 4.135 1 U 1.83e+006 0 e 0 67 65 >> 222 6.150 2.579 1 U 1.65e+007 0 e 0 68 69 >> 223 6.152 4.760 1 U 1.38e+006 0 e 0 68 71 >> 224 6.151 4.171 1 U 6.89e+006 0 e 0 68 73 >> 225 6.150 7.593 1 U 7.05e+006 0 e 0 68 74 >> 226 6.151 4.105 1 U 6.81e+006 0 e 0 68 82 >> 227 6.152 7.728 1 U 1.91e+006 0 e 0 68 84 >> 228 2.580 6.150 1 U 2.8e+007 0 e 0 69 68 >> 229 2.577 4.763 1 U 1.16e+007 0 e 0 69 71 >> 230 2.580 4.173 1 U 2.4e+006 0 e 0 69 73 >> 231 2.577 7.593 1 U 9.9e+006 0 e 0 69 74 >> 232 2.239 2.577 1 U 5.71e+007 0 e 0 70 69 >> 233 2.239 3.769 1 U 3.91e+006 0 e 0 70 72 >> 234 2.237 7.592 1 U 4.52e+007 0 e 0 70 74 >> 235 2.238 5.870 1 U 4.18e+006 0 e 0 70 81 >> 236 4.761 6.151 1 U 2.18e+006 0 e 0 71 68 >> 237 4.764 7.593 1 U 5.14e+006 0 e 0 71 74 >> 238 4.760 5.870 1 U 1.79e+006 0 e 0 71 81 >> 239 4.765 7.729 1 U 2.1e+006 0 e 0 71 84 >> 240 3.769 2.239 1 U 3.89e+006 0 e 0 72 70 >> 241 3.769 4.763 1 U 2.11e+007 0 e 0 72 71 >> 242 3.767 4.171 1 U 4.08e+007 0 e 0 72 73 >> 243 3.769 7.593 1 U 9.31e+006 0 e 0 72 74 >> 244 4.172 6.151 1 U 5.03e+006 0 e 0 73 68 >> 245 4.166 2.574 1 U 2.92e+006 0 e 0 73 69 >> 246 7.592 6.150 1 U 6.13e+006 0 e 0 74 68 >> 247 7.593 2.577 1 U 5.7e+006 0 e 0 74 69 >> 248 7.589 4.765 1 U 5.42e+006 0 e 0 74 71 >> 249 7.591 5.869 1 U 2.08e+006 0 e 0 74 81 >> 250 6.067 4.259 1 U 1.12e+007 0 e 0 76 80 >> 251 6.067 7.729 1 U 4.59e+006 0 e 0 76 84 >> 252 6.065 4.105 1 U 3.63e+006 0 e 0 76 91 >> 253 6.067 7.572 1 U 4.17e+006 0 e 0 76 93 >> 254 2.526 4.876 1 U 2.2e+007 0 e 0 77 79 >> 255 2.528 4.258 1 U 4.39e+006 0 e 0 77 80 >> 256 2.296 2.530 1 U 5.56e+007 0 e 0 78 77 >> 257 2.296 4.259 1 U 3.49e+006 0 e 0 78 80 >> 258 2.296 5.871 1 U 5.07e+006 0 e 0 78 81 >> 259 2.296 4.107 1 U 5e+006 0 e 0 78 82 >> 260 2.297 7.730 1 U 4.72e+007 0 e 0 78 84 >> 261 4.875 2.527 1 U 1.35e+007 0 e 0 79 77 >> 262 4.875 4.259 1 U 1.96e+007 0 e 0 79 80 >> 263 4.875 7.728 1 U 6.86e+006 0 e 0 79 84 >> 264 4.259 6.066 1 U 1.06e+007 0 e 0 80 76 >> 265 4.259 2.297 1 U 2.19e+006 0 e 0 80 78 >> 266 4.255 4.876 1 U 1.77e+007 0 e 0 80 79 >> 267 5.867 4.763 1 U 1.21e+006 0 e 0 81 71 >> 268 5.871 7.593 1 U 1.62e+006 0 e 0 81 74 >> 269 5.870 7.729 1 U 3.12e+007 0 e 0 81 84 >> 270 4.105 6.150 1 U 7.19e+006 0 e 0 82 68 >> 271 4.107 4.258 1 U 6.74e+007 0 e 0 82 80 >> 272 4.106 7.729 1 U 5.97e+006 0 e 0 82 84 >> 273 4.204 7.729 1 U 5.13e+006 0 e 0 83 84 >> 274 7.727 6.151 1 U 1.92e+006 0 e 0 84 68 >> 275 7.733 6.065 1 U 5.12e+006 0 e 0 84 76 >> 276 7.728 4.876 1 U 8.26e+006 0 e 0 84 79 >> 277 7.727 4.258 1 U 2.14e+006 0 e 0 84 80 >> 278 7.727 5.870 1 U 5.02e+007 0 e 0 84 81 >> 279 7.725 4.106 1 U 5.46e+006 0 e 0 84 82 >> 280 7.728 4.209 1 U 3.68e+006 0 e 0 84 83 >> 281 5.994 2.479 1 U 1.85e+007 0 e 0 85 86 >> 282 5.994 2.181 1 U 6.8e+006 0 e 0 85 87 >> 283 5.995 4.865 1 U 4.65e+006 0 e 0 85 88 >> 284 5.994 4.108 1 U 5.37e+006 0 e 0 85 91 >> 285 5.994 7.573 1 U 4.64e+006 0 e 0 85 93 >> 286 5.995 7.464 1 U 3.15e+006 0 e 0 85 101 >> 287 2.479 5.995 1 U 2.5e+007 0 e 0 86 85 >> 288 2.484 4.865 1 U 1.86e+007 0 e 0 86 88 >> 289 2.480 7.464 1 U 1.06e+007 0 e 0 86 101 >> 290 2.181 5.995 1 U 9.75e+006 0 e 0 87 85 >> 291 2.180 4.865 1 U 2.85e+007 0 e 0 87 88 >> 292 2.182 5.686 1 U 4.74e+006 0 e 0 87 90 >> 293 2.183 7.572 1 U 4.11e+007 0 e 0 87 93 >> 294 2.178 5.650 1 U 5.14e+006 0 e 0 87 98 >> 295 2.179 7.464 1 U 6.06e+006 0 e 0 87 101 >> 296 4.866 5.995 1 U 4.35e+006 0 e 0 88 85 >> 297 4.866 2.181 1 U 1.79e+007 0 e 0 88 87 >> 298 4.861 4.218 1 U 2.31e+007 0 e 0 88 89 >> 299 4.868 5.689 1 U 2.73e+006 0 e 0 88 90 >> 300 4.868 4.108 1 U 5e+007 0 e 0 88 91 >> 301 4.868 7.573 1 U 8.75e+006 0 e 0 88 93 >> 302 4.864 5.650 1 U 2.04e+006 0 e 0 88 98 >> 303 4.220 4.863 1 U 2.06e+007 0 e 0 89 88 >> 304 5.685 2.529 1 U 3.87e+006 0 e 0 90 77 >> 305 5.686 7.572 1 U 2.79e+007 0 e 0 90 93 >> 306 4.109 6.065 1 U 4.51e+006 0 e 0 91 76 >> 307 4.113 5.995 1 U 6.58e+006 0 e 0 91 85 >> 308 4.111 7.571 1 U 5.85e+006 0 e 0 91 93 >> 309 4.157 7.570 1 U 6.27e+006 0 e 0 92 93 >> 310 7.571 6.065 1 U 4.07e+006 0 e 0 93 76 >> 311 7.573 2.300 1 U 2.99e+006 0 e 0 93 78 >> 312 7.572 5.995 1 U 4.8e+006 0 e 0 93 85 >> 313 7.570 2.485 1 U 2.16e+007 0 e 0 93 86 >> 314 7.572 2.181 1 U 2.75e+007 0 e 0 93 87 >> 315 7.573 4.867 1 U 8.78e+006 0 e 0 93 88 >> 316 7.572 5.686 1 U 4.16e+007 0 e 0 93 90 >> 317 7.572 4.108 1 U 5.16e+006 0 e 0 93 91 >> 318 7.571 4.158 1 U 5.4e+006 0 e 0 93 92 >> 319 5.591 2.408 1 U 1.63e+007 0 e 0 94 95 >> 320 5.591 2.082 1 U 4.87e+006 0 e 0 94 96 >> 321 5.592 4.859 1 U 3.68e+006 0 e 0 94 97 >> 322 5.591 7.920 1 U 3.3e+006 0 e 0 94 109 >> 323 2.408 5.590 1 U 3.03e+007 0 e 0 95 94 >> 324 2.408 4.858 1 U 1.75e+007 0 e 0 95 97 >> 325 2.409 4.130 1 U 6.94e+006 0 e 0 95 100 >> 326 2.407 7.464 1 U 1.5e+007 0 e 0 95 101 >> 327 2.408 7.920 1 U 1.06e+007 0 e 0 95 109 >> 328 2.082 5.590 1 U 8.4e+006 0 e 0 96 94 >> 329 2.081 2.406 1 U 5.04e+007 0 e 0 96 95 >> 330 2.081 4.858 1 U 2.52e+007 0 e 0 96 97 >> 331 2.080 5.650 1 U 4.89e+006 0 e 0 96 98 >> 332 2.080 4.129 1 U 4.36e+006 0 e 0 96 100 >> 333 2.080 7.464 1 U 4.21e+007 0 e 0 96 101 >> 334 2.080 7.920 1 U 6.68e+006 0 e 0 96 109 >> 335 4.857 5.590 1 U 3.45e+006 0 e 0 97 94 >> 336 4.857 2.407 1 U 1.01e+007 0 e 0 97 95 >> 337 4.857 2.081 1 U 1.5e+007 0 e 0 97 96 >> 338 4.856 4.131 1 U 4.34e+007 0 e 0 97 100 >> 339 4.859 7.464 1 U 7.66e+006 0 e 0 97 101 >> 340 4.857 7.920 1 U 2.7e+006 0 e 0 97 109 >> 341 5.652 2.081 1 U 2.1e+006 0 e 0 98 96 >> 342 5.652 7.464 1 U 2.75e+007 0 e 0 98 101 >> 343 4.114 7.464 1 U 3.84e+006 0 e 0 99 101 >> 344 4.125 2.407 1 U 4.6e+006 0 e 0 100 95 >> 345 7.465 5.995 1 U 3.54e+006 0 e 0 101 85 >> 346 7.466 2.479 1 U 8.43e+006 0 e 0 101 86 >> 347 7.466 2.180 1 U 4.21e+006 0 e 0 101 87 >> 348 7.466 5.590 1 U 4.34e+006 0 e 0 101 94 >> 349 7.466 2.407 1 U 1e+007 0 e 0 101 95 >> 350 7.466 2.081 1 U 2.72e+007 0 e 0 101 96 >> 351 7.467 4.860 1 U 9.32e+006 0 e 0 101 97 >> 352 7.465 5.650 1 U 4.26e+007 0 e 0 101 98 >> 353 7.466 4.128 1 U 3.02e+006 0 e 0 101 100 >> 354 5.902 4.386 1 U 6.53e+006 0 e 0 102 106 >> 355 5.903 7.919 1 U 3.65e+006 0 e 0 102 109 >> 356 2.722 7.397 1 U 1.31e+007 0 e 0 103 118 >> 357 4.992 7.920 1 U 5.7e+006 0 e 0 105 109 >> 358 4.992 7.396 1 U 1.92e+006 0 e 0 105 118 >> 359 4.385 5.901 1 U 5.77e+006 0 e 0 106 102 >> 360 4.386 7.919 1 U 1.12e+006 0 e 0 106 109 >> 361 4.056 7.920 1 U 1.38e+006 0 e 0 107 109 >> 362 4.128 7.920 1 U 2.36e+006 0 e 0 108 109 >> 363 7.921 5.590 1 U 3.23e+006 0 e 0 109 94 >> 364 7.921 2.408 1 U 5.8e+006 0 e 0 109 95 >> 365 7.921 2.081 1 U 3.55e+006 0 e 0 109 96 >> 366 7.921 4.857 1 U 2.74e+006 0 e 0 109 97 >> 367 7.921 7.464 1 U 1.57e+006 0 e 0 109 101 >> 368 7.920 5.903 1 U 4.12e+006 0 e 0 109 102 >> 369 7.923 2.719 1 U 1.66e+007 0 e 0 109 103 >> 370 7.921 2.690 1 U 2.27e+007 0 e 0 109 104 >> 371 7.921 4.993 1 U 6.31e+006 0 e 0 109 105 >> 372 7.921 4.387 1 U 1.47e+006 0 e 0 109 106 >> 373 7.922 4.055 1 U 1.53e+006 0 e 0 109 107 >> 374 7.921 4.129 1 U 2.28e+006 0 e 0 109 108 >> 375 7.920 5.377 1 U 4.17e+006 0 e 0 109 115 >> 376 5.937 2.216 1 U 5.96e+006 0 e 0 110 112 >> 377 2.497 5.942 1 U 2.49e+007 0 e 0 111 110 >> 378 2.496 7.397 1 U 1.05e+007 0 e 0 111 118 >> 379 2.213 5.942 1 U 1.08e+007 0 e 0 112 110 >> 380 2.211 5.378 1 U 3.63e+006 0 e 0 112 115 >> 381 2.211 7.397 1 U 3.15e+007 0 e 0 112 118 >> 382 4.777 5.942 1 U 3.26e+006 0 e 0 113 110 >> 383 4.776 4.213 1 U 1.28e+007 0 e 0 113 114 >> 384 4.776 7.397 1 U 7.39e+006 0 e 0 113 118 >> 385 4.783 5.605 1 U 2.5e+006 0 e 0 113 123 >> 386 4.207 4.780 1 U 1.33e+007 0 e 0 114 113 >> 387 5.379 7.920 1 U 3.14e+006 0 e 0 115 109 >> 388 5.379 2.214 1 U 1.58e+006 0 e 0 115 112 >> 389 5.379 7.397 1 U 2.62e+007 0 e 0 115 118 >> 390 7.396 5.902 1 U 6.03e+006 0 e 0 118 102 >> 391 7.396 2.724 1 U 8.86e+006 0 e 0 118 103 >> 392 7.396 2.692 1 U 4.77e+006 0 e 0 118 104 >> 393 7.397 4.993 1 U 2.11e+006 0 e 0 118 105 >> 394 7.396 5.941 1 U 3.94e+006 0 e 0 118 110 >> 395 7.397 2.497 1 U 6.44e+006 0 e 0 118 111 >> 396 7.397 2.211 1 U 1.76e+007 0 e 0 118 112 >> 397 7.396 4.212 1 U 1.88e+006 0 e 0 118 114 >> 398 7.395 5.377 1 U 3.55e+007 0 e 0 118 115 >> 399 7.397 4.168 1 U 4.04e+006 0 e 0 118 116 >> 400 7.396 4.254 1 U 2.13e+006 0 e 0 118 117 >> 401 7.396 5.605 1 U 3.05e+006 0 e 0 118 123 >> 402 5.903 2.242 1 U 7.08e+006 0 e 0 119 121 >> 403 5.901 7.643 1 U 3.87e+006 0 e 0 119 132 >> 404 2.483 5.905 1 U 3.38e+007 0 e 0 120 119 >> 405 2.239 5.905 1 U 1.34e+007 0 e 0 121 119 >> 406 2.236 4.809 1 U 2.21e+007 0 e 0 121 122 >> 407 4.810 5.904 1 U 3.43e+006 0 e 0 122 119 >> 408 4.807 2.240 1 U 1.58e+007 0 e 0 122 121 >> 409 4.813 5.746 1 U 2.57e+006 0 e 0 122 129 >> 410 5.604 2.218 1 U 2.88e+006 0 e 0 123 112 >> 411 5.604 7.396 1 U 2.43e+006 0 e 0 123 118 >> 412 5.604 7.569 1 U 2.75e+007 0 e 0 123 124 >> 413 7.567 5.942 1 U 3.69e+006 0 e 0 124 110 >> 414 7.568 5.906 1 U 4.62e+006 0 e 0 124 119 >> 415 7.569 5.605 1 U 4.49e+007 0 e 0 124 123 >> 416 6.063 4.165 1 U 1.28e+007 0 e 0 125 131 >> 417 6.063 7.643 1 U 4.42e+006 0 e 0 125 132 >> 418 2.488 4.164 1 U 3.13e+007 0 e 0 126 131 >> 419 2.486 7.643 1 U 2.05e+007 0 e 0 126 132 >> 420 2.490 7.753 1 U 6.93e+006 0 e 0 126 140 >> 421 2.245 5.746 1 U 8.45e+006 0 e 0 127 129 >> 422 2.243 4.167 1 U 1.31e+007 0 e 0 127 131 >> 423 4.832 7.643 1 U 1.35e+007 0 e 0 128 132 >> 424 4.834 7.753 1 U 3.86e+006 0 e 0 128 140 >> 425 5.746 2.244 1 U 3e+006 0 e 0 129 127 >> 426 5.746 7.643 1 U 2.77e+007 0 e 0 129 132 >> 427 4.094 4.167 1 U 1.93e+008 0 e 0 130 131 >> 428 4.089 7.643 1 U 2.98e+006 0 e 0 130 132 >> 429 4.163 6.062 1 U 1.62e+007 0 e 0 131 125 >> 430 4.163 2.487 1 U 2.4e+007 0 e 0 131 126 >> 431 4.165 2.244 1 U 9.46e+006 0 e 0 131 127 >> 432 4.170 5.743 1 U 1.47e+006 0 e 0 131 129 >> 433 4.167 7.643 1 U 5.13e+006 0 e 0 131 132 >> 434 7.643 5.900 1 U 4.76e+006 0 e 0 132 119 >> 435 7.645 6.062 1 U 5.29e+006 0 e 0 132 125 >> 436 7.644 4.836 1 U 1.21e+007 0 e 0 132 128 >> 437 7.644 5.746 1 U 5e+007 0 e 0 132 129 >> 438 7.647 4.091 1 U 2.8e+006 0 e 0 132 130 >> 439 7.644 4.168 1 U 4.85e+006 0 e 0 132 131 >> 440 6.286 4.572 1 U 2.44e+006 0 e 0 133 135 >> 441 6.286 4.067 1 U 8.05e+006 0 e 0 133 136 >> 442 6.286 7.754 1 U 4.51e+006 0 e 0 133 140 >> 443 2.301 4.067 1 U 1e+007 0 e 0 134 136 >> 444 2.298 7.750 1 U 3.67e+007 0 e 0 134 140 >> 445 4.573 6.285 1 U 2.93e+006 0 e 0 135 133 >> 446 4.573 2.298 1 U 1.59e+007 0 e 0 135 134 >> 447 4.573 4.065 1 U 1.72e+007 0 e 0 135 136 >> 448 4.574 5.894 1 U 1.12e+006 0 e 0 135 137 >> 449 4.573 7.753 1 U 1.36e+007 0 e 0 135 140 >> 450 4.065 6.285 1 U 9.35e+006 0 e 0 136 133 >> 451 4.069 2.301 1 U 8.08e+006 0 e 0 136 134 >> 452 4.063 4.572 1 U 2.02e+007 0 e 0 138 135 >> 453 4.064 7.754 1 U 4.79e+006 0 e 0 138 140 >> 454 4.156 4.572 1 U 6.05e+006 0 e 0 139 135 >> 455 4.160 7.752 1 U 3.34e+006 0 e 0 139 140 >> 456 7.750 4.835 1 U 4.38e+006 0 e 0 140 128 >> 457 7.753 6.285 1 U 4.18e+006 0 e 0 140 133 >> 458 7.753 4.572 1 U 1.11e+007 0 e 0 140 135 >> 459 7.754 5.893 1 U 4.04e+007 0 e 0 140 137 >> 460 7.753 4.064 1 U 3.48e+006 0 e 0 140 138 >>; >> >> 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 . . 30484 1 >> 2 . . H 1 H . . 8064.516 Hz . . . 4.705 . . 30484 1 >> >> stop_ >> >>save_ >> ; save_