data_30481 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Recombinant melittin ; _BMRB_accession_number 30481 _BMRB_flat_file_name bmr30481.str _Entry_type original _Submission_date 2018-06-14 _Accession_date 2018-06-14 _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 Ramirez L. M. . 2 Pande J. . . 3 Shekhtman A. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 158 "13C chemical shifts" 93 "15N chemical shifts" 26 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-03 original BMRB . stop_ _Original_release_date 2018-07-06 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Nuclear Magnetic Resonance-Based Structural Characterization and Backbone Dynamics of Recombinant Bee Venom Melittin. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29668274 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramirez L. M. . 2 Pande J. . . 3 Shekhtman A. . . 4 Ramirez L. . . 5 Shekhtman A. . . 6 Pande J. . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 57 _Journal_issue . _Journal_ASTM BICHAW _Journal_ISSN 1520-4995 _Journal_CSD 0033 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2775 _Page_last 2785 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Melittin _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 Melittin _Molecular_mass 2852.487 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 26 _Mol_residue_sequence ; GIGAVLKVLTTGLPALISWI KRKRQQ ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ILE 3 GLY 4 ALA 5 VAL 6 LEU 7 LYS 8 VAL 9 LEU 10 THR 11 THR 12 GLY 13 LEU 14 PRO 15 ALA 16 LEU 17 ILE 18 SER 19 TRP 20 ILE 21 LYS 22 ARG 23 LYS 24 ARG 25 GLN 26 GLN 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 _Gene_mnemonic $entity_1 Honeybee 7460 Eukaryota Metazoa Apis mellifera MELT 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 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.05 mM [U-95% 13C; U-95% 15N] melittin, 10% w/v deuterated glycerol (to increase viscosity), 30% v/v deuterated trifluoroethanol (to stabilize helical structure), and 10% v/v deuterium oxide in 10 mM potassium phosphate buffer at pH 7 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.05 mM '[U-95% 13C; U-95% 15N]' glycerol 10 '% v/v' [U-2H] 'potassium phosphate buffer' 10 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details ; 0.050 mM [U-95% 13C; U-95% 15N] Melittin, 30% v/v deuterated trifluoroethanol (to stabilize helical structure), and 10% v/v deuterium oxide in 10 mM potassium phosphate buffer at pH 7 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.050 mM '[U-95% 13C; U-95% 15N]' 'potassium phosphate buffer' 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version 3.98 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name YASARA _Version 18.4.24 loop_ _Vendor _Address _Electronic_address 'Krieger and Vriend' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CARA _Version 1.9.1 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceII _Field_strength 700 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _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' 10 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 10 . mM pH 7 . pH pressure 1 . atm temperature 285 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 external indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 external 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 ; Assignments made at 298 K (with and without 10% w/v glycerol ) were transferred to spectra at 285 K and with 10% glycerol ; loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HCCH-TOCSY' '3D HNCA' '3D HNCACB' '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' 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 GLY HA2 H 3.563 0.02 2 2 1 1 GLY HA3 H 3.441 0.02 2 3 1 1 GLY CA C 43.701 0.3 1 4 2 2 ILE HA H 3.778 0.02 1 5 2 2 ILE HB H 1.576 0.02 1 6 2 2 ILE HG12 H 1.183 0.02 2 7 2 2 ILE HG13 H 1.095 0.02 2 8 2 2 ILE HG2 H 0.654 0.02 1 9 2 2 ILE HD1 H 0.602 0.02 1 10 2 2 ILE CA C 62.491 0.3 1 11 2 2 ILE CB C 38.354 0.3 1 12 2 2 ILE CG1 C 27.964 0.3 1 13 2 2 ILE CG2 C 16.93 0.3 1 14 2 2 ILE CD1 C 12.776 0.3 1 15 3 3 GLY H H 8.564 0.02 1 16 3 3 GLY HA2 H 3.436 0.02 1 17 3 3 GLY HA3 H 3.558 0.02 1 18 3 3 GLY CA C 46.954 0.3 1 19 3 3 GLY N N 109.085 0.3 1 20 4 4 ALA H H 7.628 0.02 1 21 4 4 ALA HA H 3.828 0.02 1 22 4 4 ALA HB H 1.204 0.02 1 23 4 4 ALA CA C 54.764 0.3 1 24 4 4 ALA CB C 17.948 0.3 1 25 4 4 ALA N N 122.773 0.3 1 26 5 5 VAL H H 7.177 0.02 1 27 5 5 VAL HA H 3.289 0.02 1 28 5 5 VAL HB H 1.954 0.02 1 29 5 5 VAL HG1 H 0.624 0.02 1 30 5 5 VAL HG2 H 0.637 0.02 1 31 5 5 VAL CA C 66.128 0.3 1 32 5 5 VAL CB C 31.704 0.3 1 33 5 5 VAL CG1 C 20.174 0.3 1 34 5 5 VAL CG2 C 20.417 0.3 1 35 5 5 VAL N N 117.444 0.3 1 36 6 6 LEU H H 8.083 0.02 1 37 6 6 LEU HA H 3.765 0.02 1 38 6 6 LEU HB2 H 1.206 0.02 1 39 6 6 LEU HB3 H 1.56 0.02 1 40 6 6 LEU HG H 1.514 0.02 1 41 6 6 LEU HD1 H 0.564 0.02 1 42 6 6 LEU HD2 H 0.556 0.02 1 43 6 6 LEU CA C 57.885 0.3 1 44 6 6 LEU CB C 41.627 0.3 1 45 6 6 LEU CG C 26.525 0.3 1 46 6 6 LEU CD1 C 24.606 0.3 1 47 6 6 LEU CD2 C 24.54 0.3 1 48 6 6 LEU N N 117.746 0.3 1 49 7 7 LYS H H 7.739 0.02 1 50 7 7 LYS HA H 3.671 0.02 1 51 7 7 LYS HB2 H 1.669 0.02 2 52 7 7 LYS HB3 H 1.669 0.02 2 53 7 7 LYS HG2 H 1.093 0.02 2 54 7 7 LYS HG3 H 1.093 0.02 2 55 7 7 LYS HD2 H 1.362 0.02 2 56 7 7 LYS HD3 H 1.362 0.02 2 57 7 7 LYS HE2 H 2.612 0.02 2 58 7 7 LYS HE3 H 2.612 0.02 2 59 7 7 LYS CA C 59.631 0.3 1 60 7 7 LYS CB C 31.958 0.3 1 61 7 7 LYS CG C 25.221 0.3 1 62 7 7 LYS CD C 29.084 0.3 1 63 7 7 LYS CE C 41.844 0.3 1 64 7 7 LYS N N 119.79 0.3 1 65 8 8 VAL H H 7.578 0.02 1 66 8 8 VAL HA H 3.281 0.02 1 67 8 8 VAL HB H 2.017 0.02 1 68 8 8 VAL HG1 H 0.774 0.02 1 69 8 8 VAL HG2 H 0.724 0.02 1 70 8 8 VAL CA C 66.308 0.3 1 71 8 8 VAL CB C 31.612 0.3 1 72 8 8 VAL CG1 C 21.884 0.3 1 73 8 8 VAL CG2 C 21.541 0.3 1 74 8 8 VAL N N 120.557 0.3 1 75 9 9 LEU H H 8.292 0.02 1 76 9 9 LEU HA H 3.782 0.02 1 77 9 9 LEU HB2 H 1.585 0.02 2 78 9 9 LEU HB3 H 1.235 0.02 2 79 9 9 LEU HG H 1.594 0.02 1 80 9 9 LEU HD1 H 0.536 0.02 1 81 9 9 LEU HD2 H 0.536 0.02 1 82 9 9 LEU CA C 57.983 0.3 1 83 9 9 LEU CB C 41.878 0.3 1 84 9 9 LEU CG C 26.191 0.3 1 85 9 9 LEU CD1 C 21.925 0.3 1 86 9 9 LEU CD2 C 21.717 0.3 1 87 9 9 LEU N N 118.727 0.3 1 88 10 10 THR H H 7.871 0.02 1 89 10 10 THR HA H 3.875 0.02 1 90 10 10 THR HB H 4.03 0.02 1 91 10 10 THR HG2 H 1.02 0.02 1 92 10 10 THR CA C 64.204 0.3 1 93 10 10 THR CB C 69.612 0.3 1 94 10 10 THR CG2 C 21.098 0.3 1 95 10 10 THR N N 106.6 0.3 1 96 11 11 THR H H 7.425 0.02 1 97 11 11 THR HA H 4.07 0.02 1 98 11 11 THR HB H 4.006 0.02 1 99 11 11 THR HG2 H 1.022 0.02 1 100 11 11 THR CA C 64.075 0.3 1 101 11 11 THR CB C 69.979 0.3 1 102 11 11 THR CG2 C 20.702 0.3 1 103 11 11 THR N N 113.319 0.3 1 104 12 12 GLY H H 7.997 0.02 1 105 12 12 GLY HA2 H 3.818 0.02 2 106 12 12 GLY HA3 H 3.663 0.02 2 107 12 12 GLY CA C 45.759 0.3 1 108 12 12 GLY N N 109.013 0.3 1 109 13 13 LEU H H 8.109 0.02 1 110 13 13 LEU HA H 4.098 0.02 1 111 13 13 LEU HB2 H 1.515 0.02 1 112 13 13 LEU HB3 H 1.442 0.02 1 113 13 13 LEU HG H 1.413 0.02 1 114 13 13 LEU HD1 H 0.675 0.02 2 115 13 13 LEU HD2 H 0.621 0.02 2 116 13 13 LEU CA C 58.803 0.3 1 117 13 13 LEU CB C 39.611 0.3 1 118 13 13 LEU CG C 26.845 0.3 1 119 13 13 LEU CD1 C 23.793 0.3 1 120 13 13 LEU CD2 C 23.735 0.3 1 121 13 13 LEU N N 121.397 0.3 1 122 14 14 PRO HA H 3.902 0.02 1 123 14 14 PRO HB2 H 1.529 0.02 1 124 14 14 PRO HB3 H 2.025 0.02 1 125 14 14 PRO HG2 H 1.605 0.02 1 126 14 14 PRO HG3 H 1.874 0.02 1 127 14 14 PRO HD2 H 3.449 0.02 1 128 14 14 PRO HD3 H 3.301 0.02 1 129 14 14 PRO CA C 66.485 0.3 1 130 14 14 PRO CB C 30.788 0.3 1 131 14 14 PRO CG C 28.192 0.3 1 132 14 14 PRO CD C 49.822 0.3 1 133 15 15 ALA H H 7.131 0.02 1 134 15 15 ALA HA H 3.871 0.02 1 135 15 15 ALA HB H 1.21 0.02 1 136 15 15 ALA CA C 54.572 0.3 1 137 15 15 ALA CB C 17.737 0.3 1 138 15 15 ALA N N 118.587 0.3 1 139 16 16 LEU H H 7.654 0.02 1 140 16 16 LEU HA H 3.959 0.02 1 141 16 16 LEU HB2 H 1.758 0.02 1 142 16 16 LEU HB3 H 1.311 0.02 1 143 16 16 LEU HG H 1.401 0.02 1 144 16 16 LEU HD1 H 0.657 0.02 2 145 16 16 LEU HD2 H 0.649 0.02 2 146 16 16 LEU CA C 58.213 0.3 1 147 16 16 LEU CB C 41.798 0.3 1 148 16 16 LEU CG C 26.94 0.3 1 149 16 16 LEU CD1 C 23.019 0.3 1 150 16 16 LEU CD2 C 22.84 0.3 1 151 16 16 LEU N N 120.972 0.3 1 152 17 17 ILE H H 8.353 0.02 1 153 17 17 ILE HA H 3.385 0.02 1 154 17 17 ILE HB H 1.598 0.02 1 155 17 17 ILE HG12 H 0.912 0.02 2 156 17 17 ILE HG13 H 0.912 0.02 2 157 17 17 ILE HG2 H 0.6 0.02 1 158 17 17 ILE HD1 H 0.513 0.02 1 159 17 17 ILE CA C 65.162 0.3 1 160 17 17 ILE CB C 37.254 0.3 1 161 17 17 ILE CG1 C 28.823 0.3 1 162 17 17 ILE CG2 C 16.379 0.3 1 163 17 17 ILE CD1 C 11.572 0.3 1 164 17 17 ILE N N 117.822 0.3 1 165 18 18 SER H H 7.709 0.02 1 166 18 18 SER HA H 3.833 0.02 1 167 18 18 SER HB2 H 3.789 0.02 2 168 18 18 SER HB3 H 3.789 0.02 2 169 18 18 SER CA C 62.177 0.3 1 170 18 18 SER CB C 62.669 0.3 1 171 18 18 SER N N 112.919 0.3 1 172 19 19 TRP H H 7.791 0.02 1 173 19 19 TRP HA H 4.014 0.02 1 174 19 19 TRP HB2 H 3.402 0.02 2 175 19 19 TRP HB3 H 3.098 0.02 2 176 19 19 TRP HE1 H 9.741 0.02 1 177 19 19 TRP CA C 61.425 0.3 1 178 19 19 TRP CB C 28.935 0.3 1 179 19 19 TRP N N 122.831 0.3 1 180 19 19 TRP NE1 N 127.346 0.3 1 181 20 20 ILE H H 8.512 0.02 1 182 20 20 ILE HA H 3.112 0.02 1 183 20 20 ILE HB H 1.734 0.02 1 184 20 20 ILE HG12 H 1.084 0.02 2 185 20 20 ILE HG13 H 0.995 0.02 2 186 20 20 ILE HG2 H 0.604 0.02 1 187 20 20 ILE HD1 H 0.602 0.02 1 188 20 20 ILE CA C 65.658 0.3 1 189 20 20 ILE CB C 38.061 0.3 1 190 20 20 ILE CG1 C 28.225 0.3 1 191 20 20 ILE CG2 C 16.312 0.3 1 192 20 20 ILE CD1 C 12.466 0.3 1 193 20 20 ILE N N 119.903 0.3 1 194 21 21 LYS H H 8.129 0.02 1 195 21 21 LYS HA H 3.642 0.02 1 196 21 21 LYS HB2 H 1.594 0.02 2 197 21 21 LYS HB3 H 1.594 0.02 2 198 21 21 LYS HG2 H 1.374 0.02 1 199 21 21 LYS HG3 H 1.374 0.02 1 200 21 21 LYS HD2 H 1.361 0.02 2 201 21 21 LYS HD3 H 1.361 0.02 2 202 21 21 LYS HE2 H 2.612 0.02 2 203 21 21 LYS HE3 H 2.612 0.02 2 204 21 21 LYS CA C 59.049 0.3 1 205 21 21 LYS CB C 32.322 0.3 1 206 21 21 LYS CG C 25.686 0.3 1 207 21 21 LYS CD C 29.102 0.3 1 208 21 21 LYS CE C 41.536 0.3 1 209 21 21 LYS N N 117.253 0.3 1 210 22 22 ARG H H 7.387 0.02 1 211 22 22 ARG HA H 3.829 0.02 1 212 22 22 ARG HB2 H 1.583 0.02 2 213 22 22 ARG HB3 H 1.583 0.02 2 214 22 22 ARG HG2 H 1.294 0.02 2 215 22 22 ARG HG3 H 1.4 0.02 2 216 22 22 ARG HD2 H 2.795 0.02 2 217 22 22 ARG HD3 H 2.795 0.02 2 218 22 22 ARG CA C 57.861 0.3 1 219 22 22 ARG CB C 29.999 0.3 1 220 22 22 ARG CG C 27.15 0.3 1 221 22 22 ARG CD C 43.008 0.3 1 222 22 22 ARG N N 117.539 0.3 1 223 23 23 LYS H H 7.802 0.02 1 224 23 23 LYS HA H 3.707 0.02 1 225 23 23 LYS HB2 H 1.223 0.02 1 226 23 23 LYS HB3 H 1.318 0.02 1 227 23 23 LYS HG2 H 1.221 0.02 1 228 23 23 LYS HG3 H 1.111 0.02 1 229 23 23 LYS HD2 H 1.088 0.02 2 230 23 23 LYS HD3 H 1.088 0.02 2 231 23 23 LYS HE2 H 2.501 0.02 2 232 23 23 LYS HE3 H 2.406 0.02 2 233 23 23 LYS CA C 56.978 0.3 1 234 23 23 LYS CB C 31.461 0.3 1 235 23 23 LYS CG C 24.798 0.3 1 236 23 23 LYS CD C 29.11 0.3 1 237 23 23 LYS CE C 41.658 0.3 1 238 23 23 LYS N N 119.511 0.3 1 239 24 24 ARG H H 7.778 0.02 1 240 24 24 ARG HA H 3.922 0.02 1 241 24 24 ARG HB2 H 1.63 0.02 2 242 24 24 ARG HB3 H 1.494 0.02 2 243 24 24 ARG HG2 H 1.292 0.02 2 244 24 24 ARG HG3 H 1.39 0.02 2 245 24 24 ARG HD2 H 2.812 0.02 2 246 24 24 ARG HD3 H 2.812 0.02 2 247 24 24 ARG CA C 56.423 0.3 1 248 24 24 ARG CB C 30.135 0.3 1 249 24 24 ARG CG C 26.76 0.3 1 250 24 24 ARG CD C 42.906 0.3 1 251 24 24 ARG N N 118.211 0.3 1 252 25 25 GLN H H 7.607 0.02 1 253 25 25 GLN HA H 3.865 0.02 1 254 25 25 GLN HB2 H 1.833 0.02 2 255 25 25 GLN HB3 H 1.639 0.02 2 256 25 25 GLN HG2 H 2.019 0.02 2 257 25 25 GLN HG3 H 2.019 0.02 2 258 25 25 GLN HE21 H 7.307 0.02 5 259 25 25 GLN HE22 H 6.547 0.02 5 260 25 25 GLN CA C 57.345 0.3 1 261 25 25 GLN CB C 30.607 0.3 1 262 25 25 GLN CG C 34.162 0.3 1 263 25 25 GLN N N 124.767 0.3 1 264 25 25 GLN NE2 N 111.268 0.3 5 265 26 26 GLN H H 7.613 0.02 1 266 26 26 GLN HA H 3.983 0.02 1 267 26 26 GLN HB2 H 1.873 0.02 2 268 26 26 GLN HB3 H 1.778 0.02 2 269 26 26 GLN HG2 H 2.091 0.02 2 270 26 26 GLN HG3 H 2.091 0.02 2 271 26 26 GLN HE21 H 7.356 0.02 5 272 26 26 GLN HE22 H 6.544 0.02 5 273 26 26 GLN CA C 55.98 0.3 1 274 26 26 GLN CB C 28.99 0.3 1 275 26 26 GLN CG C 33.764 0.3 1 276 26 26 GLN N N 125.125 0.3 1 277 26 26 GLN NE2 N 111.402 0.3 5 stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-13C NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H H 2 C C-aliphatic 3 H H stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_2 _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 30481 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 2 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 >> _Spectral_peak_list.Experiment_ID 2 >> _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _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 3 >># FORMAT xeasy3D >># INAME 1 HC >># INAME 2 H >># INAME 3 C >># SPECTRUM C13NOESY HC H C >> 1 1.954 0.564 31.704 0 U 9.459E+03 0.000E+00 - 0 0 0 0 >> 3 1.954 0.624 31.704 0 U 1.605E+04 0.000E+00 - 0 0 0 0 >> 4 1.954 3.778 31.704 0 U 4.663E+03 0.000E+00 - 0 0 0 0 >> 5 1.954 0.654 31.704 0 U 1.629E+04 0.000E+00 - 0 0 0 0 >> 6 1.954 8.083 31.704 0 U 2.533E+03 0.000E+00 - 0 0 0 0 >> 7 1.954 7.177 31.704 0 U 5.115E+03 0.000E+00 - 0 0 0 0 >> 8 1.954 0.602 31.704 0 U 1.605E+04 0.000E+00 - 0 0 0 0 >> 9 1.954 0.637 31.704 0 U 1.629E+04 0.000E+00 - 0 0 0 0 >> 10 3.829 1.294 57.861 0 U 6.689E+03 0.000E+00 - 0 0 0 0 >> 11 3.829 1.292 57.861 0 U 6.689E+03 0.000E+00 - 0 0 0 0 >> 12 3.829 2.812 57.861 0 U 3.590E+03 0.000E+00 - 0 0 0 0 >> 13 3.829 7.387 57.861 0 U 5.406E+03 0.000E+00 - 0 0 0 0 >> 15 3.829 1.594 57.861 0 U 1.251E+04 0.000E+00 - 0 0 0 0 >> 16 3.829 1.390 57.861 0 U 6.855E+03 0.000E+00 - 0 0 0 0 >> 17 3.829 1.361 57.861 0 U 7.094E+03 0.000E+00 - 0 0 0 0 >> 18 3.829 1.400 57.861 0 U 6.168E+03 0.000E+00 - 0 0 0 0 >> 19 3.829 2.795 57.861 0 U 3.590E+03 0.000E+00 - 0 0 0 0 >> 20 3.829 1.583 57.861 0 U 1.433E+04 0.000E+00 - 0 0 0 0 >> 21 0.621 1.413 23.735 0 U 2.319E+04 0.000E+00 - 0 0 0 0 >> 22 0.621 1.515 23.735 0 U 1.325E+04 0.000E+00 - 0 0 0 0 >> 23 0.621 0.675 23.735 0 U 2.171E+05 0.000E+00 - 0 0 0 0 >> 24 0.621 1.442 23.735 0 U 2.372E+04 0.000E+00 - 0 0 0 0 >> 25 0.621 4.098 23.735 0 U 5.519E+03 0.000E+00 - 0 0 0 0 >> 26 3.449 1.442 49.822 0 U 4.465E+03 0.000E+00 - 0 0 0 0 >> 27 3.449 3.301 49.822 0 U 5.201E+03 0.000E+00 - 0 0 0 0 >> 28 3.871 1.210 54.572 0 U 1.083E+04 0.000E+00 - 0 0 0 0 >> 29 3.871 3.902 54.572 0 U 1.556E+04 0.000E+00 - 0 0 0 0 >> 30 3.871 3.959 54.572 0 U 5.531E+03 0.000E+00 - 0 0 0 0 >> 31 3.833 3.789 62.177 0 U 1.876E+04 0.000E+00 - 0 0 0 0 >> 32 1.874 3.902 28.192 0 U 3.460E+03 0.000E+00 - 0 0 0 0 >> 33 1.874 1.605 28.192 0 U 6.844E+03 0.000E+00 - 0 0 0 0 >> 34 1.874 1.529 28.192 0 U 4.366E+03 0.000E+00 - 0 0 0 0 >> 35 1.874 2.025 28.192 0 U 5.904E+03 0.000E+00 - 0 0 0 0 >> 36 0.536 7.739 21.925 0 U 1.563E+03 0.000E+00 - 0 0 0 0 >> 37 0.536 0.536 21.925 0 U 3.443E+05 0.000E+00 - 0 0 0 0 >> 38 0.536 8.292 21.925 0 U 3.537E+03 0.000E+00 - 0 0 0 0 >> 39 0.536 1.594 21.925 0 U 2.514E+04 0.000E+00 - 0 0 0 0 >> 40 0.536 1.235 21.925 0 U 1.363E+04 0.000E+00 - 0 0 0 0 >> 41 0.536 2.017 21.925 0 U 5.448E+03 0.000E+00 - 0 0 0 0 >> 42 0.536 3.782 21.925 0 U 1.794E+04 0.000E+00 - 0 0 0 0 >> 43 0.536 1.585 21.925 0 U 2.514E+04 0.000E+00 - 0 0 0 0 >> 44 0.564 1.954 24.606 0 U 4.343E+03 0.000E+00 - 0 0 0 0 >> 45 0.564 1.204 24.606 0 U 1.923E+04 0.000E+00 - 0 0 0 0 >> 46 0.564 3.765 24.606 0 U 6.486E+03 0.000E+00 - 0 0 0 0 >> 47 0.564 1.560 24.606 0 U 2.033E+04 0.000E+00 - 0 0 0 0 >> 48 0.564 0.556 24.606 0 U 3.493E+05 0.000E+00 - 0 0 0 0 >> 49 0.564 0.624 24.606 0 U 2.818E+05 0.000E+00 - 0 0 0 0 >> 50 0.564 1.206 24.606 0 U 1.923E+04 0.000E+00 - 0 0 0 0 >> 51 0.564 1.514 24.606 0 U 2.084E+04 0.000E+00 - 0 0 0 0 >> 52 0.564 1.362 24.606 0 U 1.548E+04 0.000E+00 - 0 0 0 0 >> 53 0.564 1.669 24.606 0 U 5.656E+03 0.000E+00 - 0 0 0 0 >> 54 0.564 0.637 24.606 0 U 1.794E+05 0.000E+00 - 0 0 0 0 >> 55 3.663 7.997 45.759 0 U 3.274E+03 0.000E+00 - 0 0 0 0 >> 56 3.663 3.818 45.759 0 U 8.276E+03 0.000E+00 - 0 0 0 0 >> 58 3.642 1.594 59.049 0 U 9.947E+03 0.000E+00 - 0 0 0 0 >> 59 3.642 1.361 59.049 0 U 6.915E+03 0.000E+00 - 0 0 0 0 >> 60 3.642 1.374 59.049 0 U 7.012E+03 0.000E+00 - 0 0 0 0 >> 61 1.873 3.983 28.990 0 U 5.977E+03 0.000E+00 - 0 0 0 0 >> 62 1.873 1.778 28.990 0 U 2.607E+04 0.000E+00 - 0 0 0 0 >> 63 1.873 1.630 28.990 0 U 8.455E+03 0.000E+00 - 0 0 0 0 >> 64 1.873 2.091 28.990 0 U 1.454E+04 0.000E+00 - 0 0 0 0 >> 65 1.204 0.564 17.948 0 U 3.279E+03 0.000E+00 - 0 0 0 0 >> 66 1.204 1.576 17.948 0 U 3.831E+03 0.000E+00 - 0 0 0 0 >> 67 1.204 3.765 17.948 0 U 8.856E+03 0.000E+00 - 0 0 0 0 >> 68 1.204 1.560 17.948 0 U 3.831E+03 0.000E+00 - 0 0 0 0 >> 69 1.204 0.556 17.948 0 U 3.279E+03 0.000E+00 - 0 0 0 0 >> 70 1.204 3.828 17.948 0 U 2.448E+04 0.000E+00 - 0 0 0 0 >> 71 1.204 0.624 17.948 0 U 5.617E+03 0.000E+00 - 0 0 0 0 >> 72 1.204 0.774 17.948 0 U 6.352E+03 0.000E+00 - 0 0 0 0 >> 73 1.204 7.628 17.948 0 U 1.083E+04 0.000E+00 - 0 0 0 0 >> 74 1.204 7.177 17.948 0 U 6.945E+03 0.000E+00 - 0 0 0 0 >> 75 1.204 1.206 17.948 0 U 1.612E+05 0.000E+00 - 0 0 0 0 >> 76 1.204 0.637 17.948 0 U 5.505E+03 0.000E+00 - 0 0 0 0 >> 77 3.983 1.873 55.980 0 U 9.942E+03 0.000E+00 - 0 0 0 0 >> 78 3.983 1.778 55.980 0 U 8.603E+03 0.000E+00 - 0 0 0 0 >> 79 3.983 3.865 55.980 0 U 6.654E+03 0.000E+00 - 0 0 0 0 >> 80 3.983 2.091 55.980 0 U 7.650E+03 0.000E+00 - 0 0 0 0 >> 81 3.983 7.613 55.980 0 U 8.435E+03 0.000E+00 - 0 0 0 0 >> 82 3.983 7.607 55.980 0 U 8.435E+03 0.000E+00 - 0 0 0 0 >> 83 4.030 4.006 69.612 0 U 2.507E+04 0.000E+00 - 0 0 0 0 >> 84 4.030 4.070 69.612 0 U 2.267E+04 0.000E+00 - 0 0 0 0 >> 85 4.030 1.020 69.612 0 U 1.842E+04 0.000E+00 - 0 0 0 0 >> 86 4.030 3.875 69.612 0 U 1.218E+04 0.000E+00 - 0 0 0 0 >> 87 4.030 1.022 69.612 0 U 1.842E+04 0.000E+00 - 0 0 0 0 >> 88 1.778 1.873 28.990 0 U 2.680E+04 0.000E+00 - 0 0 0 0 >> 89 1.778 3.983 28.990 0 U 6.647E+03 0.000E+00 - 0 0 0 0 >> 90 1.778 2.091 28.990 0 U 1.186E+04 0.000E+00 - 0 0 0 0 >> 91 3.281 0.556 66.308 0 U 7.424E+03 0.000E+00 - 0 0 0 0 >> 92 3.281 0.774 66.308 0 U 9.501E+03 0.000E+00 - 0 0 0 0 >> 93 3.281 0.724 66.308 0 U 1.228E+04 0.000E+00 - 0 0 0 0 >> 94 3.281 2.017 66.308 0 U 7.164E+03 0.000E+00 - 0 0 0 0 >> 95 1.576 1.204 38.354 0 U 4.102E+03 0.000E+00 - 0 0 0 0 >> 96 1.576 3.778 38.354 0 U 4.578E+03 0.000E+00 - 0 0 0 0 >> 97 1.576 0.654 38.354 0 U 1.149E+04 0.000E+00 - 0 0 0 0 >> 98 1.576 0.602 38.354 0 U 1.100E+04 0.000E+00 - 0 0 0 0 >> 99 3.436 3.563 46.954 0 U 1.437E+04 0.000E+00 - 0 0 0 0 >> 100 3.436 8.564 46.954 0 U 2.975E+03 0.000E+00 - 0 0 0 0 >> 101 3.436 0.654 46.954 0 U 3.602E+03 0.000E+00 - 0 0 0 0 >> 102 3.436 3.558 46.954 0 U 1.437E+04 0.000E+00 - 0 0 0 0 >> 103 3.436 3.441 46.954 0 U 1.363E+04 0.000E+00 - 0 0 0 0 >> 104 0.657 0.649 23.019 0 U 1.729E+05 0.000E+00 - 0 0 0 0 >> 105 0.657 1.401 23.019 0 U 1.276E+04 0.000E+00 - 0 0 0 0 >> 106 0.657 1.758 23.019 0 U 9.711E+03 0.000E+00 - 0 0 0 0 >> 107 0.657 3.959 23.019 0 U 6.773E+03 0.000E+00 - 0 0 0 0 >> 108 0.657 0.600 23.019 0 U 1.313E+05 0.000E+00 - 0 0 0 0 >> 109 0.657 1.311 23.019 0 U 1.473E+04 0.000E+00 - 0 0 0 0 >> 110 3.922 1.630 56.423 0 U 5.388E+03 0.000E+00 - 0 0 0 0 >> 111 3.922 1.390 56.423 0 U 4.478E+03 0.000E+00 - 0 0 0 0 >> 112 3.922 1.400 56.423 0 U 5.638E+03 0.000E+00 - 0 0 0 0 >> 113 3.922 1.494 56.423 0 U 6.941E+03 0.000E+00 - 0 0 0 0 >> 114 3.922 7.778 56.423 0 U 5.830E+03 0.000E+00 - 0 0 0 0 >> 115 1.630 1.873 30.135 0 U 1.525E+04 0.000E+00 - 0 0 0 0 >> 116 1.630 3.922 30.135 0 U 3.075E+03 0.000E+00 - 0 0 0 0 >> 117 1.630 1.292 30.135 0 U 5.764E+03 0.000E+00 - 0 0 0 0 >> 118 1.630 2.812 30.135 0 U 3.335E+03 0.000E+00 - 0 0 0 0 >> 119 1.630 1.833 30.135 0 U 2.241E+04 0.000E+00 - 0 0 0 0 >> 120 1.630 1.390 30.135 0 U 5.430E+03 0.000E+00 - 0 0 0 0 >> 121 1.630 1.494 30.135 0 U 1.214E+04 0.000E+00 - 0 0 0 0 >> 122 1.630 2.019 30.135 0 U 8.104E+03 0.000E+00 - 0 0 0 0 >> 123 1.630 7.778 30.135 0 U 2.767E+03 0.000E+00 - 0 0 0 0 >> 124 3.765 0.564 57.885 0 U 1.888E+04 0.000E+00 - 0 0 0 0 >> 125 3.765 1.204 57.885 0 U 7.580E+03 0.000E+00 - 0 0 0 0 >> 126 3.765 1.560 57.885 0 U 1.216E+04 0.000E+00 - 0 0 0 0 >> 127 3.765 0.556 57.885 0 U 1.888E+04 0.000E+00 - 0 0 0 0 >> 128 3.765 0.624 57.885 0 U 1.140E+04 0.000E+00 - 0 0 0 0 >> 129 3.765 0.724 57.885 0 U 4.956E+03 0.000E+00 - 0 0 0 0 >> 130 3.765 1.206 57.885 0 U 7.580E+03 0.000E+00 - 0 0 0 0 >> 131 3.765 0.637 57.885 0 U 8.128E+03 0.000E+00 - 0 0 0 0 >> 132 2.612 1.111 41.536 0 U 9.154E+03 0.000E+00 - 0 0 0 0 >> 133 2.612 0.604 41.536 0 U 7.356E+03 0.000E+00 - 0 0 0 0 >> 135 2.612 1.594 41.536 0 U 4.216E+03 0.000E+00 - 0 0 0 0 >> 136 2.612 1.361 41.536 0 U 2.981E+04 0.000E+00 - 0 0 0 0 >> 138 1.294 3.829 27.150 0 U 3.711E+03 0.000E+00 - 0 0 0 0 >> 139 1.294 7.802 27.150 0 U 3.956E+03 0.000E+00 - 0 0 0 0 >> 140 1.294 1.292 27.150 0 U 3.102E+04 0.000E+00 - 0 0 0 0 >> 141 1.294 1.390 27.150 0 U 2.657E+04 0.000E+00 - 0 0 0 0 >> 142 1.294 1.361 27.150 0 U 2.907E+04 0.000E+00 - 0 0 0 0 >> 143 1.294 1.223 27.150 0 U 1.437E+04 0.000E+00 - 0 0 0 0 >> 144 1.294 1.374 27.150 0 U 2.657E+04 0.000E+00 - 0 0 0 0 >> 145 1.294 1.318 27.150 0 U 3.109E+04 0.000E+00 - 0 0 0 0 >> 146 1.294 1.400 27.150 0 U 2.406E+04 0.000E+00 - 0 0 0 0 >> 147 1.294 2.795 27.150 0 U 8.957E+03 0.000E+00 - 0 0 0 0 >> 148 3.671 1.093 59.631 0 U 5.438E+03 0.000E+00 - 0 0 0 0 >> 149 3.671 1.362 59.631 0 U 5.368E+03 0.000E+00 - 0 0 0 0 >> 150 3.671 1.669 59.631 0 U 1.004E+04 0.000E+00 - 0 0 0 0 >> 151 1.734 3.112 38.061 0 U 2.907E+03 0.000E+00 - 0 0 0 0 >> 152 1.734 0.604 38.061 0 U 1.163E+04 0.000E+00 - 0 0 0 0 >> 153 1.734 8.512 38.061 0 U 2.443E+03 0.000E+00 - 0 0 0 0 >> 154 1.734 1.758 38.061 0 U 7.969E+03 0.000E+00 - 0 0 0 0 >> 155 1.734 8.129 38.061 0 U 1.833E+03 0.000E+00 - 0 0 0 0 >> 157 1.734 0.602 38.061 0 U 1.163E+04 0.000E+00 - 0 0 0 0 >> 158 0.649 0.657 22.840 0 U 1.882E+05 0.000E+00 - 0 0 0 0 >> 159 0.649 1.401 22.840 0 U 1.339E+04 0.000E+00 - 0 0 0 0 >> 160 0.649 1.758 22.840 0 U 1.086E+04 0.000E+00 - 0 0 0 0 >> 161 0.649 3.959 22.840 0 U 8.505E+03 0.000E+00 - 0 0 0 0 >> 162 0.649 0.600 22.840 0 U 1.487E+05 0.000E+00 - 0 0 0 0 >> 163 0.649 1.311 22.840 0 U 1.694E+04 0.000E+00 - 0 0 0 0 >> 164 3.289 1.954 66.128 0 U 8.168E+03 0.000E+00 - 0 0 0 0 >> 165 3.289 0.556 66.128 0 U 7.965E+03 0.000E+00 - 0 0 0 0 >> 166 3.289 0.624 66.128 0 U 1.315E+04 0.000E+00 - 0 0 0 0 >> 167 3.289 7.628 66.128 0 U 4.126E+03 0.000E+00 - 0 0 0 0 >> 168 3.289 0.637 66.128 0 U 1.364E+04 0.000E+00 - 0 0 0 0 >> 169 1.292 3.829 26.760 0 U 1.455E+03 0.000E+00 - 0 0 0 0 >> 170 1.292 1.630 26.760 0 U 3.469E+03 0.000E+00 - 0 0 0 0 >> 171 1.292 1.294 26.760 0 U 1.638E+04 0.000E+00 - 0 0 0 0 >> 172 1.292 7.802 26.760 0 U 1.944E+03 0.000E+00 - 0 0 0 0 >> 173 1.292 2.812 26.760 0 U 3.789E+03 0.000E+00 - 0 0 0 0 >> 175 1.292 1.390 26.760 0 U 1.461E+04 0.000E+00 - 0 0 0 0 >> 176 1.292 1.223 26.760 0 U 7.008E+03 0.000E+00 - 0 0 0 0 >> 177 1.292 1.318 26.760 0 U 1.685E+04 0.000E+00 - 0 0 0 0 >> 178 1.292 1.400 26.760 0 U 1.280E+04 0.000E+00 - 0 0 0 0 >> 179 1.292 2.795 26.760 0 U 3.789E+03 0.000E+00 - 0 0 0 0 >> 180 1.292 1.494 26.760 0 U 6.011E+03 0.000E+00 - 0 0 0 0 >> 181 1.292 1.221 26.760 0 U 7.008E+03 0.000E+00 - 0 0 0 0 >> 182 1.292 7.778 26.760 0 U 2.363E+03 0.000E+00 - 0 0 0 0 >> 183 3.112 1.734 65.658 0 U 4.363E+03 0.000E+00 - 0 0 0 0 >> 184 3.112 0.604 65.658 0 U 8.698E+03 0.000E+00 - 0 0 0 0 >> 185 3.112 3.098 65.658 0 U 9.477E+03 0.000E+00 - 0 0 0 0 >> 186 3.112 0.602 65.658 0 U 8.698E+03 0.000E+00 - 0 0 0 0 >> 187 0.995 0.604 28.225 0 U 1.652E+04 0.000E+00 - 0 0 0 0 >> 188 0.995 1.084 28.225 0 U 2.105E+04 0.000E+00 - 0 0 0 0 >> 189 0.995 0.602 28.225 0 U 1.652E+04 0.000E+00 - 0 0 0 0 >> 190 2.812 3.829 42.906 0 U 3.165E+03 0.000E+00 - 0 0 0 0 >> 191 2.812 1.630 42.906 0 U 8.613E+03 0.000E+00 - 0 0 0 0 >> 192 2.812 1.292 42.906 0 U 1.182E+04 0.000E+00 - 0 0 0 0 >> 193 2.812 1.390 42.906 0 U 1.278E+04 0.000E+00 - 0 0 0 0 >> 194 2.812 2.795 42.906 0 U 1.320E+05 0.000E+00 - 0 0 0 0 >> 195 2.812 1.494 42.906 0 U 8.915E+03 0.000E+00 - 0 0 0 0 >> 196 2.812 7.778 42.906 0 U 2.722E+03 0.000E+00 - 0 0 0 0 >> 197 0.912 1.529 28.823 0 U 3.406E+03 0.000E+00 - 0 0 0 0 >> 198 0.912 0.513 28.823 0 U 5.865E+03 0.000E+00 - 0 0 0 0 >> 199 0.912 0.600 28.823 0 U 1.670E+04 0.000E+00 - 0 0 0 0 >> 200 1.560 0.564 41.627 0 U 1.090E+04 0.000E+00 - 0 0 0 0 >> 201 1.560 1.204 41.627 0 U 9.432E+03 0.000E+00 - 0 0 0 0 >> 202 1.560 3.765 41.627 0 U 5.284E+03 0.000E+00 - 0 0 0 0 >> 203 1.560 0.556 41.627 0 U 1.090E+04 0.000E+00 - 0 0 0 0 >> 204 1.560 0.624 41.627 0 U 6.628E+03 0.000E+00 - 0 0 0 0 >> 205 1.560 1.206 41.627 0 U 9.432E+03 0.000E+00 - 0 0 0 0 >> 206 1.560 1.514 41.627 0 U 1.215E+04 0.000E+00 - 0 0 0 0 >> 207 1.560 0.637 41.627 0 U 3.817E+03 0.000E+00 - 0 0 0 0 >> 208 0.556 0.564 24.540 0 U 3.396E+05 0.000E+00 - 0 0 0 0 >> 209 0.556 1.204 24.540 0 U 1.806E+04 0.000E+00 - 0 0 0 0 >> 211 0.556 3.765 24.540 0 U 6.098E+03 0.000E+00 - 0 0 0 0 >> 213 0.556 1.560 24.540 0 U 2.077E+04 0.000E+00 - 0 0 0 0 >> 214 0.556 0.624 24.540 0 U 2.523E+05 0.000E+00 - 0 0 0 0 >> 215 0.556 7.628 24.540 0 U 4.108E+03 0.000E+00 - 0 0 0 0 >> 216 0.556 8.083 24.540 0 U 3.683E+03 0.000E+00 - 0 0 0 0 >> 217 0.556 1.206 24.540 0 U 1.806E+04 0.000E+00 - 0 0 0 0 >> 218 0.556 1.514 24.540 0 U 1.957E+04 0.000E+00 - 0 0 0 0 >> 219 0.556 7.578 24.540 0 U 3.923E+03 0.000E+00 - 0 0 0 0 >> 220 0.556 1.362 24.540 0 U 1.265E+04 0.000E+00 - 0 0 0 0 >> 221 0.556 1.669 24.540 0 U 5.516E+03 0.000E+00 - 0 0 0 0 >> 222 0.556 0.637 24.540 0 U 1.564E+05 0.000E+00 - 0 0 0 0 >> 223 1.639 1.833 30.607 0 U 3.616E+04 0.000E+00 - 0 0 0 0 >> 224 1.639 3.865 30.607 0 U 5.912E+03 0.000E+00 - 0 0 0 0 >> 226 1.639 1.390 30.607 0 U 6.141E+03 0.000E+00 - 0 0 0 0 >> 227 1.639 2.019 30.607 0 U 1.414E+04 0.000E+00 - 0 0 0 0 >> 228 3.828 1.204 54.764 0 U 1.123E+04 0.000E+00 - 0 0 0 0 >> 229 3.828 7.628 54.764 0 U 2.836E+03 0.000E+00 - 0 0 0 0 >> 230 3.828 1.183 54.764 0 U 1.147E+04 0.000E+00 - 0 0 0 0 >> 231 3.828 1.669 54.764 0 U 5.038E+03 0.000E+00 - 0 0 0 0 >> 232 4.014 3.098 61.425 0 U 4.434E+03 0.000E+00 - 0 0 0 0 >> 233 1.598 0.513 37.254 0 U 3.225E+03 0.000E+00 - 0 0 0 0 >> 235 1.598 0.600 37.254 0 U 5.887E+03 0.000E+00 - 0 0 0 0 >> 236 0.536 0.536 21.717 0 U 3.443E+05 0.000E+00 - 0 0 0 0 >> 237 0.536 8.292 21.717 0 U 3.537E+03 0.000E+00 - 0 0 0 0 >> 238 0.536 1.594 21.717 0 U 2.514E+04 0.000E+00 - 0 0 0 0 >> 239 0.536 1.235 21.717 0 U 1.363E+04 0.000E+00 - 0 0 0 0 >> 240 0.536 2.017 21.717 0 U 5.448E+03 0.000E+00 - 0 0 0 0 >> 241 0.536 3.782 21.717 0 U 1.794E+04 0.000E+00 - 0 0 0 0 >> 242 0.536 1.585 21.717 0 U 2.514E+04 0.000E+00 - 0 0 0 0 >> 243 0.624 1.954 20.174 0 U 1.287E+04 0.000E+00 - 0 0 0 0 >> 244 0.624 0.564 20.174 0 U 6.248E+04 0.000E+00 - 0 0 0 0 >> 245 0.624 1.204 20.174 0 U 3.484E+03 0.000E+00 - 0 0 0 0 >> 246 0.624 3.765 20.174 0 U 5.425E+03 0.000E+00 - 0 0 0 0 >> 248 0.624 1.560 20.174 0 U 6.162E+03 0.000E+00 - 0 0 0 0 >> 249 0.624 0.556 20.174 0 U 6.248E+04 0.000E+00 - 0 0 0 0 >> 250 0.624 8.083 20.174 0 U 1.744E+03 0.000E+00 - 0 0 0 0 >> 251 0.624 1.206 20.174 0 U 3.484E+03 0.000E+00 - 0 0 0 0 >> 252 0.624 1.514 20.174 0 U 3.378E+03 0.000E+00 - 0 0 0 0 >> 253 0.624 0.637 20.174 0 U 1.414E+05 0.000E+00 - 0 0 0 0 >> 254 1.413 0.621 26.845 0 U 1.797E+04 0.000E+00 - 0 0 0 0 >> 255 1.413 1.529 26.845 0 U 1.760E+04 0.000E+00 - 0 0 0 0 >> 256 1.413 1.515 26.845 0 U 1.760E+04 0.000E+00 - 0 0 0 0 >> 257 1.413 0.675 26.845 0 U 1.621E+04 0.000E+00 - 0 0 0 0 >> 258 1.413 1.442 26.845 0 U 4.230E+04 0.000E+00 - 0 0 0 0 >> 259 1.833 1.630 30.607 0 U 3.751E+04 0.000E+00 - 0 0 0 0 >> 260 1.833 1.639 30.607 0 U 3.882E+04 0.000E+00 - 0 0 0 0 >> 261 1.833 3.865 30.607 0 U 5.444E+03 0.000E+00 - 0 0 0 0 >> 262 1.833 2.019 30.607 0 U 2.657E+04 0.000E+00 - 0 0 0 0 >> 263 1.833 1.583 30.607 0 U 1.481E+04 0.000E+00 - 0 0 0 0 >> 264 1.210 3.871 17.737 0 U 2.292E+04 0.000E+00 - 0 0 0 0 >> 265 1.210 7.654 17.737 0 U 1.007E+04 0.000E+00 - 0 0 0 0 >> 266 1.210 7.131 17.737 0 U 1.137E+04 0.000E+00 - 0 0 0 0 >> 267 3.902 3.871 66.485 0 U 6.384E+03 0.000E+00 - 0 0 0 0 >> 268 3.902 1.874 66.485 0 U 3.975E+03 0.000E+00 - 0 0 0 0 >> 269 3.902 1.529 66.485 0 U 5.530E+03 0.000E+00 - 0 0 0 0 >> 270 3.902 2.025 66.485 0 U 5.072E+03 0.000E+00 - 0 0 0 0 >> 271 1.111 2.612 24.798 0 U 3.706E+03 0.000E+00 - 0 0 0 0 >> 272 1.111 1.374 24.798 0 U 1.108E+04 0.000E+00 - 0 0 0 0 >> 274 1.111 1.361 24.798 0 U 1.214E+04 0.000E+00 - 0 0 0 0 >> 275 1.111 1.223 24.798 0 U 1.589E+04 0.000E+00 - 0 0 0 0 >> 277 1.111 1.318 24.798 0 U 1.061E+04 0.000E+00 - 0 0 0 0 >> 278 1.111 1.221 24.798 0 U 1.589E+04 0.000E+00 - 0 0 0 0 >> 279 1.111 3.707 24.798 0 U 2.771E+03 0.000E+00 - 0 0 0 0 >> 280 0.774 1.204 21.884 0 U 8.377E+03 0.000E+00 - 0 0 0 0 >> 282 0.774 0.724 21.884 0 U 8.271E+04 0.000E+00 - 0 0 0 0 >> 283 0.774 2.017 21.884 0 U 1.609E+04 0.000E+00 - 0 0 0 0 >> 284 0.774 1.362 21.884 0 U 6.146E+03 0.000E+00 - 0 0 0 0 >> 285 0.774 1.669 21.884 0 U 4.213E+03 0.000E+00 - 0 0 0 0 >> 286 1.605 1.874 28.192 0 U 6.037E+03 0.000E+00 - 0 0 0 0 >> 287 1.605 1.529 28.192 0 U 3.584E+03 0.000E+00 - 0 0 0 0 >> 288 1.529 1.874 30.788 0 U 4.071E+03 0.000E+00 - 0 0 0 0 >> 289 1.529 0.912 30.788 0 U 1.550E+03 0.000E+00 - 0 0 0 0 >> 290 1.529 1.598 30.788 0 U 1.563E+04 0.000E+00 - 0 0 0 0 >> 291 1.529 1.413 30.788 0 U 4.969E+03 0.000E+00 - 0 0 0 0 >> 292 1.529 3.902 30.788 0 U 4.321E+03 0.000E+00 - 0 0 0 0 >> 293 1.529 1.605 30.788 0 U 1.563E+04 0.000E+00 - 0 0 0 0 >> 294 1.529 1.515 30.788 0 U 1.285E+04 0.000E+00 - 0 0 0 0 >> 295 1.529 2.025 30.788 0 U 4.620E+03 0.000E+00 - 0 0 0 0 >> 296 1.529 1.442 30.788 0 U 5.506E+03 0.000E+00 - 0 0 0 0 >> 297 3.865 3.983 57.345 0 U 1.006E+04 0.000E+00 - 0 0 0 0 >> 298 3.865 1.639 57.345 0 U 6.492E+03 0.000E+00 - 0 0 0 0 >> 299 3.865 1.833 57.345 0 U 9.369E+03 0.000E+00 - 0 0 0 0 >> 300 3.865 7.613 57.345 0 U 5.173E+03 0.000E+00 - 0 0 0 0 >> 301 3.865 7.607 57.345 0 U 5.173E+03 0.000E+00 - 0 0 0 0 >> 302 1.401 0.657 26.940 0 U 1.659E+04 0.000E+00 - 0 0 0 0 >> 303 1.401 0.649 26.940 0 U 1.959E+04 0.000E+00 - 0 0 0 0 >> 304 1.401 0.513 26.940 0 U 6.169E+03 0.000E+00 - 0 0 0 0 >> 305 1.401 1.311 26.940 0 U 3.146E+04 0.000E+00 - 0 0 0 0 >> 307 0.724 3.765 21.541 0 U 6.513E+03 0.000E+00 - 0 0 0 0 >> 308 0.724 0.774 21.541 0 U 1.454E+05 0.000E+00 - 0 0 0 0 >> 309 0.724 2.017 21.541 0 U 1.375E+04 0.000E+00 - 0 0 0 0 >> 310 0.724 1.362 21.541 0 U 2.764E+03 0.000E+00 - 0 0 0 0 >> 311 0.724 1.669 21.541 0 U 3.821E+03 0.000E+00 - 0 0 0 0 >> 312 1.515 0.621 39.611 0 U 4.766E+03 0.000E+00 - 0 0 0 0 >> 313 1.515 1.413 39.611 0 U 7.161E+03 0.000E+00 - 0 0 0 0 >> 314 1.515 1.529 39.611 0 U 7.119E+03 0.000E+00 - 0 0 0 0 >> 315 1.515 0.675 39.611 0 U 5.677E+03 0.000E+00 - 0 0 0 0 >> 316 1.515 1.442 39.611 0 U 8.220E+03 0.000E+00 - 0 0 0 0 >> 317 1.515 4.098 39.611 0 U 3.432E+03 0.000E+00 - 0 0 0 0 >> 318 3.789 3.833 62.669 0 U 2.747E+04 0.000E+00 - 0 0 0 0 >> 319 3.789 3.789 62.669 0 U 3.530E+04 0.000E+00 - 0 0 0 0 >> 320 3.789 0.604 62.669 0 U 8.131E+03 0.000E+00 - 0 0 0 0 >> 321 3.789 0.600 62.669 0 U 8.131E+03 0.000E+00 - 0 0 0 0 >> 322 3.778 1.954 62.491 0 U 4.889E+03 0.000E+00 - 0 0 0 0 >> 323 3.778 1.576 62.491 0 U 5.520E+03 0.000E+00 - 0 0 0 0 >> 324 3.778 0.654 62.491 0 U 8.218E+03 0.000E+00 - 0 0 0 0 >> 325 3.778 0.602 62.491 0 U 7.695E+03 0.000E+00 - 0 0 0 0 >> 326 3.778 0.637 62.491 0 U 8.218E+03 0.000E+00 - 0 0 0 0 >> 327 0.604 2.612 16.312 0 U 4.636E+03 0.000E+00 - 0 0 0 0 >> 328 0.604 1.734 16.312 0 U 1.174E+04 0.000E+00 - 0 0 0 0 >> 329 0.604 3.112 16.312 0 U 4.370E+03 0.000E+00 - 0 0 0 0 >> 330 0.604 0.995 16.312 0 U 1.062E+04 0.000E+00 - 0 0 0 0 >> 331 0.604 3.098 16.312 0 U 4.370E+03 0.000E+00 - 0 0 0 0 >> 332 0.604 3.402 16.312 0 U 5.799E+03 0.000E+00 - 0 0 0 0 >> 333 0.604 1.084 16.312 0 U 6.621E+03 0.000E+00 - 0 0 0 0 >> 334 0.604 0.602 16.312 0 U 1.711E+05 0.000E+00 - 0 0 0 0 >> 335 3.818 3.663 45.759 0 U 6.001E+03 0.000E+00 - 0 0 0 0 >> 336 3.818 7.997 45.759 0 U 3.273E+03 0.000E+00 - 0 0 0 0 >> 337 3.098 3.112 28.935 0 U 3.915E+03 0.000E+00 - 0 0 0 0 >> 338 3.098 4.014 28.935 0 U 3.472E+03 0.000E+00 - 0 0 0 0 >> 339 3.098 0.604 28.935 0 U 2.191E+03 0.000E+00 - 0 0 0 0 >> 340 3.098 3.402 28.935 0 U 3.758E+03 0.000E+00 - 0 0 0 0 >> 341 3.098 7.791 28.935 0 U 2.114E+03 0.000E+00 - 0 0 0 0 >> 342 4.006 4.030 69.979 0 U 2.640E+04 0.000E+00 - 0 0 0 0 >> 343 4.006 4.070 69.979 0 U 2.144E+04 0.000E+00 - 0 0 0 0 >> 344 4.006 1.020 69.979 0 U 1.888E+04 0.000E+00 - 0 0 0 0 >> 345 4.006 3.875 69.979 0 U 9.446E+03 0.000E+00 - 0 0 0 0 >> 346 4.006 1.022 69.979 0 U 1.888E+04 0.000E+00 - 0 0 0 0 >> 347 0.675 0.621 23.793 0 U 1.400E+05 0.000E+00 - 0 0 0 0 >> 348 0.675 1.413 23.793 0 U 2.009E+04 0.000E+00 - 0 0 0 0 >> 349 0.675 1.515 23.793 0 U 1.006E+04 0.000E+00 - 0 0 0 0 >> 350 0.675 1.442 23.793 0 U 1.846E+04 0.000E+00 - 0 0 0 0 >> 351 0.675 4.098 23.793 0 U 7.204E+03 0.000E+00 - 0 0 0 0 >> 365 1.594 3.829 32.322 0 U 3.382E+03 0.000E+00 - 0 0 0 0 >> 366 1.594 3.642 32.322 0 U 4.270E+03 0.000E+00 - 0 0 0 0 >> 367 1.594 2.612 32.322 0 U 2.775E+03 0.000E+00 - 0 0 0 0 >> 368 1.594 1.111 32.322 0 U 6.585E+03 0.000E+00 - 0 0 0 0 >> 369 1.594 1.374 32.322 0 U 1.105E+04 0.000E+00 - 0 0 0 0 >> 370 1.594 1.361 32.322 0 U 1.213E+04 0.000E+00 - 0 0 0 0 >> 372 1.594 1.400 32.322 0 U 8.155E+03 0.000E+00 - 0 0 0 0 >> 373 3.563 3.436 43.701 0 U 1.061E+04 0.000E+00 - 0 0 0 0 >> 374 3.563 3.558 43.701 0 U 9.563E+03 0.000E+00 - 0 0 0 0 >> 375 3.563 3.441 43.701 0 U 1.061E+04 0.000E+00 - 0 0 0 0 >> 376 1.594 0.536 26.191 0 U 6.069E+03 0.000E+00 - 0 0 0 0 >> 377 1.594 8.292 26.191 0 U 1.527E+03 0.000E+00 - 0 0 0 0 >> 378 1.594 3.782 26.191 0 U 1.615E+03 0.000E+00 - 0 0 0 0 >> 379 1.594 1.585 26.191 0 U 1.103E+04 0.000E+00 - 0 0 0 0 >> 380 2.025 1.874 30.788 0 U 3.943E+03 0.000E+00 - 0 0 0 0 >> 381 2.025 3.902 30.788 0 U 3.975E+03 0.000E+00 - 0 0 0 0 >> 382 2.025 1.529 30.788 0 U 6.129E+03 0.000E+00 - 0 0 0 0 >> 383 0.654 1.954 16.930 0 U 3.482E+03 0.000E+00 - 0 0 0 0 >> 384 0.654 1.576 16.930 0 U 1.182E+04 0.000E+00 - 0 0 0 0 >> 385 0.654 3.436 16.930 0 U 5.443E+03 0.000E+00 - 0 0 0 0 >> 386 0.654 3.778 16.930 0 U 5.990E+03 0.000E+00 - 0 0 0 0 >> 387 0.654 3.558 16.930 0 U 2.674E+03 0.000E+00 - 0 0 0 0 >> 388 0.654 0.602 16.930 0 U 1.765E+05 0.000E+00 - 0 0 0 0 >> 389 1.442 0.621 39.611 0 U 5.992E+03 0.000E+00 - 0 0 0 0 >> 390 1.442 3.449 39.611 0 U 2.553E+03 0.000E+00 - 0 0 0 0 >> 391 1.442 1.413 39.611 0 U 1.118E+04 0.000E+00 - 0 0 0 0 >> 392 1.442 1.529 39.611 0 U 7.228E+03 0.000E+00 - 0 0 0 0 >> 393 1.442 1.515 39.611 0 U 7.228E+03 0.000E+00 - 0 0 0 0 >> 394 1.442 0.675 39.611 0 U 5.897E+03 0.000E+00 - 0 0 0 0 >> 395 1.442 4.098 39.611 0 U 3.708E+03 0.000E+00 - 0 0 0 0 >> 396 1.442 3.301 39.611 0 U 1.971E+03 0.000E+00 - 0 0 0 0 >> 397 4.098 0.621 58.803 0 U 1.239E+04 0.000E+00 - 0 0 0 0 >> 398 4.098 1.515 58.803 0 U 4.087E+03 0.000E+00 - 0 0 0 0 >> 399 4.098 0.675 58.803 0 U 1.143E+04 0.000E+00 - 0 0 0 0 >> 400 4.098 1.442 58.803 0 U 5.946E+03 0.000E+00 - 0 0 0 0 >> 401 4.098 4.070 58.803 0 U 6.457E+03 0.000E+00 - 0 0 0 0 >> 402 1.183 1.095 27.964 0 U 1.055E+04 0.000E+00 - 0 0 0 0 >> 403 1.390 3.829 26.760 0 U 2.603E+03 0.000E+00 - 0 0 0 0 >> 404 1.390 3.922 26.760 0 U 1.787E+03 0.000E+00 - 0 0 0 0 >> 405 1.390 1.630 26.760 0 U 4.758E+03 0.000E+00 - 0 0 0 0 >> 406 1.390 1.294 26.760 0 U 1.710E+04 0.000E+00 - 0 0 0 0 >> 407 1.390 1.292 26.760 0 U 1.710E+04 0.000E+00 - 0 0 0 0 >> 408 1.390 2.812 26.760 0 U 4.211E+03 0.000E+00 - 0 0 0 0 >> 409 1.390 1.639 26.760 0 U 3.213E+03 0.000E+00 - 0 0 0 0 >> 411 1.390 1.223 26.760 0 U 5.402E+03 0.000E+00 - 0 0 0 0 >> 412 1.390 1.318 26.760 0 U 2.120E+04 0.000E+00 - 0 0 0 0 >> 413 1.390 1.400 26.760 0 U 2.333E+04 0.000E+00 - 0 0 0 0 >> 414 1.390 2.795 26.760 0 U 4.211E+03 0.000E+00 - 0 0 0 0 >> 415 1.390 1.494 26.760 0 U 1.002E+04 0.000E+00 - 0 0 0 0 >> 416 1.390 1.221 26.760 0 U 5.402E+03 0.000E+00 - 0 0 0 0 >> 417 1.235 0.536 41.878 0 U 8.707E+03 0.000E+00 - 0 0 0 0 >> 418 1.235 1.093 41.878 0 U 2.002E+03 0.000E+00 - 0 0 0 0 >> 419 1.235 1.362 41.878 0 U 3.000E+02 0.000E+00 - 0 0 0 0 >> 420 1.235 3.782 41.878 0 U 4.429E+03 0.000E+00 - 0 0 0 0 >> 421 1.235 1.669 41.878 0 U 2.378E+03 0.000E+00 - 0 0 0 0 >> 422 1.235 1.585 41.878 0 U 8.842E+03 0.000E+00 - 0 0 0 0 >> 423 1.361 3.829 29.102 0 U 3.542E+03 0.000E+00 - 0 0 0 0 >> 424 1.361 3.642 29.102 0 U 2.400E+03 0.000E+00 - 0 0 0 0 >> 425 1.361 2.612 29.102 0 U 1.013E+04 0.000E+00 - 0 0 0 0 >> 426 1.361 1.294 29.102 0 U 6.019E+04 0.000E+00 - 0 0 0 0 >> 427 1.361 1.111 29.102 0 U 1.305E+04 0.000E+00 - 0 0 0 0 >> 429 1.361 1.594 29.102 0 U 4.728E+03 0.000E+00 - 0 0 0 0 >> 430 1.361 1.223 29.102 0 U 2.090E+04 0.000E+00 - 0 0 0 0 >> 431 1.361 1.374 29.102 0 U 9.603E+04 0.000E+00 - 0 0 0 0 >> 433 1.361 1.318 29.102 0 U 9.075E+04 0.000E+00 - 0 0 0 0 >> 434 1.361 1.400 29.102 0 U 6.270E+04 0.000E+00 - 0 0 0 0 >> 435 1.361 1.221 29.102 0 U 2.090E+04 0.000E+00 - 0 0 0 0 >> 436 1.093 3.671 25.221 0 U 4.231E+03 0.000E+00 - 0 0 0 0 >> 437 1.093 1.235 25.221 0 U 1.480E+04 0.000E+00 - 0 0 0 0 >> 438 1.093 1.206 25.221 0 U 1.687E+04 0.000E+00 - 0 0 0 0 >> 439 1.093 1.362 25.221 0 U 2.083E+04 0.000E+00 - 0 0 0 0 >> 440 1.093 1.669 25.221 0 U 5.427E+03 0.000E+00 - 0 0 0 0 >> 441 1.223 1.294 31.461 0 U 6.826E+03 0.000E+00 - 0 0 0 0 >> 442 1.223 7.802 31.461 0 U 2.493E+03 0.000E+00 - 0 0 0 0 >> 443 1.223 1.292 31.461 0 U 6.826E+03 0.000E+00 - 0 0 0 0 >> 444 1.223 1.111 31.461 0 U 2.772E+03 0.000E+00 - 0 0 0 0 >> 446 1.223 1.390 31.461 0 U 2.597E+03 0.000E+00 - 0 0 0 0 >> 447 1.223 1.361 31.461 0 U 4.348E+03 0.000E+00 - 0 0 0 0 >> 448 1.223 1.318 31.461 0 U 5.847E+03 0.000E+00 - 0 0 0 0 >> 449 1.223 1.221 31.461 0 U 7.073E+03 0.000E+00 - 0 0 0 0 >> 450 1.223 7.778 31.461 0 U 2.432E+03 0.000E+00 - 0 0 0 0 >> 451 1.223 3.707 31.461 0 U 3.208E+03 0.000E+00 - 0 0 0 0 >> 452 1.758 0.657 41.798 0 U 5.656E+03 0.000E+00 - 0 0 0 0 >> 453 1.758 1.734 41.798 0 U 3.611E+03 0.000E+00 - 0 0 0 0 >> 454 1.758 0.649 41.798 0 U 7.002E+03 0.000E+00 - 0 0 0 0 >> 455 1.758 7.654 41.798 0 U 2.918E+03 0.000E+00 - 0 0 0 0 >> 456 1.758 1.311 41.798 0 U 4.863E+03 0.000E+00 - 0 0 0 0 >> 457 2.091 1.873 33.764 0 U 1.667E+04 0.000E+00 - 0 0 0 0 >> 458 2.091 3.983 33.764 0 U 5.533E+03 0.000E+00 - 0 0 0 0 >> 459 2.091 1.778 33.764 0 U 1.515E+04 0.000E+00 - 0 0 0 0 >> 460 2.091 7.613 33.764 0 U 3.557E+03 0.000E+00 - 0 0 0 0 >> 461 1.206 0.564 41.627 0 U 1.308E+04 0.000E+00 - 0 0 0 0 >> 462 1.206 1.204 41.627 0 U 9.756E+03 0.000E+00 - 0 0 0 0 >> 463 1.206 3.765 41.627 0 U 5.941E+03 0.000E+00 - 0 0 0 0 >> 464 1.206 1.560 41.627 0 U 1.306E+04 0.000E+00 - 0 0 0 0 >> 465 1.206 0.556 41.627 0 U 1.308E+04 0.000E+00 - 0 0 0 0 >> 466 1.206 0.624 41.627 0 U 7.876E+03 0.000E+00 - 0 0 0 0 >> 467 1.206 1.093 41.627 0 U 3.311E+03 0.000E+00 - 0 0 0 0 >> 468 1.206 1.514 41.627 0 U 1.147E+04 0.000E+00 - 0 0 0 0 >> 469 1.206 1.669 41.627 0 U 3.820E+02 0.000E+00 - 0 0 0 0 >> 470 1.206 0.637 41.627 0 U 4.693E+03 0.000E+00 - 0 0 0 0 >> 471 2.017 0.564 31.612 0 U 4.830E+03 0.000E+00 - 0 0 0 0 >> 473 2.017 0.556 31.612 0 U 4.830E+03 0.000E+00 - 0 0 0 0 >> 474 2.017 0.536 31.612 0 U 2.375E+03 0.000E+00 - 0 0 0 0 >> 475 2.017 8.292 31.612 0 U 2.924E+03 0.000E+00 - 0 0 0 0 >> 476 2.017 0.774 31.612 0 U 1.044E+04 0.000E+00 - 0 0 0 0 >> 477 2.017 0.724 31.612 0 U 8.848E+03 0.000E+00 - 0 0 0 0 >> 478 2.017 7.578 31.612 0 U 4.820E+03 0.000E+00 - 0 0 0 0 >> 479 3.301 3.449 49.822 0 U 3.108E+03 0.000E+00 - 0 0 0 0 >> 480 3.301 8.109 49.822 0 U 1.673E+03 0.000E+00 - 0 0 0 0 >> 481 3.301 1.442 49.822 0 U 3.201E+03 0.000E+00 - 0 0 0 0 >> 482 1.374 3.642 25.686 0 U 2.222E+03 0.000E+00 - 0 0 0 0 >> 483 1.374 1.294 25.686 0 U 1.046E+04 0.000E+00 - 0 0 0 0 >> 484 1.374 1.111 25.686 0 U 5.298E+03 0.000E+00 - 0 0 0 0 >> 485 1.374 1.374 25.686 0 U 1.435E+04 0.000E+00 - 0 0 0 0 >> 487 1.374 1.594 25.686 0 U 4.858E+03 0.000E+00 - 0 0 0 0 >> 488 1.374 1.361 25.686 0 U 1.561E+04 0.000E+00 - 0 0 0 0 >> 489 1.374 1.318 25.686 0 U 1.402E+04 0.000E+00 - 0 0 0 0 >> 490 1.374 1.400 25.686 0 U 1.088E+04 0.000E+00 - 0 0 0 0 >> 491 3.959 3.871 58.213 0 U 5.231E+03 0.000E+00 - 0 0 0 0 >> 492 3.959 0.657 58.213 0 U 7.861E+03 0.000E+00 - 0 0 0 0 >> 493 3.959 0.649 58.213 0 U 8.929E+03 0.000E+00 - 0 0 0 0 >> 494 3.959 0.600 58.213 0 U 8.295E+03 0.000E+00 - 0 0 0 0 >> 495 0.513 0.912 11.572 0 U 1.121E+04 0.000E+00 - 0 0 0 0 >> 496 0.513 1.598 11.572 0 U 9.339E+03 0.000E+00 - 0 0 0 0 >> 497 0.513 1.401 11.572 0 U 1.291E+04 0.000E+00 - 0 0 0 0 >> 498 0.513 0.600 11.572 0 U 5.563E+04 0.000E+00 - 0 0 0 0 >> 499 0.513 1.311 11.572 0 U 9.505E+03 0.000E+00 - 0 0 0 0 >> 500 1.514 0.564 26.525 0 U 1.603E+04 0.000E+00 - 0 0 0 0 >> 501 1.514 1.560 26.525 0 U 1.416E+04 0.000E+00 - 0 0 0 0 >> 502 1.514 0.556 26.525 0 U 1.603E+04 0.000E+00 - 0 0 0 0 >> 503 1.514 0.624 26.525 0 U 1.201E+04 0.000E+00 - 0 0 0 0 >> 504 1.514 8.083 26.525 0 U 3.809E+03 0.000E+00 - 0 0 0 0 >> 505 1.514 1.206 26.525 0 U 5.194E+03 0.000E+00 - 0 0 0 0 >> 506 1.514 0.637 26.525 0 U 8.257E+03 0.000E+00 - 0 0 0 0 >> 513 3.402 0.604 28.935 0 U 2.988E+03 0.000E+00 - 0 0 0 0 >> 514 3.402 3.098 28.935 0 U 4.373E+03 0.000E+00 - 0 0 0 0 >> 515 1.318 1.294 31.461 0 U 5.794E+03 0.000E+00 - 0 0 0 0 >> 516 1.318 7.802 31.461 0 U 2.207E+03 0.000E+00 - 0 0 0 0 >> 517 1.318 1.292 31.461 0 U 5.794E+03 0.000E+00 - 0 0 0 0 >> 518 1.318 1.111 31.461 0 U 2.222E+03 0.000E+00 - 0 0 0 0 >> 519 1.318 1.374 31.461 0 U 2.928E+03 0.000E+00 - 0 0 0 0 >> 521 1.318 1.390 31.461 0 U 2.928E+03 0.000E+00 - 0 0 0 0 >> 522 1.318 1.361 31.461 0 U 4.064E+03 0.000E+00 - 0 0 0 0 >> 523 1.318 1.223 31.461 0 U 5.818E+03 0.000E+00 - 0 0 0 0 >> 524 1.318 1.400 31.461 0 U 1.928E+03 0.000E+00 - 0 0 0 0 >> 525 1.318 1.221 31.461 0 U 5.818E+03 0.000E+00 - 0 0 0 0 >> 526 1.318 3.707 31.461 0 U 1.442E+03 0.000E+00 - 0 0 0 0 >> 527 1.400 3.829 27.150 0 U 5.592E+03 0.000E+00 - 0 0 0 0 >> 528 1.400 3.922 27.150 0 U 5.731E+03 0.000E+00 - 0 0 0 0 >> 529 1.400 1.294 27.150 0 U 2.686E+04 0.000E+00 - 0 0 0 0 >> 530 1.400 7.802 27.150 0 U 2.936E+03 0.000E+00 - 0 0 0 0 >> 531 1.400 1.292 27.150 0 U 2.686E+04 0.000E+00 - 0 0 0 0 >> 532 1.400 1.594 27.150 0 U 1.226E+04 0.000E+00 - 0 0 0 0 >> 533 1.400 1.390 27.150 0 U 4.138E+04 0.000E+00 - 0 0 0 0 >> 534 1.400 1.361 27.150 0 U 3.667E+04 0.000E+00 - 0 0 0 0 >> 535 1.400 1.374 27.150 0 U 4.138E+04 0.000E+00 - 0 0 0 0 >> 536 1.400 1.318 27.150 0 U 3.146E+04 0.000E+00 - 0 0 0 0 >> 537 1.400 2.795 27.150 0 U 9.566E+03 0.000E+00 - 0 0 0 0 >> 538 1.400 7.778 27.150 0 U 3.574E+03 0.000E+00 - 0 0 0 0 >> 539 1.084 0.995 28.225 0 U 1.576E+04 0.000E+00 - 0 0 0 0 >> 540 1.084 0.604 28.225 0 U 3.208E+03 0.000E+00 - 0 0 0 0 >> 541 1.084 7.791 28.225 0 U 2.269E+03 0.000E+00 - 0 0 0 0 >> 542 1.084 0.602 28.225 0 U 3.208E+03 0.000E+00 - 0 0 0 0 >> 543 4.070 4.030 64.075 0 U 2.494E+04 0.000E+00 - 0 0 0 0 >> 544 4.070 4.006 64.075 0 U 1.893E+04 0.000E+00 - 0 0 0 0 >> 545 4.070 4.098 64.075 0 U 2.270E+04 0.000E+00 - 0 0 0 0 >> 546 4.070 1.020 64.075 0 U 6.456E+03 0.000E+00 - 0 0 0 0 >> 547 4.070 1.022 64.075 0 U 6.456E+03 0.000E+00 - 0 0 0 0 >> 548 2.795 3.829 43.008 0 U 3.916E+03 0.000E+00 - 0 0 0 0 >> 549 2.795 1.294 43.008 0 U 1.373E+04 0.000E+00 - 0 0 0 0 >> 550 2.795 1.292 43.008 0 U 1.373E+04 0.000E+00 - 0 0 0 0 >> 551 2.795 2.812 43.008 0 U 1.405E+05 0.000E+00 - 0 0 0 0 >> 552 2.795 1.390 43.008 0 U 1.474E+04 0.000E+00 - 0 0 0 0 >> 553 2.795 1.400 43.008 0 U 1.378E+04 0.000E+00 - 0 0 0 0 >> 554 1.362 0.564 29.084 0 U 9.022E+03 0.000E+00 - 0 0 0 0 >> 555 1.362 7.739 29.084 0 U 1.549E+03 0.000E+00 - 0 0 0 0 >> 556 1.362 3.671 29.084 0 U 2.270E+03 0.000E+00 - 0 0 0 0 >> 557 1.362 0.556 29.084 0 U 9.022E+03 0.000E+00 - 0 0 0 0 >> 558 1.362 0.774 29.084 0 U 3.447E+03 0.000E+00 - 0 0 0 0 >> 559 1.362 0.724 29.084 0 U 3.853E+03 0.000E+00 - 0 0 0 0 >> 560 1.362 1.235 29.084 0 U 2.286E+04 0.000E+00 - 0 0 0 0 >> 561 1.362 1.093 29.084 0 U 1.305E+04 0.000E+00 - 0 0 0 0 >> 562 1.362 3.782 29.084 0 U 2.563E+03 0.000E+00 - 0 0 0 0 >> 563 1.362 1.669 29.084 0 U 7.091E+03 0.000E+00 - 0 0 0 0 >> 564 1.494 3.922 30.135 0 U 3.560E+03 0.000E+00 - 0 0 0 0 >> 565 1.494 1.630 30.135 0 U 1.148E+04 0.000E+00 - 0 0 0 0 >> 566 1.494 1.292 30.135 0 U 4.981E+03 0.000E+00 - 0 0 0 0 >> 567 1.494 2.812 30.135 0 U 2.925E+03 0.000E+00 - 0 0 0 0 >> 568 1.494 1.390 30.135 0 U 5.711E+03 0.000E+00 - 0 0 0 0 >> 569 1.494 7.778 30.135 0 U 2.232E+03 0.000E+00 - 0 0 0 0 >> 570 0.600 0.657 16.379 0 U 9.727E+04 0.000E+00 - 0 0 0 0 >> 571 0.600 0.649 16.379 0 U 1.478E+05 0.000E+00 - 0 0 0 0 >> 572 0.600 0.912 16.379 0 U 1.354E+04 0.000E+00 - 0 0 0 0 >> 573 0.600 7.654 16.379 0 U 3.458E+03 0.000E+00 - 0 0 0 0 >> 574 0.600 1.598 16.379 0 U 1.448E+04 0.000E+00 - 0 0 0 0 >> 575 0.600 3.789 16.379 0 U 3.125E+03 0.000E+00 - 0 0 0 0 >> 576 0.600 3.959 16.379 0 U 3.915E+03 0.000E+00 - 0 0 0 0 >> 577 0.600 0.513 16.379 0 U 3.021E+04 0.000E+00 - 0 0 0 0 >> 578 0.600 8.353 16.379 0 U 4.418E+03 0.000E+00 - 0 0 0 0 >> 580 0.600 1.311 16.379 0 U 1.278E+04 0.000E+00 - 0 0 0 0 >> 581 3.782 0.536 57.983 0 U 1.971E+04 0.000E+00 - 0 0 0 0 >> 582 3.782 1.594 57.983 0 U 1.169E+04 0.000E+00 - 0 0 0 0 >> 583 3.782 1.235 57.983 0 U 7.942E+03 0.000E+00 - 0 0 0 0 >> 584 3.782 1.362 57.983 0 U 4.539E+03 0.000E+00 - 0 0 0 0 >> 585 3.782 1.585 57.983 0 U 1.169E+04 0.000E+00 - 0 0 0 0 >> 586 3.782 3.875 57.983 0 U 1.424E+04 0.000E+00 - 0 0 0 0 >> 587 1.669 0.564 31.958 0 U 1.886E+03 0.000E+00 - 0 0 0 0 >> 588 1.669 7.739 31.958 0 U 8.086E+03 0.000E+00 - 0 0 0 0 >> 589 1.669 3.671 31.958 0 U 6.682E+03 0.000E+00 - 0 0 0 0 >> 590 1.669 0.556 31.958 0 U 1.886E+03 0.000E+00 - 0 0 0 0 >> 591 1.669 3.828 31.958 0 U 5.018E+03 0.000E+00 - 0 0 0 0 >> 592 1.669 0.774 31.958 0 U 3.127E+03 0.000E+00 - 0 0 0 0 >> 593 1.669 0.724 31.958 0 U 2.708E+03 0.000E+00 - 0 0 0 0 >> 594 1.669 1.235 31.958 0 U 7.017E+03 0.000E+00 - 0 0 0 0 >> 595 1.669 1.093 31.958 0 U 8.427E+03 0.000E+00 - 0 0 0 0 >> 596 1.669 1.206 31.958 0 U 8.547E+03 0.000E+00 - 0 0 0 0 >> 597 1.669 7.578 31.958 0 U 4.821E+03 0.000E+00 - 0 0 0 0 >> 598 1.669 1.362 31.958 0 U 8.068E+03 0.000E+00 - 0 0 0 0 >> 599 1.020 4.030 21.098 0 U 3.324E+04 0.000E+00 - 0 0 0 0 >> 600 1.020 4.006 21.098 0 U 3.061E+04 0.000E+00 - 0 0 0 0 >> 601 1.020 4.070 21.098 0 U 2.917E+04 0.000E+00 - 0 0 0 0 >> 602 1.020 3.875 21.098 0 U 1.841E+04 0.000E+00 - 0 0 0 0 >> 603 1.020 1.022 21.098 0 U 2.652E+05 0.000E+00 - 0 0 0 0 >> 604 2.019 1.630 34.162 0 U 1.582E+04 0.000E+00 - 0 0 0 0 >> 605 2.019 1.639 34.162 0 U 1.633E+04 0.000E+00 - 0 0 0 0 >> 606 2.019 1.833 34.162 0 U 4.070E+04 0.000E+00 - 0 0 0 0 >> 607 2.019 7.613 34.162 0 U 5.000E+03 0.000E+00 - 0 0 0 0 >> 608 1.221 1.292 24.798 0 U 7.222E+03 0.000E+00 - 0 0 0 0 >> 609 1.221 1.111 24.798 0 U 1.107E+04 0.000E+00 - 0 0 0 0 >> 611 1.221 1.390 24.798 0 U 7.130E+03 0.000E+00 - 0 0 0 0 >> 612 1.221 1.361 24.798 0 U 7.834E+03 0.000E+00 - 0 0 0 0 >> 613 1.221 1.223 24.798 0 U 1.662E+04 0.000E+00 - 0 0 0 0 >> 615 1.221 1.318 24.798 0 U 7.172E+03 0.000E+00 - 0 0 0 0 >> 616 3.558 3.436 46.954 0 U 1.160E+04 0.000E+00 - 0 0 0 0 >> 617 3.558 3.563 46.954 0 U 1.219E+04 0.000E+00 - 0 0 0 0 >> 618 3.558 8.564 46.954 0 U 4.649E+03 0.000E+00 - 0 0 0 0 >> 619 3.558 0.654 46.954 0 U 3.894E+03 0.000E+00 - 0 0 0 0 >> 620 3.558 3.441 46.954 0 U 1.160E+04 0.000E+00 - 0 0 0 0 >> 621 1.311 0.657 41.798 0 U 4.807E+03 0.000E+00 - 0 0 0 0 >> 622 1.311 0.649 41.798 0 U 6.039E+03 0.000E+00 - 0 0 0 0 >> 623 1.311 1.401 41.798 0 U 2.816E+03 0.000E+00 - 0 0 0 0 >> 624 1.311 1.758 41.798 0 U 2.914E+03 0.000E+00 - 0 0 0 0 >> 625 1.311 0.513 41.798 0 U 1.211E+03 0.000E+00 - 0 0 0 0 >> 626 1.311 0.600 41.798 0 U 6.682E+03 0.000E+00 - 0 0 0 0 >> 627 1.585 0.536 41.878 0 U 8.732E+03 0.000E+00 - 0 0 0 0 >> 628 1.585 1.594 41.878 0 U 1.121E+04 0.000E+00 - 0 0 0 0 >> 629 1.585 1.235 41.878 0 U 6.881E+03 0.000E+00 - 0 0 0 0 >> 630 1.585 3.782 41.878 0 U 3.166E+03 0.000E+00 - 0 0 0 0 >> 631 3.707 7.802 56.978 0 U 5.987E+03 0.000E+00 - 0 0 0 0 >> 632 3.707 1.111 56.978 0 U 5.321E+03 0.000E+00 - 0 0 0 0 >> 633 3.707 1.223 56.978 0 U 6.837E+03 0.000E+00 - 0 0 0 0 >> 634 3.707 1.318 56.978 0 U 6.661E+03 0.000E+00 - 0 0 0 0 >> 635 3.707 7.778 56.978 0 U 6.656E+03 0.000E+00 - 0 0 0 0 >> 636 3.875 4.030 64.204 0 U 6.189E+03 0.000E+00 - 0 0 0 0 >> 637 3.875 4.006 64.204 0 U 5.261E+03 0.000E+00 - 0 0 0 0 >> 638 3.875 3.782 64.204 0 U 4.593E+03 0.000E+00 - 0 0 0 0 >> 639 3.875 1.020 64.204 0 U 6.670E+03 0.000E+00 - 0 0 0 0 >> 640 3.875 1.022 64.204 0 U 6.670E+03 0.000E+00 - 0 0 0 0 >> 641 3.441 3.436 43.701 0 U 1.404E+04 0.000E+00 - 0 0 0 0 >> 642 3.441 3.563 43.701 0 U 1.132E+04 0.000E+00 - 0 0 0 0 >> 643 3.441 3.558 43.701 0 U 1.132E+04 0.000E+00 - 0 0 0 0 >> 644 0.602 1.954 12.776 0 U 6.730E+03 0.000E+00 - 0 0 0 0 >> 645 0.602 1.576 12.776 0 U 7.249E+03 0.000E+00 - 0 0 0 0 >> 646 0.602 3.778 12.776 0 U 5.061E+03 0.000E+00 - 0 0 0 0 >> 647 0.602 0.654 12.776 0 U 2.877E+05 0.000E+00 - 0 0 0 0 >> 648 1.022 4.030 20.702 0 U 1.910E+04 0.000E+00 - 0 0 0 0 >> 649 1.022 4.006 20.702 0 U 1.847E+04 0.000E+00 - 0 0 0 0 >> 650 1.022 4.070 20.702 0 U 1.595E+04 0.000E+00 - 0 0 0 0 >> 651 1.022 1.020 20.702 0 U 1.541E+05 0.000E+00 - 0 0 0 0 >> 652 1.022 3.875 20.702 0 U 1.049E+04 0.000E+00 - 0 0 0 0 >> 653 1.095 1.183 27.964 0 U 1.696E+04 0.000E+00 - 0 0 0 0 >> 654 1.583 3.829 29.999 0 U 5.912E+03 0.000E+00 - 0 0 0 0 >> 655 1.583 1.833 29.999 0 U 5.334E+03 0.000E+00 - 0 0 0 0 >> 656 1.583 7.387 29.999 0 U 2.665E+03 0.000E+00 - 0 0 0 0 >> 657 1.583 7.778 29.999 0 U 3.344E+03 0.000E+00 - 0 0 0 0 >> 658 0.637 1.954 20.417 0 U 1.635E+04 0.000E+00 - 0 0 0 0 >> 659 0.637 0.564 20.417 0 U 5.593E+04 0.000E+00 - 0 0 0 0 >> 660 0.637 1.204 20.417 0 U 6.162E+03 0.000E+00 - 0 0 0 0 >> 661 0.637 3.765 20.417 0 U 5.608E+03 0.000E+00 - 0 0 0 0 >> 663 0.637 1.560 20.417 0 U 7.997E+03 0.000E+00 - 0 0 0 0 >> 664 0.637 0.556 20.417 0 U 5.593E+04 0.000E+00 - 0 0 0 0 >> 665 0.637 0.624 20.417 0 U 1.657E+05 0.000E+00 - 0 0 0 0 >> 666 0.637 3.778 20.417 0 U 6.701E+03 0.000E+00 - 0 0 0 0 >> 667 0.637 1.206 20.417 0 U 6.162E+03 0.000E+00 - 0 0 0 0 >> 668 0.637 1.514 20.417 0 U 5.132E+03 0.000E+00 - 0 0 0 0 >> 669 0.602 1.734 12.466 0 U 8.517E+03 0.000E+00 - 0 0 0 0 >> 670 0.602 3.112 12.466 0 U 2.170E+03 0.000E+00 - 0 0 0 0 >> 671 0.602 0.995 12.466 0 U 1.580E+04 0.000E+00 - 0 0 0 0 >> 672 0.602 0.604 12.466 0 U 3.099E+05 0.000E+00 - 0 0 0 0 >> 673 0.602 1.084 12.466 0 U 6.927E+03 0.000E+00 - 0 0 0 0 >> 674 3.663 3.782 45.759 0 U 7.786E+03 0.000E+00 - 0 0 0 0 >> 675 3.663 4.063 45.759 0 U 3.492E+03 0.000E+00 - 0 0 0 0 >> 676 3.818 4.063 45.759 0 U 3.055E+03 0.000E+00 - 0 0 0 0 >> 677 4.098 3.461 58.803 0 U 2.129E+03 0.000E+00 - 0 0 0 0 >> 678 3.301 4.098 49.822 0 U 1.560E+03 0.000E+00 - 0 0 0 0 >> 679 3.449 4.098 49.822 0 U 2.447E+03 0.000E+00 - 0 0 0 0 >> 680 2.612 1.362 41.844 0 U 2.981E+04 0.000E+00 - 0 0 0 0 >> 681 2.501 2.406 41.568 0 U 3.669E+04 0.000E+00 - 0 0 0 0 >> 682 2.406 2.501 41.568 0 U 2.999E+04 0.000E+00 - 0 0 0 0 >> 683 2.612 1.093 41.844 0 U 9.154E+03 0.000E+00 - 0 0 0 0 >> 684 3.902 7.701 66.485 0 U 2.507E+03 0.000E+00 - 0 0 0 0 >> 685 1.088 2.406 28.261 0 U 4.761E+03 0.000E+00 - 0 0 0 0 >> 686 1.088 1.111 28.261 0 U 6.595E+04 0.000E+00 - 0 0 0 0 >> 687 1.088 3.707 28.261 0 U 3.810E+03 0.000E+00 - 0 0 0 0 >> 688 1.088 1.223 28.261 0 U 9.387E+03 0.000E+00 - 0 0 0 0 >> 689 1.088 1.318 28.261 0 U 4.659E+03 0.000E+00 - 0 0 0 0 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 H . . 13.9518 ppm . . . 4.701 . . 30481 1 >> 2 . . C 13 C-aliphatic . . 74.9999 ppm . . . 44.000 . . 30481 1 >> 3 . . H 1 H . . 14.0000 ppm . . . 4.701 . . 30481 1 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_2 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-15N NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H HN 2 N N 3 H H stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_2 _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 30481 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 2 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 >> _Spectral_peak_list.Experiment_ID 1 >> _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _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 3 >># FORMAT xeasy3D >># INAME 1 HN >># INAME 2 H >># INAME 3 N >># SPECTRUM N15NOESY HN H N >> 677 8.353 3.959 117.822 0 U 7.130E+02 0.000E+00 - 0 0 0 0 >> 678 8.353 1.401 117.822 0 U 1.453E+03 0.000E+00 - 0 0 0 0 >> 679 8.353 1.311 117.822 0 U 2.025E+03 0.000E+00 - 0 0 0 0 >> 680 8.353 0.657 117.822 0 U 1.401E+03 0.000E+00 - 0 0 0 0 >> 681 8.353 3.402 117.822 0 U 9.720E+02 0.000E+00 - 0 0 0 0 >> 682 8.353 3.833 117.822 0 U 1.215E+03 0.000E+00 - 0 0 0 0 >> 683 8.353 1.758 117.822 0 U 9.160E+02 0.000E+00 - 0 0 0 0 >> 684 8.353 0.649 117.822 0 U 1.401E+03 0.000E+00 - 0 0 0 0 >> 685 8.353 7.654 117.822 0 U 1.255E+03 0.000E+00 - 0 0 0 0 >> 686 8.353 0.600 117.822 0 U 3.228E+03 0.000E+00 - 0 0 0 0 >> 687 8.353 3.789 117.822 0 U 9.120E+02 0.000E+00 - 0 0 0 0 >> 688 8.353 7.709 117.822 0 U 8.330E+02 0.000E+00 - 0 0 0 0 >> 689 7.791 3.959 122.831 0 U 2.296E+03 0.000E+00 - 0 0 0 0 >> 690 7.791 3.385 122.831 0 U 1.977E+03 0.000E+00 - 0 0 0 0 >> 691 7.791 0.657 122.831 0 U 6.910E+02 0.000E+00 - 0 0 0 0 >> 692 7.791 8.512 122.831 0 U 1.108E+03 0.000E+00 - 0 0 0 0 >> 693 7.791 3.402 122.831 0 U 1.977E+03 0.000E+00 - 0 0 0 0 >> 694 7.791 0.649 122.831 0 U 6.910E+02 0.000E+00 - 0 0 0 0 >> 695 7.791 7.654 122.831 0 U 2.058E+03 0.000E+00 - 0 0 0 0 >> 696 7.791 0.600 122.831 0 U 1.349E+03 0.000E+00 - 0 0 0 0 >> 697 7.791 4.014 122.831 0 U 2.296E+03 0.000E+00 - 0 0 0 0 >> 698 7.791 1.598 122.831 0 U 6.050E+02 0.000E+00 - 0 0 0 0 >> 699 7.791 0.513 122.831 0 U 8.080E+02 0.000E+00 - 0 0 0 0 >> 700 7.791 7.709 122.831 0 U 3.776E+03 0.000E+00 - 0 0 0 0 >> 701 7.791 3.789 122.831 0 U 1.388E+03 0.000E+00 - 0 0 0 0 >> 702 7.791 3.098 122.831 0 U 1.372E+03 0.000E+00 - 0 0 0 0 >> 703 7.628 0.556 122.773 0 U 1.237E+03 0.000E+00 - 0 0 0 0 >> 704 7.628 3.828 122.773 0 U 1.008E+03 0.000E+00 - 0 0 0 0 >> 705 7.628 0.654 122.773 0 U 1.060E+03 0.000E+00 - 0 0 0 0 >> 706 7.628 1.183 122.773 0 U 3.837E+03 0.000E+00 - 0 0 0 0 >> 707 7.628 1.576 122.773 0 U 6.090E+02 0.000E+00 - 0 0 0 0 >> 708 7.628 1.514 122.773 0 U 6.090E+02 0.000E+00 - 0 0 0 0 >> 709 7.628 3.289 122.773 0 U 5.920E+02 0.000E+00 - 0 0 0 0 >> 710 7.628 3.765 122.773 0 U 2.107E+03 0.000E+00 - 0 0 0 0 >> 711 7.628 3.558 122.773 0 U 8.110E+02 0.000E+00 - 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0 0 0 0 >> 899 7.177 0.724 117.444 0 U 4.498E+03 0.000E+00 - 0 0 0 0 >> 900 7.177 7.628 117.444 0 U 1.161E+03 0.000E+00 - 0 0 0 0 >> 901 7.177 1.183 117.444 0 U 2.093E+03 0.000E+00 - 0 0 0 0 >> 902 7.177 1.576 117.444 0 U 6.640E+02 0.000E+00 - 0 0 0 0 >> 903 7.177 1.514 117.444 0 U 6.640E+02 0.000E+00 - 0 0 0 0 >> 904 7.177 3.289 117.444 0 U 1.779E+03 0.000E+00 - 0 0 0 0 >> 905 7.177 3.765 117.444 0 U 1.593E+03 0.000E+00 - 0 0 0 0 >> 906 7.177 3.558 117.444 0 U 6.960E+02 0.000E+00 - 0 0 0 0 >> 907 7.177 3.436 117.444 0 U 8.130E+02 0.000E+00 - 0 0 0 0 >> 908 7.177 0.637 117.444 0 U 4.017E+03 0.000E+00 - 0 0 0 0 >> 909 7.177 0.624 117.444 0 U 4.017E+03 0.000E+00 - 0 0 0 0 >> 910 7.177 0.564 117.444 0 U 4.017E+03 0.000E+00 - 0 0 0 0 >> 911 7.177 1.204 117.444 0 U 1.312E+03 0.000E+00 - 0 0 0 0 >> 912 7.177 1.560 117.444 0 U 6.640E+02 0.000E+00 - 0 0 0 0 >> 913 7.177 0.602 117.444 0 U 4.017E+03 0.000E+00 - 0 0 0 0 >> 914 7.177 3.778 117.444 0 U 1.593E+03 0.000E+00 - 0 0 0 0 >> 915 7.177 1.954 117.444 0 U 1.742E+03 0.000E+00 - 0 0 0 0 >> 916 7.177 8.083 117.444 0 U 1.043E+03 0.000E+00 - 0 0 0 0 >> 917 7.607 3.922 124.767 0 U 6.359E+03 0.000E+00 - 0 0 0 0 >> 918 7.607 1.639 124.767 0 U 3.124E+03 0.000E+00 - 0 0 0 0 >> 919 7.607 2.019 124.767 0 U 2.588E+03 0.000E+00 - 0 0 0 0 >> 920 7.607 3.983 124.767 0 U 6.359E+03 0.000E+00 - 0 0 0 0 >> 921 7.607 2.091 124.767 0 U 1.354E+03 0.000E+00 - 0 0 0 0 >> 922 7.607 7.613 124.767 0 U 2.672E+04 0.000E+00 - 0 0 0 0 >> 923 7.607 1.400 124.767 0 U 1.121E+03 0.000E+00 - 0 0 0 0 >> 924 7.607 1.778 124.767 0 U 3.034E+03 0.000E+00 - 0 0 0 0 >> 925 7.607 3.829 124.767 0 U 6.968E+03 0.000E+00 - 0 0 0 0 >> 926 7.607 1.223 124.767 0 U 1.246E+03 0.000E+00 - 0 0 0 0 >> 927 7.607 1.833 124.767 0 U 3.034E+03 0.000E+00 - 0 0 0 0 >> 928 7.607 3.865 124.767 0 U 6.968E+03 0.000E+00 - 0 0 0 0 >> 929 7.607 1.390 124.767 0 U 1.121E+03 0.000E+00 - 0 0 0 0 >> 930 7.607 1.292 124.767 0 U 1.246E+03 0.000E+00 - 0 0 0 0 >> 931 8.292 3.782 118.727 0 U 2.140E+03 0.000E+00 - 0 0 0 0 >> 932 8.292 0.774 118.727 0 U 1.045E+03 0.000E+00 - 0 0 0 0 >> 933 8.292 0.556 118.727 0 U 2.551E+03 0.000E+00 - 0 0 0 0 >> 934 8.292 1.206 118.727 0 U 1.442E+03 0.000E+00 - 0 0 0 0 >> 935 8.292 0.724 118.727 0 U 1.671E+03 0.000E+00 - 0 0 0 0 >> 936 8.292 1.235 118.727 0 U 1.442E+03 0.000E+00 - 0 0 0 0 >> 937 8.292 1.514 118.727 0 U 2.804E+03 0.000E+00 - 0 0 0 0 >> 938 8.292 7.871 118.727 0 U 5.090E+02 0.000E+00 - 0 0 0 0 >> 939 8.292 1.669 118.727 0 U 2.111E+03 0.000E+00 - 0 0 0 0 >> 940 8.292 1.362 118.727 0 U 4.330E+02 0.000E+00 - 0 0 0 0 >> 941 8.292 1.585 118.727 0 U 2.111E+03 0.000E+00 - 0 0 0 0 >> 942 8.292 3.765 118.727 0 U 2.140E+03 0.000E+00 - 0 0 0 0 >> 943 8.292 7.578 118.727 0 U 2.620E+02 0.000E+00 - 0 0 0 0 >> 944 8.292 0.564 118.727 0 U 2.551E+03 0.000E+00 - 0 0 0 0 >> 945 8.292 3.281 118.727 0 U 9.550E+02 0.000E+00 - 0 0 0 0 >> 946 8.292 3.671 118.727 0 U 1.656E+03 0.000E+00 - 0 0 0 0 >> 947 8.292 0.536 118.727 0 U 2.586E+03 0.000E+00 - 0 0 0 0 >> 948 8.292 2.017 118.727 0 U 9.250E+02 0.000E+00 - 0 0 0 0 >> 949 8.292 1.594 118.727 0 U 2.111E+03 0.000E+00 - 0 0 0 0 >> 950 7.778 3.922 118.211 0 U 1.086E+03 0.000E+00 - 0 0 0 0 >> 951 7.778 3.707 118.211 0 U 1.492E+03 0.000E+00 - 0 0 0 0 >> 952 7.778 1.400 118.211 0 U 2.352E+03 0.000E+00 - 0 0 0 0 >> 953 7.778 2.812 118.211 0 U 8.300E+02 0.000E+00 - 0 0 0 0 >> 954 7.778 3.829 118.211 0 U 1.610E+03 0.000E+00 - 0 0 0 0 >> 955 7.778 1.223 118.211 0 U 1.875E+03 0.000E+00 - 0 0 0 0 >> 956 7.778 3.865 118.211 0 U 1.610E+03 0.000E+00 - 0 0 0 0 >> 957 7.778 3.642 118.211 0 U 1.492E+03 0.000E+00 - 0 0 0 0 >> 958 7.778 7.802 118.211 0 U 2.771E+03 0.000E+00 - 0 0 0 0 >> 959 7.778 1.390 118.211 0 U 2.352E+03 0.000E+00 - 0 0 0 0 >> 960 7.778 1.292 118.211 0 U 1.875E+03 0.000E+00 - 0 0 0 0 >> 961 7.709 8.353 112.919 0 U 9.140E+02 0.000E+00 - 0 0 0 0 >> 962 7.709 3.959 112.919 0 U 7.560E+02 0.000E+00 - 0 0 0 0 >> 963 7.709 7.791 112.919 0 U 1.645E+03 0.000E+00 - 0 0 0 0 >> 964 7.709 1.401 112.919 0 U 8.630E+02 0.000E+00 - 0 0 0 0 >> 965 7.709 1.311 112.919 0 U 1.082E+03 0.000E+00 - 0 0 0 0 >> 966 7.709 3.385 112.919 0 U 8.660E+02 0.000E+00 - 0 0 0 0 >> 967 7.709 3.402 112.919 0 U 8.660E+02 0.000E+00 - 0 0 0 0 >> 968 7.709 3.833 112.919 0 U 2.809E+03 0.000E+00 - 0 0 0 0 >> 969 7.709 1.758 112.919 0 U 6.470E+02 0.000E+00 - 0 0 0 0 >> 970 7.709 7.654 112.919 0 U 4.182E+03 0.000E+00 - 0 0 0 0 >> 971 7.709 0.600 112.919 0 U 2.240E+03 0.000E+00 - 0 0 0 0 >> 972 7.709 3.789 112.919 0 U 4.313E+03 0.000E+00 - 0 0 0 0 >> 973 7.709 1.598 112.919 0 U 1.384E+03 0.000E+00 - 0 0 0 0 >> 974 7.709 0.513 112.919 0 U 1.492E+03 0.000E+00 - 0 0 0 0 >> 975 7.709 1.210 112.919 0 U 9.700E+02 0.000E+00 - 0 0 0 0 >> 976 7.709 3.871 112.919 0 U 2.809E+03 0.000E+00 - 0 0 0 0 >> 977 7.131 3.959 118.587 0 U 1.099E+03 0.000E+00 - 0 0 0 0 >> 978 7.131 1.311 118.587 0 U 1.166E+03 0.000E+00 - 0 0 0 0 >> 979 7.131 1.605 118.587 0 U 8.920E+02 0.000E+00 - 0 0 0 0 >> 980 7.131 0.621 118.587 0 U 5.920E+02 0.000E+00 - 0 0 0 0 >> 981 7.131 3.818 118.587 0 U 2.165E+03 0.000E+00 - 0 0 0 0 >> 982 7.131 1.442 118.587 0 U 1.443E+03 0.000E+00 - 0 0 0 0 >> 983 7.131 1.515 118.587 0 U 1.574E+03 0.000E+00 - 0 0 0 0 >> 984 7.131 7.654 118.587 0 U 9.910E+02 0.000E+00 - 0 0 0 0 >> 985 7.131 1.413 118.587 0 U 1.443E+03 0.000E+00 - 0 0 0 0 >> 986 7.131 2.025 118.587 0 U 8.890E+02 0.000E+00 - 0 0 0 0 >> 987 7.131 1.598 118.587 0 U 8.920E+02 0.000E+00 - 0 0 0 0 >> 988 7.131 1.210 118.587 0 U 2.817E+03 0.000E+00 - 0 0 0 0 >> 989 7.131 3.871 118.587 0 U 2.700E+03 0.000E+00 - 0 0 0 0 >> 990 7.131 1.529 118.587 0 U 1.574E+03 0.000E+00 - 0 0 0 0 >> 991 7.131 3.449 118.587 0 U 7.110E+02 0.000E+00 - 0 0 0 0 >> 992 7.131 3.301 118.587 0 U 7.660E+02 0.000E+00 - 0 0 0 0 >> 993 7.739 0.536 119.790 0 U 8.220E+02 0.000E+00 - 0 0 0 0 >> 994 7.739 0.556 119.790 0 U 1.108E+03 0.000E+00 - 0 0 0 0 >> 995 7.739 1.206 119.790 0 U 1.684E+03 0.000E+00 - 0 0 0 0 >> 996 7.739 3.828 119.790 0 U 6.030E+02 0.000E+00 - 0 0 0 0 >> 997 7.739 0.724 119.790 0 U 8.620E+02 0.000E+00 - 0 0 0 0 >> 999 7.739 1.514 119.790 0 U 2.623E+03 0.000E+00 - 0 0 0 0 >> 1000 7.739 1.669 119.790 0 U 4.003E+03 0.000E+00 - 0 0 0 0 >> 1001 7.739 1.362 119.790 0 U 7.180E+02 0.000E+00 - 0 0 0 0 >> 1002 7.739 3.289 119.790 0 U 5.990E+02 0.000E+00 - 0 0 0 0 >> 1003 7.739 7.578 119.790 0 U 4.515E+03 0.000E+00 - 0 0 0 0 >> 1004 7.739 1.093 119.790 0 U 1.395E+03 0.000E+00 - 0 0 0 0 >> 1005 7.739 0.637 119.790 0 U 1.108E+03 0.000E+00 - 0 0 0 0 >> 1006 7.739 0.624 119.790 0 U 1.108E+03 0.000E+00 - 0 0 0 0 >> 1007 7.739 0.564 119.790 0 U 1.108E+03 0.000E+00 - 0 0 0 0 >> 1008 7.739 1.204 119.790 0 U 1.684E+03 0.000E+00 - 0 0 0 0 >> 1009 7.739 3.281 119.790 0 U 5.990E+02 0.000E+00 - 0 0 0 0 >> 1010 7.739 3.671 119.790 0 U 2.073E+03 0.000E+00 - 0 0 0 0 >> 1011 7.739 1.560 119.790 0 U 2.623E+03 0.000E+00 - 0 0 0 0 >> 1012 7.739 3.778 119.790 0 U 1.642E+03 0.000E+00 - 0 0 0 0 >> 1013 7.739 8.083 119.790 0 U 1.105E+03 0.000E+00 - 0 0 0 0 >> 1014 7.802 1.318 119.511 0 U 1.853E+03 0.000E+00 - 0 0 0 0 >> 1015 7.802 1.583 119.511 0 U 1.369E+03 0.000E+00 - 0 0 0 0 >> 1016 7.802 1.294 119.511 0 U 2.341E+03 0.000E+00 - 0 0 0 0 >> 1017 7.802 7.387 119.511 0 U 7.170E+02 0.000E+00 - 0 0 0 0 >> 1018 7.802 3.707 119.511 0 U 1.444E+03 0.000E+00 - 0 0 0 0 >> 1019 7.802 1.374 119.511 0 U 1.853E+03 0.000E+00 - 0 0 0 0 >> 1020 7.802 1.400 119.511 0 U 1.056E+03 0.000E+00 - 0 0 0 0 >> 1022 7.802 3.829 119.511 0 U 1.183E+03 0.000E+00 - 0 0 0 0 >> 1023 7.802 1.223 119.511 0 U 2.341E+03 0.000E+00 - 0 0 0 0 >> 1024 7.802 7.778 119.511 0 U 2.853E+03 0.000E+00 - 0 0 0 0 >> 1025 7.802 1.221 119.511 0 U 2.341E+03 0.000E+00 - 0 0 0 0 >> 1026 7.802 3.865 119.511 0 U 1.183E+03 0.000E+00 - 0 0 0 0 >> 1027 7.802 3.642 119.511 0 U 1.444E+03 0.000E+00 - 0 0 0 0 >> 1028 7.802 1.292 119.511 0 U 2.341E+03 0.000E+00 - 0 0 0 0 >> 1029 7.802 1.095 119.511 0 U 7.630E+02 0.000E+00 - 0 0 0 0 >> 1030 8.083 0.774 117.746 0 U 6.170E+02 0.000E+00 - 0 0 0 0 >> 1031 8.083 0.556 117.746 0 U 4.050E+03 0.000E+00 - 0 0 0 0 >> 1032 8.083 1.206 117.746 0 U 1.491E+03 0.000E+00 - 0 0 0 0 >> 1033 8.083 3.828 117.746 0 U 6.010E+02 0.000E+00 - 0 0 0 0 >> 1034 8.083 0.724 117.746 0 U 2.029E+03 0.000E+00 - 0 0 0 0 >> 1035 8.083 7.628 117.746 0 U 9.620E+02 0.000E+00 - 0 0 0 0 >> 1036 8.083 1.514 117.746 0 U 4.103E+03 0.000E+00 - 0 0 0 0 >> 1037 8.083 3.289 117.746 0 U 1.036E+03 0.000E+00 - 0 0 0 0 >> 1038 8.083 3.765 117.746 0 U 1.978E+03 0.000E+00 - 0 0 0 0 >> 1039 8.083 3.558 117.746 0 U 1.090E+03 0.000E+00 - 0 0 0 0 >> 1040 8.083 3.436 117.746 0 U 1.066E+03 0.000E+00 - 0 0 0 0 >> 1041 8.083 0.637 117.746 0 U 4.050E+03 0.000E+00 - 0 0 0 0 >> 1042 8.083 0.624 117.746 0 U 4.050E+03 0.000E+00 - 0 0 0 0 >> 1043 8.083 7.177 117.746 0 U 1.112E+03 0.000E+00 - 0 0 0 0 >> 1044 8.083 0.564 117.746 0 U 4.050E+03 0.000E+00 - 0 0 0 0 >> 1045 8.083 1.204 117.746 0 U 1.491E+03 0.000E+00 - 0 0 0 0 >> 1046 8.083 3.281 117.746 0 U 1.036E+03 0.000E+00 - 0 0 0 0 >> 1047 8.083 7.739 117.746 0 U 1.158E+03 0.000E+00 - 0 0 0 0 >> 1048 8.083 1.560 117.746 0 U 4.103E+03 0.000E+00 - 0 0 0 0 >> 1049 8.083 1.954 117.746 0 U 1.139E+03 0.000E+00 - 0 0 0 0 >> 1050 7.131 3.663 118.587 0 U 6.690E+02 0.000E+00 - 0 0 0 0 >> 1051 7.356 7.356 111.402 0 U 3.293E+04 0.000E+00 - 0 0 0 0 >> 1052 7.356 6.544 111.402 0 U 1.160E+04 0.000E+00 - 0 0 0 0 >> 1053 7.356 2.091 111.402 0 U 1.184E+02 0.000E+00 - 0 0 0 0 >> 1054 6.544 6.544 111.402 0 U 7.561E+04 0.000E+00 - 0 0 0 0 >> 1055 6.544 7.356 111.402 0 U 1.501E+04 0.000E+00 - 0 0 0 0 >> 1056 7.307 7.307 111.268 0 U 3.201E+04 0.000E+00 - 0 0 0 0 >> 1057 7.307 6.547 111.268 0 U 5.172E+03 0.000E+00 - 0 0 0 0 >> 1058 6.547 7.307 111.268 0 U 1.501E+04 0.000E+00 - 0 0 0 0 >> 1059 6.547 6.547 111.268 0 U 3.507E+04 0.000E+00 - 0 0 0 0 >> 1060 7.701 3.902 112.919 0 U 2.809E+03 0.000E+00 - 0 0 0 0 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 HN . . 11.9855 ppm . . . 4.671 . . 30481 2 >> 2 . . N 15 N . folded 32.0000 ppm . . . 118.030 . . 30481 2 >> 3 . . H 1 H . . 12.0000 ppm . . . 4.671 . . 30481 2 >> >> stop_ >> >>save_ >> ; save_