data_30749 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the seed peptide C2 (VBP-1) from pumpkin ; _BMRB_accession_number 30749 _BMRB_flat_file_name bmr30749.str _Entry_type original _Submission_date 2020-04-29 _Accession_date 2020-04-29 _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 Payne C. P. . 2 Rosengren K. J. . 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" 289 "13C chemical shifts" 87 "15N chemical shifts" 43 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-10-19 original BMRB . stop_ _Original_release_date 2020-05-26 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Defining the Familial Fold of the Vicilin-Buried Peptide Family ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32997497 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Payne Colton D. . 2 Vadlamani Grishma . . 3 Fisher Mark F. . 4 Zhang Jingjing . . 5 Clark Richard J. . 6 Mylne Joshua S. . 7 Rosengren 'K Johan' J. . stop_ _Journal_abbreviation 'J. Nat. Prod.' _Journal_name_full 'Journal of natural products' _Journal_volume . _Journal_issue . _Journal_ISSN 1520-6025 _Journal_CSD . _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 'Seed peptide C2 (VBP-1)' _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 . _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 5844.458 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 49 _Mol_residue_sequence ; XRGSPRAEYEVCRLRCQVAE RGVEQQRKCEQVCEERLRER EQGRGEDVD ; loop_ _Residue_seq_code _Residue_label 1 PCA 2 ARG 3 GLY 4 SER 5 PRO 6 ARG 7 ALA 8 GLU 9 TYR 10 GLU 11 VAL 12 CYS 13 ARG 14 LEU 15 ARG 16 CYS 17 GLN 18 VAL 19 ALA 20 GLU 21 ARG 22 GLY 23 VAL 24 GLU 25 GLN 26 GLN 27 ARG 28 LYS 29 CYS 30 GLU 31 GLN 32 VAL 33 CYS 34 GLU 35 GLU 36 ARG 37 LEU 38 ARG 39 GLU 40 ARG 41 GLU 42 GLN 43 GLY 44 ARG 45 GLY 46 GLU 47 ASP 48 VAL 49 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_PCA _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common 'PYROGLUTAMIC ACID' _BMRB_code PCA _PDB_code PCA _Standard_residue_derivative . _Molecular_mass 129.114 _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 . ? CA CA C . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD CD C . 0 . ? OE OE O . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HG2 HG2 H . 0 . ? HG3 HG3 H . 0 . ? HXT HXT 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 CA ? ? SING N CD ? ? SING N H ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB CG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING CG CD ? ? SING CG HG2 ? ? SING CG HG3 ? ? DOUB CD OE ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? 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 Pumpkin 3661 Eukaryota Viridiplantae Cucurbita maxima 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 '2 mg/mL C2, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 2 mg/mL 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TopSpin _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version 3.97 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure calculation' 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 'Equipped with a cryoprobe.' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _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_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . mM pH 3.5 . 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 water C 13 protons ppm 4.769 internal indirect . . . 0.25144953 water H 1 protons ppm 4.769 internal direct . . . 1.0 water N 15 protons ppm 4.769 internal indirect . . . 0.10132912 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 TOCSY' '2D 1H-1H NOESY' '2D 1H-13C HSQC' '2D 1H-15N 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 PCA N N 125.325 0.000 . 2 1 1 PCA CA C 59.368 0.000 . 3 1 1 PCA CG C 27.746 0.000 . 4 1 1 PCA HA H 4.348 0.000 . 5 1 1 PCA HB2 H 2.021 0.000 . 6 1 1 PCA HB3 H 2.021 0.000 . 7 1 1 PCA HG2 H 2.511 0.000 . 8 1 1 PCA HG3 H 2.511 0.000 . 9 2 2 ARG H H 8.519 0.000 . 10 2 2 ARG HA H 4.267 0.000 . 11 2 2 ARG HB2 H 1.818 0.000 . 12 2 2 ARG HB3 H 1.747 0.000 . 13 2 2 ARG HG2 H 1.616 0.000 . 14 2 2 ARG HG3 H 1.616 0.000 . 15 2 2 ARG HD2 H 3.165 0.001 . 16 2 2 ARG HD3 H 3.165 0.001 . 17 2 2 ARG HE H 7.236 0.000 . 18 2 2 ARG CA C 57.963 0.000 . 19 2 2 ARG N N 121.489 0.000 . 20 3 3 GLY H H 8.636 0.000 . 21 3 3 GLY HA2 H 3.959 0.000 . 22 3 3 GLY HA3 H 3.959 0.000 . 23 3 3 GLY CA C 44.781 0.000 . 24 3 3 GLY N N 110.738 0.000 . 25 4 4 SER H H 8.238 0.000 . 26 4 4 SER HA H 4.765 0.000 . 27 4 4 SER HB2 H 4.138 0.000 . 28 4 4 SER HB3 H 3.928 0.000 . 29 4 4 SER CB C 63.013 0.000 . 30 4 4 SER N N 116.598 0.000 . 31 5 5 PRO HA H 4.245 0.000 . 32 5 5 PRO HB2 H 2.190 0.000 . 33 5 5 PRO HB3 H 1.837 0.000 . 34 5 5 PRO HG2 H 2.128 0.000 . 35 5 5 PRO HG3 H 1.933 0.000 . 36 5 5 PRO CA C 65.502 0.000 . 37 6 6 ARG H H 8.454 0.000 . 38 6 6 ARG HA H 4.042 0.000 . 39 6 6 ARG HB2 H 1.832 0.000 . 40 6 6 ARG HB3 H 1.710 0.000 . 41 6 6 ARG HG2 H 1.628 0.000 . 42 6 6 ARG HG3 H 1.628 0.000 . 43 6 6 ARG HD2 H 3.164 0.000 . 44 6 6 ARG HD3 H 3.164 0.000 . 45 6 6 ARG HE H 7.348 0.000 . 46 7 7 ALA H H 7.831 0.000 . 47 7 7 ALA HA H 4.155 0.000 . 48 7 7 ALA HB H 1.485 0.000 . 49 7 7 ALA CA C 55.052 0.000 . 50 7 7 ALA CB C 18.117 0.000 . 51 7 7 ALA N N 123.706 0.000 . 52 8 8 GLU H H 8.232 0.000 . 53 8 8 GLU HA H 3.997 0.000 . 54 8 8 GLU HB2 H 2.064 0.000 . 55 8 8 GLU HB3 H 2.064 0.000 . 56 8 8 GLU HG2 H 2.397 0.000 . 57 8 8 GLU HG3 H 2.276 0.000 . 58 8 8 GLU CA C 58.646 0.000 . 59 8 8 GLU CG C 35.071 0.000 . 60 8 8 GLU N N 117.777 0.000 . 61 9 9 TYR H H 8.127 0.000 . 62 9 9 TYR HA H 4.630 0.000 . 63 9 9 TYR HB2 H 3.254 0.000 . 64 9 9 TYR HB3 H 3.157 0.000 . 65 9 9 TYR HD1 H 6.984 0.005 . 66 9 9 TYR HD2 H 6.984 0.005 . 67 9 9 TYR HE1 H 6.613 0.000 . 68 9 9 TYR HE2 H 6.613 0.000 . 69 9 9 TYR CA C 60.360 0.000 . 70 9 9 TYR CB C 38.509 0.000 . 71 9 9 TYR N N 122.000 0.000 . 72 10 10 GLU H H 8.048 0.000 . 73 10 10 GLU HA H 3.839 0.000 . 74 10 10 GLU HB2 H 2.135 0.000 . 75 10 10 GLU HB3 H 2.135 0.000 . 76 10 10 GLU HG2 H 2.576 0.000 . 77 10 10 GLU HG3 H 2.576 0.000 . 78 10 10 GLU CA C 58.666 0.000 . 79 10 10 GLU CG C 33.502 0.000 . 80 10 10 GLU N N 118.825 0.000 . 81 11 11 VAL H H 7.619 0.000 . 82 11 11 VAL HA H 3.612 0.000 . 83 11 11 VAL HB H 2.066 0.000 . 84 11 11 VAL HG2 H 0.913 0.000 . 85 11 11 VAL CA C 66.359 0.000 . 86 11 11 VAL CG1 C 22.391 0.000 . 87 11 11 VAL CG2 C 20.933 0.000 . 88 11 11 VAL N N 119.114 0.000 . 89 12 12 CYS H H 8.003 0.000 . 90 12 12 CYS HA H 4.093 0.000 . 91 12 12 CYS HB2 H 3.419 0.000 . 92 12 12 CYS HB3 H 3.065 0.000 . 93 12 12 CYS CA C 59.957 0.000 . 94 12 12 CYS CB C 36.712 0.000 . 95 12 12 CYS N N 120.645 0.000 . 96 13 13 ARG H H 8.502 0.000 . 97 13 13 ARG HA H 3.563 0.000 . 98 13 13 ARG HB2 H 1.564 0.000 . 99 13 13 ARG HB3 H 1.406 0.001 . 100 13 13 ARG HG2 H 1.340 0.000 . 101 13 13 ARG HG3 H 1.224 0.000 . 102 13 13 ARG HD2 H 2.985 0.000 . 103 13 13 ARG HD3 H 2.784 0.002 . 104 13 13 ARG HE H 7.190 0.000 . 105 13 13 ARG CA C 59.946 0.000 . 106 13 13 ARG CB C 29.690 0.000 . 107 13 13 ARG CG C 27.367 0.000 . 108 13 13 ARG N N 119.906 0.000 . 109 14 14 LEU H H 7.812 0.000 . 110 14 14 LEU HA H 4.038 0.000 . 111 14 14 LEU HB2 H 1.729 0.000 . 112 14 14 LEU HB3 H 1.640 0.000 . 113 14 14 LEU HD1 H 0.860 0.000 . 114 14 14 LEU HD2 H 0.831 0.000 . 115 14 14 LEU CA C 57.894 0.000 . 116 14 14 LEU CD2 C 23.618 0.000 . 117 14 14 LEU N N 120.504 0.000 . 118 15 15 ARG H H 8.041 0.000 . 119 15 15 ARG HA H 4.038 0.000 . 120 15 15 ARG HB2 H 1.935 0.000 . 121 15 15 ARG HB3 H 1.935 0.000 . 122 15 15 ARG HG2 H 1.760 0.000 . 123 15 15 ARG HG3 H 1.633 0.000 . 124 15 15 ARG HD2 H 3.116 0.000 . 125 15 15 ARG HD3 H 3.116 0.000 . 126 15 15 ARG HE H 7.161 0.002 . 127 15 15 ARG CA C 57.871 0.000 . 128 15 15 ARG N N 119.003 0.000 . 129 16 16 CYS H H 7.921 0.000 . 130 16 16 CYS HA H 4.445 0.000 . 131 16 16 CYS HB2 H 3.312 0.000 . 132 16 16 CYS HB3 H 2.972 0.000 . 133 16 16 CYS CA C 56.590 0.000 . 134 16 16 CYS CB C 37.166 0.000 . 135 16 16 CYS N N 116.228 0.000 . 136 17 17 GLN H H 7.653 0.000 . 137 17 17 GLN HA H 3.997 0.000 . 138 17 17 GLN HB2 H 2.486 0.000 . 139 17 17 GLN HB3 H 2.486 0.000 . 140 17 17 GLN HG2 H 2.259 0.000 . 141 17 17 GLN HG3 H 2.205 0.000 . 142 17 17 GLN HE21 H 7.207 0.001 . 143 17 17 GLN HE22 H 6.718 0.001 . 144 17 17 GLN CA C 59.440 0.000 . 145 17 17 GLN N N 116.545 0.000 . 146 18 18 VAL H H 7.583 0.000 . 147 18 18 VAL HA H 4.059 0.000 . 148 18 18 VAL HB H 2.111 0.000 . 149 18 18 VAL HG2 H 0.928 0.000 . 150 18 18 VAL CA C 63.316 0.000 . 151 18 18 VAL CG1 C 20.933 0.000 . 152 18 18 VAL CG2 C 20.933 0.000 . 153 18 18 VAL N N 114.979 0.000 . 154 19 19 ALA H H 8.179 0.000 . 155 19 19 ALA HA H 4.269 0.000 . 156 19 19 ALA HB H 1.434 0.001 . 157 19 19 ALA CA C 56.383 0.000 . 158 19 19 ALA CB C 19.917 0.000 . 159 20 20 GLU H H 7.500 0.000 . 160 20 20 GLU HA H 4.617 0.000 . 161 20 20 GLU HB2 H 2.070 0.000 . 162 20 20 GLU HB3 H 1.878 0.000 . 163 20 20 GLU HG2 H 2.455 0.000 . 164 20 20 GLU HG3 H 2.298 0.000 . 165 20 20 GLU CA C 54.019 0.000 . 166 20 20 GLU CB C 32.530 0.000 . 167 20 20 GLU N N 114.099 0.000 . 168 21 21 ARG H H 8.463 0.000 . 169 21 21 ARG HA H 4.379 0.000 . 170 21 21 ARG HB2 H 1.571 0.000 . 171 21 21 ARG HB3 H 1.571 0.000 . 172 21 21 ARG HG2 H 1.832 0.000 . 173 21 21 ARG HG3 H 1.713 0.001 . 174 21 21 ARG HD2 H 3.154 0.000 . 175 21 21 ARG HD3 H 3.154 0.000 . 176 21 21 ARG HE H 7.172 0.000 . 177 21 21 ARG CA C 55.802 0.000 . 178 21 21 ARG CB C 31.074 0.000 . 179 21 21 ARG N N 121.296 0.000 . 180 22 22 GLY H H 8.340 0.000 . 181 22 22 GLY HA2 H 4.248 0.000 . 182 22 22 GLY HA3 H 3.918 0.000 . 183 22 22 GLY CA C 44.349 0.000 . 184 22 22 GLY N N 110.668 0.000 . 185 23 23 VAL H H 8.427 0.000 . 186 23 23 VAL HA H 3.694 0.000 . 187 23 23 VAL HB H 2.021 0.000 . 188 23 23 VAL HG2 H 0.941 0.000 . 189 23 23 VAL CA C 66.152 0.000 . 190 23 23 VAL CB C 31.756 0.000 . 191 23 23 VAL CG1 C 21.576 0.000 . 192 23 23 VAL CG2 C 20.568 0.000 . 193 23 23 VAL N N 122.352 0.000 . 194 24 24 GLU H H 8.637 0.000 . 195 24 24 GLU HA H 4.049 0.000 . 196 24 24 GLU HB2 H 2.046 0.000 . 197 24 24 GLU HB3 H 1.974 0.000 . 198 24 24 GLU HG2 H 2.383 0.000 . 199 24 24 GLU HG3 H 2.383 0.000 . 200 24 24 GLU CA C 58.263 0.000 . 201 24 24 GLU CG C 31.869 0.000 . 202 24 24 GLU N N 120.170 0.000 . 203 25 25 GLN H H 8.321 0.000 . 204 25 25 GLN HA H 3.959 0.000 . 205 25 25 GLN HB2 H 2.093 0.000 . 206 25 25 GLN HB3 H 2.093 0.000 . 207 25 25 GLN HG2 H 2.541 0.000 . 208 25 25 GLN HG3 H 2.449 0.000 . 209 25 25 GLN HE21 H 7.559 0.002 . 210 25 25 GLN HE22 H 6.882 0.001 . 211 25 25 GLN CA C 59.025 0.000 . 212 25 25 GLN CB C 32.734 0.000 . 213 25 25 GLN CG C 34.503 0.000 . 214 25 25 GLN N N 119.096 0.000 . 215 26 26 GLN H H 8.402 0.000 . 216 26 26 GLN HA H 3.732 0.000 . 217 26 26 GLN HB2 H 2.352 0.000 . 218 26 26 GLN HB3 H 2.352 0.000 . 219 26 26 GLN HG2 H 2.434 0.000 . 220 26 26 GLN HG3 H 2.434 0.000 . 221 26 26 GLN HE21 H 7.439 0.000 . 222 26 26 GLN HE22 H 6.761 0.001 . 223 26 26 GLN CA C 60.183 0.000 . 224 26 26 GLN N N 120.855 0.000 . 225 27 27 ARG H H 8.342 0.000 . 226 27 27 ARG HA H 4.007 0.000 . 227 27 27 ARG HB2 H 1.908 0.000 . 228 27 27 ARG HB3 H 1.787 0.001 . 229 27 27 ARG HG2 H 1.609 0.000 . 230 27 27 ARG HG3 H 1.609 0.000 . 231 27 27 ARG HD2 H 3.150 0.000 . 232 27 27 ARG HD3 H 3.150 0.000 . 233 27 27 ARG HE H 7.246 0.001 . 234 27 27 ARG CA C 57.917 0.000 . 235 27 27 ARG N N 119.659 0.000 . 236 28 28 LYS H H 7.917 0.000 . 237 28 28 LYS HA H 4.045 0.000 . 238 28 28 LYS HB2 H 1.849 0.000 . 239 28 28 LYS HB3 H 1.849 0.000 . 240 28 28 LYS HG2 H 1.551 0.000 . 241 28 28 LYS HG3 H 1.437 0.000 . 242 28 28 LYS CA C 59.232 0.000 . 243 28 28 LYS CB C 29.422 0.000 . 244 28 28 LYS CG C 25.023 0.000 . 245 28 28 LYS N N 120.135 0.000 . 246 29 29 CYS H H 7.766 0.000 . 247 29 29 CYS HA H 4.228 0.000 . 248 29 29 CYS HB2 H 3.443 0.000 . 249 29 29 CYS HB3 H 3.010 0.000 . 250 29 29 CYS CA C 59.740 0.000 . 251 29 29 CYS CB C 35.245 0.000 . 252 30 30 GLU H H 8.584 0.000 . 253 30 30 GLU HA H 3.670 0.000 . 254 30 30 GLU HB2 H 2.235 0.001 . 255 30 30 GLU HB3 H 2.136 0.000 . 256 30 30 GLU HG2 H 2.644 0.000 . 257 30 30 GLU HG3 H 2.644 0.000 . 258 30 30 GLU CA C 59.537 0.000 . 259 30 30 GLU CG C 34.732 0.000 . 260 30 30 GLU N N 120.662 0.000 . 261 31 31 GLN H H 8.217 0.000 . 262 31 31 GLN HA H 4.107 0.000 . 263 31 31 GLN HB2 H 2.207 0.000 . 264 31 31 GLN HB3 H 2.207 0.000 . 265 31 31 GLN HG2 H 2.286 0.000 . 266 31 31 GLN HG3 H 2.286 0.000 . 267 31 31 GLN CA C 59.048 0.000 . 268 31 31 GLN CB C 32.066 0.000 . 269 31 31 GLN N N 121.366 0.000 . 270 32 32 VAL H H 7.764 0.000 . 271 32 32 VAL HA H 3.749 0.000 . 272 32 32 VAL HB H 2.359 0.000 . 273 32 32 VAL HG2 H 0.940 0.000 . 274 32 32 VAL CA C 66.741 0.000 . 275 32 32 VAL CG1 C 22.391 0.000 . 276 32 32 VAL CG2 C 21.233 0.000 . 277 32 32 VAL N N 121.947 0.000 . 278 33 33 CYS H H 7.882 0.000 . 279 33 33 CYS HA H 4.383 0.000 . 280 33 33 CYS HB2 H 3.272 0.001 . 281 33 33 CYS HB3 H 3.168 0.000 . 282 33 33 CYS CA C 57.045 0.000 . 283 33 33 CYS CB C 36.237 0.000 . 284 33 33 CYS N N 117.108 0.000 . 285 34 34 GLU H H 8.398 0.000 . 286 34 34 GLU HA H 4.035 0.000 . 287 34 34 GLU HB2 H 2.341 0.000 . 288 34 34 GLU HB3 H 2.225 0.000 . 289 34 34 GLU HG2 H 2.510 0.000 . 290 34 34 GLU HG3 H 2.510 0.000 . 291 34 34 GLU CA C 59.301 0.000 . 292 35 35 GLU H H 8.199 0.000 . 293 35 35 GLU HA H 4.228 0.000 . 294 35 35 GLU HB2 H 2.517 0.000 . 295 35 35 GLU HB3 H 2.517 0.000 . 296 35 35 GLU HG2 H 2.074 0.000 . 297 35 35 GLU HG3 H 2.074 0.000 . 298 35 35 GLU CA C 56.948 0.000 . 299 35 35 GLU N N 118.217 0.000 . 300 36 36 ARG H H 8.042 0.000 . 301 36 36 ARG HA H 4.221 0.000 . 302 36 36 ARG HB2 H 2.008 0.000 . 303 36 36 ARG HB3 H 1.918 0.001 . 304 36 36 ARG HG2 H 1.826 0.000 . 305 36 36 ARG HG3 H 1.730 0.000 . 306 36 36 ARG HD2 H 3.254 0.000 . 307 36 36 ARG HD3 H 3.150 0.000 . 308 36 36 ARG HE H 7.523 0.000 . 309 36 36 ARG CA C 57.456 0.000 . 310 36 36 ARG N N 119.207 0.000 . 311 37 37 LEU H H 7.630 0.000 . 312 37 37 LEU HA H 4.266 0.000 . 313 37 37 LEU HB2 H 1.450 0.000 . 314 37 37 LEU HB3 H 1.318 0.000 . 315 37 37 LEU HG H 1.853 0.000 . 316 37 37 LEU HD1 H 0.681 0.000 . 317 37 37 LEU HD2 H 0.305 0.000 . 318 37 37 LEU CA C 56.487 0.000 . 319 37 37 LEU CG C 26.802 0.000 . 320 37 37 LEU CD2 C 24.406 0.000 . 321 37 37 LEU N N 120.821 0.000 . 322 38 38 ARG H H 8.234 0.000 . 323 38 38 ARG HA H 4.045 0.000 . 324 38 38 ARG HB2 H 1.956 0.000 . 325 38 38 ARG HB3 H 1.956 0.000 . 326 38 38 ARG HG2 H 1.801 0.001 . 327 38 38 ARG HG3 H 1.730 0.000 . 328 38 38 ARG HD2 H 3.171 0.000 . 329 38 38 ARG HD3 H 3.171 0.000 . 330 38 38 ARG HE H 7.302 0.000 . 331 38 38 ARG CA C 57.848 0.000 . 332 38 38 ARG N N 118.709 0.000 . 333 39 39 GLU H H 8.360 0.000 . 334 39 39 GLU HA H 4.031 0.000 . 335 39 39 GLU HB2 H 2.274 0.000 . 336 39 39 GLU HB3 H 2.177 0.000 . 337 39 39 GLU HG2 H 2.551 0.000 . 338 39 39 GLU HG3 H 2.493 0.000 . 339 39 39 GLU CA C 58.863 0.000 . 340 39 39 GLU N N 121.067 0.000 . 341 40 40 ARG H H 8.009 0.000 . 342 40 40 ARG HA H 3.966 0.000 . 343 40 40 ARG HB2 H 1.873 0.000 . 344 40 40 ARG HB3 H 1.733 0.001 . 345 40 40 ARG HG2 H 1.568 0.000 . 346 40 40 ARG HG3 H 1.568 0.000 . 347 40 40 ARG HD2 H 3.164 0.000 . 348 40 40 ARG HD3 H 3.164 0.000 . 349 40 40 ARG HE H 7.282 0.000 . 350 40 40 ARG CA C 59.048 0.000 . 351 40 40 ARG N N 118.111 0.000 . 352 41 41 GLU H H 7.968 0.000 . 353 41 41 GLU HA H 4.052 0.000 . 354 41 41 GLU HB2 H 2.624 0.000 . 355 41 41 GLU HB3 H 2.438 0.000 . 356 41 41 GLU HG2 H 2.177 0.000 . 357 41 41 GLU HG3 H 2.177 0.000 . 358 41 41 GLU CA C 58.817 0.000 . 359 41 41 GLU CB C 33.873 0.000 . 360 41 41 GLU N N 117.654 0.000 . 361 42 42 GLN H H 7.919 0.000 . 362 42 42 GLN HA H 4.272 0.000 . 363 42 42 GLN HB2 H 2.153 0.001 . 364 42 42 GLN HB3 H 2.067 0.000 . 365 42 42 GLN HG2 H 2.428 0.000 . 366 42 42 GLN HG3 H 2.428 0.000 . 367 42 42 GLN CA C 53.492 0.000 . 368 42 42 GLN N N 118.332 0.000 . 369 43 43 GLY H H 8.168 0.000 . 370 43 43 GLY HA2 H 3.980 0.000 . 371 43 43 GLY HA3 H 3.918 0.000 . 372 43 43 GLY CA C 45.500 0.000 . 373 43 43 GLY N N 108.662 0.000 . 374 44 44 ARG H H 8.130 0.000 . 375 44 44 ARG HA H 4.376 0.000 . 376 44 44 ARG HB2 H 1.887 0.000 . 377 44 44 ARG HB3 H 1.732 0.000 . 378 44 44 ARG HG2 H 1.613 0.000 . 379 44 44 ARG HG3 H 1.613 0.000 . 380 44 44 ARG HD2 H 3.178 0.000 . 381 44 44 ARG HD3 H 3.178 0.000 . 382 44 44 ARG HE H 7.193 0.000 . 383 44 44 ARG CA C 55.802 0.000 . 384 44 44 ARG N N 119.941 0.000 . 385 45 45 GLY H H 8.428 0.000 . 386 45 45 GLY HA2 H 3.904 0.000 . 387 45 45 GLY HA3 H 3.904 0.000 . 388 45 45 GLY CA C 45.273 0.000 . 389 45 45 GLY N N 109.472 0.000 . 390 46 46 GLU H H 8.197 0.000 . 391 46 46 GLU HA H 4.321 0.000 . 392 46 46 GLU HB2 H 1.911 0.000 . 393 46 46 GLU HB3 H 1.911 0.000 . 394 46 46 GLU HG2 H 2.366 0.000 . 395 46 46 GLU HG3 H 2.366 0.000 . 396 46 46 GLU CA C 55.711 0.000 . 397 46 46 GLU N N 119.167 0.000 . 398 47 47 ASP H H 8.477 0.000 . 399 47 47 ASP HA H 4.668 0.000 . 400 47 47 ASP HB2 H 2.841 0.000 . 401 47 47 ASP HB3 H 2.718 0.000 . 402 47 47 ASP CA C 53.337 0.000 . 403 47 47 ASP CB C 33.829 0.000 . 404 47 47 ASP N N 120.170 0.000 . 405 48 48 VAL H H 7.980 0.000 . 406 48 48 VAL HA H 4.118 0.000 . 407 48 48 VAL HB H 2.073 0.000 . 408 48 48 VAL HG2 H 0.859 0.001 . 409 48 48 VAL CA C 61.960 0.000 . 410 48 48 VAL CB C 31.735 0.000 . 411 48 48 VAL CG1 C 21.018 0.000 . 412 48 48 VAL CG2 C 19.882 0.000 . 413 48 48 VAL N N 119.149 0.000 . 414 49 49 ASP H H 8.150 0.000 . 415 49 49 ASP HA H 4.513 0.000 . 416 49 49 ASP HB2 H 2.816 0.000 . 417 49 49 ASP HB3 H 2.756 0.000 . 418 49 49 ASP CA C 53.410 0.000 . 419 49 49 ASP CB C 39.491 0.000 . stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details . _Experiment_label '2D 1H-1H NOESY' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H H 2 H H stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_1 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_1 >> _Spectral_peak_list.Entry_ID 30749 >> _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 2 >> _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID 1 >> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 2 >>#INAME 1 1H >>#INAME 2 1H >> 2 4.630 8.127 1 U 3.531e+05 0.00e+00 e 0 114 112 0 >> 3 3.254 8.127 1 U 7.376e+05 0.00e+00 e 0 116 112 0 >> 4 3.157 8.127 1 U 3.597e+05 0.00e+00 e 0 117 112 0 >> 8 1.318 7.630 1 U 4.533e+04 0.00e+00 e 0 608 603 0 >> 9 1.450 7.630 1 U 6.426e+05 0.00e+00 e 0 607 603 0 >> 10 1.853 7.630 1 U 7.061e+05 0.00e+00 e 0 611 603 0 >> 11 4.266 7.630 1 U 4.102e+05 0.00e+00 e 0 605 603 0 >> 12 4.630 8.048 1 U 8.137e+04 0.00e+00 e 0 114 135 0 >> 13 3.254 8.048 1 U 9.004e+04 0.00e+00 e 0 116 135 0 >> 14 3.157 8.048 1 U 8.617e+04 0.00e+00 e 0 117 135 0 >> 15 3.839 8.048 1 U 4.404e+05 0.00e+00 e 0 137 135 0 >> 16 2.576 8.048 1 U 5.767e+05 0.00e+00 e 0 145 135 0 >> 17 2.135 8.048 1 U 2.452e+05 0.00e+00 e 0 141 135 0 >> 18 3.612 7.619 1 U 4.808e+05 0.00e+00 e 0 152 150 0 >> 19 2.066 7.619 1 U 8.680e+05 0.00e+00 e 0 154 150 0 >> 20 1.038 7.619 1 U 7.109e+05 0.00e+00 e 0 155 150 0 >> 21 0.913 7.619 1 U 1.093e+05 0.00e+00 e 0 156 150 0 >> 22 2.576 7.619 1 U 3.268e+04 0.00e+00 e 0 145 150 0 >> 23 2.135 7.619 1 U 1.420e+05 0.00e+00 e 0 141 150 0 >> 24 3.839 7.619 1 U 9.975e+04 0.00e+00 e 0 137 150 0 >> 25 3.612 8.003 1 U 9.318e+04 0.00e+00 e 0 152 168 0 >> 26 2.066 8.003 1 U 5.532e+05 0.00e+00 e 0 154 168 0 >> 27 1.038 8.003 1 U 4.685e+04 0.00e+00 e 0 155 168 0 >> 28 0.913 8.003 1 U 1.575e+05 0.00e+00 e 0 156 168 0 >> 29 3.419 8.003 1 U 5.794e+05 0.00e+00 e 0 172 168 0 >> 30 3.064 8.003 1 U 8.094e+05 0.00e+00 e 0 173 168 0 >> 31 4.093 8.003 1 U 2.194e+05 0.00e+00 e 0 170 168 0 >> 32 4.093 8.502 1 U 1.001e+05 0.00e+00 e 0 170 178 0 >> 33 3.419 8.502 1 U 4.386e+05 0.00e+00 e 0 172 178 0 >> 34 3.064 8.502 1 U 2.241e+05 0.00e+00 e 0 173 178 0 >> 35 3.839 8.502 1 U 1.449e+05 0.00e+00 e 0 137 178 0 >> 36 3.563 8.502 1 U 1.549e+05 0.00e+00 e 0 180 178 0 >> 37 1.564 8.502 1 U 2.840e+05 0.00e+00 e 0 182 178 0 >> 38 1.405 8.502 1 U 3.235e+05 0.00e+00 e 0 183 178 0 >> 39 1.339 8.502 1 U 1.836e+05 0.00e+00 e 0 186 178 0 >> 40 1.223 8.502 1 U 4.460e+04 0.00e+00 e 0 187 178 0 >> 41 3.997 8.232 1 U 1.696e+05 0.00e+00 e 0 99 97 0 >> 42 2.397 8.232 1 U 3.199e+05 0.00e+00 e 0 105 97 0 >> 43 2.276 8.232 1 U 2.732e+05 0.00e+00 e 0 106 97 0 >> 45 2.063 8.232 1 U 6.651e+05 0.00e+00 e 0 103 97 0 >> 46 2.397 8.127 1 U 3.541e+04 0.00e+00 e 0 105 112 0 >> 47 2.063 8.127 1 U 5.464e+05 0.00e+00 e 0 103 112 0 >> 48 4.155 7.831 1 U 5.454e+05 0.00e+00 e 0 89 87 0 >> 49 1.485 7.831 1 U 1.193e+06 0.00e+00 e 0 90 87 0 >> 50 1.485 8.232 1 U 1.044e+06 0.00e+00 e 0 90 97 0 >> 51 4.155 8.232 1 U 7.505e+04 0.00e+00 e 0 89 97 0 >> 52 4.269 8.179 1 U 1.501e+05 0.00e+00 e 0 300 298 0 >> 53 1.433 8.179 1 U 8.584e+05 0.00e+00 e 0 301 298 0 >> 54 1.832 8.454 1 U 4.437e+05 0.00e+00 e 0 65 61 0 >> 55 1.627 8.454 1 U 8.654e+04 0.00e+00 e 0 71 61 0 >> 57 1.004 8.179 1 U 1.246e+05 0.00e+00 e 0 285 298 0 >> 58 0.927 8.179 1 U 9.410e+04 0.00e+00 e 0 286 298 0 >> 59 4.059 8.179 1 U 2.419e+05 0.00e+00 e 0 282 298 0 >> 60 1.004 7.583 1 U 6.549e+05 0.00e+00 e 0 285 280 0 >> 61 0.927 7.583 1 U 1.687e+05 0.00e+00 e 0 286 280 0 >> 62 2.111 7.583 1 U 4.774e+05 0.00e+00 e 0 284 280 0 >> 63 2.111 8.179 1 U 8.483e+04 0.00e+00 e 0 284 298 0 >> 64 4.059 7.583 1 U 3.911e+05 0.00e+00 e 0 282 280 0 >> 65 4.617 7.500 1 U 4.571e+05 0.00e+00 e 0 310 308 0 >> 66 2.455 7.500 1 U 3.075e+05 0.00e+00 e 0 316 308 0 >> 67 2.297 7.500 1 U 8.431e+04 0.00e+00 e 0 317 308 0 >> 68 2.070 7.500 1 U 4.286e+05 0.00e+00 e 0 312 308 0 >> 69 1.877 7.500 1 U 1.552e+05 0.00e+00 e 0 313 308 0 >> 70 1.433 7.500 1 U 2.138e+05 0.00e+00 e 0 301 308 0 >> 71 4.269 7.500 1 U 2.885e+05 0.00e+00 e 0 300 308 0 >> 72 4.379 8.463 1 U 1.660e+05 0.00e+00 e 0 325 323 0 >> 73 1.570 8.463 1 U 4.229e+04 0.00e+00 e 0 329 323 0 >> 74 1.712 8.463 1 U 2.318e+05 0.00e+00 e 0 332 323 0 >> 75 4.617 8.463 1 U 1.593e+06 0.00e+00 e 0 310 323 0 >> 76 8.126 8.232 1 U 1.015e+05 0.00e+00 e 0 112 97 0 >> 77 8.231 8.127 1 U 0.000e+00 0.00e+00 - 0 97 112 0 >> 78 8.047 8.127 1 U 3.769e+04 0.00e+00 e 0 135 112 0 >> 79 8.126 8.048 1 U 0.000e+00 0.00e+00 - 0 112 135 0 >> 80 7.618 8.048 1 U 3.084e+05 0.00e+00 e 0 150 135 0 >> 81 8.047 7.619 1 U 0.000e+00 0.00e+00 - 0 135 150 0 >> 82 7.499 8.179 1 U 5.074e+05 0.00e+00 e 0 308 298 0 >> 83 7.499 8.463 1 U 1.021e+05 0.00e+00 e 0 308 323 0 >> 84 8.178 7.500 1 U 0.000e+00 0.00e+00 - 0 298 308 0 >> 85 8.462 7.500 1 U 0.000e+00 0.00e+00 - 0 323 308 0 >> 86 8.178 7.583 1 U 0.000e+00 0.00e+00 - 0 298 280 0 >> 87 7.582 8.179 1 U 6.407e+05 0.00e+00 e 0 280 298 0 >> 88 7.652 7.583 1 U 0.000e+00 0.00e+00 - 0 262 280 0 >> 89 7.582 7.653 1 U 1.911e+05 0.00e+00 e 0 280 262 0 >> 90 3.997 7.653 1 U 3.520e+05 0.00e+00 e 0 264 262 0 >> 91 3.997 7.583 1 U 2.083e+05 0.00e+00 e 0 264 280 0 >> 92 2.486 7.653 1 U 3.500e+05 0.00e+00 e 0 268 262 0 >> 93 2.259 7.653 1 U 6.337e+04 0.00e+00 e 0 270 262 0 >> 94 2.204 7.653 1 U 3.705e+05 0.00e+00 e 0 271 262 0 >> 95 2.204 7.583 1 U 6.991e+04 0.00e+00 e 0 271 280 0 >> 97 4.445 7.921 1 U 4.505e+05 0.00e+00 e 0 254 252 0 >> 98 3.312 7.921 1 U 6.949e+05 0.00e+00 e 0 256 252 0 >> 99 2.971 7.921 1 U 3.336e+05 0.00e+00 e 0 257 252 0 >> 100 2.971 7.653 1 U 9.796e+04 0.00e+00 e 0 257 262 0 >> 101 3.312 7.653 1 U 2.802e+05 0.00e+00 e 0 256 262 0 >> 102 4.445 7.653 1 U 8.035e+04 0.00e+00 e 0 254 262 0 >> 103 7.652 7.921 1 U 4.641e+05 0.00e+00 e 0 262 252 0 >> 104 7.920 7.653 1 U 0.000e+00 0.00e+00 - 0 252 262 0 >> 105 3.563 7.921 1 U 1.492e+05 0.00e+00 e 0 180 252 0 >> 106 4.038 8.041 1 U 9.365e+05 0.00e+00 e 0 228 226 0 >> 107 1.935 8.041 1 U 3.765e+05 0.00e+00 e 0 232 226 0 >> 108 1.760 8.041 1 U 1.289e+05 0.00e+00 e 0 234 226 0 >> 109 1.873 8.009 1 U 1.060e+06 0.00e+00 e 0 670 666 0 >> 110 1.732 8.009 1 U 2.595e+05 0.00e+00 e 0 671 666 0 >> 111 4.038 7.921 1 U 9.503e+04 0.00e+00 e 0 228 252 0 >> 112 1.760 7.921 1 U 2.461e+04 0.00e+00 e 0 234 252 0 >> 113 7.920 8.041 1 U 3.027e+05 0.00e+00 e 0 252 226 0 >> 114 8.040 7.921 1 U 0.000e+00 0.00e+00 - 0 226 252 0 >> 115 4.118 7.980 1 U 3.077e+05 0.00e+00 e 0 793 791 0 >> 116 4.118 8.150 1 U 4.601e+05 0.00e+00 e 0 793 809 0 >> 117 4.513 8.150 1 U 2.255e+05 0.00e+00 e 0 811 809 0 >> 118 2.816 8.150 1 U 3.376e+04 0.00e+00 e 0 813 809 0 >> 119 2.755 8.150 1 U 1.099e+05 0.00e+00 e 0 814 809 0 >> 120 2.073 7.980 1 U 1.304e+05 0.00e+00 e 0 795 791 0 >> 121 0.858 7.980 1 U 2.330e+05 0.00e+00 e 0 797 791 0 >> 122 0.858 8.150 1 U 6.358e+04 0.00e+00 e 0 797 809 0 >> 123 4.668 7.980 1 U 4.560e+05 0.00e+00 e 0 782 791 0 >> 124 2.841 7.980 1 U 7.216e+03 0.00e+00 e 0 784 791 0 >> 125 2.717 7.980 1 U 3.689e+03 0.00e+00 e 0 785 791 0 >> 126 2.841 8.477 1 U 2.354e+05 0.00e+00 e 0 784 780 0 >> 127 2.717 8.477 1 U 3.870e+05 0.00e+00 e 0 785 780 0 >> 128 4.668 8.477 1 U 1.285e+05 0.00e+00 e 0 782 780 0 >> 129 4.321 8.197 1 U 2.310e+05 0.00e+00 e 0 767 765 0 >> 130 2.366 8.197 1 U 8.948e+04 0.00e+00 e 0 775 765 0 >> 131 1.911 8.197 1 U 5.480e+05 0.00e+00 e 0 771 765 0 >> 132 1.911 8.477 1 U 7.213e+04 0.00e+00 e 0 771 780 0 >> 133 2.366 8.477 1 U 2.998e+04 0.00e+00 e 0 775 780 0 >> 134 4.321 8.477 1 U 5.172e+05 0.00e+00 e 0 767 780 0 >> 135 7.979 8.150 1 U 4.446e+04 0.00e+00 e 0 791 809 0 >> 136 8.149 7.980 1 U 0.000e+00 0.00e+00 - 0 809 791 0 >> 137 8.476 7.980 1 U 0.000e+00 0.00e+00 - 0 780 791 0 >> 138 7.979 8.477 1 U 1.578e+05 0.00e+00 e 0 791 780 0 >> 139 8.196 8.477 1 U 1.499e+05 0.00e+00 e 0 765 780 0 >> 140 8.476 8.197 1 U 0.000e+00 0.00e+00 - 0 780 765 0 >> 141 3.904 8.197 1 U 6.874e+05 0.00e+00 e 0 762 765 0 >> 142 3.904 8.428 1 U 1.058e+06 0.00e+00 e 0 762 758 0 >> 143 8.427 8.197 1 U 0.000e+00 0.00e+00 - 0 758 765 0 >> 144 8.427 8.130 1 U 0.000e+00 0.00e+00 - 0 758 732 0 >> 145 8.196 8.428 1 U 5.334e+04 0.00e+00 e 0 765 758 0 >> 146 8.129 8.428 1 U 9.987e+04 0.00e+00 e 0 732 758 0 >> 147 4.376 8.130 1 U 3.751e+05 0.00e+00 e 0 734 732 0 >> 148 4.376 8.428 1 U 4.023e+05 0.00e+00 e 0 734 758 0 >> 149 1.887 8.130 1 U 2.018e+05 0.00e+00 e 0 736 732 0 >> 150 1.732 8.130 1 U 4.494e+05 0.00e+00 e 0 737 732 0 >> 151 1.612 8.130 1 U 1.695e+05 0.00e+00 e 0 742 732 0 >> 152 1.612 8.428 1 U 6.207e+04 0.00e+00 e 0 742 758 0 >> 153 1.732 8.428 1 U 8.276e+04 0.00e+00 e 0 737 758 0 >> 154 1.887 8.428 1 U 7.911e+04 0.00e+00 e 0 736 758 0 >> 155 3.980 8.130 1 U 1.555e+05 0.00e+00 e 0 727 732 0 >> 156 3.980 8.168 1 U 4.179e+05 0.00e+00 e 0 727 725 0 >> 157 3.918 8.168 1 U 7.239e+05 0.00e+00 e 0 728 725 0 >> 158 3.918 8.130 1 U 2.458e+05 0.00e+00 e 0 728 732 0 >> 159 8.167 7.919 1 U 0.000e+00 0.00e+00 - 0 725 707 0 >> 160 7.918 8.168 1 U 2.451e+05 0.00e+00 e 0 707 725 0 >> 161 4.272 7.919 1 U 3.420e+05 0.00e+00 e 0 709 707 0 >> 162 4.272 8.168 1 U 3.538e+05 0.00e+00 e 0 709 725 0 >> 163 2.428 7.919 1 U 1.323e+05 0.00e+00 e 0 717 707 0 >> 164 2.152 7.919 1 U 2.626e+05 0.00e+00 e 0 711 707 0 >> 165 2.066 7.919 1 U 7.689e+05 0.00e+00 e 0 712 707 0 >> 166 1.075 7.764 1 U 1.101e+06 0.00e+00 e 0 524 519 0 >> 167 0.939 7.764 1 U 1.662e+05 0.00e+00 e 0 525 519 0 >> 168 2.359 7.764 1 U 6.526e+05 0.00e+00 e 0 523 519 0 >> 169 3.749 7.764 1 U 6.702e+05 0.00e+00 e 0 521 519 0 >> 170 1.075 7.882 1 U 1.203e+05 0.00e+00 e 0 524 537 0 >> 171 0.939 7.882 1 U 1.985e+05 0.00e+00 e 0 525 537 0 >> 172 2.359 7.882 1 U 6.093e+05 0.00e+00 e 0 523 537 0 >> 173 3.749 7.882 1 U 1.149e+05 0.00e+00 e 0 521 537 0 >> 174 4.383 7.882 1 U 4.101e+05 0.00e+00 e 0 539 537 0 >> 175 3.271 7.882 1 U 2.593e+05 0.00e+00 e 0 541 537 0 >> 176 3.168 7.882 1 U 2.764e+05 0.00e+00 e 0 542 537 0 >> 177 7.881 7.764 1 U 0.000e+00 0.00e+00 - 0 537 519 0 >> 178 7.763 7.882 1 U 5.214e+05 0.00e+00 e 0 519 537 0 >> 179 3.271 8.398 1 U 3.753e+05 0.00e+00 e 0 541 547 0 >> 180 3.168 8.398 1 U 1.999e+05 0.00e+00 e 0 542 547 0 >> 181 4.383 8.398 1 U 5.392e+04 0.00e+00 e 0 539 547 0 >> 182 7.881 8.398 1 U 3.997e+05 0.00e+00 e 0 537 547 0 >> 183 8.397 7.882 1 U 0.000e+00 0.00e+00 - 0 547 537 0 >> 184 4.035 8.398 1 U 5.546e+05 0.00e+00 e 0 549 547 0 >> 185 2.510 8.398 1 U 1.763e+05 0.00e+00 e 0 557 547 0 >> 186 2.341 8.398 1 U 2.397e+05 0.00e+00 e 0 551 547 0 >> 187 2.224 8.398 1 U 1.260e+06 0.00e+00 e 0 552 547 0 >> 188 3.997 8.127 1 U 7.279e+04 0.00e+00 e 0 99 112 0 >> 189 8.501 8.003 1 U 0.000e+00 0.00e+00 - 0 178 168 0 >> 190 8.501 7.812 1 U 0.000e+00 0.00e+00 - 0 178 204 0 >> 191 8.002 8.502 1 U 2.991e+05 0.00e+00 e 0 168 178 0 >> 192 7.811 8.502 1 U 4.540e+05 0.00e+00 e 0 204 178 0 >> 193 8.040 7.812 1 U 0.000e+00 0.00e+00 - 0 226 204 0 >> 194 7.811 8.041 1 U 5.876e+05 0.00e+00 e 0 204 226 0 >> 195 1.729 7.812 1 U 6.838e+05 0.00e+00 e 0 208 204 0 >> 196 1.639 7.812 1 U 5.939e+05 0.00e+00 e 0 209 204 0 >> 197 4.038 7.812 1 U 5.395e+05 0.00e+00 e 0 206 204 0 >> 198 0.830 7.812 1 U 4.884e+04 0.00e+00 e 0 214 204 0 >> 199 1.405 7.812 1 U 1.824e+05 0.00e+00 e 0 183 204 0 >> 200 1.564 7.812 1 U 1.445e+05 0.00e+00 e 0 182 204 0 >> 201 3.563 7.812 1 U 6.258e+04 0.00e+00 e 0 180 204 0 >> 202 3.612 7.812 1 U 1.651e+05 0.00e+00 e 0 152 204 0 >> 203 7.618 8.003 1 U 1.032e+06 0.00e+00 e 0 150 168 0 >> 204 8.002 7.619 1 U 0.000e+00 0.00e+00 - 0 168 150 0 >> 205 8.231 7.831 1 U 0.000e+00 0.00e+00 - 0 97 87 0 >> 207 7.830 8.232 1 U 4.177e+05 0.00e+00 e 0 87 97 0 >> 208 4.042 7.831 1 U 1.385e+05 0.00e+00 e 0 63 87 0 >> 209 4.042 8.454 1 U 3.864e+05 0.00e+00 e 0 63 61 0 >> 210 1.832 7.831 1 U 2.269e+05 0.00e+00 e 0 65 87 0 >> 211 8.453 7.831 1 U 0.000e+00 0.00e+00 - 0 61 87 0 >> 212 7.830 8.454 1 U 4.489e+05 0.00e+00 e 0 87 61 0 >> 213 4.379 8.340 1 U 8.455e+05 0.00e+00 e 0 325 349 0 >> 214 4.248 8.340 1 U 1.072e+06 0.00e+00 e 0 351 349 0 >> 215 8.339 8.463 1 U 1.473e+04 0.00e+00 e 0 349 323 0 >> 216 8.462 8.340 1 U 0.000e+00 0.00e+00 - 0 323 349 0 >> 217 3.918 8.340 1 U 8.793e+05 0.00e+00 e 0 352 349 0 >> 218 4.248 8.427 1 U 7.555e+05 0.00e+00 e 0 351 356 0 >> 219 3.918 8.427 1 U 4.659e+05 0.00e+00 e 0 352 356 0 >> 220 3.694 8.427 1 U 7.015e+05 0.00e+00 e 0 358 356 0 >> 221 1.034 8.427 1 U 9.170e+05 0.00e+00 e 0 361 356 0 >> 222 0.941 8.427 1 U 3.820e+05 0.00e+00 e 0 362 356 0 >> 223 2.021 8.427 1 U 1.011e+06 0.00e+00 e 0 360 356 0 >> 224 3.694 8.637 1 U 1.528e+05 0.00e+00 e 0 358 374 0 >> 225 1.034 8.637 1 U 1.759e+05 0.00e+00 e 0 361 374 0 >> 226 0.941 8.637 1 U 1.533e+05 0.00e+00 e 0 362 374 0 >> 227 2.383 8.637 1 U 3.689e+05 0.00e+00 e 0 384 374 0 >> 228 2.045 8.637 1 U 1.188e+06 0.00e+00 e 0 378 374 0 >> 229 1.973 8.637 1 U 6.264e+05 0.00e+00 e 0 379 374 0 >> 230 4.049 8.637 1 U 5.036e+05 0.00e+00 e 0 376 374 0 >> 231 8.636 8.427 1 U 0.000e+00 0.00e+00 - 0 374 356 0 >> 232 8.426 8.637 1 U 3.259e+05 0.00e+00 e 0 356 374 0 >> 233 8.320 8.637 1 U 6.296e+05 0.00e+00 e 0 389 374 0 >> 234 8.636 8.321 1 U 0.000e+00 0.00e+00 - 0 374 389 0 >> 235 8.401 8.321 1 U 0.000e+00 0.00e+00 - 0 407 389 0 >> 236 8.320 8.402 1 U 4.904e+05 0.00e+00 e 0 389 407 0 >> 237 4.049 8.321 1 U 1.137e+05 0.00e+00 e 0 376 389 0 >> 238 3.959 8.321 1 U 3.786e+05 0.00e+00 e 0 391 389 0 >> 239 2.541 8.321 1 U 2.053e+05 0.00e+00 e 0 397 389 0 >> 240 2.449 8.321 1 U 1.133e+05 0.00e+00 e 0 398 389 0 >> 241 2.093 8.321 1 U 1.552e+06 0.00e+00 e 0 395 389 0 >> 242 1.973 8.321 1 U 3.581e+05 0.00e+00 e 0 379 389 0 >> 243 3.959 8.402 1 U 1.306e+05 0.00e+00 e 0 391 407 0 >> 244 2.093 8.402 1 U 6.132e+05 0.00e+00 e 0 395 407 0 >> 245 3.732 8.402 1 U 1.416e+05 0.00e+00 e 0 409 407 0 >> 246 2.434 8.402 1 U 4.792e+05 0.00e+00 e 0 417 407 0 >> 247 2.352 8.402 1 U 1.266e+05 0.00e+00 e 0 413 407 0 >> 248 4.228 7.766 1 U 6.850e+05 0.00e+00 e 0 478 476 0 >> 249 3.443 7.766 1 U 1.012e+06 0.00e+00 e 0 480 476 0 >> 250 3.009 7.766 1 U 8.954e+05 0.00e+00 e 0 481 476 0 >> 251 4.228 8.584 1 U 6.090e+04 0.00e+00 e 0 478 486 0 >> 252 3.443 8.584 1 U 4.903e+05 0.00e+00 e 0 480 486 0 >> 254 3.670 8.584 1 U 4.764e+05 0.00e+00 e 0 488 486 0 >> 255 2.644 8.584 1 U 5.829e+05 0.00e+00 e 0 496 486 0 >> 256 2.235 8.584 1 U 6.213e+05 0.00e+00 e 0 490 486 0 >> 257 2.135 8.584 1 U 7.263e+05 0.00e+00 e 0 491 486 0 >> 258 8.583 7.766 1 U 0.000e+00 0.00e+00 - 0 486 476 0 >> 259 7.765 8.584 1 U 6.228e+05 0.00e+00 e 0 476 486 0 >> 260 8.216 8.584 1 U 4.904e+05 0.00e+00 e 0 501 486 0 >> 261 8.583 8.217 1 U 0.000e+00 0.00e+00 - 0 486 501 0 >> 262 7.763 8.217 1 U 6.006e+05 0.00e+00 e 0 519 501 0 >> 263 8.216 7.764 1 U 0.000e+00 0.00e+00 - 0 501 519 0 >> 264 2.286 8.217 1 U 5.162e+05 0.00e+00 e 0 511 501 0 >> 265 2.207 8.217 1 U 5.070e+05 0.00e+00 e 0 507 501 0 >> 266 2.286 7.764 1 U 1.235e+05 0.00e+00 e 0 511 519 0 >> 267 2.207 7.764 1 U 2.476e+05 0.00e+00 e 0 507 519 0 >> 268 4.107 7.764 1 U 8.603e+04 0.00e+00 e 0 503 519 0 >> 269 4.107 8.217 1 U 3.889e+05 0.00e+00 e 0 503 501 0 >> 270 1.849 7.766 1 U 7.340e+05 0.00e+00 e 0 457 476 0 >> 271 1.849 7.917 1 U 1.311e+06 0.00e+00 e 0 457 451 0 >> 272 1.646 7.917 1 U 2.220e+04 0.00e+00 e 0 465 451 0 >> 273 1.550 7.917 1 U 1.908e+05 0.00e+00 e 0 459 451 0 >> 274 1.437 7.917 1 U 1.260e+05 0.00e+00 e 0 460 451 0 >> 275 4.045 7.917 1 U 2.929e+05 0.00e+00 e 0 453 451 0 >> 276 4.045 7.766 1 U 2.540e+05 0.00e+00 e 0 453 476 0 >> 277 7.916 7.766 1 U 0.000e+00 0.00e+00 - 0 451 476 0 >> 278 7.765 7.917 1 U 3.013e+05 0.00e+00 e 0 476 451 0 >> 279 4.007 8.342 1 U 2.688e+05 0.00e+00 e 0 427 425 0 >> 280 3.150 8.342 1 U 8.448e+04 0.00e+00 e 0 439 425 0 >> 281 1.908 8.342 1 U 1.282e+06 0.00e+00 e 0 429 425 0 >> 282 1.787 8.342 1 U 1.941e+05 0.00e+00 e 0 430 425 0 >> 283 1.608 8.342 1 U 1.165e+05 0.00e+00 e 0 435 425 0 >> 284 7.916 8.342 1 U 4.692e+05 0.00e+00 e 0 451 425 0 >> 285 8.341 7.917 1 U 0.000e+00 0.00e+00 - 0 425 451 0 >> 286 3.732 8.342 1 U 5.950e+04 0.00e+00 e 0 409 425 0 >> 287 4.267 8.519 1 U 2.111e+05 0.00e+00 e 0 4 2 0 >> 288 3.165 8.519 1 U 0.000e+00 0.00e+00 - 0 16 2 0 >> 289 4.348 8.519 1 U 5.183e+05 0.00e+00 e 0 822 2 0 >> 290 1.818 8.519 1 U 1.395e+05 0.00e+00 e 0 6 2 0 >> 291 1.746 8.519 1 U 3.469e+05 0.00e+00 e 0 7 2 0 >> 292 1.615 8.519 1 U 6.946e+04 0.00e+00 e 0 12 2 0 >> 293 1.818 8.636 1 U 8.298e+04 0.00e+00 e 0 6 28 0 >> 294 4.267 8.636 1 U 4.171e+05 0.00e+00 e 0 4 28 0 >> 295 3.959 8.636 1 U 1.022e+06 0.00e+00 e 0 32 28 0 >> 296 4.765 8.238 1 U 3.098e+04 0.00e+00 e 0 37 35 0 >> 297 3.928 8.238 1 U 7.122e+05 0.00e+00 e 0 40 35 0 >> 298 4.138 8.238 1 U 1.181e+05 0.00e+00 e 0 39 35 0 >> 299 8.635 8.238 1 U 0.000e+00 0.00e+00 - 0 28 35 0 >> 300 8.237 8.636 1 U 1.240e+05 0.00e+00 e 0 35 28 0 >> 301 3.670 8.217 1 U 7.230e+04 0.00e+00 e 0 488 501 0 >> 302 4.221 7.630 1 U 0.000e+00 0.00e+00 - 0 579 603 0 >> 303 0.680 7.630 1 U 9.322e+04 0.00e+00 e 0 612 603 0 >> 304 0.304 7.630 1 U 9.213e+04 0.00e+00 e 0 613 603 0 >> 305 1.933 7.631 1 U 2.474e+05 0.00e+00 e 0 0 0 0 >> 306 4.052 7.919 1 U 1.316e+05 0.00e+00 e 0 694 707 0 >> 307 4.052 7.968 1 U 7.767e+05 0.00e+00 e 0 694 692 0 >> 308 2.624 7.968 1 U 2.567e+05 0.00e+00 e 0 696 692 0 >> 309 2.438 7.968 1 U 1.309e+05 0.00e+00 e 0 697 692 0 >> 310 2.176 7.968 1 U 5.318e+05 0.00e+00 e 0 702 692 0 >> 311 3.966 8.009 1 U 3.348e+05 0.00e+00 e 0 668 666 0 >> 312 3.966 7.968 1 U 1.088e+05 0.00e+00 e 0 668 692 0 >> 313 1.567 8.009 1 U 1.234e+05 0.00e+00 e 0 676 666 0 >> 314 4.221 8.042 1 U 3.401e+05 0.00e+00 e 0 579 577 0 >> 315 2.008 8.042 1 U 5.124e+05 0.00e+00 e 0 581 577 0 >> 316 1.918 8.042 1 U 2.885e+05 0.00e+00 e 0 582 577 0 >> 318 1.825 8.042 1 U 1.600e+05 0.00e+00 e 0 585 577 0 >> 319 7.629 8.042 1 U 4.937e+04 0.00e+00 e 0 603 577 0 >> 320 8.041 7.630 1 U 0.000e+00 0.00e+00 - 0 577 603 0 >> 321 4.045 8.234 1 U 3.350e+05 0.00e+00 e 0 627 625 0 >> 322 1.801 8.234 1 U 3.943e+04 0.00e+00 e 0 633 625 0 >> 323 1.729 8.234 1 U 1.680e+05 0.00e+00 e 0 634 625 0 >> 324 7.629 8.234 1 U 4.003e+05 0.00e+00 e 0 603 625 0 >> 325 8.233 7.630 1 U 0.000e+00 0.00e+00 - 0 625 603 0 >> 326 4.031 8.360 1 U 3.629e+05 0.00e+00 e 0 653 651 0 >> 327 2.551 8.360 1 U 2.052e+05 0.00e+00 e 0 659 651 0 >> 328 2.493 8.360 1 U 1.571e+05 0.00e+00 e 0 660 651 0 >> 329 2.273 8.360 1 U 3.461e+05 0.00e+00 e 0 655 651 0 >> 330 2.176 8.360 1 U 3.775e+05 0.00e+00 e 0 656 651 0 >> 331 4.228 8.199 1 U 5.295e+05 0.00e+00 e 0 564 562 0 >> 332 2.517 8.199 1 U 1.782e+05 0.00e+00 e 0 568 562 0 >> 333 2.073 8.199 1 U 7.133e+05 0.00e+00 e 0 572 562 0 >> 334 3.157 6.986 1 U 2.080e+06 0.00e+00 e 0 117 119 0 >> 335 3.254 6.986 1 U 1.394e+06 0.00e+00 e 0 116 119 0 >> 336 4.630 6.987 1 U 6.236e+05 0.00e+00 e 0 114 119 0 >> 337 4.630 6.613 1 U 4.483e+04 0.00e+00 e 0 114 120 0 >> 338 3.254 6.613 1 U 3.994e+05 0.00e+00 e 0 116 120 0 >> 339 3.157 6.613 1 U 4.625e+05 0.00e+00 e 0 117 120 0 >> 340 1.450 6.987 1 U 5.029e+05 0.00e+00 e 0 607 119 0 >> 341 1.318 6.987 1 U 5.592e+04 0.00e+00 e 0 608 119 0 >> 342 1.450 6.613 1 U 4.084e+04 0.00e+00 e 0 607 120 0 >> 343 1.318 6.613 1 U 6.448e+04 0.00e+00 e 0 608 120 0 >> 344 0.680 6.613 1 U 2.442e+04 0.00e+00 e 0 612 120 0 >> 345 0.680 6.986 1 U 2.042e+05 0.00e+00 e 0 612 119 0 >> 346 0.304 6.986 1 U 3.428e+05 0.00e+00 e 0 613 119 0 >> 347 0.304 6.613 1 U 1.927e+05 0.00e+00 e 0 613 120 0 >> 348 4.266 6.988 1 U 4.359e+04 0.00e+00 e 0 605 119 0 >> 349 1.853 6.986 1 U 2.600e+05 0.00e+00 e 0 611 119 0 >> 350 1.853 6.613 1 U 3.873e+04 0.00e+00 e 0 611 120 0 >> 351 1.223 7.190 1 U 9.826e+04 0.00e+00 e 0 187 194 0 >> 352 1.339 7.190 1 U 5.854e+04 0.00e+00 e 0 186 194 0 >> 353 1.405 7.190 1 U 3.231e+04 0.00e+00 e 0 183 194 0 >> 354 3.563 7.190 1 U 0.000e+00 0.00e+00 - 0 180 194 0 >> 355 2.985 7.190 1 U 2.120e+05 0.00e+00 e 0 190 194 0 >> 356 2.785 7.190 1 U 4.287e+05 0.00e+00 e 0 191 194 0 >> 357 1.564 7.190 1 U 7.748e+04 0.00e+00 e 0 182 194 0 >> 358 3.563 2.972 1 U 6.819e+04 0.00e+00 e 0 180 257 0 >> 359 3.563 2.786 1 U 0.000e+00 0.00e+00 - 0 180 191 0 >> 360 2.985 2.786 1 U 1.624e+06 0.00e+00 e 0 190 191 0 >> 361 3.563 1.565 1 U 8.201e+04 0.00e+00 e 0 180 182 0 >> 362 3.563 1.406 1 U 1.469e+05 0.00e+00 e 0 180 183 0 >> 363 3.563 1.340 1 U 1.128e+05 0.00e+00 e 0 180 186 0 >> 364 3.563 1.224 1 U 1.998e+05 0.00e+00 e 0 180 187 0 >> 365 2.985 1.224 1 U 1.888e+05 0.00e+00 e 0 190 187 0 >> 366 2.785 1.224 1 U 1.839e+05 0.00e+00 e 0 191 187 0 >> 367 2.985 1.340 1 U 1.868e+05 0.00e+00 e 0 190 186 0 >> 368 2.985 1.340 1 U 2.136e+05 0.00e+00 e 0 190 186 0 >> 369 2.985 1.406 1 U 3.974e+04 0.00e+00 e 0 190 183 0 >> 370 2.785 1.406 1 U 3.584e+04 0.00e+00 e 0 191 183 0 >> 371 2.985 1.565 1 U 2.817e+04 0.00e+00 e 0 190 182 0 >> 372 2.785 1.565 1 U 3.188e+04 0.00e+00 e 0 191 182 0 >> 373 1.564 1.340 1 U 3.936e+05 0.00e+00 e 0 182 186 0 >> 374 1.339 1.224 1 U 1.027e+06 0.00e+00 e 0 186 187 0 >> 375 1.405 1.224 1 U 3.609e+05 0.00e+00 e 0 183 187 0 >> 376 1.564 1.224 1 U 1.407e+05 0.00e+00 e 0 182 187 0 >> 377 3.254 3.158 1 U 1.359e+06 0.00e+00 e 0 116 117 0 >> 378 4.630 3.158 1 U 3.656e+05 0.00e+00 e 0 114 117 0 >> 379 4.630 3.255 1 U 3.452e+05 0.00e+00 e 0 114 116 0 >> 381 4.266 1.319 1 U 1.309e+05 0.00e+00 e 0 605 608 0 >> 382 4.266 1.451 1 U 3.849e+05 0.00e+00 e 0 605 607 0 >> 383 4.266 1.854 1 U 1.374e+05 0.00e+00 e 0 605 611 0 >> 384 1.853 1.451 1 U 8.594e+05 0.00e+00 e 0 611 607 0 >> 385 1.853 1.319 1 U 3.102e+05 0.00e+00 e 0 611 608 0 >> 386 1.450 1.319 1 U 5.375e+05 0.00e+00 e 0 607 608 0 >> 387 1.318 0.681 1 U 9.300e+05 0.00e+00 e 0 608 612 0 >> 388 1.450 0.681 1 U 5.317e+05 0.00e+00 e 0 607 612 0 >> 389 1.853 0.681 1 U 4.365e+05 0.00e+00 e 0 611 612 0 >> 390 4.266 0.681 1 U 8.540e+05 0.00e+00 e 0 605 612 0 >> 391 4.266 0.305 1 U 1.962e+05 0.00e+00 e 0 605 613 0 >> 392 1.853 0.305 1 U 6.361e+05 0.00e+00 e 0 611 613 0 >> 393 1.450 0.681 1 U 4.130e+05 0.00e+00 e 0 607 612 0 >> 394 1.318 0.305 1 U 1.078e+06 0.00e+00 e 0 608 613 0 >> 395 0.680 0.305 1 U 1.239e+06 0.00e+00 e 0 612 613 0 >> 396 4.630 0.681 1 U 2.732e+04 0.00e+00 e 0 114 612 0 >> 397 4.630 0.305 1 U 3.514e+03 0.00e+00 e 0 114 613 0 >> 398 3.254 0.305 1 U 1.008e+05 0.00e+00 e 0 116 613 0 >> 399 3.157 0.305 1 U 2.558e+05 0.00e+00 e 0 117 613 0 >> 400 3.254 0.681 1 U 1.948e+05 0.00e+00 e 0 116 612 0 >> 401 3.157 0.681 1 U 4.713e+05 0.00e+00 e 0 117 612 0 >> 402 0.680 8.009 1 U 1.553e+04 0.00e+00 e 0 612 666 0 >> 403 0.680 8.048 1 U 2.011e+04 0.00e+00 e 0 612 135 0 >> 404 0.304 8.009 1 U 4.376e+04 0.00e+00 e 0 613 666 0 >> 405 0.304 8.048 1 U 2.614e+03 0.00e+00 e 0 613 135 0 >> 406 0.304 8.127 1 U 1.725e+04 0.00e+00 e 0 613 112 0 >> 407 0.680 8.127 1 U 5.971e+04 0.00e+00 e 0 612 112 0 >> 408 0.680 8.454 1 U 8.104e+04 0.00e+00 e 0 612 61 0 >> 409 0.680 8.197 1 U 2.354e+04 0.00e+00 e 0 612 765 0 >> 411 0.913 8.041 1 U 7.521e+04 0.00e+00 e 0 156 226 0 >> 412 1.038 8.041 1 U 3.722e+04 0.00e+00 e 0 155 226 0 >> 413 2.576 6.987 1 U 3.116e+05 0.00e+00 e 0 145 119 0 >> 414 3.839 6.985 1 U 1.401e+05 0.00e+00 e 0 137 119 0 >> 415 3.839 2.577 1 U 3.763e+05 0.00e+00 e 0 137 145 0 >> 416 3.839 2.136 1 U 1.349e+05 0.00e+00 e 0 137 141 0 >> 417 2.576 2.136 1 U 1.119e+05 0.00e+00 e 0 145 141 0 >> 418 3.839 6.613 1 U 2.345e+04 0.00e+00 e 0 137 120 0 >> 419 2.135 6.613 1 U 1.726e+04 0.00e+00 e 0 141 120 0 >> 420 2.576 6.613 1 U 1.567e+04 0.00e+00 e 0 145 120 0 >> 421 2.135 6.989 1 U 1.380e+04 0.00e+00 e 0 141 119 0 >> 422 6.977 6.613 1 U 2.788e+06 0.00e+00 e 0 119 120 0 >> 423 8.397 6.613 1 U 0.000e+00 0.00e+00 - 0 547 120 0 >> 424 8.397 6.984 1 U 0.000e+00 0.00e+00 - 0 547 119 0 >> 425 6.970 8.398 1 U 2.771e+04 0.00e+00 e 0 119 547 0 >> 426 6.612 8.398 1 U 1.658e+05 0.00e+00 e 0 120 547 0 >> 427 6.977 8.127 1 U 1.298e+05 0.00e+00 e 0 119 112 0 >> 428 6.977 8.048 1 U 1.633e+05 0.00e+00 e 0 119 135 0 >> 429 8.126 6.987 1 U 0.000e+00 0.00e+00 - 0 112 119 0 >> 430 8.047 6.986 1 U 0.000e+00 0.00e+00 - 0 135 119 0 >> 431 7.618 6.985 1 U 0.000e+00 0.00e+00 - 0 150 119 0 >> 432 6.977 7.619 1 U 3.903e+04 0.00e+00 e 0 119 150 0 >> 433 4.093 3.065 1 U 5.530e+05 0.00e+00 e 0 170 173 0 >> 434 3.419 3.065 1 U 1.705e+06 0.00e+00 e 0 172 173 0 >> 435 4.093 3.420 1 U 1.186e+05 0.00e+00 e 0 170 172 0 >> 436 4.630 3.420 1 U 1.363e+05 0.00e+00 e 0 114 172 0 >> 437 4.630 3.065 1 U 1.064e+05 0.00e+00 e 0 114 173 0 >> 438 4.445 2.972 1 U 3.479e+05 0.00e+00 e 0 254 257 0 >> 439 4.445 3.313 1 U 1.396e+05 0.00e+00 e 0 254 256 0 >> 440 3.563 3.313 1 U 1.314e+05 0.00e+00 e 0 180 256 0 >> 441 3.312 2.972 1 U 9.511e+05 0.00e+00 e 0 256 257 0 >> 442 3.443 3.010 1 U 2.277e+06 0.00e+00 e 0 480 481 0 >> 443 4.228 3.010 1 U 5.965e+05 0.00e+00 e 0 478 481 0 >> 444 4.228 3.444 1 U 9.454e+04 0.00e+00 e 0 478 480 0 >> 445 4.383 3.272 1 U 2.928e+05 0.00e+00 e 0 539 541 0 >> 446 4.383 3.169 1 U 2.518e+05 0.00e+00 e 0 539 542 0 >> 447 3.749 1.076 1 U 1.131e+06 0.00e+00 e 0 521 524 0 >> 448 3.749 0.940 1 U 5.723e+05 0.00e+00 e 0 521 525 0 >> 449 2.359 0.940 1 U 1.532e+06 0.00e+00 e 0 523 525 0 >> 450 2.359 1.076 1 U 1.323e+06 0.00e+00 e 0 523 524 0 >> 451 1.075 0.940 1 U 1.044e+06 0.00e+00 e 0 524 525 0 >> 452 3.694 1.035 1 U 6.128e+05 0.00e+00 e 0 358 361 0 >> 453 2.021 1.035 1 U 7.364e+05 0.00e+00 e 0 360 361 0 >> 454 3.694 0.942 1 U 2.335e+05 0.00e+00 e 0 358 362 0 >> 455 3.694 2.022 1 U 3.136e+05 0.00e+00 e 0 358 360 0 >> 456 1.450 8.009 1 U 1.537e+05 0.00e+00 e 0 607 666 0 >> 457 1.318 8.009 1 U 8.523e+04 0.00e+00 e 0 608 666 0 >> 458 2.066 1.039 1 U 4.457e+05 0.00e+00 e 0 154 155 0 >> 459 2.066 0.914 1 U 3.710e+05 0.00e+00 e 0 154 156 0 >> 460 3.612 0.914 1 U 7.261e+05 0.00e+00 e 0 152 156 0 >> 461 3.612 1.039 1 U 9.725e+05 0.00e+00 e 0 152 155 0 >> 462 1.038 0.914 1 U 7.410e+05 0.00e+00 e 0 155 156 0 >> 463 4.059 1.005 1 U 1.274e+06 0.00e+00 e 0 282 285 0 >> 464 4.059 0.928 1 U 7.954e+05 0.00e+00 e 0 282 286 0 >> 465 2.111 0.928 1 U 1.321e+05 0.00e+00 e 0 284 286 0 >> 466 2.111 1.005 1 U 2.763e+05 0.00e+00 e 0 284 285 0 >> 467 1.639 0.860 1 U 1.268e+05 0.00e+00 e 0 209 213 0 >> 468 1.639 0.831 1 U 3.688e+05 0.00e+00 e 0 209 214 0 >> 469 1.729 0.831 1 U 1.428e+05 0.00e+00 e 0 208 214 0 >> 470 1.729 0.860 1 U 2.345e+05 0.00e+00 e 0 208 213 0 >> 471 4.038 0.860 1 U 2.626e+05 0.00e+00 e 0 206 213 0 >> 472 4.038 0.860 1 U 3.064e+05 0.00e+00 e 0 206 213 0 >> 473 4.038 1.730 1 U 6.792e+04 0.00e+00 e 0 206 208 0 >> 474 4.038 1.640 1 U 1.283e+05 0.00e+00 e 0 206 209 0 >> 475 1.729 1.640 1 U 2.652e+06 0.00e+00 e 0 208 209 0 >> 477 2.434 7.439 1 U 3.187e+05 0.00e+00 e 0 417 420 0 >> 478 2.352 7.439 1 U 1.988e+05 0.00e+00 e 0 413 420 0 >> 479 2.434 6.762 1 U 1.128e+05 0.00e+00 e 0 417 421 0 >> 480 2.352 6.762 1 U 1.687e+05 0.00e+00 e 0 413 421 0 >> 481 4.107 8.398 1 U 2.285e+05 0.00e+00 e 0 503 547 0 >> 482 4.007 8.584 1 U 1.590e+05 0.00e+00 e 0 427 486 0 >> 483 4.379 6.762 1 U 9.834e+04 0.00e+00 e 0 325 421 0 >> 484 4.379 6.615 1 U 1.445e+04 0.00e+00 e 0 0 0 0 >> 485 4.379 7.439 1 U 1.273e+05 0.00e+00 e 0 325 420 0 >> 486 3.670 7.882 1 U 2.431e+05 0.00e+00 e 0 488 537 0 >> 487 3.928 7.831 1 U 8.447e+04 0.00e+00 e 0 40 87 0 >> 488 2.541 7.561 1 U 9.384e+04 0.00e+00 e 0 397 402 0 >> 489 2.449 7.560 1 U 1.021e+05 0.00e+00 e 0 398 402 0 >> 490 2.093 7.559 1 U 2.005e+04 0.00e+00 e 0 395 402 0 >> 491 2.541 6.883 1 U 3.158e+04 0.00e+00 e 0 397 403 0 >> 492 2.449 6.882 1 U 4.201e+04 0.00e+00 e 0 398 403 0 >> 493 2.093 6.882 1 U 3.147e+04 0.00e+00 e 0 395 403 0 >> 494 4.267 1.819 1 U 3.533e+04 0.00e+00 e 0 4 6 0 >> 495 4.267 1.747 1 U 1.181e+05 0.00e+00 e 0 4 7 0 >> 496 4.267 1.616 1 U 5.032e+04 0.00e+00 e 0 4 12 0 >> 497 1.818 1.747 1 U 3.072e+06 0.00e+00 e 0 6 7 0 >> 498 1.818 1.616 1 U 4.598e+04 0.00e+00 e 0 6 12 0 >> 499 1.746 1.616 1 U 4.178e+05 0.00e+00 e 0 7 12 0 >> 501 3.165 1.819 1 U 9.489e+04 0.00e+00 e 0 16 6 0 >> 502 3.165 1.747 1 U 4.105e+05 0.00e+00 e 0 16 7 0 >> 503 3.165 1.616 1 U 9.897e+04 0.00e+00 e 0 16 12 0 >> 504 4.765 4.139 1 U 2.716e+04 0.00e+00 e 0 37 39 0 >> 505 4.765 3.929 1 U 1.509e+05 0.00e+00 e 0 37 40 0 >> 506 4.138 3.929 1 U 3.288e+06 0.00e+00 e 0 39 40 0 >> 507 4.042 1.833 1 U 2.458e+05 0.00e+00 e 0 63 65 0 >> 508 4.042 1.628 1 U 3.668e+04 0.00e+00 e 0 63 71 0 >> 509 1.832 1.628 1 U 1.138e+06 0.00e+00 e 0 65 71 0 >> 510 4.155 1.486 1 U 1.992e+06 0.00e+00 e 0 89 90 0 >> 511 3.997 2.398 1 U 1.642e+05 0.00e+00 e 0 99 105 0 >> 512 3.997 2.277 1 U 5.575e+04 0.00e+00 e 0 99 106 0 >> 514 3.997 2.064 1 U 1.039e+05 0.00e+00 e 0 99 103 0 >> 515 2.397 2.277 1 U 2.374e+04 0.00e+00 e 0 105 106 0 >> 517 2.397 2.064 1 U 1.351e+05 0.00e+00 e 0 105 103 0 >> 519 2.276 2.064 1 U 5.505e+05 0.00e+00 e 0 106 103 0 >> 521 4.038 1.936 1 U 5.569e+05 0.00e+00 e 0 228 232 0 >> 522 4.038 1.761 1 U 2.216e+05 0.00e+00 e 0 228 234 0 >> 523 1.935 1.761 1 U 8.255e+05 0.00e+00 e 0 232 234 0 >> 524 3.997 2.487 1 U 2.408e+04 0.00e+00 e 0 264 268 0 >> 525 3.997 2.260 1 U 7.466e+04 0.00e+00 e 0 264 270 0 >> 526 3.997 2.205 1 U 1.181e+05 0.00e+00 e 0 264 271 0 >> 527 2.486 2.260 1 U 4.359e+05 0.00e+00 e 0 268 270 0 >> 528 2.486 2.205 1 U 7.095e+04 0.00e+00 e 0 268 271 0 >> 529 2.259 2.205 1 U 3.570e+05 0.00e+00 e 0 270 271 0 >> 530 1.004 0.928 1 U 5.027e+04 0.00e+00 e 0 285 286 0 >> 531 4.269 1.434 1 U 2.207e+06 0.00e+00 e 0 300 301 0 >> 532 4.617 2.456 1 U 1.490e+05 0.00e+00 e 0 310 316 0 >> 533 4.617 2.298 1 U 1.108e+05 0.00e+00 e 0 310 317 0 >> 534 4.617 2.071 1 U 4.062e+05 0.00e+00 e 0 310 312 0 >> 535 4.617 1.878 1 U 6.275e+05 0.00e+00 e 0 310 313 0 >> 536 2.070 1.878 1 U 5.881e+05 0.00e+00 e 0 312 313 0 >> 537 2.070 2.456 1 U 0.000e+00 0.00e+00 - 0 312 316 0 >> 538 2.070 2.298 1 U 0.000e+00 0.00e+00 - 0 312 317 0 >> 539 1.877 2.456 1 U 0.000e+00 0.00e+00 - 0 313 316 0 >> 540 1.877 2.298 1 U 0.000e+00 0.00e+00 - 0 313 317 0 >> 541 2.455 2.298 1 U 1.194e+06 0.00e+00 e 0 316 317 0 >> 542 4.379 1.713 1 U 1.400e+05 0.00e+00 e 0 325 332 0 >> 543 4.379 1.571 1 U 7.777e+04 0.00e+00 e 0 325 329 0 >> 544 1.712 1.571 1 U 6.621e+05 0.00e+00 e 0 332 329 0 >> 546 4.248 3.919 1 U 2.192e+06 0.00e+00 e 0 351 352 0 >> 547 2.021 0.942 1 U 5.081e+05 0.00e+00 e 0 360 362 0 >> 548 4.049 2.384 1 U 6.199e+04 0.00e+00 e 0 376 384 0 >> 549 4.049 2.046 1 U 1.621e+05 0.00e+00 e 0 376 378 0 >> 550 4.049 1.974 1 U 3.123e+05 0.00e+00 e 0 376 379 0 >> 551 2.383 2.046 1 U 1.456e+05 0.00e+00 e 0 384 378 0 >> 552 2.383 1.974 1 U 4.123e+05 0.00e+00 e 0 384 379 0 >> 553 2.045 1.974 1 U 2.446e+06 0.00e+00 e 0 378 379 0 >> 554 3.959 2.542 1 U 3.045e+05 0.00e+00 e 0 391 397 0 >> 555 3.959 2.449 1 U 9.895e+04 0.00e+00 e 0 391 398 0 >> 556 3.959 2.093 1 U 5.180e+05 0.00e+00 e 0 391 395 0 >> 557 2.541 2.449 1 U 2.258e+06 0.00e+00 e 0 397 398 0 >> 558 2.541 2.093 1 U 3.261e+05 0.00e+00 e 0 397 395 0 >> 559 2.449 2.093 1 U 5.605e+05 0.00e+00 e 0 398 395 0 >> 560 3.732 2.435 1 U 1.991e+05 0.00e+00 e 0 409 417 0 >> 561 3.732 2.353 1 U 1.364e+05 0.00e+00 e 0 409 413 0 >> 562 2.434 2.353 1 U 7.492e+05 0.00e+00 e 0 417 413 0 >> 563 4.007 3.151 1 U 6.993e+04 0.00e+00 e 0 427 439 0 >> 564 4.007 1.909 1 U 2.522e+05 0.00e+00 e 0 427 429 0 >> 565 4.007 1.788 1 U 9.395e+04 0.00e+00 e 0 427 430 0 >> 566 4.007 1.609 1 U 5.093e+04 0.00e+00 e 0 427 435 0 >> 567 3.150 1.909 1 U 2.586e+05 0.00e+00 e 0 439 429 0 >> 568 3.150 1.788 1 U 5.369e+05 0.00e+00 e 0 439 430 0 >> 569 3.150 1.609 1 U 1.479e+05 0.00e+00 e 0 439 435 0 >> 570 1.908 1.788 1 U 3.271e+05 0.00e+00 e 0 429 430 0 >> 571 1.908 1.609 1 U 7.452e+04 0.00e+00 e 0 429 435 0 >> 572 1.787 1.609 1 U 4.400e+05 0.00e+00 e 0 430 435 0 >> 573 4.045 1.850 1 U 2.964e+05 0.00e+00 e 0 453 457 0 >> 574 4.045 1.647 1 U 8.245e+04 0.00e+00 e 0 453 465 0 >> 575 4.045 1.551 1 U 4.190e+04 0.00e+00 e 0 453 459 0 >> 576 4.045 1.437 1 U 9.714e+04 0.00e+00 e 0 453 460 0 >> 577 1.849 1.647 1 U 4.002e+05 0.00e+00 e 0 457 465 0 >> 578 1.849 1.551 1 U 6.810e+04 0.00e+00 e 0 457 459 0 >> 579 1.849 1.437 1 U 3.363e+05 0.00e+00 e 0 457 460 0 >> 580 1.646 1.551 1 U 1.382e+06 0.00e+00 e 0 465 459 0 >> 581 1.646 1.437 1 U 3.212e+05 0.00e+00 e 0 465 460 0 >> 582 1.550 1.437 1 U 1.527e+06 0.00e+00 e 0 459 460 0 >> 583 3.670 2.645 1 U 1.348e+05 0.00e+00 e 0 488 496 0 >> 584 3.670 2.236 1 U 2.209e+05 0.00e+00 e 0 488 490 0 >> 585 3.670 2.136 1 U 1.593e+05 0.00e+00 e 0 488 491 0 >> 586 2.644 2.236 1 U 4.675e+05 0.00e+00 e 0 496 490 0 >> 587 2.644 2.136 1 U 1.472e+05 0.00e+00 e 0 496 491 0 >> 588 2.235 2.136 1 U 9.336e+05 0.00e+00 e 0 490 491 0 >> 589 4.107 2.287 1 U 8.887e+04 0.00e+00 e 0 503 511 0 >> 590 4.107 2.208 1 U 8.968e+04 0.00e+00 e 0 503 507 0 >> 591 2.286 2.208 1 U 1.555e+06 0.00e+00 e 0 511 507 0 >> 592 4.035 2.511 1 U 2.242e+05 0.00e+00 e 0 549 557 0 >> 593 4.035 2.342 1 U 8.481e+04 0.00e+00 e 0 549 551 0 >> 594 4.035 2.225 1 U 2.174e+05 0.00e+00 e 0 549 552 0 >> 595 2.510 2.342 1 U 4.532e+05 0.00e+00 e 0 557 551 0 >> 596 2.510 2.225 1 U 5.880e+04 0.00e+00 e 0 557 552 0 >> 597 2.341 2.225 1 U 8.467e+05 0.00e+00 e 0 551 552 0 >> 598 4.228 2.518 1 U 1.546e+05 0.00e+00 e 0 564 568 0 >> 599 4.228 2.074 1 U 1.150e+05 0.00e+00 e 0 564 572 0 >> 600 2.517 2.074 1 U 8.405e+04 0.00e+00 e 0 568 572 0 >> 601 4.221 2.009 1 U 1.963e+05 0.00e+00 e 0 579 581 0 >> 602 4.221 1.919 1 U 2.808e+05 0.00e+00 e 0 579 582 0 >> 603 4.221 1.826 1 U 6.938e+04 0.00e+00 e 0 579 585 0 >> 604 2.008 1.919 1 U 7.875e+05 0.00e+00 e 0 581 582 0 >> 605 2.008 1.826 1 U 2.928e+05 0.00e+00 e 0 581 585 0 >> 606 1.918 1.826 1 U 5.228e+05 0.00e+00 e 0 582 585 0 >> 607 4.045 1.802 1 U 1.484e+05 0.00e+00 e 0 627 633 0 >> 608 4.045 1.730 1 U 6.323e+04 0.00e+00 e 0 627 634 0 >> 609 1.801 1.730 1 U 1.167e+06 0.00e+00 e 0 633 634 0 >> 610 4.031 2.552 1 U 7.835e+04 0.00e+00 e 0 653 659 0 >> 611 4.031 2.494 1 U 5.952e+04 0.00e+00 e 0 653 660 0 >> 612 4.031 2.274 1 U 9.524e+04 0.00e+00 e 0 653 655 0 >> 613 4.031 2.177 1 U 1.265e+05 0.00e+00 e 0 653 656 0 >> 614 2.551 2.177 1 U 1.093e+04 0.00e+00 e 0 659 656 0 >> 615 2.551 2.274 1 U 0.000e+00 0.00e+00 - 0 659 655 0 >> 616 2.551 2.494 1 U 3.918e+06 0.00e+00 e 0 659 660 0 >> 617 2.493 2.274 1 U 9.122e+05 0.00e+00 e 0 660 655 0 >> 618 2.493 2.177 1 U 8.462e+03 0.00e+00 e 0 660 656 0 >> 619 2.273 2.177 1 U 6.859e+05 0.00e+00 e 0 655 656 0 >> 620 3.966 1.874 1 U 3.438e+05 0.00e+00 e 0 668 670 0 >> 621 3.966 1.733 1 U 1.202e+05 0.00e+00 e 0 668 671 0 >> 622 3.966 1.568 1 U 1.295e+05 0.00e+00 e 0 668 676 0 >> 623 1.873 1.733 1 U 1.049e+06 0.00e+00 e 0 670 671 0 >> 624 1.873 1.568 1 U 5.072e+04 0.00e+00 e 0 670 676 0 >> 625 1.732 1.568 1 U 7.415e+04 0.00e+00 e 0 671 676 0 >> 626 4.052 2.625 1 U 4.396e+04 0.00e+00 e 0 694 696 0 >> 627 4.052 2.439 1 U 6.071e+04 0.00e+00 e 0 694 697 0 >> 628 4.052 2.177 1 U 1.248e+05 0.00e+00 e 0 694 702 0 >> 629 2.624 2.439 1 U 9.320e+05 0.00e+00 e 0 696 697 0 >> 630 2.624 2.177 1 U 9.695e+04 0.00e+00 e 0 696 702 0 >> 631 2.438 2.177 1 U 5.894e+04 0.00e+00 e 0 697 702 0 >> 632 4.272 2.429 1 U 1.058e+05 0.00e+00 e 0 709 717 0 >> 633 4.272 2.153 1 U 9.992e+04 0.00e+00 e 0 709 711 0 >> 634 4.272 2.067 1 U 2.425e+05 0.00e+00 e 0 709 712 0 >> 635 2.428 2.153 1 U 1.118e+04 0.00e+00 e 0 717 711 0 >> 636 2.428 2.067 1 U 1.671e+05 0.00e+00 e 0 717 712 0 >> 637 2.152 2.067 1 U 1.256e+06 0.00e+00 e 0 711 712 0 >> 638 3.980 3.919 1 U 3.136e+06 0.00e+00 e 0 727 728 0 >> 639 4.376 1.888 1 U 1.037e+05 0.00e+00 e 0 734 736 0 >> 640 4.376 1.733 1 U 9.651e+04 0.00e+00 e 0 734 737 0 >> 641 4.376 1.613 1 U 8.602e+04 0.00e+00 e 0 734 742 0 >> 642 1.887 1.733 1 U 5.289e+05 0.00e+00 e 0 736 737 0 >> 643 1.887 1.613 1 U 1.533e+05 0.00e+00 e 0 736 742 0 >> 644 1.732 1.613 1 U 7.316e+05 0.00e+00 e 0 737 742 0 >> 645 4.321 2.367 1 U 3.473e+04 0.00e+00 e 0 767 775 0 >> 646 4.321 1.912 1 U 3.362e+04 0.00e+00 e 0 767 771 0 >> 647 2.366 1.912 1 U 5.283e+05 0.00e+00 e 0 775 771 0 >> 648 4.668 2.842 1 U 2.390e+05 0.00e+00 e 0 782 784 0 >> 649 4.668 2.718 1 U 1.240e+05 0.00e+00 e 0 782 785 0 >> 650 2.841 2.718 1 U 8.565e+05 0.00e+00 e 0 784 785 0 >> 651 4.118 2.074 1 U 3.418e+04 0.00e+00 e 0 793 795 0 >> 652 4.118 0.859 1 U 1.225e+05 0.00e+00 e 0 793 797 0 >> 653 2.073 0.859 1 U 8.607e+05 0.00e+00 e 0 795 797 0 >> 654 4.513 2.817 1 U 2.421e+05 0.00e+00 e 0 811 813 0 >> 655 4.513 2.756 1 U 1.157e+05 0.00e+00 e 0 811 814 0 >> 656 2.816 2.756 1 U 4.051e+05 0.00e+00 e 0 813 814 0 >> 657 3.154 8.463 1 U 1.702e+04 0.00e+00 e 0 337 323 0 >> 658 3.164 8.009 1 U 5.762e+04 0.00e+00 e 0 680 666 0 >> 659 4.376 3.179 1 U 1.885e+05 0.00e+00 e 0 734 746 0 >> 660 3.178 1.888 1 U 1.260e+05 0.00e+00 e 0 746 736 0 >> 661 3.178 1.733 1 U 2.418e+05 0.00e+00 e 0 746 737 0 >> 662 3.178 1.613 1 U 1.095e+05 0.00e+00 e 0 746 742 0 >> 663 4.045 2.916 1 U 0.000e+00 0.00e+00 - 0 453 469 0 >> 664 2.915 1.850 1 U 0.000e+00 0.00e+00 - 0 469 457 0 >> 665 2.915 1.647 1 U 3.676e+05 0.00e+00 e 0 469 465 0 >> 666 2.915 1.551 1 U 1.605e+04 0.00e+00 e 0 469 459 0 >> 667 2.915 1.437 1 U 1.608e+04 0.00e+00 e 0 469 460 0 >> 668 2.785 6.613 1 U 2.454e+05 0.00e+00 e 0 191 120 0 >> 669 2.985 6.613 1 U 2.541e+05 0.00e+00 e 0 190 120 0 >> 670 4.155 8.048 1 U 1.630e+05 0.00e+00 e 0 89 135 0 >> 671 2.138 7.654 1 U 3.393e+05 0.00e+00 e 0 0 0 0 >> 672 2.486 7.207 1 U 2.983e+04 0.00e+00 e 0 268 275 0 >> 673 2.259 7.208 1 U 2.792e+04 0.00e+00 e 0 270 275 0 >> 674 2.259 6.717 1 U 1.668e+04 0.00e+00 e 0 270 276 0 >> 675 2.486 6.720 1 U 1.649e+04 0.00e+00 e 0 268 276 0 >> 676 7.206 6.717 1 U 5.359e+06 0.00e+00 e 0 275 276 0 >> 677 2.341 6.613 1 U 2.072e+05 0.00e+00 e 0 551 120 0 >> 678 2.224 6.613 1 U 1.001e+05 0.00e+00 e 0 552 120 0 >> 679 2.231 6.759 1 U 4.553e+04 0.00e+00 e 0 0 0 0 >> 681 7.438 6.760 1 U 4.835e+06 0.00e+00 e 0 420 421 0 >> 682 7.555 6.881 1 U 7.875e+06 0.00e+00 e 0 402 403 0 >> 683 4.045 7.527 1 U 0.000e+00 0.00e+00 - 0 453 469 0 >> 684 2.918 7.526 1 U 0.000e+00 0.00e+00 - 0 469 469 0 >> 685 1.849 7.525 1 U 1.148e+04 0.00e+00 e 0 457 469 0 >> 686 1.646 7.529 1 U 0.000e+00 0.00e+00 - 0 465 469 0 >> 687 3.732 3.444 1 U 3.076e+05 0.00e+00 e 0 409 480 0 >> 688 3.732 3.010 1 U 1.978e+05 0.00e+00 e 0 409 481 0 >> 689 3.670 3.272 1 U 1.854e+05 0.00e+00 e 0 488 541 0 >> 690 3.670 3.169 1 U 1.739e+05 0.00e+00 e 0 488 542 0 >> 691 4.042 3.255 1 U 4.804e+05 0.00e+00 e 0 63 116 0 >> 692 4.042 3.158 1 U 8.862e+05 0.00e+00 e 0 63 117 0 >> 693 3.612 0.860 1 U 1.293e+05 0.00e+00 e 0 152 213 0 >> 694 3.612 0.831 1 U 2.167e+04 0.00e+00 e 0 152 214 0 >> 695 4.042 6.987 1 U 5.060e+05 0.00e+00 e 0 63 119 0 >> 696 4.042 6.613 1 U 7.705e+05 0.00e+00 e 0 63 120 0 >> 697 4.035 0.681 1 U 4.562e+05 0.00e+00 e 0 549 612 0 >> 698 4.035 0.305 1 U 2.077e+05 0.00e+00 e 0 549 613 0 >> 699 4.445 1.434 1 U 2.341e+05 0.00e+00 e 0 254 301 0 >> 700 2.093 1.437 1 U 2.279e+04 0.00e+00 e 0 395 460 0 >> 701 2.449 1.437 1 U 1.516e+05 0.00e+00 e 0 398 460 0 >> 703 3.928 1.486 1 U 3.714e+05 0.00e+00 e 0 40 90 0 >> 704 3.150 7.246 1 U 3.777e+05 0.00e+00 e 0 439 441 0 >> 705 1.908 7.246 1 U 7.520e+04 0.00e+00 e 0 429 441 0 >> 706 1.787 7.246 1 U 7.066e+04 0.00e+00 e 0 430 441 0 >> 707 1.608 7.246 1 U 8.031e+04 0.00e+00 e 0 435 441 0 >> 708 1.935 7.921 1 U 8.410e+05 0.00e+00 e 0 232 252 0 >> 709 1.632 8.041 1 U 4.257e+05 0.00e+00 e 0 235 226 0 >> 710 3.116 7.160 1 U 4.588e+05 0.00e+00 e 0 240 242 0 >> 711 3.116 8.041 1 U 5.582e+04 0.00e+00 e 0 240 226 0 >> 712 1.935 7.160 1 U 8.277e+04 0.00e+00 e 0 232 242 0 >> 713 1.760 7.160 1 U 1.100e+05 0.00e+00 e 0 234 242 0 >> 714 1.632 7.160 1 U 1.783e+05 0.00e+00 e 0 235 242 0 >> 715 4.038 1.633 1 U 1.769e+05 0.00e+00 e 0 228 235 0 >> 716 3.116 1.633 1 U 2.037e+05 0.00e+00 e 0 240 235 0 >> 717 3.116 1.761 1 U 3.360e+05 0.00e+00 e 0 240 234 0 >> 718 3.116 1.936 1 U 1.973e+05 0.00e+00 e 0 240 232 0 >> 719 1.935 1.633 1 U 1.952e+05 0.00e+00 e 0 232 235 0 >> 720 1.760 1.633 1 U 9.358e+05 0.00e+00 e 0 234 235 0 >> 721 4.038 3.117 1 U 1.187e+05 0.00e+00 e 0 228 240 0 >> 722 0.913 7.160 1 U 9.886e+04 0.00e+00 e 0 156 242 0 >> 723 3.959 8.238 1 U 4.288e+05 0.00e+00 e 0 32 35 0 >> 724 1.570 7.172 1 U 6.199e+03 0.00e+00 e 0 329 339 0 >> 725 1.712 7.172 1 U 5.025e+03 0.00e+00 e 0 332 339 0 >> 726 1.832 7.172 1 U 2.084e+04 0.00e+00 e 0 331 339 0 >> 727 3.154 7.172 1 U 1.230e+04 0.00e+00 e 0 337 339 0 >> 728 4.379 7.172 1 U 0.000e+00 0.00e+00 - 0 325 339 0 >> 729 4.038 7.166 1 U 1.151e+04 0.00e+00 e 0 228 242 0 >> 730 1.832 8.463 1 U 1.941e+05 0.00e+00 e 0 331 323 0 >> 731 4.379 1.833 1 U 2.063e+05 0.00e+00 e 0 325 331 0 >> 732 3.154 1.833 1 U 4.955e+04 0.00e+00 e 0 337 331 0 >> 733 3.154 1.713 1 U 8.227e+04 0.00e+00 e 0 337 332 0 >> 734 3.154 1.571 1 U 2.976e+05 0.00e+00 e 0 337 329 0 >> 735 1.832 1.571 1 U 1.040e+05 0.00e+00 e 0 331 329 0 >> 736 1.832 1.713 1 U 3.061e+05 0.00e+00 e 0 331 332 0 >> 737 1.710 8.454 1 U 1.364e+05 0.00e+00 e 0 66 61 0 >> 738 1.832 7.348 1 U 9.995e+04 0.00e+00 e 0 65 77 0 >> 739 1.710 7.348 1 U 5.300e+04 0.00e+00 e 0 66 77 0 >> 740 1.627 7.348 1 U 5.484e+04 0.00e+00 e 0 71 77 0 >> 741 3.164 7.348 1 U 3.661e+05 0.00e+00 e 0 75 77 0 >> 742 3.164 8.454 1 U 2.913e+04 0.00e+00 e 0 75 61 0 >> 743 4.042 7.348 1 U 0.000e+00 0.00e+00 - 0 63 77 0 >> 744 3.164 1.833 1 U 1.548e+05 0.00e+00 e 0 75 65 0 >> 745 3.164 1.711 1 U 9.100e+04 0.00e+00 e 0 75 66 0 >> 746 3.164 1.628 1 U 3.661e+05 0.00e+00 e 0 75 71 0 >> 747 4.042 1.711 1 U 3.495e+04 0.00e+00 e 0 63 66 0 >> 748 1.832 1.711 1 U 2.065e+05 0.00e+00 e 0 65 66 0 >> 749 1.710 1.628 1 U 2.847e+05 0.00e+00 e 0 66 71 0 >> 750 4.266 8.234 1 U 2.076e+05 0.00e+00 e 0 605 625 0 >> 751 8.359 8.234 1 U 0.000e+00 0.00e+00 - 0 651 625 0 >> 752 8.233 8.360 1 U 1.428e+05 0.00e+00 e 0 625 651 0 >> 753 4.031 8.009 1 U 1.827e+05 0.00e+00 e 0 653 666 0 >> 754 3.164 1.568 1 U 2.685e+05 0.00e+00 e 0 680 676 0 >> 755 3.164 1.733 1 U 1.159e+05 0.00e+00 e 0 680 671 0 >> 756 3.164 1.874 1 U 3.785e+05 0.00e+00 e 0 680 670 0 >> 757 3.164 7.282 1 U 4.825e+05 0.00e+00 e 0 680 682 0 >> 758 1.873 7.282 1 U 8.973e+04 0.00e+00 e 0 670 682 0 >> 759 1.732 7.282 1 U 7.213e+04 0.00e+00 e 0 671 682 0 >> 760 1.567 7.282 1 U 4.398e+04 0.00e+00 e 0 676 682 0 >> 761 3.966 7.282 1 U 0.000e+00 0.00e+00 - 0 668 682 0 >> 762 4.007 7.246 1 U 6.243e+03 0.00e+00 e 0 427 441 0 >> 763 0.941 7.243 1 U 8.494e+04 0.00e+00 e 0 362 441 0 >> 765 2.276 8.127 1 U 1.480e+04 0.00e+00 e 0 106 112 0 >> 766 4.045 7.302 1 U 7.501e+03 0.00e+00 e 0 627 641 0 >> 767 3.171 7.302 1 U 1.208e+05 0.00e+00 e 0 639 641 0 >> 768 1.956 7.302 1 U 1.589e+04 0.00e+00 e 0 631 641 0 >> 769 1.801 7.302 1 U 1.368e+04 0.00e+00 e 0 633 641 0 >> 770 1.729 7.302 1 U 6.320e+04 0.00e+00 e 0 634 641 0 >> 771 1.956 8.234 1 U 3.349e+05 0.00e+00 e 0 631 625 0 >> 772 3.171 8.234 1 U 1.158e+05 0.00e+00 e 0 639 625 0 >> 773 4.045 1.957 1 U 2.005e+05 0.00e+00 e 0 627 631 0 >> 774 3.171 1.957 1 U 3.647e+04 0.00e+00 e 0 639 631 0 >> 775 3.171 1.802 1 U 1.686e+05 0.00e+00 e 0 639 633 0 >> 776 3.171 1.730 1 U 1.202e+05 0.00e+00 e 0 639 634 0 >> 777 1.956 1.802 1 U 4.405e+05 0.00e+00 e 0 631 633 0 >> 778 1.956 1.730 1 U 1.583e+04 0.00e+00 e 0 631 634 0 >> 779 1.818 7.236 1 U 4.166e+03 0.00e+00 e 0 6 18 0 >> 780 1.746 7.236 1 U 4.192e+03 0.00e+00 e 0 7 18 0 >> 781 1.615 7.236 1 U 5.259e+04 0.00e+00 e 0 12 18 0 >> 782 3.163 7.236 1 U 3.622e+04 0.00e+00 e 0 16 18 0 >> 783 4.267 7.236 1 U 0.000e+00 0.00e+00 - 0 4 18 0 >> 784 1.612 7.193 1 U 1.301e+04 0.00e+00 e 0 742 748 0 >> 785 1.732 7.193 1 U 0.000e+00 0.00e+00 - 0 737 748 0 >> 786 1.887 7.193 1 U 1.147e+04 0.00e+00 e 0 736 748 0 >> 787 3.178 7.193 1 U 3.136e+05 0.00e+00 e 0 746 748 0 >> 788 4.376 7.193 1 U 0.000e+00 0.00e+00 - 0 734 748 0 >> 789 3.178 8.130 1 U 1.613e+05 0.00e+00 e 0 746 732 0 >> 790 1.729 8.042 1 U 4.431e+05 0.00e+00 e 0 586 577 0 >> 791 4.221 1.730 1 U 9.913e+04 0.00e+00 e 0 579 586 0 >> 792 3.254 1.730 1 U 9.571e+04 0.00e+00 e 0 589 586 0 >> 793 3.150 1.730 1 U 1.759e+05 0.00e+00 e 0 590 586 0 >> 794 3.254 1.826 1 U 1.243e+05 0.00e+00 e 0 589 585 0 >> 795 3.150 1.826 1 U 9.765e+04 0.00e+00 e 0 590 585 0 >> 796 3.150 1.919 1 U 1.979e+05 0.00e+00 e 0 590 582 0 >> 797 3.254 1.919 1 U 4.791e+04 0.00e+00 e 0 589 582 0 >> 798 3.254 2.009 1 U 1.460e+04 0.00e+00 e 0 589 581 0 >> 799 3.150 2.009 1 U 4.219e+03 0.00e+00 e 0 590 581 0 >> 800 2.008 1.730 1 U 1.260e+05 0.00e+00 e 0 581 586 0 >> 801 1.918 1.730 1 U 1.206e+05 0.00e+00 e 0 582 586 0 >> 802 1.825 1.730 1 U 1.088e+06 0.00e+00 e 0 585 586 0 >> 803 3.254 7.523 1 U 2.953e+05 0.00e+00 e 0 589 593 0 >> 804 3.150 7.523 1 U 2.114e+05 0.00e+00 e 0 590 593 0 >> 805 2.008 7.523 1 U 8.296e+03 0.00e+00 e 0 581 593 0 >> 806 1.918 7.523 1 U 1.141e+05 0.00e+00 e 0 582 593 0 >> 807 1.825 7.523 1 U 4.401e+04 0.00e+00 e 0 585 593 0 >> 808 1.729 7.523 1 U 1.782e+05 0.00e+00 e 0 586 593 0 >> 809 3.254 8.042 1 U 6.030e+04 0.00e+00 e 0 589 577 0 >> 810 3.150 8.042 1 U 4.963e+04 0.00e+00 e 0 590 577 0 >> 811 4.035 8.199 1 U 8.225e+03 0.00e+00 e 0 549 562 0 >> 812 4.266 8.009 1 U 1.349e+05 0.00e+00 e 0 605 666 0 >> 813 3.959 7.917 1 U 2.294e+05 0.00e+00 e 0 391 451 0 >> 814 3.839 1.565 1 U 7.208e+04 0.00e+00 e 0 137 182 0 >> 815 3.839 1.406 1 U 3.190e+04 0.00e+00 e 0 137 183 0 >> 816 3.839 1.340 1 U 3.494e+04 0.00e+00 e 0 137 186 0 >> 817 3.839 1.224 1 U 1.860e+04 0.00e+00 e 0 137 187 0 >> 818 3.612 1.730 1 U 1.257e+05 0.00e+00 e 0 152 208 0 >> 819 3.612 1.640 1 U 1.169e+05 0.00e+00 e 0 152 209 0 >> 820 3.995 7.439 1 U 2.369e+05 0.00e+00 e 0 0 0 0 >> 821 3.989 7.619 1 U 1.154e+05 0.00e+00 e 0 0 0 0 >> 822 4.038 7.631 1 U 2.099e+05 0.00e+00 e 0 0 0 0 >> 823 4.348 7.900 1 U 2.018e+05 0.00e+00 e 0 0 0 0 >> 824 4.227 7.918 1 U 3.320e+05 0.00e+00 e 0 0 0 0 >> 825 3.608 8.042 1 U 5.032e+04 0.00e+00 e 0 0 0 0 >> 826 4.048 8.126 1 U 1.672e+05 0.00e+00 e 0 0 0 0 >> 827 3.695 8.340 1 U 7.647e+04 0.00e+00 e 0 0 0 0 >> 828 3.749 8.357 1 U 1.554e+05 0.00e+00 e 0 0 0 0 >> 829 4.245 8.454 1 U 1.533e+05 0.00e+00 e 0 47 61 0 >> 830 4.138 8.454 1 U 9.927e+04 0.00e+00 e 0 39 61 0 >> 831 3.928 8.454 1 U 2.731e+05 0.00e+00 e 0 40 61 0 >> 832 0.941 8.342 1 U 4.659e+04 0.00e+00 e 0 362 425 0 >> 833 1.034 8.342 1 U 1.346e+04 0.00e+00 e 0 361 425 0 >> 834 2.067 8.478 1 U 8.725e+04 0.00e+00 e 0 0 0 0 >> 835 1.932 8.454 1 U 2.236e+05 0.00e+00 e 0 54 61 0 >> 836 2.190 8.454 1 U 7.968e+04 0.00e+00 e 0 49 61 0 >> 837 1.894 8.403 1 U 3.224e+05 0.00e+00 e 0 0 0 0 >> 838 2.344 8.357 1 U 1.988e+05 0.00e+00 e 0 0 0 0 >> 839 1.708 8.340 1 U 1.066e+05 0.00e+00 e 0 0 0 0 >> 840 1.873 7.968 1 U 4.919e+05 0.00e+00 e 0 670 692 0 >> 841 1.431 7.583 1 U 9.241e+04 0.00e+00 e 0 0 0 0 >> 842 7.911 8.202 1 U 3.279e+05 0.00e+00 e 0 0 0 0 >> 843 8.034 8.201 1 U 2.848e+05 0.00e+00 e 0 0 0 0 >> 844 4.389 6.987 1 U 7.646e+04 0.00e+00 e 0 0 0 0 >> 845 4.004 6.761 1 U 1.770e+05 0.00e+00 e 0 0 0 0 >> 846 2.542 6.796 1 U 1.983e+04 0.00e+00 e 0 0 0 0 >> 847 0.936 7.292 1 U 1.021e+05 0.00e+00 e 0 0 0 0 >> 848 1.928 0.683 1 U 2.886e+05 0.00e+00 e 0 0 0 0 >> 849 2.193 0.685 1 U 2.907e+05 0.00e+00 e 0 0 0 0 >> 850 2.348 0.682 1 U 1.219e+05 0.00e+00 e 0 0 0 0 >> 851 2.517 0.683 1 U 2.276e+05 0.00e+00 e 0 0 0 0 >> 852 4.228 1.079 1 U 2.050e+05 0.00e+00 e 0 0 0 0 >> 853 3.992 1.041 1 U 2.600e+05 0.00e+00 e 0 0 0 0 >> 854 3.929 1.038 1 U 5.199e+04 0.00e+00 e 0 0 0 0 >> 855 3.154 0.939 1 U 2.135e+05 0.00e+00 e 0 0 0 0 >> 856 3.112 0.912 1 U 1.571e+05 0.00e+00 e 0 0 0 0 >> 858 2.128 8.454 1 U 1.703e+04 0.00e+00 e 0 53 61 0 >> 859 1.836 8.454 1 U 7.258e+04 0.00e+00 e 0 50 61 0 >> 860 4.245 2.191 1 U 5.794e+05 0.00e+00 e 0 47 49 0 >> 861 4.245 2.129 1 U 3.545e+05 0.00e+00 e 0 47 53 0 >> 862 4.245 1.933 1 U 1.781e+05 0.00e+00 e 0 47 54 0 >> 863 4.245 1.837 1 U 0.000e+00 0.00e+00 - 0 47 50 0 >> 864 2.190 2.129 1 U 8.427e+05 0.00e+00 e 0 49 53 0 >> 865 2.190 1.933 1 U 9.015e+05 0.00e+00 e 0 49 54 0 >> 866 2.190 1.837 1 U 8.192e+04 0.00e+00 e 0 49 50 0 >> 867 2.128 1.837 1 U 1.216e+05 0.00e+00 e 0 53 50 0 >> 868 2.128 1.933 1 U 8.980e+05 0.00e+00 e 0 53 54 0 >> 869 1.932 1.837 1 U 2.334e+05 0.00e+00 e 0 54 50 0 >> 875 3.009 8.584 1 U 2.294e+05 0.00e+00 e 0 481 486 0 >> 879 3.612 2.067 1 U 3.879e+05 0.00e+00 e 0 152 154 0 >> 880 0.859 7.812 1 U 5.054e+04 0.00e+00 e 0 213 204 0 >> 881 4.059 2.112 1 U 6.289e+05 0.00e+00 e 0 282 284 0 >> 882 2.455 2.071 1 U 1.657e+05 0.00e+00 e 0 316 312 0 >> 883 2.455 1.878 1 U 3.312e+05 0.00e+00 e 0 316 313 0 >> 884 2.297 2.071 1 U 2.478e+05 0.00e+00 e 0 317 312 0 >> 885 2.297 1.878 1 U 1.774e+05 0.00e+00 e 0 317 313 0 >> 886 4.379 3.155 1 U 5.624e+04 0.00e+00 e 0 325 337 0 >> 887 3.749 2.360 1 U 7.676e+04 0.00e+00 e 0 521 523 0 >> 888 4.221 3.255 1 U 1.217e+05 0.00e+00 e 0 579 589 0 >> 889 4.221 3.151 1 U 4.717e+04 0.00e+00 e 0 579 590 0 >> 890 3.254 3.151 1 U 6.880e+05 0.00e+00 e 0 589 590 0 >> 891 3.966 3.165 1 U 6.293e+04 0.00e+00 e 0 668 680 0 >> 892 2.779 1.340 1 U 1.705e+05 0.00e+00 e 0 191 186 0 >> 894 1.450 0.305 1 U 4.266e+05 0.00e+00 e 0 607 613 0 >> 895 2.511 8.519 1 U 4.463e+04 0.00e+00 e 0 830 2 0 >> 896 2.021 8.519 1 U 4.731e+04 0.00e+00 e 0 826 2 0 >> 897 4.348 2.511 1 U 2.053e+05 0.00e+00 e 0 822 830 0 >> 898 4.348 2.021 1 U 0.000e+00 0.00e+00 - 0 822 826 0 >> 899 2.511 2.021 1 U 1.647e+06 0.00e+00 e 0 830 826 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 . . 9.997 ppm . . . 4.769 . . 30749 1 >> 2 . . H 1 H . . 9.997 ppm . . . 4.769 . . 30749 1 >> >> stop_ >> >>save_ >> ; save_