data_34406 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of the peptide 12530 from medicinal leech Hirudo medicinalis in dodecylphosphocholine micelles ; _BMRB_accession_number 34406 _BMRB_flat_file_name bmr34406.str _Entry_type original _Submission_date 2019-05-21 _Accession_date 2019-05-21 _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 Talyzina I. A. . 2 Nadezhdin K. D. . 3 Grafskaia E. N. . 4 Arseniev A. S. . 5 Lazarev V. N. . 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" 93 "13C chemical shifts" 50 "15N chemical shifts" 11 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-10-22 original BMRB . stop_ _Original_release_date 2019-10-11 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Medicinal leech antimicrobial peptides lacking toxicity represent a promising alternative strategy to combat antibiotic-resistant pathogens. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31302447 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Grafskaia E. N. . 2 Nadezhdin K. D. . 3 Talyzina I. A. . 4 Polina N. F. . 5 Podgorny O. V. . 6 Pavlova E. R. . 7 Bashkirov P. V. . 8 Kharlampieva D. D. . 9 Bobrovsky P. A. . 10 Latsis I. A. . 11 Manuvera V. A. . 12 Babenko V. V. . 13 Trukhan V. M. . 14 Arseniev A. S. . 15 Klinov D. V. . 16 Lazarev V. N. . stop_ _Journal_abbreviation 'Eur. J. Med. Chem.' _Journal_volume 180 _Journal_issue . _Journal_ASTM EJMCA5 _Journal_ISSN 0223-5234 _Journal_CSD 0493 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 143 _Page_last 153 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'peptide 3967' _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 1427.816 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 11 _Mol_residue_sequence ; KFKKVIWKSFL ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 PHE 3 LYS 4 LYS 5 VAL 6 ILE 7 TRP 8 LYS 9 SER 10 PHE 11 LEU 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 'medicinal leech' 6421 Eukaryota Metazoa Hirudo medicinalis 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 micelle _Details '1 mM peptide 12530, 100 mM dodecylphosphocholine, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM 'natural abundance' dodecylphosphocholine 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version 3.98.5 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TopSpin _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name PSVS _Version . loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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 4 0.1 pH pressure 1 . atm temperature 303 . 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 TMS C 13 'methyl carbons' ppm 0 external direct . . . 1.0 water H 1 protons ppm 4.7 internal direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' 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 LYS HA H 4.023 0.020 1 2 1 1 LYS HB2 H 1.882 0.020 1 3 1 1 LYS HB3 H 1.882 0.020 1 4 1 1 LYS HG2 H 1.415 0.020 1 5 1 1 LYS HG3 H 1.415 0.020 1 6 1 1 LYS HD2 H 1.728 0.020 1 7 1 1 LYS HD3 H 1.728 0.020 1 8 1 1 LYS HE2 H 3.022 0.020 1 9 1 1 LYS HE3 H 3.022 0.020 1 10 1 1 LYS CA C 55.497 0.3 1 11 1 1 LYS CB C 32.361 0.3 1 12 2 2 PHE H H 9.026 0.020 1 13 2 2 PHE HA H 4.639 0.020 1 14 2 2 PHE HB2 H 3.119 0.020 2 15 2 2 PHE HB3 H 3.155 0.020 2 16 2 2 PHE HD1 H 7.324 0.020 1 17 2 2 PHE HD2 H 7.324 0.020 1 18 2 2 PHE HE1 H 7.289 0.020 1 19 2 2 PHE HE2 H 7.289 0.020 1 20 2 2 PHE HZ H 7.211 0.020 1 21 2 2 PHE CA C 58.903 0.3 1 22 2 2 PHE CB C 39.580 0.3 1 23 2 2 PHE CD1 C 131.527 0.3 1 24 2 2 PHE CE1 C 130.754 0.3 1 25 2 2 PHE CZ C 129.091 0.3 1 26 2 2 PHE N N 123.415 0.3 1 27 3 3 LYS H H 8.358 0.020 1 28 3 3 LYS HA H 4.240 0.020 1 29 3 3 LYS HB2 H 1.792 0.020 2 30 3 3 LYS HB3 H 1.739 0.020 2 31 3 3 LYS HG2 H 1.363 0.020 2 32 3 3 LYS HG3 H 1.431 0.020 2 33 3 3 LYS HD2 H 1.727 0.020 1 34 3 3 LYS HD3 H 1.727 0.020 1 35 3 3 LYS HE2 H 3.161 0.020 1 36 3 3 LYS HE3 H 3.161 0.020 1 37 3 3 LYS HZ H 7.701 0.020 1 38 3 3 LYS CA C 56.457 0.3 1 39 3 3 LYS CB C 32.724 0.3 1 40 3 3 LYS CG C 23.780 0.3 1 41 3 3 LYS CD C 28.990 0.3 1 42 3 3 LYS CE C 41.807 0.3 1 43 3 3 LYS N N 123.503 0.3 1 44 4 4 LYS H H 8.097 0.020 1 45 4 4 LYS HA H 4.175 0.020 1 46 4 4 LYS HB2 H 1.787 0.020 1 47 4 4 LYS HB3 H 1.787 0.020 1 48 4 4 LYS HG2 H 1.374 0.020 2 49 4 4 LYS HG3 H 1.448 0.020 2 50 4 4 LYS HD2 H 1.714 0.020 1 51 4 4 LYS HD3 H 1.714 0.020 1 52 4 4 LYS HE2 H 2.989 0.020 1 53 4 4 LYS HE3 H 2.989 0.020 1 54 4 4 LYS HZ H 7.685 0.020 1 55 4 4 LYS CA C 56.844 0.3 1 56 4 4 LYS CB C 33.177 0.3 1 57 4 4 LYS CG C 24.734 0.3 1 58 4 4 LYS CD C 29.029 0.3 1 59 4 4 LYS CE C 41.812 0.3 1 60 4 4 LYS N N 121.117 0.3 1 61 5 5 VAL H H 8.033 0.020 1 62 5 5 VAL HA H 3.960 0.020 1 63 5 5 VAL HB H 1.876 0.020 1 64 5 5 VAL HG1 H 0.863 0.020 2 65 5 5 VAL HG2 H 0.637 0.020 2 66 5 5 VAL CA C 62.453 0.3 1 67 5 5 VAL CB C 33.007 0.3 1 68 5 5 VAL CG1 C 20.741 0.3 1 69 5 5 VAL CG2 C 20.817 0.3 1 70 5 5 VAL N N 120.607 0.3 1 71 6 6 ILE H H 8.170 0.020 1 72 6 6 ILE HA H 4.152 0.020 1 73 6 6 ILE HB H 1.938 0.020 1 74 6 6 ILE HG12 H 1.454 0.020 2 75 6 6 ILE HG13 H 1.189 0.020 2 76 6 6 ILE HG2 H 0.873 0.020 1 77 6 6 ILE HD1 H 0.838 0.020 1 78 6 6 ILE CA C 61.123 0.3 1 79 6 6 ILE CB C 37.469 0.3 1 80 6 6 ILE CG1 C 27.143 0.3 1 81 6 6 ILE CG2 C 17.614 0.3 1 82 6 6 ILE CD1 C 12.546 0.3 1 83 6 6 ILE N N 123.761 0.3 1 84 7 7 TRP H H 7.947 0.020 1 85 7 7 TRP HA H 4.454 0.020 1 86 7 7 TRP HB2 H 3.305 0.020 1 87 7 7 TRP HB3 H 3.305 0.020 1 88 7 7 TRP HD1 H 7.366 0.020 1 89 7 7 TRP HE1 H 10.610 0.020 1 90 7 7 TRP HE3 H 7.517 0.020 1 91 7 7 TRP HZ2 H 7.485 0.020 1 92 7 7 TRP HZ3 H 6.981 0.020 1 93 7 7 TRP HH2 H 7.136 0.020 1 94 7 7 TRP CA C 58.826 0.3 1 95 7 7 TRP CB C 29.256 0.3 1 96 7 7 TRP CD1 C 127.048 0.3 1 97 7 7 TRP CE3 C 120.072 0.3 1 98 7 7 TRP CZ2 C 114.336 0.3 1 99 7 7 TRP CZ3 C 121.184 0.3 1 100 7 7 TRP CH2 C 123.728 0.3 1 101 7 7 TRP N N 123.696 0.3 1 102 7 7 TRP NE1 N 130.513 0.3 1 103 8 8 LYS H H 7.989 0.020 1 104 8 8 LYS HA H 4.017 0.020 1 105 8 8 LYS HB2 H 1.749 0.020 1 106 8 8 LYS HB3 H 1.749 0.020 1 107 8 8 LYS HG2 H 1.198 0.020 1 108 8 8 LYS HG3 H 1.198 0.020 1 109 8 8 LYS HD2 H 1.667 0.020 1 110 8 8 LYS HD3 H 1.667 0.020 1 111 8 8 LYS HE2 H 2.922 0.020 1 112 8 8 LYS HE3 H 2.922 0.020 1 113 8 8 LYS HZ H 7.687 0.020 1 114 8 8 LYS CA C 58.089 0.3 1 115 8 8 LYS CB C 32.266 0.3 1 116 8 8 LYS CG C 24.729 0.3 1 117 8 8 LYS CD C 29.005 0.3 1 118 8 8 LYS CE C 41.818 0.3 1 119 8 8 LYS N N 118.542 0.3 1 120 9 9 SER H H 7.915 0.020 1 121 9 9 SER HA H 4.266 0.020 1 122 9 9 SER HB2 H 3.812 0.020 1 123 9 9 SER HB3 H 3.812 0.020 1 124 9 9 SER CA C 59.989 0.3 1 125 9 9 SER CB C 63.053 0.3 1 126 9 9 SER N N 114.268 0.3 1 127 10 10 PHE H H 7.825 0.020 1 128 10 10 PHE HA H 4.530 0.020 1 129 10 10 PHE HB2 H 3.154 0.020 1 130 10 10 PHE HB3 H 3.154 0.020 1 131 10 10 PHE HD1 H 7.349 0.020 1 132 10 10 PHE HD2 H 7.349 0.020 1 133 10 10 PHE HE1 H 7.347 0.020 1 134 10 10 PHE HE2 H 7.347 0.020 1 135 10 10 PHE HZ H 7.246 0.020 1 136 10 10 PHE CA C 58.856 0.3 1 137 10 10 PHE CB C 39.571 0.3 1 138 10 10 PHE CD1 C 131.633 0.3 1 139 10 10 PHE CE1 C 130.939 0.3 1 140 10 10 PHE CZ C 129.173 0.3 1 141 10 10 PHE N N 119.674 0.3 1 142 11 11 LEU H H 7.672 0.020 1 143 11 11 LEU HA H 4.282 0.020 1 144 11 11 LEU HB2 H 1.718 0.020 2 145 11 11 LEU HB3 H 1.682 0.020 2 146 11 11 LEU HG H 1.642 0.020 1 147 11 11 LEU HD1 H 0.963 0.020 2 148 11 11 LEU HD2 H 0.916 0.020 2 149 11 11 LEU CA C 54.643 0.3 1 150 11 11 LEU CB C 42.386 0.3 1 151 11 11 LEU CG C 26.965 0.3 1 152 11 11 LEU CD1 C 25.511 0.3 1 153 11 11 LEU CD2 C 25.504 0.3 1 154 11 11 LEU N N 117.985 0.3 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 34406 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 1 >> _Spectral_peak_list.Experiment_name '2D 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 >>#INAME 1 H1 >>#INAME 2 H1 >> 1 1.882 1.882 0 U 4.742e+05 0.00e+00 - 0 123 123 0 >># HB/HB K1 >> 2 1.882 9.026 0 U 2.669e+02 0.00e+00 - 0 123 21 0 >># HB K1/H F2 >> 3 1.882 4.023 0 U 3.819e+03 0.00e+00 - 0 123 122 0 >># HB/HA K1 >> 4 1.882 1.415 0 U -2.797e+04 0.00e+00 - 0 123 126 0 >># HB/HG K1 >> 5 1.882 1.728 0 U 5.359e+03 0.00e+00 - 0 123 125 0 >># HB/HD K1 >> 6 1.882 3.022 0 U 2.164e+02 0.00e+00 - 0 123 124 0 >># HB/HE K1 >> 7 0.873 0.873 0 U 2.276e+06 0.00e+00 - 0 150 150 0 >># HG2/HG2 I6 >> 8 0.873 7.915 0 U 3.120e+03 0.00e+00 - 0 150 19 0 >># HG2 I6/H S9 >> 9 0.873 1.189 0 U 1.221e+04 0.00e+00 - 0 150 155 0 >># HG2/HG13 I6 >> 10 0.873 8.170 0 U 3.353e+03 0.00e+00 - 0 150 3 0 >># HG2/H I6 >> 11 0.873 1.454 0 U 8.805e+03 0.00e+00 - 0 150 153 0 >># HG2/HG12 I6 >> 12 0.873 4.152 0 U 1.163e+04 0.00e+00 - 0 150 38 0 >># HG2/HA I6 >> 13 0.873 1.938 0 U 1.727e+04 0.00e+00 - 0 150 103 0 >># HG2/HB I6 >> 14 0.873 0.838 0 U -1.341e+06 0.00e+00 - 0 150 151 0 >># HG2/HD1 I6 >> 15 0.873 7.947 0 U 2.597e+03 0.00e+00 - 0 150 5 0 >># HG2 I6/H W7 >> 16 7.915 0.873 0 U 5.088e+03 0.00e+00 - 0 19 150 0 >># H S9/HG2 I6 >> 17 7.915 7.915 0 U 3.157e+05 0.00e+00 - 0 19 19 0 >># H/H S9 >> 18 7.915 1.667 0 U 2.692e+03 0.00e+00 - 0 19 78 0 >># H S9/HD K8 >> 19 7.915 7.825 0 U 1.103e+04 0.00e+00 - 0 19 13 0 >># H S9/H F10 >> 20 7.915 1.749 0 U 2.983e+03 0.00e+00 - 0 19 77 0 >># H S9/HB K8 >> 21 7.915 3.812 0 U 7.853e+03 0.00e+00 - 0 19 31 0 >># H/HB S9 >> 22 7.915 4.017 0 U 6.596e+03 0.00e+00 - 0 19 74 0 >># H S9/HA K8 >> 23 7.915 4.266 0 U 7.992e+03 0.00e+00 - 0 19 30 0 >># H/HA S9 >> 24 7.915 1.198 0 U 1.760e+03 0.00e+00 - 0 19 80 0 >># H S9/HG K8 >> 25 7.246 7.246 0 U 1.068e+06 0.00e+00 - 0 128 128 0 >># HZ/HZ F10 >> 26 7.246 7.825 0 U 5.269e+02 0.00e+00 - 0 128 13 0 >># HZ/H F10 >> 27 7.246 7.349 0 U 4.029e+04 0.00e+00 - 0 128 132 0 >># HZ/HD F10 >> 28 7.246 3.154 0 U 1.270e+03 0.00e+00 - 0 128 28 0 >># HZ/HB F10 >> 29 7.246 7.347 0 U -2.468e+04 0.00e+00 - 0 128 130 0 >># HZ/HE F10 >> 30 7.246 4.530 0 U 1.103e+03 0.00e+00 - 0 128 26 0 >># HZ/HA F10 >> 31 0.863 0.863 0 U 1.806e+06 0.00e+00 - 0 69 69 0 >># HG1/HG1 V5 >> 32 0.863 8.033 0 U 1.005e+04 0.00e+00 - 0 69 9 0 >># HG1/H V5 >> 33 0.863 1.876 0 U 1.743e+04 0.00e+00 - 0 69 68 0 >># HG1/HB V5 >> 34 0.863 8.170 0 U 9.553e+02 0.00e+00 - 0 69 3 0 >># HG1 V5/H I6 >> 35 0.863 3.960 0 U 1.011e+04 0.00e+00 - 0 69 67 0 >># HG1/HA V5 >> 36 0.863 0.637 0 U 2.586e+04 0.00e+00 - 0 69 70 0 >># HG1/HG2 V5 >> 37 1.667 7.915 0 U 1.229e+03 0.00e+00 - 0 78 19 0 >># HD K8/H S9 >> 38 1.667 1.667 0 U 3.146e+05 0.00e+00 - 0 78 78 0 >># HD/HD K8 >> 39 1.667 1.749 0 U 1.184e+05 0.00e+00 - 0 78 77 0 >># HD/HB K8 >> 40 1.667 2.922 0 U 2.044e+03 0.00e+00 - 0 78 75 0 >># HD/HE K8 >> 41 1.667 4.017 0 U 9.274e+03 0.00e+00 - 0 78 74 0 >># HD/HA K8 >> 42 1.667 7.687 0 U 1.050e+03 0.00e+00 - 0 78 157 0 >># HD/HZ K8 >> 43 1.667 7.989 0 U 4.597e+03 0.00e+00 - 0 78 15 0 >># HD/H K8 >> 44 1.667 1.198 0 U -1.898e+03 0.00e+00 - 0 78 80 0 >># HD/HG K8 >> 45 1.189 0.873 0 U 3.921e+03 0.00e+00 - 0 155 150 0 >># HG13/HG2 I6 >> 46 1.189 1.189 0 U -5.310e+05 0.00e+00 - 0 155 155 0 >># HG13/HG13 I6 >> 47 1.189 8.170 0 U 2.548e+03 0.00e+00 - 0 155 3 0 >># HG13/H I6 >> 48 1.189 1.454 0 U 3.616e+04 0.00e+00 - 0 155 153 0 >># HG13/HG12 I6 >> 49 1.189 4.152 0 U 2.253e+03 0.00e+00 - 0 155 38 0 >># HG13/HA I6 >> 50 1.189 1.938 0 U 4.950e+03 0.00e+00 - 0 155 103 0 >># HG13/HB I6 >> 51 1.189 0.838 0 U 3.694e+03 0.00e+00 - 0 155 151 0 >># HG13/HD1 I6 >> 52 1.431 1.431 0 U 5.188e+05 0.00e+00 - 0 45 45 0 >># HG3/HG3 K3 >> 53 1.431 1.363 0 U 2.415e+04 0.00e+00 - 0 45 44 0 >># HG3/HG2 K3 >> 54 1.431 4.240 0 U 1.586e+03 0.00e+00 - 0 45 41 0 >># HG3/HA K3 >> 55 1.431 1.727 0 U 3.330e+04 0.00e+00 - 0 45 43 0 >># HG3/HD K3 >> 56 1.431 7.701 0 U 4.120e+01 0.00e+00 - 0 45 158 0 >># HG3/HZ K3 >> 57 1.431 3.161 0 U 1.990e+02 0.00e+00 - 0 45 42 0 >># HG3/HE K3 >> 58 1.431 1.739 0 U -2.923e+04 0.00e+00 - 0 45 47 0 >># HG3/HB3 K3 >> 59 1.431 8.358 0 U 1.497e+03 0.00e+00 - 0 45 1 0 >># HG3/H K3 >> 60 1.431 1.792 0 U 3.931e+03 0.00e+00 - 0 45 46 0 >># HG3/HB2 K3 >> 61 9.026 1.882 0 U 1.944e+03 0.00e+00 - 0 21 123 0 >># H F2/HB K1 >> 62 9.026 9.026 0 U 1.817e+04 0.00e+00 - 0 21 21 0 >># H/H F2 >> 63 9.026 4.023 0 U 6.010e+03 0.00e+00 - 0 21 122 0 >># H F2/HA K1 >> 64 9.026 7.211 0 U 1.471e+01 0.00e+00 - 0 21 139 0 >># H/HZ F2 >> 65 9.026 3.155 0 U 1.079e+03 0.00e+00 - 0 21 84 0 >># H/HB3 F2 >> 66 9.026 3.119 0 U 3.138e+03 0.00e+00 - 0 21 83 0 >># H/HB2 F2 >> 67 9.026 7.324 0 U 7.817e+02 0.00e+00 - 0 21 137 0 >># H/HD F2 >> 68 9.026 4.639 0 U 2.001e+03 0.00e+00 - 0 21 82 0 >># H/HA F2 >> 69 9.026 7.289 0 U -2.176e+02 0.00e+00 - 0 21 136 0 >># H/HE F2 >> 70 0.963 0.963 0 U 2.265e+06 0.00e+00 - 0 85 85 0 >># HD1/HD1 L11 >> 71 0.963 4.282 0 U 1.330e+03 0.00e+00 - 0 85 33 0 >># HD1/HA L11 >> 72 0.963 7.672 0 U 1.018e+03 0.00e+00 - 0 85 17 0 >># HD1/H L11 >> 73 0.963 1.718 0 U 5.408e+03 0.00e+00 - 0 85 37 0 >># HD1/HB2 L11 >> 74 0.963 1.682 0 U 1.163e+04 0.00e+00 - 0 85 156 0 >># HD1/HB3 L11 >> 75 0.963 0.916 0 U -3.962e+05 0.00e+00 - 0 85 86 0 >># HD1/HD2 L11 >> 76 0.963 1.642 0 U 4.239e+03 0.00e+00 - 0 85 35 0 >># HD1/HG L11 >> 77 1.374 1.374 0 U 3.228e+05 0.00e+00 - 0 52 52 0 >># HG2/HG2 K4 >> 78 1.374 8.033 0 U 4.176e+02 0.00e+00 - 0 52 9 0 >># HG2 K4/H V5 >> 79 1.374 1.448 0 U 6.054e+04 0.00e+00 - 0 52 73 0 >># HG2/HG3 K4 >> 80 1.374 7.685 0 U -8.121e+01 0.00e+00 - 0 52 159 0 >># HG2/HZ K4 >> 81 1.374 1.787 0 U 2.183e+02 0.00e+00 - 0 52 49 0 >># HG2/HB K4 >> 82 1.374 1.714 0 U 6.569e+03 0.00e+00 - 0 52 72 0 >># HG2/HD K4 >> 83 1.374 4.175 0 U 1.478e+03 0.00e+00 - 0 52 48 0 >># HG2/HA K4 >> 84 1.374 8.097 0 U 1.194e+03 0.00e+00 - 0 52 7 0 >># HG2/H K4 >> 85 1.374 2.989 0 U 2.246e+03 0.00e+00 - 0 52 71 0 >># HG2/HE K4 >> 86 4.282 0.963 0 U 1.426e+01 0.00e+00 - 0 33 85 0 >># HA/HD1 L11 >> 87 4.282 4.282 0 U 3.529e+04 0.00e+00 - 0 33 33 0 >># HA/HA L11 >> 88 4.282 7.672 0 U 4.787e+02 0.00e+00 - 0 33 17 0 >># HA/H L11 >> 89 4.282 7.136 0 U 1.814e+02 0.00e+00 - 0 33 147 0 >># HA L11/HH2 W7 >> 90 4.282 1.718 0 U 1.667e+03 0.00e+00 - 0 33 37 0 >># HA/HB2 L11 >> 91 4.282 1.682 0 U -3.677e+02 0.00e+00 - 0 33 156 0 >># HA/HB3 L11 >> 92 4.282 0.916 0 U 7.115e+02 0.00e+00 - 0 33 86 0 >># HA/HD2 L11 >> 93 4.282 1.642 0 U 5.262e+02 0.00e+00 - 0 33 35 0 >># HA/HG L11 >> 94 8.033 0.863 0 U 1.066e+04 0.00e+00 - 0 9 69 0 >># H/HG1 V5 >> 95 8.033 1.374 0 U 9.742e+02 0.00e+00 - 0 9 52 0 >># H V5/HG2 K4 >> 96 8.033 8.033 0 U 2.885e+05 0.00e+00 - 0 9 9 0 >># H/H V5 >> 97 8.033 1.876 0 U 1.008e+04 0.00e+00 - 0 9 68 0 >># H/HB V5 >> 98 8.033 1.448 0 U 1.330e+03 0.00e+00 - 0 9 73 0 >># H V5/HG3 K4 >> 99 8.033 1.787 0 U 3.688e+03 0.00e+00 - 0 9 49 0 >># H V5/HB K4 >> 100 8.033 3.960 0 U 5.803e+03 0.00e+00 - 0 9 67 0 >># H/HA V5 >> 101 8.033 4.175 0 U 1.952e+04 0.00e+00 - 0 9 48 0 >># H V5/HA K4 >> 102 8.033 0.637 0 U 3.575e+03 0.00e+00 - 0 9 70 0 >># H/HG2 V5 >> 103 7.825 7.915 0 U 1.027e+04 0.00e+00 - 0 13 19 0 >># H F10/H S9 >> 104 7.825 7.246 0 U 3.728e+02 0.00e+00 - 0 13 128 0 >># H/HZ F10 >> 105 7.825 7.825 0 U 2.961e+05 0.00e+00 - 0 13 13 0 >># H/H F10 >> 106 7.825 7.349 0 U 1.724e+02 0.00e+00 - 0 13 132 0 >># H/HD F10 >> 107 7.825 7.672 0 U 9.863e+03 0.00e+00 - 0 13 17 0 >># H F10/H L11 >> 108 7.825 3.812 0 U 2.991e+03 0.00e+00 - 0 13 31 0 >># H F10/HB S9 >> 109 7.825 3.154 0 U 1.232e+04 0.00e+00 - 0 13 28 0 >># H/HB F10 >> 110 7.825 7.347 0 U 1.492e+02 0.00e+00 - 0 13 130 0 >># H/HE F10 >> 111 7.825 4.266 0 U 6.367e+03 0.00e+00 - 0 13 30 0 >># H F10/HA S9 >> 112 7.825 4.530 0 U 7.057e+03 0.00e+00 - 0 13 26 0 >># H/HA F10 >> 113 4.023 1.882 0 U -1.227e+03 0.00e+00 - 0 122 123 0 >># HA/HB K1 >> 114 4.023 9.026 0 U 5.882e+02 0.00e+00 - 0 122 21 0 >># HA K1/H F2 >> 115 4.023 4.023 0 U 1.640e+05 0.00e+00 - 0 122 122 0 >># HA/HA K1 >> 116 4.023 1.415 0 U 8.774e+02 0.00e+00 - 0 122 126 0 >># HA/HG K1 >> 117 4.023 1.728 0 U 6.551e+02 0.00e+00 - 0 122 125 0 >># HA/HD K1 >> 118 4.023 3.022 0 U -3.817e+01 0.00e+00 - 0 122 124 0 >># HA/HE K1 >> 119 7.211 9.026 0 U -5.313e+01 0.00e+00 - 0 139 21 0 >># HZ/H F2 >> 120 7.211 7.211 0 U 1.461e+05 0.00e+00 - 0 139 139 0 >># HZ/HZ F2 >> 121 7.211 3.155 0 U -1.307e+02 0.00e+00 - 0 139 84 0 >># HZ/HB3 F2 >> 122 7.211 3.119 0 U 8.314e+01 0.00e+00 - 0 139 83 0 >># HZ/HB2 F2 >> 123 7.211 7.324 0 U -1.898e+04 0.00e+00 - 0 139 137 0 >># HZ/HD F2 >> 124 7.211 4.639 0 U 1.489e+01 0.00e+00 - 0 139 82 0 >># HZ/HA F2 >> 125 7.211 7.289 0 U 1.211e+04 0.00e+00 - 0 139 136 0 >># HZ/HE F2 >> 126 6.981 6.981 0 U 7.393e+04 0.00e+00 - 0 149 149 0 >># HZ3/HZ3 W7 >> 127 6.981 7.517 0 U -3.124e+03 0.00e+00 - 0 149 143 0 >># HZ3/HE3 W7 >> 128 6.981 3.305 0 U 9.312e+01 0.00e+00 - 0 149 32 0 >># HZ3/HB W7 >> 129 6.981 7.136 0 U 3.645e+03 0.00e+00 - 0 149 147 0 >># HZ3/HH2 W7 >> 130 6.981 7.485 0 U 8.965e+03 0.00e+00 - 0 149 141 0 >># HZ3/HZ2 W7 >> 131 6.981 10.610 0 U 0.000e+00 0.00e+00 - 0 149 23 0 >># HZ3/HE1 W7 >> 132 6.981 4.454 0 U 2.038e+02 0.00e+00 - 0 149 29 0 >># HZ3/HA W7 >> 133 6.981 7.366 0 U -6.512e+01 0.00e+00 - 0 149 145 0 >># HZ3/HD1 W7 >> 134 6.981 7.947 0 U -1.078e+02 0.00e+00 - 0 149 5 0 >># HZ3/H W7 >> 135 1.876 0.863 0 U 1.005e+04 0.00e+00 - 0 68 69 0 >># HB/HG1 V5 >> 136 1.876 8.033 0 U 6.566e+03 0.00e+00 - 0 68 9 0 >># HB/H V5 >> 137 1.876 1.876 0 U 4.048e+05 0.00e+00 - 0 68 68 0 >># HB/HB V5 >> 138 1.876 8.170 0 U 1.882e+03 0.00e+00 - 0 68 3 0 >># HB V5/H I6 >> 139 1.876 3.960 0 U 3.919e+03 0.00e+00 - 0 68 67 0 >># HB/HA V5 >> 140 1.876 0.637 0 U 2.844e+03 0.00e+00 - 0 68 70 0 >># HB/HG2 V5 >> 141 1.749 7.915 0 U 1.582e+03 0.00e+00 - 0 77 19 0 >># HB K8/H S9 >> 142 1.749 1.667 0 U 1.716e+05 0.00e+00 - 0 77 78 0 >># HB/HD K8 >> 143 1.749 1.749 0 U 2.412e+06 0.00e+00 - 0 77 77 0 >># HB/HB K8 >> 144 1.749 2.922 0 U 7.892e+02 0.00e+00 - 0 77 75 0 >># HB/HE K8 >> 145 1.749 4.017 0 U 5.112e+03 0.00e+00 - 0 77 74 0 >># HB/HA K8 >> 146 1.749 7.687 0 U 1.722e+03 0.00e+00 - 0 77 157 0 >># HB/HZ K8 >> 147 1.749 7.989 0 U 3.369e+03 0.00e+00 - 0 77 15 0 >># HB/H K8 >> 148 1.749 1.198 0 U -2.865e+03 0.00e+00 - 0 77 80 0 >># HB/HG K8 >> 149 1.363 1.431 0 U 4.381e+04 0.00e+00 - 0 44 45 0 >># HG2/HG3 K3 >> 150 1.363 1.363 0 U 2.478e+05 0.00e+00 - 0 44 44 0 >># HG2/HG2 K3 >> 151 1.363 4.240 0 U 1.581e+03 0.00e+00 - 0 44 41 0 >># HG2/HA K3 >> 152 1.363 1.727 0 U -2.029e+03 0.00e+00 - 0 44 43 0 >># HG2/HD K3 >> 153 1.363 7.701 0 U 5.235e+01 0.00e+00 - 0 44 158 0 >># HG2/HZ K3 >> 154 1.363 3.161 0 U -9.299e+01 0.00e+00 - 0 44 42 0 >># HG2/HE K3 >> 155 1.363 1.739 0 U -3.686e+03 0.00e+00 - 0 44 47 0 >># HG2/HB3 K3 >> 156 1.363 8.358 0 U 9.592e+02 0.00e+00 - 0 44 1 0 >># HG2/H K3 >> 157 1.363 1.792 0 U 1.526e+03 0.00e+00 - 0 44 46 0 >># HG2/HB2 K3 >> 158 8.170 0.873 0 U -2.235e+03 0.00e+00 - 0 3 150 0 >># H/HG2 I6 >> 159 8.170 0.863 0 U 8.518e+03 0.00e+00 - 0 3 69 0 >># H I6/HG1 V5 >> 160 8.170 1.189 0 U 4.212e+03 0.00e+00 - 0 3 155 0 >># H/HG13 I6 >> 161 8.170 1.876 0 U 2.047e+03 0.00e+00 - 0 3 68 0 >># H I6/HB V5 >> 162 8.170 8.170 0 U 2.114e+05 0.00e+00 - 0 3 3 0 >># H/H I6 >> 163 8.170 3.960 0 U 1.852e+04 0.00e+00 - 0 3 67 0 >># H I6/HA V5 >> 164 8.170 1.454 0 U 4.249e+03 0.00e+00 - 0 3 153 0 >># H/HG12 I6 >> 165 8.170 4.152 0 U 4.974e+03 0.00e+00 - 0 3 38 0 >># H/HA I6 >> 166 8.170 1.938 0 U 8.602e+03 0.00e+00 - 0 3 103 0 >># H/HB I6 >> 167 8.170 0.838 0 U -2.586e+03 0.00e+00 - 0 3 151 0 >># H/HD1 I6 >> 168 8.170 0.637 0 U 4.319e+03 0.00e+00 - 0 3 70 0 >># H I6/HG2 V5 >> 169 8.170 7.947 0 U 4.245e+03 0.00e+00 - 0 3 5 0 >># H I6/H W7 >> 170 7.349 7.246 0 U -3.068e+05 0.00e+00 - 0 132 128 0 >># HD/HZ F10 >> 171 7.349 7.825 0 U -4.802e+02 0.00e+00 - 0 132 13 0 >># HD/H F10 >> 172 7.349 7.349 0 U -4.161e+07 0.00e+00 - 0 132 132 0 >># HD/HD F10 >> 173 7.349 3.154 0 U 4.778e+03 0.00e+00 - 0 132 28 0 >># HD/HB F10 >> 174 7.349 7.347 0 U 4.018e+07 0.00e+00 - 0 132 130 0 >># HD/HE F10 >> 175 7.349 4.530 0 U -2.887e+03 0.00e+00 - 0 132 26 0 >># HD/HA F10 >> 176 1.448 1.374 0 U 5.360e+04 0.00e+00 - 0 73 52 0 >># HG3/HG2 K4 >> 177 1.448 8.033 0 U 6.087e+02 0.00e+00 - 0 73 9 0 >># HG3 K4/H V5 >> 178 1.448 1.448 0 U 4.986e+04 0.00e+00 - 0 73 73 0 >># HG3/HG3 K4 >> 179 1.448 7.685 0 U -1.041e+02 0.00e+00 - 0 73 159 0 >># HG3/HZ K4 >> 180 1.448 1.787 0 U 6.127e+03 0.00e+00 - 0 73 49 0 >># HG3/HB K4 >> 181 1.448 1.714 0 U 2.408e+04 0.00e+00 - 0 73 72 0 >># HG3/HD K4 >> 182 1.448 4.175 0 U 1.933e+03 0.00e+00 - 0 73 48 0 >># HG3/HA K4 >> 183 1.448 8.097 0 U 1.490e+03 0.00e+00 - 0 73 7 0 >># HG3/H K4 >> 184 1.448 2.989 0 U 2.231e+03 0.00e+00 - 0 73 71 0 >># HG3/HE K4 >> 185 3.155 9.026 0 U 5.231e+02 0.00e+00 - 0 84 21 0 >># HB3/H F2 >> 186 3.155 7.211 0 U -8.206e+02 0.00e+00 - 0 84 139 0 >># HB3/HZ F2 >> 187 3.155 3.155 0 U 2.986e+06 0.00e+00 - 0 84 84 0 >># HB3/HB3 F2 >> 188 3.155 3.119 0 U 4.194e+04 0.00e+00 - 0 84 83 0 >># HB3/HB2 F2 >> 189 3.155 7.324 0 U 2.973e+04 0.00e+00 - 0 84 137 0 >># HB3/HD F2 >> 190 3.155 4.639 0 U 3.979e+03 0.00e+00 - 0 84 82 0 >># HB3/HA F2 >> 191 3.155 7.289 0 U -7.591e+03 0.00e+00 - 0 84 136 0 >># HB3/HE F2 >> 192 3.155 8.358 0 U 1.445e+03 0.00e+00 - 0 84 1 0 >># HB3 F2/H K3 >> 193 7.517 6.981 0 U 8.721e+02 0.00e+00 - 0 143 149 0 >># HE3/HZ3 W7 >> 194 7.517 7.517 0 U 5.786e+04 0.00e+00 - 0 143 143 0 >># HE3/HE3 W7 >> 195 7.517 3.305 0 U 3.539e+02 0.00e+00 - 0 143 32 0 >># HE3/HB W7 >> 196 7.517 7.136 0 U 1.000e+03 0.00e+00 - 0 143 147 0 >># HE3/HH2 W7 >> 197 7.517 7.485 0 U -1.648e+04 0.00e+00 - 0 143 141 0 >># HE3/HZ2 W7 >> 198 7.517 10.610 0 U 0.000e+00 0.00e+00 - 0 143 23 0 >># HE3/HE1 W7 >> 199 7.517 4.454 0 U 1.831e+02 0.00e+00 - 0 143 29 0 >># HE3/HA W7 >> 200 7.517 7.366 0 U 2.194e+01 0.00e+00 - 0 143 145 0 >># HE3/HD1 W7 >> 201 7.517 7.947 0 U 1.058e+02 0.00e+00 - 0 143 5 0 >># HE3/H W7 >> 202 7.685 1.374 0 U 8.176e+01 0.00e+00 - 0 159 52 0 >># HZ/HG2 K4 >> 203 7.685 1.448 0 U 6.524e+01 0.00e+00 - 0 159 73 0 >># HZ/HG3 K4 >> 204 7.685 7.685 0 U -2.444e+05 0.00e+00 - 0 159 159 0 >># HZ/HZ K4 >> 205 7.685 1.787 0 U 1.070e+02 0.00e+00 - 0 159 49 0 >># HZ/HB K4 >> 206 7.685 1.714 0 U -1.181e+03 0.00e+00 - 0 159 72 0 >># HZ/HD K4 >> 207 7.685 4.175 0 U 2.673e+02 0.00e+00 - 0 159 48 0 >># HZ/HA K4 >> 208 7.685 8.097 0 U -3.519e+01 0.00e+00 - 0 159 7 0 >># HZ/H K4 >> 209 7.685 2.989 0 U 1.765e+02 0.00e+00 - 0 159 71 0 >># HZ/HE K4 >> 210 1.787 1.374 0 U 1.083e+04 0.00e+00 - 0 49 52 0 >># HB/HG2 K4 >> 211 1.787 8.033 0 U 2.087e+03 0.00e+00 - 0 49 9 0 >># HB K4/H V5 >> 212 1.787 1.448 0 U 5.339e+03 0.00e+00 - 0 49 73 0 >># HB/HG3 K4 >> 213 1.787 7.685 0 U 2.599e+02 0.00e+00 - 0 49 159 0 >># HB/HZ K4 >> 214 1.787 1.787 0 U 1.101e+05 0.00e+00 - 0 49 49 0 >># HB/HB K4 >> 215 1.787 1.714 0 U 3.523e+04 0.00e+00 - 0 49 72 0 >># HB/HD K4 >> 216 1.787 4.175 0 U 5.984e+03 0.00e+00 - 0 49 48 0 >># HB/HA K4 >> 217 1.787 8.097 0 U 7.311e+03 0.00e+00 - 0 49 7 0 >># HB/H K4 >> 218 1.787 2.989 0 U 1.434e+03 0.00e+00 - 0 49 71 0 >># HB/HE K4 >> 219 3.305 6.981 0 U 1.401e+02 0.00e+00 - 0 32 149 0 >># HB/HZ3 W7 >> 220 3.305 7.517 0 U -2.968e+03 0.00e+00 - 0 32 143 0 >># HB/HE3 W7 >> 221 3.305 3.305 0 U 3.013e+05 0.00e+00 - 0 32 32 0 >># HB/HB W7 >> 222 3.305 7.136 0 U 5.793e+01 0.00e+00 - 0 32 147 0 >># HB/HH2 W7 >> 223 3.305 7.485 0 U 7.875e+03 0.00e+00 - 0 32 141 0 >># HB/HZ2 W7 >> 224 3.305 7.989 0 U 2.353e+03 0.00e+00 - 0 32 15 0 >># HB W7/H K8 >> 225 3.305 10.610 0 U 0.000e+00 0.00e+00 - 0 32 23 0 >># HB/HE1 W7 >> 226 3.305 4.454 0 U 1.514e+04 0.00e+00 - 0 32 29 0 >># HB/HA W7 >> 227 3.305 7.366 0 U 5.089e+03 0.00e+00 - 0 32 145 0 >># HB/HD1 W7 >> 228 3.305 7.947 0 U 8.582e+03 0.00e+00 - 0 32 5 0 >># HB/H W7 >> 229 0.633 7.947 0 U 1.291e+03 0.00e+00 - 0 98 5 0 >># HD1/H W7 >> 230 4.240 1.431 0 U 1.891e+02 0.00e+00 - 0 41 45 0 >># HA/HG3 K3 >> 231 4.240 1.363 0 U 1.665e+02 0.00e+00 - 0 41 44 0 >># HA/HG2 K3 >> 232 4.240 4.240 0 U 3.770e+04 0.00e+00 - 0 41 41 0 >># HA/HA K3 >> 233 4.240 1.727 0 U -2.121e+02 0.00e+00 - 0 41 43 0 >># HA/HD K3 >> 234 4.240 7.701 0 U -4.245e+01 0.00e+00 - 0 41 158 0 >># HA/HZ K3 >> 235 4.240 8.097 0 U 1.350e+03 0.00e+00 - 0 41 7 0 >># HA K3/H K4 >> 236 4.240 3.161 0 U -3.468e+01 0.00e+00 - 0 41 42 0 >># HA/HE K3 >> 237 4.240 1.739 0 U 2.124e+03 0.00e+00 - 0 41 47 0 >># HA/HB3 K3 >> 238 4.240 8.358 0 U 4.339e+02 0.00e+00 - 0 41 1 0 >># HA/H K3 >> 239 4.240 1.792 0 U 6.004e+02 0.00e+00 - 0 41 46 0 >># HA/HB2 K3 >> 240 7.672 0.963 0 U 1.096e+03 0.00e+00 - 0 17 85 0 >># H/HD1 L11 >> 241 7.672 4.282 0 U 7.974e+03 0.00e+00 - 0 17 33 0 >># H/HA L11 >> 242 7.672 7.825 0 U 9.266e+03 0.00e+00 - 0 17 13 0 >># H L11/H F10 >> 243 7.672 7.672 0 U 4.106e+05 0.00e+00 - 0 17 17 0 >># H/H L11 >> 244 7.672 3.154 0 U 3.030e+03 0.00e+00 - 0 17 28 0 >># H L11/HB F10 >> 245 7.672 1.718 0 U 1.001e+04 0.00e+00 - 0 17 37 0 >># H/HB2 L11 >> 246 7.672 4.530 0 U 3.546e+03 0.00e+00 - 0 17 26 0 >># H L11/HA F10 >> 247 7.672 1.682 0 U 3.753e+03 0.00e+00 - 0 17 156 0 >># H/HB3 L11 >> 248 7.672 0.916 0 U 1.897e+03 0.00e+00 - 0 17 86 0 >># H/HD2 L11 >> 249 7.672 1.642 0 U 3.290e+03 0.00e+00 - 0 17 35 0 >># H/HG L11 >> 250 1.415 1.882 0 U -2.058e+04 0.00e+00 - 0 126 123 0 >># HG/HB K1 >> 251 1.415 4.023 0 U 8.574e+02 0.00e+00 - 0 126 122 0 >># HG/HA K1 >> 252 1.415 1.415 0 U 6.356e+05 0.00e+00 - 0 126 126 0 >># HG/HG K1 >> 253 1.415 1.728 0 U 8.440e+03 0.00e+00 - 0 126 125 0 >># HG/HD K1 >> 254 1.415 3.022 0 U 3.789e+02 0.00e+00 - 0 126 124 0 >># HG/HE K1 >> 255 3.960 0.863 0 U 3.243e+03 0.00e+00 - 0 67 69 0 >># HA/HG1 V5 >> 256 3.960 8.033 0 U 1.821e+03 0.00e+00 - 0 67 9 0 >># HA/H V5 >> 257 3.960 1.876 0 U 3.245e+02 0.00e+00 - 0 67 68 0 >># HA/HB V5 >> 258 3.960 8.170 0 U 5.720e+03 0.00e+00 - 0 67 3 0 >># HA V5/H I6 >> 259 3.960 3.960 0 U 1.274e+05 0.00e+00 - 0 67 67 0 >># HA/HA V5 >> 260 3.960 0.637 0 U 3.034e+03 0.00e+00 - 0 67 70 0 >># HA/HG2 V5 >> 261 2.922 1.667 0 U 8.514e+02 0.00e+00 - 0 75 78 0 >># HE/HD K8 >> 262 2.922 1.749 0 U 1.117e+03 0.00e+00 - 0 75 77 0 >># HE/HB K8 >> 263 2.922 2.922 0 U 1.008e+06 0.00e+00 - 0 75 75 0 >># HE/HE K8 >> 264 2.922 4.017 0 U -1.349e+01 0.00e+00 - 0 75 74 0 >># HE/HA K8 >> 265 2.922 7.687 0 U 3.441e+02 0.00e+00 - 0 75 157 0 >># HE/HZ K8 >> 266 2.922 7.989 0 U 6.110e+00 0.00e+00 - 0 75 15 0 >># HE/H K8 >> 267 2.922 1.198 0 U 5.505e+03 0.00e+00 - 0 75 80 0 >># HE/HG K8 >> 268 1.454 0.873 0 U 4.377e+03 0.00e+00 - 0 153 150 0 >># HG12/HG2 I6 >> 269 1.454 1.189 0 U 4.206e+04 0.00e+00 - 0 153 155 0 >># HG12/HG13 I6 >> 270 1.454 8.170 0 U 2.631e+03 0.00e+00 - 0 153 3 0 >># HG12/H I6 >> 271 1.454 1.454 0 U 4.213e+05 0.00e+00 - 0 153 153 0 >># HG12/HG12 I6 >> 272 1.454 4.152 0 U 1.579e+03 0.00e+00 - 0 153 38 0 >># HG12/HA I6 >> 273 1.454 1.938 0 U 3.606e+03 0.00e+00 - 0 153 103 0 >># HG12/HB I6 >> 274 1.454 0.838 0 U 4.921e+02 0.00e+00 - 0 153 151 0 >># HG12/HD1 I6 >> 275 1.727 1.431 0 U -1.514e+04 0.00e+00 - 0 43 45 0 >># HD/HG3 K3 >> 276 1.727 1.363 0 U -8.308e+02 0.00e+00 - 0 43 44 0 >># HD/HG2 K3 >> 277 1.727 4.240 0 U 6.488e+02 0.00e+00 - 0 43 41 0 >># HD/HA K3 >> 278 1.727 1.727 0 U -1.202e+08 0.00e+00 - 0 43 43 0 >># HD/HD K3 >> 279 1.727 7.701 0 U -1.621e+03 0.00e+00 - 0 43 158 0 >># HD/HZ K3 >> 280 1.727 3.161 0 U -2.250e+02 0.00e+00 - 0 43 42 0 >># HD/HE K3 >> 281 1.727 1.739 0 U -2.709e+06 0.00e+00 - 0 43 47 0 >># HD/HB3 K3 >> 282 1.727 8.358 0 U 1.685e+03 0.00e+00 - 0 43 1 0 >># HD/H K3 >> 283 1.727 1.792 0 U 1.513e+05 0.00e+00 - 0 43 46 0 >># HD/HB2 K3 >> 284 1.714 1.374 0 U 5.158e+03 0.00e+00 - 0 72 52 0 >># HD/HG2 K4 >> 285 1.714 1.448 0 U 3.669e+04 0.00e+00 - 0 72 73 0 >># HD/HG3 K4 >> 286 1.714 7.685 0 U -2.517e+03 0.00e+00 - 0 72 159 0 >># HD/HZ K4 >> 287 1.714 1.787 0 U 8.844e+04 0.00e+00 - 0 72 49 0 >># HD/HB K4 >> 288 1.714 1.714 0 U -9.041e+06 0.00e+00 - 0 72 72 0 >># HD/HD K4 >> 289 1.714 4.175 0 U 1.669e+03 0.00e+00 - 0 72 48 0 >># HD/HA K4 >> 290 1.714 8.097 0 U 1.612e+03 0.00e+00 - 0 72 7 0 >># HD/H K4 >> 291 1.714 2.989 0 U -1.755e+04 0.00e+00 - 0 72 71 0 >># HD/HE K4 >> 292 3.119 9.026 0 U 6.798e+02 0.00e+00 - 0 83 21 0 >># HB2/H F2 >> 293 3.119 7.211 0 U -1.944e+01 0.00e+00 - 0 83 139 0 >># HB2/HZ F2 >> 294 3.119 3.155 0 U 1.065e+05 0.00e+00 - 0 83 84 0 >># HB2/HB3 F2 >> 295 3.119 3.119 0 U 1.515e+05 0.00e+00 - 0 83 83 0 >># HB2/HB2 F2 >> 296 3.119 7.324 0 U 3.964e+03 0.00e+00 - 0 83 137 0 >># HB2/HD F2 >> 297 3.119 4.639 0 U 5.293e+03 0.00e+00 - 0 83 82 0 >># HB2/HA F2 >> 298 3.119 7.289 0 U -8.828e+02 0.00e+00 - 0 83 136 0 >># HB2/HE F2 >> 299 3.119 8.358 0 U 1.599e+03 0.00e+00 - 0 83 1 0 >># HB2 F2/H K3 >> 300 7.701 1.431 0 U -5.240e+01 0.00e+00 - 0 158 45 0 >># HZ/HG3 K3 >> 301 7.701 1.363 0 U 4.629e+01 0.00e+00 - 0 158 44 0 >># HZ/HG2 K3 >> 302 7.701 4.240 0 U -3.546e+01 0.00e+00 - 0 158 41 0 >># HZ/HA K3 >> 303 7.701 1.727 0 U 1.392e+03 0.00e+00 - 0 158 43 0 >># HZ/HD K3 >> 304 7.701 7.701 0 U 2.090e+04 0.00e+00 - 0 158 158 0 >># HZ/HZ K3 >> 305 7.701 3.161 0 U 1.348e+02 0.00e+00 - 0 158 42 0 >># HZ/HE K3 >> 306 7.701 1.739 0 U -4.188e+02 0.00e+00 - 0 158 47 0 >># HZ/HB3 K3 >> 307 7.701 8.358 0 U -3.268e+01 0.00e+00 - 0 158 1 0 >># HZ/H K3 >> 308 7.701 1.792 0 U -1.571e+01 0.00e+00 - 0 158 46 0 >># HZ/HB2 K3 >> 309 4.175 1.374 0 U 2.978e+02 0.00e+00 - 0 48 52 0 >># HA/HG2 K4 >> 310 4.175 8.033 0 U 2.244e+03 0.00e+00 - 0 48 9 0 >># HA K4/H V5 >> 311 4.175 1.448 0 U 3.791e+02 0.00e+00 - 0 48 73 0 >># HA/HG3 K4 >> 312 4.175 7.685 0 U 4.100e+01 0.00e+00 - 0 48 159 0 >># HA/HZ K4 >> 313 4.175 1.787 0 U 2.304e+03 0.00e+00 - 0 48 49 0 >># HA/HB K4 >> 314 4.175 1.714 0 U 1.600e+02 0.00e+00 - 0 48 72 0 >># HA/HD K4 >> 315 4.175 4.175 0 U 5.275e+04 0.00e+00 - 0 48 48 0 >># HA/HA K4 >> 316 4.175 8.097 0 U 8.756e+02 0.00e+00 - 0 48 7 0 >># HA/H K4 >> 317 4.175 2.989 0 U 3.278e+02 0.00e+00 - 0 48 71 0 >># HA/HE K4 >> 318 3.812 7.915 0 U 2.412e+03 0.00e+00 - 0 31 19 0 >># HB/H S9 >> 319 3.812 7.825 0 U 8.743e+02 0.00e+00 - 0 31 13 0 >># HB S9/H F10 >> 320 3.812 3.812 0 U 1.591e+05 0.00e+00 - 0 31 31 0 >># HB/HB S9 >> 321 3.812 4.266 0 U 4.939e+03 0.00e+00 - 0 31 30 0 >># HB/HA S9 >> 322 8.097 1.374 0 U 2.441e+03 0.00e+00 - 0 7 52 0 >># H/HG2 K4 >> 323 8.097 1.448 0 U 3.239e+03 0.00e+00 - 0 7 73 0 >># H/HG3 K4 >> 324 8.097 7.685 0 U 3.438e+02 0.00e+00 - 0 7 159 0 >># H/HZ K4 >> 325 8.097 1.787 0 U 1.352e+04 0.00e+00 - 0 7 49 0 >># H/HB K4 >> 326 8.097 4.240 0 U 1.893e+04 0.00e+00 - 0 7 41 0 >># H K4/HA K3 >> 327 8.097 1.714 0 U 2.721e+03 0.00e+00 - 0 7 72 0 >># H/HD K4 >> 328 8.097 4.175 0 U 8.650e+03 0.00e+00 - 0 7 48 0 >># H/HA K4 >> 329 8.097 8.097 0 U 4.291e+05 0.00e+00 - 0 7 7 0 >># H/H K4 >> 330 8.097 2.989 0 U 3.356e+02 0.00e+00 - 0 7 71 0 >># H/HE K4 >> 331 8.097 8.358 0 U 4.077e+03 0.00e+00 - 0 7 1 0 >># H K4/H K3 >> 332 7.324 9.026 0 U -1.880e+02 0.00e+00 - 0 137 21 0 >># HD/H F2 >> 333 7.324 7.211 0 U 3.326e+04 0.00e+00 - 0 137 139 0 >># HD/HZ F2 >> 334 7.324 3.155 0 U 1.045e+04 0.00e+00 - 0 137 84 0 >># HD/HB3 F2 >> 335 7.324 3.119 0 U 2.731e+03 0.00e+00 - 0 137 83 0 >># HD/HB2 F2 >> 336 7.324 7.324 0 U 3.086e+06 0.00e+00 - 0 137 137 0 >># HD/HD F2 >> 337 7.324 4.639 0 U 6.361e+03 0.00e+00 - 0 137 82 0 >># HD/HA F2 >> 338 7.324 7.289 0 U -1.071e+06 0.00e+00 - 0 137 136 0 >># HD/HE F2 >> 339 7.136 4.282 0 U 3.220e+03 0.00e+00 - 0 147 33 0 >># HH2 W7/HA L11 >> 340 7.136 6.981 0 U 5.052e+03 0.00e+00 - 0 147 149 0 >># HH2/HZ3 W7 >> 341 7.136 7.517 0 U 4.203e+02 0.00e+00 - 0 147 143 0 >># HH2/HE3 W7 >> 342 7.136 3.305 0 U 6.636e+01 0.00e+00 - 0 147 32 0 >># HH2/HB W7 >> 343 7.136 7.136 0 U 5.138e+05 0.00e+00 - 0 147 147 0 >># HH2/HH2 W7 >> 344 7.136 7.485 0 U 1.380e+03 0.00e+00 - 0 147 141 0 >># HH2/HZ2 W7 >> 345 7.136 10.610 0 U 0.000e+00 0.00e+00 - 0 147 23 0 >># HH2/HE1 W7 >> 346 7.136 4.454 0 U 1.354e+02 0.00e+00 - 0 147 29 0 >># HH2/HA W7 >> 347 7.136 7.366 0 U 4.912e+02 0.00e+00 - 0 147 145 0 >># HH2/HD1 W7 >> 348 7.136 7.947 0 U -1.522e+02 0.00e+00 - 0 147 5 0 >># HH2/H W7 >> 349 4.152 0.873 0 U 1.331e+03 0.00e+00 - 0 38 150 0 >># HA/HG2 I6 >> 350 4.152 1.189 0 U 5.296e+02 0.00e+00 - 0 38 155 0 >># HA/HG13 I6 >> 351 4.152 8.170 0 U 7.282e+02 0.00e+00 - 0 38 3 0 >># HA/H I6 >> 352 4.152 1.454 0 U 2.724e+02 0.00e+00 - 0 38 153 0 >># HA/HG12 I6 >> 353 4.152 4.152 0 U 3.913e+04 0.00e+00 - 0 38 38 0 >># HA/HA I6 >> 354 4.152 1.938 0 U 5.207e+02 0.00e+00 - 0 38 103 0 >># HA/HB I6 >> 355 4.152 0.838 0 U -2.293e+01 0.00e+00 - 0 38 151 0 >># HA/HD1 I6 >> 356 4.152 7.947 0 U 2.101e+03 0.00e+00 - 0 38 5 0 >># HA I6/H W7 >> 357 1.728 1.882 0 U 4.982e+03 0.00e+00 - 0 125 123 0 >># HD/HB K1 >> 358 1.728 4.023 0 U 3.168e+03 0.00e+00 - 0 125 122 0 >># HD/HA K1 >> 359 1.728 1.415 0 U 9.283e+03 0.00e+00 - 0 125 126 0 >># HD/HG K1 >> 360 1.728 1.728 0 U 1.177e+08 0.00e+00 - 0 125 125 0 >># HD/HD K1 >> 361 1.728 3.022 0 U 3.623e+03 0.00e+00 - 0 125 124 0 >># HD/HE K1 >> 362 4.017 7.915 0 U 1.217e+03 0.00e+00 - 0 74 19 0 >># HA K8/H S9 >> 363 4.017 1.667 0 U 7.755e+03 0.00e+00 - 0 74 78 0 >># HA/HD K8 >> 364 4.017 1.749 0 U 1.034e+03 0.00e+00 - 0 74 77 0 >># HA/HB K8 >> 365 4.017 2.922 0 U 3.009e+02 0.00e+00 - 0 74 75 0 >># HA/HE K8 >> 366 4.017 4.017 0 U 5.653e+04 0.00e+00 - 0 74 74 0 >># HA/HA K8 >> 367 4.017 7.687 0 U 2.620e+02 0.00e+00 - 0 74 157 0 >># HA/HZ K8 >> 368 4.017 7.989 0 U 1.699e+03 0.00e+00 - 0 74 15 0 >># HA/H K8 >> 369 4.017 1.198 0 U 2.082e+03 0.00e+00 - 0 74 80 0 >># HA/HG K8 >> 370 1.938 0.873 0 U 1.112e+04 0.00e+00 - 0 103 150 0 >># HB/HG2 I6 >> 371 1.938 1.189 0 U 7.490e+03 0.00e+00 - 0 103 155 0 >># HB/HG13 I6 >> 372 1.938 8.170 0 U 7.181e+03 0.00e+00 - 0 103 3 0 >># HB/H I6 >> 373 1.938 1.454 0 U 5.540e+03 0.00e+00 - 0 103 153 0 >># HB/HG12 I6 >> 374 1.938 4.152 0 U 5.068e+03 0.00e+00 - 0 103 38 0 >># HB/HA I6 >> 375 1.938 1.938 0 U 2.525e+05 0.00e+00 - 0 103 103 0 >># HB/HB I6 >> 376 1.938 0.838 0 U 1.842e+03 0.00e+00 - 0 103 151 0 >># HB/HD1 I6 >> 377 1.938 7.947 0 U 2.576e+03 0.00e+00 - 0 103 5 0 >># HB I6/H W7 >> 378 3.161 1.431 0 U 4.385e+02 0.00e+00 - 0 42 45 0 >># HE/HG3 K3 >> 379 3.161 1.363 0 U 2.145e+02 0.00e+00 - 0 42 44 0 >># HE/HG2 K3 >> 380 3.161 4.240 0 U 3.781e+02 0.00e+00 - 0 42 41 0 >># HE/HA K3 >> 381 3.161 1.727 0 U 1.525e+03 0.00e+00 - 0 42 43 0 >># HE/HD K3 >> 382 3.161 7.701 0 U -4.587e+02 0.00e+00 - 0 42 158 0 >># HE/HZ K3 >> 383 3.161 3.161 0 U -1.921e+05 0.00e+00 - 0 42 42 0 >># HE/HE K3 >> 384 3.161 1.739 0 U -6.058e+02 0.00e+00 - 0 42 47 0 >># HE/HB3 K3 >> 385 3.161 8.358 0 U 5.838e+02 0.00e+00 - 0 42 1 0 >># HE/H K3 >> 386 3.161 1.792 0 U 3.857e+02 0.00e+00 - 0 42 46 0 >># HE/HB2 K3 >> 387 3.154 7.246 0 U 2.393e+03 0.00e+00 - 0 28 128 0 >># HB/HZ F10 >> 388 3.154 7.825 0 U 7.777e+03 0.00e+00 - 0 28 13 0 >># HB/H F10 >> 389 3.154 7.349 0 U 1.817e+05 0.00e+00 - 0 28 132 0 >># HB/HD F10 >> 390 3.154 7.672 0 U 2.429e+03 0.00e+00 - 0 28 17 0 >># HB F10/H L11 >> 391 3.154 3.154 0 U -2.444e+06 0.00e+00 - 0 28 28 0 >># HB/HB F10 >> 392 3.154 7.347 0 U -1.990e+05 0.00e+00 - 0 28 130 0 >># HB/HE F10 >> 393 3.154 4.530 0 U 7.950e+03 0.00e+00 - 0 28 26 0 >># HB/HA F10 >> 394 7.347 7.246 0 U 3.226e+05 0.00e+00 - 0 130 128 0 >># HE/HZ F10 >> 395 7.347 7.825 0 U 1.102e+03 0.00e+00 - 0 130 13 0 >># HE/H F10 >> 396 7.347 7.349 0 U 4.183e+07 0.00e+00 - 0 130 132 0 >># HE/HD F10 >> 397 7.347 3.154 0 U -5.030e+03 0.00e+00 - 0 130 28 0 >># HE/HB F10 >> 398 7.347 7.347 0 U -4.046e+07 0.00e+00 - 0 130 130 0 >># HE/HE F10 >> 399 7.347 4.530 0 U 3.312e+03 0.00e+00 - 0 130 26 0 >># HE/HA F10 >> 400 2.989 1.374 0 U 2.869e+03 0.00e+00 - 0 71 52 0 >># HE/HG2 K4 >> 401 2.989 1.448 0 U 2.977e+03 0.00e+00 - 0 71 73 0 >># HE/HG3 K4 >> 402 2.989 7.685 0 U -3.121e+01 0.00e+00 - 0 71 159 0 >># HE/HZ K4 >> 403 2.989 1.787 0 U 1.598e+03 0.00e+00 - 0 71 49 0 >># HE/HB K4 >> 404 2.989 1.714 0 U -1.492e+04 0.00e+00 - 0 71 72 0 >># HE/HD K4 >> 405 2.989 4.175 0 U 2.242e+02 0.00e+00 - 0 71 48 0 >># HE/HA K4 >> 406 2.989 8.097 0 U 6.774e+01 0.00e+00 - 0 71 7 0 >># HE/H K4 >> 407 2.989 2.989 0 U 1.692e+06 0.00e+00 - 0 71 71 0 >># HE/HE K4 >> 408 4.639 9.026 0 U -1.402e+02 0.00e+00 - 0 82 21 0 >># HA/H F2 >> 409 4.639 7.211 0 U -3.427e+02 0.00e+00 - 0 82 139 0 >># HA/HZ F2 >> 410 4.639 3.155 0 U -1.279e+03 0.00e+00 - 0 82 84 0 >># HA/HB3 F2 >> 411 4.639 3.119 0 U -1.479e+02 0.00e+00 - 0 82 83 0 >># HA/HB2 F2 >> 412 4.639 7.324 0 U -2.221e+03 0.00e+00 - 0 82 137 0 >># HA/HD F2 >> 413 4.639 4.639 0 U 1.190e+02 0.00e+00 - 0 82 82 0 >># HA/HA F2 >> 414 4.639 7.289 0 U 4.193e+02 0.00e+00 - 0 82 136 0 >># HA/HE F2 >> 415 4.639 8.358 0 U -3.606e+02 0.00e+00 - 0 82 1 0 >># HA F2/H K3 >> 416 7.485 6.981 0 U 4.652e+03 0.00e+00 - 0 141 149 0 >># HZ2/HZ3 W7 >> 417 7.485 7.517 0 U -4.810e+05 0.00e+00 - 0 141 143 0 >># HZ2/HE3 W7 >> 418 7.485 3.305 0 U 1.016e+04 0.00e+00 - 0 141 32 0 >># HZ2/HB W7 >> 419 7.485 7.136 0 U 1.348e+03 0.00e+00 - 0 141 147 0 >># HZ2/HH2 W7 >> 420 7.485 7.485 0 U 1.123e+06 0.00e+00 - 0 141 141 0 >># HZ2/HZ2 W7 >> 421 7.485 10.610 0 U 0.000e+00 0.00e+00 - 0 141 23 0 >># HZ2/HE1 W7 >> 422 7.485 4.454 0 U 9.156e+03 0.00e+00 - 0 141 29 0 >># HZ2/HA W7 >> 423 7.485 7.366 0 U 2.880e+03 0.00e+00 - 0 141 145 0 >># HZ2/HD1 W7 >> 424 7.485 7.947 0 U 1.102e+03 0.00e+00 - 0 141 5 0 >># HZ2/H W7 >> 425 7.687 1.667 0 U -2.575e+02 0.00e+00 - 0 157 78 0 >># HZ/HD K8 >> 426 7.687 1.749 0 U -2.766e+02 0.00e+00 - 0 157 77 0 >># HZ/HB K8 >> 427 7.687 2.922 0 U 1.898e+03 0.00e+00 - 0 157 75 0 >># HZ/HE K8 >> 428 7.687 4.017 0 U 5.045e+02 0.00e+00 - 0 157 74 0 >># HZ/HA K8 >> 429 7.687 7.687 0 U 2.144e+05 0.00e+00 - 0 157 157 0 >># HZ/HZ K8 >> 430 7.687 7.989 0 U 2.426e+02 0.00e+00 - 0 157 15 0 >># HZ/H K8 >> 431 7.687 1.198 0 U 2.979e+02 0.00e+00 - 0 157 80 0 >># HZ/HG K8 >> 432 1.739 1.431 0 U 2.636e+03 0.00e+00 - 0 47 45 0 >># HB3/HG3 K3 >> 433 1.739 1.363 0 U 1.790e+03 0.00e+00 - 0 47 44 0 >># HB3/HG2 K3 >> 434 1.739 4.240 0 U 4.406e+03 0.00e+00 - 0 47 41 0 >># HB3/HA K3 >> 435 1.739 1.727 0 U -1.727e+06 0.00e+00 - 0 47 43 0 >># HB3/HD K3 >> 436 1.739 7.701 0 U 1.933e+02 0.00e+00 - 0 47 158 0 >># HB3/HZ K3 >> 437 1.739 3.161 0 U 1.003e+02 0.00e+00 - 0 47 42 0 >># HB3/HE K3 >> 438 1.739 1.739 0 U -5.401e+06 0.00e+00 - 0 47 47 0 >># HB3/HB3 K3 >> 439 1.739 8.358 0 U 2.463e+03 0.00e+00 - 0 47 1 0 >># HB3/H K3 >> 440 1.739 1.792 0 U 1.432e+04 0.00e+00 - 0 47 46 0 >># HB3/HB2 K3 >> 441 4.266 7.915 0 U 3.758e+02 0.00e+00 - 0 30 19 0 >># HA/H S9 >> 442 4.266 7.825 0 U 4.029e+02 0.00e+00 - 0 30 13 0 >># HA S9/H F10 >> 443 4.266 3.812 0 U -3.966e+03 0.00e+00 - 0 30 31 0 >># HA/HB S9 >> 444 4.266 4.266 0 U 4.129e+04 0.00e+00 - 0 30 30 0 >># HA/HA S9 >> 445 7.289 9.026 0 U -1.797e+01 0.00e+00 - 0 136 21 0 >># HE/H F2 >> 446 7.289 7.211 0 U 5.902e+03 0.00e+00 - 0 136 139 0 >># HE/HZ F2 >> 447 7.289 3.155 0 U 9.730e+02 0.00e+00 - 0 136 84 0 >># HE/HB3 F2 >> 448 7.289 3.119 0 U 4.775e+02 0.00e+00 - 0 136 83 0 >># HE/HB2 F2 >> 449 7.289 7.324 0 U -1.117e+05 0.00e+00 - 0 136 137 0 >># HE/HD F2 >> 450 7.289 4.639 0 U 8.961e+01 0.00e+00 - 0 136 82 0 >># HE/HA F2 >> 451 7.289 7.289 0 U 4.304e+05 0.00e+00 - 0 136 136 0 >># HE/HE F2 >> 452 1.718 0.963 0 U 6.701e+03 0.00e+00 - 0 37 85 0 >># HB2/HD1 L11 >> 453 1.718 4.282 0 U 5.568e+03 0.00e+00 - 0 37 33 0 >># HB2/HA L11 >> 454 1.718 7.672 0 U 8.747e+03 0.00e+00 - 0 37 17 0 >># HB2/H L11 >> 455 1.718 1.718 0 U 2.129e+07 0.00e+00 - 0 37 37 0 >># HB2/HB2 L11 >> 456 1.718 1.682 0 U -5.797e+05 0.00e+00 - 0 37 156 0 >># HB2/HB3 L11 >> 457 1.718 0.916 0 U 4.694e+03 0.00e+00 - 0 37 86 0 >># HB2/HD2 L11 >> 458 1.718 1.642 0 U 2.508e+05 0.00e+00 - 0 37 35 0 >># HB2/HG L11 >> 459 7.989 1.667 0 U 8.766e+03 0.00e+00 - 0 15 78 0 >># H/HD K8 >> 460 7.989 1.749 0 U 4.996e+03 0.00e+00 - 0 15 77 0 >># H/HB K8 >> 461 7.989 3.305 0 U 5.510e+03 0.00e+00 - 0 15 32 0 >># H K8/HB W7 >> 462 7.989 2.922 0 U 3.005e+02 0.00e+00 - 0 15 75 0 >># H/HE K8 >> 463 7.989 4.017 0 U 7.419e+03 0.00e+00 - 0 15 74 0 >># H/HA K8 >> 464 7.989 7.687 0 U 6.115e+02 0.00e+00 - 0 15 157 0 >># H/HZ K8 >> 465 7.989 7.989 0 U 2.550e+05 0.00e+00 - 0 15 15 0 >># H/H K8 >> 466 7.989 1.198 0 U 5.539e+03 0.00e+00 - 0 15 80 0 >># H/HG K8 >> 467 7.989 4.454 0 U 5.892e+03 0.00e+00 - 0 15 29 0 >># H K8/HA W7 >> 468 3.022 1.882 0 U 4.044e+02 0.00e+00 - 0 124 123 0 >># HE/HB K1 >> 469 3.022 4.023 0 U -4.592e+02 0.00e+00 - 0 124 122 0 >># HE/HA K1 >> 470 3.022 1.415 0 U 1.083e+03 0.00e+00 - 0 124 126 0 >># HE/HG K1 >> 471 3.022 1.728 0 U 8.447e+03 0.00e+00 - 0 124 125 0 >># HE/HD K1 >> 472 3.022 3.022 0 U 2.978e+05 0.00e+00 - 0 124 124 0 >># HE/HE K1 >> 473 8.358 1.431 0 U 3.058e+03 0.00e+00 - 0 1 45 0 >># H/HG3 K3 >> 474 8.358 1.363 0 U 1.910e+03 0.00e+00 - 0 1 44 0 >># H/HG2 K3 >> 475 8.358 3.155 0 U -3.493e+03 0.00e+00 - 0 1 84 0 >># H K3/HB3 F2 >> 476 8.358 4.240 0 U 5.934e+03 0.00e+00 - 0 1 41 0 >># H/HA K3 >> 477 8.358 1.727 0 U 2.842e+03 0.00e+00 - 0 1 43 0 >># H/HD K3 >> 478 8.358 3.119 0 U 1.519e+03 0.00e+00 - 0 1 83 0 >># H K3/HB2 F2 >> 479 8.358 7.701 0 U 1.959e+02 0.00e+00 - 0 1 158 0 >># H/HZ K3 >> 480 8.358 8.097 0 U 4.136e+03 0.00e+00 - 0 1 7 0 >># H K3/H K4 >> 481 8.358 3.161 0 U 5.768e+03 0.00e+00 - 0 1 42 0 >># H/HE K3 >> 482 8.358 4.639 0 U 1.678e+04 0.00e+00 - 0 1 82 0 >># H K3/HA F2 >> 483 8.358 1.739 0 U 4.282e+03 0.00e+00 - 0 1 47 0 >># H/HB3 K3 >> 484 8.358 8.358 0 U 3.305e+05 0.00e+00 - 0 1 1 0 >># H/H K3 >> 485 8.358 1.792 0 U 3.184e+03 0.00e+00 - 0 1 46 0 >># H/HB2 K3 >> 486 0.838 0.873 0 U -1.128e+06 0.00e+00 - 0 151 150 0 >># HD1/HG2 I6 >> 487 0.838 1.189 0 U 6.085e+03 0.00e+00 - 0 151 155 0 >># HD1/HG13 I6 >> 488 0.838 8.170 0 U 1.468e+03 0.00e+00 - 0 151 3 0 >># HD1/H I6 >> 489 0.838 1.454 0 U 3.204e+03 0.00e+00 - 0 151 153 0 >># HD1/HG12 I6 >> 490 0.838 4.152 0 U 4.226e+03 0.00e+00 - 0 151 38 0 >># HD1/HA I6 >> 491 0.838 1.938 0 U 6.146e+03 0.00e+00 - 0 151 103 0 >># HD1/HB I6 >> 492 0.838 0.838 0 U 2.850e+06 0.00e+00 - 0 151 151 0 >># HD1/HD1 I6 >> 493 10.610 6.981 0 U 0.000e+00 0.00e+00 - 0 23 149 0 >># HE1/HZ3 W7 >> 494 10.610 7.517 0 U 0.000e+00 0.00e+00 - 0 23 143 0 >># HE1/HE3 W7 >> 495 10.610 3.305 0 U 0.000e+00 0.00e+00 - 0 23 32 0 >># HE1/HB W7 >> 496 10.610 7.136 0 U 0.000e+00 0.00e+00 - 0 23 147 0 >># HE1/HH2 W7 >> 497 10.610 7.485 0 U 0.000e+00 0.00e+00 - 0 23 141 0 >># HE1/HZ2 W7 >> 498 10.610 10.610 0 U 0.000e+00 0.00e+00 - 0 23 23 0 >># HE1/HE1 W7 >> 499 10.610 4.454 0 U 0.000e+00 0.00e+00 - 0 23 29 0 >># HE1/HA W7 >> 500 10.610 7.366 0 U 0.000e+00 0.00e+00 - 0 23 145 0 >># HE1/HD1 W7 >> 501 10.610 7.947 0 U 0.000e+00 0.00e+00 - 0 23 5 0 >># HE1/H W7 >> 502 4.530 7.246 0 U -2.193e+01 0.00e+00 - 0 26 128 0 >># HA/HZ F10 >> 503 4.530 7.825 0 U 2.399e+02 0.00e+00 - 0 26 13 0 >># HA/H F10 >> 504 4.530 7.349 0 U -2.429e+03 0.00e+00 - 0 26 132 0 >># HA/HD F10 >> 505 4.530 7.672 0 U -3.494e+01 0.00e+00 - 0 26 17 0 >># HA F10/H L11 >> 506 4.530 3.154 0 U -3.315e+03 0.00e+00 - 0 26 28 0 >># HA/HB F10 >> 507 4.530 7.347 0 U 2.348e+03 0.00e+00 - 0 26 130 0 >># HA/HE F10 >> 508 4.530 4.530 0 U 1.858e+03 0.00e+00 - 0 26 26 0 >># HA/HA F10 >> 509 0.637 0.863 0 U 2.122e+04 0.00e+00 - 0 70 69 0 >># HG2/HG1 V5 >> 510 0.637 8.033 0 U 2.441e+03 0.00e+00 - 0 70 9 0 >># HG2/H V5 >> 511 0.637 1.876 0 U 2.567e+02 0.00e+00 - 0 70 68 0 >># HG2/HB V5 >> 512 0.637 8.170 0 U 3.702e+03 0.00e+00 - 0 70 3 0 >># HG2 V5/H I6 >> 513 0.637 3.960 0 U 8.200e+03 0.00e+00 - 0 70 67 0 >># HG2/HA V5 >> 514 0.637 0.637 0 U 1.339e+06 0.00e+00 - 0 70 70 0 >># HG2/HG2 V5 >> 515 1.198 7.915 0 U 7.189e+02 0.00e+00 - 0 80 19 0 >># HG K8/H S9 >> 516 1.198 1.667 0 U -6.844e+03 0.00e+00 - 0 80 78 0 >># HG/HD K8 >> 517 1.198 1.749 0 U -4.091e+03 0.00e+00 - 0 80 77 0 >># HG/HB K8 >> 518 1.198 2.922 0 U 4.222e+03 0.00e+00 - 0 80 75 0 >># HG/HE K8 >> 519 1.198 4.017 0 U 3.622e+03 0.00e+00 - 0 80 74 0 >># HG/HA K8 >> 520 1.198 7.687 0 U 1.273e+02 0.00e+00 - 0 80 157 0 >># HG/HZ K8 >> 521 1.198 7.989 0 U 2.255e+03 0.00e+00 - 0 80 15 0 >># HG/H K8 >> 522 1.198 1.198 0 U 1.811e+06 0.00e+00 - 0 80 80 0 >># HG/HG K8 >> 523 1.682 0.963 0 U 7.679e+03 0.00e+00 - 0 156 85 0 >># HB3/HD1 L11 >> 524 1.682 4.282 0 U 4.152e+03 0.00e+00 - 0 156 33 0 >># HB3/HA L11 >> 525 1.682 7.672 0 U 4.177e+03 0.00e+00 - 0 156 17 0 >># HB3/H L11 >> 526 1.682 1.718 0 U 3.417e+04 0.00e+00 - 0 156 37 0 >># HB3/HB2 L11 >> 527 1.682 1.682 0 U 1.096e+06 0.00e+00 - 0 156 156 0 >># HB3/HB3 L11 >> 528 1.682 0.916 0 U 1.205e+04 0.00e+00 - 0 156 86 0 >># HB3/HD2 L11 >> 529 1.682 1.642 0 U -2.079e+05 0.00e+00 - 0 156 35 0 >># HB3/HG L11 >> 530 1.792 1.431 0 U -5.348e+02 0.00e+00 - 0 46 45 0 >># HB2/HG3 K3 >> 531 1.792 1.363 0 U -8.016e+03 0.00e+00 - 0 46 44 0 >># HB2/HG2 K3 >> 532 1.792 4.240 0 U 3.339e+03 0.00e+00 - 0 46 41 0 >># HB2/HA K3 >> 533 1.792 1.727 0 U 4.907e+04 0.00e+00 - 0 46 43 0 >># HB2/HD K3 >> 534 1.792 7.701 0 U -3.300e+01 0.00e+00 - 0 46 158 0 >># HB2/HZ K3 >> 535 1.792 3.161 0 U 8.640e+01 0.00e+00 - 0 46 42 0 >># HB2/HE K3 >> 536 1.792 1.739 0 U 3.921e+04 0.00e+00 - 0 46 47 0 >># HB2/HB3 K3 >> 537 1.792 8.358 0 U 2.597e+03 0.00e+00 - 0 46 1 0 >># HB2/H K3 >> 538 1.792 1.792 0 U 3.859e+05 0.00e+00 - 0 46 46 0 >># HB2/HB2 K3 >> 539 4.454 6.981 0 U -1.435e+01 0.00e+00 - 0 29 149 0 >># HA/HZ3 W7 >> 540 4.454 7.517 0 U 6.850e+01 0.00e+00 - 0 29 143 0 >># HA/HE3 W7 >> 541 4.454 3.305 0 U -4.498e+02 0.00e+00 - 0 29 32 0 >># HA/HB W7 >> 542 4.454 7.136 0 U -4.107e+01 0.00e+00 - 0 29 147 0 >># HA/HH2 W7 >> 543 4.454 7.485 0 U 6.969e+01 0.00e+00 - 0 29 141 0 >># HA/HZ2 W7 >> 544 4.454 7.989 0 U 5.713e+00 0.00e+00 - 0 29 15 0 >># HA W7/H K8 >> 545 4.454 10.610 0 U 0.000e+00 0.00e+00 - 0 29 23 0 >># HA/HE1 W7 >> 546 4.454 4.454 0 U 3.927e+03 0.00e+00 - 0 29 29 0 >># HA/HA W7 >> 547 4.454 7.366 0 U -8.652e+01 0.00e+00 - 0 29 145 0 >># HA/HD1 W7 >> 548 4.454 7.947 0 U 2.281e+01 0.00e+00 - 0 29 5 0 >># HA/H W7 >> 549 0.916 0.963 0 U -4.557e+05 0.00e+00 - 0 86 85 0 >># HD2/HD1 L11 >> 550 0.916 4.282 0 U 1.359e+04 0.00e+00 - 0 86 33 0 >># HD2/HA L11 >> 551 0.916 7.672 0 U 1.936e+03 0.00e+00 - 0 86 17 0 >># HD2/H L11 >> 552 0.916 1.718 0 U 1.466e+02 0.00e+00 - 0 86 37 0 >># HD2/HB2 L11 >> 553 0.916 1.682 0 U 2.005e+04 0.00e+00 - 0 86 156 0 >># HD2/HB3 L11 >> 554 0.916 0.916 0 U 2.523e+06 0.00e+00 - 0 86 86 0 >># HD2/HD2 L11 >> 555 0.916 1.642 0 U 4.896e+03 0.00e+00 - 0 86 35 0 >># HD2/HG L11 >> 556 7.366 6.981 0 U 5.568e+02 0.00e+00 - 0 145 149 0 >># HD1/HZ3 W7 >> 557 7.366 7.517 0 U -1.574e+03 0.00e+00 - 0 145 143 0 >># HD1/HE3 W7 >> 558 7.366 3.305 0 U 1.142e+04 0.00e+00 - 0 145 32 0 >># HD1/HB W7 >> 559 7.366 7.136 0 U 9.051e+02 0.00e+00 - 0 145 147 0 >># HD1/HH2 W7 >> 560 7.366 7.485 0 U 3.313e+03 0.00e+00 - 0 145 141 0 >># HD1/HZ2 W7 >> 561 7.366 10.610 0 U 0.000e+00 0.00e+00 - 0 145 23 0 >># HD1/HE1 W7 >> 562 7.366 4.454 0 U 3.574e+03 0.00e+00 - 0 145 29 0 >># HD1/HA W7 >> 563 7.366 7.366 0 U 9.631e+05 0.00e+00 - 0 145 145 0 >># HD1/HD1 W7 >> 564 7.366 7.947 0 U 7.999e+03 0.00e+00 - 0 145 5 0 >># HD1/H W7 >> 565 1.642 0.963 0 U 5.851e+03 0.00e+00 - 0 35 85 0 >># HG/HD1 L11 >> 566 1.642 4.282 0 U 2.828e+03 0.00e+00 - 0 35 33 0 >># HG/HA L11 >> 567 1.642 7.672 0 U 3.384e+03 0.00e+00 - 0 35 17 0 >># HG/H L11 >> 568 1.642 1.718 0 U 1.187e+05 0.00e+00 - 0 35 37 0 >># HG/HB2 L11 >> 569 1.642 1.682 0 U -6.056e+04 0.00e+00 - 0 35 156 0 >># HG/HB3 L11 >> 570 1.642 0.916 0 U 6.310e+03 0.00e+00 - 0 35 86 0 >># HG/HD2 L11 >> 571 1.642 1.642 0 U 6.715e+05 0.00e+00 - 0 35 35 0 >># HG/HG L11 >> 572 7.947 0.873 0 U 4.560e+03 0.00e+00 - 0 5 150 0 >># H W7/HG2 I6 >> 573 7.947 6.981 0 U 5.053e+01 0.00e+00 - 0 5 149 0 >># H/HZ3 W7 >> 574 7.947 8.170 0 U 4.792e+03 0.00e+00 - 0 5 3 0 >># H W7/H I6 >> 575 7.947 7.517 0 U -5.811e+02 0.00e+00 - 0 5 143 0 >># H/HE3 W7 >> 576 7.947 3.305 0 U 1.235e+04 0.00e+00 - 0 5 32 0 >># H/HB W7 >> 577 7.947 7.136 0 U 1.545e+02 0.00e+00 - 0 5 147 0 >># H/HH2 W7 >> 578 7.947 4.152 0 U 1.793e+04 0.00e+00 - 0 5 38 0 >># H W7/HA I6 >> 579 7.947 1.938 0 U 3.816e+03 0.00e+00 - 0 5 103 0 >># H W7/HB I6 >> 580 7.947 7.485 0 U 1.848e+03 0.00e+00 - 0 5 141 0 >># H/HZ2 W7 >> 581 7.947 10.610 0 U 0.000e+00 0.00e+00 - 0 5 23 0 >># H/HE1 W7 >> 582 7.947 4.454 0 U 7.182e+03 0.00e+00 - 0 5 29 0 >># H/HA W7 >> 583 7.947 7.366 0 U 4.809e+03 0.00e+00 - 0 5 145 0 >># H/HD1 W7 >> 584 7.947 7.947 0 U 2.511e+05 0.00e+00 - 0 5 5 0 >># H/H W7 >>; >> >> 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 . . 8169.935 Hz . . . 4.7 . . 34406 1 >> 2 . . H 1 H . . 8169.935 Hz . . . 4.7 . . 34406 1 >> >> stop_ >> >>save_ >> ; save_