data_30473 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure for Sp1 transcription factor duplex 5'-d(GGGGCGGGG) ; _BMRB_accession_number 30473 _BMRB_flat_file_name bmr30473.str _Entry_type original _Submission_date 2018-06-04 _Accession_date 2018-06-04 _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" 164 "13C chemical shifts" 70 "31P chemical shifts" 10 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-06-07 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 . _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(GGGGCGGGG)" _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 2877.871 _Mol_thiol_state 'not present' _Details 'Heterodimer Watson-Crick DNA duplex chain A' ############################## # Polymer residue sequence # ############################## _Residue_count 9 _Mol_residue_sequence ; GGGGCGGGG ; loop_ _Residue_seq_code _Residue_label 1 DG 2 DG 3 DG 4 DG 5 DC 6 DG 7 DG 8 DG 9 DG 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 2597.703 _Mol_thiol_state 'not present' _Details 'Heterodimer Watson-Crick DNA duplex chain B' _Residue_count 9 _Mol_residue_sequence ; CCCCGCCCC ; loop_ _Residue_seq_code _Residue_label 1 DC 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, 5.0 mM Na Phosphate 0.5 mM EDTA pH 7.0, 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' 5.0 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '680 uM DNA, 25 mM NaCl, 5.0 mM Na Phosphate 0.5 mM EDTA pH 7.0, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 680 uM 'natural abundance' $entity_2 680 uM 'natural abundance' NaCl 25 mM 'natural abundance' 'Na Phosphate' 5.0 mM 'natural abundance' EDTA 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _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_2 _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_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 AvanceII _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _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_ save_2D_PhCOSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D PhCOSY' _Sample_label $sample_1 save_ save_2D_PhTOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D PhTOCSY' _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 Hz 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 '3 percent were higher than 0.005 at less than or equal to 0.011 ppm' loop_ _Experiment_label '2D DQF-COSY' '2D 1H-1H TOCSY' '2D 1H-13C HSQC' '2D 1H-1H NOESY' '2D ECOSY' '2D PhCOSY' '2D PhTOCSY' 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 2.476 0.000 . 3 1 1 DG H2'' H 2.635 0.003 . 4 1 1 DG H3' H 4.812 0.002 1 5 1 1 DG H8 H 7.857 0.001 1 6 1 1 DG C1' C 85.527 0.000 1 7 1 1 DG C3' C 79.246 0.000 1 8 1 1 DG C8 C 139.091 0.000 1 9 2 2 DG H1 H 13.122 0.000 1 10 2 2 DG H1' H 5.667 0.002 1 11 2 2 DG H2'' H 2.785 0.004 . 12 2 2 DG H3' H 5.002 0.002 1 13 2 2 DG H4' H 4.375 0.001 1 14 2 2 DG H5'' H 4.070 0.002 . 15 2 2 DG H8 H 7.822 0.001 1 16 2 2 DG C1' C 84.467 0.000 1 17 2 2 DG C3' C 79.180 0.000 1 18 2 2 DG C8 C 138.085 0.000 1 19 2 2 DG P P -3.849 0.000 1 20 3 3 DG H1 H 13.130 0.006 1 21 3 3 DG H1' H 5.793 0.002 1 22 3 3 DG H2' H 2.640 0.002 . 23 3 3 DG H2'' H 2.784 0.002 . 24 3 3 DG H3' H 5.018 0.005 1 25 3 3 DG H4' H 4.420 0.001 1 26 3 3 DG H5' H 4.206 0.004 . 27 3 3 DG H8 H 7.730 0.002 1 28 3 3 DG C1' C 84.364 0.000 1 29 3 3 DG C3' C 79.179 0.000 1 30 3 3 DG C8 C 137.803 0.000 1 31 4 4 DG H1 H 13.007 0.010 1 32 4 4 DG H1' H 5.921 0.004 1 33 4 4 DG H2' H 2.554 0.001 . 34 4 4 DG H2'' H 2.745 0.005 . 35 4 4 DG H3' H 4.995 0.001 1 36 4 4 DG H4' H 4.424 0.003 1 37 4 4 DG H8 H 7.724 0.002 1 38 4 4 DG C1' C 84.629 0.000 1 39 4 4 DG C3' C 79.299 0.000 1 40 4 4 DG C8 C 137.511 0.000 1 41 4 4 DG P P -4.091 0.000 1 42 5 5 DC H1' H 5.705 0.002 1 43 5 5 DC H2' H 1.879 0.001 . 44 5 5 DC H2'' H 2.315 0.002 . 45 5 5 DC H3' H 4.846 0.001 1 46 5 5 DC H4' H 4.146 0.002 1 47 5 5 DC H5 H 5.275 0.007 1 48 5 5 DC H5' H 4.218 0.003 . 49 5 5 DC H5'' H 4.141 0.003 . 50 5 5 DC H6 H 7.248 0.002 1 51 5 5 DC H41 H 8.389 0.001 . 52 5 5 DC H42 H 6.373 0.001 . 53 5 5 DC C1' C 86.351 0.000 1 54 5 5 DC C3' C 76.984 0.000 1 55 5 5 DC C5 C 98.476 0.000 1 56 5 5 DC C6 C 142.388 0.000 1 57 6 6 DG H1 H 13.170 0.001 1 58 6 6 DG H1' H 5.504 0.001 1 59 6 6 DG H2' H 2.641 0.001 . 60 6 6 DG H2'' H 2.704 0.002 . 61 6 6 DG H3' H 4.969 0.001 1 62 6 6 DG H4' H 4.311 0.001 1 63 6 6 DG H5' H 4.148 0.002 . 64 6 6 DG H5'' H 4.082 0.005 . 65 6 6 DG H8 H 7.834 0.002 1 66 6 6 DG C1' C 84.247 0.000 1 67 6 6 DG C3' C 79.346 0.000 1 68 6 6 DG C4' C 87.259 0.000 1 69 6 6 DG C8 C 138.382 0.000 1 70 6 6 DG P P -3.885 0.000 1 71 7 7 DG H1 H 13.170 0.002 1 72 7 7 DG H1' H 5.639 0.003 1 73 7 7 DG H2' H 2.566 0.003 . 74 7 7 DG H2'' H 2.697 0.001 . 75 7 7 DG H3' H 4.983 0.005 1 76 7 7 DG H4' H 4.367 0.003 1 77 7 7 DG H5' H 4.142 0.000 . 78 7 7 DG H5'' H 4.102 0.006 . 79 7 7 DG H8 H 7.711 0.003 1 80 7 7 DG C1' C 84.347 0.000 1 81 7 7 DG C3' C 79.126 0.000 1 82 7 7 DG C8 C 137.892 0.000 1 83 8 8 DG H1 H 13.172 0.000 1 84 8 8 DG H1' H 5.759 0.001 1 85 8 8 DG H2' H 2.567 0.002 . 86 8 8 DG H2'' H 2.730 0.002 . 87 8 8 DG H3' H 4.971 0.004 1 88 8 8 DG H4' H 4.376 0.001 1 89 8 8 DG H5'' H 4.150 0.002 . 90 8 8 DG H8 H 7.696 0.003 1 91 8 8 DG C1' C 84.340 0.000 1 92 8 8 DG C3' C 78.841 0.000 1 93 8 8 DG C8 C 137.856 0.000 1 94 9 9 DG H1' H 6.154 0.001 1 95 9 9 DG H2' H 2.359 0.002 . 96 9 9 DG H2'' H 2.481 0.002 . 97 9 9 DG H3' H 4.638 0.001 1 98 9 9 DG H4' H 4.212 0.001 1 99 9 9 DG H5' H 4.232 0.003 . 100 9 9 DG H5'' H 4.128 0.004 . 101 9 9 DG H8 H 7.747 0.003 1 102 9 9 DG C1' C 84.855 0.000 1 103 9 9 DG C3' C 72.786 0.000 1 104 9 9 DG C4' C 87.714 0.000 1 105 9 9 DG C8 C 138.602 0.000 1 106 9 9 DG P P -3.819 0.000 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details '3 percent were higher than 0.005 at less than or equal to 0.011 ppm' loop_ _Experiment_label '2D DQF-COSY' '2D 1H-1H TOCSY' '2D 1H-13C HSQC' '2D 1H-1H NOESY' '2D ECOSY' '2D PhCOSY' '2D PhTOCSY' 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 DC H1' H 6.014 0.003 1 2 10 1 DC H2' H 2.195 0.002 . 3 10 1 DC H2'' H 2.575 0.003 . 4 10 1 DC H3' H 4.694 0.002 1 5 10 1 DC H4' H 4.148 0.002 1 6 10 1 DC H5 H 6.011 0.010 1 7 10 1 DC H5' H 3.830 0.004 . 8 10 1 DC H5'' H 3.789 0.001 . 9 10 1 DC H6 H 7.838 0.002 1 10 10 1 DC H42 H 6.876 0.000 . 11 10 1 DC C1' C 88.202 0.000 1 12 10 1 DC C3' C 77.277 0.000 1 13 10 1 DC C5 C 99.523 0.000 1 14 10 1 DC C6 C 143.155 0.000 1 15 11 2 DC H1' H 6.032 0.004 1 16 11 2 DC H2' H 2.262 0.002 . 17 11 2 DC H2'' H 2.503 0.002 . 18 11 2 DC H3' H 4.880 0.002 1 19 11 2 DC H4' H 4.234 0.001 1 20 11 2 DC H5 H 5.719 0.010 1 21 11 2 DC H5' H 4.234 0.000 . 22 11 2 DC H5'' H 4.088 0.003 . 23 11 2 DC H6 H 7.676 0.004 1 24 11 2 DC H41 H 8.463 0.001 . 25 11 2 DC H42 H 6.876 0.000 . 26 11 2 DC C1' C 87.041 0.000 1 27 11 2 DC C3' C 78.649 0.000 1 28 11 2 DC C4' C 86.315 0.000 1 29 11 2 DC C5 C 98.997 0.000 1 30 11 2 DC C6 C 143.415 0.000 1 31 11 2 DC P P -4.058 0.000 1 32 12 3 DC H1' H 6.000 0.002 1 33 12 3 DC H2' H 2.182 0.001 . 34 12 3 DC H2'' H 2.481 0.001 . 35 12 3 DC H3' H 4.870 0.001 1 36 12 3 DC H4' H 4.213 0.001 1 37 12 3 DC H5 H 5.674 0.011 1 38 12 3 DC H5' H 4.215 0.002 . 39 12 3 DC H5'' H 4.120 0.000 . 40 12 3 DC H6 H 7.554 0.003 1 41 12 3 DC H41 H 8.515 0.002 . 42 12 3 DC H42 H 6.790 0.000 . 43 12 3 DC C1' C 86.753 0.000 1 44 12 3 DC C3' C 78.392 0.000 1 45 12 3 DC C5 C 99.173 0.000 1 46 12 3 DC C6 C 143.364 0.000 1 47 12 3 DC P P -3.972 0.000 1 48 13 4 DC H1' H 5.583 0.001 1 49 13 4 DC H2' H 2.081 0.001 . 50 13 4 DC H2'' H 2.407 0.001 . 51 13 4 DC H3' H 4.857 0.001 1 52 13 4 DC H4' H 4.132 0.001 1 53 13 4 DC H5 H 5.660 0.010 1 54 13 4 DC H5' H 4.127 0.004 . 55 13 4 DC H5'' H 4.118 0.000 . 56 13 4 DC H6 H 7.462 0.002 1 57 13 4 DC H41 H 8.641 0.001 . 58 13 4 DC H42 H 6.859 0.001 . 59 13 4 DC C1' C 86.587 0.000 1 60 13 4 DC C3' C 77.309 0.000 1 61 13 4 DC C4' C 85.704 0.000 1 62 13 4 DC C5 C 99.042 0.000 1 63 13 4 DC C6 C 143.234 0.000 1 64 13 4 DC P P -3.812 0.000 1 65 14 5 DG H1 H 13.029 0.000 1 66 14 5 DG H1' H 5.906 0.004 1 67 14 5 DG H2' H 2.695 0.003 . 68 14 5 DG H2'' H 2.725 0.004 . 69 14 5 DG H3' H 4.996 0.002 1 70 14 5 DG H4' H 4.396 0.005 1 71 14 5 DG H5' H 4.136 0.002 . 72 14 5 DG H5'' H 4.068 0.002 . 73 14 5 DG H8 H 7.922 0.000 1 74 14 5 DG C1' C 84.481 0.000 1 75 14 5 DG C3' C 79.698 0.000 1 76 14 5 DG C8 C 138.139 0.000 1 77 14 5 DG P P -4.053 0.000 1 78 15 6 DC H1' H 5.943 0.002 1 79 15 6 DC H2' H 2.217 0.004 . 80 15 6 DC H2'' H 2.501 0.001 . 81 15 6 DC H3' H 4.778 0.004 1 82 15 6 DC H4' H 4.226 0.002 1 83 15 6 DC H5 H 5.381 0.007 1 84 15 6 DC H5' H 4.259 0.005 . 85 15 6 DC H5'' H 4.174 0.000 . 86 15 6 DC H6 H 7.399 0.002 1 87 15 6 DC H41 H 8.266 0.002 . 88 15 6 DC H42 H 6.414 0.001 . 89 15 6 DC C1' C 86.747 0.000 1 90 15 6 DC C3' C 76.627 0.000 1 91 15 6 DC C4' C 85.581 0.000 1 92 15 6 DC C5 C 98.353 0.000 1 93 15 6 DC C6 C 142.308 0.000 1 94 16 7 DC H1' H 5.904 0.003 1 95 16 7 DC H2' H 2.242 0.004 . 96 16 7 DC H2'' H 2.486 0.002 . 97 16 7 DC H3' H 4.803 0.006 1 98 16 7 DC H4' H 4.154 0.000 1 99 16 7 DC H5 H 5.609 0.009 1 100 16 7 DC H5' H 4.161 0.003 . 101 16 7 DC H5'' H 4.108 0.001 . 102 16 7 DC H6 H 7.570 0.003 1 103 16 7 DC H41 H 8.497 0.004 . 104 16 7 DC H42 H 6.780 0.004 . 105 16 7 DC C1' C 86.947 0.000 1 106 16 7 DC C3' C 76.019 0.000 1 107 16 7 DC C4' C 85.502 0.000 1 108 16 7 DC C5 C 98.692 0.000 1 109 16 7 DC C6 C 143.025 0.000 1 110 16 7 DC P P -4.043 0.000 1 111 17 8 DC H1' H 6.060 0.004 1 112 17 8 DC H2' H 2.255 0.003 . 113 17 8 DC H2'' H 2.493 0.003 . 114 17 8 DC H3' H 4.834 0.002 1 115 17 8 DC H4' H 4.166 0.001 1 116 17 8 DC H5 H 5.752 0.011 1 117 17 8 DC H5' H 4.167 0.001 . 118 17 8 DC H5'' H 4.094 0.006 . 119 17 8 DC H6 H 7.645 0.002 1 120 17 8 DC H41 H 8.575 0.001 . 121 17 8 DC H42 H 6.995 0.001 . 122 17 8 DC C1' C 86.986 0.000 1 123 17 8 DC C3' C 75.798 0.000 1 124 17 8 DC C5 C 86.986 0.000 1 125 17 8 DC C6 C 143.354 0.000 1 126 17 8 DC P P -4.001 0.000 1 127 18 9 DC H1' H 6.285 0.001 1 128 18 9 DC H3' H 4.572 0.001 1 129 18 9 DC H4' H 4.066 0.001 1 130 18 9 DC H5 H 5.897 0.009 1 131 18 9 DC H5' H 4.155 0.002 . 132 18 9 DC H5'' H 4.069 0.005 . 133 18 9 DC H6 H 7.755 0.004 1 134 18 9 DC C1' C 87.279 0.000 1 135 18 9 DC C3' C 72.083 0.000 1 136 18 9 DC C4' C 87.074 0.000 1 137 18 9 DC C5 C 99.096 0.000 1 138 18 9 DC C6 C 144.180 0.000 1 stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details ; COSY peaks, combined XEASY peak list. Tolbert BS, et al. 2010 J Biomol NMR 47 205-219. AMBER TUTORIAL A4: NMR Refinement of DNA and RNA Duplexes. ; _Experiment_label '2D DQF-COSY' _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 30473 >> _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 1 >> _Spectral_peak_list.Experiment_name '2D DQF-COSY' >> _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 >>; >>COSY peaks, combined XEASY peak list. >>Tolbert BS, et al. 2010 J Biomol NMR 47 205-219. >>AMBER TUTORIAL A4: NMR Refinement of DNA and RNA Duplexes. >>; >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 2 >># Number of peaks 605 >># FORMAT cyana3D >># INAME 1 H >># INAME 2 h >># CYANAFORMAT Hh >> 1 3.988 5.704 1 U 1.59e+06 0 e 0 0 0 0 >> 2 4.122 4.862 1 U 2.62e+07 0 e 0 0 0 0 >> 3 4.224 4.874 1 U 1.46e+07 0 e 0 0 0 0 >> 4 5.653 2.079 1 U 7.31e+05 0 e 0 0 0 0 >> 5 5.664 2.484 1 U 4.61e+06 0 e 0 0 0 0 >> 6 3.989 4.968 1 U 4.45e+06 0 e 0 0 0 0 >> 7 6.012 7.553 1 U 2.87e+06 0 e 0 0 0 0 >> 8 5.916 7.400 1 U 3.78e+06 0 e 0 0 0 0 >> 9 4.142 6.015 1 U 5.04e+06 0 e 0 0 0 0 >> 10 4.774 4.263 1 U 3.24e+06 0 e 0 0 0 0 >> 11 4.872 2.492 1 U 1e+07 0 e 0 0 0 0 >> 12 4.813 2.478 1 U 1.46e+07 0 e 0 0 0 0 >> 13 5.021 2.639 1 U 8.71e+06 0 e 0 0 0 0 >> 14 4.991 2.697 1 U 2.73e+07 0 e 0 0 0 0 >> 15 4.983 2.561 1 U 2.32e+07 0 e 0 0 0 0 >> 16 4.814 5.745 1 U 9.55e+05 0 e 0 0 0 0 >> 17 3.988 5.504 1 U 3.61e+05 0 e 0 0 0 0 >> 18 4.066 5.672 1 U 2.5e+06 0 e 0 0 0 0 >> 19 7.830 5.670 1 U 2.51e+06 0 e 0 0 0 0 >> 20 4.214 4.996 1 U 1.22e+07 0 e 0 0 0 0 >> 21 2.491 7.560 1 U 1.47e+07 0 e 0 0 0 0 >> 22 2.189 6.005 1 U 5.67e+06 0 e 0 0 0 0 >> 23 2.190 4.217 1 U 1.74e+06 0 e 0 0 0 0 >> 24 2.316 3.989 1 U 2.7e+06 0 e 0 0 0 0 >> 25 2.494 4.221 1 U 5.71e+06 0 e 0 0 0 0 >> 26 2.782 4.171 1 U 1.56e+06 0 e 0 0 0 0 >> 27 2.492 5.667 1 U 9.02e+06 0 e 0 0 0 0 >> 28 2.697 7.825 1 U 2.49e+07 0 e 0 0 0 0 >> 29 2.639 7.834 1 U 2.35e+07 0 e 0 0 0 0 >> 30 2.639 4.168 1 U 1.69e+06 0 e 0 0 0 0 >> 31 2.703 4.077 1 U 1.84e+06 0 e 0 0 0 0 >> 32 7.563 2.492 1 U 1.12e+07 0 e 0 0 0 0 >> 33 7.666 2.260 1 U 2.19e+07 0 e 0 0 0 0 >> 34 7.825 2.698 1 U 2.08e+07 0 e 0 0 0 0 >> 35 7.837 2.638 1 U 1.68e+07 0 e 0 0 0 0 >> 36 7.706 2.563 1 U 3.06e+07 0 e 0 0 0 0 >> 37 2.703 4.371 1 U 3.54e+06 0 e 0 0 0 0 >> 38 4.165 5.671 1 U 4.27e+06 0 e 0 0 0 0 >> 39 5.670 4.166 1 U 4.89e+06 0 e 0 0 0 0 >> 40 7.705 4.980 1 U 4.26e+06 0 e 0 0 0 0 >> 41 7.730 5.018 1 U 2.69e+06 0 e 0 0 0 0 >> 42 4.204 7.728 1 U 2.15e+06 0 e 0 0 0 0 >> 43 2.563 4.982 1 U 2.7e+07 0 e 0 0 0 0 >> 44 4.143 7.750 1 U 1.77e+06 0 e 0 0 0 0 >> 45 5.009 7.728 1 U 3.64e+06 0 e 0 0 0 0 >> 46 2.704 4.997 1 U 3.35e+07 0 e 0 0 0 0 >> 47 2.784 5.011 1 U 1.65e+07 0 e 0 0 0 0 >> 48 5.716 4.694 1 U 1.11e+06 0 e 0 0 0 0 >> 49 5.009 4.422 1 U 1.52e+07 0 e 0 0 0 0 >> 50 2.493 4.875 1 U 1.42e+07 0 e 0 0 0 0 >> 51 4.999 4.398 1 U 9.46e+06 0 e 0 0 0 0 >> 52 5.001 4.268 1 U 2.63e+06 0 e 0 0 0 0 >> 53 5.007 4.210 1 U 1.33e+07 0 e 0 0 0 0 >> 54 4.986 4.371 1 U 1.91e+07 0 e 0 0 0 0 >> 55 4.990 4.143 1 U 2.2e+07 0 e 0 0 0 0 >> 56 4.990 4.075 1 U 7.95e+06 0 e 0 0 0 0 >> 57 4.972 4.089 1 U 1.14e+07 0 e 0 0 0 0 >> 58 4.968 3.991 1 U 3.82e+06 0 e 0 0 0 0 >> 59 5.705 3.989 1 U 1.31e+06 0 e 0 0 0 0 >> 60 6.017 2.489 1 U 1.1e+07 0 e 0 0 0 0 >> 61 4.638 4.124 1 U 6.65e+06 0 e 0 0 0 0 >> 62 4.090 6.016 1 U 3.23e+06 0 e 0 0 0 0 >> 63 5.915 7.571 1 U 2.23e+06 0 e 0 0 0 0 >> 64 2.475 7.857 1 U 1.47e+07 0 e 0 0 9 0 >> 65 7.732 5.667 1 U 2.11e+06 0 e 0 0 15 0 >> 66 2.476 7.820 1 U 1.76e+06 0 e 0 0 20 0 >> 67 7.726 5.792 1 U 3.81e+06 0 e 0 0 26 0 >> 68 7.703 5.638 1 U 3.1e+06 0 e 0 0 80 0 >> 69 2.701 7.710 1 U 1.24e+07 0 e 0 0 87 0 >> 70 2.717 7.694 1 U 8.72e+06 0 e 0 0 98 0 >> 71 2.565 7.694 1 U 2.86e+07 0 e 0 0 98 0 >> 72 2.234 7.571 1 U 2.32e+07 0 e 0 0 220 0 >> 73 2.251 7.644 1 U 2.38e+07 0 e 0 0 236 0 >> 74 5.674 2.637 1 U 7.05e+06 0 e 0 5 6 0 >> 75 5.672 4.812 1 U 2.16e+06 0 e 0 5 8 0 >> 76 5.674 7.857 1 U 2.31e+06 0 e 0 5 9 0 >> 77 5.674 4.068 1 U 2.61e+06 0 e 0 5 19 0 >> 78 5.672 7.822 1 U 2.99e+06 0 e 0 5 20 0 >> 79 2.638 5.673 1 U 1e+07 0 e 0 6 5 0 >> 80 2.637 4.811 1 U 7.63e+06 0 e 0 6 8 0 >> 81 2.630 3.666 1 U 7.98e+05 0 e 0 6 10 0 >> 82 2.476 4.811 1 U 2.08e+07 0 e 0 7 8 0 >> 83 2.475 3.668 1 U 2.74e+06 0 e 0 7 10 0 >> 84 4.811 5.672 1 U 8.92e+05 0 e 0 8 5 0 >> 85 4.813 2.635 1 U 5.93e+06 0 e 0 8 6 0 >> 86 4.812 7.857 1 U 1.08e+06 0 e 0 8 9 0 >> 87 4.812 3.669 1 U 8.89e+06 0 e 0 8 10 0 >> 88 4.815 7.820 1 U 1.25e+06 0 e 0 8 20 0 >> 89 7.857 2.476 1 U 7.09e+06 0 e 0 9 0 0 >> 90 7.856 3.669 1 U 1.04e+06 0 e 0 9 10 0 >> 91 3.668 5.672 1 U 7.88e+05 0 e 0 10 5 0 >> 92 3.669 4.812 1 U 1.21e+07 0 e 0 10 8 0 >> 93 3.669 7.857 1 U 2.19e+06 0 e 0 10 9 0 >> 94 5.666 2.786 1 U 9.33e+06 0 e 0 15 16 0 >> 95 5.664 4.999 1 U 2.25e+06 0 e 0 15 17 0 >> 96 5.672 4.208 1 U 1.03e+06 0 e 0 15 32 0 >> 97 5.667 7.732 1 U 2.69e+06 0 e 0 15 33 0 >> 98 2.788 5.667 1 U 1.39e+07 0 e 0 16 15 0 >> 99 2.787 7.821 1 U 7.07e+06 0 e 0 16 20 0 >> 100 2.775 4.207 1 U 2.54e+06 0 e 0 16 32 0 >> 101 5.005 5.667 1 U 1.12e+06 0 e 0 17 15 0 >> 102 5.000 7.821 1 U 1.93e+06 0 e 0 17 20 0 >> 103 4.376 5.667 1 U 3.49e+06 0 e 0 18 15 0 >> 104 4.377 7.821 1 U 4.6e+05 0 e 0 18 20 0 >> 105 4.072 7.824 1 U 8.15e+05 0 e 0 19 20 0 >> 106 7.823 2.786 1 U 5.46e+06 0 e 0 20 16 0 >> 107 7.822 5.003 1 U 2.21e+06 0 e 0 20 17 0 >> 108 7.822 4.375 1 U 6.23e+05 0 e 0 20 18 0 >> 109 5.797 2.784 1 U 9.7e+06 0 e 0 26 27 0 >> 110 5.793 2.640 1 U 4.45e+06 0 e 0 26 28 0 >> 111 5.793 5.020 1 U 1.46e+06 0 e 0 26 29 0 >> 112 5.794 4.421 1 U 4.87e+06 0 e 0 26 30 0 >> 113 5.793 7.727 1 U 4.01e+06 0 e 0 26 43 0 >> 114 5.792 4.207 1 U 2.67e+06 0 e 0 26 45 0 >> 115 2.786 5.792 1 U 1.17e+07 0 e 0 27 26 0 >> 116 2.779 4.421 1 U 2.14e+06 0 e 0 27 30 0 >> 117 2.785 7.730 1 U 1.63e+07 0 e 0 27 33 0 >> 118 2.641 5.792 1 U 5.98e+06 0 e 0 28 26 0 >> 119 2.640 5.020 1 U 1.46e+07 0 e 0 28 29 0 >> 120 2.643 4.421 1 U 1.77e+06 0 e 0 28 30 0 >> 121 2.640 7.731 1 U 2.01e+07 0 e 0 28 33 0 >> 122 2.637 4.207 1 U 1.51e+06 0 e 0 28 45 0 >> 123 5.018 5.792 1 U 1.3e+06 0 e 0 29 26 0 >> 124 5.010 2.785 1 U 1.36e+07 0 e 0 29 27 0 >> 125 4.420 5.793 1 U 4.16e+06 0 e 0 30 26 0 >> 126 4.419 5.017 1 U 1.14e+07 0 e 0 30 29 0 >> 127 4.421 7.727 1 U 9.79e+05 0 e 0 30 33 0 >> 128 4.200 5.018 1 U 1.29e+07 0 e 0 32 29 0 >> 129 7.728 2.786 1 U 1.11e+07 0 e 0 33 27 0 >> 130 7.729 2.639 1 U 1.39e+07 0 e 0 33 28 0 >> 131 7.731 4.209 1 U 1.99e+06 0 e 0 33 32 0 >> 132 5.915 2.737 1 U 1.69e+07 0 e 0 38 39 0 >> 133 5.922 2.555 1 U 4.12e+06 0 e 0 38 40 0 >> 134 5.930 4.996 1 U 2.36e+06 0 e 0 38 41 0 >> 135 5.922 4.426 1 U 4.21e+06 0 e 0 38 42 0 >> 136 5.928 7.725 1 U 1.72e+06 0 e 0 38 43 0 >> 137 5.920 5.272 1 U 7.74e+05 0 e 0 38 57 0 >> 138 5.921 7.247 1 U 1.92e+06 0 e 0 38 60 0 >> 139 2.740 5.917 1 U 1.85e+07 0 e 0 39 38 0 >> 140 2.754 4.426 1 U 1.54e+06 0 e 0 39 42 0 >> 141 2.744 5.272 1 U 2.88e+06 0 e 0 39 57 0 >> 142 2.746 4.218 1 U 3.23e+06 0 e 0 39 59 0 >> 143 2.744 7.247 1 U 8.47e+06 0 e 0 39 60 0 >> 144 2.786 4.374 1 U 1.33e+06 0 e 0 16 18 0 >> 145 2.552 5.922 1 U 5.27e+06 0 e 0 40 38 0 >> 146 2.555 4.426 1 U 1.15e+06 0 e 0 40 42 0 >> 147 2.553 5.273 1 U 1.94e+06 0 e 0 40 57 0 >> 148 2.554 7.247 1 U 2.72e+06 0 e 0 40 60 0 >> 149 4.995 5.924 1 U 2.24e+06 0 e 0 41 38 0 >> 150 4.994 7.247 1 U 5.92e+05 0 e 0 41 60 0 >> 151 4.419 5.919 1 U 4.65e+06 0 e 0 42 38 0 >> 152 7.721 5.915 1 U 3.3e+06 0 e 0 43 38 0 >> 153 7.726 4.423 1 U 1.15e+06 0 e 0 43 42 0 >> 154 7.724 5.272 1 U 1.34e+06 0 e 0 43 57 0 >> 155 7.724 7.246 1 U 6.28e+05 0 e 0 43 60 0 >> 156 4.204 5.792 1 U 3.66e+06 0 e 0 45 26 0 >> 157 5.704 2.315 1 U 8.26e+06 0 e 0 50 51 0 >> 158 5.704 1.880 1 U 2.86e+06 0 e 0 50 52 0 >> 159 5.704 4.846 1 U 1.57e+06 0 e 0 50 53 0 >> 160 5.703 4.148 1 U 6.91e+06 0 e 0 50 54 0 >> 161 5.703 7.247 1 U 1.76e+06 0 e 0 50 60 0 >> 162 5.705 7.832 1 U 1.91e+06 0 e 0 50 74 0 >> 163 2.315 5.704 1 U 1.4e+07 0 e 0 51 50 0 >> 164 2.314 4.847 1 U 6.15e+06 0 e 0 51 53 0 >> 165 2.315 7.247 1 U 4.23e+06 0 e 0 51 60 0 >> 166 2.311 4.148 1 U 2.95e+06 0 e 0 51 73 0 >> 167 2.315 7.834 1 U 5.41e+06 0 e 0 51 74 0 >> 168 1.879 5.704 1 U 4.29e+06 0 e 0 52 50 0 >> 169 1.879 4.846 1 U 1.47e+07 0 e 0 52 53 0 >> 170 1.878 5.273 1 U 1.24e+06 0 e 0 52 57 0 >> 171 1.878 7.247 1 U 2.03e+07 0 e 0 52 60 0 >> 172 1.878 4.146 1 U 1.51e+06 0 e 0 52 73 0 >> 173 1.879 7.835 1 U 4.39e+06 0 e 0 52 74 0 >> 174 4.847 5.703 1 U 9.32e+05 0 e 0 53 50 0 >> 175 4.847 2.316 1 U 4.35e+06 0 e 0 53 51 0 >> 176 4.848 1.879 1 U 8.51e+06 0 e 0 53 52 0 >> 177 4.847 7.247 1 U 2.53e+06 0 e 0 53 60 0 >> 178 4.845 7.835 1 U 1.26e+06 0 e 0 53 74 0 >> 179 4.145 5.705 1 U 5.26e+06 0 e 0 54 50 0 >> 180 5.274 5.924 1 U 5.44e+05 0 e 0 57 38 0 >> 181 5.275 2.748 1 U 1.71e+06 0 e 0 57 39 0 >> 182 5.271 2.554 1 U 8.78e+05 0 e 0 57 40 0 >> 183 5.272 7.723 1 U 1.16e+06 0 e 0 57 43 0 >> 184 5.273 7.247 1 U 1.54e+07 0 e 0 57 60 0 >> 185 4.138 7.247 1 U 1.67e+06 0 e 0 58 60 0 >> 186 4.222 5.706 1 U 5.65e+05 0 e 0 59 50 0 >> 187 4.218 7.247 1 U 1.09e+06 0 e 0 59 60 0 >> 188 7.249 5.922 1 U 2.26e+06 0 e 0 60 38 0 >> 189 7.248 2.745 1 U 6.4e+06 0 e 0 60 39 0 >> 190 7.247 2.554 1 U 2.08e+06 0 e 0 60 40 0 >> 191 7.249 4.996 1 U 1.05e+06 0 e 0 60 41 0 >> 192 7.247 7.723 1 U 3.78e+05 0 e 0 60 43 0 >> 193 7.249 5.704 1 U 1.84e+06 0 e 0 60 50 0 >> 194 7.249 2.315 1 U 2.92e+06 0 e 0 60 51 0 >> 195 7.249 1.879 1 U 1.22e+07 0 e 0 60 52 0 >> 196 7.249 4.846 1 U 2.62e+06 0 e 0 60 53 0 >> 197 7.248 5.272 1 U 2.23e+07 0 e 0 60 57 0 >> 198 7.250 4.144 1 U 1.36e+06 0 e 0 60 58 0 >> 199 7.251 4.214 1 U 1e+06 0 e 0 60 59 0 >> 200 7.250 7.835 1 U 3.03e+05 0 e 0 60 74 0 >> 201 5.504 2.703 1 U 1e+07 0 e 0 67 68 0 >> 202 5.504 2.640 1 U 3.78e+06 0 e 0 67 69 0 >> 203 5.503 4.969 1 U 1.82e+06 0 e 0 67 70 0 >> 204 5.504 4.311 1 U 4e+06 0 e 0 67 71 0 >> 205 5.504 4.151 1 U 1.07e+06 0 e 0 67 73 0 >> 206 5.504 7.834 1 U 1.65e+06 0 e 0 67 74 0 >> 207 5.504 4.101 1 U 2.17e+06 0 e 0 67 85 0 >> 208 5.504 7.712 1 U 2.65e+06 0 e 0 67 87 0 >> 209 2.704 5.505 1 U 1.49e+07 0 e 0 68 67 0 >> 210 2.704 4.311 1 U 1.99e+06 0 e 0 68 71 0 >> 211 2.707 4.142 1 U 4.21e+06 0 e 0 68 86 0 >> 212 2.642 5.505 1 U 3.41e+06 0 e 0 69 67 0 >> 213 2.641 4.968 1 U 1.49e+07 0 e 0 69 70 0 >> 214 2.641 4.311 1 U 1.86e+06 0 e 0 69 71 0 >> 215 2.641 4.078 1 U 1.34e+06 0 e 0 69 72 0 >> 216 4.970 5.505 1 U 1.6e+06 0 e 0 70 67 0 >> 217 4.970 2.640 1 U 1.05e+07 0 e 0 70 69 0 >> 218 4.968 4.311 1 U 1.19e+07 0 e 0 70 71 0 >> 219 4.972 7.834 1 U 2.19e+06 0 e 0 70 74 0 >> 220 4.313 5.505 1 U 2.96e+06 0 e 0 71 67 0 >> 221 4.312 4.968 1 U 8.82e+06 0 e 0 71 70 0 >> 222 4.312 7.834 1 U 2.75e+05 0 e 0 71 74 0 >> 223 4.088 5.708 1 U 4.29e+05 0 e 0 72 50 0 >> 224 4.085 7.831 1 U 1.05e+06 0 e 0 72 74 0 >> 225 4.144 7.831 1 U 1.66e+06 0 e 0 73 74 0 >> 226 7.837 5.711 1 U 1.32e+06 0 e 0 74 50 0 >> 227 7.836 2.318 1 U 2.8e+06 0 e 0 74 51 0 >> 228 7.836 1.879 1 U 2.1e+06 0 e 0 74 52 0 >> 229 7.835 4.846 1 U 1.57e+06 0 e 0 74 53 0 >> 230 7.836 7.248 1 U 5.11e+05 0 e 0 74 60 0 >> 231 7.836 5.505 1 U 1.21e+06 0 e 0 74 67 0 >> 232 7.837 4.968 1 U 2.37e+06 0 e 0 74 70 0 >> 233 7.837 4.311 1 U 5.68e+05 0 e 0 74 71 0 >> 234 7.829 4.076 1 U 9.31e+05 0 e 0 74 72 0 >> 235 7.834 4.149 1 U 1.57e+06 0 e 0 74 73 0 >> 236 5.643 2.696 1 U 9.8e+06 0 e 0 80 81 0 >> 237 5.638 2.566 1 U 5e+06 0 e 0 80 82 0 >> 238 5.639 4.984 1 U 1.94e+06 0 e 0 80 83 0 >> 239 5.643 4.366 1 U 5.21e+06 0 e 0 80 84 0 >> 240 5.637 7.708 1 U 1.94e+06 0 e 0 80 87 0 >> 241 5.646 4.152 1 U 3.15e+06 0 e 0 80 97 0 >> 242 5.638 7.697 1 U 2.32e+06 0 e 0 80 98 0 >> 243 2.698 5.638 1 U 1.05e+07 0 e 0 81 80 0 >> 244 2.565 5.638 1 U 8.34e+06 0 e 0 82 80 0 >> 245 2.565 4.370 1 U 2.69e+06 0 e 0 82 84 0 >> 246 2.562 7.714 1 U 2.93e+07 0 e 0 82 87 0 >> 247 2.571 4.150 1 U 4.59e+06 0 e 0 82 97 0 >> 248 4.983 5.638 1 U 1.51e+06 0 e 0 83 80 0 >> 249 4.987 7.717 1 U 3.46e+06 0 e 0 83 87 0 >> 250 4.365 5.638 1 U 3.55e+06 0 e 0 84 80 0 >> 251 4.363 7.709 1 U 6.2e+05 0 e 0 84 87 0 >> 252 4.102 5.505 1 U 2.21e+06 0 e 0 85 67 0 >> 253 4.094 4.974 1 U 1.06e+07 0 e 0 85 83 0 >> 254 4.111 7.712 1 U 8.78e+05 0 e 0 85 87 0 >> 255 7.711 5.505 1 U 2.08e+06 0 e 0 87 67 0 >> 256 7.709 2.700 1 U 1.13e+07 0 e 0 87 68 0 >> 257 7.706 4.369 1 U 1.09e+06 0 e 0 87 84 0 >> 258 5.758 2.728 1 U 1.11e+07 0 e 0 92 93 0 >> 259 5.758 2.565 1 U 5.32e+06 0 e 0 92 94 0 >> 260 5.758 4.969 1 U 1.79e+06 0 e 0 92 95 0 >> 261 5.758 4.375 1 U 5.24e+06 0 e 0 92 96 0 >> 262 5.760 7.693 1 U 2.27e+06 0 e 0 92 98 0 >> 263 5.759 4.129 1 U 1.49e+06 0 e 0 92 108 0 >> 264 5.761 4.234 1 U 2.44e+06 0 e 0 92 109 0 >> 265 5.758 7.748 1 U 2.53e+06 0 e 0 92 110 0 >> 266 2.728 5.758 1 U 1.6e+07 0 e 0 93 92 0 >> 267 2.729 7.748 1 U 6.63e+06 0 e 0 93 110 0 >> 268 2.565 5.758 1 U 6.86e+06 0 e 0 94 92 0 >> 269 2.567 4.231 1 U 2.06e+06 0 e 0 94 109 0 >> 270 2.569 7.746 1 U 2.58e+06 0 e 0 94 110 0 >> 271 4.970 5.759 1 U 1.58e+06 0 e 0 95 92 0 >> 272 4.972 7.696 1 U 3.25e+06 0 e 0 95 98 0 >> 273 4.968 7.748 1 U 8.35e+05 0 e 0 95 110 0 >> 274 4.377 5.759 1 U 4.22e+06 0 e 0 96 92 0 >> 275 4.146 5.639 1 U 3.17e+06 0 e 0 97 80 0 >> 276 4.154 4.976 1 U 1.67e+07 0 e 0 97 95 0 >> 277 4.149 7.694 1 U 1.78e+06 0 e 0 97 98 0 >> 278 7.704 4.151 1 U 1.71e+06 0 e 0 98 97 0 >> 279 6.154 2.476 1 U 4.09e+06 0 e 0 103 104 0 >> 280 6.154 2.358 1 U 1.08e+07 0 e 0 103 105 0 >> 281 6.154 4.638 1 U 8.82e+05 0 e 0 103 106 0 >> 282 6.154 4.211 1 U 5.09e+06 0 e 0 103 107 0 >> 283 6.154 4.127 1 U 7.63e+05 0 e 0 103 108 0 >> 284 6.153 7.748 1 U 2.02e+06 0 e 0 103 110 0 >> 285 2.480 6.154 1 U 7.66e+06 0 e 0 104 103 0 >> 286 2.482 4.638 1 U 1.39e+07 0 e 0 104 106 0 >> 287 2.483 7.749 1 U 2.09e+07 0 e 0 104 110 0 >> 288 2.357 6.155 1 U 1.61e+07 0 e 0 105 103 0 >> 289 2.358 4.638 1 U 3.43e+06 0 e 0 105 106 0 >> 290 2.357 4.212 1 U 2.83e+06 0 e 0 105 107 0 >> 291 2.361 7.748 1 U 3.14e+06 0 e 0 105 110 0 >> 292 4.638 6.154 1 U 1.23e+06 0 e 0 106 103 0 >> 293 4.638 2.481 1 U 9.13e+06 0 e 0 106 104 0 >> 294 4.638 2.359 1 U 4.17e+06 0 e 0 106 105 0 >> 295 4.638 4.212 1 U 8.45e+06 0 e 0 106 107 0 >> 296 4.638 7.748 1 U 2.83e+06 0 e 0 106 110 0 >> 297 4.213 6.155 1 U 4.54e+06 0 e 0 107 103 0 >> 298 4.135 5.758 1 U 1.1e+06 0 e 0 108 92 0 >> 299 4.123 6.154 1 U 6.99e+05 0 e 0 108 103 0 >> 300 4.235 5.759 1 U 3e+06 0 e 0 109 92 0 >> 301 4.227 7.748 1 U 1.16e+06 0 e 0 109 110 0 >> 302 7.740 4.161 1 U 1.37e+06 0 e 0 110 0 0 >> 303 7.749 5.758 1 U 1.95e+06 0 e 0 110 92 0 >> 304 7.736 2.734 1 U 5.5e+06 0 e 0 110 93 0 >> 305 7.747 6.155 1 U 1.94e+06 0 e 0 110 103 0 >> 306 7.748 2.482 1 U 1.2e+07 0 e 0 110 104 0 >> 307 7.747 2.362 1 U 2.58e+06 0 e 0 110 105 0 >> 308 7.746 4.638 1 U 2.48e+06 0 e 0 110 106 0 >> 309 6.016 2.577 1 U 8.82e+06 0 e 0 116 117 0 >> 310 6.017 2.192 1 U 4.73e+06 0 e 0 116 118 0 >> 311 6.013 4.693 1 U 5.57e+05 0 e 0 116 119 0 >> 312 6.016 4.146 1 U 5.1e+06 0 e 0 116 120 0 >> 313 2.578 6.016 1 U 1.29e+07 0 e 0 117 116 0 >> 314 2.569 4.693 1 U 4.14e+05 0 e 0 117 119 0 >> 315 2.575 7.837 1 U 2.64e+06 0 e 0 117 125 0 >> 316 2.577 5.713 1 U 2.18e+06 0 e 0 117 138 0 >> 317 2.578 4.085 1 U 3.35e+06 0 e 0 117 139 0 >> 318 2.194 4.694 1 U 1.57e+07 0 e 0 118 119 0 >> 319 2.194 7.837 1 U 1.49e+07 0 e 0 118 125 0 >> 320 2.194 5.714 1 U 3.72e+06 0 e 0 118 138 0 >> 321 2.201 4.093 1 U 1.56e+06 0 e 0 118 139 0 >> 322 2.194 7.676 1 U 6.02e+06 0 e 0 118 141 0 >> 323 4.694 6.014 1 U 9.61e+05 0 e 0 119 116 0 >> 324 4.694 2.572 1 U 1.69e+06 0 e 0 119 117 0 >> 325 4.694 2.194 1 U 8.98e+06 0 e 0 119 118 0 >> 326 4.693 4.150 1 U 7.66e+06 0 e 0 119 120 0 >> 327 4.694 3.787 1 U 3.87e+06 0 e 0 119 123 0 >> 328 4.693 3.832 1 U 2.65e+06 0 e 0 119 124 0 >> 329 4.694 7.837 1 U 2.97e+06 0 e 0 119 125 0 >> 330 4.694 5.714 1 U 1.89e+06 0 e 0 119 138 0 >> 331 4.694 7.677 1 U 2.04e+06 0 e 0 119 141 0 >> 332 6.004 7.837 1 U 1.97e+07 0 e 0 122 125 0 >> 333 6.014 5.714 1 U 9.44e+05 0 e 0 122 138 0 >> 334 3.790 6.009 1 U 4.48e+05 0 e 0 123 116 0 >> 335 3.789 4.694 1 U 5.18e+06 0 e 0 123 119 0 >> 336 3.790 7.837 1 U 2.63e+06 0 e 0 123 125 0 >> 337 3.833 6.008 1 U 6.62e+05 0 e 0 124 116 0 >> 338 3.824 7.837 1 U 2.11e+06 0 e 0 124 125 0 >> 339 7.838 2.195 1 U 6.33e+06 0 e 0 125 118 0 >> 340 7.838 4.693 1 U 2.14e+06 0 e 0 125 119 0 >> 341 7.840 3.788 1 U 1.53e+06 0 e 0 125 123 0 >> 342 7.837 3.833 1 U 1.3e+06 0 e 0 125 124 0 >> 343 6.041 2.502 1 U 1.35e+07 0 e 0 131 132 0 >> 344 6.041 2.264 1 U 5.57e+06 0 e 0 131 133 0 >> 345 6.027 4.879 1 U 1.94e+06 0 e 0 131 134 0 >> 346 6.031 4.234 1 U 6.79e+06 0 e 0 131 135 0 >> 347 6.028 7.677 1 U 2.99e+06 0 e 0 131 141 0 >> 348 6.030 5.667 1 U 1.12e+06 0 e 0 131 154 0 >> 349 2.506 6.033 1 U 1.71e+07 0 e 0 132 131 0 >> 350 2.505 7.676 1 U 6.94e+06 0 e 0 132 141 0 >> 351 2.262 6.034 1 U 4.82e+06 0 e 0 133 131 0 >> 352 2.262 4.881 1 U 1.72e+07 0 e 0 133 134 0 >> 353 2.258 4.234 1 U 1.88e+06 0 e 0 133 135 0 >> 354 2.263 7.677 1 U 2.66e+07 0 e 0 133 141 0 >> 355 2.263 5.668 1 U 2.58e+06 0 e 0 133 154 0 >> 356 4.879 6.031 1 U 1.52e+06 0 e 0 134 131 0 >> 357 4.879 2.263 1 U 1e+07 0 e 0 134 133 0 >> 358 4.880 7.676 1 U 2.73e+06 0 e 0 134 141 0 >> 359 4.234 6.032 1 U 5.57e+06 0 e 0 135 131 0 >> 360 5.712 2.196 1 U 1.6e+06 0 e 0 138 118 0 >> 361 5.714 6.004 1 U 2.21e+05 0 e 0 138 122 0 >> 362 5.715 7.677 1 U 2.49e+07 0 e 0 138 141 0 >> 363 4.087 7.676 1 U 2.07e+06 0 e 0 139 141 0 >> 364 4.234 7.678 1 U 6.86e+05 0 e 0 140 141 0 >> 365 7.677 2.194 1 U 2.94e+06 0 e 0 141 118 0 >> 366 7.678 4.694 1 U 1.36e+06 0 e 0 141 119 0 >> 367 7.678 6.029 1 U 2.63e+06 0 e 0 141 131 0 >> 368 7.666 2.498 1 U 5.98e+06 0 e 0 141 132 0 >> 369 7.679 4.881 1 U 3.06e+06 0 e 0 141 134 0 >> 370 7.678 5.714 1 U 3.07e+07 0 e 0 141 138 0 >> 371 7.666 4.087 1 U 2e+06 0 e 0 141 139 0 >> 372 7.680 4.234 1 U 9.72e+05 0 e 0 141 140 0 >> 373 6.000 2.480 1 U 1.05e+07 0 e 0 147 148 0 >> 374 5.998 2.184 1 U 4.42e+06 0 e 0 147 149 0 >> 375 6.000 4.872 1 U 1.27e+06 0 e 0 147 150 0 >> 376 6.000 4.212 1 U 6.68e+06 0 e 0 147 151 0 >> 377 6.000 7.460 1 U 1.82e+06 0 e 0 147 174 0 >> 378 2.481 6.001 1 U 1.46e+07 0 e 0 148 147 0 >> 379 2.482 7.461 1 U 7.36e+06 0 e 0 148 174 0 >> 380 2.182 4.870 1 U 1.66e+07 0 e 0 149 150 0 >> 381 2.181 7.553 1 U 2.73e+07 0 e 0 149 157 0 >> 382 2.181 5.659 1 U 2.78e+06 0 e 0 149 171 0 >> 383 2.181 7.461 1 U 2.87e+06 0 e 0 149 174 0 >> 384 4.869 6.001 1 U 1.58e+06 0 e 0 150 147 0 >> 385 4.870 2.182 1 U 1.11e+07 0 e 0 150 149 0 >> 386 4.871 7.553 1 U 3.88e+06 0 e 0 150 157 0 >> 387 4.214 6.002 1 U 5.15e+06 0 e 0 151 147 0 >> 388 5.665 6.033 1 U 8.95e+05 0 e 0 154 131 0 >> 389 5.668 2.264 1 U 1.16e+06 0 e 0 154 133 0 >> 390 5.667 7.553 1 U 2.04e+07 0 e 0 154 157 0 >> 391 4.120 7.555 1 U 2.47e+06 0 e 0 155 157 0 >> 392 4.217 7.554 1 U 1.03e+06 0 e 0 156 157 0 >> 393 7.553 6.032 1 U 1.83e+06 0 e 0 157 131 0 >> 394 7.552 5.999 1 U 2.78e+06 0 e 0 157 147 0 >> 395 7.553 2.182 1 U 1.84e+07 0 e 0 157 149 0 >> 396 7.553 4.871 1 U 3.72e+06 0 e 0 157 150 0 >> 397 7.552 5.668 1 U 3.07e+07 0 e 0 157 154 0 >> 398 7.557 4.120 1 U 1.98e+06 0 e 0 157 155 0 >> 399 7.552 4.213 1 U 1.34e+06 0 e 0 157 156 0 >> 400 5.583 2.407 1 U 9.37e+06 0 e 0 164 165 0 >> 401 5.583 2.082 1 U 3.54e+06 0 e 0 164 166 0 >> 402 5.584 4.857 1 U 1.64e+06 0 e 0 164 167 0 >> 403 5.583 4.133 1 U 7.07e+06 0 e 0 164 168 0 >> 404 5.579 7.461 1 U 1.84e+06 0 e 0 164 174 0 >> 405 5.583 4.070 1 U 1.51e+06 0 e 0 164 185 0 >> 406 5.584 7.922 1 U 1.73e+06 0 e 0 164 187 0 >> 407 2.408 5.584 1 U 1.4e+07 0 e 0 165 164 0 >> 408 2.407 4.858 1 U 7.4e+06 0 e 0 165 167 0 >> 409 2.407 7.461 1 U 6.71e+06 0 e 0 165 174 0 >> 410 2.408 4.068 1 U 2.13e+06 0 e 0 165 185 0 >> 411 2.407 4.133 1 U 3.18e+06 0 e 0 165 186 0 >> 412 2.407 7.922 1 U 5.37e+06 0 e 0 165 187 0 >> 413 2.082 5.584 1 U 5.57e+06 0 e 0 166 164 0 >> 414 2.080 4.858 1 U 1.54e+07 0 e 0 166 167 0 >> 415 2.080 4.132 1 U 1.82e+06 0 e 0 166 168 0 >> 416 2.080 5.649 1 U 1.68e+06 0 e 0 166 171 0 >> 417 2.079 7.460 1 U 2.63e+07 0 e 0 166 174 0 >> 418 2.080 7.922 1 U 3.44e+06 0 e 0 166 187 0 >> 419 4.858 5.584 1 U 1.08e+06 0 e 0 167 164 0 >> 420 4.857 2.406 1 U 5.1e+06 0 e 0 167 165 0 >> 421 4.856 2.081 1 U 8.85e+06 0 e 0 167 166 0 >> 422 4.859 7.461 1 U 3.26e+06 0 e 0 167 174 0 >> 423 4.857 7.922 1 U 1.25e+06 0 e 0 167 187 0 >> 424 4.132 5.584 1 U 5.03e+06 0 e 0 168 164 0 >> 425 5.655 5.998 1 U 4.39e+05 0 e 0 171 147 0 >> 426 5.660 2.182 1 U 2.17e+06 0 e 0 171 149 0 >> 427 5.651 7.461 1 U 1.8e+07 0 e 0 171 174 0 >> 428 4.118 7.460 1 U 2.05e+06 0 e 0 172 174 0 >> 429 4.123 6.002 1 U 4.25e+06 0 e 0 173 147 0 >> 430 7.462 6.000 1 U 1.92e+06 0 e 0 174 147 0 >> 431 7.463 2.481 1 U 5.82e+06 0 e 0 174 148 0 >> 432 7.461 2.182 1 U 1.62e+06 0 e 0 174 149 0 >> 433 7.462 5.584 1 U 1.58e+06 0 e 0 174 164 0 >> 434 7.463 2.407 1 U 4.7e+06 0 e 0 174 165 0 >> 435 7.462 2.081 1 U 1.57e+07 0 e 0 174 166 0 >> 436 7.464 4.860 1 U 3.61e+06 0 e 0 174 167 0 >> 437 7.462 5.650 1 U 2.6e+07 0 e 0 174 171 0 >> 438 7.464 4.131 1 U 1.69e+06 0 e 0 174 173 0 >> 439 7.464 7.922 1 U 5.75e+05 0 e 0 174 187 0 >> 440 5.902 2.693 1 U 4.39e+06 0 e 0 180 182 0 >> 441 5.897 4.994 1 U 2.32e+06 0 e 0 180 183 0 >> 442 5.907 4.398 1 U 3.91e+06 0 e 0 180 184 0 >> 443 5.908 7.922 1 U 1.44e+06 0 e 0 180 187 0 >> 444 5.908 5.378 1 U 1.03e+06 0 e 0 180 201 0 >> 445 5.910 4.264 1 U 3.11e+06 0 e 0 180 203 0 >> 446 2.717 4.392 1 U 1.76e+06 0 e 0 181 184 0 >> 447 2.724 5.378 1 U 3.64e+06 0 e 0 181 201 0 >> 448 2.725 7.400 1 U 8.88e+06 0 e 0 181 204 0 >> 449 2.700 7.922 1 U 1.95e+07 0 e 0 182 187 0 >> 450 4.995 5.907 1 U 2.64e+06 0 e 0 183 180 0 >> 451 4.995 7.922 1 U 1.88e+06 0 e 0 183 187 0 >> 452 4.993 7.400 1 U 1.21e+06 0 e 0 183 204 0 >> 453 4.405 5.908 1 U 4.13e+06 0 e 0 184 180 0 >> 454 4.387 4.997 1 U 1.5e+07 0 e 0 184 183 0 >> 455 4.396 7.923 1 U 4.32e+05 0 e 0 184 187 0 >> 456 4.396 7.399 1 U 5.07e+05 0 e 0 184 204 0 >> 457 4.070 5.584 1 U 1.29e+06 0 e 0 185 164 0 >> 458 4.067 4.999 1 U 8.38e+06 0 e 0 185 183 0 >> 459 4.068 7.922 1 U 8.45e+05 0 e 0 185 187 0 >> 460 4.139 4.996 1 U 2.34e+07 0 e 0 186 183 0 >> 461 4.136 7.923 1 U 1e+06 0 e 0 186 187 0 >> 462 7.922 5.584 1 U 1.37e+06 0 e 0 187 164 0 >> 463 7.923 2.407 1 U 3.03e+06 0 e 0 187 165 0 >> 464 7.922 2.081 1 U 1.71e+06 0 e 0 187 166 0 >> 465 7.922 4.857 1 U 1.34e+06 0 e 0 187 167 0 >> 466 7.922 7.460 1 U 5.51e+05 0 e 0 187 174 0 >> 467 7.922 5.906 1 U 1.34e+06 0 e 0 187 180 0 >> 468 7.924 2.723 1 U 8.17e+06 0 e 0 187 181 0 >> 469 7.923 2.693 1 U 1.35e+07 0 e 0 187 182 0 >> 470 7.923 4.996 1 U 2.19e+06 0 e 0 187 183 0 >> 471 7.923 4.397 1 U 5.87e+05 0 e 0 187 184 0 >> 472 7.921 4.065 1 U 6.36e+05 0 e 0 187 185 0 >> 473 7.923 4.135 1 U 1.02e+06 0 e 0 187 186 0 >> 474 7.922 5.377 1 U 1.65e+06 0 e 0 187 201 0 >> 475 7.924 7.400 1 U 7.35e+05 0 e 0 187 204 0 >> 476 5.945 2.503 1 U 9.75e+06 0 e 0 194 195 0 >> 477 5.942 2.221 1 U 3.14e+06 0 e 0 194 196 0 >> 478 5.945 4.776 1 U 7.88e+05 0 e 0 194 197 0 >> 479 5.938 4.226 1 U 7.95e+06 0 e 0 194 198 0 >> 480 5.940 5.604 1 U 5.63e+05 0 e 0 194 217 0 >> 481 2.502 5.944 1 U 1.38e+07 0 e 0 195 194 0 >> 482 2.501 4.229 1 U 5.32e+06 0 e 0 195 198 0 >> 483 2.500 7.400 1 U 5.13e+06 0 e 0 195 204 0 >> 484 2.499 5.605 1 U 2.25e+06 0 e 0 195 217 0 >> 485 2.216 5.944 1 U 5.99e+06 0 e 0 196 194 0 >> 486 2.215 4.778 1 U 1.38e+07 0 e 0 196 197 0 >> 487 2.212 4.227 1 U 2.12e+06 0 e 0 196 198 0 >> 488 2.214 5.377 1 U 1.14e+06 0 e 0 196 201 0 >> 489 2.215 7.400 1 U 2e+07 0 e 0 196 204 0 >> 490 2.225 5.605 1 U 2.96e+06 0 e 0 196 217 0 >> 491 4.777 5.944 1 U 1.25e+06 0 e 0 197 194 0 >> 492 4.775 4.227 1 U 6.95e+06 0 e 0 197 198 0 >> 493 4.778 7.400 1 U 3.5e+06 0 e 0 197 204 0 >> 494 4.785 5.606 1 U 9.72e+05 0 e 0 197 217 0 >> 495 4.224 5.940 1 U 6.03e+06 0 e 0 198 194 0 >> 496 5.379 5.907 1 U 5.24e+05 0 e 0 201 180 0 >> 497 5.378 2.727 1 U 1.62e+06 0 e 0 201 181 0 >> 498 5.381 2.695 1 U 1.82e+06 0 e 0 201 182 0 >> 499 5.379 7.922 1 U 1.41e+06 0 e 0 201 187 0 >> 500 5.379 7.399 1 U 1.75e+07 0 e 0 201 204 0 >> 501 5.378 5.606 1 U 2.54e+05 0 e 0 201 217 0 >> 502 4.174 7.400 1 U 2.65e+06 0 e 0 202 204 0 >> 503 4.259 5.906 1 U 3.91e+06 0 e 0 203 180 0 >> 504 4.252 7.399 1 U 1.55e+06 0 e 0 203 204 0 >> 505 7.398 5.906 1 U 3.87e+06 0 e 0 204 180 0 >> 506 7.401 2.732 1 U 5.77e+06 0 e 0 204 181 0 >> 507 7.403 4.997 1 U 1.23e+06 0 e 0 204 183 0 >> 508 7.396 7.922 1 U 6.33e+05 0 e 0 204 187 0 >> 509 7.400 5.944 1 U 2.41e+06 0 e 0 204 194 0 >> 510 7.399 2.500 1 U 3.46e+06 0 e 0 204 195 0 >> 511 7.400 2.215 1 U 1.05e+07 0 e 0 204 196 0 >> 512 7.397 4.227 1 U 1.43e+06 0 e 0 204 198 0 >> 513 7.398 5.378 1 U 2.18e+07 0 e 0 204 201 0 >> 514 7.400 4.174 1 U 2.36e+06 0 e 0 204 202 0 >> 515 7.397 4.262 1 U 1.29e+06 0 e 0 204 203 0 >> 516 7.400 5.606 1 U 1.21e+06 0 e 0 204 217 0 >> 517 7.395 7.574 1 U -1.18e+04 0 e 0 204 220 0 >> 518 5.909 2.484 1 U 1.15e+07 0 e 0 210 211 0 >> 519 5.904 2.241 1 U 3.09e+06 0 e 0 210 212 0 >> 520 5.907 4.793 1 U 5.76e+06 0 e 0 210 213 0 >> 521 5.908 4.154 1 U 6.93e+06 0 e 0 210 214 0 >> 522 5.900 7.644 1 U 1.67e+06 0 e 0 210 236 0 >> 523 2.484 5.904 1 U 1.86e+07 0 e 0 211 210 0 >> 524 2.489 4.165 1 U 1.49e+07 0 e 0 211 230 0 >> 525 2.485 5.746 1 U 2.54e+06 0 e 0 211 233 0 >> 526 2.490 4.104 1 U 5.39e+06 0 e 0 211 234 0 >> 527 2.486 7.644 1 U 9.69e+06 0 e 0 211 236 0 >> 528 2.241 5.904 1 U 5.3e+06 0 e 0 212 210 0 >> 529 2.237 4.806 1 U 1.36e+07 0 e 0 212 213 0 >> 530 2.245 5.746 1 U 3.21e+06 0 e 0 212 233 0 >> 531 2.245 4.165 1 U 4.81e+06 0 e 0 212 235 0 >> 532 4.808 5.903 1 U 1.28e+06 0 e 0 213 210 0 >> 533 4.799 7.571 1 U 4.48e+06 0 e 0 213 220 0 >> 534 5.604 5.943 1 U 1.74e+05 0 e 0 217 194 0 >> 535 5.604 2.499 1 U 1.83e+06 0 e 0 217 195 0 >> 536 5.605 2.223 1 U 1.5e+06 0 e 0 217 196 0 >> 537 5.604 5.377 1 U 3.43e+05 0 e 0 217 201 0 >> 538 5.605 7.399 1 U 1.26e+06 0 e 0 217 204 0 >> 539 5.604 7.571 1 U 1.82e+07 0 e 0 217 220 0 >> 540 4.108 5.941 1 U 9.46e+05 0 e 0 218 194 0 >> 541 4.160 5.905 1 U 7.69e+06 0 e 0 219 210 0 >> 542 4.165 7.570 1 U 1.91e+06 0 e 0 219 220 0 >> 543 7.571 5.944 1 U 1.99e+06 0 e 0 220 194 0 >> 544 7.574 7.399 1 U 6.25e+04 0 e 0 220 204 0 >> 545 7.569 5.905 1 U 2.18e+06 0 e 0 220 210 0 >> 546 7.570 2.237 1 U 1.35e+07 0 e 0 220 212 0 >> 547 7.570 5.605 1 U 2.85e+07 0 e 0 220 217 0 >> 548 7.564 4.109 1 U 2.44e+06 0 e 0 220 218 0 >> 549 7.570 4.159 1 U 1.49e+06 0 e 0 220 219 0 >> 550 7.567 5.746 1 U 7.04e+05 0 e 0 220 233 0 >> 551 6.051 2.495 1 U 1.55e+07 0 e 0 226 227 0 >> 552 6.050 2.260 1 U 4.17e+06 0 e 0 226 228 0 >> 553 6.062 4.836 1 U 1.23e+06 0 e 0 226 229 0 >> 554 6.062 4.167 1 U 5.4e+06 0 e 0 226 230 0 >> 555 6.061 7.644 1 U 1.91e+06 0 e 0 226 236 0 >> 556 6.062 7.755 1 U 6.49e+05 0 e 0 226 249 0 >> 557 2.490 6.061 1 U 2.24e+07 0 e 0 227 226 0 >> 558 2.255 6.061 1 U 3.93e+06 0 e 0 228 226 0 >> 559 2.255 4.835 1 U 1.45e+07 0 e 0 228 229 0 >> 560 2.251 4.093 1 U 2.77e+06 0 e 0 228 234 0 >> 561 4.834 6.062 1 U 1.73e+06 0 e 0 229 226 0 >> 562 4.830 2.252 1 U 9.31e+06 0 e 0 229 228 0 >> 563 4.832 7.644 1 U 6.72e+06 0 e 0 229 236 0 >> 564 4.835 7.755 1 U 1.79e+06 0 e 0 229 249 0 >> 565 4.166 6.062 1 U 6.23e+06 0 e 0 230 226 0 >> 566 5.749 2.484 1 U 1.23e+06 0 e 0 233 211 0 >> 567 5.741 2.249 1 U 1.66e+06 0 e 0 233 212 0 >> 568 5.745 7.572 1 U 7.79e+05 0 e 0 233 220 0 >> 569 5.746 7.644 1 U 1.85e+07 0 e 0 233 236 0 >> 570 4.090 5.904 1 U 1.47e+06 0 e 0 234 210 0 >> 571 4.090 7.644 1 U 1.39e+06 0 e 0 234 236 0 >> 572 4.168 7.644 1 U 2.2e+06 0 e 0 235 236 0 >> 573 7.644 5.900 1 U 2.33e+06 0 e 0 236 210 0 >> 574 7.648 2.486 1 U 7.09e+06 0 e 0 236 211 0 >> 575 7.645 6.061 1 U 2.42e+06 0 e 0 236 226 0 >> 576 7.645 4.836 1 U 6.33e+06 0 e 0 236 229 0 >> 577 7.645 5.746 1 U 3.39e+07 0 e 0 236 233 0 >> 578 7.646 4.168 1 U 2.32e+06 0 e 0 236 235 0 >> 579 6.286 4.572 1 U 7.72e+05 0 e 0 243 244 0 >> 580 6.286 4.067 1 U 3.97e+06 0 e 0 243 245 0 >> 581 6.284 4.154 1 U 7.34e+05 0 e 0 243 248 0 >> 582 6.285 7.754 1 U 1.76e+06 0 e 0 243 249 0 >> 583 6.286 2.302 1 U 1.04e+07 0 e 0 243 250 0 >> 584 4.574 6.286 1 U 1.29e+06 0 e 0 244 243 0 >> 585 4.572 5.892 1 U 4.05e+05 0 e 0 244 246 0 >> 586 4.573 7.754 1 U 6.31e+06 0 e 0 244 249 0 >> 587 4.573 2.298 1 U 7.9e+06 0 e 0 244 250 0 >> 588 4.066 6.286 1 U 4.18e+06 0 e 0 245 243 0 >> 589 4.064 4.572 1 U 1.02e+07 0 e 0 245 244 0 >> 590 5.894 7.754 1 U 2.27e+07 0 e 0 246 249 0 >> 591 4.077 6.061 1 U 6.98e+05 0 e 0 247 226 0 >> 592 4.064 7.754 1 U 2.17e+06 0 e 0 247 249 0 >> 593 4.157 6.284 1 U 4.38e+05 0 e 0 248 243 0 >> 594 7.757 6.062 1 U 6.23e+05 0 e 0 249 226 0 >> 595 7.752 4.836 1 U 1.88e+06 0 e 0 249 229 0 >> 596 7.753 6.285 1 U 1.86e+06 0 e 0 249 243 0 >> 597 7.754 4.572 1 U 5.14e+06 0 e 0 249 244 0 >> 598 7.754 5.894 1 U 2.76e+07 0 e 0 249 246 0 >> 599 7.752 4.065 1 U 1.68e+06 0 e 0 249 247 0 >> 600 7.754 2.300 1 U 9.52e+06 0 e 0 249 250 0 >> 601 2.306 6.285 1 U 2.01e+07 0 e 0 250 243 0 >> 602 2.291 4.572 1 U 1.48e+07 0 e 0 250 244 0 >> 603 2.304 5.894 1 U 1.27e+06 0 e 0 250 246 0 >> 604 2.298 4.068 1 U 4.77e+06 0 e 0 250 247 0 >> 605 2.297 7.754 1 U 1.84e+07 0 e 0 250 249 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 . . 8064.516 Hz . . . 4.705 . . 30473 1 >> 2 . . H 1 H . . 8064.516 Hz . . . 4.705 . . 30473 1 >> >> stop_ >> >>save_ >> ; save_