data_20111 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Conformational Flexibility of SecA IRA1 Loop Region ; _BMRB_accession_number 20111 _BMRB_flat_file_name bmr20111.str _Entry_type original _Submission_date 2009-12-10 _Accession_date 2009-12-10 _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 Palladino Pasquale . . 2 Saviano Gabriella . . 3 Tancredi Teodorico . . 4 Ragone Raffaele . . 5 Benedetti Ettore . . 6 Rossi Filomena . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 2 structure_coordinate_set 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 106 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-06-28 update BMRB 'coordinate file not annotated' 2011-06-02 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 20108 'SecA fragment' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural determinants of protein translocation in bacteria: conformational flexibility of SecA IRA1 loop region.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21337475 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Palladino Pasquale . . 2 Saviano Gabriella . . 3 Tancredi Teodorico . . 4 Benedetti Ettore . . 5 Rossi Filomena . . 6 Ragone Raffaele . . stop_ _Journal_abbreviation 'J. Pept. Sci.' _Journal_name_full 'Journal of peptide science : an official publication of the European Peptide Society' _Journal_volume 17 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 263 _Page_last 269 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SecA fragment' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SecA fragment' $SecA_788-804_Y794A stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SecA_788-804_Y794A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SecA[788-804]Y794A _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 17 _Mol_residue_sequence GIHLRGAAQKDPKQEYK loop_ _Residue_seq_code _Residue_label 1 GLY 2 ILE 3 HIS 4 LEU 5 ARG 6 GLY 7 ALA 8 ALA 9 GLN 10 LYS 11 ASP 12 PRO 13 LYS 14 GLN 15 GLU 16 TYR 17 LYS 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 _Details $SecA_788-804_Y794A . . . . . . 'syntethic peptide' 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 $SecA_788-804_Y794A 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SecA_788-804_Y794A 1 mM 'natural abundance' TFEd2-OH 50 '% v/v' '[U-100% 2H]' H2O 50 '% v/v' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _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_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_DRX-600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'equipped with a cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 300 . K pH 5.1 . pH stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details '4.7 ppm of H2O peak' loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water H 1 protons ppm 4.7 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '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 $chemical_shift_reference_1 _Mol_system_component_name 'SecA fragment' _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 8.015 0.000 1 2 1 1 GLY HA2 H 3.910 0.000 2 3 1 1 GLY HA3 H 3.759 0.000 2 4 2 2 ILE H H 7.758 0.000 1 5 2 2 ILE HA H 4.010 0.000 1 6 2 2 ILE HB H 1.744 0.000 1 7 2 2 ILE HD1 H 0.768 0.000 1 8 2 2 ILE HG12 H 1.276 0.000 2 9 2 2 ILE HG13 H 1.094 0.000 2 10 2 2 ILE HG2 H 0.777 0.000 1 11 3 3 HIS H H 8.218 0.000 1 12 3 3 HIS HA H 4.615 0.000 1 13 3 3 HIS HB2 H 3.147 0.000 2 14 3 3 HIS HB3 H 3.224 0.000 2 15 3 3 HIS HD2 H 7.244 0.000 1 16 3 3 HIS HE1 H 8.491 0.000 1 17 4 4 LEU H H 7.833 0.000 1 18 4 4 LEU HA H 4.296 0.000 1 19 4 4 LEU HB2 H 1.596 0.000 2 20 4 4 LEU HB3 H 1.559 0.000 2 21 4 4 LEU HD1 H 0.889 0.000 2 22 4 4 LEU HD2 H 0.829 0.000 2 23 5 5 ARG H H 7.932 0.000 1 24 5 5 ARG HA H 4.218 0.000 1 25 5 5 ARG HB2 H 1.816 0.000 2 26 5 5 ARG HB3 H 1.816 0.000 2 27 5 5 ARG HD2 H 3.143 0.000 2 28 5 5 ARG HD3 H 3.143 0.000 2 29 5 5 ARG HE H 7.117 0.000 1 30 5 5 ARG HG2 H 1.624 0.000 2 31 5 5 ARG HG3 H 1.624 0.000 2 32 6 6 GLY H H 8.152 0.000 1 33 6 6 GLY HA2 H 3.889 0.000 2 34 6 6 GLY HA3 H 3.889 0.000 2 35 7 7 ALA H H 7.864 0.000 1 36 7 7 ALA HA H 4.237 0.000 1 37 7 7 ALA HB H 1.374 0.000 1 38 8 8 ALA H H 7.977 0.000 1 39 8 8 ALA HA H 4.237 0.000 1 40 8 8 ALA HB H 1.372 0.000 1 41 9 9 GLN H H 7.919 0.000 1 42 9 9 GLN HA H 4.260 0.000 1 43 9 9 GLN HB2 H 1.964 0.000 2 44 9 9 GLN HB3 H 2.084 0.000 2 45 9 9 GLN HE21 H 7.384 0.000 2 46 9 9 GLN HE22 H 6.612 0.000 2 47 9 9 GLN HG2 H 2.319 0.000 2 48 9 9 GLN HG3 H 2.319 0.000 2 49 10 10 LYS H H 7.973 0.000 1 50 10 10 LYS HA H 4.274 0.000 1 51 10 10 LYS HB2 H 1.745 0.000 2 52 10 10 LYS HB3 H 1.678 0.000 2 53 10 10 LYS HE2 H 2.944 0.000 2 54 10 10 LYS HE3 H 2.944 0.000 2 55 10 10 LYS HG2 H 1.369 0.000 2 56 10 10 LYS HG3 H 1.369 0.000 2 57 11 11 ASP H H 8.125 0.000 1 58 11 11 ASP HA H 4.912 0.000 1 59 11 11 ASP HB2 H 2.659 0.000 2 60 11 11 ASP HB3 H 2.859 0.000 2 61 12 12 PRO HA H 4.353 0.000 1 62 12 12 PRO HB2 H 2.299 0.000 2 63 12 12 PRO HB3 H 2.299 0.000 2 64 12 12 PRO HD2 H 3.872 0.000 2 65 12 12 PRO HD3 H 3.872 0.000 2 66 12 12 PRO HG2 H 1.993 0.000 2 67 12 12 PRO HG3 H 1.993 0.000 2 68 13 13 LYS H H 8.097 0.000 1 69 13 13 LYS HA H 4.156 0.000 1 70 13 13 LYS HB2 H 1.686 0.000 2 71 13 13 LYS HB3 H 1.814 0.000 2 72 13 13 LYS HG2 H 1.423 0.000 2 73 13 13 LYS HG3 H 1.423 0.000 2 74 14 14 GLN H H 7.859 0.000 1 75 14 14 GLN HA H 4.200 0.000 1 76 14 14 GLN HB2 H 1.990 0.000 2 77 14 14 GLN HB3 H 2.089 0.000 2 78 14 14 GLN HE21 H 7.472 0.000 2 79 14 14 GLN HE22 H 6.642 0.000 2 80 14 14 GLN HG2 H 2.297 0.000 2 81 14 14 GLN HG3 H 2.297 0.000 2 82 15 15 GLU H H 7.943 0.000 1 83 15 15 GLU HA H 4.219 0.000 1 84 15 15 GLU HB2 H 1.917 0.000 2 85 15 15 GLU HB3 H 1.917 0.000 2 86 15 15 GLU HG2 H 2.269 0.000 2 87 15 15 GLU HG3 H 2.269 0.000 2 88 16 16 TYR H H 7.899 0.000 1 89 16 16 TYR HA H 4.488 0.000 1 90 16 16 TYR HB2 H 2.950 0.000 2 91 16 16 TYR HB3 H 3.005 0.000 2 92 16 16 TYR HD1 H 7.081 0.000 3 93 16 16 TYR HD2 H 7.081 0.000 3 94 16 16 TYR HE1 H 6.788 0.000 3 95 16 16 TYR HE2 H 6.788 0.000 3 96 17 17 LYS H H 7.801 0.000 1 97 17 17 LYS HA H 4.200 0.000 1 98 17 17 LYS HB2 H 1.789 0.000 2 99 17 17 LYS HB3 H 1.789 0.000 2 100 17 17 LYS HD2 H 1.635 0.000 2 101 17 17 LYS HD3 H 1.635 0.000 2 102 17 17 LYS HE2 H 2.933 0.000 2 103 17 17 LYS HE3 H 2.933 0.000 2 104 17 17 LYS HG2 H 1.325 0.000 2 105 17 17 LYS HG3 H 1.325 0.000 2 106 17 17 LYS HZ H 7.525 0.000 1 stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details . loop_ _Software_label $NMRPipe stop_ _Experiment_label '2D 1H-1H TOCSY' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 2 H H 2 N HN 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 20111 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 2 >> _Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY' >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 2 >> 1 8.219 1.282 0 N 5.889e+06 0.00e+00 a 0 11 8 >> 2 8.216 4.014 0 N 7.212e+07 0.00e+00 a 0 11 5 >> 3 8.216 3.146 0 N 6.596e+07 0.00e+00 a 0 11 14 >> 4 8.216 1.742 0 N 1.361e+07 0.00e+00 a 0 11 6 >> 5 8.216 0.768 0 N 2.221e+07 0.00e+00 a 0 11 9 >> 6 8.209 1.104 0 N 8.833e+05 0.00e+00 a 0 11 7 >> 7 8.153 3.889 0 N 1.514e+08 0.00e+00 a 0 32 34 >> 8 8.151 1.818 0 N 6.005e+07 0.00e+00 a 0 32 25 >> 9 8.149 1.621 0 N 3.242e+07 0.00e+00 a 0 32 27 >> 10 8.123 4.273 0 N 1.732e+08 0.00e+00 a 0 57 50 >> 11 8.121 2.859 0 N 9.192e+07 0.00e+00 a 0 57 59 >> 12 8.122 2.661 0 N 7.840e+07 0.00e+00 a 0 57 60 >> 13 8.119 4.912 0 N 4.528e+06 0.00e+00 a 0 57 58 >> 14 8.105 2.302 0 N 2.872e+07 0.00e+00 a 0 68 62 >> 15 8.102 3.856 0 N 9.513e+06 0.00e+00 a 0 68 66 >> 16 8.101 1.982 0 N 6.575e+07 0.00e+00 a 0 68 64 >> 17 8.099 1.808 0 N 9.370e+07 0.00e+00 a 0 68 70 >> 18 8.099 1.431 0 N 1.007e+08 0.00e+00 a 0 68 73 >> 19 8.020 1.590 0 N 1.361e+06 0.00e+00 a 0 1 20 >> 20 8.016 3.757 0 N 1.940e+07 0.00e+00 a 0 1 2 >> 21 8.016 2.009 0 N 2.079e+07 0.00e+00 a 0 -1 -1 >> 22 8.009 3.905 0 N 6.090e+06 0.00e+00 a 0 1 3 >> 23 7.976 1.366 0 N 2.307e+08 0.00e+00 a 0 38 40 >> 24 7.972 4.246 0 N 2.738e+08 0.00e+00 a 0 38 39 >> 25 7.973 1.753 0 N 8.605e+07 0.00e+00 a 0 49 52 >> 26 7.932 1.775 0 N 1.285e+08 0.00e+00 a 0 -1 -1 >> 27 7.930 1.603 0 N 1.187e+08 0.00e+00 a 0 23 28 >> 28 7.930 3.145 0 N 6.168e+06 0.00e+00 a 0 23 30 >> 29 7.927 2.311 0 N 5.530e+07 0.00e+00 a 0 41 46 >> 30 7.926 1.955 0 N 2.065e+08 0.00e+00 a 0 41 44 >> 31 7.927 0.848 0 N 6.494e+06 0.00e+00 a 0 23 22 >> 32 7.924 4.228 0 N 1.572e+08 0.00e+00 a 0 82 83 >> 33 7.923 2.079 0 N 7.438e+07 0.00e+00 a 0 41 43 >> 34 7.917 1.363 0 N 4.683e+07 0.00e+00 a 0 41 40 >> 35 7.901 2.930 0 N 3.896e+07 0.00e+00 a 0 88 91 >> 36 7.897 4.484 0 N 4.784e+06 0.00e+00 a 0 88 89 >> 37 7.863 3.889 0 N 8.409e+07 0.00e+00 a 0 35 34 >> 38 7.863 1.373 0 N 1.417e+08 0.00e+00 a 0 35 37 >> 39 7.859 4.182 0 N 1.323e+08 0.00e+00 a 0 74 75 >> 40 7.861 2.857 0 N 8.216e+06 0.00e+00 a 0 74 59 >> 41 7.861 2.669 0 N 1.506e+06 0.00e+00 a 0 74 60 >> 42 7.859 2.090 0 N 5.062e+07 0.00e+00 a 0 74 76 >> 43 7.859 1.812 0 N 3.974e+07 0.00e+00 a 0 74 70 >> 44 7.859 2.298 0 N 4.794e+07 0.00e+00 a 0 74 79 >> 45 7.859 1.989 0 N 9.588e+07 0.00e+00 a 0 74 77 >> 46 7.836 4.296 0 N 3.894e+07 0.00e+00 a 0 17 18 >> 47 7.832 3.231 0 N 1.111e+07 0.00e+00 a 0 17 13 >> 48 7.832 3.153 0 N 1.432e+07 0.00e+00 a 0 17 14 >> 49 7.832 1.595 0 N 1.785e+08 0.00e+00 a 0 17 20 >> 50 7.833 0.838 0 N 9.992e+06 0.00e+00 a 0 17 22 >> 51 7.802 2.963 0 N 1.242e+07 0.00e+00 a 0 96 105 >> 52 7.801 4.478 0 N 1.626e+07 0.00e+00 a 0 96 89 >> 53 7.800 4.198 0 N 1.362e+07 0.00e+00 a 0 96 97 >> 54 7.800 1.789 0 N 1.464e+07 0.00e+00 a 0 96 99 >> 55 17.000 0.000 0 N 0.000e+00 0.00e+00 - 0 96 -1 >> 56 7.758 4.011 0 N 2.914e+07 0.00e+00 a 0 4 5 >> 57 7.758 3.894 0 N 5.659e+07 0.00e+00 a 0 4 3 >> 58 7.758 3.758 0 N 3.132e+07 0.00e+00 a 0 4 2 >> 59 7.758 1.743 0 N 6.027e+07 0.00e+00 a 0 4 6 >> 60 7.759 1.277 0 N 1.221e+07 0.00e+00 a 0 4 8 >> 61 7.758 1.093 0 N 2.799e+07 0.00e+00 a 0 4 7 >> 62 7.758 0.766 0 N 3.267e+07 0.00e+00 a 0 4 9 >> 63 7.471 2.299 0 N 1.006e+07 0.00e+00 a 0 80 62 >> 64 7.383 2.331 0 N 6.148e+06 0.00e+00 a 0 47 45 >> 65 7.243 3.138 0 N 2.228e+07 0.00e+00 a 0 15 14 >> 66 7.240 0.762 0 N 1.924e+06 0.00e+00 a 0 15 9 >> 67 7.116 1.834 0 N 4.728e+06 0.00e+00 a 0 31 25 >> 68 7.117 3.141 0 N 2.900e+07 0.00e+00 a 0 31 30 >> 69 7.117 1.625 0 N 1.159e+07 0.00e+00 a 0 31 28 >> 70 7.087 4.185 0 N 5.551e+06 0.00e+00 a 0 92 75 >> 71 7.089 1.337 0 N 2.117e+06 0.00e+00 a 0 92 101 >> 72 7.084 2.310 0 N 3.099e+06 0.00e+00 a 0 92 78 >> 73 7.082 1.944 0 N 4.870e+06 0.00e+00 a 0 92 84 >> 74 7.081 4.485 0 N 7.258e+06 0.00e+00 a 0 92 89 >> 75 7.079 2.926 0 N 1.043e+08 0.00e+00 a 0 95 91 >> 76 7.062 0.840 0 N 1.225e+06 0.00e+00 a 0 -1 -1 >> 77 6.845 4.194 0 N 6.835e+06 0.00e+00 a 0 -1 -1 >> 78 6.791 2.337 0 N 2.584e+06 0.00e+00 a 0 -1 -1 >> 79 6.780 4.181 0 N 4.513e+06 0.00e+00 a 0 93 75 >> 80 6.779 3.001 0 N 7.538e+06 0.00e+00 a 0 94 90 >> 81 6.779 2.936 0 N 3.657e+06 0.00e+00 a 0 94 91 >> 82 6.778 2.266 0 N 8.003e+05 0.00e+00 a 0 93 87 >> 83 6.773 2.662 0 N 1.393e+06 0.00e+00 a 0 93 60 >> 84 6.761 4.093 0 N 2.863e+06 0.00e+00 a 0 -1 -1 >> 85 6.760 3.746 0 N 2.561e+06 0.00e+00 a 0 93 2 >> 86 6.643 2.299 0 N 7.606e+06 0.00e+00 a 0 81 78 >> 87 8.219 7.245 0 N 4.007e+06 0.00e+00 a 0 11 15 >> 88 8.216 7.827 0 N 6.593e+07 0.00e+00 a 0 11 17 >> 89 8.153 7.871 0 N 7.768e+07 0.00e+00 a 0 32 35 >> 90 8.152 7.926 0 N 7.547e+07 0.00e+00 a 0 32 23 >> 91 8.098 7.855 0 N 9.303e+07 0.00e+00 a 0 68 74 >> 92 8.016 7.743 0 N 1.179e+06 0.00e+00 a 0 1 4 >> 93 7.900 7.073 0 N 2.568e+07 0.00e+00 a 0 88 92 >> 94 7.858 8.123 0 N 5.156e+07 0.00e+00 a 0 74 68 >> 95 7.834 8.211 0 N 3.291e+07 0.00e+00 a 0 17 11 >> 96 7.801 7.103 0 N 5.335e+06 0.00e+00 a 0 96 92 >> 97 7.801 6.847 0 N 1.098e+07 0.00e+00 a 0 -1 -1 >> 98 7.799 6.774 0 N 3.282e+06 0.00e+00 a 0 96 93 >> 99 7.757 8.209 0 N 8.457e+06 0.00e+00 a 0 4 11 >> 100 7.471 6.644 0 N 6.431e+08 0.00e+00 a 0 80 81 >> 101 7.411 7.121 0 N 8.050e+06 0.00e+00 a 0 47 31 >> 102 7.383 6.609 0 N 6.614e+08 0.00e+00 a 0 47 48 >> 103 7.243 8.233 0 N 2.305e+06 0.00e+00 a 0 15 11 >> 104 7.084 7.915 0 N 1.266e+07 0.00e+00 a 0 92 82 >> 105 7.078 6.780 0 N 2.038e+08 0.00e+00 a 0 92 93 >> 106 6.844 7.796 0 N 8.095e+06 0.00e+00 a 0 -1 -1 >> 107 6.852 6.766 0 N 6.447e+08 0.00e+00 a 0 -1 -1 >> 108 6.779 7.076 0 N 1.659e+08 0.00e+00 a 0 93 92 >> 109 6.777 6.847 0 N 1.983e+09 0.00e+00 a 0 -1 -1 >> 110 6.768 7.797 0 N 1.584e+06 0.00e+00 a 0 93 96 >> 111 6.644 7.469 0 N 9.612e+08 0.00e+00 a 0 81 80 >> 112 6.610 7.383 0 N 1.004e+09 0.00e+00 a 0 48 47 >> 113 4.917 3.872 0 N 9.089e+07 0.00e+00 a 0 58 66 >> 114 4.914 2.857 0 N 3.692e+07 0.00e+00 a 0 58 59 >> 115 4.914 2.663 0 N 4.423e+07 0.00e+00 a 0 58 60 >> 116 4.916 1.994 0 N 1.340e+07 0.00e+00 a 0 58 64 >> 117 4.480 3.009 0 N 3.084e+07 0.00e+00 a 0 89 90 >> 118 4.349 2.295 0 N 8.224e+07 0.00e+00 a 0 61 63 >> 119 4.349 1.972 0 N 8.124e+07 0.00e+00 a 0 61 65 >> 120 4.296 0.830 0 N 4.681e+07 0.00e+00 a 0 18 22 >> 121 4.294 1.582 0 N 1.190e+08 0.00e+00 a 0 18 20 >> 122 4.277 1.751 0 N 1.042e+08 0.00e+00 a 0 50 52 >> 123 4.248 2.323 0 N 6.140e+07 0.00e+00 a 0 42 46 >> 124 4.250 2.075 0 N 8.854e+07 0.00e+00 a 0 42 43 >> 125 4.234 1.367 0 N 3.084e+08 0.00e+00 a 0 39 40 >> 126 4.223 2.958 0 N 1.172e+07 0.00e+00 a 0 97 105 >> 127 4.216 3.127 0 N 1.116e+07 0.00e+00 a 0 24 30 >> 128 4.217 1.967 0 N 1.591e+08 0.00e+00 a 0 75 77 >> 129 4.216 1.867 0 N 1.286e+08 0.00e+00 a 0 -1 -1 >> 130 4.208 2.288 0 N 8.870e+07 0.00e+00 a 0 75 79 >> 131 4.211 1.633 0 N 7.220e+07 0.00e+00 a 0 97 103 >> 132 4.208 2.094 0 N 9.116e+07 0.00e+00 a 0 75 76 >> 133 4.156 2.967 0 N 6.921e+06 0.00e+00 a 0 69 91 >> 134 4.154 1.810 0 N 1.353e+08 0.00e+00 a 0 69 70 >> 135 4.154 1.681 0 N 4.753e+06 0.00e+00 a 0 69 71 >> 136 4.154 1.421 0 N 5.522e+07 0.00e+00 a 0 69 73 >> 137 4.153 1.997 0 N 3.171e+06 0.00e+00 a 0 69 64 >> 138 4.016 3.152 0 N 2.992e+06 0.00e+00 a 0 5 30 >> 139 4.013 1.745 0 N 6.216e+07 0.00e+00 a 0 5 6 >> 140 4.013 1.273 0 N 7.200e+06 0.00e+00 a 0 5 8 >> 141 4.012 1.084 0 N 6.086e+06 0.00e+00 a 0 5 7 >> 142 4.013 0.768 0 N 3.784e+07 0.00e+00 a 0 5 10 >> 143 3.137 1.845 0 N 2.886e+07 0.00e+00 a 0 29 25 >> 144 3.137 1.786 0 N 3.538e+07 0.00e+00 a 0 29 25 >> 145 3.137 1.622 0 N 1.032e+08 0.00e+00 a 0 29 27 >> 146 3.038 1.164 0 N 3.195e+06 0.00e+00 a 0 -1 -1 >> 147 2.961 1.789 0 N 4.445e+07 0.00e+00 a 0 104 98 >> 148 2.956 1.679 0 N 4.413e+07 0.00e+00 a 0 55 51 >> 149 2.956 1.430 0 N 1.920e+07 0.00e+00 a 0 55 73 >> 150 2.930 1.348 0 N 7.260e+06 0.00e+00 a 0 55 53 >> 151 2.912 1.591 0 N 1.005e+07 0.00e+00 a 0 -1 -1 >> 152 2.855 1.993 0 N 1.841e+07 0.00e+00 a 0 -1 -1 >> 153 2.855 2.301 0 N 9.426e+06 0.00e+00 a 0 -1 -1 >> 154 2.856 2.661 0 N 4.918e+08 0.00e+00 a 0 59 60 >> 155 2.665 2.858 0 N 4.681e+08 0.00e+00 a 0 60 59 >> 156 2.319 2.075 0 N 1.836e+08 0.00e+00 a 0 45 43 >> 157 2.297 1.966 0 N 7.886e+08 0.00e+00 a 0 46 44 >> 158 2.092 2.313 0 N 1.252e+08 0.00e+00 a 0 43 45 >> 159 1.964 2.298 0 N 6.202e+08 0.00e+00 a 0 44 46 >> 160 1.806 1.433 0 N 1.822e+08 0.00e+00 a 0 70 72 >> 161 1.742 0.771 0 N 7.265e+07 0.00e+00 a 0 6 10 >> 162 1.740 1.094 0 N 2.083e+07 0.00e+00 a 0 6 7 >> 163 1.679 1.420 0 N 6.190e+07 0.00e+00 a 0 71 73 >> 164 1.611 1.349 0 N 1.036e+07 0.00e+00 a 0 102 100 >> 165 1.550 0.858 0 N 1.107e+08 0.00e+00 a 0 19 22 >> 166 1.423 1.799 0 N 2.182e+08 0.00e+00 a 0 72 70 >> 167 1.414 1.679 0 N 1.043e+08 0.00e+00 a 0 73 71 >> 168 1.274 1.092 0 N 6.872e+07 0.00e+00 a 0 8 7 >> 169 1.272 0.780 0 N 2.332e+07 0.00e+00 a 0 8 9 >> 170 1.100 1.745 0 N 1.524e+07 0.00e+00 a 0 7 6 >> 171 1.099 1.287 0 N 3.129e+07 0.00e+00 a 0 7 8 >> 172 0.891 1.575 0 N 8.350e+07 0.00e+00 a 0 21 19 >> 173 0.830 1.578 0 N 6.783e+07 0.00e+00 a 0 22 19 >> 174 0.834 2.016 0 N 5.466e+06 0.00e+00 a 0 -1 -1 >> 175 0.794 1.293 0 N 2.282e+07 0.00e+00 a 0 9 8 >> 176 0.771 1.740 0 N 7.183e+07 0.00e+00 a 0 10 6 >> 177 2.085 2.861 0 N 3.576e+06 0.00e+00 a 0 -1 -1 >> 178 1.845 3.137 0 N 2.202e+07 0.00e+00 a 0 26 30 >> 179 1.811 2.964 0 N 2.948e+07 0.00e+00 a 0 -1 -1 >> 180 1.761 3.137 0 N 2.867e+07 0.00e+00 a 0 -1 -1 >> 181 1.679 2.957 0 N 7.421e+07 0.00e+00 a 0 51 55 >> 182 1.645 3.136 0 N 6.866e+07 0.00e+00 a 0 28 30 >> 183 1.607 2.883 0 N 5.367e+06 0.00e+00 a 0 -1 -1 >> 184 1.603 3.139 0 N 4.870e+07 0.00e+00 a 0 28 30 >> 185 1.417 2.948 0 N 2.200e+07 0.00e+00 a 0 -1 -1 >> 186 1.355 2.892 0 N 1.012e+07 0.00e+00 a 0 -1 -1 >> 187 1.354 3.122 0 N 4.899e+06 0.00e+00 a 0 -1 -1 >> 188 1.353 2.951 0 N 9.017e+06 0.00e+00 a 0 53 55 >> 189 1.342 3.276 0 N 6.636e+06 0.00e+00 a 0 -1 -1 >> 190 1.235 3.318 0 N 5.759e+06 0.00e+00 a 0 -1 -1 >> 191 1.202 3.408 0 N 7.162e+06 0.00e+00 a 0 -1 -1 >> 192 2.298 4.214 0 N 7.137e+07 0.00e+00 a 0 79 75 >> 193 2.297 4.346 0 N 5.162e+07 0.00e+00 a 0 63 61 >> 194 2.088 4.221 0 N 7.774e+07 0.00e+00 a 0 76 75 >> 195 1.994 4.356 0 N 2.088e+07 0.00e+00 a 0 65 61 >> 196 1.971 4.221 0 N 1.226e+08 0.00e+00 a 0 77 75 >> 197 1.811 4.160 0 N 1.044e+08 0.00e+00 a 0 70 69 >> 198 1.769 4.238 0 N 2.940e+07 0.00e+00 a 0 52 39 >> 199 1.746 4.014 0 N 4.072e+07 0.00e+00 a 0 6 5 >> 200 1.695 4.271 0 N 3.595e+07 0.00e+00 a 0 51 50 >> 201 1.654 4.209 0 N 2.922e+07 0.00e+00 a 0 103 97 >> 202 1.606 4.275 0 N 6.569e+07 0.00e+00 a 0 20 18 >> 203 1.415 4.153 0 N 7.029e+07 0.00e+00 a 0 73 69 >> 204 1.380 3.970 0 N 7.791e+06 0.00e+00 a 0 -1 -1 >> 205 1.366 4.232 0 N 1.899e+08 0.00e+00 a 0 40 39 >> 206 0.901 4.166 0 N 1.252e+06 0.00e+00 a 0 -1 -1 >> 207 0.890 4.398 0 N 3.864e+06 0.00e+00 a 0 -1 -1 >> 208 0.843 4.105 0 N 2.126e+06 0.00e+00 a 0 -1 -1 >> 209 0.832 4.288 0 N 2.004e+07 0.00e+00 a 0 22 18 >> 210 0.771 4.017 0 N 1.894e+07 0.00e+00 a 0 10 5 >> 211 2.859 4.912 0 N 6.006e+06 0.00e+00 a 0 59 58 >> 212 2.663 4.913 0 N 1.477e+07 0.00e+00 a 0 60 58 >> 213 4.916 8.116 0 N 1.996e+07 0.00e+00 a 0 58 57 >> 214 4.612 7.825 0 N 1.135e+07 0.00e+00 a 0 12 17 >> 215 4.483 7.891 0 N 5.544e+07 0.00e+00 a 0 89 88 >> 216 4.481 7.803 0 N 5.860e+07 0.00e+00 a 0 89 96 >> 217 4.481 7.081 0 N 2.170e+07 0.00e+00 a 0 89 92 >> 218 4.351 8.095 0 N 4.602e+07 0.00e+00 a 0 61 68 >> 219 4.277 8.122 0 N 2.667e+08 0.00e+00 a 0 50 57 >> 220 4.230 7.939 0 N 8.538e+08 0.00e+00 a 0 83 82 >> 221 4.215 8.153 0 N 3.427e+07 0.00e+00 a 0 24 32 >> 222 4.217 7.075 0 N 4.506e+06 0.00e+00 a 0 -1 -1 >> 223 4.200 6.831 0 N 2.334e+07 0.00e+00 a 0 -1 -1 >> 224 4.154 8.094 0 N 5.940e+07 0.00e+00 a 0 69 68 >> 225 4.155 7.855 0 N 6.759e+07 0.00e+00 a 0 69 74 >> 226 4.013 8.215 0 N 8.943e+07 0.00e+00 a 0 5 11 >> 227 4.013 7.758 0 N 4.181e+07 0.00e+00 a 0 5 4 >> 228 4.009 7.939 0 N 2.711e+06 0.00e+00 a 0 5 23 >> 229 3.933 7.513 0 N 7.007e+06 0.00e+00 a 0 3 106 >> 230 3.918 8.004 0 N 4.034e+06 0.00e+00 a 0 3 1 >> 231 3.906 7.250 0 N 1.263e+07 0.00e+00 a 0 3 15 >> 232 3.886 7.865 0 N 1.465e+08 0.00e+00 a 0 34 35 >> 233 3.885 7.374 0 N 2.254e+07 0.00e+00 a 0 33 47 >> 234 3.886 7.320 0 N 2.319e+07 0.00e+00 a 0 -1 -1 >> 235 3.882 8.139 0 N 2.012e+08 0.00e+00 a 0 67 57 >> 236 3.881 7.827 0 N 8.133e+07 0.00e+00 a 0 3 17 >> 237 3.875 7.133 0 N 3.826e+07 0.00e+00 a 0 34 31 >> 238 3.873 6.798 0 N 1.611e+07 0.00e+00 a 0 66 93 >> 239 3.872 6.721 0 N 3.392e+07 0.00e+00 a 0 -1 -1 >> 240 3.840 7.699 0 N 1.867e+07 0.00e+00 a 0 -1 -1 >> 241 3.843 7.027 0 N 9.850e+07 0.00e+00 a 0 -1 -1 >> 242 3.841 6.857 0 N 1.986e+07 0.00e+00 a 0 -1 -1 >> 243 3.832 7.939 0 N 2.199e+06 0.00e+00 a 0 -1 -1 >> 244 3.766 8.014 0 N 3.538e+07 0.00e+00 a 0 2 1 >> 245 3.763 7.758 0 N 1.979e+07 0.00e+00 a 0 2 4 >> 246 3.329 6.773 0 N 3.781e+06 0.00e+00 a 0 -1 -1 >> 247 3.286 6.974 0 N 5.724e+06 0.00e+00 a 0 -1 -1 >> 248 3.273 7.605 0 N 2.675e+06 0.00e+00 a 0 -1 -1 >> 249 3.236 8.214 0 N 2.179e+07 0.00e+00 a 0 13 11 >> 250 3.237 7.834 0 N 1.013e+07 0.00e+00 a 0 13 17 >> 251 3.231 7.246 0 N 2.454e+06 0.00e+00 a 0 13 15 >> 252 3.149 7.836 0 N 1.034e+07 0.00e+00 a 0 14 17 >> 253 3.146 8.213 0 N 4.899e+07 0.00e+00 a 0 14 11 >> 254 3.147 7.232 0 N 6.675e+06 0.00e+00 a 0 14 15 >> 255 3.140 7.119 0 N 2.555e+07 0.00e+00 a 0 30 31 >> 256 3.082 8.066 0 N 2.421e+06 0.00e+00 a 0 -1 -1 >> 257 3.019 6.779 0 N 3.442e+06 0.00e+00 a 0 90 94 >> 258 3.017 7.899 0 N 5.031e+07 0.00e+00 a 0 90 88 >> 259 3.017 7.080 0 N 5.870e+07 0.00e+00 a 0 90 95 >> 260 2.970 7.387 0 N 3.345e+05 0.00e+00 a 0 56 47 >> 261 2.937 7.900 0 N 7.264e+07 0.00e+00 a 0 91 88 >> 262 2.937 7.081 0 N 4.600e+07 0.00e+00 a 0 105 92 >> 263 2.860 7.856 0 N 1.224e+07 0.00e+00 a 0 59 74 >> 264 2.858 8.118 0 N 8.307e+07 0.00e+00 a 0 59 57 >> 265 2.664 8.119 0 N 7.523e+07 0.00e+00 a 0 60 57 >> 266 2.332 7.369 0 N 1.508e+07 0.00e+00 a 0 45 47 >> 267 2.318 7.916 0 N 1.177e+08 0.00e+00 a 0 46 41 >> 268 2.302 8.112 0 N 1.935e+07 0.00e+00 a 0 62 68 >> 269 2.301 7.472 0 N 1.078e+07 0.00e+00 a 0 62 80 >> 270 2.084 7.919 0 N 1.002e+08 0.00e+00 a 0 43 41 >> 271 2.026 7.634 0 N 6.862e+06 0.00e+00 a 0 -1 -1 >> 272 2.011 8.023 0 N 6.770e+07 0.00e+00 a 0 -1 -1 >> 273 1.972 8.110 0 N 3.546e+07 0.00e+00 a 0 65 68 >> 274 1.966 7.916 0 N 1.509e+08 0.00e+00 a 0 44 41 >> 275 1.885 7.931 0 N 8.795e+07 0.00e+00 a 0 -1 -1 >> 276 1.810 8.097 0 N 1.137e+08 0.00e+00 a 0 70 68 >> 277 1.810 7.858 0 N 5.391e+07 0.00e+00 a 0 25 35 >> 278 1.764 7.941 0 N 9.924e+07 0.00e+00 a 0 -1 -1 >> 279 1.744 7.755 0 N 7.437e+07 0.00e+00 a 0 6 4 >> 280 1.697 7.968 0 N 8.284e+07 0.00e+00 a 0 51 49 >> 281 1.692 8.113 0 N 8.936e+06 0.00e+00 a 0 71 68 >> 282 1.611 7.825 0 N 1.066e+08 0.00e+00 a 0 103 96 >> 283 1.555 7.829 0 N 5.058e+07 0.00e+00 a 0 19 17 >> 284 1.438 8.097 0 N 4.691e+07 0.00e+00 a 0 73 68 >> 285 1.600 7.936 0 N 6.659e+07 0.00e+00 a 0 28 23 >> 286 1.389 7.366 0 N 1.057e+06 0.00e+00 a 0 37 47 >> 287 1.382 7.063 0 N 7.551e+06 0.00e+00 a 0 -1 -1 >> 288 1.370 7.875 0 N 1.349e+08 0.00e+00 a 0 37 35 >> 289 1.365 7.967 0 N 3.173e+08 0.00e+00 a 0 40 38 >> 290 1.351 7.214 0 N 2.020e+06 0.00e+00 a 0 -1 -1 >> 291 1.280 7.753 0 N 1.153e+07 0.00e+00 a 0 8 4 >> 292 1.230 6.880 0 N 5.012e+06 0.00e+00 a 0 -1 -1 >> 293 1.199 6.727 0 N 4.306e+06 0.00e+00 a 0 -1 -1 >> 294 1.191 8.275 0 N 7.697e+06 0.00e+00 a 0 -1 -1 >> 295 1.090 7.756 0 N 2.494e+07 0.00e+00 a 0 7 4 >> 296 0.902 8.039 0 N 1.780e+06 0.00e+00 a 0 21 1 >> 297 0.835 7.849 0 N 1.569e+06 0.00e+00 a 0 22 17 >> 298 0.829 7.934 0 N 2.476e+06 0.00e+00 a 0 22 23 >> 299 0.763 8.214 0 N 1.445e+07 0.00e+00 a 0 9 11 >> 300 0.762 7.762 0 N 2.860e+07 0.00e+00 a 0 9 4 >> 301 0.754 7.520 0 N 3.902e+06 0.00e+00 a 0 -1 -1 >> 302 0.754 7.196 0 N 5.526e+06 0.00e+00 a 0 -1 -1 >> 303 0.749 7.011 0 N 2.721e+06 0.00e+00 a 0 -1 -1 >> 304 8.093 4.358 0 N 2.228e+07 0.00e+00 a 0 68 61 >> 305 8.154 4.200 0 N 1.662e+07 0.00e+00 a 0 32 24 >> 306 8.097 4.155 0 N 6.454e+07 0.00e+00 a 0 68 69 >> 307 7.240 3.245 0 N 9.555e+06 0.00e+00 a 0 15 13 >> 308 7.080 3.033 0 N 8.965e+07 0.00e+00 a 0 95 90 >> 309 8.216 7.743 0 N 3.473e+07 0.00e+00 a 0 11 4 >> 310 7.974 1.651 0 N 5.969e+07 0.00e+00 a 0 49 51 >> 311 7.901 3.024 0 N 2.998e+07 0.00e+00 a 0 88 90 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 2 H 1 H . 10000 . . 20111 1 >> 2 N 15 HN . 2700 . . 20111 1 >> >> stop_ >> >> loop_ >> _Spectral_peak_software.Software_ID >> _Spectral_peak_software.Software_label >> _Spectral_peak_software.Method_ID >> _Spectral_peak_software.Method_label >> _Spectral_peak_software.Entry_ID >> _Spectral_peak_software.Spectral_peak_list_ID >> >> 1 $NMRPipe . . 20111 1 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_2 _Saveframe_category spectral_peak_list _Details . loop_ _Software_label $NMRView stop_ _Experiment_label '2D 1H-1H NOESY' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 2 H 2k stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_2 >> _Spectral_peak_list.Entry_ID 20111 >> _Spectral_peak_list.ID 2 >> _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 4 >> _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 2 >> 1 8.219 1.282 0 N 5.889e+06 0.00e+00 a 0 11 8 >> 2 8.216 4.014 0 N 7.212e+07 0.00e+00 a 0 11 5 >> 3 8.216 3.146 0 N 6.596e+07 0.00e+00 a 0 11 14 >> 4 8.216 1.742 0 N 1.361e+07 0.00e+00 a 0 11 6 >> 5 8.216 0.768 0 N 2.221e+07 0.00e+00 a 0 11 9 >> 6 8.209 1.104 0 N 8.833e+05 0.00e+00 a 0 11 7 >> 7 8.153 3.889 0 N 1.514e+08 0.00e+00 a 0 32 34 >> 8 8.151 1.818 0 N 6.005e+07 0.00e+00 a 0 32 25 >> 9 8.149 1.621 0 N 3.242e+07 0.00e+00 a 0 32 27 >> 10 8.123 4.273 0 N 1.732e+08 0.00e+00 a 0 57 50 >> 11 8.121 2.859 0 N 9.192e+07 0.00e+00 a 0 57 59 >> 12 8.122 2.661 0 N 7.840e+07 0.00e+00 a 0 57 60 >> 13 8.119 4.912 0 N 4.528e+06 0.00e+00 a 0 57 58 >> 14 8.105 2.302 0 N 2.872e+07 0.00e+00 a 0 68 62 >> 15 8.102 3.856 0 N 9.513e+06 0.00e+00 a 0 68 66 >> 16 8.101 1.982 0 N 6.575e+07 0.00e+00 a 0 68 64 >> 17 8.099 1.808 0 N 9.370e+07 0.00e+00 a 0 68 70 >> 18 8.099 1.431 0 N 1.007e+08 0.00e+00 a 0 68 73 >> 19 8.020 1.590 0 N 1.361e+06 0.00e+00 a 0 1 20 >> 20 8.016 3.757 0 N 1.940e+07 0.00e+00 a 0 1 2 >> 21 8.016 2.009 0 N 2.079e+07 0.00e+00 a 0 -1 -1 >> 22 8.009 3.905 0 N 6.090e+06 0.00e+00 a 0 1 3 >> 23 7.976 1.366 0 N 2.307e+08 0.00e+00 a 0 38 40 >> 24 7.972 4.246 0 N 2.738e+08 0.00e+00 a 0 38 39 >> 25 7.973 1.753 0 N 8.605e+07 0.00e+00 a 0 49 52 >> 26 7.932 1.775 0 N 1.285e+08 0.00e+00 a 0 -1 -1 >> 27 7.930 1.603 0 N 1.187e+08 0.00e+00 a 0 23 28 >> 28 7.930 3.145 0 N 6.168e+06 0.00e+00 a 0 23 30 >> 29 7.927 2.311 0 N 5.530e+07 0.00e+00 a 0 41 46 >> 30 7.926 1.955 0 N 2.065e+08 0.00e+00 a 0 41 44 >> 31 7.927 0.848 0 N 6.494e+06 0.00e+00 a 0 23 22 >> 32 7.924 4.228 0 N 1.572e+08 0.00e+00 a 0 82 83 >> 33 7.923 2.079 0 N 7.438e+07 0.00e+00 a 0 41 43 >> 34 7.917 1.363 0 N 4.683e+07 0.00e+00 a 0 41 40 >> 35 7.901 2.930 0 N 3.896e+07 0.00e+00 a 0 88 91 >> 36 7.897 4.484 0 N 4.784e+06 0.00e+00 a 0 88 89 >> 37 7.863 3.889 0 N 8.409e+07 0.00e+00 a 0 35 34 >> 38 7.863 1.373 0 N 1.417e+08 0.00e+00 a 0 35 37 >> 39 7.859 4.182 0 N 1.323e+08 0.00e+00 a 0 74 75 >> 40 7.861 2.857 0 N 8.216e+06 0.00e+00 a 0 74 59 >> 41 7.861 2.669 0 N 1.506e+06 0.00e+00 a 0 74 60 >> 42 7.859 2.090 0 N 5.062e+07 0.00e+00 a 0 74 76 >> 43 7.859 1.812 0 N 3.974e+07 0.00e+00 a 0 74 70 >> 44 7.859 2.298 0 N 4.794e+07 0.00e+00 a 0 74 79 >> 45 7.859 1.989 0 N 9.588e+07 0.00e+00 a 0 74 77 >> 46 7.836 4.296 0 N 3.894e+07 0.00e+00 a 0 17 18 >> 47 7.832 3.231 0 N 1.111e+07 0.00e+00 a 0 17 13 >> 48 7.832 3.153 0 N 1.432e+07 0.00e+00 a 0 17 14 >> 49 7.832 1.595 0 N 1.785e+08 0.00e+00 a 0 17 20 >> 50 7.833 0.838 0 N 9.992e+06 0.00e+00 a 0 17 22 >> 51 7.802 2.963 0 N 1.242e+07 0.00e+00 a 0 96 105 >> 52 7.801 4.478 0 N 1.626e+07 0.00e+00 a 0 96 89 >> 53 7.800 4.198 0 N 1.362e+07 0.00e+00 a 0 96 97 >> 54 7.800 1.789 0 N 1.464e+07 0.00e+00 a 0 96 99 >> 55 17.000 0.000 0 N 0.000e+00 0.00e+00 - 0 96 -1 >> 56 7.758 4.011 0 N 2.914e+07 0.00e+00 a 0 4 5 >> 57 7.758 3.894 0 N 5.659e+07 0.00e+00 a 0 4 3 >> 58 7.758 3.758 0 N 3.132e+07 0.00e+00 a 0 4 2 >> 59 7.758 1.743 0 N 6.027e+07 0.00e+00 a 0 4 6 >> 60 7.759 1.277 0 N 1.221e+07 0.00e+00 a 0 4 8 >> 61 7.758 1.093 0 N 2.799e+07 0.00e+00 a 0 4 7 >> 62 7.758 0.766 0 N 3.267e+07 0.00e+00 a 0 4 9 >> 63 7.471 2.299 0 N 1.006e+07 0.00e+00 a 0 80 62 >> 64 7.383 2.331 0 N 6.148e+06 0.00e+00 a 0 47 45 >> 65 7.243 3.138 0 N 2.228e+07 0.00e+00 a 0 15 14 >> 66 7.240 0.762 0 N 1.924e+06 0.00e+00 a 0 15 9 >> 67 7.116 1.834 0 N 4.728e+06 0.00e+00 a 0 31 25 >> 68 7.117 3.141 0 N 2.900e+07 0.00e+00 a 0 31 30 >> 69 7.117 1.625 0 N 1.159e+07 0.00e+00 a 0 31 28 >> 70 7.087 4.185 0 N 5.551e+06 0.00e+00 a 0 92 75 >> 71 7.089 1.337 0 N 2.117e+06 0.00e+00 a 0 92 101 >> 72 7.084 2.310 0 N 3.099e+06 0.00e+00 a 0 92 78 >> 73 7.082 1.944 0 N 4.870e+06 0.00e+00 a 0 92 84 >> 74 7.081 4.485 0 N 7.258e+06 0.00e+00 a 0 92 89 >> 75 7.079 2.926 0 N 1.043e+08 0.00e+00 a 0 95 91 >> 76 7.062 0.840 0 N 1.225e+06 0.00e+00 a 0 -1 -1 >> 77 6.845 4.194 0 N 6.835e+06 0.00e+00 a 0 -1 -1 >> 78 6.791 2.337 0 N 2.584e+06 0.00e+00 a 0 -1 -1 >> 79 6.780 4.181 0 N 4.513e+06 0.00e+00 a 0 93 75 >> 80 6.779 3.001 0 N 7.538e+06 0.00e+00 a 0 94 90 >> 81 6.779 2.936 0 N 3.657e+06 0.00e+00 a 0 94 91 >> 82 6.778 2.266 0 N 8.003e+05 0.00e+00 a 0 93 87 >> 83 6.773 2.662 0 N 1.393e+06 0.00e+00 a 0 93 60 >> 84 6.761 4.093 0 N 2.863e+06 0.00e+00 a 0 -1 -1 >> 85 6.760 3.746 0 N 2.561e+06 0.00e+00 a 0 93 2 >> 86 6.643 2.299 0 N 7.606e+06 0.00e+00 a 0 81 78 >> 87 8.219 7.245 0 N 4.007e+06 0.00e+00 a 0 11 15 >> 88 8.216 7.827 0 N 6.593e+07 0.00e+00 a 0 11 17 >> 89 8.153 7.871 0 N 7.768e+07 0.00e+00 a 0 32 35 >> 90 8.152 7.926 0 N 7.547e+07 0.00e+00 a 0 32 23 >> 91 8.098 7.855 0 N 9.303e+07 0.00e+00 a 0 68 74 >> 92 8.016 7.743 0 N 1.179e+06 0.00e+00 a 0 1 4 >> 93 7.900 7.073 0 N 2.568e+07 0.00e+00 a 0 88 92 >> 94 7.858 8.123 0 N 5.156e+07 0.00e+00 a 0 74 68 >> 95 7.834 8.211 0 N 3.291e+07 0.00e+00 a 0 17 11 >> 96 7.801 7.103 0 N 5.335e+06 0.00e+00 a 0 96 92 >> 97 7.801 6.847 0 N 1.098e+07 0.00e+00 a 0 -1 -1 >> 98 7.799 6.774 0 N 3.282e+06 0.00e+00 a 0 96 93 >> 99 7.757 8.209 0 N 8.457e+06 0.00e+00 a 0 4 11 >> 100 7.471 6.644 0 N 6.431e+08 0.00e+00 a 0 80 81 >> 101 7.411 7.121 0 N 8.050e+06 0.00e+00 a 0 47 31 >> 102 7.383 6.609 0 N 6.614e+08 0.00e+00 a 0 47 48 >> 103 7.243 8.233 0 N 2.305e+06 0.00e+00 a 0 15 11 >> 104 7.084 7.915 0 N 1.266e+07 0.00e+00 a 0 92 82 >> 105 7.078 6.780 0 N 2.038e+08 0.00e+00 a 0 92 93 >> 106 6.844 7.796 0 N 8.095e+06 0.00e+00 a 0 -1 -1 >> 107 6.852 6.766 0 N 6.447e+08 0.00e+00 a 0 -1 -1 >> 108 6.779 7.076 0 N 1.659e+08 0.00e+00 a 0 93 92 >> 109 6.777 6.847 0 N 1.983e+09 0.00e+00 a 0 -1 -1 >> 110 6.768 7.797 0 N 1.584e+06 0.00e+00 a 0 93 96 >> 111 6.644 7.469 0 N 9.612e+08 0.00e+00 a 0 81 80 >> 112 6.610 7.383 0 N 1.004e+09 0.00e+00 a 0 48 47 >> 113 4.917 3.872 0 N 9.089e+07 0.00e+00 a 0 58 66 >> 114 4.914 2.857 0 N 3.692e+07 0.00e+00 a 0 58 59 >> 115 4.914 2.663 0 N 4.423e+07 0.00e+00 a 0 58 60 >> 116 4.916 1.994 0 N 1.340e+07 0.00e+00 a 0 58 64 >> 117 4.480 3.009 0 N 3.084e+07 0.00e+00 a 0 89 90 >> 118 4.349 2.295 0 N 8.224e+07 0.00e+00 a 0 61 63 >> 119 4.349 1.972 0 N 8.124e+07 0.00e+00 a 0 61 65 >> 120 4.296 0.830 0 N 4.681e+07 0.00e+00 a 0 18 22 >> 121 4.294 1.582 0 N 1.190e+08 0.00e+00 a 0 18 20 >> 122 4.277 1.751 0 N 1.042e+08 0.00e+00 a 0 50 52 >> 123 4.248 2.323 0 N 6.140e+07 0.00e+00 a 0 42 46 >> 124 4.250 2.075 0 N 8.854e+07 0.00e+00 a 0 42 43 >> 125 4.234 1.367 0 N 3.084e+08 0.00e+00 a 0 39 40 >> 126 4.223 2.958 0 N 1.172e+07 0.00e+00 a 0 97 105 >> 127 4.216 3.127 0 N 1.116e+07 0.00e+00 a 0 24 30 >> 128 4.217 1.967 0 N 1.591e+08 0.00e+00 a 0 75 77 >> 129 4.216 1.867 0 N 1.286e+08 0.00e+00 a 0 -1 -1 >> 130 4.208 2.288 0 N 8.870e+07 0.00e+00 a 0 75 79 >> 131 4.211 1.633 0 N 7.220e+07 0.00e+00 a 0 97 103 >> 132 4.208 2.094 0 N 9.116e+07 0.00e+00 a 0 75 76 >> 133 4.156 2.967 0 N 6.921e+06 0.00e+00 a 0 69 91 >> 134 4.154 1.810 0 N 1.353e+08 0.00e+00 a 0 69 70 >> 135 4.154 1.681 0 N 4.753e+06 0.00e+00 a 0 69 71 >> 136 4.154 1.421 0 N 5.522e+07 0.00e+00 a 0 69 73 >> 137 4.153 1.997 0 N 3.171e+06 0.00e+00 a 0 69 64 >> 138 4.016 3.152 0 N 2.992e+06 0.00e+00 a 0 5 30 >> 139 4.013 1.745 0 N 6.216e+07 0.00e+00 a 0 5 6 >> 140 4.013 1.273 0 N 7.200e+06 0.00e+00 a 0 5 8 >> 141 4.012 1.084 0 N 6.086e+06 0.00e+00 a 0 5 7 >> 142 4.013 0.768 0 N 3.784e+07 0.00e+00 a 0 5 10 >> 143 3.137 1.845 0 N 2.886e+07 0.00e+00 a 0 29 25 >> 144 3.137 1.786 0 N 3.538e+07 0.00e+00 a 0 29 25 >> 145 3.137 1.622 0 N 1.032e+08 0.00e+00 a 0 29 27 >> 146 3.038 1.164 0 N 3.195e+06 0.00e+00 a 0 -1 -1 >> 147 2.961 1.789 0 N 4.445e+07 0.00e+00 a 0 104 98 >> 148 2.956 1.679 0 N 4.413e+07 0.00e+00 a 0 55 51 >> 149 2.956 1.430 0 N 1.920e+07 0.00e+00 a 0 55 73 >> 150 2.930 1.348 0 N 7.260e+06 0.00e+00 a 0 55 53 >> 151 2.912 1.591 0 N 1.005e+07 0.00e+00 a 0 -1 -1 >> 152 2.855 1.993 0 N 1.841e+07 0.00e+00 a 0 -1 -1 >> 153 2.855 2.301 0 N 9.426e+06 0.00e+00 a 0 -1 -1 >> 154 2.856 2.661 0 N 4.918e+08 0.00e+00 a 0 59 60 >> 155 2.665 2.858 0 N 4.681e+08 0.00e+00 a 0 60 59 >> 156 2.319 2.075 0 N 1.836e+08 0.00e+00 a 0 45 43 >> 157 2.297 1.966 0 N 7.886e+08 0.00e+00 a 0 46 44 >> 158 2.092 2.313 0 N 1.252e+08 0.00e+00 a 0 43 45 >> 159 1.964 2.298 0 N 6.202e+08 0.00e+00 a 0 44 46 >> 160 1.806 1.433 0 N 1.822e+08 0.00e+00 a 0 70 72 >> 161 1.742 0.771 0 N 7.265e+07 0.00e+00 a 0 6 10 >> 162 1.740 1.094 0 N 2.083e+07 0.00e+00 a 0 6 7 >> 163 1.679 1.420 0 N 6.190e+07 0.00e+00 a 0 71 73 >> 164 1.611 1.349 0 N 1.036e+07 0.00e+00 a 0 102 100 >> 165 1.550 0.858 0 N 1.107e+08 0.00e+00 a 0 19 22 >> 166 1.423 1.799 0 N 2.182e+08 0.00e+00 a 0 72 70 >> 167 1.414 1.679 0 N 1.043e+08 0.00e+00 a 0 73 71 >> 168 1.274 1.092 0 N 6.872e+07 0.00e+00 a 0 8 7 >> 169 1.272 0.780 0 N 2.332e+07 0.00e+00 a 0 8 9 >> 170 1.100 1.745 0 N 1.524e+07 0.00e+00 a 0 7 6 >> 171 1.099 1.287 0 N 3.129e+07 0.00e+00 a 0 7 8 >> 172 0.891 1.575 0 N 8.350e+07 0.00e+00 a 0 21 19 >> 173 0.830 1.578 0 N 6.783e+07 0.00e+00 a 0 22 19 >> 174 0.834 2.016 0 N 5.466e+06 0.00e+00 a 0 -1 -1 >> 175 0.794 1.293 0 N 2.282e+07 0.00e+00 a 0 9 8 >> 176 0.771 1.740 0 N 7.183e+07 0.00e+00 a 0 10 6 >> 177 2.085 2.861 0 N 3.576e+06 0.00e+00 a 0 -1 -1 >> 178 1.845 3.137 0 N 2.202e+07 0.00e+00 a 0 26 30 >> 179 1.811 2.964 0 N 2.948e+07 0.00e+00 a 0 -1 -1 >> 180 1.761 3.137 0 N 2.867e+07 0.00e+00 a 0 -1 -1 >> 181 1.679 2.957 0 N 7.421e+07 0.00e+00 a 0 51 55 >> 182 1.645 3.136 0 N 6.866e+07 0.00e+00 a 0 28 30 >> 183 1.607 2.883 0 N 5.367e+06 0.00e+00 a 0 -1 -1 >> 184 1.603 3.139 0 N 4.870e+07 0.00e+00 a 0 28 30 >> 185 1.417 2.948 0 N 2.200e+07 0.00e+00 a 0 -1 -1 >> 186 1.355 2.892 0 N 1.012e+07 0.00e+00 a 0 -1 -1 >> 187 1.354 3.122 0 N 4.899e+06 0.00e+00 a 0 -1 -1 >> 188 1.353 2.951 0 N 9.017e+06 0.00e+00 a 0 53 55 >> 189 1.342 3.276 0 N 6.636e+06 0.00e+00 a 0 -1 -1 >> 190 1.235 3.318 0 N 5.759e+06 0.00e+00 a 0 -1 -1 >> 191 1.202 3.408 0 N 7.162e+06 0.00e+00 a 0 -1 -1 >> 192 2.298 4.214 0 N 7.137e+07 0.00e+00 a 0 79 75 >> 193 2.297 4.346 0 N 5.162e+07 0.00e+00 a 0 63 61 >> 194 2.088 4.221 0 N 7.774e+07 0.00e+00 a 0 76 75 >> 195 1.994 4.356 0 N 2.088e+07 0.00e+00 a 0 65 61 >> 196 1.971 4.221 0 N 1.226e+08 0.00e+00 a 0 77 75 >> 197 1.811 4.160 0 N 1.044e+08 0.00e+00 a 0 70 69 >> 198 1.769 4.238 0 N 2.940e+07 0.00e+00 a 0 52 39 >> 199 1.746 4.014 0 N 4.072e+07 0.00e+00 a 0 6 5 >> 200 1.695 4.271 0 N 3.595e+07 0.00e+00 a 0 51 50 >> 201 1.654 4.209 0 N 2.922e+07 0.00e+00 a 0 103 97 >> 202 1.606 4.275 0 N 6.569e+07 0.00e+00 a 0 20 18 >> 203 1.415 4.153 0 N 7.029e+07 0.00e+00 a 0 73 69 >> 204 1.380 3.970 0 N 7.791e+06 0.00e+00 a 0 -1 -1 >> 205 1.366 4.232 0 N 1.899e+08 0.00e+00 a 0 40 39 >> 206 0.901 4.166 0 N 1.252e+06 0.00e+00 a 0 -1 -1 >> 207 0.890 4.398 0 N 3.864e+06 0.00e+00 a 0 -1 -1 >> 208 0.843 4.105 0 N 2.126e+06 0.00e+00 a 0 -1 -1 >> 209 0.832 4.288 0 N 2.004e+07 0.00e+00 a 0 22 18 >> 210 0.771 4.017 0 N 1.894e+07 0.00e+00 a 0 10 5 >> 211 2.859 4.912 0 N 6.006e+06 0.00e+00 a 0 59 58 >> 212 2.663 4.913 0 N 1.477e+07 0.00e+00 a 0 60 58 >> 213 4.916 8.116 0 N 1.996e+07 0.00e+00 a 0 58 57 >> 214 4.612 7.825 0 N 1.135e+07 0.00e+00 a 0 12 17 >> 215 4.483 7.891 0 N 5.544e+07 0.00e+00 a 0 89 88 >> 216 4.481 7.803 0 N 5.860e+07 0.00e+00 a 0 89 96 >> 217 4.481 7.081 0 N 2.170e+07 0.00e+00 a 0 89 92 >> 218 4.351 8.095 0 N 4.602e+07 0.00e+00 a 0 61 68 >> 219 4.277 8.122 0 N 2.667e+08 0.00e+00 a 0 50 57 >> 220 4.230 7.939 0 N 8.538e+08 0.00e+00 a 0 83 82 >> 221 4.215 8.153 0 N 3.427e+07 0.00e+00 a 0 24 32 >> 222 4.217 7.075 0 N 4.506e+06 0.00e+00 a 0 -1 -1 >> 223 4.200 6.831 0 N 2.334e+07 0.00e+00 a 0 -1 -1 >> 224 4.154 8.094 0 N 5.940e+07 0.00e+00 a 0 69 68 >> 225 4.155 7.855 0 N 6.759e+07 0.00e+00 a 0 69 74 >> 226 4.013 8.215 0 N 8.943e+07 0.00e+00 a 0 5 11 >> 227 4.013 7.758 0 N 4.181e+07 0.00e+00 a 0 5 4 >> 228 4.009 7.939 0 N 2.711e+06 0.00e+00 a 0 5 23 >> 229 3.933 7.513 0 N 7.007e+06 0.00e+00 a 0 3 106 >> 230 3.918 8.004 0 N 4.034e+06 0.00e+00 a 0 3 1 >> 231 3.906 7.250 0 N 1.263e+07 0.00e+00 a 0 3 15 >> 232 3.886 7.865 0 N 1.465e+08 0.00e+00 a 0 34 35 >> 233 3.885 7.374 0 N 2.254e+07 0.00e+00 a 0 33 47 >> 234 3.886 7.320 0 N 2.319e+07 0.00e+00 a 0 -1 -1 >> 235 3.882 8.139 0 N 2.012e+08 0.00e+00 a 0 67 57 >> 236 3.881 7.827 0 N 8.133e+07 0.00e+00 a 0 3 17 >> 237 3.875 7.133 0 N 3.826e+07 0.00e+00 a 0 34 31 >> 238 3.873 6.798 0 N 1.611e+07 0.00e+00 a 0 66 93 >> 239 3.872 6.721 0 N 3.392e+07 0.00e+00 a 0 -1 -1 >> 240 3.840 7.699 0 N 1.867e+07 0.00e+00 a 0 -1 -1 >> 241 3.843 7.027 0 N 9.850e+07 0.00e+00 a 0 -1 -1 >> 242 3.841 6.857 0 N 1.986e+07 0.00e+00 a 0 -1 -1 >> 243 3.832 7.939 0 N 2.199e+06 0.00e+00 a 0 -1 -1 >> 244 3.766 8.014 0 N 3.538e+07 0.00e+00 a 0 2 1 >> 245 3.763 7.758 0 N 1.979e+07 0.00e+00 a 0 2 4 >> 246 3.329 6.773 0 N 3.781e+06 0.00e+00 a 0 -1 -1 >> 247 3.286 6.974 0 N 5.724e+06 0.00e+00 a 0 -1 -1 >> 248 3.273 7.605 0 N 2.675e+06 0.00e+00 a 0 -1 -1 >> 249 3.236 8.214 0 N 2.179e+07 0.00e+00 a 0 13 11 >> 250 3.237 7.834 0 N 1.013e+07 0.00e+00 a 0 13 17 >> 251 3.231 7.246 0 N 2.454e+06 0.00e+00 a 0 13 15 >> 252 3.149 7.836 0 N 1.034e+07 0.00e+00 a 0 14 17 >> 253 3.146 8.213 0 N 4.899e+07 0.00e+00 a 0 14 11 >> 254 3.147 7.232 0 N 6.675e+06 0.00e+00 a 0 14 15 >> 255 3.140 7.119 0 N 2.555e+07 0.00e+00 a 0 30 31 >> 256 3.082 8.066 0 N 2.421e+06 0.00e+00 a 0 -1 -1 >> 257 3.019 6.779 0 N 3.442e+06 0.00e+00 a 0 90 94 >> 258 3.017 7.899 0 N 5.031e+07 0.00e+00 a 0 90 88 >> 259 3.017 7.080 0 N 5.870e+07 0.00e+00 a 0 90 95 >> 260 2.970 7.387 0 N 3.345e+05 0.00e+00 a 0 56 47 >> 261 2.937 7.900 0 N 7.264e+07 0.00e+00 a 0 91 88 >> 262 2.937 7.081 0 N 4.600e+07 0.00e+00 a 0 105 92 >> 263 2.860 7.856 0 N 1.224e+07 0.00e+00 a 0 59 74 >> 264 2.858 8.118 0 N 8.307e+07 0.00e+00 a 0 59 57 >> 265 2.664 8.119 0 N 7.523e+07 0.00e+00 a 0 60 57 >> 266 2.332 7.369 0 N 1.508e+07 0.00e+00 a 0 45 47 >> 267 2.318 7.916 0 N 1.177e+08 0.00e+00 a 0 46 41 >> 268 2.302 8.112 0 N 1.935e+07 0.00e+00 a 0 62 68 >> 269 2.301 7.472 0 N 1.078e+07 0.00e+00 a 0 62 80 >> 270 2.084 7.919 0 N 1.002e+08 0.00e+00 a 0 43 41 >> 271 2.026 7.634 0 N 6.862e+06 0.00e+00 a 0 -1 -1 >> 272 2.011 8.023 0 N 6.770e+07 0.00e+00 a 0 -1 -1 >> 273 1.972 8.110 0 N 3.546e+07 0.00e+00 a 0 65 68 >> 274 1.966 7.916 0 N 1.509e+08 0.00e+00 a 0 44 41 >> 275 1.885 7.931 0 N 8.795e+07 0.00e+00 a 0 -1 -1 >> 276 1.810 8.097 0 N 1.137e+08 0.00e+00 a 0 70 68 >> 277 1.810 7.858 0 N 5.391e+07 0.00e+00 a 0 25 35 >> 278 1.764 7.941 0 N 9.924e+07 0.00e+00 a 0 -1 -1 >> 279 1.744 7.755 0 N 7.437e+07 0.00e+00 a 0 6 4 >> 280 1.697 7.968 0 N 8.284e+07 0.00e+00 a 0 51 49 >> 281 1.692 8.113 0 N 8.936e+06 0.00e+00 a 0 71 68 >> 282 1.611 7.825 0 N 1.066e+08 0.00e+00 a 0 103 96 >> 283 1.555 7.829 0 N 5.058e+07 0.00e+00 a 0 19 17 >> 284 1.438 8.097 0 N 4.691e+07 0.00e+00 a 0 73 68 >> 285 1.600 7.936 0 N 6.659e+07 0.00e+00 a 0 28 23 >> 286 1.389 7.366 0 N 1.057e+06 0.00e+00 a 0 37 47 >> 287 1.382 7.063 0 N 7.551e+06 0.00e+00 a 0 -1 -1 >> 288 1.370 7.875 0 N 1.349e+08 0.00e+00 a 0 37 35 >> 289 1.365 7.967 0 N 3.173e+08 0.00e+00 a 0 40 38 >> 290 1.351 7.214 0 N 2.020e+06 0.00e+00 a 0 -1 -1 >> 291 1.280 7.753 0 N 1.153e+07 0.00e+00 a 0 8 4 >> 292 1.230 6.880 0 N 5.012e+06 0.00e+00 a 0 -1 -1 >> 293 1.199 6.727 0 N 4.306e+06 0.00e+00 a 0 -1 -1 >> 294 1.191 8.275 0 N 7.697e+06 0.00e+00 a 0 -1 -1 >> 295 1.090 7.756 0 N 2.494e+07 0.00e+00 a 0 7 4 >> 296 0.902 8.039 0 N 1.780e+06 0.00e+00 a 0 21 1 >> 297 0.835 7.849 0 N 1.569e+06 0.00e+00 a 0 22 17 >> 298 0.829 7.934 0 N 2.476e+06 0.00e+00 a 0 22 23 >> 299 0.763 8.214 0 N 1.445e+07 0.00e+00 a 0 9 11 >> 300 0.762 7.762 0 N 2.860e+07 0.00e+00 a 0 9 4 >> 301 0.754 7.520 0 N 3.902e+06 0.00e+00 a 0 -1 -1 >> 302 0.754 7.196 0 N 5.526e+06 0.00e+00 a 0 -1 -1 >> 303 0.749 7.011 0 N 2.721e+06 0.00e+00 a 0 -1 -1 >> 304 8.093 4.358 0 N 2.228e+07 0.00e+00 a 0 68 61 >> 305 8.154 4.200 0 N 1.662e+07 0.00e+00 a 0 32 24 >> 306 8.097 4.155 0 N 6.454e+07 0.00e+00 a 0 68 69 >> 307 7.240 3.245 0 N 9.555e+06 0.00e+00 a 0 15 13 >> 308 7.080 3.033 0 N 8.965e+07 0.00e+00 a 0 95 90 >> 309 8.216 7.743 0 N 3.473e+07 0.00e+00 a 0 11 4 >> 310 7.974 1.651 0 N 5.969e+07 0.00e+00 a 0 49 51 >> 311 7.901 3.024 0 N 2.998e+07 0.00e+00 a 0 88 90 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 2 H 1 2k . 10000 . . 20111 2 >> >> stop_ >> >> loop_ >> _Spectral_peak_software.Software_ID >> _Spectral_peak_software.Software_label >> _Spectral_peak_software.Method_ID >> _Spectral_peak_software.Method_label >> _Spectral_peak_software.Entry_ID >> _Spectral_peak_software.Spectral_peak_list_ID >> >> 2 $NMRView . . 20111 2 >> >> stop_ >> >>save_ >> ; save_