data_30530 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Antimicrobial lasso peptide citrocin ; _BMRB_accession_number 30530 _BMRB_flat_file_name bmr30530.str _Entry_type original _Submission_date 2018-10-29 _Accession_date 2018-10-29 _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 Link A. J. . 2 Cheung-Lee W. L. . 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" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-09 update BMRB 'update entry citation' 2019-03-07 original author 'original release' stop_ _Original_release_date 2019-01-09 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Discovery and structure of the antimicrobial lasso peptide citrocin. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30846564 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cheung-Lee 'Wai Ling' L. . 2 Parry Madison E. . 3 'Jaramillo Cartagena' Alexis . . 4 Darst Seth A. . 5 Link 'A James' J. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 294 _Journal_issue 17 _Journal_ISSN 1083-351X _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6822 _Page_last 6830 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Citrocin _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 1901.173 _Mol_thiol_state 'not present' _Details 'Isopeptide bond between N-terminus and glutamic acid side chain' ############################## # Polymer residue sequence # ############################## _Residue_count 19 _Mol_residue_sequence ; GGVGKIIEYFIGGGVGRYG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 GLY 3 VAL 4 GLY 5 LYS 6 ILE 7 ILE 8 GLU 9 TYR 10 PHE 11 ILE 12 GLY 13 GLY 14 GLY 15 VAL 16 GLY 17 ARG 18 TYR 19 GLY 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 'Citrobacter pasteurii' 1563222 Bacteria . Citrobacter pasteurii 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 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '3.8 mg/mL citrocin, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 3.8 mg/mL 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name Mnova _Version 11.0 loop_ _Vendor _Address _Electronic_address 'Mestrelab Research' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 2.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name GROMACS _Version . loop_ _Vendor _Address _Electronic_address "HERMAN BERENDSEN'S GROUP" . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 800 _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 7 . pH pressure 1 . atm temperature 283 . 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 'Deuterium Oxide' H 1 protons ppm 4.80 internal 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' 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 1 1 GLY H H 7.696 0.000 . 2 1 1 GLY HA2 H 3.738 0.000 . 3 1 1 GLY HA3 H 3.800 0.000 . 4 2 2 GLY H H 8.380 0.000 . 5 2 2 GLY HA2 H 3.644 0.000 . 6 2 2 GLY HA3 H 4.206 0.000 . 7 3 3 VAL H H 8.228 0.000 . 8 3 3 VAL HA H 4.135 0.000 . 9 3 3 VAL HB H 1.817 0.000 . 10 3 3 VAL HG1 H 0.656 0.000 . 11 3 3 VAL HG2 H 0.656 0.000 . 12 4 4 GLY H H 7.879 0.000 . 13 4 4 GLY HA2 H 3.557 0.000 . 14 4 4 GLY HA3 H 3.807 0.000 . 15 5 5 LYS H H 7.193 0.000 . 16 5 5 LYS HA H 4.102 0.000 . 17 5 5 LYS HB2 H 1.454 0.000 . 18 5 5 LYS HB3 H 1.564 0.000 . 19 5 5 LYS HG2 H 1.124 0.000 . 20 5 5 LYS HG3 H 1.215 0.000 . 21 5 5 LYS HD2 H 1.406 0.000 . 22 5 5 LYS HD3 H 1.406 0.000 . 23 5 5 LYS HE2 H 2.719 0.000 . 24 5 5 LYS HE3 H 2.719 0.000 . 25 5 5 LYS HZ H 7.345 0.000 . 26 6 6 ILE H H 8.578 0.000 . 27 6 6 ILE HA H 3.993 0.000 . 28 6 6 ILE HB H 1.010 0.000 . 29 6 6 ILE HG12 H 0.749 0.000 . 30 6 6 ILE HG13 H 0.925 0.000 . 31 6 6 ILE HG2 H 0.655 0.000 . 32 6 6 ILE HD1 H 0.408 0.000 . 33 7 7 ILE H H 8.221 0.000 . 34 7 7 ILE HA H 3.695 0.000 . 35 7 7 ILE HB H 1.397 0.000 . 36 7 7 ILE HG12 H 0.835 0.000 . 37 7 7 ILE HG13 H 1.322 0.000 . 38 7 7 ILE HG2 H 0.617 0.000 . 39 7 7 ILE HD1 H 0.332 0.000 . 40 8 8 GLU H H 7.662 0.000 . 41 8 8 GLU HA H 3.853 0.000 . 42 8 8 GLU HB2 H 1.548 0.000 . 43 8 8 GLU HB3 H 1.591 0.000 . 44 8 8 GLU HG2 H 0.987 0.000 . 45 8 8 GLU HG3 H 0.987 0.000 . 46 9 9 TYR H H 7.937 0.000 . 47 9 9 TYR HA H 4.085 0.000 . 48 9 9 TYR HB2 H 2.573 0.000 . 49 9 9 TYR HB3 H 2.628 0.000 . 50 9 9 TYR HD1 H 6.800 0.000 . 51 9 9 TYR HD2 H 6.800 0.000 . 52 9 9 TYR HE1 H 6.566 0.000 . 53 9 9 TYR HE2 H 6.566 0.000 . 54 10 10 PHE H H 7.308 0.000 . 55 10 10 PHE HA H 4.344 0.000 . 56 10 10 PHE HB2 H 2.746 0.000 . 57 10 10 PHE HB3 H 2.794 0.000 . 58 10 10 PHE HD1 H 6.871 0.000 . 59 10 10 PHE HD2 H 6.871 0.000 . 60 10 10 PHE HE1 H 6.788 0.000 . 61 10 10 PHE HE2 H 6.788 0.000 . 62 11 11 ILE H H 7.790 0.000 . 63 11 11 ILE HA H 3.898 0.000 . 64 11 11 ILE HB H 1.553 0.000 . 65 11 11 ILE HG12 H 0.832 0.000 . 66 11 11 ILE HG13 H 1.085 0.000 . 67 11 11 ILE HG2 H 0.627 0.000 . 68 11 11 ILE HD1 H 0.539 0.000 . 69 12 12 GLY H H 8.393 0.000 . 70 12 12 GLY HA2 H 3.626 0.000 . 71 12 12 GLY HA3 H 3.753 0.000 . 72 13 13 GLY H H 7.962 0.000 . 73 13 13 GLY HA2 H 3.643 0.000 . 74 13 13 GLY HA3 H 3.877 0.000 . 75 14 14 GLY H H 8.114 0.000 . 76 14 14 GLY HA2 H 3.644 0.000 . 77 14 14 GLY HA3 H 3.723 0.000 . 78 15 15 VAL H H 7.765 0.000 . 79 15 15 VAL HA H 4.155 0.000 . 80 15 15 VAL HB H 1.814 0.000 . 81 15 15 VAL HG1 H 0.640 0.000 . 82 15 15 VAL HG2 H 0.640 0.000 . 83 16 16 GLY H H 8.271 0.000 . 84 16 16 GLY HA2 H 3.699 0.000 . 85 16 16 GLY HA3 H 3.959 0.000 . 86 17 17 ARG H H 8.149 0.000 . 87 17 17 ARG HA H 5.174 0.000 . 88 17 17 ARG HB2 H 1.122 0.000 . 89 17 17 ARG HB3 H 1.172 0.000 . 90 17 17 ARG HG2 H 1.000 0.000 . 91 17 17 ARG HG3 H 1.332 0.000 . 92 17 17 ARG HD2 H 2.720 0.000 . 93 17 17 ARG HD3 H 2.720 0.000 . 94 17 17 ARG HE H 6.839 0.000 . 95 18 18 TYR H H 9.188 0.000 . 96 18 18 TYR HA H 4.619 0.000 . 97 18 18 TYR HB2 H 2.787 0.000 . 98 18 18 TYR HB3 H 2.787 0.000 . 99 18 18 TYR HD1 H 6.689 0.000 . 100 18 18 TYR HD2 H 6.689 0.000 . 101 18 18 TYR HE1 H 6.555 0.000 . 102 18 18 TYR HE2 H 6.555 0.000 . 103 19 19 GLY H H 8.311 0.000 . 104 19 19 GLY HA2 H 3.482 0.000 . 105 19 19 GLY HA3 H 3.548 0.000 . stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details . _Experiment_label '2D 1H-1H NOESY' _Number_of_spectral_dimensions 1 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 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 30530 >> _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 1 >> _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 >> 1 2.721 9.190 1 U 63.510 0 e 0 0 0 >> 2 1.328 9.190 1 U 10.650 0 e 0 0 0 >> 3 1.169 9.190 1 U 385.590 0 e 0 0 0 >> 4 1.123 9.190 1 U 518.680 0 e 0 0 0 >> 5 0.925 9.190 1 U 72.640 0 e 0 0 0 >> 6 0.662 9.190 1 U 20.260 0 e 0 0 0 >> 7 0.629 9.190 1 U 19.890 0 e 0 0 0 >> 8 9.123 9.189 1 U 331.100 0 e 0 0 0 >> 9 8.578 9.189 1 U 331.950 0 e 0 0 0 >> 10 6.694 9.189 1 U 241.150 0 e 0 0 0 >> 11 5.173 9.189 1 U 539.690 0 e 0 0 0 >> 12 2.787 9.189 1 U 139.320 0 e 0 0 0 >> 13 1.005 9.189 1 U 63.800 0 e 0 0 0 >> 14 0.969 9.189 1 U 19.010 0 e 0 0 0 >> 15 0.749 9.189 1 U 7.670 0 e 0 0 0 >> 16 9.071 9.188 1 U 31.060 0 e 0 0 0 >> 17 9.026 9.188 1 U 4.070 0 e 0 0 0 >> 18 8.146 9.188 1 U 2.430 0 e 0 0 0 >> 19 4.619 9.188 1 U 136.290 0 e 0 0 0 >> 20 3.809 9.188 1 U 35.350 0 e 0 0 0 >> 21 1.561 9.188 1 U 36.010 0 e 0 0 0 >> 22 8.309 9.187 1 U 8.980 0 e 0 0 0 >> 23 7.879 9.187 1 U 45.930 0 e 0 0 0 >> 24 7.665 9.187 1 U 18.900 0 e 0 0 0 >> 25 7.191 9.187 1 U 20.070 0 e 0 0 0 >> 26 6.554 9.187 1 U 10.440 0 e 0 0 0 >> 27 3.696 9.187 1 U 36.190 0 e 0 0 0 >> 28 3.553 9.187 1 U 6.930 0 e 0 0 0 >> 29 1.588 9.187 1 U 74.480 0 e 0 0 0 >> 30 3.998 8.590 1 U 112.600 0 e 0 0 0 >> 31 8.225 8.580 1 U 46.230 0 e 0 0 0 >> 32 7.191 8.580 1 U 514.280 0 e 0 0 0 >> 33 8.514 8.579 1 U 588.270 0 e 0 0 0 >> 34 4.101 8.579 1 U 74.110 0 e 0 0 0 >> 35 3.553 8.579 1 U 36.430 0 e 0 0 0 >> 36 2.719 8.579 1 U 31.780 0 e 0 0 0 >> 37 1.564 8.579 1 U 76.640 0 e 0 0 0 >> 38 1.201 8.579 1 U 13.060 0 e 0 0 0 >> 39 1.176 8.579 1 U 26.250 0 e 0 0 0 >> 40 0.925 8.579 1 U 383.570 0 e 0 0 0 >> 41 0.749 8.579 1 U 78.310 0 e 0 0 0 >> 42 3.809 8.578 1 U 40.690 0 e 0 0 0 >> 43 1.442 8.578 1 U 92.490 0 e 0 0 0 >> 44 1.403 8.578 1 U 70.260 0 e 0 0 0 >> 45 1.011 8.578 1 U 249.290 0 e 0 0 0 >> 46 0.655 8.578 1 U 190.330 0 e 0 0 0 >> 47 0.408 8.578 1 U 54.020 0 e 0 0 0 >> 48 8.461 8.577 1 U 27.130 0 e 0 0 0 >> 49 8.407 8.577 1 U 47.700 0 e 0 0 0 >> 50 8.314 8.577 1 U 6.880 0 e 0 0 0 >> 51 3.993 8.577 1 U 90.440 0 e 0 0 0 >> 52 1.124 8.577 1 U 139.510 0 e 0 0 0 >> 53 8.380 8.576 1 U 44.830 0 e 0 0 0 >> 54 3.992 8.560 1 U 16.120 0 e 0 0 0 >> 55 3.900 8.397 1 U 612.770 0 e 0 0 0 >> 56 7.959 8.396 1 U 226.130 0 e 0 0 0 >> 57 7.783 8.396 1 U 95.540 0 e 0 0 0 >> 58 0.611 8.395 1 U 221.330 0 e 0 0 0 >> 59 3.753 8.394 1 U 663.130 0 e 0 0 0 >> 60 1.088 8.394 1 U 8.610 0 e 0 0 0 >> 61 0.539 8.393 1 U 18.630 0 e 0 0 0 >> 62 3.626 8.392 1 U 757.300 0 e 0 0 0 >> 63 1.561 8.390 1 U 103.410 0 e 0 0 0 >> 64 2.759 8.385 1 U 16.820 0 e 0 0 0 >> 65 4.206 8.381 1 U 225.860 0 e 0 0 0 >> 66 2.789 8.381 1 U 65.090 0 e 0 0 0 >> 67 2.788 8.381 1 U 65.090 0 e 0 0 0 >> 68 3.792 8.380 1 U 418.670 0 e 0 0 0 >> 69 3.644 8.380 1 U 888.870 0 e 0 0 0 >> 70 8.146 8.379 1 U 535.510 0 e 0 0 0 >> 71 7.695 8.379 1 U 237.510 0 e 0 0 0 >> 72 4.143 8.379 1 U 13.280 0 e 0 0 0 >> 73 3.957 8.379 1 U 56.010 0 e 0 0 0 >> 74 0.648 8.379 1 U 172.760 0 e 0 0 0 >> 75 4.620 8.378 1 U 10.680 0 e 0 0 0 >> 76 1.586 8.378 1 U 76.770 0 e 0 0 0 >> 77 7.958 8.365 1 U 19.610 0 e 0 0 0 >> 78 3.548 8.311 1 U 594.260 0 e 0 0 0 >> 79 3.482 8.311 1 U 376.150 0 e 0 0 0 >> 80 4.154 8.310 1 U 22.900 0 e 0 0 0 >> 81 3.810 8.310 1 U 21.070 0 e 0 0 0 >> 82 2.791 8.310 1 U 586.940 0 e 0 0 0 >> 83 4.619 8.309 1 U 422.780 0 e 0 0 0 >> 84 6.694 8.308 1 U 100.720 0 e 0 0 0 >> 85 2.745 8.308 1 U 26.500 0 e 0 0 0 >> 86 7.956 8.307 1 U 0.780 0 e 0 0 0 >> 87 3.694 8.307 1 U 20.980 0 e 0 0 0 >> 88 3.648 8.307 1 U 47.150 0 e 0 0 0 >> 89 0.648 8.307 1 U 69.900 0 e 0 0 0 >> 90 3.644 8.275 1 U 131.980 0 e 0 0 0 >> 91 7.765 8.272 1 U 159.770 0 e 0 0 0 >> 92 3.959 8.272 1 U 498.720 0 e 0 0 0 >> 93 7.668 8.271 1 U 77.040 0 e 0 0 0 >> 94 4.082 8.271 1 U 9.990 0 e 0 0 0 >> 95 3.699 8.271 1 U 579.880 0 e 0 0 0 >> 96 2.791 8.271 1 U 27.400 0 e 0 0 0 >> 97 1.554 8.271 1 U 15.330 0 e 0 0 0 >> 98 0.986 8.271 1 U 8.960 0 e 0 0 0 >> 99 4.155 8.270 1 U 950.700 0 e 0 0 0 >> 100 1.815 8.270 1 U 148.270 0 e 0 0 0 >> 101 1.583 8.270 1 U 32.050 0 e 0 0 0 >> 102 0.640 8.270 1 U 419.380 0 e 0 0 0 >> 103 7.958 8.269 1 U 19.120 0 e 0 0 0 >> 104 0.332 8.267 1 U 14.380 0 e 0 0 0 >> 105 1.326 8.264 1 U 5.100 0 e 0 0 0 >> 106 1.399 8.261 1 U 5.190 0 e 0 0 0 >> 107 4.135 8.233 1 U 405.540 0 e 0 0 0 >> 108 2.788 8.232 1 U 4.870 0 e 0 0 0 >> 109 3.566 8.230 1 U 10.190 0 e 0 0 0 >> 110 3.648 8.229 1 U 1165.960 0 e 0 0 0 >> 111 4.618 8.228 1 U 2.360 0 e 0 0 0 >> 112 4.205 8.228 1 U 447.510 0 e 0 0 0 >> 113 1.817 8.228 1 U 276.050 0 e 0 0 0 >> 114 1.141 8.228 1 U 11.380 0 e 0 0 0 >> 115 7.877 8.227 1 U 70.850 0 e 0 0 0 >> 116 3.803 8.227 1 U 1.330 0 e 0 0 0 >> 117 0.656 8.227 1 U 852.730 0 e 0 0 0 >> 118 8.012 8.224 1 U 12.680 0 e 0 0 0 >> 119 3.549 8.224 1 U 9.110 0 e 0 0 0 >> 120 8.061 8.223 1 U 70.790 0 e 0 0 0 >> 121 7.962 8.222 1 U 59.210 0 e 0 0 0 >> 122 2.719 8.222 1 U 28.000 0 e 0 0 0 >> 123 7.668 8.221 1 U 38.630 0 e 0 0 0 >> 124 7.401 8.221 1 U 13.560 0 e 0 0 0 >> 125 6.555 8.221 1 U 3.830 0 e 0 0 0 >> 126 3.996 8.221 1 U 995.420 0 e 0 0 0 >> 127 3.695 8.221 1 U 1020.590 0 e 0 0 0 >> 128 1.397 8.221 1 U 613.120 0 e 0 0 0 >> 129 1.322 8.221 1 U 385.150 0 e 0 0 0 >> 130 1.127 8.221 1 U 11.950 0 e 0 0 0 >> 131 0.748 8.220 1 U 323.810 0 e 0 0 0 >> 132 0.406 8.220 1 U 26.980 0 e 0 0 0 >> 133 0.332 8.220 1 U 147.780 0 e 0 0 0 >> 134 1.005 8.219 1 U 59.400 0 e 0 0 0 >> 135 0.925 8.219 1 U 98.270 0 e 0 0 0 >> 136 0.835 8.219 1 U 179.720 0 e 0 0 0 >> 137 0.617 8.218 1 U 419.280 0 e 0 0 0 >> 138 6.555 8.217 1 U 3.830 0 e 0 0 0 >> 139 1.438 8.216 1 U 54.000 0 e 0 0 0 >> 140 5.174 8.153 1 U 89.530 0 e 0 0 0 >> 141 1.122 8.150 1 U 209.260 0 e 0 0 0 >> 142 3.956 8.149 1 U 477.010 0 e 0 0 0 >> 143 1.331 8.149 1 U 91.510 0 e 0 0 0 >> 144 1.172 8.149 1 U 321.810 0 e 0 0 0 >> 145 3.699 8.148 1 U 1374.460 0 e 0 0 0 >> 146 1.588 8.148 1 U 49.670 0 e 0 0 0 >> 147 1.000 8.148 1 U 63.970 0 e 0 0 0 >> 148 4.201 8.147 1 U 13.740 0 e 0 0 0 >> 149 3.802 8.147 1 U 14.670 0 e 0 0 0 >> 150 2.720 8.147 1 U 31.930 0 e 0 0 0 >> 151 7.692 8.146 1 U 120.040 0 e 0 0 0 >> 152 4.139 8.146 1 U 72.280 0 e 0 0 0 >> 153 0.644 8.145 1 U 142.180 0 e 0 0 0 >> 154 7.885 8.142 1 U 66.630 0 e 0 0 0 >> 155 1.563 8.142 1 U 19.690 0 e 0 0 0 >> 156 4.146 8.125 1 U 12.440 0 e 0 0 0 >> 157 7.679 8.116 1 U 24.620 0 e 0 0 0 >> 158 0.333 8.116 1 U 5.090 0 e 0 0 0 >> 159 0.638 8.115 1 U 141.850 0 e 0 0 0 >> 160 4.086 8.114 1 U 10.790 0 e 0 0 0 >> 161 3.881 8.114 1 U 210.660 0 e 0 0 0 >> 162 3.723 8.114 1 U 892.720 0 e 0 0 0 >> 163 3.644 8.114 1 U 866.850 0 e 0 0 0 >> 164 7.957 8.113 1 U 648.010 0 e 0 0 0 >> 165 6.798 8.113 1 U 1.400 0 e 0 0 0 >> 166 7.766 8.112 1 U 342.940 0 e 0 0 0 >> 167 3.643 7.963 1 U 756.700 0 e 0 0 0 >> 168 3.877 7.962 1 U 719.330 0 e 0 0 0 >> 169 3.753 7.962 1 U 224.760 0 e 0 0 0 >> 170 1.559 7.959 1 U 21.820 0 e 0 0 0 >> 171 0.631 7.959 1 U 78.720 0 e 0 0 0 >> 172 6.796 7.955 1 U 109.380 0 e 0 0 0 >> 173 7.794 7.954 1 U 350.130 0 e 0 0 0 >> 174 7.308 7.951 1 U 53.360 0 e 0 0 0 >> 175 2.628 7.938 1 U 226.460 0 e 0 0 0 >> 176 7.305 7.937 1 U 98.890 0 e 0 0 0 >> 177 6.802 7.937 1 U 220.030 0 e 0 0 0 >> 178 6.694 7.937 1 U 0.590 0 e 0 0 0 >> 179 6.558 7.937 1 U 46.660 0 e 0 0 0 >> 180 3.854 7.937 1 U 906.050 0 e 0 0 0 >> 181 2.573 7.937 1 U 315.050 0 e 0 0 0 >> 182 1.575 7.937 1 U 137.270 0 e 0 0 0 >> 183 0.981 7.937 1 U 50.790 0 e 0 0 0 >> 184 0.628 7.937 1 U 74.250 0 e 0 0 0 >> 185 0.332 7.937 1 U 70.740 0 e 0 0 0 >> 186 7.667 7.936 1 U 183.220 0 e 0 0 0 >> 187 4.085 7.936 1 U 236.900 0 e 0 0 0 >> 188 7.343 7.880 1 U 56.160 0 e 0 0 0 >> 189 7.194 7.880 1 U 12.090 0 e 0 0 0 >> 190 4.134 7.880 1 U 861.950 0 e 0 0 0 >> 191 3.557 7.880 1 U 256.660 0 e 0 0 0 >> 192 3.807 7.879 1 U 200.180 0 e 0 0 0 >> 193 3.641 7.879 1 U 2.280 0 e 0 0 0 >> 194 2.720 7.879 1 U 55.320 0 e 0 0 0 >> 195 1.817 7.879 1 U 204.550 0 e 0 0 0 >> 196 1.124 7.879 1 U 301.830 0 e 0 0 0 >> 197 0.660 7.879 1 U 350.890 0 e 0 0 0 >> 198 1.164 7.878 1 U 312.440 0 e 0 0 0 >> 199 1.331 7.876 1 U 2.320 0 e 0 0 0 >> 200 7.340 7.865 1 U 8.510 0 e 0 0 0 >> 201 1.085 7.793 1 U 76.360 0 e 0 0 0 >> 202 4.344 7.792 1 U 236.680 0 e 0 0 0 >> 203 1.553 7.792 1 U 365.450 0 e 0 0 0 >> 204 0.832 7.792 1 U 64.230 0 e 0 0 0 >> 205 7.307 7.791 1 U 113.470 0 e 0 0 0 >> 206 2.793 7.791 1 U 84.400 0 e 0 0 0 >> 207 2.756 7.791 1 U 58.140 0 e 0 0 0 >> 208 0.627 7.791 1 U 359.330 0 e 0 0 0 >> 209 3.898 7.790 1 U 147.380 0 e 0 0 0 >> 210 6.792 7.789 1 U 30.930 0 e 0 0 0 >> 211 0.539 7.788 1 U 18.980 0 e 0 0 0 >> 212 6.794 7.768 1 U 36.010 0 e 0 0 0 >> 213 1.814 7.765 1 U 190.850 0 e 0 0 0 >> 214 0.640 7.765 1 U 618.960 0 e 0 0 0 >> 215 0.332 7.764 1 U 4.770 0 e 0 0 0 >> 216 3.720 7.763 1 U 476.220 0 e 0 0 0 >> 217 3.641 7.763 1 U 557.880 0 e 0 0 0 >> 218 4.155 7.759 1 U 163.200 0 e 0 0 0 >> 219 3.697 7.697 1 U 962.310 0 e 0 0 0 >> 220 6.873 7.696 1 U 3.070 0 e 0 0 0 >> 221 3.800 7.696 1 U 399.850 0 e 0 0 0 >> 222 3.738 7.696 1 U 626.480 0 e 0 0 0 >> 223 6.793 7.694 1 U 15.380 0 e 0 0 0 >> 224 2.785 7.694 1 U 43.110 0 e 0 0 0 >> 225 3.855 7.693 1 U 53.580 0 e 0 0 0 >> 226 1.585 7.693 1 U 720.870 0 e 0 0 0 >> 227 1.547 7.693 1 U 562.620 0 e 0 0 0 >> 228 0.981 7.693 1 U 142.320 0 e 0 0 0 >> 229 0.633 7.692 1 U 72.800 0 e 0 0 0 >> 230 6.695 7.689 1 U 2.740 0 e 0 0 0 >> 231 5.173 7.683 1 U 75.860 0 e 0 0 0 >> 232 6.798 7.664 1 U 1.980 0 e 0 0 0 >> 233 6.554 7.664 1 U 0.770 0 e 0 0 0 >> 234 3.631 7.664 1 U 22.670 0 e 0 0 0 >> 235 0.987 7.664 1 U 242.750 0 e 0 0 0 >> 236 0.624 7.664 1 U 107.050 0 e 0 0 0 >> 237 6.695 7.663 1 U 22.770 0 e 0 0 0 >> 238 3.853 7.662 1 U 173.050 0 e 0 0 0 >> 239 3.797 7.662 1 U 74.080 0 e 0 0 0 >> 240 2.721 7.662 1 U 22.100 0 e 0 0 0 >> 241 1.548 7.662 1 U 771.120 0 e 0 0 0 >> 242 5.173 7.661 1 U 321.970 0 e 0 0 0 >> 243 3.697 7.661 1 U 1330.310 0 e 0 0 0 >> 244 1.591 7.661 1 U 950.480 0 e 0 0 0 >> 245 1.326 7.661 1 U 58.130 0 e 0 0 0 >> 246 0.834 7.661 1 U 17.870 0 e 0 0 0 >> 247 7.599 7.660 1 U 2092.090 0 e 0 0 0 >> 248 1.397 7.660 1 U 41.770 0 e 0 0 0 >> 249 0.332 7.660 1 U 235.120 0 e 0 0 0 >> 250 1.124 7.659 1 U 4.990 0 e 0 0 0 >> 251 2.719 7.347 1 U 277.620 0 e 0 0 0 >> 252 4.698 7.345 1 U 152.140 0 e 0 0 0 >> 253 7.195 7.343 1 U 991.290 0 e 0 0 0 >> 254 1.406 7.342 1 U 40.330 0 e 0 0 0 >> 255 6.874 7.341 1 U 11.040 0 e 0 0 0 >> 256 6.795 7.341 1 U 12.790 0 e 0 0 0 >> 257 4.344 7.309 1 U 112.370 0 e 0 0 0 >> 258 2.631 7.307 1 U 47.570 0 e 0 0 0 >> 259 6.873 7.306 1 U 92.620 0 e 0 0 0 >> 260 2.794 7.306 1 U 229.750 0 e 0 0 0 >> 261 2.746 7.306 1 U 211.690 0 e 0 0 0 >> 262 0.629 7.306 1 U 6.880 0 e 0 0 0 >> 263 6.790 7.305 1 U 246.830 0 e 0 0 0 >> 264 4.085 7.305 1 U 361.690 0 e 0 0 0 >> 265 2.575 7.305 1 U 24.250 0 e 0 0 0 >> 266 4.102 7.193 1 U 185.610 0 e 0 0 0 >> 267 1.215 7.193 1 U 132.220 0 e 0 0 0 >> 268 1.124 7.193 1 U 174.310 0 e 0 0 0 >> 269 2.717 7.192 1 U 34.870 0 e 0 0 0 >> 270 1.564 7.192 1 U 127.300 0 e 0 0 0 >> 271 0.927 7.192 1 U 0.750 0 e 0 0 0 >> 272 3.808 7.191 1 U 518.890 0 e 0 0 0 >> 273 3.556 7.191 1 U 365.060 0 e 0 0 0 >> 274 1.454 7.191 1 U 321.820 0 e 0 0 0 >> 275 1.402 7.191 1 U 193.160 0 e 0 0 0 >> 276 1.010 7.191 1 U 14.170 0 e 0 0 0 >> 277 0.654 7.190 1 U 38.680 0 e 0 0 0 >> 278 3.863 6.876 1 U 5.580 0 e 0 0 0 >> 279 0.540 6.875 1 U 60.160 0 e 0 0 0 >> 280 3.744 6.874 1 U 52.580 0 e 0 0 0 >> 281 3.705 6.874 1 U 54.800 0 e 0 0 0 >> 282 1.561 6.874 1 U 51.290 0 e 0 0 0 >> 283 1.589 6.873 1 U 58.370 0 e 0 0 0 >> 284 4.342 6.872 1 U 31.080 0 e 0 0 0 >> 285 0.626 6.872 1 U 140.070 0 e 0 0 0 >> 286 6.788 6.871 1 U 7445.810 0 e 0 0 0 >> 287 2.790 6.870 1 U 124.680 0 e 0 0 0 >> 288 2.724 6.870 1 U 228.090 0 e 0 0 0 >> 289 0.833 6.870 1 U 6.540 0 e 0 0 0 >> 290 0.986 6.869 1 U 28.630 0 e 0 0 0 >> 291 0.832 6.844 1 U 2.030 0 e 0 0 0 >> 292 3.706 6.843 1 U 20.400 0 e 0 0 0 >> 293 1.149 6.842 1 U 14.880 0 e 0 0 0 >> 294 1.124 6.842 1 U 30.290 0 e 0 0 0 >> 295 0.617 6.842 1 U 100.060 0 e 0 0 0 >> 296 1.000 6.841 1 U 64.760 0 e 0 0 0 >> 297 1.332 6.840 1 U 105.560 0 e 0 0 0 >> 298 2.721 6.839 1 U 546.670 0 e 0 0 0 >> 299 0.333 6.833 1 U 1.990 0 e 0 0 0 >> 300 4.091 6.832 1 U 46.080 0 e 0 0 0 >> 301 4.341 6.811 1 U 76.470 0 e 0 0 0 >> 302 3.724 6.809 1 U 109.030 0 e 0 0 0 >> 303 2.629 6.805 1 U 532.530 0 e 0 0 0 >> 304 4.084 6.803 1 U 290.620 0 e 0 0 0 >> 305 2.573 6.803 1 U 657.830 0 e 0 0 0 >> 306 1.575 6.802 1 U 114.960 0 e 0 0 0 >> 307 6.566 6.800 1 U 1986.870 0 e 0 0 0 >> 308 1.396 6.800 1 U 9.350 0 e 0 0 0 >> 309 0.331 6.800 1 U 122.610 0 e 0 0 0 >> 310 4.700 6.799 1 U 2.290 0 e 0 0 0 >> 311 0.835 6.799 1 U 13.730 0 e 0 0 0 >> 312 0.750 6.799 1 U 23.840 0 e 0 0 0 >> 313 3.861 6.798 1 U 99.740 0 e 0 0 0 >> 314 1.398 6.793 1 U 4.460 0 e 0 0 0 >> 315 0.749 6.792 1 U 22.420 0 e 0 0 0 >> 316 0.629 6.792 1 U 472.420 0 e 0 0 0 >> 317 3.857 6.791 1 U 108.230 0 e 0 0 0 >> 318 1.595 6.791 1 U 120.840 0 e 0 0 0 >> 319 1.562 6.791 1 U 97.530 0 e 0 0 0 >> 320 3.722 6.789 1 U 192.580 0 e 0 0 0 >> 321 1.817 6.789 1 U 2.560 0 e 0 0 0 >> 322 3.643 6.788 1 U 99.990 0 e 0 0 0 >> 323 0.987 6.788 1 U 34.870 0 e 0 0 0 >> 324 1.089 6.787 1 U 44.150 0 e 0 0 0 >> 325 0.539 6.787 1 U 117.230 0 e 0 0 0 >> 326 4.343 6.786 1 U 229.400 0 e 0 0 0 >> 327 0.833 6.786 1 U 39.600 0 e 0 0 0 >> 328 4.155 6.785 1 U 12.310 0 e 0 0 0 >> 329 2.790 6.785 1 U 686.850 0 e 0 0 0 >> 330 2.753 6.785 1 U 660.640 0 e 0 0 0 >> 331 4.155 6.777 1 U 5.540 0 e 0 0 0 >> 332 3.687 6.701 1 U 2.390 0 e 0 0 0 >> 333 1.120 6.696 1 U 12.100 0 e 0 0 0 >> 334 3.703 6.695 1 U 4.060 0 e 0 0 0 >> 335 2.725 6.695 1 U 26.930 0 e 0 0 0 >> 336 1.556 6.695 1 U 305.480 0 e 0 0 0 >> 337 3.853 6.694 1 U 231.190 0 e 0 0 0 >> 338 3.481 6.694 1 U 41.010 0 e 0 0 0 >> 339 2.788 6.694 1 U 747.450 0 e 0 0 0 >> 340 1.589 6.694 1 U 483.680 0 e 0 0 0 >> 341 0.989 6.694 1 U 106.930 0 e 0 0 0 >> 342 5.174 6.693 1 U 40.520 0 e 0 0 0 >> 343 4.621 6.693 1 U 71.400 0 e 0 0 0 >> 344 0.928 6.693 1 U 81.740 0 e 0 0 0 >> 345 0.653 6.693 1 U 52.450 0 e 0 0 0 >> 346 0.617 6.693 1 U 52.110 0 e 0 0 0 >> 347 0.748 6.692 1 U 112.190 0 e 0 0 0 >> 348 0.407 6.692 1 U 52.580 0 e 0 0 0 >> 349 3.548 6.691 1 U 55.210 0 e 0 0 0 >> 350 6.555 6.689 1 U 2946.370 0 e 0 0 0 >> 351 0.990 6.570 1 U 53.680 0 e 0 0 0 >> 352 0.631 6.569 1 U 226.350 0 e 0 0 0 >> 353 4.090 6.567 1 U 23.060 0 e 0 0 0 >> 354 1.109 6.567 1 U 2.380 0 e 0 0 0 >> 355 2.729 6.565 1 U 14.620 0 e 0 0 0 >> 356 0.750 6.565 1 U 346.680 0 e 0 0 0 >> 357 0.537 6.565 1 U 20.450 0 e 0 0 0 >> 358 4.702 6.564 1 U 29.460 0 e 0 0 0 >> 359 1.397 6.564 1 U 46.000 0 e 0 0 0 >> 360 1.561 6.563 1 U 100.700 0 e 0 0 0 >> 361 0.332 6.563 1 U 113.650 0 e 0 0 0 >> 362 3.638 6.560 1 U 2.360 0 e 0 0 0 >> 363 2.625 6.560 1 U 22.650 0 e 0 0 0 >> 364 3.547 6.559 1 U 11.900 0 e 0 0 0 >> 365 2.789 6.559 1 U 148.020 0 e 0 0 0 >> 366 2.576 6.559 1 U 23.400 0 e 0 0 0 >> 367 3.721 6.558 1 U 22.210 0 e 0 0 0 >> 368 1.597 6.558 1 U 96.980 0 e 0 0 0 >> 369 0.831 6.558 1 U 8.770 0 e 0 0 0 >> 370 4.629 6.557 1 U 13.510 0 e 0 0 0 >> 371 0.653 6.557 1 U 168.880 0 e 0 0 0 >> 372 1.008 6.556 1 U 33.140 0 e 0 0 0 >> 373 0.610 6.556 1 U 197.170 0 e 0 0 0 >> 374 0.407 6.556 1 U 146.960 0 e 0 0 0 >> 375 3.854 6.555 1 U 198.150 0 e 0 0 0 >> 376 3.697 6.554 1 U 22.640 0 e 0 0 0 >> 377 0.928 6.553 1 U 93.640 0 e 0 0 0 >> 378 0.738 6.550 1 U 371.130 0 e 0 0 0 >> 379 2.719 5.178 1 U 61.220 0 e 0 0 0 >> 380 1.164 5.177 1 U 111.810 0 e 0 0 0 >> 381 1.128 5.177 1 U 239.490 0 e 0 0 0 >> 382 1.001 5.176 1 U 113.240 0 e 0 0 0 >> 383 1.593 5.175 1 U 160.090 0 e 0 0 0 >> 384 1.334 5.175 1 U 33.790 0 e 0 0 0 >> 385 3.697 5.174 1 U 178.790 0 e 0 0 0 >> 386 2.794 4.344 1 U 212.630 0 e 0 0 0 >> 387 2.754 4.344 1 U 176.030 0 e 0 0 0 >> 388 0.622 4.341 1 U 2.290 0 e 0 0 0 >> 389 0.654 4.214 1 U 114.380 0 e 0 0 0 >> 390 3.648 4.210 1 U 1441.880 0 e 0 0 0 >> 391 3.726 4.202 1 U 78.970 0 e 0 0 0 >> 392 0.646 4.157 1 U 944.010 0 e 0 0 0 >> 393 1.812 4.156 1 U 278.280 0 e 0 0 0 >> 394 3.986 4.152 1 U 58.060 0 e 0 0 0 >> 395 3.706 4.152 1 U 102.190 0 e 0 0 0 >> 396 3.963 4.151 1 U 43.260 0 e 0 0 0 >> 397 3.655 4.150 1 U 218.150 0 e 0 0 0 >> 398 1.816 4.137 1 U 425.500 0 e 0 0 0 >> 399 0.657 4.135 1 U 920.070 0 e 0 0 0 >> 400 1.123 4.133 1 U 136.990 0 e 0 0 0 >> 401 1.156 4.132 1 U 154.800 0 e 0 0 0 >> 402 2.721 4.131 1 U 16.700 0 e 0 0 0 >> 403 1.458 4.103 1 U 241.220 0 e 0 0 0 >> 404 1.562 4.102 1 U 293.370 0 e 0 0 0 >> 405 1.124 4.102 1 U 213.610 0 e 0 0 0 >> 406 1.404 4.101 1 U 295.040 0 e 0 0 0 >> 407 1.214 4.101 1 U 90.110 0 e 0 0 0 >> 408 2.720 4.099 1 U 117.270 0 e 0 0 0 >> 409 1.815 4.095 1 U 9.930 0 e 0 0 0 >> 410 3.839 4.091 1 U 29.960 0 e 0 0 0 >> 411 3.872 4.090 1 U 23.760 0 e 0 0 0 >> 412 3.725 4.086 1 U 59.010 0 e 0 0 0 >> 413 2.634 4.086 1 U 387.710 0 e 0 0 0 >> 414 2.571 4.086 1 U 305.370 0 e 0 0 0 >> 415 3.647 4.085 1 U 89.590 0 e 0 0 0 >> 416 0.642 4.085 1 U 318.330 0 e 0 0 0 >> 417 0.332 4.084 1 U 55.380 0 e 0 0 0 >> 418 0.748 3.996 1 U 342.400 0 e 0 0 0 >> 419 0.407 3.996 1 U 83.220 0 e 0 0 0 >> 420 1.010 3.995 1 U 93.110 0 e 0 0 0 >> 421 1.399 3.993 1 U 52.550 0 e 0 0 0 >> 422 0.650 3.993 1 U 307.330 0 e 0 0 0 >> 423 0.332 3.993 1 U 4.850 0 e 0 0 0 >> 424 1.325 3.990 1 U 26.430 0 e 0 0 0 >> 425 0.925 3.978 1 U 60.570 0 e 0 0 0 >> 426 3.700 3.966 1 U 1217.050 0 e 0 0 0 >> 427 3.698 3.952 1 U 1618.720 0 e 0 0 0 >> 428 0.638 3.947 1 U 119.170 0 e 0 0 0 >> 429 1.085 3.901 1 U 84.620 0 e 0 0 0 >> 430 1.554 3.900 1 U 289.480 0 e 0 0 0 >> 431 0.539 3.900 1 U 154.830 0 e 0 0 0 >> 432 0.831 3.899 1 U 117.520 0 e 0 0 0 >> 433 0.610 3.899 1 U 523.910 0 e 0 0 0 >> 434 3.654 3.890 1 U 985.930 0 e 0 0 0 >> 435 3.652 3.869 1 U 1603.410 0 e 0 0 0 >> 436 0.622 3.859 1 U 209.350 0 e 0 0 0 >> 437 1.543 3.852 1 U 335.330 0 e 0 0 0 >> 438 0.332 3.852 1 U 20.120 0 e 0 0 0 >> 439 1.597 3.851 1 U 440.260 0 e 0 0 0 >> 440 0.980 3.851 1 U 310.760 0 e 0 0 0 >> 441 1.119 3.823 1 U 15.070 0 e 0 0 0 >> 442 3.560 3.817 1 U 1146.680 0 e 0 0 0 >> 443 0.648 3.815 1 U 141.290 0 e 0 0 0 >> 444 0.992 3.799 1 U 12.900 0 e 0 0 0 >> 445 3.556 3.797 1 U 1571.400 0 e 0 0 0 >> 446 1.571 3.795 1 U 131.770 0 e 0 0 0 >> 447 1.119 3.795 1 U 31.050 0 e 0 0 0 >> 448 1.143 3.794 1 U 10.770 0 e 0 0 0 >> 449 0.638 3.791 1 U 231.240 0 e 0 0 0 >> 450 0.540 3.791 1 U 35.320 0 e 0 0 0 >> 451 2.786 3.790 1 U 13.530 0 e 0 0 0 >> 452 1.560 3.745 1 U 109.480 0 e 0 0 0 >> 453 0.539 3.745 1 U 79.270 0 e 0 0 0 >> 454 3.624 3.744 1 U 6132.500 0 e 0 0 0 >> 455 0.987 3.744 1 U 24.440 0 e 0 0 0 >> 456 0.629 3.743 1 U 416.990 0 e 0 0 0 >> 457 2.787 3.740 1 U 8.900 0 e 0 0 0 >> 458 0.329 3.729 1 U 157.780 0 e 0 0 0 >> 459 0.332 3.699 1 U 438.150 0 e 0 0 0 >> 460 1.584 3.698 1 U 260.200 0 e 0 0 0 >> 461 2.720 3.697 1 U 253.770 0 e 0 0 0 >> 462 1.155 3.697 1 U 63.560 0 e 0 0 0 >> 463 1.122 3.697 1 U 86.060 0 e 0 0 0 >> 464 0.836 3.697 1 U 191.960 0 e 0 0 0 >> 465 0.748 3.697 1 U 25.440 0 e 0 0 0 >> 466 1.396 3.696 1 U 259.640 0 e 0 0 0 >> 467 1.326 3.696 1 U 317.560 0 e 0 0 0 >> 468 1.001 3.696 1 U 479.860 0 e 0 0 0 >> 469 0.620 3.696 1 U 595.180 0 e 0 0 0 >> 470 0.643 3.656 1 U 481.740 0 e 0 0 0 >> 471 2.786 3.651 1 U 1.370 0 e 0 0 0 >> 472 0.332 3.649 1 U 190.870 0 e 0 0 0 >> 473 0.996 3.645 1 U 16.000 0 e 0 0 0 >> 474 2.729 3.644 1 U 5.390 0 e 0 0 0 >> 475 1.815 3.641 1 U 33.470 0 e 0 0 0 >> 476 1.556 3.641 1 U 57.320 0 e 0 0 0 >> 477 2.787 3.640 1 U 10.150 0 e 0 0 0 >> 478 0.639 3.634 1 U 579.400 0 e 0 0 0 >> 479 1.121 3.568 1 U 15.570 0 e 0 0 0 >> 480 0.656 3.567 1 U 104.000 0 e 0 0 0 >> 481 1.425 3.540 1 U 11.080 0 e 0 0 0 >> 482 1.121 3.540 1 U 15.970 0 e 0 0 0 >> 483 1.008 3.540 1 U 13.150 0 e 0 0 0 >> 484 0.655 3.540 1 U 143.050 0 e 0 0 0 >> 485 0.407 3.540 1 U 82.630 0 e 0 0 0 >> 486 2.788 3.539 1 U 43.460 0 e 0 0 0 >> 487 0.652 3.492 1 U 46.710 0 e 0 0 0 >> 488 0.407 3.491 1 U 75.650 0 e 0 0 0 >> 489 2.789 3.490 1 U 24.280 0 e 0 0 0 >> 490 0.409 3.470 1 U 31.560 0 e 0 0 0 >> 491 1.297 3.404 1 U 65.050 0 e 0 0 0 >> 492 0.924 3.401 1 U 225.750 0 e 0 0 0 >> 493 1.156 3.386 1 U 28.980 0 e 0 0 0 >> 494 0.749 2.789 1 U 7.080 0 e 0 0 0 >> 495 0.636 2.789 1 U 148.030 0 e 0 0 0 >> 496 0.539 2.789 1 U 1.340 0 e 0 0 0 >> 497 1.589 2.788 1 U 395.360 0 e 0 0 0 >> 498 0.992 2.788 1 U 63.650 0 e 0 0 0 >> 499 0.940 2.788 1 U 15.070 0 e 0 0 0 >> 500 1.579 2.757 1 U 117.280 0 e 0 0 0 >> 501 1.002 2.751 1 U 112.540 0 e 0 0 0 >> 502 0.629 2.750 1 U 74.000 0 e 0 0 0 >> 503 1.004 2.725 1 U 401.190 0 e 0 0 0 >> 504 1.332 2.723 1 U 564.600 0 e 0 0 0 >> 505 1.441 2.720 1 U 468.700 0 e 0 0 0 >> 506 1.216 2.718 1 U 207.780 0 e 0 0 0 >> 507 1.567 2.717 1 U 86.310 0 e 0 0 0 >> 508 1.123 2.717 1 U 779.950 0 e 0 0 0 >> 509 0.639 2.717 1 U 239.530 0 e 0 0 0 >> 510 0.834 2.716 1 U 20.930 0 e 0 0 0 >> 511 0.747 2.716 1 U 6.860 0 e 0 0 0 >> 512 0.334 2.716 1 U 23.580 0 e 0 0 0 >> 513 0.407 2.715 1 U 19.680 0 e 0 0 0 >> 514 1.397 2.713 1 U 532.300 0 e 0 0 0 >> 515 2.576 2.626 1 U 7518.450 0 e 0 0 0 >> 516 0.621 2.625 1 U 27.330 0 e 0 0 0 >> 517 0.331 2.625 1 U 15.430 0 e 0 0 0 >> 518 0.620 2.576 1 U 17.400 0 e 0 0 0 >> 519 0.331 2.575 1 U 10.960 0 e 0 0 0 >> 520 0.652 1.811 1 U 2549.420 0 e 0 0 0 >> 521 0.985 1.594 1 U 1524.360 0 e 0 0 0 >> 522 0.331 1.585 1 U 16.740 0 e 0 0 0 >> 523 0.540 1.579 1 U 127.690 0 e 0 0 0 >> 524 1.339 1.577 1 U 130.110 0 e 0 0 0 >> 525 0.630 1.574 1 U 407.090 0 e 0 0 0 >> 526 1.218 1.572 1 U 488.520 0 e 0 0 0 >> 527 0.839 1.572 1 U 154.240 0 e 0 0 0 >> 528 1.122 1.568 1 U 639.250 0 e 0 0 0 >> 529 0.923 1.567 1 U 100.160 0 e 0 0 0 >> 530 0.750 1.560 1 U 23.510 0 e 0 0 0 >> 531 0.651 1.555 1 U 252.400 0 e 0 0 0 >> 532 0.408 1.554 1 U 24.340 0 e 0 0 0 >> 533 1.328 1.552 1 U 139.350 0 e 0 0 0 >> 534 1.091 1.549 1 U 564.060 0 e 0 0 0 >> 535 0.541 1.548 1 U 274.920 0 e 0 0 0 >> 536 0.982 1.544 1 U 2167.820 0 e 0 0 0 >> 537 0.610 1.542 1 U 567.540 0 e 0 0 0 >> 538 0.841 1.540 1 U 119.870 0 e 0 0 0 >> 539 1.127 1.455 1 U 373.740 0 e 0 0 0 >> 540 1.223 1.453 1 U 46.730 0 e 0 0 0 >> 541 0.638 1.447 1 U 122.440 0 e 0 0 0 >> 542 0.407 1.447 1 U 4.930 0 e 0 0 0 >> 543 1.005 1.446 1 U 223.830 0 e 0 0 0 >> 544 1.132 1.404 1 U 406.950 0 e 0 0 0 >> 545 0.406 1.402 1 U 57.500 0 e 0 0 0 >> 546 0.651 1.401 1 U 67.590 0 e 0 0 0 >> 547 0.926 1.398 1 U 63.460 0 e 0 0 0 >> 548 0.750 1.398 1 U 48.370 0 e 0 0 0 >> 549 0.843 1.397 1 U 178.410 0 e 0 0 0 >> 550 0.613 1.396 1 U 461.850 0 e 0 0 0 >> 551 1.219 1.395 1 U 1090.590 0 e 0 0 0 >> 552 1.003 1.395 1 U 502.650 0 e 0 0 0 >> 553 0.333 1.393 1 U 581.270 0 e 0 0 0 >> 554 0.614 1.342 1 U 394.700 0 e 0 0 0 >> 555 1.004 1.335 1 U 1795.020 0 e 0 0 0 >> 556 0.754 1.327 1 U 14.690 0 e 0 0 0 >> 557 0.644 1.327 1 U 46.760 0 e 0 0 0 >> 558 1.159 1.325 1 U 766.600 0 e 0 0 0 >> 559 0.331 1.325 1 U 227.380 0 e 0 0 0 >> 560 0.837 1.320 1 U 1776.440 0 e 0 0 0 >> 561 0.611 1.302 1 U 141.980 0 e 0 0 0 >> 562 1.126 1.205 1 U 7349.140 0 e 0 0 0 >> 563 1.006 1.153 1 U 1365.810 0 e 0 0 0 >> 564 0.662 1.123 1 U 51.790 0 e 0 0 0 >> 565 0.409 1.121 1 U 27.690 0 e 0 0 0 >> 566 1.006 1.113 1 U 2612.010 0 e 0 0 0 >> 567 0.547 1.108 1 U 102.440 0 e 0 0 0 >> 568 0.608 1.086 1 U 27.160 0 e 0 0 0 >> 569 0.836 1.084 1 U 1452.900 0 e 0 0 0 >> 570 0.410 1.074 1 U 17.350 0 e 0 0 0 >> 571 0.538 1.051 1 U 68.980 0 e 0 0 0 >> 572 0.401 1.041 1 U 98.690 0 e 0 0 0 >> 573 0.424 1.038 1 U 82.840 0 e 0 0 0 >> 574 0.655 1.015 1 U 1889.730 0 e 0 0 0 >> 575 0.751 1.013 1 U 113.810 0 e 0 0 0 >> 576 0.332 0.997 1 U 23.740 0 e 0 0 0 >> 577 0.547 0.985 1 U 50.220 0 e 0 0 0 >> 578 0.407 0.976 1 U 33.270 0 e 0 0 0 >> 579 0.667 0.924 1 U 72.900 0 e 0 0 0 >> 580 0.567 0.922 1 U 4.000 0 e 0 0 0 >> 581 0.406 0.922 1 U 235.370 0 e 0 0 0 >> 582 0.241 0.922 1 U 18.900 0 e 0 0 0 >> 583 0.205 0.921 1 U 11.850 0 e 0 0 0 >> 584 0.750 0.915 1 U 1246.150 0 e 0 0 0 >> 585 0.546 0.863 1 U 159.640 0 e 0 0 0 >> 586 0.542 0.839 1 U 412.510 0 e 0 0 0 >> 587 0.471 0.834 1 U 0.960 0 e 0 0 0 >> 588 0.332 0.834 1 U 179.230 0 e 0 0 0 >> 589 0.612 0.829 1 U 634.760 0 e 0 0 0 >> 590 0.631 0.748 1 U 965.220 0 e 0 0 0 >> 591 0.406 0.748 1 U 674.750 0 e 0 0 0 >> 592 0.339 0.748 1 U 49.620 0 e 0 0 0 >> 593 0.308 0.748 1 U 35.990 0 e 0 0 0 >> 594 0.679 0.747 1 U 2687.730 0 e 0 0 0 >> 595 0.592 0.746 1 U 381.730 0 e 0 0 0 >> 596 0.536 0.746 1 U 118.780 0 e 0 0 0 >> 597 0.491 0.745 1 U 76.250 0 e 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 . . 11 ppm . . . 5 . . 30530 1 >> >> stop_ >> >>save_ >> ; save_