data_30411 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of JzTx-V, a Nav 1.7 inhibitory peptide ; _BMRB_accession_number 30411 _BMRB_flat_file_name bmr30411.str _Entry_type original _Submission_date 2018-02-21 _Accession_date 2018-02-21 _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 Jordan J. B. . 2 Andrews K. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 128 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-05-06 update BMRB 'update entry citation' 2018-04-30 original author 'original release' stop_ _Original_release_date 2018-04-27 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Pharmacological characterization of potent and selective NaV1.7 inhibitors engineered from Chilobrachys jingzhao tarantula venom peptide JzTx-V. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29723257 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moyer B. D. . 2 Murray J. K. . 3 Ligutti J. . . 4 Andrews K. . . 5 Favreau P. . . 6 Jordan J. B. . 7 Lee J. H. . 8 Liu D. . . 9 Long J. . . 10 Sham K. . . 11 Shi L. . . 12 Stocklin R. . . 13 Wu B. . . 14 Yin R. . . 15 Yu V. . . 16 Zou A. . . 17 Biswas K. . . 18 Miranda L. . . stop_ _Journal_abbreviation 'PLoS ONE' _Journal_volume 13 _Journal_issue 5 _Journal_ISSN 1932-6203 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e0196791 _Page_last e0196791 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Beta/kappa-theraphotoxin-Cg2a _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 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 protein _Name_common entity_1 _Molecular_mass 3617.363 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 29 _Mol_residue_sequence ; YCQKWXWTCDSKRACCEGLR CKLWCRKEI ; loop_ _Residue_seq_code _Residue_label 1 TYR 2 CYS 3 GLN 4 LYS 5 TRP 6 NLE 7 TRP 8 THR 9 CYS 10 ASP 11 SER 12 LYS 13 ARG 14 ALA 15 CYS 16 CYS 17 GLU 18 GLY 19 LEU 20 ARG 21 CYS 22 LYS 23 LEU 24 TRP 25 CYS 26 ARG 27 LYS 28 GLU 29 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_NLE _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common NORLEUCINE _BMRB_code NLE _PDB_code NLE _Standard_residue_derivative . _Molecular_mass 131.173 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD CD C . 0 . ? CE CE C . 0 . ? H H H . 0 . ? HN2 HN2 H . 0 . ? HA HA H . 0 . ? HXT HXT H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HG2 HG2 H . 0 . ? HG3 HG3 H . 0 . ? HD2 HD2 H . 0 . ? HD3 HD3 H . 0 . ? HE1 HE1 H . 0 . ? HE2 HE2 H . 0 . ? HE3 HE3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N HN2 ? ? SING CA C ? ? SING CA CB ? ? SING CA HA ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG CD ? ? SING CG HG2 ? ? SING CG HG3 ? ? SING CD CE ? ? SING CD HD2 ? ? SING CD HD3 ? ? SING CE HE1 ? ? SING CE HE2 ? ? SING CE HE3 ? ? stop_ 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 'Chinese earth tiger tarantula' 278060 Eukaryota Metazoa Chilobrachys guangxiensis 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' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '5 mg/mL JzTx-V, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 5 mg/mL 'natural abundance' 'Sodium Phosphate' 20 mM 'natural abundance' 'Sodium Chloride' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version 3 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_HMBC_5 _Saveframe_category NMR_applied_experiment _Experiment_name HMBC _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' 70 . mM pH 7.0 . pH pressure 760 . Torr temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 DSS H 1 'methyl protons' ppm 0.0 external direct . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D 1H-15N HSQC' '2D 1H-13C HSQC' HMBC stop_ loop_ _Sample_label $sample_1 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 3 3 GLN H H 9.091 0.020 1 2 3 3 GLN HA H 4.626 0.020 1 3 3 3 GLN HB2 H 2.222 0.020 2 4 3 3 GLN HB3 H 2.316 0.020 2 5 3 3 GLN HG2 H 2.455 0.020 2 6 3 3 GLN HG3 H 2.902 0.020 2 7 5 5 TRP H H 7.829 0.020 1 8 5 5 TRP HA H 5.133 0.020 1 9 5 5 TRP HB2 H 2.972 0.020 2 10 5 5 TRP HB3 H 3.284 0.020 2 11 5 5 TRP HD1 H 7.858 0.020 1 12 5 5 TRP HE1 H 11.005 0.020 1 13 6 6 NLE H H 9.145 0.020 1 14 6 6 NLE HA H 3.736 0.020 1 15 6 6 NLE HB2 H 1.572 0.020 2 16 6 6 NLE HB3 H 1.939 0.020 2 17 6 6 NLE HD2 H 0.370 0.020 1 18 6 6 NLE HE1 H 0.169 0.020 1 19 6 6 NLE HE2 H 0.169 0.020 1 20 6 6 NLE HE3 H 0.169 0.020 1 21 6 6 NLE HG2 H 0.582 0.020 2 22 6 6 NLE HG3 H 0.702 0.020 2 23 7 7 TRP H H 8.878 0.020 1 24 7 7 TRP HA H 5.101 0.020 1 25 7 7 TRP HB2 H 3.573 0.020 2 26 7 7 TRP HB3 H 3.764 0.020 2 27 7 7 TRP HD1 H 7.212 0.020 1 28 7 7 TRP HE1 H 10.246 0.020 1 29 8 8 THR H H 8.538 0.020 1 30 8 8 THR HA H 4.676 0.020 1 31 8 8 THR HB H 4.444 0.020 1 32 9 9 CYS H H 8.057 0.020 1 33 9 9 CYS HA H 5.355 0.020 1 34 9 9 CYS HB2 H 3.555 0.020 1 35 10 10 ASP H H 8.619 0.020 1 36 10 10 ASP HA H 4.606 0.020 1 37 10 10 ASP HB2 H 3.312 0.020 2 38 10 10 ASP HB3 H 3.369 0.020 2 39 11 11 SER H H 8.451 0.020 1 40 11 11 SER HA H 4.301 0.020 1 41 11 11 SER HB2 H 4.109 0.020 2 42 11 11 SER HB3 H 4.306 0.020 2 43 12 12 LYS H H 8.133 0.020 1 44 12 12 LYS HA H 4.694 0.020 1 45 12 12 LYS HB2 H 1.760 0.020 2 46 12 12 LYS HB3 H 1.939 0.020 2 47 12 12 LYS HE2 H 3.208 0.020 2 48 12 12 LYS HE3 H 3.351 0.020 2 49 13 13 ARG H H 8.432 0.020 1 50 13 13 ARG HA H 4.592 0.020 1 51 13 13 ARG HB2 H 1.967 0.020 2 52 13 13 ARG HB3 H 2.070 0.020 2 53 13 13 ARG HG2 H 1.529 0.020 2 54 13 13 ARG HG3 H 1.602 0.020 2 55 13 13 ARG HD2 H 3.133 0.020 1 56 15 15 CYS H H 9.054 0.020 1 57 15 15 CYS HA H 5.161 0.020 1 58 15 15 CYS HB2 H 2.714 0.020 2 59 15 15 CYS HB3 H 3.333 0.020 2 60 16 16 CYS H H 9.214 0.020 1 61 16 16 CYS HA H 4.794 0.020 1 62 16 16 CYS HB2 H 2.950 0.020 2 63 16 16 CYS HB3 H 3.539 0.020 2 64 17 17 GLU H H 8.110 0.020 1 65 17 17 GLU HA H 4.384 0.020 1 66 18 18 GLY H H 8.837 0.020 1 67 18 18 GLY HA2 H 4.333 0.020 2 68 18 18 GLY HA3 H 3.752 0.020 2 69 19 19 LEU H H 7.671 0.020 1 70 19 19 LEU HA H 5.233 0.020 1 71 19 19 LEU HB2 H 1.384 0.020 2 72 19 19 LEU HB3 H 2.249 0.020 2 73 19 19 LEU HG H 1.511 0.020 1 74 19 19 LEU HD1 H 0.980 0.020 2 75 19 19 LEU HD2 H 0.849 0.020 2 76 20 20 ARG H H 9.273 0.020 1 77 20 20 ARG HA H 4.793 0.020 1 78 20 20 ARG HB2 H 1.812 0.020 1 79 20 20 ARG HG2 H 1.581 0.020 2 80 20 20 ARG HG3 H 1.663 0.020 2 81 20 20 ARG HD3 H 3.284 0.020 1 82 21 21 CYS H H 9.207 0.020 1 83 21 21 CYS HA H 4.654 0.020 1 84 21 21 CYS HB2 H 2.616 0.020 1 85 22 22 LYS H H 8.347 0.020 1 86 22 22 LYS HA H 4.225 0.020 1 87 23 23 LEU H H 8.835 0.020 1 88 23 23 LEU HA H 4.051 0.020 1 89 23 23 LEU HB2 H 2.428 0.020 2 90 23 23 LEU HB3 H 1.748 0.020 2 91 23 23 LEU HG H 1.602 0.020 1 92 23 23 LEU HD1 H 1.050 0.020 1 93 24 24 TRP H H 8.561 0.020 1 94 24 24 TRP HA H 5.501 0.020 1 95 24 24 TRP HB2 H 2.911 0.020 2 96 24 24 TRP HB3 H 3.214 0.020 2 97 24 24 TRP HD1 H 7.139 0.020 1 98 24 24 TRP HE1 H 10.485 0.020 1 99 25 25 CYS H H 8.955 0.020 1 100 25 25 CYS HA H 4.947 0.020 1 101 25 25 CYS HB2 H 2.990 0.020 2 102 25 25 CYS HB3 H 3.706 0.020 2 103 26 26 ARG H H 9.731 0.020 1 104 26 26 ARG HA H 5.249 0.020 1 105 26 26 ARG HB2 H 1.895 0.020 2 106 26 26 ARG HB3 H 2.217 0.020 2 107 26 26 ARG HG2 H 1.696 0.020 1 108 26 26 ARG HD2 H 2.988 0.020 2 109 26 26 ARG HD3 H 3.189 0.020 2 110 26 26 ARG HE H 6.220 0.020 1 111 27 27 LYS H H 8.724 0.020 1 112 27 27 LYS HA H 4.437 0.020 1 113 27 27 LYS HB2 H 1.657 0.020 2 114 27 27 LYS HB3 H 1.800 0.020 2 115 27 27 LYS HG2 H 1.138 0.020 2 116 27 27 LYS HG3 H 1.293 0.020 2 117 27 27 LYS HD2 H 1.879 0.020 1 118 27 27 LYS HE2 H 2.313 0.020 1 119 28 28 GLU H H 8.274 0.020 1 120 28 28 GLU HA H 4.496 0.020 1 121 28 28 GLU HB2 H 1.997 0.020 2 122 28 28 GLU HB3 H 2.118 0.020 2 123 28 28 GLU HG2 H 2.404 0.020 1 124 29 29 ILE H H 8.176 0.020 1 125 29 29 ILE HA H 4.282 0.020 1 126 29 29 ILE HB H 1.973 0.020 1 127 29 29 ILE HG12 H 1.296 0.020 1 128 29 29 ILE HD1 H 1.041 0.020 1 stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details . _Experiment_label '2D 1H-1H NOESY' _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 30411 >> _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 NOESY' >> _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 . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 2 >># Number of peaks 353 >># FORMAT cyana3D >># INAME 1 H >># INAME 2 h >># CYANAFORMAT Hh >> 1 5.495 8.952 1 U 3.36e+06 0 e 0 101 159 0 >> 2 5.245 8.726 1 U 3.51e+06 0 e 0 111 161 0 >> 3 5.227 9.270 1 U 3.21e+06 0 e 0 77 154 0 >> 4 5.152 9.206 1 U 4.5e+06 0 e 0 64 150 0 >> 5 5.128 9.087 1 U 4.22e+06 0 e 0 11 137 0 >> 6 5.093 8.876 1 U 9.82e+05 0 e 0 27 141 0 >> 7 4.943 8.952 1 U 1.06e+06 0 e 0 107 159 0 >> 8 4.787 9.271 1 U 9.29e+05 0 e 0 84 154 0 >> 9 4.786 9.213 1 U 5.58e+06 0 e 0 68 150 0 >> 10 4.672 8.952 1 U 7.38e+05 0 e 0 33 159 0 >> 11 4.650 9.206 1 U 1.41e+06 0 e 0 90 155 0 >> 12 4.641 9.054 1 U 5.17e+06 0 e 0 3 137 0 >> 13 4.433 9.271 1 U 2.7e+05 0 e 0 119 154 0 >> 14 4.434 8.726 1 U 1.16e+06 0 e 0 119 161 0 >> 15 4.379 8.834 1 U 4.69e+06 0 e 0 72 152 0 >> 16 4.340 9.144 1 U 3.68e+06 0 e 0 74 164 0 >> 17 4.220 8.834 1 U 5.55e+06 0 e 0 93 157 0 >> 18 4.045 8.834 1 U 4.16e+06 0 e 0 95 157 0 >> 19 5.496 8.554 1 U 9.6e+05 0 e 0 101 158 0 >> 20 5.496 8.057 1 U 1.53e+06 0 e 0 101 143 0 >> 21 5.353 8.616 1 U 4.56e+06 0 e 0 37 144 0 >> 22 5.353 8.056 1 U 1.06e+06 0 e 0 37 143 0 >> 23 5.245 7.852 1 U 2.28e+06 0 e 0 111 14 0 >> 24 5.230 8.272 1 U 5.28e+05 0 e 0 77 162 0 >> 25 5.227 7.667 1 U 8.35e+05 0 e 0 77 153 0 >> 26 5.123 7.827 1 U 1.34e+06 0 e 0 11 138 0 >> 27 5.093 8.537 1 U 4.22e+06 0 e 0 27 142 0 >> 28 4.887 7.826 1 U 3.79e+06 0 e 0 107 138 0 >> 29 4.786 8.106 1 U 5.16e+06 0 e 0 68 151 0 >> 30 4.704 8.445 1 U 3.79e+05 0 e 0 48 145 0 >> 31 4.688 8.126 1 U 9.05e+05 0 e 0 48 146 0 >> 32 4.673 8.539 1 U 1.51e+06 0 e 0 33 142 0 >> 33 4.673 8.057 1 U 4.14e+06 0 e 0 33 143 0 >> 34 4.652 8.346 1 U 4.18e+06 0 e 0 90 156 0 >> 35 4.628 7.863 1 U 2.59e+06 0 e 0 3 138 0 >> 36 4.604 8.616 1 U 1.82e+06 0 e 0 40 144 0 >> 37 4.600 8.440 1 U 1.99e+06 0 e 0 54 147 0 >> 38 4.492 8.173 1 U 1.92e+06 0 e 0 127 163 0 >> 39 4.441 8.057 1 U 1.31e+06 0 e 0 34 143 0 >> 40 4.440 8.537 1 U 1.59e+06 0 e 0 34 142 0 >> 41 4.434 8.272 1 U 3.78e+06 0 e 0 119 162 0 >> 42 4.383 8.106 1 U 1.08e+06 0 e 0 72 151 0 >> 43 4.329 7.667 1 U 4.59e+05 0 e 0 74 153 0 >> 44 4.299 8.444 1 U 1.34e+06 0 e 0 44 145 0 >> 45 4.221 8.346 1 U 2e+06 0 e 0 93 156 0 >> 46 4.103 8.446 1 U 1.49e+06 0 e 0 45 145 0 >> 47 4.045 8.557 1 U 4.21e+05 0 e 0 95 158 0 >> 48 5.496 7.136 1 U 3.89e+05 0 e 0 101 104 0 >> 49 5.349 7.206 1 U 4.64e+05 0 e 0 37 30 0 >> 50 5.093 7.208 1 U 2.19e+06 0 e 0 27 30 0 >> 51 4.701 7.191 1 U 3.32e+05 0 e 0 48 30 0 >> 52 4.676 7.136 1 U 3.11e+05 0 e 0 33 104 0 >> 53 4.631 7.206 1 U 3.12e+05 0 e 0 3 30 0 >> 54 3.755 8.538 1 U 7.53e+05 0 e 0 29 142 0 >> 55 3.754 7.208 1 U 9.06e+05 0 e 0 29 30 0 >> 56 3.749 8.835 1 U 2e+06 0 e 0 75 152 0 >> 57 3.749 7.668 1 U 4.16e+05 0 e 0 75 153 0 >> 58 3.711 8.874 1 U 1.08e+06 0 e 0 165 141 0 >> 59 3.730 7.136 1 U 3.33e+06 0 e 0 165 104 0 >> 60 3.727 9.144 1 U 3.2e+06 0 e 0 165 164 0 >> 61 3.704 8.952 1 U 1.94e+06 0 e 0 109 159 0 >> 62 3.568 8.875 1 U 1.04e+06 0 e 0 28 141 0 >> 63 3.565 8.537 1 U 1.63e+06 0 e 0 28 142 0 >> 64 3.566 7.863 1 U 1.32e+06 0 e 0 28 138 0 >> 65 3.565 7.207 1 U 1.19e+06 0 e 0 28 30 0 >> 66 3.562 8.803 1 U 7.58e+05 0 e 0 201 157 0 >> 67 3.555 8.952 1 U 4.72e+05 0 e 0 201 159 0 >> 68 3.554 8.616 1 U 4.67e+06 0 e 0 201 144 0 >> 69 3.555 8.444 1 U 8.58e+04 0 e 0 201 147 0 >> 70 3.554 8.057 1 U 9.76e+05 0 e 0 201 143 0 >> 71 3.547 9.056 1 U 6.26e+05 0 e 0 201 149 0 >> 72 3.535 8.108 1 U 5.2e+05 0 e 0 70 151 0 >> 73 3.525 9.210 1 U 2.72e+06 0 e 0 70 150 0 >> 74 3.513 8.346 1 U 2.57e+06 0 e 0 201 156 0 >> 75 3.359 8.616 1 U 5.01e+05 0 e 0 42 144 0 >> 76 3.359 8.449 1 U 1.57e+06 0 e 0 42 145 0 >> 77 3.347 7.192 1 U 6.3e+05 0 e 0 52 30 0 >> 78 3.326 7.667 1 U 3.59e+05 0 e 0 66 153 0 >> 79 3.324 9.056 1 U 9.04e+05 0 e 0 66 149 0 >> 80 3.318 9.206 1 U 1.29e+06 0 e 0 66 155 0 >> 81 3.310 8.617 1 U 3.67e+05 0 e 0 41 144 0 >> 82 3.306 8.449 1 U 2.25e+06 0 e 0 41 145 0 >> 83 3.287 9.086 1 U 9.2e+05 0 e 0 13 137 0 >> 84 3.284 7.356 1 U 5.81e+05 0 e 0 13 192 0 >> 85 3.213 8.952 1 U 1.2e+06 0 e 0 103 159 0 >> 86 3.213 7.608 1 U 1.5e+06 0 e 0 103 200 0 >> 87 3.212 8.554 1 U 4.41e+05 0 e 0 103 158 0 >> 88 3.209 7.137 1 U 1.1e+06 0 e 0 103 104 0 >> 89 3.207 7.357 1 U 6e+05 0 e 0 103 199 0 >> 90 3.193 7.204 1 U 4.94e+05 0 e 0 51 30 0 >> 91 3.184 9.145 1 U 3.7e+05 0 e 0 115 164 0 >> 92 3.181 7.851 1 U 8.44e+05 0 e 0 115 14 0 >> 93 3.127 7.220 1 U 3.98e+05 0 e 0 57 30 0 >> 94 2.984 9.271 1 U 2.2e+05 0 e 0 108 154 0 >> 95 2.983 8.952 1 U 9.88e+05 0 e 0 108 159 0 >> 96 2.984 8.875 1 U 3.48e+05 0 e 0 108 141 0 >> 97 2.971 9.087 1 U 1.44e+06 0 e 0 108 137 0 >> 98 2.972 8.346 1 U 3.94e+05 0 e 0 108 156 0 >> 99 2.950 9.211 1 U 2.41e+06 0 e 0 69 150 0 >>100 2.947 8.107 1 U 3.48e+05 0 e 0 69 151 0 >>101 2.909 9.145 1 U 2.23e+05 0 e 0 7 164 0 >>102 2.908 8.952 1 U 2.12e+06 0 e 0 102 159 0 >>103 2.909 8.552 1 U 3.87e+05 0 e 0 102 158 0 >>104 2.908 7.608 1 U 9.03e+05 0 e 0 102 200 0 >>105 2.908 7.136 1 U 1.3e+06 0 e 0 102 104 0 >>106 2.907 8.875 1 U 2.36e+05 0 e 0 7 141 0 >>107 2.899 9.087 1 U 9.25e+05 0 e 0 7 137 0 >>108 2.899 7.206 1 U 9.43e+05 0 e 0 7 30 0 >>109 2.899 8.803 1 U 1.21e+06 0 e 0 102 157 0 >>110 8.130 8.616 1 U 1.21e+06 0 e 0 146 144 0 >>111 8.106 8.833 1 U 4.59e+05 0 e 0 151 152 0 >>112 7.853 8.726 1 U 8.43e+05 0 e 0 14 161 0 >>113 7.669 8.834 1 U 1.65e+06 0 e 0 153 152 0 >>114 7.209 8.876 1 U 1.29e+06 0 e 0 30 141 0 >>115 7.208 8.537 1 U 5.44e+05 0 e 0 30 142 0 >>116 7.138 9.144 1 U 6.52e+05 0 e 0 104 164 0 >>117 7.137 8.952 1 U 4.05e+05 0 e 0 104 159 0 >>118 8.347 9.206 1 U 3.35e+05 0 e 0 156 155 0 >>119 8.559 8.834 1 U 3.87e+05 0 e 0 158 157 0 >>120 8.273 8.726 1 U 5.13e+05 0 e 0 162 161 0 >>121 7.208 7.863 1 U 1.22e+06 0 e 0 30 138 0 >>122 9.083 9.206 1 U 9.33e+05 0 e 0 137 150 0 >>123 8.954 9.145 1 U 3.71e+05 0 e 0 159 164 0 >>124 8.877 9.144 1 U 1.01e+06 0 e 0 141 164 0 >>125 9.272 9.729 1 U 8.73e+05 0 e 0 154 160 0 >>126 7.209 10.246 1 U 3.94e+06 0 e 0 30 31 0 >>127 7.137 10.486 1 U 3.9e+06 0 e 0 104 105 0 >>128 2.713 9.272 1 U 9.66e+04 0 e 0 65 154 0 >>129 2.709 9.054 1 U 1.96e+06 0 e 0 65 149 0 >>130 2.608 9.205 1 U 1.66e+06 0 e 0 91 155 0 >>131 2.607 8.346 1 U 1.18e+06 0 e 0 91 156 0 >>132 2.457 9.207 1 U 2.48e+05 0 e 0 6 150 0 >>133 2.458 9.087 1 U 7.33e+05 0 e 0 6 137 0 >>134 2.459 7.863 1 U 5.93e+05 0 e 0 6 138 0 >>135 2.457 7.207 1 U 4.72e+05 0 e 0 6 30 0 >>136 2.420 8.834 1 U 3.02e+05 0 e 0 96 157 0 >>137 2.417 8.558 1 U 1.17e+06 0 e 0 96 158 0 >>138 2.398 8.272 1 U 3.71e+05 0 e 0 130 162 0 >>139 2.312 7.205 1 U 2.49e+05 0 e 0 5 30 0 >>140 2.311 9.205 1 U 5.54e+05 0 e 0 5 150 0 >>141 2.230 9.271 1 U 5.74e+05 0 e 0 79 154 0 >>142 2.233 7.667 1 U 1.17e+06 0 e 0 79 153 0 >>143 2.229 9.207 1 U 5e+05 0 e 0 79 150 0 >>144 2.218 9.087 1 U 1.69e+06 0 e 0 4 137 0 >>145 2.216 7.206 1 U 4.71e+05 0 e 0 4 30 0 >>146 2.214 7.856 1 U 3.64e+05 0 e 0 4 138 0 >>147 2.208 8.726 1 U 1.07e+06 0 e 0 113 161 0 >>148 2.184 8.346 1 U 2.07e+06 0 e 0 197 156 0 >>149 2.129 8.272 1 U 4.25e+05 0 e 0 129 162 0 >>150 2.115 8.834 1 U 3.53e+05 0 e 0 129 152 0 >>151 2.114 8.346 1 U 1.5e+06 0 e 0 198 156 0 >>152 2.057 8.432 1 U 8.25e+05 0 e 0 56 147 0 >>153 2.057 8.128 1 U 4.44e+05 0 e 0 56 146 0 >>154 1.994 8.272 1 U 1.04e+06 0 e 0 128 162 0 >>155 1.966 8.169 1 U 5.04e+05 0 e 0 133 163 0 >>156 1.957 8.432 1 U 1.63e+06 0 e 0 55 147 0 >>157 1.942 8.128 1 U 1.56e+06 0 e 0 50 146 0 >>158 1.931 8.617 1 U 1.21e+06 0 e 0 50 144 0 >>159 1.928 7.205 1 U 8.74e+05 0 e 0 50 30 0 >>160 1.892 8.726 1 U 5.53e+05 0 e 0 112 161 0 >>161 1.803 9.271 1 U 1.51e+06 0 e 0 85 154 0 >>162 1.803 9.213 1 U 1.02e+06 0 e 0 85 155 0 >>163 1.798 8.726 1 U 7.1e+05 0 e 0 121 161 0 >>164 1.798 8.272 1 U 7.77e+05 0 e 0 121 162 0 >>165 1.754 8.434 1 U 3.24e+05 0 e 0 49 147 0 >>166 1.753 8.616 1 U 3.64e+05 0 e 0 49 144 0 >>167 1.751 7.190 1 U 8.52e+05 0 e 0 49 30 0 >>168 1.749 8.126 1 U 1.24e+06 0 e 0 49 146 0 >>169 1.735 8.832 1 U 4.05e+05 0 e 0 97 157 0 >>170 1.735 8.558 1 U 6.93e+05 0 e 0 97 158 0 >>171 1.648 8.726 1 U 1.49e+06 0 e 0 120 161 0 >>172 1.650 8.272 1 U 3.44e+05 0 e 0 120 162 0 >>173 1.637 7.854 1 U 3.64e+05 0 e 0 120 14 0 >>174 1.619 8.833 1 U 4.71e+05 0 e 0 99 157 0 >>175 1.617 8.616 1 U 5.82e+05 0 e 0 59 144 0 >>176 1.599 8.432 1 U 5.13e+05 0 e 0 59 147 0 >>177 1.600 7.206 1 U 5.28e+05 0 e 0 59 30 0 >>178 1.596 9.054 1 U 2.31e+06 0 e 0 59 149 0 >>179 1.572 9.270 1 U 3.32e+05 0 e 0 87 154 0 >>180 1.569 7.136 1 U 3.45e+05 0 e 0 166 104 0 >>181 1.529 8.431 1 U 3.35e+05 0 e 0 58 147 0 >>182 1.518 7.206 1 U 3.49e+05 0 e 0 58 30 0 >>183 1.511 8.537 1 U 1.75e+06 0 e 0 172 142 0 >>184 1.511 8.057 1 U 8.19e+05 0 e 0 172 143 0 >>185 1.502 7.667 1 U 1.05e+06 0 e 0 82 153 0 >>186 1.374 7.667 1 U 6.13e+05 0 e 0 78 153 0 >>187 1.372 9.270 1 U 1.1e+06 0 e 0 78 154 0 >>188 1.108 8.726 1 U 5.63e+05 0 e 0 124 161 0 >>189 1.106 7.852 1 U 4.89e+05 0 e 0 124 14 0 >>190 1.055 8.834 1 U 7.78e+05 0 e 0 98 157 0 >>191 0.972 9.206 1 U 1.65e+06 0 e 0 80 150 0 >>192 0.972 9.144 1 U 3.84e+05 0 e 0 80 164 0 >>193 0.972 7.667 1 U 4.67e+05 0 e 0 80 153 0 >>194 0.849 9.271 1 U 6.51e+05 0 e 0 81 154 0 >>195 0.849 9.144 1 U 3.64e+05 0 e 0 81 164 0 >>196 0.849 8.727 1 U 4.69e+05 0 e 0 81 161 0 >>197 0.848 8.272 1 U 5.05e+05 0 e 0 81 162 0 >>198 0.848 7.853 1 U 2.28e+06 0 e 0 81 14 0 >>199 0.849 7.668 1 U 4.17e+05 0 e 0 81 153 0 >>200 0.177 7.136 1 U 3.45e+05 0 e 0 170 104 0 >>201 2.982 9.728 1 U 5.09e+05 0 e 0 108 160 0 >>202 2.211 9.728 1 U 5.47e+05 0 e 0 113 160 0 >>203 1.892 9.728 1 U 9.27e+05 0 e 0 112 160 0 >>204 1.803 9.729 1 U 2.02e+05 0 e 0 85 160 0 >>205 1.700 9.728 1 U 5.12e+05 0 e 0 117 160 0 >>206 5.241 9.727 1 U 7.4e+05 0 e 0 111 160 0 >>207 4.942 9.728 1 U 3.92e+06 0 e 0 107 160 0 >>208 4.787 9.728 1 U 5.83e+05 0 e 0 84 160 0 >>209 7.854 11.006 1 U 4.07e+06 0 e 0 14 15 0 >>210 5.245 11.006 1 U 8.36e+05 0 e 0 111 15 0 >>211 1.108 11.006 1 U 4.06e+05 0 e 0 124 15 0 >>212 8.728 11.007 1 U 1.45e+06 0 e 0 161 15 0 >>213 3.181 6.215 1 U 5.89e+05 0 e 0 115 116 0 >>214 2.985 6.215 1 U 7.42e+05 0 e 0 114 116 0 >>215 1.646 6.215 1 U 1.19e+06 0 e 0 120 116 0 >>216 3.758 5.346 1 U 5.66e+05 0 e 0 29 37 0 >>217 3.554 5.352 1 U 7.78e+06 0 e 0 201 37 0 >>218 3.286 5.123 1 U 1.98e+06 0 e 0 13 11 0 >>219 3.214 5.494 1 U 1.98e+06 0 e 0 103 101 0 >>220 2.908 5.494 1 U 1.87e+06 0 e 0 102 101 0 >>221 2.900 5.351 1 U 1.12e+06 0 e 0 7 37 0 >>222 2.709 5.158 1 U 4.69e+05 0 e 0 65 64 0 >>223 2.459 5.348 1 U 6.07e+05 0 e 0 6 37 0 >>224 2.457 5.149 1 U 4.77e+05 0 e 0 6 64 0 >>225 2.312 5.348 1 U 4.04e+05 0 e 0 5 37 0 >>226 2.310 5.151 1 U 1.03e+06 0 e 0 5 64 0 >>227 2.218 5.350 1 U 5.39e+05 0 e 0 4 37 0 >>228 2.214 5.239 1 U 1.4e+06 0 e 0 79 111 0 >>229 1.930 5.351 1 U 9.91e+05 0 e 0 50 37 0 >>230 1.893 5.244 1 U 7.02e+05 0 e 0 112 111 0 >>231 1.659 5.243 1 U 6.88e+05 0 e 0 120 111 0 >>232 1.614 5.348 1 U 1.3e+06 0 e 0 59 37 0 >>233 1.511 5.493 1 U 3.23e+05 0 e 0 172 101 0 >>234 1.501 5.226 1 U 5.42e+05 0 e 0 82 77 0 >>235 1.373 5.226 1 U 1.07e+06 0 e 0 78 77 0 >>236 0.972 5.228 1 U 3.67e+05 0 e 0 80 77 0 >>237 0.849 5.228 1 U 1.88e+06 0 e 0 81 77 0 >>238 0.829 5.345 1 U 4.93e+05 0 e 0 81 37 0 >>239 4.673 5.494 1 U 3.85e+06 0 e 0 33 101 0 >>240 4.646 5.127 1 U 4.56e+05 0 e 0 3 64 0 >>241 4.627 5.346 1 U 3.81e+06 0 e 0 3 37 0 >>242 2.416 4.043 1 U 8.96e+05 0 e 0 96 95 0 >>243 1.966 4.277 1 U 4.3e+05 0 e 0 133 132 0 >>244 1.799 4.429 1 U 3.4e+05 0 e 0 121 119 0 >>245 1.737 4.043 1 U 1.49e+06 0 e 0 97 95 0 >>246 1.597 4.043 1 U 4.15e+05 0 e 0 99 95 0 >>247 1.056 4.043 1 U 1.77e+06 0 e 0 98 95 0 >>248 0.974 4.332 1 U 5.52e+05 0 e 0 80 74 0 >>249 0.849 4.431 1 U 5.41e+05 0 e 0 81 119 0 >>250 0.849 4.334 1 U 4.57e+05 0 e 0 81 74 0 >>251 3.746 4.314 1 U 2.38e+06 0 e 0 75 74 0 >>252 1.035 2.414 1 U 8.8e+05 0 e 0 98 96 0 >>253 0.972 3.698 1 U 5.26e+05 0 e 0 80 109 0 >>254 0.972 3.513 1 U 2.45e+05 0 e 0 80 70 0 >>255 0.972 3.328 1 U 9.02e+05 0 e 0 80 66 0 >>256 0.974 3.178 1 U 5.67e+05 0 e 0 80 115 0 >>257 0.972 2.987 1 U 9.44e+05 0 e 0 80 114 0 >>258 0.972 2.707 1 U 4.1e+05 0 e 0 80 65 0 >>259 0.972 2.607 1 U 1.15e+06 0 e 0 80 91 0 >>260 0.972 2.232 1 U 1.2e+06 0 e 0 80 79 0 >>261 0.848 3.331 1 U 7.21e+05 0 e 0 81 66 0 >>262 0.850 3.177 1 U 7.81e+05 0 e 0 81 115 0 >>263 0.849 2.231 1 U 6.33e+05 0 e 0 81 79 0 >>264 0.845 2.987 1 U 5.1e+05 0 e 0 81 114 0 >>265 0.584 3.727 1 U 1.79e+05 0 e 0 169 165 0 >>266 0.176 3.729 1 U 4.3e+05 0 e 0 170 165 0 >>267 2.709 3.319 1 U 3.21e+06 0 e 0 65 66 0 >>268 2.608 3.512 1 U 1.89e+06 0 e 0 91 70 0 >>269 2.458 3.750 1 U 5.22e+05 0 e 0 6 29 0 >>270 2.455 2.897 1 U 7.49e+05 0 e 0 6 7 0 >>271 2.311 3.555 1 U 6.04e+05 0 e 0 5 201 0 >>272 2.311 2.983 1 U 1.32e+05 0 e 0 5 108 0 >>273 2.312 2.898 1 U 8.09e+05 0 e 0 5 7 0 >>274 2.232 3.316 1 U 1.43e+06 0 e 0 79 66 0 >>275 2.219 3.553 1 U 4.77e+05 0 e 0 4 201 0 >>276 2.217 2.896 1 U 2.95e+06 0 e 0 4 7 0 >>277 1.931 3.339 1 U 4.17e+05 0 e 0 50 52 0 >>278 1.926 3.731 1 U 4.69e+05 0 e 0 167 165 0 >>279 1.905 3.185 1 U 4.96e+05 0 e 0 112 115 0 >>280 1.894 2.985 1 U 4.16e+05 0 e 0 112 114 0 >>281 1.799 3.276 1 U 7.03e+05 0 e 0 85 86 0 >>282 1.747 3.202 1 U 1.28e+06 0 e 0 49 51 0 >>283 1.666 3.274 1 U 8.78e+05 0 e 0 88 86 0 >>284 1.659 2.985 1 U 9.35e+05 0 e 0 120 114 0 >>285 1.627 3.185 1 U 8.66e+05 0 e 0 120 115 0 >>286 1.622 2.904 1 U 5.62e+05 0 e 0 59 7 0 >>287 1.612 3.336 1 U 5.82e+05 0 e 0 59 52 0 >>288 1.607 3.552 1 U 4.33e+05 0 e 0 59 201 0 >>289 1.583 3.273 1 U 6.86e+05 0 e 0 87 86 0 >>290 1.566 3.730 1 U 8.6e+05 0 e 0 166 165 0 >>291 1.511 3.198 1 U 4.26e+05 0 e 0 82 115 0 >>292 1.503 3.317 1 U 3.72e+05 0 e 0 82 66 0 >>293 1.486 2.989 1 U 6.2e+05 0 e 0 82 108 0 >>294 1.373 3.697 1 U 3.16e+05 0 e 0 78 109 0 >>295 1.373 3.318 1 U 7.29e+05 0 e 0 78 66 0 >>296 3.313 3.535 1 U 1.25e+05 0 e 0 66 201 0 >>297 3.209 3.728 1 U 3.28e+05 0 e 0 103 165 0 >>298 2.983 3.696 1 U 2.68e+06 0 e 0 108 109 0 >>299 2.946 3.526 1 U 3.9e+06 0 e 0 69 70 0 >>300 2.906 3.730 1 U 6.29e+05 0 e 0 102 165 0 >>301 3.568 3.751 1 U 3.26e+06 0 e 0 28 29 0 >>302 2.983 3.174 1 U 3.88e+06 0 e 0 114 115 0 >>303 2.971 3.271 1 U 5.38e+06 0 e 0 12 13 0 >>304 2.908 3.202 1 U 4.97e+06 0 e 0 102 103 0 >>305 3.187 3.337 1 U 9.35e+06 0 e 0 51 52 0 >>306 2.234 2.706 1 U 8.33e+05 0 e 0 79 65 0 >>307 1.373 2.707 1 U 4.31e+05 0 e 0 78 65 0 >>308 1.892 2.319 1 U 3.92e+05 0 e 0 122 123 0 >>309 1.894 2.202 1 U 3.04e+06 0 e 0 112 113 0 >>310 1.738 2.415 1 U 3.63e+06 0 e 0 97 96 0 >>311 1.654 2.210 1 U 6.83e+05 0 e 0 120 113 0 >>312 1.618 2.313 1 U 1.58e+05 0 e 0 59 5 0 >>313 1.501 2.231 1 U 8.06e+05 0 e 0 82 79 0 >>314 2.214 2.448 1 U 1.7e+06 0 e 0 4 6 0 >>315 2.135 2.387 1 U 1.44e+06 0 e 0 129 130 0 >>316 2.005 2.390 1 U 6.5e+05 0 e 0 128 130 0 >>317 2.309 2.452 1 U 2.58e+06 0 e 0 5 6 0 >>318 1.748 1.916 1 U 3.85e+06 0 e 0 49 50 0 >>319 1.596 2.061 1 U 4.57e+05 0 e 0 59 56 0 >>320 1.568 1.925 1 U 3.44e+06 0 e 0 166 167 0 >>321 1.529 2.060 1 U 3.64e+05 0 e 0 58 56 0 >>322 0.146 1.923 1 U 4.79e+05 0 e 0 170 167 0 >>323 0.148 1.565 1 U 4.46e+05 0 e 0 170 166 0 >>324 1.042 1.602 1 U 2.41e+06 0 e 0 98 99 0 >>325 1.038 1.733 1 U 1.33e+06 0 e 0 98 97 0 >>326 0.972 1.500 1 U 1.78e+06 0 e 0 80 82 0 >>327 0.970 1.378 1 U 9.9e+05 0 e 0 80 78 0 >>328 0.847 1.497 1 U 2.17e+06 0 e 0 81 82 0 >>329 0.849 1.376 1 U 1.34e+06 0 e 0 81 78 0 >>330 0.840 1.615 1 U 4.92e+05 0 e 0 81 120 0 >>331 0.980 1.280 1 U 1.57e+06 0 e 0 80 125 0 >>332 0.367 0.679 1 U 8.39e+05 0 e 0 168 171 0 >>333 0.362 0.560 1 U 3.42e+06 0 e 0 168 169 0 >>334 0.149 0.701 1 U 3.14e+05 0 e 0 170 171 0 >>335 0.849 1.128 1 U 5.74e+05 0 e 0 81 124 0 >>336 0.847 0.970 1 U 3.74e+06 0 e 0 81 80 0 >>337 0.151 9.142 1 U 2.69e+05 0 e 0 170 164 0 >>338 4.637 9.085 1 U 1.1e+06 0 e 0 3 137 0 >>339 4.323 8.831 1 U 1.14e+06 0 e 0 74 152 0 >>340 2.190 8.831 1 U 3.63e+05 0 e 0 113 152 0 >>341 3.291 8.348 1 U 2.55e+05 0 e 0 86 156 0 >>342 3.327 5.159 1 U 7.86e+05 0 e 0 66 64 0 >>343 1.706 5.245 1 U 3.88e+05 0 e 0 117 111 0 >>344 2.458 3.568 1 U 6.28e+05 0 e 0 6 28 0 >>345 1.373 2.233 1 U 2.49e+06 0 e 0 78 79 0 >>346 1.716 2.213 1 U 6.85e+05 0 e 0 117 113 0 >>347 11.008 7.734 1 U 1.75e+06 0 e 0 15 193 0 >>348 10.492 7.608 1 U 1.83e+06 0 e 0 105 200 0 >>349 10.250 7.745 1 U 1.5e+06 0 e 0 31 196 0 >>350 7.738 7.394 1 U 2.99e+06 0 e 0 193 192 0 >>351 7.388 7.304 1 U 9.21e+06 0 e 0 192 194 0 >>352 7.744 7.301 1 U 2.84e+06 0 e 0 196 195 0 >>353 7.610 7.387 1 U 5.53e+06 0 e 0 200 199 0 >>1001 5.347 7.863 1 U 1.72e+06 0 e 0 0 0 0 >>1002 4.943 8.107 1 U 7.11e+05 0 e 0 0 0 0 >>1003 4.685 7.941 1 U 4.47e+06 0 e 0 0 0 0 >>1004 4.628 7.464 1 U 4.8e+05 0 e 0 0 0 0 >>1005 4.599 8.128 1 U 6.53e+05 0 e 0 0 0 0 >>1006 4.339 7.992 1 U 1.37e+06 0 e 0 0 0 0 >>1007 4.339 7.852 1 U 3.38e+06 0 e 0 0 0 0 >>1008 4.221 7.668 1 U 7.15e+05 0 e 0 0 0 0 >>1009 5.245 7.298 1 U 3.4e+05 0 e 0 0 0 0 >>1010 5.244 7.136 1 U 4.9e+05 0 e 0 0 0 0 >>1011 4.886 7.357 1 U 3.5e+05 0 e 0 0 0 0 >>1012 4.710 7.310 1 U 4.36e+05 0 e 0 0 0 0 >>1013 3.744 7.858 1 U 1.05e+06 0 e 0 0 0 0 >>1014 3.730 7.609 1 U 1.12e+06 0 e 0 0 0 0 >>1015 3.337 7.992 1 U 2.59e+06 0 e 0 0 0 0 >>1016 3.338 7.740 1 U 2.02e+06 0 e 0 0 0 0 >>1017 3.333 7.852 1 U 5.43e+05 0 e 0 0 0 0 >>1018 3.285 7.826 1 U 9.9e+05 0 e 0 0 0 0 >>1019 3.177 7.992 1 U 3.16e+06 0 e 0 0 0 0 >>1020 3.179 7.741 1 U 1.12e+06 0 e 0 0 0 0 >>1021 2.984 9.145 1 U 4.95e+05 0 e 0 0 0 0 >>1022 2.975 7.833 1 U 3.99e+05 0 e 0 0 0 0 >>1023 8.106 8.558 1 U 9.24e+05 0 e 0 0 0 0 >>1024 7.864 8.803 1 U 6.34e+05 0 e 0 0 0 0 >>1025 7.853 9.144 1 U 1.82e+06 0 e 0 0 0 0 >>1026 7.611 8.557 1 U 4.09e+05 0 e 0 0 0 0 >>1027 7.208 8.803 1 U 1.21e+07 0 e 0 0 0 0 >>1028 7.138 8.555 1 U 2.54e+05 0 e 0 0 0 0 >>1029 8.129 8.432 1 U 3.72e+06 0 e 0 0 0 0 >>1030 7.943 8.128 1 U 4.03e+05 0 e 0 0 0 0 >>1031 7.500 7.742 1 U 4.11e+06 0 e 0 0 0 0 >>1032 7.466 7.863 1 U 2.57e+06 0 e 0 0 0 0 >>1033 7.396 7.732 1 U 2.61e+06 0 e 0 0 0 0 >>1034 7.305 7.740 1 U 2.4e+06 0 e 0 0 0 0 >>1035 7.138 7.853 1 U 2.48e+05 0 e 0 0 0 0 >>1036 7.134 7.673 1 U 1.48e+07 0 e 0 0 0 0 >>1037 7.382 7.603 1 U 6.13e+06 0 e 0 0 0 0 >>1038 7.299 7.604 1 U 4.03e+06 0 e 0 0 0 0 >>1039 7.137 7.606 1 U 2.7e+06 0 e 0 0 0 0 >>1040 7.059 7.351 1 U 6.77e+06 0 e 0 0 0 0 >>1041 6.934 7.213 1 U 1.2e+06 0 e 0 0 0 0 >>1042 7.747 10.246 1 U 1.45e+06 0 e 0 0 0 0 >>1043 7.608 10.486 1 U 1.49e+06 0 e 0 0 0 0 >>1044 2.711 9.207 1 U 7.41e+05 0 e 0 0 0 0 >>1045 2.416 7.608 1 U 9.47e+05 0 e 0 0 0 0 >>1046 2.416 7.137 1 U 4.22e+05 0 e 0 0 0 0 >>1047 2.394 9.271 1 U 1.05e+05 0 e 0 0 0 0 >>1048 2.312 8.803 1 U 3.18e+05 0 e 0 0 0 0 >>1049 2.311 9.087 1 U 1.33e+06 0 e 0 0 0 0 >>1050 2.215 8.806 1 U 6.87e+05 0 e 0 0 0 0 >>1051 1.945 7.942 1 U 3.6e+05 0 e 0 0 0 0 >>1052 1.750 7.941 1 U 4.81e+05 0 e 0 0 0 0 >>1053 1.735 7.608 1 U 9.49e+05 0 e 0 0 0 0 >>1054 1.735 7.297 1 U 3.67e+05 0 e 0 0 0 0 >>1055 1.717 7.136 1 U 7.21e+05 0 e 0 0 0 0 >>1056 1.664 7.137 1 U 7.7e+05 0 e 0 0 0 0 >>1057 1.635 8.113 1 U 1.18e+06 0 e 0 0 0 0 >>1058 1.614 8.557 1 U 2.51e+05 0 e 0 0 0 0 >>1059 1.611 7.992 1 U 2.67e+06 0 e 0 0 0 0 >>1060 1.596 7.941 1 U 4.86e+06 0 e 0 0 0 0 >>1061 1.468 7.744 1 U 6.12e+05 0 e 0 0 0 0 >>1062 1.032 7.607 1 U 4.54e+05 0 e 0 0 0 0 >>1063 1.030 7.297 1 U 6.46e+05 0 e 0 0 0 0 >>1064 0.972 7.992 1 U 1.59e+06 0 e 0 0 0 0 >>1065 0.972 7.852 1 U 5.41e+05 0 e 0 0 0 0 >>1066 0.843 7.992 1 U 7.51e+05 0 e 0 0 0 0 >>1067 0.362 7.733 1 U 5.35e+05 0 e 0 0 0 0 >>1068 0.167 7.852 1 U 3.24e+05 0 e 0 0 0 0 >>1069 -0.218 7.992 1 U 1.14e+06 0 e 0 0 0 0 >>1070 1.669 9.728 1 U 5.12e+05 0 e 0 0 0 0 >>1071 1.663 10.487 1 U 6.03e+05 0 e 0 0 0 0 >>1072 -0.217 10.246 1 U 4.27e+05 0 e 0 0 0 0 >>1073 7.734 11.006 1 U 1.25e+06 0 e 0 0 0 0 >>1074 3.839 5.345 1 U 1.03e+06 0 e 0 0 0 0 >>1075 3.566 5.090 1 U 5.36e+05 0 e 0 0 0 0 >>1076 2.972 5.123 1 U 1.76e+06 0 e 0 0 0 0 >>1077 2.222 5.139 1 U 4.09e+05 0 e 0 0 0 0 >>1078 0.603 5.346 1 U 9.72e+05 0 e 0 0 0 0 >>1079 -0.218 5.345 1 U 1.23e+06 0 e 0 0 0 0 >>1080 4.435 5.230 1 U 7.85e+05 0 e 0 0 0 0 >>1081 3.336 4.325 1 U 4.09e+05 0 e 0 0 0 0 >>1082 3.177 4.329 1 U 5.58e+05 0 e 0 0 0 0 >>1083 3.073 4.352 1 U 4.03e+05 0 e 0 0 0 0 >>1084 2.991 4.330 1 U 3.91e+05 0 e 0 0 0 0 >>1085 2.557 4.218 1 U 3.85e+05 0 e 0 0 0 0 >>1086 2.184 4.219 1 U 1.17e+06 0 e 0 0 0 0 >>1087 2.114 4.218 1 U 9.6e+05 0 e 0 0 0 0 >>1088 1.644 4.380 1 U 7.35e+05 0 e 0 0 0 0 >>1089 1.510 4.436 1 U 5.06e+05 0 e 0 0 0 0 >>1090 4.104 4.296 1 U 5.43e+06 0 e 0 0 0 0 >>1091 3.937 4.243 1 U 3.53e+05 0 e 0 0 0 0 >>1092 3.750 4.219 1 U 3.91e+05 0 e 0 0 0 0 >>1093 3.746 4.346 1 U 1.89e+06 0 e 0 0 0 0 >>1094 0.972 3.837 1 U 9.61e+05 0 e 0 0 0 0 >>1095 0.833 3.837 1 U 7.68e+05 0 e 0 0 0 0 >>1096 -0.217 3.838 1 U 6.24e+05 0 e 0 0 0 0 >>1097 2.220 2.985 1 U 6.72e+05 0 e 0 0 0 0 >>1098 2.209 3.179 1 U 3.78e+05 0 e 0 0 0 0 >>1099 1.807 3.096 1 U 1.13e+06 0 e 0 0 0 0 >>1100 1.751 3.340 1 U 1.72e+06 0 e 0 0 0 0 >>1101 1.610 3.838 1 U 1.05e+06 0 e 0 0 0 0 >>1102 1.373 2.986 1 U 7.61e+05 0 e 0 0 0 0 >>1103 1.598 2.418 1 U 6.6e+05 0 e 0 0 0 0 >>1104 2.045 2.430 1 U 4.2e+05 0 e 0 0 0 0 >>1105 2.189 2.549 1 U 5.3e+05 0 e 0 0 0 0 >>1106 2.118 2.562 1 U 4.73e+05 0 e 0 0 0 0 >>1107 -0.217 1.608 1 U 2.59e+06 0 e 0 0 0 0 >>1108 0.605 0.822 1 U 2.45e+06 0 e 0 0 0 0 >>1109 1.291 1.561 1 U 1.88e+06 0 e 0 0 0 0 >>1110 1.254 1.647 1 U 7.11e+05 0 e 0 0 0 0 >>1111 2.562 8.836 1 U 3.81e+05 0 e 0 0 0 0 >>1112 3.062 8.635 1 U 8.66e+03 0 e 0 0 0 0 >>1113 3.840 7.990 1 U 2.78e+06 0 e 0 0 0 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 . . 12 ppm . . . 4.76 . . 30411 1 >> 2 . . H 1 H . . 12 ppm . . . 4.76 . . 30411 1 >> >> stop_ >> >>save_ >> ; save_