data_36321 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of Peptide P9R ; _BMRB_accession_number 36321 _BMRB_flat_file_name bmr36321.str _Entry_type original _Submission_date 2020-03-10 _Accession_date 2020-08-24 _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 Yuen K. Y. . 2 Zhao H. J. . 3 Yung T. M. . 4 Sze K. H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 4 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 183 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-09-07 original BMRB . stop_ _Original_release_date 2020-08-24 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Broad antiviral peptide targeting virus and host against 2019 coronavirus and others Broad antiviral peptide targeting virus and host against endosomal viruses ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yuen K. Y. . 2 Zhao H. J. . 3 Yung T. M. . 4 Sze K. H. . stop_ _Journal_abbreviation . _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 . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Peptide P9R' _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 'Peptide P9R' _Molecular_mass 3418.084 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 30 _Mol_residue_sequence ; NGAICWGPCPTAFRQIGNCG RFRVRCCRIR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ASN 2 2 GLY 3 3 ALA 4 4 ILE 5 5 CYS 6 6 TRP 7 7 GLY 8 8 PRO 9 9 CYS 10 10 PRO 11 11 THR 12 12 ALA 13 13 PHE 14 14 ARG 15 15 GLN 16 16 ILE 17 17 GLY 18 18 ASN 19 19 CYS 20 20 GLY 21 21 ARG 22 22 PHE 23 23 ARG 24 24 VAL 25 25 ARG 26 26 CYS 27 27 CYS 28 28 ARG 29 29 ILE 30 30 ARG 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 Mouse 10090 Eukaryota Metazoa Mus musculus 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 solution _Details '1 mg/mL NA- P9R, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mg/mL 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1 mg/mL NA- P9R, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mg/mL 'natural abundance' D2O 100 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name ARIA _Version 2.3 loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CNS _Version 1.21 loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_3 _Saveframe_category software _Name 'CcpNmr Analysis' _Version 2.4.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name DANGLE _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Nicole Cheung, Tim Stevens, Bill Broadhurst' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name TopSpin _Version 4.0.6 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _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-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 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 . 'Not defined' pH 7 . pH pressure 1 . atm temperature 298.15 . 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 H 1 'methyl protons' ppm 0 internal direct . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H COSY' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 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 ASN HA H 4.397 0.009 1 2 1 1 ASN HB2 H 3.014 0.005 2 3 1 1 ASN HB3 H 2.947 0.011 2 4 1 1 ASN HD21 H 7.702 0.001 1 5 1 1 ASN HD22 H 7.041 0.001 1 6 2 2 GLY H H 8.665 0.002 1 7 2 2 GLY HA2 H 4.007 0.010 2 8 2 2 GLY HA3 H 4.008 0.011 2 9 3 3 ALA H H 8.256 0.018 1 10 3 3 ALA HA H 4.328 0.009 1 11 3 3 ALA HB H 1.351 0.001 1 12 4 4 ILE H H 8.136 0.005 1 13 4 4 ILE HA H 4.052 0.014 1 14 4 4 ILE HB H 1.714 0.004 1 15 4 4 ILE HG12 H 1.412 0.005 2 16 4 4 ILE HG13 H 1.106 0.005 2 17 4 4 ILE HG2 H 0.620 0.003 1 18 4 4 ILE HD1 H 0.802 0.007 1 19 5 5 CYS H H 8.286 0.007 1 20 5 5 CYS HA H 4.501 0.003 1 21 5 5 CYS HB2 H 2.825 0.006 1 22 5 5 CYS HB3 H 2.825 0.006 1 23 6 6 TRP H H 8.288 0.005 1 24 6 6 TRP HA H 4.732 0.008 1 25 6 6 TRP HB2 H 3.213 0.004 2 26 6 6 TRP HB3 H 3.344 0.005 2 27 6 6 TRP HD1 H 7.264 0.003 1 28 6 6 TRP HE1 H 10.106 0.001 1 29 6 6 TRP HE3 H 7.633 0.002 1 30 6 6 TRP HZ2 H 7.486 0.003 1 31 6 6 TRP HZ3 H 7.155 0.002 1 32 6 6 TRP HH2 H 7.234 0.004 1 33 7 7 GLY H H 8.053 0.003 1 34 7 7 GLY HA2 H 4.011 0.005 1 35 7 7 GLY HA3 H 4.011 0.005 1 36 8 8 PRO HA H 4.411 0.005 1 37 8 8 PRO HB2 H 2.249 0.005 2 38 8 8 PRO HB3 H 1.928 0.004 2 39 8 8 PRO HG2 H 2.002 0.003 2 40 8 8 PRO HG3 H 2.003 0.006 2 41 8 8 PRO HD2 H 3.530 0.005 2 42 8 8 PRO HD3 H 3.573 0.003 2 43 9 9 CYS H H 8.470 0.010 1 44 9 9 CYS HA H 4.778 0.004 1 45 9 9 CYS HB2 H 2.913 0.004 2 46 9 9 CYS HB3 H 2.913 0.004 2 47 10 10 PRO HA H 4.483 0.008 1 48 10 10 PRO HB2 H 2.326 0.004 2 49 10 10 PRO HB3 H 1.951 0.005 2 50 10 10 PRO HG2 H 2.030 0.004 1 51 10 10 PRO HG3 H 2.030 0.004 1 52 10 10 PRO HD2 H 3.822 0.003 2 53 10 10 PRO HD3 H 3.775 0.005 2 54 11 11 THR H H 8.065 0.006 1 55 11 11 THR HA H 4.234 0.013 1 56 11 11 THR HB H 4.205 0.012 1 57 11 11 THR HG2 H 1.194 0.002 1 58 12 12 ALA H H 8.133 0.002 1 59 12 12 ALA HA H 4.270 0.004 1 60 12 12 ALA HB H 1.307 0.003 1 61 13 13 PHE H H 8.074 0.007 1 62 13 13 PHE HA H 4.576 0.004 1 63 13 13 PHE HB2 H 3.033 0.009 2 64 13 13 PHE HB3 H 3.111 0.008 2 65 13 13 PHE HD1 H 7.231 0.003 1 66 13 13 PHE HD2 H 7.231 0.003 1 67 13 13 PHE HE1 H 7.344 0.004 1 68 13 13 PHE HE2 H 7.344 0.004 1 69 13 13 PHE HZ H 7.332 0.021 1 70 14 14 ARG H H 8.057 0.008 1 71 14 14 ARG HA H 4.256 0.010 1 72 14 14 ARG HB2 H 1.690 0.007 2 73 14 14 ARG HB3 H 1.769 0.006 2 74 14 14 ARG HG2 H 1.531 0.016 2 75 14 14 ARG HG3 H 1.546 0.008 2 76 14 14 ARG HD2 H 3.151 0.010 2 77 14 14 ARG HD3 H 3.151 0.010 2 78 14 14 ARG HE H 7.152 0.012 1 79 15 15 GLN H H 8.301 0.005 1 80 15 15 GLN HA H 4.331 0.003 1 81 15 15 GLN HB2 H 2.084 0.005 2 82 15 15 GLN HB3 H 1.969 0.003 2 83 15 15 GLN HG2 H 2.336 0.003 2 84 15 15 GLN HG3 H 2.336 0.003 2 85 15 15 GLN HE21 H 7.508 0.001 1 86 15 15 GLN HE22 H 6.862 0.000 1 87 16 16 ILE H H 8.212 0.004 1 88 16 16 ILE HA H 4.192 0.007 1 89 16 16 ILE HB H 1.873 0.011 1 90 16 16 ILE HG12 H 1.474 0.008 2 91 16 16 ILE HG13 H 1.187 0.010 2 92 16 16 ILE HG2 H 0.916 0.003 1 93 16 16 ILE HD1 H 0.858 0.008 1 94 17 17 GLY H H 8.458 0.006 1 95 17 17 GLY HA2 H 3.957 0.013 2 96 17 17 GLY HA3 H 3.957 0.013 2 97 18 18 ASN H H 8.418 0.004 1 98 18 18 ASN HA H 4.756 0.010 1 99 18 18 ASN HB2 H 2.788 0.004 2 100 18 18 ASN HB3 H 2.866 0.012 2 101 18 18 ASN HD21 H 7.607 0.013 1 102 18 18 ASN HD22 H 6.918 0.000 1 103 19 19 CYS H H 8.444 0.009 1 104 19 19 CYS HA H 4.506 0.004 1 105 19 19 CYS HB2 H 2.983 0.005 1 106 19 19 CYS HB3 H 2.983 0.005 1 107 20 20 GLY H H 8.489 0.001 1 108 20 20 GLY HA2 H 3.936 0.008 2 109 20 20 GLY HA3 H 3.936 0.009 2 110 21 21 ARG H H 8.056 0.011 1 111 21 21 ARG HA H 4.225 0.011 1 112 21 21 ARG HB2 H 1.632 0.014 2 113 21 21 ARG HB3 H 1.633 0.012 2 114 21 21 ARG HG2 H 1.410 0.003 2 115 21 21 ARG HG3 H 1.410 0.003 2 116 21 21 ARG HD2 H 3.091 0.004 2 117 21 21 ARG HD3 H 3.091 0.004 2 118 21 21 ARG HE H 7.098 0.004 1 119 22 22 PHE H H 8.130 0.003 1 120 22 22 PHE HA H 4.660 0.009 1 121 22 22 PHE HB2 H 3.007 0.006 2 122 22 22 PHE HB3 H 3.169 0.009 2 123 22 22 PHE HD1 H 7.245 0.006 1 124 22 22 PHE HD2 H 7.245 0.006 1 125 22 22 PHE HE1 H 7.338 0.014 1 126 22 22 PHE HE2 H 7.338 0.014 1 127 22 22 PHE HZ H 7.324 0.020 1 128 23 23 ARG H H 8.133 0.004 1 129 23 23 ARG HA H 4.335 0.004 1 130 23 23 ARG HB2 H 1.713 0.017 2 131 23 23 ARG HB3 H 1.777 0.014 2 132 23 23 ARG HG2 H 1.570 0.017 2 133 23 23 ARG HG3 H 1.570 0.017 2 134 23 23 ARG HD2 H 3.170 0.006 2 135 23 23 ARG HD3 H 3.170 0.006 2 136 23 23 ARG HE H 7.176 0.001 1 137 24 24 VAL H H 8.114 0.014 1 138 24 24 VAL HA H 4.088 0.002 1 139 24 24 VAL HB H 2.064 0.004 1 140 24 24 VAL HG1 H 0.957 0.005 2 141 24 24 VAL HG2 H 0.957 0.005 2 142 25 25 ARG H H 8.478 0.008 1 143 25 25 ARG HA H 4.350 0.018 1 144 25 25 ARG HB2 H 1.768 0.014 2 145 25 25 ARG HB3 H 1.846 0.005 2 146 25 25 ARG HG2 H 1.614 0.023 2 147 25 25 ARG HG3 H 1.660 0.025 2 148 25 25 ARG HD2 H 3.174 0.009 2 149 25 25 ARG HD3 H 3.175 0.009 2 150 25 25 ARG HE H 7.218 0.032 1 151 26 26 CYS H H 8.440 0.031 1 152 26 26 CYS HA H 4.535 0.001 1 153 26 26 CYS HB2 H 2.919 0.004 2 154 26 26 CYS HB3 H 2.919 0.004 2 155 27 27 CYS H H 8.512 0.003 1 156 27 27 CYS HA H 4.543 0.016 1 157 27 27 CYS HB2 H 2.920 0.004 2 158 27 27 CYS HB3 H 2.920 0.004 2 159 28 28 ARG H H 8.404 0.003 1 160 28 28 ARG HA H 4.384 0.012 1 161 28 28 ARG HB2 H 1.766 0.013 2 162 28 28 ARG HB3 H 1.846 0.007 2 163 28 28 ARG HG2 H 1.635 0.021 2 164 28 28 ARG HG3 H 1.603 0.015 2 165 28 28 ARG HD2 H 3.184 0.012 2 166 28 28 ARG HD3 H 3.183 0.012 2 167 28 28 ARG HE H 7.253 0.014 1 168 29 29 ILE H H 8.279 0.002 1 169 29 29 ILE HA H 4.174 0.010 1 170 29 29 ILE HB H 1.880 0.015 1 171 29 29 ILE HG12 H 1.481 0.006 2 172 29 29 ILE HG13 H 1.194 0.004 2 173 29 29 ILE HG2 H 0.923 0.008 1 174 29 29 ILE HD1 H 0.865 0.007 1 175 30 30 ARG H H 7.983 0.003 1 176 30 30 ARG HA H 4.193 0.004 1 177 30 30 ARG HB2 H 1.749 0.012 2 178 30 30 ARG HB3 H 1.853 0.015 2 179 30 30 ARG HG2 H 1.595 0.006 2 180 30 30 ARG HG3 H 1.596 0.006 2 181 30 30 ARG HD2 H 3.186 0.012 2 182 30 30 ARG HD3 H 3.185 0.012 2 183 30 30 ARG HE H 7.208 0.028 1 stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details 'd8=300.000 ms' _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 36321 >> _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 . >> _Spectral_peak_list.Chem_shift_reference_label . >> _Spectral_peak_list.Experiment_ID 3 >> _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 'd8=300.000 ms' >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >>Assignment w1 w2 Height Volume >> ?-? 7.252 1.411 7.09E+03 4.48E+04 bx >> ?-? 7.346 1.558 4.89E+03 2.25E+04 bx >> ?-? 7.343 1.626 4.22E+03 2.12E+04 bx >> ?-? 7.253 1.634 7.04E+03 5.27E+04 bx >> ?-? 7.249 0.964 5.90E+03 3.64E+04 bx >> ?-? 4.045 1.096 5.58E+03 3.79E+04 bx >> ?-? 3.360 4.733 2.16E+04 1.46E+05 bx >> ?-? 3.339 4.732 2.92E+04 2.06E+05 bx >> ?-? 3.218 4.740 1.73E+04 1.27E+05 bx >> ?-? 4.189 3.965 2.78E+04 2.01E+05 bx >> ?-? 8.061 2.326 2.20E+04 1.69E+05 bx >> ?-? 8.307 1.548 7.95E+03 5.98E+04 bx >> R23HA-F22HA 4.331 4.660 9.98E+03 7.13E+04 bx >> ?-? 8.351 8.071 8.44E+03 6.52E+04 bx >> ?-? 8.295 8.057 7.14E+04 5.53E+05 bx >> ?-? 8.279 7.984 4.24E+04 3.25E+05 bx >> ?-? 8.488 8.052 6.57E+04 4.97E+05 bx >> ?-? 8.478 8.121 5.56E+04 4.28E+05 bx >> ?-? 8.441 8.050 8.13E+03 5.43E+04 bx >> ?-? 8.441 8.135 1.04E+04 8.11E+04 bx >> ?-? 8.458 8.216 5.23E+04 4.08E+05 bx >> ?-? 8.427 8.218 1.02E+04 7.40E+04 bx >> ?-? 8.403 8.279 4.02E+04 3.18E+05 bx >> ?-? 8.443 8.289 1.78E+04 1.32E+05 bx >> ?-? 8.472 8.303 1.86E+04 1.40E+05 bx >> ?-? 8.212 8.460 5.56E+04 4.31E+05 bx >> ?-? 8.118 8.476 4.25E+04 3.24E+05 bx >> ?-? 8.050 8.487 6.44E+04 4.95E+05 bx >> ?-? 8.078 8.491 7.47E+03 5.19E+04 bx >> ?-? 8.052 8.299 8.87E+04 6.72E+05 bx >> ?-? 8.281 8.403 2.97E+04 2.38E+05 bx >> ?-? 8.670 8.475 2.35E+04 1.75E+05 bx >> ?-? 8.669 8.582 9.55E+03 7.13E+04 bx >> ?-? 8.473 8.669 2.54E+04 1.68E+05 bx >> ?-? 8.472 8.604 2.05E+04 1.18E+05 bx >> ?-? 8.404 8.511 5.01E+04 4.01E+05 bx >> ?-? 8.512 8.413 4.90E+04 4.10E+05 bx >> ?-? 8.280 8.146 4.89E+04 3.98E+05 bx >> ?-? 8.137 8.276 3.84E+04 3.04E+05 bx >> ?-? 8.211 8.065 1.97E+04 1.61E+05 bx >> ?-? 8.054 8.189 2.96E+04 1.78E+05 bx >> ?-? 8.134 7.988 2.77E+04 2.25E+05 bx >> ?-? 7.985 8.122 1.59E+04 8.87E+04 bx >> ?-? 8.132 8.079 2.93E+05 2.55E+06 bx >> ?-? 8.055 8.133 2.25E+05 1.50E+06 bx >> ?-? 8.054 7.975 7.65E+04 4.78E+05 bx >> ?-? 8.054 7.915 1.66E+04 9.87E+04 bx >> ?-? 7.987 7.903 2.20E+04 1.06E+05 bx >> ?-? 7.918 8.058 6.02E+03 4.06E+04 bx >> ?-? 7.900 8.047 5.46E+03 3.95E+04 bx >> ?-? 8.132 7.344 1.10E+04 8.26E+04 bx >> ?-? 8.077 7.352 5.88E+03 3.08E+04 bx >> ?-? 7.343 8.130 1.34E+04 9.26E+04 bx >> ?-? 7.347 8.074 7.36E+03 4.52E+04 bx >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 H . . 11.5 ppm . . . 4.704 . . 36321 1 >> 2 . . H 1 H . . 12.984 ppm . . . 4.704 . . 36321 1 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_2 _Saveframe_category spectral_peak_list _Details 'd8=300.000 ms' _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_2 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_2 >> _Spectral_peak_list.Entry_ID 36321 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $sample_2 >> _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 . >> _Spectral_peak_list.Chem_shift_reference_label . >> _Spectral_peak_list.Experiment_ID 4 >> _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 'd8=300.000 ms' >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >>Assignment w1 w2 Height Volume >> ?-? 4.575 3.036 2.26E+05 1.67E+06 bx >> ?-? 4.563 3.113 1.06E+05 7.87E+05 bx >> ?-? 4.584 3.112 1.34E+05 9.94E+05 bx >> ?-? 4.501 2.977 3.57E+05 2.67E+06 bx >> ?-? 4.405 4.501 3.88E+04 2.27E+05 bx >> ?-? 4.391 4.492 4.01E+04 2.08E+05 bx >> ?-? 4.326 4.422 5.63E+04 2.66E+05 bx >> ?-? 4.486 4.591 2.34E+04 1.08E+05 bx >> ?-? 4.469 4.573 1.71E+04 1.10E+05 bx >> ?-? 4.581 4.476 2.04E+04 1.24E+05 bx >> ?-? 4.412 4.574 1.68E+04 1.08E+05 bx >> ?-? 4.390 4.565 1.26E+04 8.96E+04 bx >> ?-? 4.330 4.098 9.32E+03 7.00E+04 bx >> ?-? 3.833 3.935 2.01E+04 1.61E+05 bx >> ?-? 3.929 3.837 6.84E+04 3.49E+05 bx >> ?-? 3.824 3.698 1.00E+04 8.32E+04 bx >> ?-? 3.696 3.780 1.03E+04 8.04E+04 bx >> ?-? 3.522 3.669 8.84E+03 6.03E+04 bx >> ?-? 3.441 3.314 1.94E+04 1.59E+05 bx >> ?-? 3.314 3.447 1.71E+04 1.34E+05 bx >> ?-? 3.334 3.456 1.25E+04 9.67E+04 bx >> ?-? 3.363 3.461 7.07E+03 5.55E+04 bx >> ?-? 3.343 3.209 7.17E+05 5.60E+06 bx >> ?-? 3.311 3.222 1.53E+05 1.26E+06 bx >> ?-? 3.211 3.354 6.52E+05 5.00E+06 bx >> ?-? 3.089 3.284 2.07E+04 1.65E+05 bx >> ?-? 3.277 3.077 2.03E+04 1.69E+05 bx >> ?-? 2.882 2.956 1.84E+05 1.53E+06 bx >> ?-? 2.907 2.823 1.21E+05 7.37E+05 bx >> ?-? 2.788 2.868 1.03E+06 8.05E+06 bx >> ?-? 2.857 2.782 1.08E+06 8.48E+06 bx >> ?-? 2.652 2.818 8.85E+03 7.15E+04 bx >> ?-? 2.388 2.177 1.92E+04 1.52E+05 bx >> ?-? 2.376 2.095 3.47E+04 2.78E+05 bx >> ?-? 2.091 2.337 1.90E+05 1.56E+06 bx >> ?-? 2.030 2.322 1.20E+05 9.86E+05 bx >> ?-? 1.931 2.251 1.88E+05 1.52E+06 bx >> ?-? 2.005 2.247 1.72E+05 1.39E+06 bx >> ?-? 2.239 2.004 1.15E+05 9.40E+05 bx >> ?-? 2.248 1.925 2.05E+05 1.61E+06 bx >> ?-? 2.332 1.960 3.21E+05 2.59E+06 bx >> ?-? 2.079 1.976 6.01E+05 4.92E+06 bx >> ?-? 1.974 2.081 5.69E+05 4.68E+06 bx >> ?-? 2.006 2.171 2.47E+04 1.51E+05 bx >> ?-? 2.080 2.242 2.06E+04 1.45E+05 bx >> ?-? 2.099 2.182 1.44E+04 9.58E+04 bx >> ?-? 2.077 2.172 1.53E+04 8.91E+04 bx >> ?-? 2.330 2.237 4.99E+04 3.26E+05 bx >> ?-? 2.095 1.885 2.35E+04 1.94E+05 bx >> ?-? 2.077 1.871 2.85E+04 2.23E+05 bx >> ?-? 1.963 2.180 1.39E+04 9.11E+04 bx >> ?-? 1.932 2.171 9.58E+03 6.87E+04 bx >> ?-? 1.909 2.167 8.42E+03 5.72E+04 bx >> ?-? 1.685 1.536 2.79E+05 2.40E+06 bx >> ?-? 1.763 1.553 2.00E+05 1.85E+06 bx >> ?-? 1.556 1.701 2.77E+05 2.23E+06 bx >> ?-? 0.803 0.709 4.00E+04 1.66E+05 bx >> ?-? 3.820 3.779 6.36E+05 5.43E+06 bx >> ?-? 3.774 3.811 5.99E+05 5.26E+06 bx >> ?-? 4.257 4.356 4.17E+04 2.61E+05 bx >> ?-? 4.529 4.630 2.07E+04 1.20E+05 bx >> ?-? 4.621 4.533 9.82E+03 6.56E+04 bx >> ?-? 7.633 3.351 4.17E+04 3.32E+05 bx >> ?-? 7.608 3.319 1.21E+04 9.71E+04 bx >> ?-? 7.633 3.211 2.10E+04 1.69E+05 bx >> ?-? 7.341 3.171 2.89E+04 2.38E+05 bx >> ?-? 7.341 3.106 2.23E+04 1.80E+05 bx >> ?-? 7.341 3.012 3.69E+04 3.11E+05 bx >> ?-? 7.261 3.211 1.10E+05 8.66E+05 bx >> ?-? 7.244 3.172 1.51E+05 1.21E+06 bx >> ?-? 7.228 3.110 1.36E+05 1.05E+06 bx >> ?-? 7.229 3.036 1.27E+05 1.03E+06 bx >> ?-? 7.244 3.003 1.61E+05 1.31E+06 bx >> ?-? 7.261 3.347 4.76E+04 3.63E+05 bx >> ?-? 7.299 3.010 1.01E+04 7.67E+04 bx >> ?-? 7.301 3.161 5.31E+03 4.14E+04 bx >> ?-? 7.342 0.956 9.61E+03 7.58E+04 bx >> ?-? 7.231 1.311 1.02E+04 7.25E+04 bx >> ?-? 7.225 1.303 9.76E+03 7.27E+04 bx >> ?-? 7.245 1.641 1.65E+04 1.25E+05 bx >> ?-? 7.302 0.958 4.79E+03 3.38E+04 bx >> ?-? 7.630 4.008 8.19E+03 6.33E+04 bx >> ?-? 7.233 4.340 8.22E+03 6.06E+04 bx >> ?-? 7.634 4.736 3.10E+04 2.40E+05 bx >> ?-? 7.623 7.731 6.87E+03 3.76E+04 bx >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 H . . 11.4995 ppm . . . 5.1 . . 36321 2 >> 2 . . H 1 H . . 12.984 ppm . . . 5.1 . . 36321 2 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_3 _Saveframe_category spectral_peak_list _Details 'd8=500.000 ms' _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_3 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_3 >> _Spectral_peak_list.Entry_ID 36321 >> _Spectral_peak_list.ID 3 >> _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 . >> _Spectral_peak_list.Chem_shift_reference_label . >> _Spectral_peak_list.Experiment_ID 3 >> _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 'd8=500.000 ms' >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >>Assignment w1 w2 Height Volume >> G7HN-W6HA 8.051 4.733 6.21E+04 4.72E+05 bx >> A3HN-G2QA 8.242 4.011 4.16E+04 3.17E+05 bx >> I4HN-A3HA 8.138 4.322 2.48E+05 1.97E+06 bx >> C5HN-I4HA 8.279 4.051 1.98E+05 1.44E+06 bx >> W6HN-C5HA 8.287 4.504 1.74E+05 1.24E+06 bx >> G7QA-P8HD3 4.006 3.578 9.44E+04 7.64E+05 bx >> G7QA-P8HD2 4.007 3.527 1.00E+05 7.93E+05 bx >> C9HN-P8HA 8.472 4.414 2.55E+05 1.86E+06 bx >> P10HD2-C9QB 3.818 2.915 1.14E+04 8.69E+04 bx >> P10HD3-C9QB 3.771 2.912 1.43E+04 1.08E+05 bx >> T11HN-P10HA 8.066 4.482 2.24E+05 1.71E+06 bx >> A12HN-T11HA 8.134 4.231 3.74E+05 2.82E+06 bx >> F13HN-A12HA 8.077 4.272 2.14E+05 1.65E+06 bx >> F13QD-F13HA 7.232 4.579 5.47E+04 3.83E+05 bx >> F13QD-F13HB2 7.231 3.036 7.35E+04 6.02E+05 bx >> F13QD-F13HB3 7.231 3.111 7.17E+04 5.71E+05 bx >> F13QE-F13HA 7.342 4.575 7.84E+03 4.47E+04 bx >> F13QE-F13HB3 7.343 3.114 1.30E+04 9.29E+04 bx >> R14HN-F13HA 8.053 4.579 2.44E+05 1.87E+06 bx >> Q15HN-R14HA 8.303 4.261 3.16E+05 2.37E+06 bx >> I16HN-Q15HA 8.212 4.333 2.68E+05 2.01E+06 bx >> G17HN-I16HA 8.457 4.193 2.78E+05 2.14E+06 bx >> N18HN-G17QA 8.418 3.965 3.48E+05 2.47E+06 bx >> N18HD21-N18HB3 7.599 2.866 1.34E+04 8.64E+04 bx >> N18HD21-N18HB2 7.600 2.786 1.26E+04 9.06E+04 bx >> N18HD22-N18HB3 6.918 2.866 8.21E+03 4.11E+04 bx >> N18HD22-N18HB2 6.918 2.794 6.53E+03 3.64E+04 bx >> C19HN-N18HA 8.440 4.757 1.24E+04 8.83E+04 bx >> G20HN-C19HA 8.489 4.511 1.07E+05 8.45E+05 bx >> R21HN-G20HA1 8.048 3.937 2.39E+05 1.75E+06 bx >> F22HN-R21HA 8.125 4.221 2.97E+05 2.34E+06 bx >> F22QE-F22HB2 7.343 3.005 1.74E+04 1.27E+05 bx >> F22QE-F22HB3 7.343 3.180 1.52E+04 1.03E+05 bx >> F22QD-F22HB2 7.246 3.004 1.11E+05 8.61E+05 bx >> F22QD-R23HD2 7.247 3.170 9.34E+04 7.05E+05 bx >> F22QD-F22HA 7.248 4.661 6.25E+04 4.69E+05 bx >> F22HN-F22HA 8.137 4.667 3.45E+05 2.54E+06 bx >> V24HN-R23HA 8.115 4.332 3.66E+05 2.77E+06 bx >> R25HN-V24HA 8.477 4.089 4.40E+05 3.30E+06 bx >> C26HN-R25HA 8.463 4.349 3.38E+05 2.60E+06 bx >> R28HN-C27HA 8.403 4.538 2.14E+05 1.58E+06 bx >> C27HN-C26HA 8.512 4.537 3.41E+05 2.41E+06 bx >> I29HN-R28HA 8.279 4.391 1.19E+05 9.18E+05 bx >> ?-I29HA 7.982 4.173 1.12E+05 8.76E+05 bx >> W6HE1-W6HD1 10.104 7.267 1.20E+05 8.08E+05 bx >> W6HE1-W6HZ2 10.104 7.492 2.19E+04 1.53E+05 bx >> G17HN-I16QG2 8.457 0.914 3.33E+04 2.40E+05 bx >> R25HN-V24QQG 8.476 0.955 5.90E+04 4.27E+05 bx >> I16HN-I16QG2 8.211 0.917 2.22E+04 1.69E+05 bx >> I16HN-I16QD1 8.210 0.853 6.72E+03 4.75E+04 bx >> V24HN-V24QQG 8.116 0.960 1.11E+05 8.03E+05 bx >> I16HN-I16HG13 8.211 1.183 3.40E+04 2.73E+05 bx >> A12HN-T11QG2 8.134 1.192 2.28E+04 1.33E+05 bx >> T11HN-T11QG2 8.068 1.192 3.13E+04 2.17E+05 bx >> A12HN-A12QB 8.134 1.305 1.51E+05 1.08E+06 bx >> F13HN-A12QB 8.078 1.306 5.61E+04 3.88E+05 bx >> R23HN-R21QG 8.133 1.415 2.47E+04 1.70E+05 bx >> R21HN-R21QG 8.049 1.406 4.42E+04 3.44E+05 bx >> I16HN-I16HG12 8.210 1.476 2.61E+04 2.12E+05 bx >> R25HN-R25HG3 8.475 1.666 1.93E+04 1.59E+05 bx >> R25HN-R25HG2 8.476 1.617 1.69E+04 1.31E+05 bx >> R28HN-R28HG3 8.405 1.599 3.85E+03 3.34E+04 bx >> R23HN-R23QG 8.137 1.569 3.05E+04 2.47E+05 bx >> R14HN-R14HG3 8.054 1.553 2.29E+04 1.69E+05 bx >> R14HN-R14HG2 8.050 1.509 1.48E+04 1.16E+05 bx >> R21HN-R21QB 8.048 1.635 1.22E+05 1.01E+06 bx >> F22HN-R21QB 8.129 1.641 4.55E+04 3.60E+05 bx >> R14HN-R14HB2 8.053 1.686 6.25E+04 5.43E+05 bx >> R14HN-R14HB3 8.054 1.771 3.70E+04 2.79E+05 bx >> R30HN-R30HB2 7.985 1.739 9.53E+03 6.21E+04 bx >> R23HN-R23HB2 8.139 1.711 1.24E+05 9.59E+05 bx >> F22HN-R23HB3 8.136 1.796 5.03E+04 3.95E+05 bx >> V24HN-R23HB2 8.119 1.718 2.91E+04 2.38E+05 bx >> V24HN-R23HB3 8.114 1.785 3.08E+04 2.36E+05 bx >> Q15HN-R14HB2 8.300 1.691 1.41E+04 1.05E+05 bx >> Q15HN-R14HB3 8.302 1.770 1.71E+04 1.35E+05 bx >> R28HN-R28HB2 8.402 1.764 4.45E+04 3.60E+05 bx >> R25HN-R25HB2 8.476 1.776 9.70E+04 7.47E+05 bx >> R25HN-R25HB3 8.473 1.848 6.19E+04 5.06E+05 bx >> G17HN-I16HB 8.459 1.866 4.67E+04 3.79E+05 bx >> C9HN-P8HB3 8.475 1.929 1.76E+04 1.27E+05 bx >> R28HN-R28HB3 8.404 1.850 3.16E+04 2.48E+05 bx >> I29HN-I29HB 8.278 1.882 2.34E+04 1.81E+05 bx >> I16HN-I16HB 8.212 1.873 8.25E+04 6.45E+05 bx >> R30HN-R30HB3 7.983 1.863 7.29E+03 5.34E+04 bx >> T11HN-P10HB3 8.068 1.946 1.26E+04 8.76E+04 bx >> G7HN-P10QG 8.054 2.038 6.69E+03 3.63E+04 bx >> T11HN-P10QG 8.068 2.030 8.41E+03 5.23E+04 bx >> A12HN-P10HB3 8.134 1.950 2.44E+03 4.74E+03 bx >> I16HN-Q15HB3 8.212 1.965 1.53E+04 1.12E+05 bx >> Q15HN-Q15HB3 8.302 1.971 8.21E+04 6.48E+05 bx >> Q15HN-Q15HB2 8.303 2.085 4.18E+04 3.21E+05 bx >> I16HN-Q15HB2 8.212 2.081 2.06E+04 1.59E+05 bx >> V24HN-V24HB 8.117 2.063 9.70E+04 7.58E+05 bx >> R25HN-V24HB 8.475 2.064 3.37E+04 2.54E+05 bx >> C9HN-P8QG 8.475 1.997 1.10E+04 6.65E+04 bx >> Q15HN-Q15QG 8.301 2.339 2.22E+04 1.62E+05 bx >> C9HN-P8HB2 8.470 2.247 1.00E+04 6.53E+04 bx >> I16HN-Q15QG 8.208 2.337 9.22E+03 6.58E+04 bx >> T11HN-P10HB2 8.067 2.333 4.63E+03 1.84E+04 bx >> A12HN-P10HB2 8.134 2.324 2.66E+03 5.02E+03 bx >> N18HN-N18HB2 8.418 2.790 6.20E+04 4.89E+05 bx >> N18HN-N18HB3 8.417 2.862 4.77E+04 3.59E+05 bx >> R28HN-C26QB 8.402 2.921 2.75E+04 2.12E+05 bx >> C9HN-C9QB 8.468 2.918 1.83E+05 1.29E+06 bx >> C27HN-C26QB 8.512 2.923 9.73E+04 7.31E+05 bx >> G20HN-C19QB 8.490 2.983 2.53E+04 1.81E+05 bx >> C19HN-C19QB 8.441 2.981 8.26E+04 6.02E+05 bx >> W6HN-W6HB2 8.287 3.209 4.95E+04 3.82E+05 bx >> W6HN-W6HB3 8.285 3.348 2.09E+04 1.48E+05 bx >> F22HN-F22HB2 8.129 3.002 1.24E+05 9.50E+05 bx >> F13HN-F13HB2 8.078 3.039 1.02E+05 7.48E+05 bx >> F13HN-F13HB3 8.079 3.111 6.84E+04 5.30E+05 bx >> F22HN-F22HB3 8.130 3.171 7.96E+04 6.17E+05 bx >> R14HN-F13HB2 8.055 3.033 1.93E+04 1.37E+05 bx >> R14HN-F13HB3 8.051 3.106 2.53E+04 1.97E+05 bx >> G7HN-W6HB2 8.053 3.217 5.24E+03 3.32E+04 bx >> W6HE3-W6HB3 7.630 3.351 2.09E+04 1.58E+05 bx >> W6HE3-W6HB2 7.632 3.206 5.56E+03 4.71E+04 bx >> N1HD21-N1HB3 7.702 2.952 -1.22E+04 -9.10E+04 bx >> N1HD21-N1HB2 7.701 3.017 -1.23E+04 -8.71E+04 bx >> N1HD22-N1HB3 7.041 2.941 -5.99E+03 -3.86E+04 bx >> N1HD22-N1HB2 7.041 3.016 -6.38E+03 -4.22E+04 bx >> G2HN-N1HA 8.665 4.392 -2.06E+04 -1.53E+05 bx >> G20HN-G20QA 8.488 3.935 2.68E+05 2.01E+06 bx >> G17HN-G17QA 8.455 3.966 2.80E+05 2.13E+06 bx >> G2HN-G2QA 8.666 3.994 -8.24E+04 -5.40E+05 bx >> V24HN-V24HA 8.115 4.090 6.63E+04 5.03E+05 bx >> I16HN-I16HA 8.208 4.192 7.02E+04 5.32E+05 bx >> R21HN-R14HA 8.052 4.239 1.28E+05 1.08E+06 bx >> Q15HN-Q15HA 8.299 4.327 1.01E+05 7.36E+05 bx >> R28HN-R28HA 8.399 4.390 6.85E+04 5.03E+05 bx >> W6HN-W6HA 8.283 4.731 2.37E+04 1.65E+05 bx >> N18HN-N18HA 8.413 4.754 1.73E+04 1.27E+05 bx >> Q15HN-I16HA 8.286 4.190 1.72E+04 1.19E+05 bx >> I29HN-I29HA 8.272 4.165 2.19E+04 1.49E+05 bx >> I4HN-I4HA 8.145 4.063 1.25E+04 7.86E+04 bx >> W6HE3-W6HA 7.632 4.738 8.42E+03 6.13E+04 bx >> F22HN-F22QD 8.132 7.243 2.48E+04 1.85E+05 bx >> F13HN-F13QD 8.077 7.233 6.68E+03 3.51E+04 bx >> G7HN-W6HH2 8.052 7.229 4.56E+03 2.72E+04 bx >> C5HN-W6HD1 8.284 7.264 7.91E+03 3.85E+04 bx >> G20HN-R21HN 8.488 8.050 4.42E+04 3.35E+05 bx >> R25HN-F22HN 8.478 8.123 4.40E+04 3.39E+05 bx >> C19HN-R21HN 8.444 8.049 1.06E+04 7.95E+04 bx >> W6HN-G7HN 8.296 8.055 6.44E+04 5.14E+05 bx >> I29HN-R30HN 8.286 7.985 2.92E+04 2.21E+05 bx >> G17HN-I16HN 8.459 8.217 4.93E+04 3.80E+05 bx >> R28HN-I29HN 8.402 8.279 4.59E+04 3.51E+05 bx >> I16HN-G17HN 8.212 8.459 4.76E+04 3.68E+05 bx >> F22HN-R25HN 8.116 8.479 3.86E+04 2.90E+05 bx >> R21HN-G20HN 8.048 8.489 5.01E+04 3.83E+05 bx >> G7HN-W6HN 8.053 8.296 5.89E+04 4.45E+05 bx >> R30HN-I29HN 7.985 8.280 2.99E+04 2.18E+05 bx >> I4HN-C5HN 8.133 8.295 2.63E+04 1.58E+05 bx >> W6HZ2-W6HE1 7.488 10.107 2.37E+04 1.80E+05 bx >> W6HD1-W6HE1 7.265 10.107 1.56E+05 1.08E+06 bx >> A12HN-T11HN 8.134 8.063 3.39E+05 2.32E+06 bx >> T11HN-A12HN 8.056 8.130 1.90E+05 1.29E+06 bx >> Q15HN-I16HN 8.299 8.221 1.15E+05 9.07E+05 bx >> I16HN-Q15HN 8.217 8.290 8.02E+04 5.50E+05 bx >> ?-? 8.149 8.223 6.45E+04 4.01E+05 bx >> N1HD21-N1HD22 7.701 7.043 1.41E+06 1.00E+07 bx >> N18HD21-N18HD22 7.600 6.919 2.60E+06 1.78E+07 bx >> Q15HE21-Q15HE22 7.506 6.863 1.98E+06 1.37E+07 bx >> W6HE3-W6HZ3 7.637 7.155 3.72E+05 2.23E+06 bx >> W6HZ2-W6HH2 7.482 7.235 2.94E+05 2.00E+06 bx >> W6HD1-C5HN 7.266 8.286 1.16E+04 7.96E+04 bx >> F22QD-F22HN 7.248 8.128 3.74E+04 2.80E+05 bx >> W6HH2-T11HN 7.233 8.066 2.06E+04 1.47E+05 bx >> N1HD22-N1HD21 7.042 7.703 1.44E+06 1.03E+07 bx >> N18HD22-N18HD21 6.917 7.603 2.74E+06 1.87E+07 bx >> Q15HE22-Q15HE21 6.862 7.509 1.96E+06 1.38E+07 bx >> W6HZ3-W6HE3 7.150 7.636 2.48E+05 1.65E+06 bx >> W6HH2-W6HZ2 7.246 7.487 1.48E+05 1.14E+06 bx >> F22QD-F22QE 7.246 7.349 1.81E+06 1.36E+07 bx >> F13QD-F13QE 7.232 7.347 9.69E+05 6.93E+06 bx >> F13QE-F13QD 7.344 7.243 2.69E+06 1.95E+07 bx >> F22HZ-F22QD 7.304 7.254 4.01E+05 2.85E+06 bx >> W6HH2-W6HZ3 7.233 7.155 5.78E+05 4.32E+06 bx >> W6HZ3-W6HH2 7.157 7.232 4.87E+05 3.68E+06 bx >> F13HZ-F13QE 7.307 7.346 3.20E+06 2.48E+07 bx >> F13QE-F13HZ 7.344 7.306 3.09E+06 2.66E+07 bx >> W6HD1-W6HB3 7.265 3.350 2.10E+04 1.49E+05 bx >> W6HD1-W6HB2 7.266 3.214 5.62E+04 4.23E+05 bx >> ?-? 7.177 3.177 6.53E+04 4.78E+05 bx >> R14HE-R14QD 7.145 3.148 4.44E+04 3.28E+05 bx >> R21HE-R21QD 7.096 3.092 4.42E+04 3.12E+05 bx >> W6HD1-C5QB 7.262 2.827 9.41E+03 6.48E+04 bx >> R30HE-R30QG 7.202 1.595 -2.27E+04 -1.68E+05 bx >> W6HH2-A12QB 7.234 1.317 5.32E+03 2.65E+04 bx >> I4HA-I4QG2 4.047 0.620 1.46E+04 1.02E+05 bx >> I16HA-I16QD1 4.189 0.855 2.33E+04 1.71E+05 bx >> I16HA-I16QG2 4.190 0.918 8.80E+04 6.74E+05 bx >> V24HA-V24QQG 4.086 0.957 1.48E+05 1.07E+06 bx >> G17QA-I16QG2 3.966 0.916 1.41E+04 9.36E+04 bx >> R23HA-V24QQG 4.336 0.962 9.75E+03 7.04E+04 bx >> I29HA-I29QG2 4.168 0.927 2.65E+04 2.16E+05 bx >> T11HA-T11QG2 4.228 1.197 1.14E+05 8.38E+05 bx >> T11HB-T11QG2 4.195 1.194 1.69E+05 1.29E+06 bx >> R14HA-A12QB 4.266 1.307 1.37E+05 9.99E+05 bx >> R21HA-R21QG 4.223 1.408 3.63E+04 2.83E+05 bx >> I16HA-I16HG12 4.191 1.476 1.77E+04 1.31E+05 bx >> R14HA-R14HG2 4.256 1.525 2.45E+04 1.96E+05 bx >> R23HA-R23QG 4.334 1.565 2.78E+04 2.26E+05 bx >> R21HA-R21QB 4.223 1.645 1.44E+05 1.11E+06 bx >> ?-? 4.330 1.717 5.30E+04 4.12E+05 bx >> ?-? 4.339 1.786 6.98E+04 5.53E+05 bx >> R14HA-R14HB3 4.256 1.765 5.60E+04 4.45E+05 bx >> ?-? 4.346 1.850 3.93E+04 3.17E+05 bx >> Q15HA-Q15HB3 4.330 1.972 1.71E+04 1.51E+05 bx >> A3HA-A3QB 4.314 1.350 1.30E+05 8.07E+05 bx >> P10HD2-P10QG 3.822 2.034 4.52E+04 3.77E+05 bx >> P10HD3-P10QG 3.772 2.032 5.36E+04 3.95E+05 bx >> P10HD2-P10HB2 3.821 2.330 7.91E+03 6.03E+04 bx >> V24HA-V24HB 4.089 2.067 7.25E+04 5.60E+05 bx >> Q15HA-Q15HB2 4.329 2.085 7.26E+04 5.46E+05 bx >> Q15HA-Q15QG 4.337 2.338 2.26E+04 1.68E+05 bx >> P8HA-P8HB2 4.418 2.260 4.10E+04 2.97E+05 bx >> P10HA-P10HB2 4.479 2.323 6.11E+04 4.13E+05 bx >> I4HA-I4HB 4.042 1.715 1.39E+04 1.05E+05 bx >> P10HD2-P10HD3 3.820 3.778 7.23E+05 5.71E+06 bx >> P10HD3-P10HD2 3.774 3.820 7.09E+05 5.76E+06 bx >> G20QA-R21HN 3.931 8.050 2.55E+05 1.79E+06 bx >> G7QA-G7HN 4.008 8.055 8.24E+04 6.11E+05 bx >> I29HA-R30HN 4.168 7.985 1.24E+05 8.95E+05 bx >> T11HB-T11HN 4.202 8.064 5.44E+04 4.22E+05 bx >> T11HA-R21HN 4.230 8.065 1.44E+05 1.16E+06 bx >> A12HA-F13HN 4.269 8.076 1.85E+05 1.38E+06 bx >> A12HA-A12HN 4.271 8.133 6.20E+04 4.91E+05 bx >> T11HA-F22HN 4.228 8.130 3.53E+05 2.62E+06 bx >> A3HA-F22HN 4.329 8.128 2.85E+05 2.22E+06 bx >> V24HA-V24HN 4.085 8.118 6.86E+04 5.23E+05 bx >> Q15HA-I16HN 4.330 8.216 1.62E+05 1.30E+06 bx >> I16HA-I16HN 4.192 8.209 6.80E+04 5.22E+05 bx >> R14HA-Q15HN 4.256 8.304 2.42E+05 1.79E+06 bx >> Q15HA-Q15HN 4.334 8.299 5.50E+04 4.20E+05 bx >> R28HA-I29HN 4.386 8.279 5.93E+04 4.31E+05 bx >> I4HA-C5HN 4.048 8.280 1.82E+05 1.32E+06 bx >> P8HA-C9HN 4.409 8.473 9.54E+04 6.68E+05 bx >> R25HA-C26HN 4.347 8.465 2.14E+05 1.58E+06 bx >> V24HA-R25HN 4.086 8.478 4.74E+05 3.33E+06 bx >> I16HA-G17HN 4.190 8.459 3.06E+05 2.26E+06 bx >> G20QA-G20HN 3.932 8.490 2.68E+05 1.93E+06 bx >> G17QA-G17HN 3.965 8.454 2.72E+05 2.21E+06 bx >> G17QA-N18HN 3.963 8.428 2.83E+05 2.25E+06 bx >> C27HA-C27HN 4.536 8.518 2.56E+04 1.77E+05 bx >> G2QA-G2HN 4.006 8.667 -1.83E+04 -1.20E+05 bx >> G20QA-F22HN 3.931 8.131 1.51E+04 8.87E+04 bx >> I4HA-I4HN 4.041 8.139 1.52E+04 1.10E+05 bx >> W6HB3-W6HN 3.340 8.290 3.16E+04 2.27E+05 bx >> W6HB2-W6HN 3.224 8.286 2.04E+04 1.38E+05 bx >> F22HB3-F22HN 3.161 8.132 7.90E+04 5.84E+05 bx >> F13HB3-F13HN 3.106 8.079 6.86E+04 5.47E+05 bx >> F13HB2-F13HN 3.042 8.080 6.68E+04 5.06E+05 bx >> F22HB2-F22HN 3.006 8.130 8.11E+04 5.95E+05 bx >> C5QB-C5HN 2.824 8.287 5.12E+04 3.69E+05 bx >> C19QB-C19HN 2.982 8.441 6.81E+04 5.13E+05 bx >> C19QB-G20HN 2.982 8.486 2.31E+04 1.72E+05 bx >> C9QB-C9HN 2.917 8.467 1.45E+05 1.07E+06 bx >> C27QB-C27HN 2.922 8.508 6.19E+04 4.77E+05 bx >> N18HB3-N18HN 2.856 8.424 4.82E+04 3.54E+05 bx >> N18HB2-N18HN 2.792 8.423 4.87E+04 3.61E+05 bx >> N1HB2-N1HD21 3.006 7.703 -1.21E+04 -9.15E+04 bx >> N1HB3-N1HD21 2.958 7.699 -8.22E+03 -5.65E+04 bx >> W6HB3-W6HE3 3.353 7.631 8.15E+03 5.39E+04 bx >> N18HB3-N18HD21 2.856 7.605 4.95E+03 3.03E+04 bx >> N18HB2-N18HD21 2.791 7.606 1.00E+04 7.45E+04 bx >> W6HB3-W6HD1 3.342 7.269 1.14E+04 8.00E+04 bx >> F22HB3-F22QD 3.161 7.248 5.52E+04 3.94E+05 bx >> F13HB3-F13QD 3.105 7.229 4.94E+04 3.59E+05 bx >> F22HB2-F22QD 3.008 7.244 5.26E+04 3.95E+05 bx >> F13HB2-F13QD 3.039 7.230 4.26E+04 3.14E+05 bx >> R14QD-R14HE 3.148 7.153 1.67E+04 1.21E+05 bx >> R21QD-R21HE 3.095 7.107 2.15E+04 1.48E+05 bx >> N18HB2-N18HD22 2.791 6.917 4.13E+03 2.94E+04 bx >> F22HB3-F22HA 3.160 4.667 6.82E+04 5.25E+05 bx >> F22HB2-F22HA 3.005 4.662 4.16E+04 3.37E+05 bx >> F13HB3-F13HA 3.113 4.578 1.32E+05 8.36E+05 bx >> C26QB-C26HA 2.912 4.536 7.96E+04 5.91E+05 bx >> C19QB-C19HA 2.983 4.511 9.47E+04 6.72E+05 bx >> C5QB-C5HA 2.810 4.503 3.26E+04 2.13E+05 bx >> N1HB2-N1HA 3.020 4.389 1.04E+05 5.30E+05 bx >> C19QB-G20QA 2.984 3.941 7.61E+03 5.04E+04 bx >> C9QB-P10HD3 2.916 3.782 1.94E+04 1.39E+05 bx >> P8HD3-G7QA 3.573 4.009 1.14E+05 9.28E+05 bx >> P8HD2-G7QA 3.527 4.011 1.11E+05 8.86E+05 bx >> P8HD2-P8HD3 3.528 3.570 9.79E+05 7.88E+06 bx >> P8HD3-P8HD2 3.570 3.540 9.53E+05 8.14E+06 bx >> W6HB2-W6HB3 3.218 3.346 7.43E+05 5.96E+06 bx >> W6HB3-W6HB2 3.342 3.212 8.51E+05 6.64E+06 bx >> F22HB2-F22HB3 3.002 3.171 1.11E+06 8.32E+06 bx >> F22HB3-F22HB2 3.164 3.001 1.10E+06 8.57E+06 bx >> F13HB3-F13HB2 3.107 3.039 1.28E+06 9.64E+06 bx >> F13HB2-F13HB3 3.039 3.110 1.20E+06 9.32E+06 bx >> N1HB3-N1HB2 2.950 3.016 2.25E+06 1.69E+07 bx >> N1HB2-N1HB3 3.011 2.954 2.40E+06 1.92E+07 bx >> N18HB2-N18HB3 2.785 2.866 2.07E+06 1.48E+07 bx >> N18HB3-N18HB2 2.862 2.784 2.16E+06 1.53E+07 bx >> P8HD3-P8QG 3.575 2.003 1.22E+05 9.22E+05 bx >> P8HD2-P8QG 3.527 2.002 1.22E+05 9.38E+05 bx >> R28QD-R28HG2 3.191 1.640 6.59E+04 5.10E+05 bx >> R28QD-R28HG3 3.194 1.592 1.09E+05 8.14E+05 bx >> R23QD-R23QG 3.166 1.561 8.70E+04 7.04E+05 bx >> R14QD-R14QG 3.146 1.533 6.16E+04 5.48E+05 bx >> R21QD-R21QG 3.094 1.412 5.79E+04 4.48E+05 bx >> R21QD-R21QB 3.092 1.637 3.53E+04 2.72E+05 bx >> P8HD3-P8HB2 3.571 2.253 6.81E+03 4.58E+04 bx >> P8HD2-P8HB2 3.527 2.253 1.15E+04 8.55E+04 bx >> ?-? 3.163 1.781 2.33E+04 1.79E+05 bx >> R14QD-R14HB3 3.142 1.770 2.34E+04 1.84E+05 bx >> R14QD-R14HB2 3.147 1.688 1.56E+04 1.25E+05 bx >> R23QD-R23HB2 3.166 1.713 1.56E+04 1.19E+05 bx >> R30QD-T11QG2 3.203 1.198 2.87E+04 2.03E+05 bx >> Q15QG-Q15HN 2.335 8.308 2.44E+04 1.81E+05 bx >> V24HB-R25HN 2.065 8.476 2.33E+04 1.77E+05 bx >> P8HB2-C9HN 2.243 8.477 3.77E+03 2.28E+04 bx >> Q15QG-I16HN 2.340 8.217 5.53E+03 2.60E+04 bx >> V24HB-V24HN 2.060 8.120 6.46E+04 4.83E+05 bx >> Q15HB2-I16HN 2.076 8.219 1.06E+04 8.67E+04 bx >> Q15HB2-Q15HN 2.078 8.303 3.42E+04 2.63E+05 bx >> Q15HB3-Q15HN 1.967 8.306 4.58E+04 3.46E+05 bx >> Q15HB3-I16HN 1.970 8.215 1.04E+04 8.09E+04 bx >> P10QG-T11HN 2.025 8.072 1.03E+04 7.60E+04 bx >> P10HB3-T11HN 1.954 8.071 1.10E+04 8.65E+04 bx >> I16HB-I16HN 1.872 8.217 5.97E+04 4.52E+05 bx >> I29HB-I29HN 1.878 8.277 2.98E+04 2.10E+05 bx >> R28HB3-R28HN 1.851 8.404 2.30E+04 1.66E+05 bx >> R25HB3-R25HN 1.846 8.470 4.54E+04 3.56E+05 bx >> P8HB3-C9HN 1.924 8.473 8.98E+03 6.42E+04 bx >> R25HB2-R25HN 1.775 8.474 5.39E+04 4.11E+05 bx >> R28HB2-R28HN 1.768 8.410 2.77E+04 2.04E+05 bx >> R25HG3-R25HN 1.656 8.475 1.23E+04 9.35E+04 bx >> R25HG2-R25HN 1.611 8.478 1.52E+04 1.17E+05 bx >> R28HG2-R28HN 1.637 8.402 5.20E+03 3.76E+04 bx >> R14HB2-Q15HN 1.690 8.302 1.10E+04 8.49E+04 bx >> R14HB3-Q15HN 1.765 8.298 1.36E+04 1.11E+05 bx >> R23HB3-R23HN 1.786 8.133 4.88E+04 3.81E+05 bx >> R14HB3-R14HN 1.761 8.056 3.22E+04 2.46E+05 bx >> R30HB3-R30HN 1.867 7.981 7.43E+03 5.10E+04 bx >> R30HB2-R30HN 1.743 7.977 5.17E+03 3.84E+04 bx >> R23HB2-R23HN 1.714 8.138 8.32E+04 6.44E+05 bx >> R14HB2-R14HN 1.676 8.058 3.71E+04 2.80E+05 bx >> R21QB-R21HN 1.634 8.051 8.43E+04 6.26E+05 bx >> R21QB-F22HN 1.636 8.129 2.77E+04 2.19E+05 bx >> ?-? 1.592 8.128 2.19E+04 1.66E+05 bx >> R23QG-R23HN 1.560 8.134 2.33E+04 1.86E+05 bx >> R14HG2-R14HN 1.511 8.057 1.56E+04 1.17E+05 bx >> R14HG3-R14HN 1.543 8.055 1.62E+04 1.33E+05 bx >> I16HG12-I16HN 1.464 8.212 2.00E+04 1.50E+05 bx >> R21QG-F22HN 1.410 8.130 1.73E+04 1.31E+05 bx >> R21QG-R21HN 1.413 8.051 3.73E+04 2.76E+05 bx >> R14QG-Q15HN 1.532 8.310 5.88E+03 4.41E+04 bx >> A12QB-A12HN 1.304 8.133 1.32E+05 8.93E+05 bx >> A12QB-F13HN 1.308 8.077 7.12E+04 5.01E+05 bx >> T11QG2-T11HN 1.194 8.066 4.49E+04 3.12E+05 bx >> T11QG2-A12HN 1.193 8.130 1.82E+04 9.29E+04 bx >> V24QQG-V24HN 0.963 8.122 1.01E+05 7.23E+05 bx >> V24QQG-R25HN 0.952 8.476 4.62E+04 3.20E+05 bx >> I16QG2-G17HN 0.920 8.454 2.38E+04 1.31E+05 bx >> R30QG-R30HE 1.592 7.205 -7.48E+03 -4.92E+04 bx >> P10HB2-P10HA 2.322 4.484 6.23E+04 4.65E+05 bx >> P8HB2-P8HA 2.253 4.414 4.75E+04 3.55E+05 bx >> Q15QG-Q15HA 2.343 4.340 2.38E+04 1.73E+05 bx >> P10QG-P10HA 2.029 4.482 1.83E+04 1.42E+05 bx >> V24HB-R23HA 2.076 4.332 5.80E+04 4.36E+05 bx >> Q15HB3-Q15HA 1.970 4.331 3.29E+04 2.64E+05 bx >> P8QG-P8HA 2.001 4.416 2.55E+04 1.82E+05 bx >> P10HB3-P10HA 1.952 4.486 1.36E+04 1.09E+05 bx >> P8HB3-P8HA 1.917 4.415 2.32E+04 1.70E+05 bx >> Q15HB2-F13HA 2.088 4.574 3.85E+03 2.42E+04 bx >> R28HB3-R25HA 1.844 4.349 3.56E+04 2.71E+05 bx >> ?-? 1.782 4.339 7.93E+04 6.07E+05 bx >> ?-? 1.771 4.358 2.80E+04 2.69E+05 bx >> R28HB3-R28HA 1.851 4.376 2.31E+04 2.08E+05 bx >> R23HB2-R23HA 1.715 4.334 5.56E+04 4.22E+05 bx >> R23QG-R23HA 1.563 4.334 2.48E+04 1.84E+05 bx >> ?-? 1.594 4.338 2.38E+04 1.86E+05 bx >> R25HG3-R25HA 1.653 4.343 1.60E+04 1.28E+05 bx >> R14HB3-R14HA 1.763 4.262 4.64E+04 3.57E+05 bx >> R14HB2-R14HA 1.687 4.260 4.81E+04 3.79E+05 bx >> R21QB-R21HA 1.637 4.225 9.95E+04 7.43E+05 bx >> I29HB-R30HA 1.880 4.197 4.59E+04 3.34E+05 bx >> ?-I29HA 1.849 4.168 2.23E+04 1.64E+05 bx >> V24HB-V24HA 2.057 4.089 3.92E+04 2.99E+05 bx >> P8QG-G7QA 2.003 4.012 7.29E+03 5.22E+04 bx >> I4HB-I4HA 1.718 4.052 1.28E+04 8.94E+04 bx >> R14HG3-R14HA 1.541 4.263 2.51E+04 1.90E+05 bx >> R14HG2-R14HA 1.515 4.258 1.97E+04 1.55E+05 bx >> R21QG-R21HA 1.409 4.224 3.51E+04 2.52E+05 bx >> I16HG12-I16HA 1.483 4.196 7.52E+03 5.45E+04 bx >> A12QB-R14HA 1.308 4.275 1.75E+05 1.26E+06 bx >> T11QG2-T11HA 1.196 4.218 1.46E+05 1.17E+06 bx >> T11QG2-T11HB 1.193 4.197 1.52E+05 1.25E+06 bx >> V24QQG-V24HA 0.954 4.088 7.70E+04 6.29E+05 bx >> I16QG2-I16HA 0.919 4.198 6.55E+04 4.39E+05 bx >> I16QD1-I16HA 0.857 4.198 1.29E+04 9.07E+04 bx >> I4QG2-I4HA 0.619 4.051 9.00E+03 4.80E+04 bx >> A3QB-A3HA 1.351 4.322 1.67E+05 9.43E+05 bx >> P10QG-P10HD2 2.036 3.824 6.00E+04 4.73E+05 bx >> P10QG-P10HD3 2.026 3.773 6.63E+04 5.11E+05 bx >> P10HB3-P10HD2 1.951 3.824 1.74E+04 1.38E+05 bx >> P10HB3-P10HD3 1.950 3.773 2.26E+04 1.82E+05 bx >> P10HB2-P10HD2 2.322 3.826 9.01E+03 6.83E+04 bx >> P8HB2-P8HD2 2.248 3.528 1.31E+04 9.81E+04 bx >> P8QG-P8HD3 1.998 3.576 1.15E+05 9.19E+05 bx >> P8QG-P8HD2 1.999 3.528 1.38E+05 1.08E+06 bx >> P8HB3-P8HD3 1.930 3.579 3.02E+04 2.35E+05 bx >> P8HB3-P8HD2 1.931 3.534 2.91E+04 2.44E+05 bx >> P8HB2-P8HD3 2.248 3.569 1.36E+03 2.02E+04 bx >> R25HB3-R23QD 1.849 3.173 5.32E+03 3.17E+04 bx >> ?-? 1.781 3.174 3.48E+04 2.79E+05 bx >> ?-? 1.701 3.161 2.50E+04 1.96E+05 bx >> R14HB2-R14QD 1.694 3.154 2.97E+04 2.21E+05 bx >> ?-? 1.647 3.186 5.66E+04 4.33E+05 bx >> R21QB-R21QD 1.635 3.095 3.98E+04 3.09E+05 bx >> R14HG2-R14QD 1.515 3.145 3.92E+04 3.22E+05 bx >> ?-? 1.587 3.184 1.28E+05 9.36E+05 bx >> R14HG3-R14QD 1.544 3.151 8.40E+04 6.73E+05 bx >> V24QQG-V24HB 0.963 2.064 3.25E+05 2.31E+06 bx >> I16QG2-I16HB 0.909 1.871 8.00E+04 6.43E+05 bx >> I16QD1-I16HB 0.855 1.868 2.00E+04 1.42E+05 bx >> I4QG2-I4HB 0.624 1.718 1.38E+05 9.86E+05 bx >> I4HG13-I4HB 1.092 1.710 2.78E+04 2.11E+05 bx >> I16HG12-I16HB 1.469 1.875 3.77E+04 2.76E+05 bx >> I29QD1-I29HG12 0.857 1.480 3.02E+05 2.22E+06 bx >> I16QG2-I16HG12 0.916 1.484 2.18E+04 1.51E+05 bx >> I16QD1-I16HG12 0.850 1.459 1.61E+05 1.30E+06 bx >> I4QD1-I4HG12 0.798 1.416 1.14E+05 8.44E+05 bx >> I4QG2-I4HG13 0.620 1.110 8.83E+03 4.83E+04 bx >> I4QG2-I4QD1 0.617 0.792 2.23E+04 1.65E+05 bx >> I16QG2-I16HG13 0.918 1.188 6.04E+04 4.72E+05 bx >> I29QD1-I29HG13 0.868 1.192 2.88E+05 2.21E+06 bx >> I16QD1-I16HG13 0.861 1.166 1.29E+05 1.02E+06 bx >> I4QD1-I4HG13 0.811 1.104 2.30E+05 1.81E+06 bx >> P10QG-P10HB2 2.032 2.318 9.97E+04 8.02E+05 bx >> P8QG-P8HB2 2.007 2.249 2.03E+05 1.61E+06 bx >> Q15HB2-Q15QG 2.090 2.340 2.25E+05 1.78E+06 bx >> Q15HB3-Q15QG 1.968 2.327 1.41E+05 1.14E+06 bx >> P10HB3-P10HB2 1.937 2.322 1.42E+05 1.18E+06 bx >> P8HB3-P8HB2 1.931 2.252 1.66E+05 1.29E+06 bx >> Q15QG-Q15HB2 2.335 2.086 4.18E+05 3.17E+06 bx >> Q15QG-Q15HB3 2.337 1.966 2.14E+05 1.61E+06 bx >> P10HB2-P10HB3 2.324 1.952 1.43E+05 1.15E+06 bx >> P8HB2-P8HB3 2.246 1.926 1.46E+05 1.15E+06 bx >> P8HB2-P8QG 2.239 2.004 1.33E+05 1.05E+06 bx >> Q15HB2-Q15HB3 2.078 1.973 8.81E+05 6.96E+06 bx >> Q15HB3-Q15HB2 1.971 2.082 8.79E+05 6.94E+06 bx >> ?-? 1.655 1.851 3.58E+05 2.86E+06 bx >> ?-? 1.841 1.651 4.63E+05 3.87E+06 bx >> ?-? 1.836 1.609 3.55E+05 2.99E+06 bx >> ?-? 1.599 1.833 3.29E+05 2.67E+06 bx >> R21QG-R21QB 1.415 1.637 4.99E+05 4.00E+06 bx >> R14HG2-R14HB2 1.522 1.682 1.98E+05 1.56E+06 bx >> R14QG-R14HB2 1.555 1.703 3.37E+05 2.66E+06 bx >> ?-? 1.596 1.740 8.25E+05 7.04E+06 bx >> ?-? 1.597 1.762 7.35E+05 6.27E+06 bx >> ?-? 1.844 1.768 1.64E+06 1.36E+07 bx >> ?-? 1.768 1.851 1.53E+06 1.23E+07 bx >> ?-? 1.703 1.772 1.06E+06 9.07E+06 bx >> R30HB2-R30QG 1.742 1.594 7.13E+05 5.71E+06 bx >> R14HB3-R14HB2 1.763 1.688 8.51E+05 7.44E+06 bx >> I16HG13-I16HG12 1.195 1.472 3.35E+05 2.61E+06 bx >> R21QB-R21QG 1.628 1.412 5.14E+05 3.98E+06 bx >> I16HG12-I16HG13 1.465 1.188 4.38E+05 3.51E+06 bx >> I29HG12-I29QD1 1.487 0.866 1.90E+05 1.38E+06 bx >> I16HG13-I16QD1 1.194 0.874 1.29E+05 1.00E+06 bx >> V24HB-V24QQG 2.055 0.958 2.16E+05 1.61E+06 bx >> I4HG13-I4HG12 1.111 1.417 1.02E+05 8.08E+05 bx >> I4HG12-I4HG13 1.403 1.105 1.13E+05 9.16E+05 bx >> I16HG12-I16QG2 1.472 0.918 1.45E+04 1.22E+05 bx >> I29HB-I29QG2 1.889 0.922 3.86E+04 3.05E+05 bx >> I16HB-I16QG2 1.862 0.917 5.47E+04 4.26E+05 bx >> I16HB-I16QD1 1.869 0.853 2.90E+04 2.08E+05 bx >> I4HB-I4QG2 1.701 0.622 5.97E+04 4.41E+05 bx >> I4HG13-I4QD1 1.093 0.810 1.03E+05 8.02E+05 bx >> I4HG12-I4QG2 1.411 0.623 5.98E+03 4.05E+04 bx >> I4HG13-I4QG2 1.103 0.626 5.83E+03 4.47E+04 bx >> I4QD1-I4QG2 0.800 0.623 1.40E+04 1.03E+05 bx >> R21QG-R21QD 1.406 3.088 6.13E+04 4.55E+05 bx >> V24HA-R23HA 4.089 4.334 2.76E+04 2.17E+05 bx >> G2HN-N1HB2 8.663 3.013 -1.12E+04 -8.01E+04 bx >> G2HN-N1HB3 8.665 2.940 -5.64E+03 -3.38E+04 bx >> P10HB3-A12HN 1.950 8.133 5.30E+03 3.86E+04 bx >> C26HN-V24HB 8.464 2.068 1.90E+04 1.45E+05 bx >> C19HN-N18HB2 8.438 2.786 1.87E+04 1.50E+05 bx >> C26QB-C26HN 2.922 8.404 2.24E+04 1.37E+05 bx >> R28HA-R28HN 4.394 8.407 2.10E+04 1.53E+05 bx >> I29HA-I29HN 4.170 8.278 2.55E+04 1.77E+05 bx >> I16HA-Q15HN 4.193 8.302 9.67E+03 7.01E+04 bx >> ?-? 3.172 7.174 3.05E+04 1.95E+05 bx >> R30HA-R30HN 4.193 7.980 2.56E+04 2.08E+05 bx >> F22HN-G20QA 8.126 3.940 7.70E+03 5.01E+04 bx >> C5HN-C5QB 8.281 2.828 4.09E+04 3.08E+05 bx >> W6HB2-W6HA 3.218 4.743 1.65E+04 1.11E+05 bx >> W6HB3-W6HA 3.336 4.741 1.49E+04 1.24E+05 bx >> C19QB-F22HA 2.988 4.660 2.35E+04 2.02E+05 bx >> I16HB-G17HN 1.870 8.458 2.83E+04 2.33E+05 bx >> ?-? 4.391 1.863 1.79E+04 9.71E+04 bx >> P10HD2-P10HB3 3.822 1.951 8.72E+03 7.44E+04 bx >> P10HD3-P10HB3 3.771 1.952 1.31E+04 1.10E+05 bx >> P8HD3-P8HB3 3.569 1.931 2.26E+04 1.76E+05 bx >> P8HD2-P8HB3 3.521 1.936 2.37E+04 1.87E+05 bx >> ?-? 4.335 3.177 6.81E+03 5.07E+04 bx >> I16HB-I16HG12 1.869 1.474 6.10E+04 4.68E+05 bx >> I4HB-I4HG13 1.719 1.110 3.60E+04 2.80E+05 bx >> ?-? 1.904 1.489 9.53E+03 6.67E+04 bx >> ?-? 1.871 1.201 2.16E+04 1.76E+05 bx >> ?-? 3.338 8.051 6.44E+03 4.04E+04 bx >> ?-? 0.871 1.114 3.75E+04 2.40E+05 bx >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 H . . 11.4995 ppm . . . 4.704 . . 36321 3 >> 2 . . H 1 H . . 12.984 ppm . . . 4.704 . . 36321 3 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_4 _Saveframe_category spectral_peak_list _Details 'd8=500.000 ms' _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_2 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_4 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_4 >> _Spectral_peak_list.Entry_ID 36321 >> _Spectral_peak_list.ID 4 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $sample_2 >> _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 . >> _Spectral_peak_list.Chem_shift_reference_label . >> _Spectral_peak_list.Experiment_ID 4 >> _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 'd8=500.000 ms' >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >>Assignment w1 w2 Height Volume >> ?-? 7.340 4.657 5.92E+03 3.74E+04 bx >> ?-? 7.338 4.578 6.31E+03 3.97E+04 bx >> ?-? 7.227 4.578 4.45E+04 3.53E+05 bx >> ?-? 7.245 4.662 5.73E+04 4.52E+05 bx >> ?-? 4.049 1.107 1.11E+04 8.41E+04 bx >> ?-? 7.338 1.624 7.17E+03 4.77E+04 bx >> ?-? 4.386 1.609 1.68E+04 1.30E+05 bx >> ?-? 4.390 1.766 5.16E+04 3.90E+05 bx >> ?-? 4.385 1.852 6.36E+04 4.89E+05 bx >> ?-? 4.411 1.922 4.04E+04 3.31E+05 bx >> ?-? 4.412 2.004 2.31E+04 1.81E+05 bx >> ?-? 4.476 1.948 9.88E+04 7.37E+05 bx >> ?-? 4.480 2.029 3.97E+04 2.74E+05 bx >> ?-? 4.328 1.971 3.86E+02 8.56E+04 bx >> ?-? 4.329 2.085 1.39E+05 1.06E+06 bx >> ?-? 4.089 2.067 9.30E+04 7.02E+05 bx >> ?-? 4.406 2.252 9.03E+04 7.39E+05 bx >> ?-? 4.486 2.327 9.55E+04 7.70E+05 bx >> ?-? 4.466 2.322 8.97E+04 7.26E+05 bx >> ?-? 4.331 2.331 3.82E+04 3.14E+05 bx >> ?-? 4.565 2.379 1.64E+04 1.27E+05 bx >> ?-? 4.089 0.957 1.54E+05 1.19E+06 bx >> ?-? 4.226 1.196 1.64E+05 1.25E+06 bx >> ?-? 4.195 1.194 1.45E+05 1.17E+06 bx >> ?-? 4.220 1.412 6.15E+04 4.75E+05 bx >> ?-? 4.196 1.479 2.37E+04 1.76E+05 bx >> ?-? 3.821 1.957 1.86E+04 1.52E+05 bx >> ?-? 3.773 1.952 2.57E+04 2.06E+05 bx >> ?-? 4.166 1.886 6.66E+04 4.78E+05 bx >> ?-? 4.187 1.880 9.98E+04 7.31E+05 bx >> ?-? 4.199 1.854 9.87E+04 6.93E+05 bx >> ?-? 4.496 2.831 1.94E+05 1.44E+06 bx >> ?-? 4.664 3.006 7.00E+04 5.52E+05 bx >> ?-? 4.660 3.173 1.01E+05 8.03E+05 bx >> ?-? 3.822 4.782 1.13E+05 9.29E+05 bx >> ?-? 3.773 4.780 8.88E+04 7.24E+05 bx >> ?-? 2.905 4.777 8.14E+04 6.48E+05 bx >> ?-? 2.857 4.757 5.77E+04 4.45E+05 bx >> ?-? 2.786 4.758 5.44E+04 4.07E+05 bx >> ?-? 3.165 4.334 1.37E+04 1.03E+05 bx >> ?-? 3.137 4.252 1.06E+04 8.23E+04 bx >> ?-? 3.084 4.221 8.59E+03 6.33E+04 bx >> ?-? 3.771 2.328 9.84E+03 7.61E+04 bx >> ?-? 3.184 1.853 1.98E+04 1.54E+05 bx >> ?-? 2.028 4.772 5.22E+03 4.83E+04 bx >> ?-? 2.329 4.327 3.32E+04 2.62E+05 bx >> ?-? 0.617 1.417 1.92E+04 1.52E+05 bx >> ?-? 4.090 4.343 9.64E+03 7.61E+04 bx >> ?-? 4.264 4.574 7.32E+03 4.21E+04 bx >> ?-? 3.945 4.763 9.28E+03 5.53E+04 bx >> ?-? 3.933 4.759 1.08E+04 6.74E+04 bx >> P10HD2-P10HA 3.818 4.484 7.56E+03 5.52E+04 bx >> P10HD3-P10HA 3.775 4.484 4.55E+03 3.40E+04 bx >> ?-? 3.926 4.504 8.12E+03 4.88E+04 bx >> P8HD2-P8HA 3.518 4.419 3.38E+03 2.27E+04 bx >> P8HD3-P8HA 3.571 4.414 3.81E+03 3.00E+04 bx >> ?-? 3.654 4.237 5.98E+03 4.07E+04 bx >> ?-? 3.633 4.229 3.78E+03 2.33E+04 bx >> ?-? 4.224 3.929 1.23E+04 9.19E+04 bx >> ?-? 4.198 3.955 1.28E+04 9.02E+04 bx >> ?-? 4.574 4.261 7.18E+03 4.07E+04 bx >> ?-? 4.781 3.799 7.20E+04 5.12E+05 bx >> ?-? 4.413 3.532 1.12E+04 8.86E+04 bx >> ?-? 4.479 3.826 1.04E+04 7.70E+04 bx >> ?-? 4.411 4.022 4.81E+03 2.85E+04 bx >> ?-? 4.496 3.933 5.50E+03 3.44E+04 bx >> ?-? 4.480 3.771 6.53E+03 4.49E+04 bx >> ?-? 4.329 3.943 5.21E+03 3.07E+04 bx >> ?-? 3.960 4.206 1.15E+04 8.62E+04 bx >> ?-? 3.927 4.226 1.52E+04 9.97E+04 bx >> ?-? 4.576 4.396 1.91E+04 1.49E+05 bx >> ?-? 4.400 4.573 1.75E+04 1.21E+05 bx >> Q15HA-F13HA 4.331 4.566 1.11E+04 5.58E+04 bx >> ?-? 4.332 4.501 2.19E+04 1.09E+05 bx >> ?-? 4.262 4.502 9.43E+03 4.59E+04 bx >> ?-? 1.640 0.954 1.41E+04 1.13E+05 bx >> ?-? 1.683 0.951 8.32E+03 7.11E+04 bx >> ?-? 1.703 0.957 9.64E+03 7.70E+04 bx >> ?-? 1.741 0.956 9.00E+03 7.41E+04 bx >> ?-? 1.712 0.804 1.23E+04 9.86E+04 bx >> ?-? 4.403 4.504 3.05E+04 1.70E+05 bx >> ?-? 4.332 4.433 6.00E+04 2.98E+05 bx >> ?-? 4.499 4.600 2.13E+04 1.03E+05 bx >> ?-? 4.486 4.593 1.53E+04 4.58E+04 bx >> ?-? 4.469 4.573 9.52E+03 5.01E+04 bx >> ?-? 4.576 4.473 2.17E+04 1.29E+05 bx >> ?-? 4.534 4.368 1.73E+04 1.32E+05 bx >> ?-? 4.337 4.100 8.59E+03 6.50E+04 bx >> ?-? 3.832 3.919 1.53E+04 1.06E+05 bx >> ?-? 3.930 3.836 8.77E+04 4.80E+05 bx >> ?-? 3.821 3.688 1.70E+04 1.08E+05 bx >> ?-? 3.571 3.659 2.40E+04 1.81E+05 bx >> ?-? 3.530 3.659 1.39E+04 8.33E+04 bx >> ?-? 3.444 3.323 2.53E+04 2.10E+05 bx >> ?-? 3.315 3.446 1.93E+04 1.61E+05 bx >> ?-? 3.337 3.456 1.70E+04 1.27E+05 bx >> ?-? 3.354 3.454 1.55E+04 1.19E+05 bx >> ?-? 3.346 3.209 9.71E+05 7.53E+06 bx >> ?-? 3.312 3.224 2.00E+05 1.67E+06 bx >> ?-? 3.212 3.352 7.91E+05 6.35E+06 bx >> ?-? 3.093 3.286 2.34E+04 1.85E+05 bx >> ?-? 3.284 3.096 2.72E+04 2.30E+05 bx >> ?-? 2.879 2.971 1.59E+05 1.25E+06 bx >> ?-? 2.968 2.883 1.96E+05 1.59E+06 bx >> ?-? 2.963 2.876 1.88E+05 1.54E+06 bx >> ?-? 2.909 2.815 1.50E+05 7.98E+05 bx >> ?-? 2.785 2.867 1.53E+06 1.19E+07 bx >> ?-? 2.859 2.782 1.52E+06 1.21E+07 bx >> ?-? 2.658 2.814 5.70E+03 4.08E+04 bx >> ?-? 2.813 2.647 2.16E+04 1.53E+05 bx >> ?-? 2.394 2.179 1.88E+04 1.53E+05 bx >> ?-? 2.375 2.099 2.59E+04 2.04E+05 bx >> ?-? 2.179 2.402 2.27E+04 1.89E+05 bx >> ?-? 2.092 2.336 2.07E+05 1.72E+06 bx >> ?-? 2.030 2.321 9.64E+04 7.83E+05 bx >> ?-? 1.946 2.324 2.01E+05 1.66E+06 bx >> ?-? 1.931 2.246 1.74E+05 1.39E+06 bx >> ?-? 2.006 2.248 1.99E+05 1.62E+06 bx >> ?-? 2.239 2.006 1.45E+05 1.15E+06 bx >> ?-? 2.248 1.926 1.88E+05 1.50E+06 bx >> ?-? 2.320 1.962 2.74E+05 2.18E+06 bx >> ?-? 2.336 1.950 1.94E+05 1.59E+06 bx >> ?-? 2.080 1.974 8.70E+05 7.08E+06 bx >> ?-? 1.974 2.084 8.40E+05 6.76E+06 bx >> ?-? 2.006 2.165 3.24E+04 1.91E+05 bx >> ?-? 2.093 2.247 3.57E+04 2.64E+05 bx >> ?-? 2.083 2.182 1.83E+04 1.32E+05 bx >> ?-? 2.096 2.177 2.50E+04 1.52E+05 bx >> ?-? 2.075 2.172 2.32E+04 1.59E+05 bx >> ?-? 2.333 2.231 6.72E+04 4.65E+05 bx >> ?-? 2.090 1.879 3.92E+04 2.89E+05 bx >> ?-? 2.076 1.877 3.64E+04 2.67E+05 bx >> ?-? 1.963 2.167 2.78E+04 1.32E+05 bx >> ?-? 1.936 2.173 4.30E+04 2.46E+05 bx >> ?-? 1.919 2.159 2.02E+04 1.36E+05 bx >> ?-? 1.685 1.536 3.44E+05 2.98E+06 bx >> ?-? 1.763 1.553 2.76E+05 2.48E+06 bx >> ?-? 1.556 1.700 3.06E+05 2.52E+06 bx >> ?-? 0.869 1.103 4.42E+04 2.80E+05 bx >> ?-? 0.806 0.706 4.92E+04 3.17E+05 bx >> ?-? 3.821 3.784 8.00E+05 6.83E+06 bx >> ?-? 4.264 4.363 3.91E+04 2.64E+05 bx >> ?-? 4.537 4.633 2.70E+04 1.55E+05 bx >> ?-? 4.631 4.527 1.18E+04 9.52E+04 bx >> ?-? 7.632 3.353 3.00E+04 2.43E+05 bx >> ?-? 7.631 3.207 1.21E+04 1.01E+05 bx >> ?-? 7.339 3.169 2.04E+04 1.55E+05 bx >> ?-? 7.340 3.110 1.24E+04 9.53E+04 bx >> ?-? 7.340 3.013 2.45E+04 1.93E+05 bx >> ?-? 7.261 3.207 7.75E+04 6.04E+05 bx >> ?-? 7.245 3.172 9.68E+04 7.81E+05 bx >> ?-? 7.228 3.112 8.23E+04 6.65E+05 bx >> ?-? 7.231 3.028 9.47E+04 7.85E+05 bx >> ?-? 7.244 3.002 1.15E+05 9.42E+05 bx >> ?-? 7.261 3.342 3.13E+04 2.39E+05 bx >> ?-? 7.300 3.014 5.22E+03 3.83E+04 bx >> ?-? 7.302 3.179 7.18E+03 5.44E+04 bx >> ?-? 7.340 0.946 8.34E+03 6.35E+04 bx >> ?-? 7.224 1.296 5.69E+03 4.14E+04 bx >> ?-? 7.242 1.634 3.54E+03 2.27E+04 bx >> ?-? 7.293 0.945 3.90E+03 2.96E+04 bx >> ?-? 7.629 3.998 5.95E+03 4.59E+04 bx >> ?-? 7.228 4.346 6.40E+03 4.10E+04 bx >> ?-? 7.629 4.745 2.00E+04 1.32E+05 bx >> ?-? 7.634 4.713 9.48E+03 7.74E+04 bx >> ?-? 7.622 7.731 6.75E+03 3.54E+04 bx >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 H . . 11.4995 ppm . . . 5.1 . . 36321 4 >> 2 . . H 1 H . . 12.984 ppm . . . 5.1 . . 36321 4 >> >> stop_ >> >>save_ >> ; save_