data_30745 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of HSP1-NH2 antimicrobial peptide in presence of DPC-d38 micelles ; _BMRB_accession_number 30745 _BMRB_flat_file_name bmr30745.str _Entry_type original _Submission_date 2020-04-27 _Accession_date 2020-04-27 _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 Verly R. M. . 2 Gomes I. P. . 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" 54 "13C chemical shifts" 39 "15N chemical shifts" 13 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-31 original BMRB . stop_ _Original_release_date 2020-06-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Membrane interactions of the anuran antimicrobial peptide HSP1-NH 2: Different aspects of the association to anionic and zwitterionic biomimetic systems ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32828849 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gomes I. P. . 2 Santos T. L. . 3 Souza A. N. . 4 Nunes L. O. . 5 Cardoso G. A. . 6 Matos C. O. . 7 Costa L. M.F. . 8 Liao L. M. . 9 Resende J. M. . 10 Verly R. M. . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta Biomembr.' _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HSP1-NH2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label unit_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state no _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 1311.594 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 15 _Mol_residue_sequence ; GILDAIKAIAKAAGX ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ILE 3 LEU 4 ASP 5 ALA 6 ILE 7 LYS 8 ALA 9 ILE 10 ALA 11 LYS 12 ALA 13 ALA 14 GLY 15 NH2 stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_NH2 _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common 'AMINO GROUP' _BMRB_code NH2 _PDB_code NH2 _Standard_residue_derivative . _Molecular_mass 16.023 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N HN1 ? ? SING N HN2 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'polka-dot treefrog' 2499473 Eukaryota Metazoa Boana punctata 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 '1.0 mM HSP1-NH2, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.0 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name 'PROCHECK / PROCHECK-NMR' _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name QUEEN _Version . loop_ _Vendor _Address _Electronic_address 'Nabuurs, Spronk, Krieger, Maassen, Vriend and Vuister' . . 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 III' _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_2D_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 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 pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl carbons' ppm 0 internal direct . . . 1.0 DSS H 1 'methyl protons' ppm 0 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 NOESY' '2D 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 unit_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY H H 9.5985 0.0 1 2 1 1 GLY CA C 43.577 0.0 1 3 2 2 ILE H H 9.007 0.0 1 4 2 2 ILE HA H 4.06891666667 0.0 1 5 2 2 ILE HB H 1.77233333333 0.0 1 6 2 2 ILE HG12 H 1.207 0.0 2 7 2 2 ILE HG2 H 1.453 0.0 1 8 2 2 ILE HD1 H 0.955666666667 0.0 1 9 2 2 ILE CA C 58.382 0.0 1 10 2 2 ILE CB C 40.924 0.0 1 11 2 2 ILE CG1 C 24.272 0.0 1 12 2 2 ILE CD1 C 13.662 0.0 1 13 2 2 ILE N N 119.303 0.0 1 14 3 3 LEU H H 8.14116666667 0.0 1 15 3 3 LEU HA H 3.8995 0.0 1 16 3 3 LEU HB2 H 1.743 0.0 2 17 3 3 LEU HG H 0.992333333333 0.0 1 18 3 3 LEU HD1 H 0.834 0.0 2 19 3 3 LEU CA C 55.2 0.0 1 20 3 3 LEU CB C 43.4475 0.0 1 21 3 3 LEU CG C 24.534 0.0 1 22 3 3 LEU CD1 C 26.908 0.0 2 23 3 3 LEU N N 118.553 0.0 1 24 4 4 ASP H H 7.85175 0.0 1 25 4 4 ASP HA H 4.31475 0.0 1 26 4 4 ASP CA C 57.314 0.0 1 27 4 4 ASP CB C 40.401 0.0 1 28 4 4 ASP N N 120.688 0.0 1 29 5 5 ALA H H 7.84425 0.0 1 30 5 5 ALA HA H 4.20225 0.0 1 31 5 5 ALA HB H 1.58275 0.0 1 32 5 5 ALA CA C 55.159 0.0 1 33 5 5 ALA CB C 19.178 0.0 1 34 5 5 ALA N N 120.018 0.0 1 35 6 6 ILE H H 8.2285 0.0 1 36 6 6 ILE HA H 3.68114285714 0.0 1 37 6 6 ILE HB H 2.05483333333 0.0 1 38 6 6 ILE HG12 H 1.154 0.0 2 39 6 6 ILE HG2 H 0.92 0.0 1 40 6 6 ILE HD1 H 1.014375 0.0 1 41 6 6 ILE CA C 65.363 0.0 1 42 6 6 ILE CB C 37.549 0.0 1 43 6 6 ILE CG1 C 29.219 0.0 1 44 6 6 ILE CG2 C 17.501 0.0 1 45 6 6 ILE CD1 C 13.614 0.0 1 46 6 6 ILE N N 117.386 0.0 1 47 7 7 LYS H H 8.32275 0.0 1 48 7 7 LYS HA H 3.8738 0.0 1 49 7 7 LYS HB2 H 1.9335 0.0 2 50 7 7 LYS HG2 H 1.40176923077 0.0 2 51 7 7 LYS HD2 H 1.6508 0.0 2 52 7 7 LYS HE2 H 1.418 0.0 2 53 7 7 LYS HZ H 7.57125 0.0 1 54 7 7 LYS CA C 60.753 0.0 1 55 7 7 LYS CB C 29.819 0.0 1 56 7 7 LYS CG C 26.204 0.0 1 57 7 7 LYS CD C 29.23 0.0 1 58 7 7 LYS CE C 41.965 0.0 1 59 7 7 LYS N N 117.897 0.0 1 60 8 8 ALA H H 7.81675 0.0 1 61 8 8 ALA HA H 4.1625 0.0 1 62 8 8 ALA HB H 1.553 0.0 1 63 8 8 ALA CA C 54.152 0.0 1 64 8 8 ALA CB C 18.224 0.0 1 65 8 8 ALA N N 119.44 0.0 1 66 9 9 ILE H H 8.1484 0.0 1 67 9 9 ILE HA H 3.75657142857 0.0 1 68 9 9 ILE HB H 1.9965 0.0 1 69 9 9 ILE HG12 H 0.941 0.0 2 70 9 9 ILE HG2 H 0.95475 0.0 1 71 9 9 ILE HD1 H 0.883 0.0 1 72 9 9 ILE CA C 64.935 0.0 1 73 9 9 ILE CB C 38.058 0.0 1 74 9 9 ILE CG1 C 17.761 0.0 1 75 9 9 ILE CD1 C 12.856 0.0 1 76 9 9 ILE N N 117.545 0.0 1 77 10 10 ALA H H 8.397 0.0 1 78 10 10 ALA HA H 3.97725 0.0 1 79 10 10 ALA HB H 1.47425 0.0 1 80 10 10 ALA CA C 55.261 0.0 1 81 10 10 ALA CB C 19.032 0.0 1 82 10 10 ALA N N 118.493 0.0 1 83 11 11 LYS H H 8.07 0.0 1 84 11 11 LYS HA H 4.02758333333 0.0 1 85 11 11 LYS HB2 H 1.93625 0.0 2 86 11 11 LYS HG2 H 1.6195 0.0 2 87 11 11 LYS CA C 59.002 0.0 1 88 11 11 LYS CB C 32.5205 0.0 1 89 11 11 LYS CG C 26.208 0.0 1 90 11 11 LYS N N 119.236 0.0 1 91 12 12 ALA H H 7.824 0.0 1 92 12 12 ALA HA H 4.21025 0.0 1 93 12 12 ALA HB H 1.547 0.0 1 94 12 12 ALA CA C 53.698 0.0 1 95 12 12 ALA CB C 18.538 0.0 1 96 12 12 ALA N N 120.286 0.0 1 97 13 13 ALA H H 8.16025 0.0 1 98 13 13 ALA HA H 4.1745 0.0 1 99 13 13 ALA HB H 1.44725 0.0 1 100 13 13 ALA CA C 55.186 0.0 1 101 13 13 ALA CB C 18.516 0.0 1 102 13 13 ALA N N 119.831 0.0 1 103 14 14 GLY HA3 H 3.898 0.0 2 104 14 14 GLY CA C 45.038 0.0 1 105 14 14 GLY N N 111.071 0.0 1 106 15 15 NH2 HN1 H 7.88075 0.0 1 stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details . _Experiment_label '2D 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 30745 >> _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.Chem_shift_reference_ID 1 >> _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 >> _Spectral_peak_list.Experiment_ID 1 >> _Spectral_peak_list.Experiment_name '2D 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 >>; >>label dataset sw sf >>1Hx 1Hy >>noesy-dpc-03.nv >>{6009.62 } {6009.62 } >>{500.1320 } {500.1320 } >> 1Hx.L 1Hx.P 1Hx.W 1Hx.B 1Hx.E 1Hx.J 1Hx.U 1Hy.L 1Hy.P 1Hy.W 1Hy.B 1Hy.E 1Hy.J 1Hy.U vol int stat comment flag0 >>0 {4.HN} 7.866 0.061 0.061 ? 0.000 {?} {4.HB1} 2.739 0.367 0.145 ? 0.000 {?} 8.94908 8.94908 0 {?} 0 >>1 {4.HN} 7.850 0.047 0.047 ++ 0.000 {?} {4.HA} 4.313 0.043 0.043 ++ 0.000 {?} 16.64226 16.64226 0 {?} 0 >>2 {14.HN} 7.887 0.068 0.068 ? 0.000 {?} {14.HA2} 3.953 0.054 0.044 ++ 0.000 {?} 14.56904 14.56904 0 {?} 0 >>3 {12.HN} 7.834 nan 0.035 ? 0.000 {?} {12.HA} 4.213 0.339 0.068 ? 0.000 {?} 8.60641 8.60641 0 {?} 0 >>4 {13.HN} 8.169 0.031 0.068 ++ 0.000 {?} {13.HA} 4.175 0.033 0.064 ++ 0.000 {?} 77.17121 77.17121 0 {?} 0 >>5 {11.HN} 8.082 0.025 0.045 ? 0.000 {?} {12.HN} 7.832 0.047 0.078 ++ 0.000 {?} 68.21216 68.21216 0 {?} 0 >>6 {14.HN} 7.887 0.058 0.071 ++ 0.000 {?} {13.HA} 4.181 0.045 0.060 ++ 0.000 {?} 45.90742 45.90742 0 {?} 0 >>7 {13.HN} 8.084 0.046 0.044 ++ 0.000 {?} {11.HA} 4.180 0.097 0.087 ++ 0.000 {?} 25.07659 25.07659 0 {?} 0 >>8 {12.HN} 7.827 0.032 0.048 ++ 0.000 {?} {11.HN} 8.084 0.039 0.065 ++ 0.000 {?} 64.88980 64.88980 0 {?} 0 >>9 {5.HN} 7.871 0.028 0.035 ++ 0.000 {?} {5.HA} 4.213 0.050 0.066 ++ 0.000 {?} 42.39100 42.39100 0 {?} 0 >>10 {5.HN} 7.867 0.044 0.044 ? 0.000 {?} {4.HA} 4.313 0.111 0.075 ++ 0.000 {?} 18.03503 18.03503 0 {?} 0 >>11 {8.HN} 7.836 0.026 0.049 ++ 0.000 {?} {8.HA} 4.164 0.040 0.069 ++ 0.000 {?} 28.55079 28.55079 0 {?} 0 >>12 {5.HN} 7.862 0.026 0.029 ? 0.000 {?} {2.HA} 4.075 0.080 0.064 ++ 0.000 {?} 9.72587 9.72587 0 {?} 0 >>13 {3.HN} 8.241 0.011 0.018 ++ 0.000 {?} {3.HA} 3.877 0.021 0.036 ++ 0.000 {?} 31.84400 31.84400 0 {?} 0 >>14 {3.HN} 8.246 0.035 0.050 ? 0.000 {?} {4.HN} 7.836 0.034 0.052 ++ 0.000 {?} 18.85753 18.85753 0 {?} 0 >>15 {4.HN} 7.865 0.016 0.024 ++ 0.000 {?} {3.HN} 8.272 0.022 0.034 ++ 0.000 {?} 32.09948 32.09948 0 {?} 0 >>16 {6.HN} 8.244 0.023 0.039 ? 0.000 {?} {6.HA} 3.675 0.047 0.066 ++ 0.000 {?} 26.01795 26.01795 1 {?} 0 >>17 {6.HN} 8.718 0.052 0.052 ? 0.000 {?} {3.HA} 3.967 0.058 0.056 ++ 0.000 {?} 11.65888 11.65888 -1 {?} 0 >>18 {7.HN} 8.324 0.018 0.037 ++ 0.000 {?} {7.HA} 3.873 0.032 0.064 ++ 0.000 {?} 55.81388 55.81388 0 {?} 0 >>19 {7.HN} 8.324 0.018 0.029 ++ 0.000 {?} {6.HA} 3.679 0.042 0.050 ++ 0.000 {?} 18.30249 18.30249 0 {?} 0 >>20 {2.HN} 9.022 0.019 0.043 ? 0.000 {?} {2.HA} 4.082 0.024 0.068 ? 0.000 {?} 44.25867 44.25867 0 {?} 0 >>21 {3.HN} 8.245 0.015 0.033 ? 0.000 {?} {2.HA} 4.080 0.053 0.060 ++ 0.000 {?} 15.30268 15.30268 0 {?} 0 >>22 {10.HN} 8.411 0.037 0.042 ++ 0.000 {?} {11.HN} 8.078 0.048 0.059 ++ 0.000 {?} 17.76829 17.76829 0 {?} 0 >>23 {11.HN} 8.085 0.034 0.034 ? 0.000 {?} {10.HN} 8.412 0.177 0.071 ? 0.000 {?} 7.37362 7.37362 0 {?} 0 >>24 {8.HN} 7.838 0.039 0.039 ? 0.000 {?} {7.HA} 3.874 0.063 0.058 ++ 0.000 {?} 9.99669 9.99669 0 {?} 0 >>25 {7.HN} 8.332 0.090 0.063 ? 0.000 {?} {8.HN} 7.839 0.134 0.089 ++ 0.000 {?} 7.34649 7.34649 0 {?} 0 >>26 {8.HN} 7.844 0.081 0.061 ++ 0.000 {?} {7.HN} 8.323 0.093 0.072 ++ 0.000 {?} 9.27888 9.27888 0 {?} 0 >>27 {14.HN} 7.880 0.054 0.054 ? 0.000 {?} {13.HN} 8.174 0.070 0.074 ++ 0.000 {?} 14.27192 14.27192 0 {?} 0 >>28 {13.HN} 8.168 0.030 0.057 ? 0.000 {?} {14.HN} 7.890 0.037 0.051 ++ 0.000 {?} 22.53889 22.53889 0 {?} 0 >>29 {4.HN} 7.797 0.032 0.032 ? 0.000 {?} {5.HN} 7.881 0.020 0.053 ++ 0.000 {?} 60.96284 60.96284 -1 {?} 0 >>30 {10.HN} 8.413 0.024 0.054 ? 0.000 {?} {9.HN} 8.152 0.063 0.079 ++ 0.000 {?} 12.86166 12.86166 0 {?} 0 >>31 {9.HN} 8.154 0.045 0.045 ? 0.000 {?} {10.HN} 8.412 0.063 0.072 ++ 0.000 {?} 11.42986 11.42986 0 {?} 0 >>32 {5.HN} 7.887 0.014 0.062 ? 0.000 {?} {4.HN} 7.794 0.026 0.043 ++ 0.000 {?} 23.25611 23.25611 -1 {?} 0 >>33 {10.HN} 8.411 0.023 0.052 ? 0.000 {?} {10.HA} 3.977 0.040 0.084 ++ 0.000 {?} 54.22083 54.22083 0 {?} 0 >>34 {9.HN} 8.157 0.054 0.054 ? 0.000 {?} {9.HA} 3.744 0.058 0.096 ++ 0.000 {?} 18.75227 18.75227 0 {?} 0 >>35 {6.HN} 8.246 0.045 0.051 ++ 0.000 {?} {5.HN} 7.884 0.038 0.042 ++ 0.000 {?} 12.86166 12.86166 0 {?} 0 >>36 {5.HN} 7.864 0.043 0.043 ? 0.000 {?} {6.HN} 8.229 0.069 0.062 ++ 0.000 {?} 10.72236 10.72236 0 {?} 0 >>37 {2.HN} 9.022 0.018 0.035 ++ 0.000 {?} {2.HB} 1.941 0.035 0.068 ++ 0.000 {?} 43.05474 43.05474 0 {?} 0 >>38 {10.HN} 8.416 0.027 0.062 ++ 0.000 {?} {10.HB1} 1.482 0.039 0.090 ++ 0.000 {?} 85.24989 85.24989 0 {?} 0 >>39 {7.HN} 8.325 0.023 0.031 ? 0.000 {?} {7.HG2} 1.388 0.039 0.056 ++ 0.000 {?} 18.72028 18.72028 0 {?} 0 >>40 {6.HN} 8.247 0.028 0.053 ++ 0.000 {?} {6.HB} 2.056 0.055 0.093 ++ 0.000 {?} 19.09359 19.09359 0 {?} 0 >>41 {3.HN} 8.037 0.009 0.009 ? 0.000 {?} {3.HB1} 1.872 0.036 0.036 ++ 0.000 {?} 8.62462 8.62462 -1 {?} 0 >>42 {5.HN} 7.869 0.018 0.050 ? 0.000 {?} {5.HB1} 1.581 0.045 0.092 ++ 0.000 {?} 64.38083 64.38083 0 {?} 0 >>43 {12.HN} 7.827 0.011 0.035 ? 0.000 {?} {12.HB1} 1.470 0.025 0.071 ++ 0.000 {?} 112.66859 112.66859 0 {?} 0 >>44 {8.HN} 7.832 0.029 0.042 ? 0.000 {?} {8.HB1} 1.552 0.043 0.104 ++ 0.000 {?} 78.85336 78.85336 0 {?} 0 >>45 {11.HN} 8.086 0.016 0.055 ? 0.000 {?} {11.HA} 4.019 0.054 0.082 ++ 0.000 {?} 73.79111 73.79111 0 {?} 0 >>46 {10.HN} 8.407 0.026 0.033 ++ 0.000 {?} {7.HA} 3.867 0.052 0.057 ++ 0.000 {?} 18.30249 18.30249 0 {?} 0 >>47 {10.HN} 8.411 0.026 0.028 ++ 0.000 {?} {9.HA} 3.747 0.054 0.058 ++ 0.000 {?} 16.52552 16.52552 0 {?} 0 >>48 {10.HN} 8.408 0.024 0.024 ? 0.000 {?} {6.HA} 3.675 0.081 0.035 ? 0.000 {?} 8.62050 8.62050 0 {?} 0 >>49 {12.HN} 7.830 0.024 0.031 ++ 0.000 {?} {11.HA} 4.018 0.056 0.077 ++ 0.000 {?} 24.61620 24.61620 0 {?} 0 >>50 {12.HN} 7.827 0.031 0.039 ++ 0.000 {?} {9.HA} 3.751 0.061 0.074 ++ 0.000 {?} 19.79716 19.79716 0 {?} 0 >>51 {?8.HB1} 1.590 0.031 0.046 ? 0.000 {?} {?7.HA} 3.875 0.045 0.075 ++ 0.000 {?} 37.76704 37.76704 0 {?} 0 >>52 {?7.HA} 3.875 0.050 0.050 ? 0.000 {?} {?8.HB1} 1.583 0.048 0.075 ++ 0.000 {?} 59.51037 59.51037 0 {?} 0 >>53 {13.HN} 8.169 0.033 0.072 ? 0.000 {?} {13.HB1} 1.473 0.037 0.082 ++ 0.000 {?} 173.54181 173.54181 0 {?} 0 >>54 {3.HN} 8.243 0.053 0.054 ++ 0.000 {?} {3.HB1} 1.465 0.034 0.037 ++ 0.000 {?} 15.23359 15.23359 0 {?} 0 >>55 {7.HZ1} 7.445 0.015 0.015 ? 0.000 {?} {7.HE1} 2.952 0.047 0.077 ++ 0.000 {?} 44.85083 44.85083 -1 {?} 0 >>56 {7.HZ1} 7.474 0.009 0.015 ? 0.000 {?} {7.HD1} 1.688 0.064 0.058 ++ 0.000 {?} 10.47056 10.47056 -1 {?} 0 >>57 {11.HN} 8.084 0.012 0.044 ? 0.000 {?} {11.HB1} 1.934 0.036 0.075 ++ 0.000 {?} 28.90059 28.90059 0 {?} 0 >>58 {2.HN} 9.028 0.028 0.036 ++ 0.000 {?} {2.HG12} 1.780 0.054 0.068 ++ 0.000 {?} 26.21249 26.21249 0 {?} 0 >>59 {2.HN} 9.023 0.047 0.040 ? 0.000 {?} {2.HG11} 1.657 0.111 0.088 ? 0.000 {?} 12.77019 12.77019 0 {?} 0 >>60 {2.HN} 9.029 0.043 0.055 ++ 0.000 {?} {2.HD11} 0.974 0.057 0.088 ++ 0.000 {?} 27.39500 27.39500 0 {?} 0 >>61 {?3.HN} 8.250 0.052 0.078 ++ 0.000 {?} {?2.HD11} 0.941 0.055 0.086 ++ 0.000 {?} 23.71833 23.71833 0 {?} 0 >>62 {?10.HN} 8.413 0.032 0.046 ++ 0.000 {?} {?11.HB2} 1.917 0.032 0.074 ? 0.000 {?} 16.35051 16.35051 0 {?} 0 >>63 {?7.HN} 8.325 0.028 0.045 ++ 0.000 {?} {?11.HB1} 1.908 0.042 0.072 ++ 0.000 {?} 33.74239 33.74239 0 {?} 0 >>64 {?7.HN} 8.326 0.016 0.020 ++ 0.000 {?} {?9.HG11} 1.582 0.050 0.061 ++ 0.000 {?} 21.39661 21.39661 0 {?} 0 >>65 {?11.HN} 8.083 0.014 0.024 ++ 0.000 {?} {?7.HB1} 1.717 0.029 0.039 ++ 0.000 {?} 14.79834 14.79834 0 {?} 0 >>66 {12.HN} 7.830 0.030 0.054 ? 0.000 {?} {11.HB1} 1.933 0.063 0.110 ++ 0.000 {?} 26.55058 26.55058 0 {?} 0 >>67 {?5.HN} 7.866 0.015 0.021 ++ 0.000 {?} {?6.HB} 2.044 0.055 0.071 ++ 0.000 {?} 25.48353 25.48353 0 {?} 0 >>68 {2.HA} 4.084 0.012 0.020 ? 0.000 {?} {2.HN} 9.026 0.023 0.042 ++ 0.000 {?} 39.49155 39.49155 0 {?} 0 >>69 {10.HA} 3.977 0.014 0.040 ? 0.000 {?} {10.HN} 8.413 0.034 0.072 ? 0.000 {?} 36.11618 36.11618 0 {?} 0 >>70 {7.HA} 3.880 0.050 0.050 ? 0.000 {?} {7.HN} 8.324 0.056 0.065 ++ 0.000 {?} 14.08256 14.08256 0 {?} 0 >>71 {6.HA} 3.680 0.042 0.048 ? 0.000 {?} {6.HN} 8.246 0.053 0.062 ++ 0.000 {?} 20.13649 20.13649 0 {?} 0 >>72 {9.HA} 3.752 0.041 0.054 ? 0.000 {?} {9.HN} 8.153 0.048 0.072 ++ 0.000 {?} 30.29468 30.29468 0 {?} 0 >>73 {14.HA1} 3.961 0.029 0.069 ? 0.000 {?} {14.HN} 7.888 0.035 0.073 ++ 0.000 {?} 67.02821 67.02821 0 {?} 0 >>74 {11.HA} 4.027 0.019 0.051 ? 0.000 {?} {11.HN} 8.087 0.036 0.073 ++ 0.000 {?} 39.47403 39.47403 0 {?} 0 >>75 {3.HA} 3.875 0.024 0.027 ? 0.000 {?} {3.HN} 8.240 0.028 0.036 ++ 0.000 {?} 9.51215 9.51215 0 {?} 0 >>76 {13.HA} 4.183 0.041 0.057 ? 0.000 {?} {13.HN} 8.167 0.037 0.059 ++ 0.000 {?} 29.33895 29.33895 0 {?} 0 >>77 {8.HA} 4.166 0.022 0.022 ? 0.000 {?} {8.HN} 7.842 0.044 0.068 ++ 0.000 {?} 25.14622 25.14622 0 {?} 0 >>78 {12.HA} 4.194 0.015 0.021 ? 0.000 {?} {12.HN} 7.838 0.034 0.054 ++ 0.000 {?} 18.80498 18.80498 0 {?} 0 >>79 {5.HA} 4.222 0.015 0.021 ? 0.000 {?} {5.HN} 7.844 0.057 0.061 ++ 0.000 {?} 17.90922 17.90922 0 {?} 0 >>80 {4.HA} 4.323 0.031 0.031 ? 0.000 {?} {4.HN} 7.861 0.056 0.050 ++ 0.000 {?} 6.01431 6.01431 0 {?} 0 >>81 {9.HA} 3.751 0.045 0.045 ? 0.000 {?} {10.HN} 8.410 0.052 0.055 ++ 0.000 {?} 13.58204 13.58204 0 {?} 0 >>82 {7.HA} 3.878 0.031 0.038 ? 0.000 {?} {10.HN} 8.413 0.048 0.059 ++ 0.000 {?} 17.69903 17.69903 0 {?} 0 >>83 {6.HA} 3.681 0.044 0.044 ? 0.000 {?} {9.HN} 8.157 0.065 0.060 ++ 0.000 {?} 10.95378 10.95378 0 {?} 0 >>84 {6.HA} 3.676 0.040 0.040 ? 0.000 {?} {10.HN} 8.411 0.072 0.043 ++ 0.000 {?} 8.06564 8.06564 0 {?} 0 >>85 {9.HA} 3.751 0.022 0.047 ? 0.000 {?} {12.HN} 7.829 0.041 0.057 ++ 0.000 {?} 14.44617 14.44617 0 {?} 0 >>86 {7.HA} 3.875 0.027 0.027 ? 0.000 {?} {9.HN} 8.139 0.066 0.066 ++ 0.000 {?} 9.26906 9.26906 0 {?} 0 >>87 {11.HA} 4.024 0.034 0.034 ? 0.000 {?} {14.HN} 7.881 0.048 0.044 ++ 0.000 {?} 9.67254 9.67254 0 {?} 0 >>88 {11.HA} 4.022 0.032 0.032 ? 0.000 {?} {12.HN} 7.830 0.037 0.058 ++ 0.000 {?} 18.26073 18.26073 0 {?} 0 >>89 {7.HA} 3.880 0.049 0.053 ? 0.000 {?} {8.HN} 7.850 0.081 0.086 ++ 0.000 {?} 14.71186 14.71186 0 {?} 0 >>90 {4.HB1} 2.729 0.091 0.126 ? 0.000 {?} {4.HA} 4.310 0.046 0.076 ++ 0.000 {?} 53.53090 53.53090 0 {?} 0 >>91 {13.HB1} 1.478 0.016 0.029 ? 0.000 {?} {13.HA} 4.182 0.060 0.112 ++ 0.000 {?} 105.00390 105.00390 0 {?} 0 >>92 {5.HB1} 1.622 0.011 0.034 ? 0.000 {?} {5.HA} 4.200 0.056 0.092 ++ 0.000 {?} 105.91106 105.91106 0 {?} 0 >>93 {12.HB1} 1.530 0.009 0.045 ? 0.000 {?} {12.HA} 4.196 0.047 0.098 ++ 0.000 {?} 285.44141 285.44141 0 {?} 0 >>94 {8.HB1} 1.546 0.010 0.016 ? 0.000 {?} {8.HA} 4.101 0.046 0.077 ++ 0.000 {?} 66.46099 66.46099 -1 {?} 0 >>95 {10.HB1} 1.456 0.020 0.040 ? 0.000 {?} {10.HA} 3.974 0.033 0.076 ++ 0.000 {?} 144.49043 144.49043 0 {?} 0 >>96 {11.HD1} 1.508 0.019 0.036 ? 0.000 {?} {11.HA} 4.027 0.048 0.081 ++ 0.000 {?} 194.75464 194.75464 0 {?} 0 >>97 {7.HG2} 1.384 0.046 0.072 ? 0.000 {?} {7.HA} 3.876 0.063 0.049 ++ 0.000 {?} 14.99018 14.99018 0 {?} 0 >>98 {7.HD1} 1.724 0.065 0.111 ? 0.000 {?} {7.HA} 3.862 0.030 0.040 ++ 0.000 {?} 26.16599 26.16599 0 {?} 0 >>99 {7.HB2} 1.936 0.094 0.094 ? 0.000 {?} {7.HA} 3.865 0.038 0.049 ++ 0.000 {?} 38.94941 38.94941 0 {?} 0 >>100 {9.HB} 2.003 0.048 0.074 ? 0.000 {?} {9.HA} 3.748 0.061 0.061 ++ 0.000 {?} 20.68597 20.68597 0 {?} 0 >>101 {6.HB} 1.992 0.028 0.060 ? 0.000 {?} {6.HA} 3.675 0.070 0.056 ++ 0.000 {?} 17.92040 17.92040 0 {?} 0 >>102 {3.HB1} 1.934 0.064 0.092 ? 0.000 {?} {3.HA} 3.899 0.007 0.045 ? 0.000 {?} 21.42289 21.42289 0 {?} 0 >>103 {11.HB2} 1.934 0.095 0.095 ? 0.000 {?} {11.HA} 4.030 0.057 0.099 ++ 0.000 {?} 90.64062 90.64062 0 {?} 0 >>104 {2.HB} 1.770 0.033 0.072 ? 0.000 {?} {2.HA} 4.079 0.063 0.088 ++ 0.000 {?} 38.64624 38.64624 0 {?} 0 >>105 {11.HG1} 1.717 0.042 0.051 ? 0.000 {?} {11.HA} 4.023 0.029 0.071 ? 0.000 {?} 29.41817 29.41817 0 {?} 0 >>106 {2.HG11} 1.659 0.059 0.059 ? 0.000 {?} {2.HA} 4.078 0.077 0.072 ++ 0.000 {?} 22.78069 22.78069 0 {?} 0 >>107 {11.HG2} 1.605 0.036 0.054 ? 0.000 {?} {11.HA} 4.022 0.043 0.076 ++ 0.000 {?} 89.21680 89.21680 0 {?} 0 >>108 {2.HB} 1.893 0.045 0.076 ? 0.000 {?} {3.HA} 4.081 0.046 0.052 ++ 0.000 {?} 26.25113 26.25113 -1 {?} 0 >>109 {2.HD11} 0.987 0.045 0.055 ? 0.000 {?} {2.HA} 4.083 0.052 0.099 ++ 0.000 {?} 88.83311 88.83311 0 {?} 0 >>110 {2.HG21} 0.924 0.057 0.057 ? 0.000 {?} {2.HA} 4.083 0.050 0.104 ++ 0.000 {?} 109.45570 109.45570 0 {?} 0 >>111 {3.HG} 0.985 0.036 0.067 ? 0.000 {?} {3.HA} 3.903 0.028 0.049 ++ 0.000 {?} 89.04044 89.04044 0 {?} 0 >>112 {9.HG21} 0.935 0.040 0.056 ? 0.000 {?} {9.HA} 3.750 0.041 0.083 ++ 0.000 {?} 96.41864 96.41864 0 {?} 0 >>113 {6.HG21} 0.924 0.061 0.061 ? 0.000 {?} {6.HA} 3.670 0.038 0.076 ++ 0.000 {?} 63.30100 63.30100 0 {?} 0 >>114 {9.HD11} 0.866 0.030 0.059 ? 0.000 {?} {9.HA} 3.751 0.036 0.064 ++ 0.000 {?} 45.52094 45.52094 0 {?} 0 >>115 {6.HD11} 0.861 0.032 0.063 ++ 0.000 {?} {6.HA} 3.666 0.033 0.063 ++ 0.000 {?} 49.47029 49.47029 0 {?} 0 >>116 {9.HN} 8.157 0.043 0.074 ? 0.000 {?} {9.HG11} 1.585 0.088 0.068 ++ 0.000 {?} 11.86388 11.86388 0 {?} 0 >>117 {7.HE1} 2.965 0.039 0.051 ++ 0.000 {?} {7.HZ1} 7.456 0.059 0.079 ++ 0.000 {?} 36.91818 36.91818 -1 {?} 0 >>118 {4.HB1} 2.741 0.075 0.126 ? 0.000 {?} {4.HN} 7.865 0.087 0.084 ++ 0.000 {?} 19.85611 19.85611 0 {?} 0 >>119 {7.HD1} 1.704 0.021 0.026 ? 0.000 {?} {7.HZ1} 7.506 0.081 0.117 ? 0.000 {?} 5.52821 5.52821 -1 {?} 0 >>120 {5.HB1} 1.529 0.011 0.042 ? 0.000 {?} {5.HN} 7.879 0.038 0.087 ++ 0.000 {?} 33.84528 33.84528 0 {?} 0 >>121 {12.HB1} 1.505 0.014 0.069 ? 0.000 {?} {12.HN} 7.812 0.025 0.050 ++ 0.000 {?} 36.52570 36.52570 0 {?} 0 >>122 {10.HB1} 1.485 0.015 0.044 ? 0.000 {?} {10.HN} 8.413 0.042 0.090 ++ 0.000 {?} 6.99652 6.99652 0 {?} 0 >>123 {2.HB} 1.874 0.018 0.018 ? 0.000 {?} {2.HN} 8.782 0.024 0.039 ++ 0.000 {?} 21.81644 21.81644 0 {?} 0 >>124 {8.HB1} 1.555 0.011 0.042 ? 0.000 {?} {8.HN} 7.829 0.038 0.087 ++ 0.000 {?} 77.75351 77.75351 0 {?} 0 >>125 {13.HB1} 1.464 0.015 0.044 ? 0.000 {?} {13.HN} 7.892 0.033 0.067 ++ 0.000 {?} 49.09396 49.09396 0 {?} 0 >>126 {3.HB2} 1.454 0.027 0.027 ? 0.000 {?} {3.HN} 8.091 0.047 0.086 ++ 0.000 {?} 163.58420 163.58420 0 {?} 0 >>127 {7.HB2} 1.538 0.029 0.030 ? 0.000 {?} {7.HN} 8.181 0.048 0.075 ++ 0.000 {?} 20.56351 20.56351 0 {?} 0 >>128 {6.HB} 2.000 0.028 0.039 ? 0.000 {?} {6.HN} 8.242 0.049 0.068 ++ 0.000 {?} 20.98631 20.98631 0 {?} 0 >>129 {11.HB1} 1.942 0.019 0.045 ? 0.000 {?} {11.HN} 8.082 0.065 0.073 ++ 0.000 {?} 18.18552 18.18552 0 {?} 0 >>130 {3.HB1} 1.894 0.012 0.051 ? 0.000 {?} {3.HN} 8.088 0.038 0.090 ++ 0.000 {?} 22.72792 22.72792 0 {?} 0 >>131 {?11.HB2} 1.950 0.029 0.051 ? 0.000 {?} {?10.HN} 8.408 0.090 0.075 ++ 0.000 {?} 17.54323 17.54323 1 {?} 0 >>132 {3.HB1} 1.870 0.037 0.061 ? 0.000 {?} {6.HN} 8.245 0.071 0.068 ++ 0.000 {?} 17.02018 17.02018 0 {?} 0 >>133 {4.HB1} 3.011 0.011 0.015 ? 0.000 {?} {5.HN} 7.750 0.039 0.026 ++ 0.000 {?} 12.04077 12.04077 -1 {?} 0 >>134 {5.HN} 7.878 0.017 0.020 ++ 0.000 {?} {4.HB1} 2.875 0.084 0.090 ++ 0.000 {?} 21.65105 21.65105 -1 {?} 0 >>135 {3.HA} 3.876 0.032 0.073 ? 0.000 {?} {3.HB2} 1.755 0.041 0.044 ++ 0.000 {?} 20.71896 20.71896 0 {?} 0 >>136 {6.HB} 2.044 0.044 0.044 ? 0.000 {?} {2.HA} 4.076 0.092 0.071 ++ 0.000 {?} 14.45651 14.45651 -1 {?} 0 >>137 {5.HA} 4.389 0.020 0.034 ? 0.000 {?} {8.HB1} 1.709 0.022 0.047 ? 0.000 {?} 61.80879 61.80879 -1 {?} 0 >>138 {8.HB1} 1.583 0.016 0.028 ? 0.000 {?} {8.HA} 4.199 0.063 0.118 ++ 0.000 {?} 190.83209 190.83209 0 {?} 0 >>139 {7.HA} 3.875 0.073 0.073 ? 0.000 {?} {10.HB1} 1.494 0.022 0.041 ++ 0.000 {?} 54.52488 54.52488 0 {?} 0 >>140 {10.HB1} 1.488 0.038 0.055 ? 0.000 {?} {7.HA} 3.854 0.008 0.032 ? 0.000 {?} 41.19165 41.19165 0 {?} 0 >>141 {8.HA} 4.172 0.031 0.072 ? 0.000 {?} {11.HB2} 1.937 0.059 0.097 ++ 0.000 {?} 37.52077 37.52077 0 {?} 0 >>142 {9.HA} 3.753 0.043 0.070 ? 0.000 {?} {12.HB1} 1.549 0.064 0.111 ++ 0.000 {?} 53.76137 53.76137 0 {?} 0 >>143 {12.HB1} 1.576 0.019 0.039 ? 0.000 {?} {9.HA} 3.744 0.058 0.100 ++ 0.000 {?} 101.23315 101.23315 0 {?} 0 >>144 {13.HA} 4.153 0.020 0.041 ? 0.000 {?} {13.HB1} 1.465 0.044 0.080 ++ 0.000 {?} 236.83731 236.83731 0 {?} 0 >>145 {3.HB1} 1.898 0.054 0.054 ? 0.000 {?} {4.HN} 7.837 0.079 0.086 ++ 0.000 {?} 30.31343 30.31343 0 {?} 0 >>146 {7.HD1} 1.713 0.015 0.021 ? 0.000 {?} {8.HN} 7.800 0.036 0.024 ++ 0.000 {?} 21.23540 21.23540 -1 {?} 0 >>147 {?5.HB1} 1.538 0.013 0.024 ? 0.000 {?} {?3.HN} 8.120 0.060 0.067 ++ 0.000 {?} 32.05450 32.05450 0 {?} 0 >>148 {?12.HB1} 1.489 0.014 0.038 ? 0.000 {?} {?11.HN} 8.113 0.043 0.066 ++ 0.000 {?} 48.39705 48.39705 0 {?} 0 >>149 {6.HA} 3.675 0.060 0.066 ? 0.000 {?} {6.HB} 2.048 0.058 0.062 ++ 0.000 {?} 24.34603 24.34603 0 {?} 0 >>150 {9.HA} 3.751 0.066 0.080 ? 0.000 {?} {9.HB} 2.000 0.055 0.061 ++ 0.000 {?} 24.05913 24.05913 0 {?} 0 >>151 {7.HA} 3.878 0.077 0.094 ? 0.000 {?} {7.HB2} 1.927 0.046 0.082 ++ 0.000 {?} 87.62682 87.62682 0 {?} 0 >>152 {2.HA} 4.087 0.034 0.055 ++ 0.000 {?} {2.HB} 1.768 0.059 0.101 ++ 0.000 {?} 80.58525 80.58525 0 {?} 0 >>153 {11.HA} 4.026 0.036 0.072 ++ 0.000 {?} {11.HB2} 1.936 0.057 0.113 ++ 0.000 {?} 123.15112 123.15112 0 {?} 0 >>154 {7.HA} 3.877 0.040 0.060 ? 0.000 {?} {7.HB1} 1.709 0.052 0.075 ++ 0.000 {?} 21.49516 21.49516 0 {?} 0 >>155 {3.HA} 3.879 0.061 0.084 ? 0.000 {?} {3.HB1} 1.979 0.025 0.043 ++ 0.000 {?} 37.15389 37.15389 0 {?} 0 >>156 {2.HA} 4.087 0.049 0.049 ++ 0.000 {?} {2.HG11} 1.657 0.112 0.083 ++ 0.000 {?} 17.95458 17.95458 0 {?} 0 >>157 {10.HA} 3.992 0.013 0.027 ? 0.000 {?} {10.HB1} 1.474 0.054 0.099 ++ 0.000 {?} 53.77489 53.77489 0 {?} 0 >>158 {8.HA} 4.159 0.017 0.034 ? 0.000 {?} {8.HB1} 1.566 0.053 0.096 ++ 0.000 {?} 47.58437 47.58437 0 {?} 0 >>159 {12.HA} 4.225 0.016 0.029 ? 0.000 {?} {12.HB1} 1.560 0.074 0.112 ++ 0.000 {?} 49.38354 49.38354 0 {?} 0 >>160 {5.HA} 4.197 0.024 0.041 ? 0.000 {?} {5.HB1} 1.468 0.038 0.081 ? 0.000 {?} 21.24323 21.24323 0 {?} 0 >>161 {11.HA} 4.032 0.022 0.051 ? 0.000 {?} {11.HD1} 1.470 0.069 0.102 ++ 0.000 {?} 45.28529 45.28529 0 {?} 0 >>162 {7.HA} 3.873 0.025 0.055 ? 0.000 {?} {7.HG2} 1.382 0.057 0.076 ++ 0.000 {?} 37.23848 37.23848 0 {?} 0 >>163 {2.HA} 4.081 0.069 0.069 ? 0.000 {?} {2.HD11} 0.984 0.119 0.069 ? 0.000 {?} 18.03056 18.03056 0 {?} 0 >>164 {?6.HA} 3.676 0.053 0.053 ? 0.000 {?} {?7.HB2} 1.900 0.090 0.099 ? 0.000 {?} 28.85553 28.85553 0 {?} 0 >>165 {3.HA} 3.880 0.067 0.067 ? 0.000 {?} {3.HG} 0.996 0.042 0.055 ++ 0.000 {?} 26.52936 26.52936 0 {?} 0 >>166 {7.HA} 3.879 0.059 0.073 ? 0.000 {?} {7.HD1} 0.950 0.037 0.067 ++ 0.000 {?} 96.16709 96.16709 0 {?} 0 >>167 {9.HA} 3.747 0.049 0.056 ? 0.000 {?} {9.HG21} 0.919 0.050 0.109 ++ 0.000 {?} 96.83868 96.83868 0 {?} 0 >>168 {6.HA} 3.673 0.037 0.053 ? 0.000 {?} {6.HD11} 0.912 0.087 0.107 ? 0.000 {?} 52.21444 52.21444 0 {?} 0 >>169 {2.HA} 4.079 0.034 0.058 ? 0.000 {?} {2.HG21} 0.926 0.045 0.062 ++ 0.000 {?} 41.16022 41.16022 0 {?} 0 >>170 {4.HA} 4.320 0.080 0.080 ? 0.000 {?} {4.HB1} 2.720 0.077 0.077 ++ 0.000 {?} 13.26950 13.26950 0 {?} 0 >>171 {6.HG11} 1.878 0.056 0.103 ++ 0.000 {?} {6.HD11} 0.868 0.047 0.089 ++ 0.000 {?} 46.91870 46.91870 0 {?} 0 >>172 {6.HB} 2.030 0.102 0.138 ? 0.000 {?} {6.HD11} 0.877 0.060 0.079 ++ 0.000 {?} 10.19467 10.19467 0 {?} 0 >>173 {6.HD11} 0.864 0.035 0.062 ? 0.000 {?} {6.HB} 2.045 0.069 0.134 ++ 0.000 {?} 27.93658 27.93658 0 {?} 0 >>174 {6.HD11} 0.856 0.031 0.050 ++ 0.000 {?} {6.HG11} 1.915 0.056 0.118 ++ 0.000 {?} 113.69632 113.69632 0 {?} 0 >>175 {6.HG12} 1.136 0.123 0.123 ? 0.000 {?} {6.HD11} 0.860 0.040 0.075 ++ 0.000 {?} 37.13002 37.13002 0 {?} 0 >>176 {6.HD11} 0.864 0.024 0.069 ? 0.000 {?} {6.HG12} 1.140 0.060 0.119 ++ 0.000 {?} 42.67757 42.67757 0 {?} 0 >>177 {14.HN} 7.894 0.040 0.069 ++ 0.000 {?} {14.HA1} 3.828 0.063 0.106 ++ 0.000 {?} 73.12822 73.12822 0 {?} 0 >>178 {9.HN} 8.151 0.049 0.049 ? 0.000 {?} {6.HA} 3.672 0.049 0.056 ++ 0.000 {?} 20.03775 20.03775 0 {?} 0 >>179 {13.HN} 8.168 0.033 0.055 ++ 0.000 {?} {10.HA} 3.988 0.072 0.107 ++ 0.000 {?} 29.63856 29.63856 0 {?} 0 >>180 {7.HN} 8.324 0.047 0.058 ++ 0.000 {?} {4.HA} 4.312 0.055 0.069 ++ 0.000 {?} 18.89255 18.89255 0 {?} 0 >>181 {1.HT1} 9.631 0.050 0.062 ++ 0.000 {?} {1.HA1} 3.878 0.049 0.071 ++ 0.000 {?} 28.32172 28.32172 0 {?} 0 >>182 {2.HN} 9.020 0.040 0.040 ? 0.000 {?} {1.HA1} 3.884 0.067 0.069 ++ 0.000 {?} 10.23422 10.23422 0 {?} 0 >>183 {1.HN} 9.634 0.037 0.052 ? 0.000 {?} {2.HN} 9.019 0.055 0.070 ++ 0.000 {?} 7.92409 7.92409 0 {?} 0 >>184 {2.HN} 9.021 0.021 0.042 ? 0.000 {?} {1.HN} 9.632 0.062 0.079 ++ 0.000 {?} 18.19988 18.19988 0 {?} 0 >>185 {8.HN} 7.832 0.019 0.043 ? 0.000 {?} {9.HN} 8.168 0.027 0.088 ? 0.000 {?} 86.81610 86.81610 0 {?} 0 >>186 {9.HN} 8.164 0.016 0.042 ? 0.000 {?} {8.HN} 7.832 0.037 0.072 ++ 0.000 {?} 91.07737 91.07737 0 {?} 0 >>187 {6.HN} 8.244 0.022 0.035 ++ 0.000 {?} {7.HN} 8.326 0.035 0.051 ++ 0.000 {?} 22.00187 22.00187 0 {?} 0 >>188 {7.HN} 8.324 0.028 0.038 ? 0.000 {?} {6.HN} 8.242 0.046 0.073 ++ 0.000 {?} 16.94677 16.94677 0 {?} 0 >>189 {2.HN} 9.020 0.041 0.061 ? 0.000 {?} {4.HN} 7.862 0.050 0.092 ++ 0.000 {?} 38.18640 38.18640 0 {?} 0 >>190 {4.HN} 7.865 0.034 0.065 ? 0.000 {?} {2.HN} 9.020 0.049 0.087 ++ 0.000 {?} 44.09386 44.09386 0 {?} 0 >>191 {9.HN} 8.156 0.049 0.083 ? 0.000 {?} {9.HB} 2.002 0.044 0.095 ? 0.000 {?} 61.76572 61.76572 0 {?} 0 >>192 {10.HN} 8.420 0.030 0.068 ++ 0.000 {?} {9.HB} 2.016 0.049 0.078 ? 0.000 {?} 46.49390 46.49390 0 {?} 0 >>193 {11.HN} 8.081 0.020 0.049 ? 0.000 {?} {11.HB2} 1.476 0.046 0.098 ? 0.000 {?} 93.59187 93.59187 0 {?} 0 >>194 {7.HN} 8.324 0.021 0.034 ++ 0.000 {?} {6.HB} 2.059 0.035 0.081 ? 0.000 {?} 34.26425 34.26425 0 {?} 0 >>195 {10.HN} 8.407 0.024 0.047 ++ 0.000 {?} {9.HG11} 1.585 0.052 0.073 ++ 0.000 {?} 13.41795 13.41795 0 {?} 0 >>196 {?5.HN} 7.878 0.045 0.045 ? 0.000 {?} {?2.HB} 1.935 0.068 0.096 ++ 0.000 {?} 12.32321 12.32321 0 {?} 0 >>197 {?5.HN} 7.872 0.035 0.056 ? 0.000 {?} {?2.HG12} 1.760 0.027 0.090 ? 0.000 {?} 25.00241 25.00241 0 {?} 0 >>198 {7.HN} 8.324 0.032 0.049 ? 0.000 {?} {7.HB1} 1.727 0.080 0.135 ++ 0.000 {?} 44.27305 44.27305 0 {?} 0 >>199 {8.HN} 7.830 0.021 0.035 ? 0.000 {?} {7.HB1} 1.728 0.092 0.107 ++ 0.000 {?} 14.22519 14.22519 0 {?} 0 >>200 {11.HN} 8.084 0.021 0.027 ++ 0.000 {?} {9.HG11} 1.587 0.050 0.077 ? 0.000 {?} 23.92519 23.92519 0 {?} 0 >>201 {6.HN} 8.247 0.022 0.058 ? 0.000 {?} {5.HB1} 1.581 0.041 0.074 ++ 0.000 {?} 49.03053 49.03053 1 {?} 0 >>202 {?5.HN} 7.866 0.042 0.061 ? 0.000 {?} {?2.HD11} 0.973 0.078 0.099 ? 0.000 {?} 19.90695 19.90695 0 {?} 0 >>203 {14.HA2} 3.822 0.031 0.068 ? 0.000 {?} {14.HN} 7.880 0.057 0.094 ++ 0.000 {?} 32.93624 32.93624 0 {?} 0 >>204 {6.HA} 3.677 0.043 0.053 ? 0.000 {?} {7.HN} 8.328 0.052 0.059 ++ 0.000 {?} 8.60876 8.60876 0 {?} 0 >>205 {11.HA} 3.995 0.074 0.074 ? 0.000 {?} {13.HN} 8.172 0.051 0.065 ? 0.000 {?} 12.87428 12.87428 0 {?} 0 >>206 {1.HA1} 3.993 0.077 0.070 ++ 0.000 {?} {1.HN} 9.626 0.133 0.111 ++ 0.000 {?} 9.49545 9.49545 0 {?} 0 >>207 {2.HA} 4.083 0.038 0.040 ? 0.000 {?} {3.HN} 8.247 0.059 0.068 ++ 0.000 {?} 12.02680 12.02680 0 {?} 0 >>208 {3.HB2} 1.728 0.014 0.102 ? 0.000 {?} {3.HA} 3.895 0.027 0.048 ++ 0.000 {?} 50.52137 50.52137 0 {?} 0 >>209 {7.HD1} 0.987 0.022 0.071 ? 0.000 {?} {7.HA} 3.862 0.021 0.046 ++ 0.000 {?} 108.39508 108.39508 0 {?} 0 >>210 {?7.HB2} 1.908 0.024 0.081 ? 0.000 {?} {?6.HA} 3.675 0.055 0.066 ? 0.000 {?} 23.46309 23.46309 0 {?} 0 >>211 {?7.HB2} 1.913 0.019 0.068 ? 0.000 {?} {?9.HA} 3.748 0.052 0.063 ++ 0.000 {?} 21.99075 21.99075 0 {?} 0 >>212 {11.HB2} 1.944 0.031 0.118 ? 0.000 {?} {8.HA} 4.169 0.055 0.082 ++ 0.000 {?} 48.20860 48.20860 0 {?} 0 >>213 {11.HG1} 1.720 0.067 0.067 ? 0.000 {?} {12.HA} 4.175 0.093 0.093 ++ 0.000 {?} 21.15589 21.15589 0 {?} 0 >>214 {7.HB2} 1.933 0.045 0.077 ? 0.000 {?} {4.HA} 4.317 0.062 0.073 ++ 0.000 {?} 16.54686 16.54686 0 {?} 0 >>215 {?3.HB2} 1.736 0.084 0.084 ? 0.000 {?} {?4.HA} 4.310 0.061 0.074 ++ 0.000 {?} 26.76998 26.76998 -1 {?} 0 >>216 {11.HA} 4.018 0.043 0.048 ? 0.000 {?} {11.HG1} 1.718 0.099 0.059 ++ 0.000 {?} 12.81100 12.81100 0 {?} 0 >>217 {11.HA} 4.026 0.067 0.054 ++ 0.000 {?} {11.HG2} 1.599 0.076 0.066 ++ 0.000 {?} 12.21210 12.21210 0 {?} 0 >>218 {?9.HA} 3.753 0.020 0.067 ? 0.000 {?} {?7.HB2} 1.915 0.071 0.095 ? 0.000 {?} 32.02031 32.02031 0 {?} 0 >>219 {7.HB1} 1.720 0.028 0.092 ? 0.000 {?} {7.HG1} 2.970 0.083 0.083 ? 0.000 {?} 11.31537 11.31537 0 {?} 0 >>220 {7.HG1} 2.975 0.009 0.066 ? 0.000 {?} {7.HB1} 1.723 0.065 0.096 ++ 0.000 {?} 24.23375 24.23375 0 {?} 0 >>221 {7.HG1} 2.973 0.049 0.061 ? 0.000 {?} {7.HB2} 1.934 0.087 0.084 ++ 0.000 {?} 16.95393 16.95393 0 {?} 0 >>222 {11.HB1} 2.973 0.027 0.053 ? 0.000 {?} {11.HG2} 1.598 0.071 0.071 ++ 0.000 {?} 20.44683 20.44683 0 {?} 0 >>223 {7.HG1} 2.964 0.025 0.040 ? 0.000 {?} {7.HG2} 1.402 0.103 0.098 ++ 0.000 {?} 20.10252 20.10252 0 {?} 0 >>224 {9.HB} 1.984 0.044 0.110 ? 0.000 {?} {9.HG21} 0.958 0.033 0.084 ? 0.000 {?} 58.56973 58.56973 0 {?} 0 >>225 {7.HB1} 1.862 0.048 0.106 ? 0.000 {?} {7.HD1} 0.972 0.041 0.082 ? 0.000 {?} 21.30455 21.30455 0 {?} 0 >>226 {2.HB} 1.753 0.038 0.065 ? 0.000 {?} {2.HD11} 0.960 0.030 0.113 ? 0.000 {?} 63.60771 63.60771 0 {?} 0 >>227 {2.HG11} 1.690 0.015 0.039 ? 0.000 {?} {2.HD11} 0.959 0.069 0.123 ++ 0.000 {?} 29.10619 29.10619 0 {?} 0 >>228 {11.HG1} 1.646 0.045 0.045 ? 0.000 {?} {11.HD1} 0.965 0.029 0.111 ? 0.000 {?} 34.65783 34.65783 0 {?} 0 >>229 {7.HD1} 1.929 0.020 0.123 ? 0.000 {?} {7.HG2} 1.473 0.020 0.077 ? 0.000 {?} 25.47738 25.47738 0 {?} 0 >>230 {7.HD1} 1.933 0.048 0.102 ? 0.000 {?} {7.HB1} 1.725 0.063 0.119 ++ 0.000 {?} 128.69112 128.69112 0 {?} 0 >>231 {7.HB1} 1.721 0.051 0.132 ? 0.000 {?} {7.HD1} 1.935 0.063 0.103 ++ 0.000 {?} 119.25753 119.25753 0 {?} 0 >>232 {7.HG2} 1.474 0.044 0.077 ? 0.000 {?} {7.HD1} 1.935 0.065 0.119 ? 0.000 {?} 41.13774 41.13774 0 {?} 0 >>233 {9.HG12} 0.941 0.010 0.043 ? 0.000 {?} {9.HB} 2.007 0.053 0.139 ? 0.000 {?} 132.67160 132.67160 0 {?} 0 >>234 {7.HD1} 0.968 0.017 0.051 ? 0.000 {?} {7.HB1} 1.881 0.044 0.098 ++ 0.000 {?} 23.66981 23.66981 0 {?} 0 >>235 {2.HD11} 0.930 0.014 0.045 ? 0.000 {?} {2.HB} 1.762 0.068 0.121 ++ 0.000 {?} 107.91277 107.91277 0 {?} 0 >>236 {2.HD11} 0.926 0.009 0.009 ? 0.000 {?} {2.HG11} 1.660 0.045 0.117 ? 0.000 {?} 60.71777 60.71777 0 {?} 0 >>237 {11.HD1} 0.991 0.012 0.040 ? 0.000 {?} {11.HG1} 1.716 0.040 0.140 ? 0.000 {?} 86.67271 86.67271 0 {?} 0 >>238 {7.HD2} 1.708 0.014 0.093 ? 0.000 {?} {7.HG2} 1.465 0.055 0.116 ? 0.000 {?} 58.35991 58.35991 0 {?} 0 >>239 {7.HB2} 1.935 0.065 0.065 ? 0.000 {?} {7.HG1} 2.971 0.090 0.058 ? 0.000 {?} 12.18949 12.18949 0 {?} 0 >>240 {1.HA1} 3.876 0.063 0.083 ? 0.000 {?} {3.HB1} 1.462 0.024 0.040 ++ 0.000 {?} 36.97492 36.97492 0 {?} 0 >>241 {3.HB1} 1.484 0.064 0.064 ? 0.000 {?} {1.HA1} 3.885 0.024 0.041 ++ 0.000 {?} 62.97099 62.97099 0 {?} 0 >>242 {6.HA} 3.677 0.038 0.067 ? 0.000 {?} {9.HB} 1.996 0.049 0.057 ++ 0.000 {?} 16.48328 16.48328 0 {?} 0 >>243 {9.HB} 2.033 0.032 0.056 ? 0.000 {?} {6.HA} 3.675 0.049 0.058 ++ 0.000 {?} 21.21988 21.21988 0 {?} 0 >>244 {10.HA} 3.957 0.016 0.044 ? 0.000 {?} {13.HB1} 1.475 0.044 0.090 ++ 0.000 {?} 49.32624 49.32624 0 {?} 0 >>245 {13.HB1} 1.488 0.035 0.035 ? 0.000 {?} {10.HA} 3.963 0.041 0.066 ++ 0.000 {?} 65.58360 65.58360 0 {?} 0 >>246 {6.HN} 8.244 0.031 0.030 ++ 0.000 {?} {5.HA} 4.213 0.056 0.055 ++ 0.000 {?} 16.88548 16.88548 0 {?} 0 >>247 {1.HT1} 9.631 0.035 0.047 ++ 0.000 {?} {2.HB} 1.944 0.037 0.054 ++ 0.000 {?} 28.04123 28.04123 0 {?} 0 >>248 {3.HN} 8.247 0.030 0.043 ++ 0.000 {?} {2.HB} 1.934 0.031 0.044 ++ 0.000 {?} 22.59681 22.59681 0 {?} 0 >>249 {9.HN} 8.165 0.018 0.052 ++ 0.000 {?} {5.HA} 4.221 0.013 0.026 ++ 0.000 {?} 46.45924 46.45924 0 {?} 0 >>250 {9.HN} 8.160 0.044 0.081 ++ 0.000 {?} {8.HB1} 1.541 0.007 0.026 ? 0.000 {?} 31.90459 31.90459 0 {?} 0 >>251 {11.HN} 8.084 0.019 0.031 ++ 0.000 {?} {10.HA} 3.971 0.018 0.029 ++ 0.000 {?} 27.09016 27.09016 0 {?} 0 >>252 {11.HN} 7.888 0.033 0.053 ++ 0.000 {?} {10.HA} 3.996 0.034 0.053 ++ 0.000 {?} 33.88936 33.88936 0 {?} 0 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 H 2 . 6900 Hz . . . 4.78 . . 30745 1 >> 2 . . H 1 H 1 . 6900 Hz . . . 4.78 . . 30745 1 >> >> stop_ >> >>save_ >> ; save_