data_34402 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of the peptide 536_2 from medicinal leech Hirudo medicinalis in dodecylphosphocholine micelles ; _BMRB_accession_number 34402 _BMRB_flat_file_name bmr34402.str _Entry_type original _Submission_date 2019-05-20 _Accession_date 2019-05-20 _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 Nadezhdin K. D. . 2 Grafskaia E. N. . 3 Arseniev A. S. . 4 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" 77 "13C chemical shifts" 41 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 536_2' _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 1322.703 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 11 _Mol_residue_sequence ; GFIVKRFKILV ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PHE 3 ILE 4 VAL 5 LYS 6 ARG 7 PHE 8 LYS 9 ILE 10 LEU 11 VAL 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 536_2, 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 PSVS _Version 3.98.5 loop_ _Vendor _Address _Electronic_address 'Bhattacharya and Montelione' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name TopSpin _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _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_5 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _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 . mM 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 TSP 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-13C HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.917 0.020 2 2 1 1 GLY HA3 H 3.831 0.020 2 3 1 1 GLY CA C 43.119 0.400 1 4 2 2 PHE HA H 4.470 0.020 1 5 2 2 PHE HB2 H 3.233 0.020 2 6 2 2 PHE HB3 H 3.109 0.020 2 7 2 2 PHE HD1 H 7.261 0.020 1 8 2 2 PHE HD2 H 7.261 0.020 1 9 2 2 PHE HE1 H 7.311 0.020 1 10 2 2 PHE HE2 H 7.311 0.020 1 11 2 2 PHE CA C 59.620 0.400 1 12 2 2 PHE CB C 39.520 0.400 1 13 3 3 ILE H H 8.601 0.020 1 14 3 3 ILE HA H 3.708 0.020 1 15 3 3 ILE HB H 1.984 0.020 1 16 3 3 ILE HG12 H 1.073 0.020 2 17 3 3 ILE HG13 H 1.507 0.020 2 18 3 3 ILE HG2 H 0.820 0.020 1 19 3 3 ILE HD1 H 0.874 0.020 1 20 3 3 ILE CA C 63.703 0.400 1 21 3 3 ILE CB C 36.786 0.400 1 22 3 3 ILE CG1 C 28.334 0.400 1 23 3 3 ILE CG2 C 17.233 0.400 1 24 3 3 ILE CD1 C 12.452 0.400 1 25 4 4 VAL H H 8.166 0.020 1 26 4 4 VAL HA H 3.643 0.020 1 27 4 4 VAL HB H 2.073 0.020 1 28 4 4 VAL HG1 H 0.982 0.020 2 29 4 4 VAL HG2 H 1.040 0.020 2 30 4 4 VAL CA C 65.929 0.400 1 31 4 4 VAL CB C 31.269 0.400 1 32 4 4 VAL CG1 C 21.248 0.400 2 33 4 4 VAL CG2 C 22.505 0.400 2 34 5 5 LYS H H 8.055 0.020 1 35 5 5 LYS HA H 3.955 0.020 1 36 5 5 LYS HB2 H 1.835 0.020 2 37 5 5 LYS HB3 H 1.798 0.020 2 38 5 5 LYS HG2 H 1.356 0.020 2 39 5 5 LYS HG3 H 1.504 0.020 2 40 5 5 LYS HD2 H 1.633 0.020 2 41 5 5 LYS HD3 H 1.633 0.020 2 42 5 5 LYS HE2 H 2.922 0.020 2 43 5 5 LYS HE3 H 2.922 0.020 2 44 5 5 LYS CA C 58.957 0.400 1 45 5 5 LYS CB C 32.062 0.400 1 46 5 5 LYS CG C 24.775 0.400 1 47 5 5 LYS CD C 28.987 0.400 1 48 5 5 LYS CE C 41.629 0.400 1 49 6 6 ARG H H 7.897 0.020 1 50 6 6 ARG HA H 4.044 0.020 1 51 6 6 ARG HB2 H 1.765 0.020 2 52 6 6 ARG HB3 H 1.765 0.020 2 53 6 6 ARG HG2 H 1.507 0.020 2 54 6 6 ARG HG3 H 1.441 0.020 2 55 6 6 ARG HD2 H 3.057 0.020 2 56 6 6 ARG HD3 H 3.057 0.020 2 57 6 6 ARG HE H 7.642 0.020 1 58 6 6 ARG CA C 57.173 0.400 1 59 6 6 ARG CG C 26.635 0.400 1 60 6 6 ARG CD C 42.147 0.400 1 61 7 7 PHE H H 8.323 0.020 1 62 7 7 PHE HA H 4.240 0.020 1 63 7 7 PHE HB2 H 3.236 0.020 2 64 7 7 PHE HB3 H 3.103 0.020 2 65 7 7 PHE HD1 H 7.120 0.020 1 66 7 7 PHE HD2 H 7.120 0.020 1 67 7 7 PHE HE1 H 7.077 0.020 1 68 7 7 PHE HE2 H 7.077 0.020 1 69 7 7 PHE CA C 60.374 0.400 1 70 7 7 PHE CB C 38.929 0.400 1 71 8 8 LYS H H 8.291 0.020 1 72 8 8 LYS HA H 3.847 0.020 1 73 8 8 LYS HB2 H 1.931 0.020 2 74 8 8 LYS HB3 H 1.877 0.020 2 75 8 8 LYS HG2 H 1.398 0.020 2 76 8 8 LYS HG3 H 1.688 0.020 2 77 8 8 LYS HD2 H 1.741 0.020 2 78 8 8 LYS HD3 H 1.741 0.020 2 79 8 8 LYS HE2 H 2.902 0.020 2 80 8 8 LYS HE3 H 2.902 0.020 2 81 8 8 LYS CA C 59.178 0.400 1 82 8 8 LYS CB C 31.785 0.400 1 83 8 8 LYS CG C 25.467 0.400 1 84 8 8 LYS CD C 29.079 0.400 1 85 8 8 LYS CE C 41.514 0.400 1 86 9 9 ILE H H 7.546 0.020 1 87 9 9 ILE HA H 3.848 0.020 1 88 9 9 ILE HB H 1.907 0.020 1 89 9 9 ILE HG12 H 1.201 0.020 2 90 9 9 ILE HG13 H 1.636 0.020 2 91 9 9 ILE HG2 H 0.896 0.020 1 92 9 9 ILE HD1 H 0.837 0.020 1 93 9 9 ILE CA C 62.876 0.400 1 94 9 9 ILE CB C 37.997 0.400 1 95 9 9 ILE CG1 C 28.172 0.400 1 96 9 9 ILE CG2 C 17.012 0.400 1 97 9 9 ILE CD1 C 12.921 0.400 1 98 10 10 LEU H H 7.704 0.020 1 99 10 10 LEU HA H 4.108 0.020 1 100 10 10 LEU HB2 H 1.758 0.020 2 101 10 10 LEU HB3 H 1.596 0.020 2 102 10 10 LEU HG H 1.694 0.020 1 103 10 10 LEU HD1 H 0.860 0.020 2 104 10 10 LEU HD2 H 0.885 0.020 2 105 10 10 LEU CA C 56.713 0.400 1 106 10 10 LEU CB C 42.292 0.400 1 107 10 10 LEU CG C 26.589 0.400 1 108 10 10 LEU CD1 C 23.685 0.400 2 109 10 10 LEU CD2 C 24.866 0.400 2 110 11 11 VAL H H 7.508 0.020 1 111 11 11 VAL HA H 3.987 0.020 1 112 11 11 VAL HB H 2.022 0.020 1 113 11 11 VAL HG1 H 0.751 0.020 2 114 11 11 VAL HG2 H 0.764 0.020 2 115 11 11 VAL CA C 61.919 0.400 1 116 11 11 VAL CB C 31.682 0.400 1 117 11 11 VAL CG1 C 19.876 0.400 2 118 11 11 VAL CG2 C 21.240 0.400 2 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 34402 >> _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 0.820 7.897 0 U 1.248e+03 0.00e+00 - 0 130 116 0 >># HG2 I3/H R6 >> 2 7.897 0.820 0 U 1.556e+03 0.00e+00 - 0 116 130 0 >># H R6/HG2 I3 >> 3 1.356 7.897 0 U 7.172e+02 0.00e+00 - 0 139 116 0 >># HG2 K5/H R6 >> 4 7.897 1.356 0 U 1.276e+03 0.00e+00 - 0 116 139 0 >># H R6/HG2 K5 >> 5 4.045 0.834 0 U 4.194e+03 0.00e+00 - 0 117 195 0 >># HA R6/HD1 I9 >> 6 0.834 4.045 0 U 8.112e+03 0.00e+00 - 0 195 117 0 >># HD1 I9/HA R6 >> 7 1.507 1.507 0 U 4.678e+04 0.00e+00 - 0 178 178 0 >># HG13/HG13 I3 >> 8 1.507 0.820 0 U 4.113e+03 0.00e+00 - 0 178 130 0 >># HG13/HG2 I3 >> 9 1.507 1.073 0 U 1.886e+04 0.00e+00 - 0 178 131 0 >># HG13/HG12 I3 >> 10 1.507 3.708 0 U 2.526e+03 0.00e+00 - 0 178 107 0 >># HG13/HA I3 >> 11 1.507 1.984 0 U 2.847e+03 0.00e+00 - 0 178 129 0 >># HG13/HB I3 >> 12 1.507 0.874 0 U 7.666e+03 0.00e+00 - 0 178 193 0 >># HG13/HD1 I3 >> 13 1.507 8.601 0 U 3.345e+03 0.00e+00 - 0 178 106 0 >># HG13/H I3 >> 14 4.108 4.108 0 U 1.779e+05 0.00e+00 - 0 119 119 0 >># HA/HA L10 >> 15 4.108 0.860 0 U 3.353e+03 0.00e+00 - 0 119 148 0 >># HA/HD1 L10 >> 16 4.108 0.885 0 U 9.833e+03 0.00e+00 - 0 119 189 0 >># HA/HD2 L10 >> 17 4.108 1.596 0 U 6.124e+03 0.00e+00 - 0 119 146 0 >># HA/HB3 L10 >> 18 4.108 1.694 0 U 2.533e+03 0.00e+00 - 0 119 147 0 >># HA/HG L10 >> 19 4.108 7.704 0 U 5.003e+03 0.00e+00 - 0 119 118 0 >># HA/H L10 >> 20 4.108 1.758 0 U 6.394e+03 0.00e+00 - 0 119 145 0 >># HA/HB2 L10 >> 21 4.108 7.508 0 U 2.488e+03 0.00e+00 - 0 119 124 0 >># HA L10/H V11 >> 22 1.398 1.398 0 U 1.158e+05 0.00e+00 - 0 134 134 0 >># HG2/HG2 K8 >> 23 1.398 1.741 0 U 3.412e+03 0.00e+00 - 0 134 207 0 >># HG2/HD K8 >> 24 1.398 1.877 0 U 3.947e+03 0.00e+00 - 0 134 133 0 >># HG2/HB3 K8 >> 25 1.398 2.902 0 U 1.778e+03 0.00e+00 - 0 134 211 0 >># HG2/HE K8 >> 26 1.398 3.847 0 U 3.819e+03 0.00e+00 - 0 134 109 0 >># HG2/HA K8 >> 27 1.398 1.931 0 U 2.688e+03 0.00e+00 - 0 134 132 0 >># HG2/HB2 K8 >> 28 1.398 8.291 0 U 1.212e+03 0.00e+00 - 0 134 108 0 >># HG2/H K8 >> 29 1.398 1.688 0 U 1.843e+04 0.00e+00 - 0 134 140 0 >># HG2/HG3 K8 >> 30 0.820 1.507 0 U 7.155e+03 0.00e+00 - 0 130 178 0 >># HG2/HG13 I3 >> 31 0.820 0.820 0 U 1.187e+06 0.00e+00 - 0 130 130 0 >># HG2/HG2 I3 >> 32 0.820 1.073 0 U 9.400e+03 0.00e+00 - 0 130 131 0 >># HG2/HG12 I3 >> 33 0.820 8.166 0 U 4.986e+03 0.00e+00 - 0 130 110 0 >># HG2 I3/H V4 >> 34 0.820 3.708 0 U 1.585e+04 0.00e+00 - 0 130 107 0 >># HG2/HA I3 >> 35 0.820 1.984 0 U 2.749e+04 0.00e+00 - 0 130 129 0 >># HG2/HB I3 >> 36 0.820 0.874 0 U 1.644e+05 0.00e+00 - 0 130 193 0 >># HG2/HD1 I3 >> 37 0.820 8.601 0 U 3.753e+03 0.00e+00 - 0 130 106 0 >># HG2/H I3 >> 38 4.045 4.045 0 U 1.620e+05 0.00e+00 - 0 117 117 0 >># HA/HA R6 >> 39 4.045 0.896 0 U 3.816e+03 0.00e+00 - 0 117 152 0 >># HA R6/HG2 I9 >> 40 4.045 1.441 0 U 2.547e+03 0.00e+00 - 0 117 144 0 >># HA/HG3 R6 >> 41 4.045 1.765 0 U 1.095e+04 0.00e+00 - 0 117 142 0 >># HA/HB R6 >> 42 4.045 7.897 0 U 4.540e+03 0.00e+00 - 0 117 116 0 >># HA/H R6 >> 43 4.045 1.907 0 U 4.423e+03 0.00e+00 - 0 117 151 0 >># HA R6/HB I9 >> 44 4.045 1.507 0 U 3.346e+03 0.00e+00 - 0 117 143 0 >># HA/HG2 R6 >> 45 4.045 3.057 0 U 6.385e+03 0.00e+00 - 0 117 141 0 >># HA/HD R6 >> 46 4.045 7.546 0 U 1.818e+03 0.00e+00 - 0 117 120 0 >># HA R6/H I9 >> 47 4.045 7.642 0 U 1.109e+03 0.00e+00 - 0 117 210 0 >># HA/HE R6 >> 48 4.045 8.323 0 U 2.386e+03 0.00e+00 - 0 117 112 0 >># HA R6/H F7 >> 49 1.073 1.507 0 U 1.612e+04 0.00e+00 - 0 131 178 0 >># HG12/HG13 I3 >> 50 1.073 0.820 0 U 5.646e+03 0.00e+00 - 0 131 130 0 >># HG12/HG2 I3 >> 51 1.073 1.073 0 U 9.383e+04 0.00e+00 - 0 131 131 0 >># HG12/HG12 I3 >> 52 1.073 3.708 0 U 3.295e+03 0.00e+00 - 0 131 107 0 >># HG12/HA I3 >> 53 1.073 1.984 0 U 2.584e+03 0.00e+00 - 0 131 129 0 >># HG12/HB I3 >> 54 1.073 0.874 0 U 2.181e+04 0.00e+00 - 0 131 193 0 >># HG12/HD1 I3 >> 55 1.073 8.601 0 U 1.919e+03 0.00e+00 - 0 131 106 0 >># HG12/H I3 >> 56 1.040 1.040 0 U 5.524e+05 0.00e+00 - 0 127 127 0 >># HG2/HG2 V4 >> 57 1.040 8.166 0 U 9.962e+03 0.00e+00 - 0 127 110 0 >># HG2/H V4 >> 58 1.040 8.055 0 U 2.295e+03 0.00e+00 - 0 127 114 0 >># HG2 V4/H K5 >> 59 1.040 3.643 0 U 1.243e+04 0.00e+00 - 0 127 111 0 >># HG2/HA V4 >> 60 1.040 2.073 0 U 1.820e+04 0.00e+00 - 0 127 126 0 >># HG2/HB V4 >> 61 1.040 0.982 0 U 1.581e+04 0.00e+00 - 0 127 128 0 >># HG2/HG1 V4 >> 62 0.896 4.045 0 U 4.434e+03 0.00e+00 - 0 152 117 0 >># HG2 I9/HA R6 >> 63 0.896 0.896 0 U 1.280e+06 0.00e+00 - 0 152 152 0 >># HG2/HG2 I9 >> 64 0.896 1.201 0 U 8.285e+03 0.00e+00 - 0 152 198 0 >># HG2/HG12 I9 >> 65 0.896 0.834 0 U 1.389e+05 0.00e+00 - 0 152 195 0 >># HG2/HD1 I9 >> 66 0.896 3.848 0 U 1.608e+04 0.00e+00 - 0 152 121 0 >># HG2/HA I9 >> 67 0.896 1.907 0 U 3.674e+04 0.00e+00 - 0 152 151 0 >># HG2/HB I9 >> 68 0.896 1.636 0 U 7.229e+03 0.00e+00 - 0 152 200 0 >># HG2/HG13 I9 >> 69 0.896 7.546 0 U 7.438e+03 0.00e+00 - 0 152 120 0 >># HG2/H I9 >> 70 0.896 7.704 0 U 4.474e+03 0.00e+00 - 0 152 118 0 >># HG2 I9/H L10 >> 71 1.441 4.045 0 U 2.234e+03 0.00e+00 - 0 144 117 0 >># HG3/HA R6 >> 72 1.441 1.441 0 U 6.790e+04 0.00e+00 - 0 144 144 0 >># HG3/HG3 R6 >> 73 1.441 1.765 0 U 6.571e+03 0.00e+00 - 0 144 142 0 >># HG3/HB R6 >> 74 1.441 7.897 0 U 1.514e+03 0.00e+00 - 0 144 116 0 >># HG3/H R6 >> 75 1.441 1.507 0 U 4.938e+04 0.00e+00 - 0 144 143 0 >># HG3/HG2 R6 >> 76 1.441 3.057 0 U 4.278e+03 0.00e+00 - 0 144 141 0 >># HG3/HD R6 >> 77 1.441 7.642 0 U 9.924e+02 0.00e+00 - 0 144 210 0 >># HG3/HE R6 >> 78 3.109 3.109 0 U 7.193e+04 0.00e+00 - 0 160 160 0 >># HB3/HB3 F2 >> 79 3.109 7.311 0 U 5.268e+02 0.00e+00 - 0 160 216 0 >># HB3/HE F2 >> 80 3.109 3.233 0 U 5.957e+04 0.00e+00 - 0 160 159 0 >># HB3/HB2 F2 >> 81 3.109 7.261 0 U 3.622e+03 0.00e+00 - 0 160 215 0 >># HB3/HD F2 >> 82 3.109 4.470 0 U 5.352e+03 0.00e+00 - 0 160 158 0 >># HB3/HA F2 >> 83 3.109 8.601 0 U 1.654e+03 0.00e+00 - 0 160 106 0 >># HB3 F2/H I3 >> 84 0.860 4.108 0 U 1.023e+04 0.00e+00 - 0 148 119 0 >># HD1/HA L10 >> 85 0.860 0.860 0 U 1.152e+06 0.00e+00 - 0 148 148 0 >># HD1/HD1 L10 >> 86 0.860 0.885 0 U 5.615e+05 0.00e+00 - 0 148 189 0 >># HD1/HD2 L10 >> 87 0.860 1.596 0 U 7.447e+03 0.00e+00 - 0 148 146 0 >># HD1/HB3 L10 >> 88 0.860 1.694 0 U 3.731e+02 0.00e+00 - 0 148 147 0 >># HD1/HG L10 >> 89 0.860 4.240 0 U 1.954e+03 0.00e+00 - 0 148 113 0 >># HD1 L10/HA F7 >> 90 0.860 7.704 0 U 1.442e+03 0.00e+00 - 0 148 118 0 >># HD1/H L10 >> 91 0.860 1.758 0 U 3.511e+03 0.00e+00 - 0 148 145 0 >># HD1/HB2 L10 >> 92 8.166 0.820 0 U 4.028e+03 0.00e+00 - 0 110 130 0 >># H V4/HG2 I3 >> 93 8.166 1.040 0 U 1.081e+04 0.00e+00 - 0 110 127 0 >># H/HG2 V4 >> 94 8.166 8.166 0 U 9.367e+04 0.00e+00 - 0 110 110 0 >># H/H V4 >> 95 8.166 3.708 0 U 4.524e+03 0.00e+00 - 0 110 107 0 >># H V4/HA I3 >> 96 8.166 8.055 0 U 7.855e+03 0.00e+00 - 0 110 114 0 >># H V4/H K5 >> 97 8.166 3.643 0 U 6.004e+03 0.00e+00 - 0 110 111 0 >># H/HA V4 >> 98 8.166 2.073 0 U 1.131e+04 0.00e+00 - 0 110 126 0 >># H/HB V4 >> 99 8.166 1.984 0 U 7.250e+03 0.00e+00 - 0 110 129 0 >># H V4/HB I3 >> 100 8.166 0.982 0 U 2.804e+03 0.00e+00 - 0 110 128 0 >># H/HG1 V4 >> 101 8.166 0.874 0 U 1.178e+03 0.00e+00 - 0 110 193 0 >># H V4/HD1 I3 >> 102 8.166 8.601 0 U 5.984e+03 0.00e+00 - 0 110 106 0 >># H V4/H I3 >> 103 1.201 0.896 0 U 9.322e+03 0.00e+00 - 0 198 152 0 >># HG12/HG2 I9 >> 104 1.201 1.201 0 U 2.381e+06 0.00e+00 - 0 198 198 0 >># HG12/HG12 I9 >> 105 1.201 0.834 0 U 8.439e+03 0.00e+00 - 0 198 195 0 >># HG12/HD1 I9 >> 106 1.201 3.848 0 U 4.481e+03 0.00e+00 - 0 198 121 0 >># HG12/HA I9 >> 107 1.201 1.907 0 U 5.276e+02 0.00e+00 - 0 198 151 0 >># HG12/HB I9 >> 108 1.201 1.636 0 U 1.752e+04 0.00e+00 - 0 198 200 0 >># HG12/HG13 I9 >> 109 1.201 7.546 0 U 2.265e+03 0.00e+00 - 0 198 120 0 >># HG12/H I9 >> 110 0.834 0.896 0 U 4.171e+04 0.00e+00 - 0 195 152 0 >># HD1/HG2 I9 >> 111 0.834 1.201 0 U 9.755e+03 0.00e+00 - 0 195 198 0 >># HD1/HG12 I9 >> 112 0.834 0.834 0 U 1.084e+06 0.00e+00 - 0 195 195 0 >># HD1/HD1 I9 >> 113 0.834 3.848 0 U 4.412e+03 0.00e+00 - 0 195 121 0 >># HD1/HA I9 >> 114 0.834 1.907 0 U 1.192e+04 0.00e+00 - 0 195 151 0 >># HD1/HB I9 >> 115 0.834 1.636 0 U 1.065e+04 0.00e+00 - 0 195 200 0 >># HD1/HG13 I9 >> 116 0.834 7.546 0 U 2.827e+03 0.00e+00 - 0 195 120 0 >># HD1/H I9 >> 117 0.885 4.108 0 U 1.251e+04 0.00e+00 - 0 189 119 0 >># HD2/HA L10 >> 118 0.885 0.860 0 U -9.235e+05 0.00e+00 - 0 189 148 0 >># HD2/HD1 L10 >> 119 0.885 0.885 0 U 2.463e+06 0.00e+00 - 0 189 189 0 >># HD2/HD2 L10 >> 120 0.885 1.596 0 U 9.581e+03 0.00e+00 - 0 189 146 0 >># HD2/HB3 L10 >> 121 0.885 1.694 0 U 3.720e+03 0.00e+00 - 0 189 147 0 >># HD2/HG L10 >> 122 0.885 4.240 0 U 5.154e+03 0.00e+00 - 0 189 113 0 >># HD2 L10/HA F7 >> 123 0.885 7.704 0 U 4.192e+03 0.00e+00 - 0 189 118 0 >># HD2/H L10 >> 124 0.885 1.758 0 U 1.304e+04 0.00e+00 - 0 189 145 0 >># HD2/HB2 L10 >> 125 0.885 7.120 0 U -2.589e+02 0.00e+00 - 0 189 217 0 >># HD2 L10/HD F7 >> 126 0.885 7.508 0 U 7.360e+02 0.00e+00 - 0 189 124 0 >># HD2 L10/H V11 >> 127 3.708 1.507 0 U 3.741e+03 0.00e+00 - 0 107 178 0 >># HA/HG13 I3 >> 128 3.708 0.820 0 U 8.865e+03 0.00e+00 - 0 107 130 0 >># HA/HG2 I3 >> 129 3.708 1.073 0 U 5.566e+03 0.00e+00 - 0 107 131 0 >># HA/HG12 I3 >> 130 3.708 8.166 0 U 3.527e+03 0.00e+00 - 0 107 110 0 >># HA I3/H V4 >> 131 3.708 3.708 0 U 1.112e+05 0.00e+00 - 0 107 107 0 >># HA/HA I3 >> 132 3.708 1.765 0 U 3.594e+03 0.00e+00 - 0 107 142 0 >># HA I3/HB R6 >> 133 3.708 1.984 0 U 4.651e+03 0.00e+00 - 0 107 129 0 >># HA/HB I3 >> 134 3.708 7.897 0 U 1.617e+03 0.00e+00 - 0 107 116 0 >># HA I3/H R6 >> 135 3.708 7.261 0 U 1.165e+03 0.00e+00 - 0 107 215 0 >># HA I3/HD F2 >> 136 3.708 0.874 0 U 3.813e+03 0.00e+00 - 0 107 193 0 >># HA/HD1 I3 >> 137 3.708 8.601 0 U 3.924e+03 0.00e+00 - 0 107 106 0 >># HA/H I3 >> 138 1.741 1.398 0 U 4.461e+03 0.00e+00 - 0 207 134 0 >># HD/HG2 K8 >> 139 1.741 1.741 0 U 1.400e+05 0.00e+00 - 0 207 207 0 >># HD/HD K8 >> 140 1.741 1.877 0 U 6.615e+03 0.00e+00 - 0 207 133 0 >># HD/HB3 K8 >> 141 1.741 2.902 0 U 7.016e+02 0.00e+00 - 0 207 211 0 >># HD/HE K8 >> 142 1.741 3.847 0 U 1.299e+03 0.00e+00 - 0 207 109 0 >># HD/HA K8 >> 143 1.741 1.931 0 U 3.165e+03 0.00e+00 - 0 207 132 0 >># HD/HB2 K8 >> 144 1.741 8.291 0 U 1.936e+03 0.00e+00 - 0 207 108 0 >># HD/H K8 >> 145 1.741 1.688 0 U 4.016e+04 0.00e+00 - 0 207 140 0 >># HD/HG3 K8 >> 146 8.055 1.040 0 U 2.659e+03 0.00e+00 - 0 114 127 0 >># H K5/HG2 V4 >> 147 8.055 8.166 0 U 9.492e+03 0.00e+00 - 0 114 110 0 >># H K5/H V4 >> 148 8.055 8.055 0 U 1.257e+05 0.00e+00 - 0 114 114 0 >># H/H K5 >> 149 8.055 1.633 0 U 1.929e+03 0.00e+00 - 0 114 137 0 >># H/HD K5 >> 150 8.055 3.643 0 U 6.020e+03 0.00e+00 - 0 114 111 0 >># H K5/HA V4 >> 151 8.055 2.073 0 U 7.391e+03 0.00e+00 - 0 114 126 0 >># H K5/HB V4 >> 152 8.055 1.356 0 U 1.991e+03 0.00e+00 - 0 114 139 0 >># H/HG2 K5 >> 153 8.055 7.897 0 U 7.628e+03 0.00e+00 - 0 114 116 0 >># H K5/H R6 >> 154 8.055 2.922 0 U 5.985e+02 0.00e+00 - 0 114 213 0 >># H/HE K5 >> 155 8.055 1.798 0 U 8.851e+03 0.00e+00 - 0 114 136 0 >># H/HB3 K5 >> 156 8.055 0.982 0 U 3.405e+03 0.00e+00 - 0 114 128 0 >># H K5/HG1 V4 >> 157 8.055 3.955 0 U 1.026e+04 0.00e+00 - 0 114 115 0 >># H/HA K5 >> 158 8.055 4.470 0 U 2.158e+03 0.00e+00 - 0 114 158 0 >># H K5/HA F2 >> 159 8.055 1.504 0 U 4.458e+03 0.00e+00 - 0 114 138 0 >># H/HG3 K5 >> 160 8.055 1.835 0 U 1.390e+04 0.00e+00 - 0 114 135 0 >># H/HB2 K5 >> 161 1.633 8.055 0 U 1.471e+03 0.00e+00 - 0 137 114 0 >># HD/H K5 >> 162 1.633 1.633 0 U -2.481e+05 0.00e+00 - 0 137 137 0 >># HD/HD K5 >> 163 1.633 1.356 0 U 1.205e+04 0.00e+00 - 0 137 139 0 >># HD/HG2 K5 >> 164 1.633 2.922 0 U 1.263e+04 0.00e+00 - 0 137 213 0 >># HD/HE K5 >> 165 1.633 1.798 0 U 7.196e+03 0.00e+00 - 0 137 136 0 >># HD/HB3 K5 >> 166 1.633 3.955 0 U 2.513e+03 0.00e+00 - 0 137 115 0 >># HD/HA K5 >> 167 1.633 1.504 0 U 3.498e+04 0.00e+00 - 0 137 138 0 >># HD/HG3 K5 >> 168 1.633 1.835 0 U 3.731e+03 0.00e+00 - 0 137 135 0 >># HD/HB2 K5 >> 169 7.311 3.109 0 U 7.055e+02 0.00e+00 - 0 216 160 0 >># HE/HB3 F2 >> 170 7.311 7.311 0 U 2.829e+05 0.00e+00 - 0 216 216 0 >># HE/HE F2 >> 171 7.311 3.233 0 U 3.185e+02 0.00e+00 - 0 216 159 0 >># HE/HB2 F2 >> 172 7.311 7.261 0 U 6.495e+04 0.00e+00 - 0 216 215 0 >># HE/HD F2 >> 173 7.311 4.470 0 U 4.512e+02 0.00e+00 - 0 216 158 0 >># HE/HA F2 >> 174 3.643 1.040 0 U 1.136e+04 0.00e+00 - 0 111 127 0 >># HA/HG2 V4 >> 175 3.643 8.166 0 U 4.999e+03 0.00e+00 - 0 111 110 0 >># HA/H V4 >> 176 3.643 8.055 0 U 3.974e+03 0.00e+00 - 0 111 114 0 >># HA V4/H K5 >> 177 3.643 3.643 0 U 1.437e+05 0.00e+00 - 0 111 111 0 >># HA/HA V4 >> 178 3.643 2.073 0 U 5.457e+03 0.00e+00 - 0 111 126 0 >># HA/HB V4 >> 179 3.643 3.103 0 U 3.645e+03 0.00e+00 - 0 111 123 0 >># HA V4/HB3 F7 >> 180 3.643 0.982 0 U 9.312e+03 0.00e+00 - 0 111 128 0 >># HA/HG1 V4 >> 181 3.643 8.323 0 U 2.818e+03 0.00e+00 - 0 111 112 0 >># HA V4/H F7 >> 182 3.643 3.236 0 U 4.978e+03 0.00e+00 - 0 111 122 0 >># HA V4/HB2 F7 >> 183 2.073 1.040 0 U 6.883e+03 0.00e+00 - 0 126 127 0 >># HB/HG2 V4 >> 184 2.073 8.166 0 U 5.653e+03 0.00e+00 - 0 126 110 0 >># HB/H V4 >> 185 2.073 8.055 0 U 3.190e+03 0.00e+00 - 0 126 114 0 >># HB V4/H K5 >> 186 2.073 3.643 0 U 2.938e+03 0.00e+00 - 0 126 111 0 >># HB/HA V4 >> 187 2.073 2.073 0 U 9.506e+04 0.00e+00 - 0 126 126 0 >># HB/HB V4 >> 188 2.073 0.982 0 U 6.249e+03 0.00e+00 - 0 126 128 0 >># HB/HG1 V4 >> 189 3.103 3.643 0 U 3.270e+03 0.00e+00 - 0 123 111 0 >># HB3 F7/HA V4 >> 190 3.103 3.103 0 U 9.728e+04 0.00e+00 - 0 123 123 0 >># HB3/HB3 F7 >> 191 3.103 7.077 0 U -4.149e+02 0.00e+00 - 0 123 218 0 >># HB3/HE F7 >> 192 3.103 4.240 0 U 6.463e+03 0.00e+00 - 0 123 113 0 >># HB3/HA F7 >> 193 3.103 8.291 0 U 1.608e+03 0.00e+00 - 0 123 108 0 >># HB3 F7/H K8 >> 194 3.103 7.120 0 U 3.761e+03 0.00e+00 - 0 123 217 0 >># HB3/HD F7 >> 195 3.103 8.323 0 U 9.624e+03 0.00e+00 - 0 123 112 0 >># HB3/H F7 >> 196 3.103 3.236 0 U 7.381e+03 0.00e+00 - 0 123 122 0 >># HB3/HB2 F7 >> 197 1.765 4.045 0 U 8.073e+03 0.00e+00 - 0 142 117 0 >># HB/HA R6 >> 198 1.765 1.441 0 U 6.172e+03 0.00e+00 - 0 142 144 0 >># HB/HG3 R6 >> 199 1.765 3.708 0 U 2.236e+03 0.00e+00 - 0 142 107 0 >># HB R6/HA I3 >> 200 1.765 1.765 0 U 8.650e+04 0.00e+00 - 0 142 142 0 >># HB/HB R6 >> 201 1.765 7.897 0 U 7.332e+03 0.00e+00 - 0 142 116 0 >># HB/H R6 >> 202 1.765 1.507 0 U 8.259e+03 0.00e+00 - 0 142 143 0 >># HB/HG2 R6 >> 203 1.765 3.057 0 U 3.434e+03 0.00e+00 - 0 142 141 0 >># HB/HD R6 >> 204 1.765 7.642 0 U 1.475e+03 0.00e+00 - 0 142 210 0 >># HB/HE R6 >> 205 3.917 3.917 0 U 3.416e+04 0.00e+00 - 0 174 174 0 >># HA2/HA2 G1 >> 206 3.917 3.831 0 U 4.225e+04 0.00e+00 - 0 174 176 0 >># HA2/HA3 G1 >> 207 1.356 8.055 0 U 1.172e+03 0.00e+00 - 0 139 114 0 >># HG2/H K5 >> 208 1.356 1.633 0 U 7.156e+03 0.00e+00 - 0 139 137 0 >># HG2/HD K5 >> 209 1.356 1.356 0 U 1.652e+05 0.00e+00 - 0 139 139 0 >># HG2/HG2 K5 >> 210 1.356 2.922 0 U 1.795e+03 0.00e+00 - 0 139 213 0 >># HG2/HE K5 >> 211 1.356 1.798 0 U 3.472e+03 0.00e+00 - 0 139 136 0 >># HG2/HB3 K5 >> 212 1.356 3.955 0 U 2.114e+03 0.00e+00 - 0 139 115 0 >># HG2/HA K5 >> 213 1.356 1.504 0 U 2.565e+04 0.00e+00 - 0 139 138 0 >># HG2/HG3 K5 >> 214 1.356 1.835 0 U 2.410e+03 0.00e+00 - 0 139 135 0 >># HG2/HB2 K5 >> 215 3.848 0.896 0 U 9.736e+03 0.00e+00 - 0 121 152 0 >># HA/HG2 I9 >> 216 3.848 1.201 0 U 6.869e+03 0.00e+00 - 0 121 198 0 >># HA/HG12 I9 >> 217 3.848 0.834 0 U 3.365e+03 0.00e+00 - 0 121 195 0 >># HA/HD1 I9 >> 218 3.848 3.848 0 U 4.594e+05 0.00e+00 - 0 121 121 0 >># HA/HA I9 >> 219 3.848 1.907 0 U 5.676e+03 0.00e+00 - 0 121 151 0 >># HA/HB I9 >> 220 3.848 1.636 0 U 5.204e+03 0.00e+00 - 0 121 200 0 >># HA/HG13 I9 >> 221 3.848 7.546 0 U 9.537e+03 0.00e+00 - 0 121 120 0 >># HA/H I9 >> 222 3.848 7.704 0 U 4.219e+03 0.00e+00 - 0 121 118 0 >># HA I9/H L10 >> 223 1.877 1.398 0 U 6.312e+03 0.00e+00 - 0 133 134 0 >># HB3/HG2 K8 >> 224 1.877 1.741 0 U 7.682e+03 0.00e+00 - 0 133 207 0 >># HB3/HD K8 >> 225 1.877 1.877 0 U 9.670e+04 0.00e+00 - 0 133 133 0 >># HB3/HB3 K8 >> 226 1.877 2.902 0 U 9.959e+02 0.00e+00 - 0 133 211 0 >># HB3/HE K8 >> 227 1.877 3.847 0 U 9.154e+03 0.00e+00 - 0 133 109 0 >># HB3/HA K8 >> 228 1.877 1.931 0 U 6.744e+04 0.00e+00 - 0 133 132 0 >># HB3/HB2 K8 >> 229 1.877 8.291 0 U 5.533e+03 0.00e+00 - 0 133 108 0 >># HB3/H K8 >> 230 1.877 1.688 0 U 1.592e+04 0.00e+00 - 0 133 140 0 >># HB3/HG3 K8 >> 231 1.984 1.507 0 U 4.123e+03 0.00e+00 - 0 129 178 0 >># HB/HG13 I3 >> 232 1.984 0.820 0 U 8.135e+03 0.00e+00 - 0 129 130 0 >># HB/HG2 I3 >> 233 1.984 1.073 0 U 3.490e+03 0.00e+00 - 0 129 131 0 >># HB/HG12 I3 >> 234 1.984 8.166 0 U 4.381e+03 0.00e+00 - 0 129 110 0 >># HB I3/H V4 >> 235 1.984 3.708 0 U 2.137e+03 0.00e+00 - 0 129 107 0 >># HB/HA I3 >> 236 1.984 1.984 0 U 9.313e+04 0.00e+00 - 0 129 129 0 >># HB/HB I3 >> 237 1.984 0.874 0 U 5.253e+03 0.00e+00 - 0 129 193 0 >># HB/HD1 I3 >> 238 1.984 8.601 0 U 7.637e+03 0.00e+00 - 0 129 106 0 >># HB/H I3 >> 239 7.897 4.045 0 U 8.213e+03 0.00e+00 - 0 116 117 0 >># H/HA R6 >> 240 7.897 1.441 0 U 2.848e+03 0.00e+00 - 0 116 144 0 >># H/HG3 R6 >> 241 7.897 3.708 0 U 2.459e+03 0.00e+00 - 0 116 107 0 >># H R6/HA I3 >> 242 7.897 8.055 0 U 6.646e+03 0.00e+00 - 0 116 114 0 >># H R6/H K5 >> 243 7.897 1.765 0 U 1.926e+04 0.00e+00 - 0 116 142 0 >># H/HB R6 >> 244 7.897 7.897 0 U 1.106e+05 0.00e+00 - 0 116 116 0 >># H/H R6 >> 245 7.897 1.507 0 U 4.343e+03 0.00e+00 - 0 116 143 0 >># H/HG2 R6 >> 246 7.897 3.057 0 U 1.724e+03 0.00e+00 - 0 116 141 0 >># H/HD R6 >> 247 7.897 3.955 0 U 3.940e+03 0.00e+00 - 0 116 115 0 >># H R6/HA K5 >> 248 7.897 7.642 0 U 1.089e+03 0.00e+00 - 0 116 210 0 >># H/HE R6 >> 249 7.897 8.323 0 U 8.842e+03 0.00e+00 - 0 116 112 0 >># H R6/H F7 >> 250 2.902 1.398 0 U 2.718e+03 0.00e+00 - 0 211 134 0 >># HE/HG2 K8 >> 251 2.902 1.741 0 U 1.416e+03 0.00e+00 - 0 211 207 0 >># HE/HD K8 >> 252 2.902 1.877 0 U 1.370e+03 0.00e+00 - 0 211 133 0 >># HE/HB3 K8 >> 253 2.902 2.902 0 U 3.724e+05 0.00e+00 - 0 211 211 0 >># HE/HE K8 >> 254 2.902 3.847 0 U 6.377e+02 0.00e+00 - 0 211 109 0 >># HE/HA K8 >> 255 2.902 1.931 0 U 8.733e+02 0.00e+00 - 0 211 132 0 >># HE/HB2 K8 >> 256 2.902 0.982 0 U 3.032e+03 0.00e+00 - 0 211 128 0 >># HE K8/HG1 V4 >> 257 2.902 8.291 0 U 4.630e+02 0.00e+00 - 0 211 108 0 >># HE/H K8 >> 258 2.902 1.688 0 U 5.558e+03 0.00e+00 - 0 211 140 0 >># HE/HG3 K8 >> 259 3.233 3.109 0 U 1.113e+05 0.00e+00 - 0 159 160 0 >># HB2/HB3 F2 >> 260 3.233 7.311 0 U 4.479e+02 0.00e+00 - 0 159 216 0 >># HB2/HE F2 >> 261 3.233 3.233 0 U 3.689e+03 0.00e+00 - 0 159 159 0 >># HB2/HB2 F2 >> 262 3.233 7.261 0 U 2.901e+03 0.00e+00 - 0 159 215 0 >># HB2/HD F2 >> 263 3.233 4.470 0 U 5.792e+03 0.00e+00 - 0 159 158 0 >># HB2/HA F2 >> 264 3.233 8.601 0 U 1.487e+03 0.00e+00 - 0 159 106 0 >># HB2 F2/H I3 >> 265 2.922 8.055 0 U 3.399e+02 0.00e+00 - 0 213 114 0 >># HE/H K5 >> 266 2.922 1.633 0 U 1.037e+04 0.00e+00 - 0 213 137 0 >># HE/HD K5 >> 267 2.922 1.356 0 U 3.151e+03 0.00e+00 - 0 213 139 0 >># HE/HG2 K5 >> 268 2.922 2.922 0 U 5.840e+05 0.00e+00 - 0 213 213 0 >># HE/HE K5 >> 269 2.922 1.798 0 U 7.832e+02 0.00e+00 - 0 213 136 0 >># HE/HB3 K5 >> 270 2.922 3.955 0 U 1.060e+02 0.00e+00 - 0 213 115 0 >># HE/HA K5 >> 271 2.922 1.504 0 U 3.171e+03 0.00e+00 - 0 213 138 0 >># HE/HG3 K5 >> 272 2.922 1.835 0 U 8.832e+02 0.00e+00 - 0 213 135 0 >># HE/HB2 K5 >> 273 1.907 4.045 0 U 3.682e+03 0.00e+00 - 0 151 117 0 >># HB I9/HA R6 >> 274 1.907 0.896 0 U 9.908e+03 0.00e+00 - 0 151 152 0 >># HB/HG2 I9 >> 275 1.907 1.201 0 U 3.159e+03 0.00e+00 - 0 151 198 0 >># HB/HG12 I9 >> 276 1.907 0.834 0 U 6.157e+03 0.00e+00 - 0 151 195 0 >># HB/HD1 I9 >> 277 1.907 3.848 0 U 8.301e+03 0.00e+00 - 0 151 121 0 >># HB/HA I9 >> 278 1.907 1.907 0 U 1.401e+05 0.00e+00 - 0 151 151 0 >># HB/HB I9 >> 279 1.907 1.636 0 U 6.477e+03 0.00e+00 - 0 151 200 0 >># HB/HG13 I9 >> 280 1.907 7.546 0 U 9.055e+03 0.00e+00 - 0 151 120 0 >># HB/H I9 >> 281 1.907 7.704 0 U 4.061e+03 0.00e+00 - 0 151 118 0 >># HB I9/H L10 >> 282 1.596 4.108 0 U 6.546e+03 0.00e+00 - 0 146 119 0 >># HB3/HA L10 >> 283 1.596 0.860 0 U 4.862e+03 0.00e+00 - 0 146 148 0 >># HB3/HD1 L10 >> 284 1.596 0.885 0 U 1.079e+04 0.00e+00 - 0 146 189 0 >># HB3/HD2 L10 >> 285 1.596 1.596 0 U 1.552e+05 0.00e+00 - 0 146 146 0 >># HB3/HB3 L10 >> 286 1.596 1.694 0 U 4.162e+04 0.00e+00 - 0 146 147 0 >># HB3/HG L10 >> 287 1.596 4.240 0 U 2.829e+03 0.00e+00 - 0 146 113 0 >># HB3 L10/HA F7 >> 288 1.596 7.704 0 U 6.009e+03 0.00e+00 - 0 146 118 0 >># HB3/H L10 >> 289 1.596 1.758 0 U 4.118e+04 0.00e+00 - 0 146 145 0 >># HB3/HB2 L10 >> 290 1.596 7.508 0 U 2.683e+03 0.00e+00 - 0 146 124 0 >># HB3 L10/H V11 >> 291 2.022 2.022 0 U 1.068e+05 0.00e+00 - 0 150 150 0 >># HB/HB V11 >> 292 2.022 0.764 0 U 1.487e+04 0.00e+00 - 0 150 191 0 >># HB/HG2 V11 >> 293 2.022 3.987 0 U 5.133e+03 0.00e+00 - 0 150 125 0 >># HB/HA V11 >> 294 2.022 0.751 0 U 3.882e+02 0.00e+00 - 0 150 149 0 >># HB/HG1 V11 >> 295 2.022 7.508 0 U 2.341e+03 0.00e+00 - 0 150 124 0 >># HB/H V11 >> 296 1.507 4.045 0 U 2.980e+03 0.00e+00 - 0 143 117 0 >># HG2/HA R6 >> 297 1.507 1.441 0 U 4.046e+04 0.00e+00 - 0 143 144 0 >># HG2/HG3 R6 >> 298 1.507 1.765 0 U 9.917e+03 0.00e+00 - 0 143 142 0 >># HG2/HB R6 >> 299 1.507 7.897 0 U 2.431e+03 0.00e+00 - 0 143 116 0 >># HG2/H R6 >> 300 1.507 1.507 0 U 4.678e+04 0.00e+00 - 0 143 143 0 >># HG2/HG2 R6 >> 301 1.507 3.057 0 U 5.396e+03 0.00e+00 - 0 143 141 0 >># HG2/HD R6 >> 302 1.507 7.642 0 U 1.492e+03 0.00e+00 - 0 143 210 0 >># HG2/HE R6 >> 303 1.694 4.108 0 U 3.293e+03 0.00e+00 - 0 147 119 0 >># HG/HA L10 >> 304 1.694 0.860 0 U 2.146e+03 0.00e+00 - 0 147 148 0 >># HG/HD1 L10 >> 305 1.694 0.885 0 U 7.175e+03 0.00e+00 - 0 147 189 0 >># HG/HD2 L10 >> 306 1.694 1.596 0 U 3.214e+04 0.00e+00 - 0 147 146 0 >># HG/HB3 L10 >> 307 1.694 1.694 0 U 1.828e+05 0.00e+00 - 0 147 147 0 >># HG/HG L10 >> 308 1.694 7.704 0 U 4.731e+03 0.00e+00 - 0 147 118 0 >># HG/H L10 >> 309 1.694 1.758 0 U 2.788e+04 0.00e+00 - 0 147 145 0 >># HG/HB2 L10 >> 310 0.764 2.022 0 U -3.890e+03 0.00e+00 - 0 191 150 0 >># HG2/HB V11 >> 311 0.764 0.764 0 U 7.780e+05 0.00e+00 - 0 191 191 0 >># HG2/HG2 V11 >> 312 0.764 3.987 0 U 3.456e+03 0.00e+00 - 0 191 125 0 >># HG2/HA V11 >> 313 0.764 0.751 0 U -1.903e+05 0.00e+00 - 0 191 149 0 >># HG2/HG1 V11 >> 314 0.764 7.508 0 U 2.970e+03 0.00e+00 - 0 191 124 0 >># HG2/H V11 >> 315 3.847 1.398 0 U 6.098e+03 0.00e+00 - 0 109 134 0 >># HA/HG2 K8 >> 316 3.847 1.741 0 U 1.617e+03 0.00e+00 - 0 109 207 0 >># HA/HD K8 >> 317 3.847 1.877 0 U 8.220e+03 0.00e+00 - 0 109 133 0 >># HA/HB3 K8 >> 318 3.847 2.902 0 U 9.169e+02 0.00e+00 - 0 109 211 0 >># HA/HE K8 >> 319 3.847 3.847 0 U -1.092e+05 0.00e+00 - 0 109 109 0 >># HA/HA K8 >> 320 3.847 1.931 0 U 6.328e+03 0.00e+00 - 0 109 132 0 >># HA/HB2 K8 >> 321 3.847 0.751 0 U 7.224e+03 0.00e+00 - 0 109 149 0 >># HA K8/HG1 V11 >> 322 3.847 8.291 0 U 6.219e+03 0.00e+00 - 0 109 108 0 >># HA/H K8 >> 323 3.847 1.688 0 U 5.066e+03 0.00e+00 - 0 109 140 0 >># HA/HG3 K8 >> 324 7.077 3.103 0 U 5.648e+02 0.00e+00 - 0 218 123 0 >># HE/HB3 F7 >> 325 7.077 7.077 0 U 2.280e+05 0.00e+00 - 0 218 218 0 >># HE/HE F7 >> 326 7.077 4.240 0 U 5.118e+02 0.00e+00 - 0 218 113 0 >># HE/HA F7 >> 327 7.077 7.120 0 U 9.675e+04 0.00e+00 - 0 218 217 0 >># HE/HD F7 >> 328 7.077 8.323 0 U 1.012e+02 0.00e+00 - 0 218 112 0 >># HE/H F7 >> 329 7.077 3.236 0 U 8.627e+02 0.00e+00 - 0 218 122 0 >># HE/HB2 F7 >> 330 4.240 0.860 0 U 3.811e+02 0.00e+00 - 0 113 148 0 >># HA F7/HD1 L10 >> 331 4.240 0.885 0 U 2.148e+03 0.00e+00 - 0 113 189 0 >># HA F7/HD2 L10 >> 332 4.240 3.103 0 U 3.341e+03 0.00e+00 - 0 113 123 0 >># HA/HB3 F7 >> 333 4.240 1.596 0 U 1.658e+03 0.00e+00 - 0 113 146 0 >># HA F7/HB3 L10 >> 334 4.240 7.077 0 U -3.304e+02 0.00e+00 - 0 113 218 0 >># HA/HE F7 >> 335 4.240 4.240 0 U 7.095e+04 0.00e+00 - 0 113 113 0 >># HA/HA F7 >> 336 4.240 7.704 0 U 9.114e+02 0.00e+00 - 0 113 118 0 >># HA F7/H L10 >> 337 4.240 1.758 0 U 2.268e+03 0.00e+00 - 0 113 145 0 >># HA F7/HB2 L10 >> 338 4.240 8.291 0 U 9.172e+02 0.00e+00 - 0 113 108 0 >># HA F7/H K8 >> 339 4.240 7.120 0 U 2.088e+03 0.00e+00 - 0 113 217 0 >># HA/HD F7 >> 340 4.240 8.323 0 U 2.932e+03 0.00e+00 - 0 113 112 0 >># HA/H F7 >> 341 4.240 3.236 0 U 2.719e+03 0.00e+00 - 0 113 122 0 >># HA/HB2 F7 >> 342 1.798 8.055 0 U 6.166e+03 0.00e+00 - 0 136 114 0 >># HB3/H K5 >> 343 1.798 1.633 0 U 8.043e+03 0.00e+00 - 0 136 137 0 >># HB3/HD K5 >> 344 1.798 1.356 0 U 4.387e+03 0.00e+00 - 0 136 139 0 >># HB3/HG2 K5 >> 345 1.798 2.922 0 U 9.456e+02 0.00e+00 - 0 136 213 0 >># HB3/HE K5 >> 346 1.798 1.798 0 U 8.687e+04 0.00e+00 - 0 136 136 0 >># HB3/HB3 K5 >> 347 1.798 3.955 0 U 5.907e+03 0.00e+00 - 0 136 115 0 >># HB3/HA K5 >> 348 1.798 1.504 0 U 5.241e+03 0.00e+00 - 0 136 138 0 >># HB3/HG3 K5 >> 349 1.798 1.835 0 U 5.620e+04 0.00e+00 - 0 136 135 0 >># HB3/HB2 K5 >> 350 3.987 2.022 0 U 7.672e+03 0.00e+00 - 0 125 150 0 >># HA/HB V11 >> 351 3.987 0.764 0 U 9.871e+03 0.00e+00 - 0 125 191 0 >># HA/HG2 V11 >> 352 3.987 3.987 0 U 1.754e+05 0.00e+00 - 0 125 125 0 >># HA/HA V11 >> 353 3.987 0.751 0 U 1.521e+03 0.00e+00 - 0 125 149 0 >># HA/HG1 V11 >> 354 3.987 7.508 0 U 5.397e+03 0.00e+00 - 0 125 124 0 >># HA/H V11 >> 355 3.057 4.045 0 U 5.787e+03 0.00e+00 - 0 141 117 0 >># HD/HA R6 >> 356 3.057 1.441 0 U 4.854e+03 0.00e+00 - 0 141 144 0 >># HD/HG3 R6 >> 357 3.057 1.765 0 U 4.964e+03 0.00e+00 - 0 141 142 0 >># HD/HB R6 >> 358 3.057 7.897 0 U 9.465e+02 0.00e+00 - 0 141 116 0 >># HD/H R6 >> 359 3.057 1.507 0 U 5.511e+03 0.00e+00 - 0 141 143 0 >># HD/HG2 R6 >> 360 3.057 3.057 0 U 1.655e+05 0.00e+00 - 0 141 141 0 >># HD/HD R6 >> 361 3.057 7.642 0 U 3.648e+03 0.00e+00 - 0 141 210 0 >># HD/HE R6 >> 362 1.636 0.896 0 U 7.664e+03 0.00e+00 - 0 200 152 0 >># HG13/HG2 I9 >> 363 1.636 1.201 0 U 2.319e+04 0.00e+00 - 0 200 198 0 >># HG13/HG12 I9 >> 364 1.636 0.834 0 U 2.859e+03 0.00e+00 - 0 200 195 0 >># HG13/HD1 I9 >> 365 1.636 3.848 0 U 3.488e+03 0.00e+00 - 0 200 121 0 >># HG13/HA I9 >> 366 1.636 1.907 0 U 4.283e+03 0.00e+00 - 0 200 151 0 >># HG13/HB I9 >> 367 1.636 1.636 0 U 7.566e+05 0.00e+00 - 0 200 200 0 >># HG13/HG13 I9 >> 368 1.636 7.546 0 U 4.485e+03 0.00e+00 - 0 200 120 0 >># HG13/H I9 >> 369 7.546 4.045 0 U 2.676e+03 0.00e+00 - 0 120 117 0 >># H I9/HA R6 >> 370 7.546 0.896 0 U 5.123e+03 0.00e+00 - 0 120 152 0 >># H/HG2 I9 >> 371 7.546 1.201 0 U 4.813e+03 0.00e+00 - 0 120 198 0 >># H/HG12 I9 >> 372 7.546 0.834 0 U 2.683e+03 0.00e+00 - 0 120 195 0 >># H/HD1 I9 >> 373 7.546 3.848 0 U 1.202e+04 0.00e+00 - 0 120 121 0 >># H/HA I9 >> 374 7.546 1.907 0 U 1.753e+04 0.00e+00 - 0 120 151 0 >># H/HB I9 >> 375 7.546 1.636 0 U 9.507e+03 0.00e+00 - 0 120 200 0 >># H/HG13 I9 >> 376 7.546 7.546 0 U 1.233e+05 0.00e+00 - 0 120 120 0 >># H/H I9 >> 377 7.546 7.704 0 U 8.952e+03 0.00e+00 - 0 120 118 0 >># H I9/H L10 >> 378 7.546 8.291 0 U 6.630e+03 0.00e+00 - 0 120 108 0 >># H I9/H K8 >> 379 3.831 3.917 0 U 4.073e+04 0.00e+00 - 0 176 174 0 >># HA3/HA2 G1 >> 380 3.831 3.831 0 U 1.836e+05 0.00e+00 - 0 176 176 0 >># HA3/HA3 G1 >> 381 7.704 4.108 0 U 8.368e+03 0.00e+00 - 0 118 119 0 >># H/HA L10 >> 382 7.704 0.896 0 U 5.162e+03 0.00e+00 - 0 118 152 0 >># H L10/HG2 I9 >> 383 7.704 0.860 0 U 1.235e+03 0.00e+00 - 0 118 148 0 >># H/HD1 L10 >> 384 7.704 0.885 0 U 1.720e+03 0.00e+00 - 0 118 189 0 >># H/HD2 L10 >> 385 7.704 3.848 0 U 5.874e+03 0.00e+00 - 0 118 121 0 >># H L10/HA I9 >> 386 7.704 1.907 0 U 7.933e+03 0.00e+00 - 0 118 151 0 >># H L10/HB I9 >> 387 7.704 1.596 0 U 8.365e+03 0.00e+00 - 0 118 146 0 >># H/HB3 L10 >> 388 7.704 1.694 0 U 7.021e+03 0.00e+00 - 0 118 147 0 >># H/HG L10 >> 389 7.704 4.240 0 U 3.096e+03 0.00e+00 - 0 118 113 0 >># H L10/HA F7 >> 390 7.704 7.546 0 U 1.094e+04 0.00e+00 - 0 118 120 0 >># H L10/H I9 >> 391 7.704 7.704 0 U 1.179e+05 0.00e+00 - 0 118 118 0 >># H/H L10 >> 392 7.704 1.758 0 U 1.336e+04 0.00e+00 - 0 118 145 0 >># H/HB2 L10 >> 393 7.704 7.508 0 U 6.399e+03 0.00e+00 - 0 118 124 0 >># H L10/H V11 >> 394 7.261 3.109 0 U 3.966e+03 0.00e+00 - 0 215 160 0 >># HD/HB3 F2 >> 395 7.261 3.708 0 U 1.391e+03 0.00e+00 - 0 215 107 0 >># HD F2/HA I3 >> 396 7.261 7.311 0 U 2.310e+05 0.00e+00 - 0 215 216 0 >># HD/HE F2 >> 397 7.261 3.233 0 U 3.099e+03 0.00e+00 - 0 215 159 0 >># HD/HB2 F2 >> 398 7.261 7.261 0 U 4.362e+05 0.00e+00 - 0 215 215 0 >># HD/HD F2 >> 399 7.261 4.470 0 U 2.444e+03 0.00e+00 - 0 215 158 0 >># HD/HA F2 >> 400 1.931 1.398 0 U 4.542e+03 0.00e+00 - 0 132 134 0 >># HB2/HG2 K8 >> 401 1.931 1.741 0 U 3.528e+03 0.00e+00 - 0 132 207 0 >># HB2/HD K8 >> 402 1.931 1.877 0 U 4.113e+04 0.00e+00 - 0 132 133 0 >># HB2/HB3 K8 >> 403 1.931 2.902 0 U 4.670e+02 0.00e+00 - 0 132 211 0 >># HB2/HE K8 >> 404 1.931 3.847 0 U 6.060e+03 0.00e+00 - 0 132 109 0 >># HB2/HA K8 >> 405 1.931 1.931 0 U 6.432e+04 0.00e+00 - 0 132 132 0 >># HB2/HB2 K8 >> 406 1.931 8.291 0 U 4.303e+03 0.00e+00 - 0 132 108 0 >># HB2/H K8 >> 407 1.931 1.688 0 U 6.457e+03 0.00e+00 - 0 132 140 0 >># HB2/HG3 K8 >> 408 0.982 1.040 0 U 9.199e+03 0.00e+00 - 0 128 127 0 >># HG1/HG2 V4 >> 409 0.982 8.166 0 U 4.674e+03 0.00e+00 - 0 128 110 0 >># HG1/H V4 >> 410 0.982 8.055 0 U 3.981e+03 0.00e+00 - 0 128 114 0 >># HG1 V4/H K5 >> 411 0.982 3.643 0 U 1.478e+04 0.00e+00 - 0 128 111 0 >># HG1/HA V4 >> 412 0.982 2.073 0 U 3.106e+04 0.00e+00 - 0 128 126 0 >># HG1/HB V4 >> 413 0.982 2.902 0 U 5.211e+03 0.00e+00 - 0 128 211 0 >># HG1 V4/HE K8 >> 414 0.982 0.982 0 U 9.657e+05 0.00e+00 - 0 128 128 0 >># HG1/HG1 V4 >> 415 0.982 3.955 0 U 4.141e+03 0.00e+00 - 0 128 115 0 >># HG1 V4/HA K5 >> 416 3.955 8.055 0 U 4.424e+03 0.00e+00 - 0 115 114 0 >># HA/H K5 >> 417 3.955 1.633 0 U 1.672e+03 0.00e+00 - 0 115 137 0 >># HA/HD K5 >> 418 3.955 1.356 0 U 2.598e+03 0.00e+00 - 0 115 139 0 >># HA/HG2 K5 >> 419 3.955 7.897 0 U 1.716e+03 0.00e+00 - 0 115 116 0 >># HA K5/H R6 >> 420 3.955 2.922 0 U 8.375e+02 0.00e+00 - 0 115 213 0 >># HA/HE K5 >> 421 3.955 1.798 0 U 3.371e+03 0.00e+00 - 0 115 136 0 >># HA/HB3 K5 >> 422 3.955 0.982 0 U 1.761e+03 0.00e+00 - 0 115 128 0 >># HA K5/HG1 V4 >> 423 3.955 3.955 0 U 1.286e+05 0.00e+00 - 0 115 115 0 >># HA/HA K5 >> 424 3.955 8.291 0 U 1.582e+03 0.00e+00 - 0 115 108 0 >># HA K5/H K8 >> 425 3.955 1.504 0 U 2.623e+03 0.00e+00 - 0 115 138 0 >># HA/HG3 K5 >> 426 3.955 1.835 0 U 5.454e+03 0.00e+00 - 0 115 135 0 >># HA/HB2 K5 >> 427 3.955 1.688 0 U 2.469e+03 0.00e+00 - 0 115 140 0 >># HA K5/HG3 K8 >> 428 7.642 4.045 0 U 1.927e+03 0.00e+00 - 0 210 117 0 >># HE/HA R6 >> 429 7.642 1.441 0 U 2.870e+03 0.00e+00 - 0 210 144 0 >># HE/HG3 R6 >> 430 7.642 1.765 0 U 4.777e+03 0.00e+00 - 0 210 142 0 >># HE/HB R6 >> 431 7.642 7.897 0 U 8.070e+02 0.00e+00 - 0 210 116 0 >># HE/H R6 >> 432 7.642 1.507 0 U 3.238e+03 0.00e+00 - 0 210 143 0 >># HE/HG2 R6 >> 433 7.642 3.057 0 U 9.461e+03 0.00e+00 - 0 210 141 0 >># HE/HD R6 >> 434 7.642 7.642 0 U 1.591e+05 0.00e+00 - 0 210 210 0 >># HE/HE R6 >> 435 4.470 3.109 0 U -1.321e+01 0.00e+00 - 0 158 160 0 >># HA/HB3 F2 >> 436 4.470 8.055 0 U 1.650e+02 0.00e+00 - 0 158 114 0 >># HA F2/H K5 >> 437 4.470 7.311 0 U 4.598e+01 0.00e+00 - 0 158 216 0 >># HA/HE F2 >> 438 4.470 3.233 0 U 1.102e+02 0.00e+00 - 0 158 159 0 >># HA/HB2 F2 >> 439 4.470 7.261 0 U 2.038e+02 0.00e+00 - 0 158 215 0 >># HA/HD F2 >> 440 4.470 4.470 0 U 7.170e+03 0.00e+00 - 0 158 158 0 >># HA/HA F2 >> 441 4.470 8.601 0 U 2.858e+02 0.00e+00 - 0 158 106 0 >># HA F2/H I3 >> 442 1.758 4.108 0 U 6.803e+03 0.00e+00 - 0 145 119 0 >># HB2/HA L10 >> 443 1.758 0.860 0 U 2.054e+03 0.00e+00 - 0 145 148 0 >># HB2/HD1 L10 >> 444 1.758 0.885 0 U 1.168e+04 0.00e+00 - 0 145 189 0 >># HB2/HD2 L10 >> 445 1.758 1.596 0 U 3.703e+04 0.00e+00 - 0 145 146 0 >># HB2/HB3 L10 >> 446 1.758 1.694 0 U 3.896e+04 0.00e+00 - 0 145 147 0 >># HB2/HG L10 >> 447 1.758 4.240 0 U 3.218e+03 0.00e+00 - 0 145 113 0 >># HB2 L10/HA F7 >> 448 1.758 7.704 0 U 7.530e+03 0.00e+00 - 0 145 118 0 >># HB2/H L10 >> 449 1.758 1.758 0 U 1.357e+05 0.00e+00 - 0 145 145 0 >># HB2/HB2 L10 >> 450 1.758 7.508 0 U 2.653e+03 0.00e+00 - 0 145 124 0 >># HB2 L10/H V11 >> 451 0.751 2.022 0 U 3.396e+04 0.00e+00 - 0 149 150 0 >># HG1/HB V11 >> 452 0.751 0.764 0 U 8.863e+05 0.00e+00 - 0 149 191 0 >># HG1/HG2 V11 >> 453 0.751 3.847 0 U 6.551e+03 0.00e+00 - 0 149 109 0 >># HG1 V11/HA K8 >> 454 0.751 3.987 0 U 1.069e+04 0.00e+00 - 0 149 125 0 >># HG1/HA V11 >> 455 0.751 0.751 0 U 2.595e+05 0.00e+00 - 0 149 149 0 >># HG1/HG1 V11 >> 456 0.751 7.120 0 U 3.689e+03 0.00e+00 - 0 149 217 0 >># HG1 V11/HD F7 >> 457 0.751 7.508 0 U 9.982e+03 0.00e+00 - 0 149 124 0 >># HG1/H V11 >> 458 8.291 1.398 0 U 3.267e+03 0.00e+00 - 0 108 134 0 >># H/HG2 K8 >> 459 8.291 1.741 0 U 3.283e+03 0.00e+00 - 0 108 207 0 >># H/HD K8 >> 460 8.291 3.103 0 U 5.757e+03 0.00e+00 - 0 108 123 0 >># H K8/HB3 F7 >> 461 8.291 1.877 0 U 9.129e+03 0.00e+00 - 0 108 133 0 >># H/HB3 K8 >> 462 8.291 2.902 0 U 5.111e+02 0.00e+00 - 0 108 211 0 >># H/HE K8 >> 463 8.291 3.847 0 U 1.107e+04 0.00e+00 - 0 108 109 0 >># H/HA K8 >> 464 8.291 4.240 0 U 5.718e+03 0.00e+00 - 0 108 113 0 >># H K8/HA F7 >> 465 8.291 7.546 0 U 8.537e+03 0.00e+00 - 0 108 120 0 >># H K8/H I9 >> 466 8.291 1.931 0 U 1.430e+04 0.00e+00 - 0 108 132 0 >># H/HB2 K8 >> 467 8.291 3.955 0 U 3.612e+03 0.00e+00 - 0 108 115 0 >># H K8/HA K5 >> 468 8.291 8.291 0 U 1.406e+05 0.00e+00 - 0 108 108 0 >># H/H K8 >> 469 8.291 1.688 0 U 8.510e+03 0.00e+00 - 0 108 140 0 >># H/HG3 K8 >> 470 8.291 3.236 0 U 8.824e+03 0.00e+00 - 0 108 122 0 >># H K8/HB2 F7 >> 471 0.874 1.507 0 U 1.954e+04 0.00e+00 - 0 193 178 0 >># HD1/HG13 I3 >> 472 0.874 0.820 0 U -1.338e+04 0.00e+00 - 0 193 130 0 >># HD1/HG2 I3 >> 473 0.874 1.073 0 U 3.543e+04 0.00e+00 - 0 193 131 0 >># HD1/HG12 I3 >> 474 0.874 8.166 0 U 2.721e+03 0.00e+00 - 0 193 110 0 >># HD1 I3/H V4 >> 475 0.874 3.708 0 U 6.607e+03 0.00e+00 - 0 193 107 0 >># HD1/HA I3 >> 476 0.874 1.984 0 U 5.893e+03 0.00e+00 - 0 193 129 0 >># HD1/HB I3 >> 477 0.874 0.874 0 U 1.331e+06 0.00e+00 - 0 193 193 0 >># HD1/HD1 I3 >> 478 0.874 8.601 0 U 2.821e+03 0.00e+00 - 0 193 106 0 >># HD1/H I3 >> 479 1.504 8.055 0 U 1.579e+03 0.00e+00 - 0 138 114 0 >># HG3/H K5 >> 480 1.504 1.633 0 U 2.649e+04 0.00e+00 - 0 138 137 0 >># HG3/HD K5 >> 481 1.504 1.356 0 U 1.740e+04 0.00e+00 - 0 138 139 0 >># HG3/HG2 K5 >> 482 1.504 2.922 0 U 1.792e+03 0.00e+00 - 0 138 213 0 >># HG3/HE K5 >> 483 1.504 1.798 0 U 2.679e+03 0.00e+00 - 0 138 136 0 >># HG3/HB3 K5 >> 484 1.504 3.955 0 U 1.846e+03 0.00e+00 - 0 138 115 0 >># HG3/HA K5 >> 485 1.504 1.504 0 U 9.430e+04 0.00e+00 - 0 138 138 0 >># HG3/HG3 K5 >> 486 1.504 1.835 0 U 2.745e+03 0.00e+00 - 0 138 135 0 >># HG3/HB2 K5 >> 487 7.120 0.885 0 U 6.825e+03 0.00e+00 - 0 217 189 0 >># HD F7/HD2 L10 >> 488 7.120 3.103 0 U 1.236e+04 0.00e+00 - 0 217 123 0 >># HD/HB3 F7 >> 489 7.120 7.077 0 U -1.751e+05 0.00e+00 - 0 217 218 0 >># HD/HE F7 >> 490 7.120 4.240 0 U 1.443e+04 0.00e+00 - 0 217 113 0 >># HD/HA F7 >> 491 7.120 0.751 0 U 1.152e+04 0.00e+00 - 0 217 149 0 >># HD F7/HG1 V11 >> 492 7.120 7.120 0 U 1.602e+06 0.00e+00 - 0 217 217 0 >># HD/HD F7 >> 493 7.120 8.323 0 U 6.045e+03 0.00e+00 - 0 217 112 0 >># HD/H F7 >> 494 7.120 3.236 0 U 1.212e+04 0.00e+00 - 0 217 122 0 >># HD/HB2 F7 >> 495 8.323 4.045 0 U 3.579e+03 0.00e+00 - 0 112 117 0 >># H F7/HA R6 >> 496 8.323 3.643 0 U 2.974e+03 0.00e+00 - 0 112 111 0 >># H F7/HA V4 >> 497 8.323 3.103 0 U 1.369e+04 0.00e+00 - 0 112 123 0 >># H/HB3 F7 >> 498 8.323 7.897 0 U 8.237e+03 0.00e+00 - 0 112 116 0 >># H F7/H R6 >> 499 8.323 7.077 0 U -1.288e+02 0.00e+00 - 0 112 218 0 >># H/HE F7 >> 500 8.323 4.240 0 U 7.671e+03 0.00e+00 - 0 112 113 0 >># H/HA F7 >> 501 8.323 7.120 0 U 2.048e+03 0.00e+00 - 0 112 217 0 >># H/HD F7 >> 502 8.323 8.323 0 U 1.050e+05 0.00e+00 - 0 112 112 0 >># H/H F7 >> 503 8.323 3.236 0 U 9.821e+03 0.00e+00 - 0 112 122 0 >># H/HB2 F7 >> 504 1.835 8.055 0 U 6.079e+03 0.00e+00 - 0 135 114 0 >># HB2/H K5 >> 505 1.835 1.633 0 U 6.755e+03 0.00e+00 - 0 135 137 0 >># HB2/HD K5 >> 506 1.835 1.356 0 U 5.057e+03 0.00e+00 - 0 135 139 0 >># HB2/HG2 K5 >> 507 1.835 2.922 0 U 8.423e+02 0.00e+00 - 0 135 213 0 >># HB2/HE K5 >> 508 1.835 1.798 0 U 3.591e+04 0.00e+00 - 0 135 136 0 >># HB2/HB3 K5 >> 509 1.835 3.955 0 U 5.157e+03 0.00e+00 - 0 135 115 0 >># HB2/HA K5 >> 510 1.835 1.504 0 U 4.493e+03 0.00e+00 - 0 135 138 0 >># HB2/HG3 K5 >> 511 1.835 1.835 0 U 9.546e+04 0.00e+00 - 0 135 135 0 >># HB2/HB2 K5 >> 512 7.508 4.108 0 U 3.077e+03 0.00e+00 - 0 124 119 0 >># H V11/HA L10 >> 513 7.508 0.885 0 U 2.288e+03 0.00e+00 - 0 124 189 0 >># H V11/HD2 L10 >> 514 7.508 1.596 0 U 3.469e+03 0.00e+00 - 0 124 146 0 >># H V11/HB3 L10 >> 515 7.508 2.022 0 U 4.185e+03 0.00e+00 - 0 124 150 0 >># H/HB V11 >> 516 7.508 0.764 0 U 1.045e+04 0.00e+00 - 0 124 191 0 >># H/HG2 V11 >> 517 7.508 3.987 0 U 5.383e+03 0.00e+00 - 0 124 125 0 >># H/HA V11 >> 518 7.508 7.704 0 U 6.521e+03 0.00e+00 - 0 124 118 0 >># H V11/H L10 >> 519 7.508 1.758 0 U 3.199e+03 0.00e+00 - 0 124 145 0 >># H V11/HB2 L10 >> 520 7.508 0.751 0 U 2.206e+03 0.00e+00 - 0 124 149 0 >># H/HG1 V11 >> 521 7.508 7.508 0 U 1.130e+05 0.00e+00 - 0 124 124 0 >># H/H V11 >> 522 8.601 1.507 0 U 8.267e+03 0.00e+00 - 0 106 178 0 >># H/HG13 I3 >> 523 8.601 0.820 0 U 3.691e+03 0.00e+00 - 0 106 130 0 >># H/HG2 I3 >> 524 8.601 1.073 0 U 5.081e+03 0.00e+00 - 0 106 131 0 >># H/HG12 I3 >> 525 8.601 3.109 0 U 3.232e+03 0.00e+00 - 0 106 160 0 >># H I3/HB3 F2 >> 526 8.601 8.166 0 U 7.138e+03 0.00e+00 - 0 106 110 0 >># H I3/H V4 >> 527 8.601 3.708 0 U 6.506e+03 0.00e+00 - 0 106 107 0 >># H/HA I3 >> 528 8.601 1.984 0 U 1.550e+04 0.00e+00 - 0 106 129 0 >># H/HB I3 >> 529 8.601 3.233 0 U 1.759e+03 0.00e+00 - 0 106 159 0 >># H I3/HB2 F2 >> 530 8.601 4.470 0 U 6.098e+03 0.00e+00 - 0 106 158 0 >># H I3/HA F2 >> 531 8.601 0.874 0 U 2.714e+03 0.00e+00 - 0 106 193 0 >># H/HD1 I3 >> 532 8.601 8.601 0 U 9.951e+04 0.00e+00 - 0 106 106 0 >># H/H I3 >> 533 1.688 1.398 0 U 2.400e+04 0.00e+00 - 0 140 134 0 >># HG3/HG2 K8 >> 534 1.688 1.741 0 U 3.650e+04 0.00e+00 - 0 140 207 0 >># HG3/HD K8 >> 535 1.688 1.877 0 U 1.089e+04 0.00e+00 - 0 140 133 0 >># HG3/HB3 K8 >> 536 1.688 2.902 0 U 6.896e+03 0.00e+00 - 0 140 211 0 >># HG3/HE K8 >> 537 1.688 3.847 0 U 4.877e+03 0.00e+00 - 0 140 109 0 >># HG3/HA K8 >> 538 1.688 1.931 0 U 8.178e+03 0.00e+00 - 0 140 132 0 >># HG3/HB2 K8 >> 539 1.688 3.955 0 U 2.788e+03 0.00e+00 - 0 140 115 0 >># HG3 K8/HA K5 >> 540 1.688 8.291 0 U 4.962e+03 0.00e+00 - 0 140 108 0 >># HG3/H K8 >> 541 1.688 1.688 0 U 3.471e+05 0.00e+00 - 0 140 140 0 >># HG3/HG3 K8 >> 542 3.236 3.643 0 U 2.818e+03 0.00e+00 - 0 122 111 0 >># HB2 F7/HA V4 >> 543 3.236 3.103 0 U -6.436e+04 0.00e+00 - 0 122 123 0 >># HB2/HB3 F7 >> 544 3.236 7.077 0 U -1.746e+02 0.00e+00 - 0 122 218 0 >># HB2/HE F7 >> 545 3.236 4.240 0 U 3.273e+03 0.00e+00 - 0 122 113 0 >># HB2/HA F7 >> 546 3.236 8.291 0 U 1.883e+03 0.00e+00 - 0 122 108 0 >># HB2 F7/H K8 >> 547 3.236 7.120 0 U 2.436e+03 0.00e+00 - 0 122 217 0 >># HB2/HD F7 >> 548 3.236 8.323 0 U 5.573e+03 0.00e+00 - 0 122 112 0 >># HB2/H F7 >> 549 3.236 3.236 0 U 1.303e+05 0.00e+00 - 0 122 122 0 >># HB2/HB2 F7 >>; >> >> 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 . . 6313.131 Hz . . . 4.7 . . 34402 1 >> 2 . . H 1 H . . 6302.010 Hz . . . 4.7 . . 34402 1 >> >> stop_ >> >>save_ >> ; save_