data_34440 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the amyloid beta-peptide (1-42) ; _BMRB_accession_number 34440 _BMRB_flat_file_name bmr34440.str _Entry_type original _Submission_date 2019-10-02 _Accession_date 2019-10-02 _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 Grimaldi M. . . 2 Santoro A. . . 3 Stillitano I. . . 4 Buonocore M. . . 5 D'Ursi A. M. . 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" 226 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-10-09 original BMRB . stop_ _Original_release_date 2020-02-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of amyloid beta (1-42) peptide ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Grimaldi M. . . 2 Santoro A. . . 3 Stillitano I. . . 4 Buonocore M. . . 5 D'Ursi A. M. . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Amyloid-beta precursor protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 4520.087 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 42 _Mol_residue_sequence ; DAEFRHDSGYEVHHQKLVFF AEDVGSNKGAIIGLMVGGVV IA ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 ALA 3 GLU 4 PHE 5 ARG 6 HIS 7 ASP 8 SER 9 GLY 10 TYR 11 GLU 12 VAL 13 HIS 14 HIS 15 GLN 16 LYS 17 LEU 18 VAL 19 PHE 20 PHE 21 ALA 22 GLU 23 ASP 24 VAL 25 GLY 26 SER 27 ASN 28 LYS 29 GLY 30 ALA 31 ILE 32 ILE 33 GLY 34 LEU 35 MET 36 VAL 37 GLY 38 GLY 39 VAL 40 VAL 41 ILE 42 ALA 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 Human 9606 Eukaryota Metazoa Homo sapiens 'APP, A4, AD1' 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 '0.5 mM Amyloid beta-peptide (1-42), 50% H2O/50% HFIP' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert P.' . . 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name Sparky _Version . loop_ _Vendor _Address _Electronic_address Goddard . . 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 AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . 'Not defined' pH 5.4 . pH pressure 1 . atm temperature 300 . 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 H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ASP H H 8.690 0.007 . 2 1 1 ASP HA H 4.932 0.001 . 3 1 1 ASP HB2 H 3.026 0.001 . 4 1 1 ASP HB3 H 3.026 0.001 . 5 2 2 ALA H H 8.430 0.003 . 6 2 2 ALA HA H 4.335 0.001 . 7 2 2 ALA HB H 1.571 0.001 . 8 3 3 GLU H H 8.523 0.001 . 9 3 3 GLU HA H 4.281 0.001 . 10 3 3 GLU HB2 H 2.549 0.001 . 11 3 3 GLU HB3 H 2.549 0.001 . 12 3 3 GLU HG2 H 2.242 0.005 . 13 3 3 GLU HG3 H 2.242 0.005 . 14 4 4 PHE H H 8.021 0.001 . 15 4 4 PHE HA H 4.606 0.001 . 16 4 4 PHE HB2 H 3.341 0.002 . 17 4 4 PHE HB3 H 3.341 0.002 . 18 4 4 PHE HD1 H 7.371 0.002 . 19 4 4 PHE HD2 H 7.371 0.002 . 20 5 5 ARG H H 8.142 0.001 . 21 5 5 ARG HA H 4.206 0.002 . 22 5 5 ARG HB2 H 2.034 0.007 . 23 5 5 ARG HB3 H 2.019 0.009 . 24 5 5 ARG HG2 H 1.840 0.002 . 25 5 5 ARG HG3 H 1.759 0.003 . 26 5 5 ARG HD2 H 3.321 0.001 . 27 5 5 ARG HD3 H 3.321 0.001 . 28 5 5 ARG HE H 7.433 0.001 . 29 6 6 HIS H H 8.416 0.001 . 30 6 6 HIS HA H 4.671 0.001 . 31 6 6 HIS HB2 H 3.498 0.003 . 32 6 6 HIS HB3 H 3.444 0.001 . 33 6 6 HIS HD2 H 8.571 0.001 . 34 6 6 HIS HE1 H 7.416 0.002 . 35 7 7 ASP H H 8.687 0.004 . 36 7 7 ASP HA H 4.830 0.001 . 37 7 7 ASP HB2 H 3.030 0.002 . 38 7 7 ASP HB3 H 3.030 0.002 . 39 8 8 SER H H 8.516 0.001 . 40 8 8 SER HA H 4.422 0.002 . 41 8 8 SER HB2 H 4.019 0.000 . 42 8 8 SER HB3 H 3.936 0.000 . 43 9 9 GLY H H 8.312 0.002 . 44 9 9 GLY HA2 H 4.092 0.002 . 45 9 9 GLY HA3 H 4.092 0.002 . 46 10 10 TYR H H 8.233 0.001 . 47 10 10 TYR HA H 4.420 0.001 . 48 10 10 TYR HB2 H 3.305 0.002 . 49 10 10 TYR HB3 H 3.305 0.002 . 50 10 10 TYR HD1 H 7.236 0.002 . 51 10 10 TYR HD2 H 7.236 0.002 . 52 10 10 TYR HE1 H 6.892 0.002 . 53 10 10 TYR HE2 H 6.892 0.002 . 54 11 11 GLU H H 8.608 0.003 . 55 11 11 GLU HA H 4.313 0.002 . 56 11 11 GLU HB2 H 2.413 0.001 . 57 11 11 GLU HB3 H 2.392 0.001 . 58 11 11 GLU HG2 H 2.415 0.002 . 59 11 11 GLU HG3 H 2.393 0.001 . 60 12 12 VAL H H 8.460 0.003 . 61 12 12 VAL HA H 3.938 0.001 . 62 12 12 VAL HB H 2.251 0.006 . 63 12 12 VAL HG1 H 1.209 0.001 . 64 12 12 VAL HG2 H 1.039 0.005 . 65 13 13 HIS H H 8.064 0.002 . 66 13 13 HIS HA H 4.419 0.004 . 67 13 13 HIS HB2 H 3.398 0.001 . 68 13 13 HIS HB3 H 3.398 0.001 . 69 13 13 HIS HD2 H 8.503 0.002 . 70 13 13 HIS HE1 H 7.384 0.002 . 71 14 14 HIS H H 8.530 0.005 . 72 14 14 HIS HA H 4.409 0.002 . 73 14 14 HIS HB2 H 3.475 0.003 . 74 14 14 HIS HB3 H 3.249 0.004 . 75 14 14 HIS HD2 H 8.297 0.001 . 76 14 14 HIS HE1 H 7.307 0.001 . 77 15 15 GLN H H 8.420 0.003 . 78 15 15 GLN HA H 4.102 0.002 . 79 15 15 GLN HB2 H 2.375 0.001 . 80 15 15 GLN HB3 H 2.315 0.002 . 81 15 15 GLN HG2 H 2.501 0.003 . 82 15 15 GLN HG3 H 2.501 0.003 . 83 15 15 GLN HE21 H 6.645 0.002 . 84 15 15 GLN HE22 H 6.395 0.001 . 85 16 16 LYS H H 8.067 0.001 . 86 16 16 LYS HA H 4.249 0.001 . 87 16 16 LYS HB2 H 2.117 0.002 . 88 16 16 LYS HB3 H 2.080 0.005 . 89 16 16 LYS HG2 H 1.660 0.003 . 90 16 16 LYS HG3 H 1.660 0.003 . 91 16 16 LYS HD2 H 1.830 0.007 . 92 16 16 LYS HD3 H 1.830 0.007 . 93 16 16 LYS HE2 H 3.091 0.003 . 94 16 16 LYS HE3 H 3.091 0.003 . 95 17 17 LEU H H 7.750 0.004 . 96 17 17 LEU HA H 4.410 0.002 . 97 17 17 LEU HB2 H 1.906 0.002 . 98 17 17 LEU HB3 H 1.906 0.002 . 99 17 17 LEU HD1 H 1.086 0.002 . 100 17 17 LEU HD2 H 1.044 0.003 . 101 18 18 VAL H H 7.874 0.004 . 102 18 18 VAL HA H 3.803 0.001 . 103 18 18 VAL HB H 2.196 0.001 . 104 18 18 VAL HG1 H 1.032 0.003 . 105 18 18 VAL HG2 H 1.032 0.003 . 106 19 19 PHE H H 8.162 0.001 . 107 19 19 PHE HA H 4.545 0.001 . 108 19 19 PHE HB2 H 3.391 0.002 . 109 19 19 PHE HB3 H 3.391 0.002 . 110 19 19 PHE HD1 H 7.342 0.004 . 111 19 19 PHE HD2 H 7.342 0.004 . 112 20 20 PHE H H 8.521 0.001 . 113 20 20 PHE HA H 4.486 0.001 . 114 20 20 PHE HB2 H 3.475 0.007 . 115 20 20 PHE HB3 H 3.475 0.007 . 116 20 20 PHE HD1 H 7.427 0.003 . 117 20 20 PHE HD2 H 7.427 0.003 . 118 21 21 ALA H H 8.918 0.002 . 119 21 21 ALA HA H 4.111 0.003 . 120 21 21 ALA HB H 1.704 0.001 . 121 22 22 GLU H H 8.554 0.002 . 122 22 22 GLU HA H 4.306 0.002 . 123 22 22 GLU HB2 H 2.356 0.007 . 124 22 22 GLU HB3 H 2.303 0.002 . 125 22 22 GLU HG2 H 2.776 0.004 . 126 22 22 GLU HG3 H 2.660 0.003 . 127 23 23 ASP H H 8.330 0.002 . 128 23 23 ASP HA H 4.701 0.001 . 129 23 23 ASP HB2 H 2.949 0.001 . 130 23 23 ASP HB3 H 2.949 0.001 . 131 24 24 VAL H H 8.338 0.002 . 132 24 24 VAL HA H 3.890 0.002 . 133 24 24 VAL HB H 2.057 0.002 . 134 24 24 VAL HG1 H 0.976 0.003 . 135 24 24 VAL HG2 H 0.898 0.002 . 136 25 25 GLY H H 8.326 0.003 . 137 25 25 GLY HA2 H 4.024 0.001 . 138 25 25 GLY HA3 H 4.024 0.001 . 139 26 26 SER H H 7.991 0.002 . 140 26 26 SER HA H 4.573 0.010 . 141 26 26 SER HB2 H 4.186 0.009 . 142 26 26 SER HB3 H 4.155 0.001 . 143 27 27 ASN H H 8.161 0.001 . 144 27 27 ASN HA H 4.959 0.002 . 145 27 27 ASN HB2 H 3.112 0.003 . 146 27 27 ASN HB3 H 3.023 0.003 . 147 27 27 ASN HD21 H 7.196 0.371 . 148 27 27 ASN HD22 H 7.063 0.396 . 149 28 28 LYS H H 8.293 0.038 . 150 28 28 LYS HA H 4.308 0.002 . 151 28 28 LYS HB2 H 2.101 0.001 . 152 28 28 LYS HB3 H 2.056 0.001 . 153 28 28 LYS HG2 H 1.705 0.002 . 154 28 28 LYS HG3 H 1.667 0.002 . 155 28 28 LYS HD2 H 1.877 0.001 . 156 28 28 LYS HD3 H 1.877 0.001 . 157 28 28 LYS HE2 H 3.180 0.001 . 158 28 28 LYS HE3 H 3.180 0.001 . 159 29 29 GLY H H 8.379 0.041 . 160 29 29 GLY HA2 H 4.027 0.001 . 161 29 29 GLY HA3 H 4.027 0.001 . 162 30 30 ALA H H 7.835 0.001 . 163 30 30 ALA HA H 4.381 0.002 . 164 30 30 ALA HB H 1.659 0.001 . 165 31 31 ILE H H 7.670 0.002 . 166 31 31 ILE HA H 4.094 0.002 . 167 31 31 ILE HB H 2.161 0.002 . 168 31 31 ILE HG12 H 1.784 0.002 . 169 31 31 ILE HG13 H 1.459 0.003 . 170 31 31 ILE HG2 H 1.145 0.002 . 171 31 31 ILE HD1 H 1.058 0.005 . 172 32 32 ILE H H 7.915 0.002 . 173 32 32 ILE HA H 4.004 0.002 . 174 32 32 ILE HB H 2.079 0.003 . 175 32 32 ILE HG12 H 1.825 0.001 . 176 32 32 ILE HG13 H 1.414 0.005 . 177 32 32 ILE HG2 H 1.098 0.003 . 178 32 32 ILE HD1 H 1.036 0.003 . 179 33 33 GLY H H 7.992 0.002 . 180 33 33 GLY HA2 H 3.970 0.000 . 181 33 33 GLY HA3 H 3.970 0.000 . 182 34 34 LEU H H 7.994 0.002 . 183 34 34 LEU HA H 4.378 0.002 . 184 34 34 LEU HB2 H 2.133 0.008 . 185 34 34 LEU HB3 H 2.133 0.008 . 186 34 34 LEU HG H 1.955 0.002 . 187 34 34 LEU HD1 H 1.091 0.001 . 188 34 34 LEU HD2 H 1.040 0.001 . 189 35 35 MET H H 8.325 0.001 . 190 35 35 MET HA H 4.478 0.002 . 191 35 35 MET HB2 H 2.498 0.003 . 192 35 35 MET HB3 H 2.320 0.005 . 193 35 35 MET HG2 H 2.900 0.002 . 194 35 35 MET HG3 H 2.900 0.002 . 195 35 35 MET HE H 2.742 0.003 . 196 36 36 VAL H H 8.654 0.002 . 197 36 36 VAL HA H 4.129 0.003 . 198 36 36 VAL HB H 2.374 0.007 . 199 36 36 VAL HG1 H 1.209 0.002 . 200 36 36 VAL HG2 H 1.131 0.002 . 201 37 37 GLY H H 8.157 0.002 . 202 37 37 GLY HA2 H 4.140 0.000 . 203 37 37 GLY HA3 H 4.077 0.000 . 204 38 38 GLY H H 8.059 0.001 . 205 38 38 GLY HA2 H 4.126 0.001 . 206 38 38 GLY HA3 H 4.126 0.001 . 207 39 39 VAL H H 7.861 0.001 . 208 39 39 VAL HA H 4.198 0.002 . 209 39 39 VAL HB H 2.308 0.002 . 210 39 39 VAL HG1 H 1.142 0.003 . 211 39 39 VAL HG2 H 1.083 0.029 . 212 40 40 VAL H H 7.762 0.002 . 213 40 40 VAL HA H 4.206 0.002 . 214 40 40 VAL HB H 2.259 0.002 . 215 40 40 VAL HG1 H 1.134 0.002 . 216 40 40 VAL HG2 H 1.093 0.005 . 217 41 41 ILE H H 7.750 0.003 . 218 41 41 ILE HA H 4.333 0.001 . 219 41 41 ILE HB H 2.094 0.002 . 220 41 41 ILE HG12 H 1.340 0.002 . 221 41 41 ILE HG13 H 1.340 0.002 . 222 41 41 ILE HG2 H 1.089 0.003 . 223 41 41 ILE HD1 H 1.034 0.002 . 224 42 42 ALA H H 7.679 0.001 . 225 42 42 ALA HA H 4.441 0.001 . 226 42 42 ALA HB H 1.582 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 34440 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Chem_shift_reference_ID 1 >> _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 >> _Spectral_peak_list.Experiment_ID 1 >> _Spectral_peak_list.Experiment_name '2D 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 >> 1 4.131 8.655 1 U 1.68e+05 0 e 0 171 173 >> 2 4.196 7.860 1 U 1.6e+05 0 e 0 181 183 >> 3 4.335 7.747 1 U 1.3e+05 0 e 0 191 193 >> 4 4.005 7.914 1 U 2.42e+05 0 e 0 150 154 >> 5 3.803 7.876 1 U 1.23e+05 0 e 0 86 88 >> 6 3.891 8.337 1 U 2.06e+05 0 e 0 110 113 >> 7 3.938 8.459 1 U 1.85e+05 0 e 0 51 53 >> 8 4.028 8.396 1 U 5.47e+05 0 e 0 137 136 >> 9 4.958 8.161 1 U 2.11e+05 0 e 0 122 127 >> 10 4.092 8.313 1 U 7.12e+05 0 e 0 37 36 >> 11 4.096 7.670 1 U 1.42e+05 0 e 0 141 145 >> 12 4.334 8.432 1 U 7.1e+04 0 e 0 4 5 >> 13 4.440 7.679 1 U 8.36e+04 0 e 0 197 198 >> 14 4.671 8.416 1 U 6.53e+05 0 e 0 23 28 >> 15 4.957 7.458 1 U 5.19e+05 0 e 0 122 125 >> 16 6.671 7.458 1 U 8.57e+05 0 e 0 125 126 >> 17 3.111 8.161 1 U 1.11e+05 0 e 0 123 127 >> 18 3.019 8.163 1 U 1.92e+05 0 e 0 124 127 >> 19 3.114 7.458 1 U 1.16e+05 0 e 0 123 125 >> 20 3.021 7.460 1 U 1.37e+05 0 e 0 124 126 >> 21 3.108 6.669 1 U 1.23e+06 0 e 0 123 126 >> 22 3.025 6.667 1 U 1.36e+05 0 e 0 124 126 >> 23 4.961 3.112 1 U 3.12e+05 0 e 0 122 123 >> 24 4.961 3.025 1 U 2.76e+05 0 e 0 122 124 >> 25 3.110 3.027 1 U 3.18e+06 0 e 0 123 124 >> 26 4.203 7.760 1 U 5.28e+05 0 e 0 186 188 >> 27 4.422 8.234 1 U 1.87e+05 0 e 0 38 39 >> 28 4.479 8.325 1 U 2.31e+05 0 e 0 165 168 >> 29 4.702 8.330 1 U 3.2e+06 0 e 0 107 108 >> 30 4.204 8.143 1 U 3.28e+05 0 e 0 15 21 >> 31 4.310 8.281 1 U 1.04e+04 0 e 0 128 133 >> 32 4.311 8.605 1 U 7.2e+04 0 e 0 43 48 >> 33 4.382 7.833 1 U 1.42e+05 0 e 0 138 139 >> 34 4.114 8.918 1 U 1.7e+05 0 e 0 98 99 >> 35 4.606 8.020 1 U 1.45e+05 0 e 0 11 12 >> 36 1.581 7.680 1 U 1.04e+05 0 e 0 199 198 >> 37 4.332 7.681 1 U 1.34e+05 0 e 0 191 198 >> 38 4.442 1.582 1 U 1.65e+05 0 e 0 197 199 >> 39 7.756 7.681 1 U 3.22e+05 0 e 0 193 198 >> 40 4.025 7.835 1 U 1.74e+05 0 e 0 137 139 >> 41 8.397 7.835 1 U 9.57e+04 0 e 0 136 139 >> 42 4.312 7.835 1 U 1.32e+06 0 e 0 128 139 >> 43 8.407 8.287 1 U 5.91e+05 0 e 0 133 136 >> 44 4.959 8.281 1 U 2.01e+05 0 e 0 122 133 >> 45 4.337 1.573 1 U 4.52e+05 0 e 0 4 6 >> 46 4.410 7.750 1 U 2.13e+05 0 e 0 81 82 >> 47 4.412 7.875 1 U 4.66e+05 0 e 0 81 88 >> 48 4.481 8.653 1 U 9.33e+04 0 e 0 165 173 >> 49 8.323 8.657 1 U 1.14e+05 0 e 0 168 173 >> 50 1.657 7.835 1 U 3.36e+05 0 e 0 140 139 >> 51 4.283 8.523 1 U 2.25e+05 0 e 0 7 8 >> 52 1.570 8.432 1 U 2.61e+05 0 e 0 6 5 >> 53 4.932 8.433 1 U 2.11e+05 0 e 0 1 5 >> 54 2.549 8.522 1 U 9.99e+04 0 e 0 9 8 >> 55 2.246 8.521 1 U 3.38e+05 0 e 0 10 8 >> 56 4.419 8.065 1 U 3.2e+05 0 e 0 56 59 >> 57 4.421 8.518 1 U 1.4e+05 0 e 0 32 35 >> 58 4.486 8.519 1 U 2.21e+04 0 e 0 94 95 >> 59 4.545 8.160 1 U 1.86e+05 0 e 0 90 91 >> 60 4.251 8.069 1 U 1.66e+05 0 e 0 74 77 >> 61 4.307 8.554 1 U 1.22e+05 0 e 0 101 106 >> 62 3.970 7.989 1 U 2.82e+05 0 e 0 158 157 >> 63 3.398 8.067 1 U 3.38e+05 0 e 0 60 59 >> 64 3.307 8.234 1 U 3.5e+05 0 e 0 40 39 >> 65 4.418 3.303 1 U 6.48e+05 0 e 0 38 40 >> 66 3.480 8.519 1 U 3.3e+05 0 e 0 96 95 >> 67 3.391 8.164 1 U 2.99e+05 0 e 0 92 91 >> 68 3.343 8.021 1 U 3.86e+05 0 e 0 13 12 >> 69 4.545 3.392 1 U 4.66e+05 0 e 0 90 92 >> 70 4.608 3.337 1 U 4.86e+05 0 e 0 11 13 >> 71 4.484 3.476 1 U 4.93e+05 0 e 0 94 96 >> 72 4.419 3.396 1 U 4.32e+05 0 e 0 56 60 >> 73 4.110 1.703 1 U 6.53e+05 0 e 0 98 100 >> 74 2.375 8.654 1 U 2.1e+05 0 e 0 172 173 >> 75 1.209 8.653 1 U 1.94e+05 0 e 0 174 173 >> 76 1.129 8.653 1 U 9.47e+04 0 e 0 175 173 >> 77 2.379 1.211 1 U 5.8e+05 0 e 0 172 174 >> 78 2.379 1.131 1 U 2.65e+05 0 e 0 172 175 >> 79 4.123 2.374 1 U 3.81e+05 0 e 0 171 172 >> 80 4.129 1.210 1 U 2.6e+05 0 e 0 171 174 >> 81 4.131 1.134 1 U 2.92e+05 0 e 0 171 175 >> 82 4.127 8.058 1 U 2.96e+05 0 e 0 180 179 >> 83 4.198 2.308 1 U 7.96e+04 0 e 0 181 182 >> 84 4.201 1.139 1 U 3.42e+05 0 e 0 181 184 >> 85 4.198 1.103 1 U 2.75e+05 0 e 0 181 185 >> 86 2.312 1.141 1 U 1.63e+06 0 e 0 182 184 >> 87 2.309 1.095 1 U -4.2e+04 0 e 0 182 185 >> 88 2.306 7.860 1 U 2.01e+05 0 e 0 182 183 >> 89 1.146 7.860 1 U 1.73e+05 0 e 0 184 183 >> 90 1.100 7.863 1 U 8.85e+04 0 e 0 185 183 >> 91 4.125 7.860 1 U 1.46e+05 0 e 0 180 183 >> 92 4.832 8.684 1 U 1.17e+06 0 e 0 29 30 >> 93 3.494 8.418 1 U 2.72e+05 0 e 0 24 28 >> 94 3.445 8.416 1 U 2.55e+05 0 e 0 25 28 >> 95 4.673 3.499 1 U 1.38e+05 0 e 0 23 24 >> 96 4.672 3.444 1 U 2.21e+05 0 e 0 23 25 >> 97 2.162 1.143 1 U 4.89e+05 0 e 0 142 149 >> 98 2.550 2.238 1 U 3.7e+07 0 e 0 9 10 >> 99 4.280 2.245 1 U 4.11e+05 0 e 0 7 10 >> 100 4.280 2.547 1 U 1.64e+05 0 e 0 7 9 >> 101 4.279 8.022 1 U 2.72e+05 0 e 0 7 12 >> 102 8.523 8.022 1 U 7.41e+05 0 e 0 8 12 >> 103 4.583 7.991 1 U 1.69e+05 0 e 0 118 121 >> 104 4.562 4.177 1 U 1.25e+06 0 e 0 118 119 >> 105 4.564 4.154 1 U 1.25e+06 0 e 0 118 120 >> 106 4.196 7.991 1 U 1.19e+03 0 e 0 119 121 >> 107 4.156 7.990 1 U -3.06e+06 0 e 0 120 121 >> 108 4.583 8.160 1 U 1.43e+05 0 e 0 118 127 >> 109 4.606 8.143 1 U 6.86e+04 0 e 0 11 21 >> 110 8.023 8.143 1 U 4.32e+05 0 e 0 12 21 >> 111 8.428 8.525 1 U 1.37e+06 0 e 0 5 8 >> 112 4.336 8.525 1 U 1.35e+04 0 e 0 4 8 >> 113 8.697 8.424 1 U 9.44e+05 0 e 0 2 5 >> 114 7.873 8.162 1 U 8.91e+04 0 e 0 88 91 >> 115 3.801 8.160 1 U 4.31e+04 0 e 0 86 91 >> 116 4.545 8.521 1 U 2.65e+06 0 e 0 90 95 >> 117 8.162 8.521 1 U 1.24e+05 0 e 0 91 95 >> 118 4.484 8.922 1 U 4.07e+04 0 e 0 94 99 >> 119 8.521 8.916 1 U 4.49e+05 0 e 0 95 99 >> 120 7.761 7.864 1 U 2.55e+05 0 e 0 82 88 >> 121 4.383 7.669 1 U 2.6e+05 0 e 0 138 145 >> 122 7.988 8.163 1 U 4.32e+05 0 e 0 121 127 >> 123 8.159 8.283 1 U 1.59e+05 0 e 0 127 133 >> 124 4.309 8.397 1 U 2.76e+06 0 e 0 128 136 >> 125 7.834 7.668 1 U 1.23e+05 0 e 0 139 145 >> 126 7.675 7.913 1 U 1.05e+05 0 e 0 145 154 >> 127 4.092 7.916 1 U 2.22e+04 0 e 0 141 154 >> 128 7.914 7.989 1 U 5.37e+05 0 e 0 154 157 >> 129 4.077 8.158 1 U 3.94e+05 0 e 0 177 178 >> 130 4.140 8.157 1 U 3.45e+05 0 e 0 176 178 >> 131 8.655 8.156 1 U 1.07e+05 0 e 0 173 178 >> 132 8.153 8.061 1 U 2.31e+05 0 e 0 178 179 >> 133 8.058 7.863 1 U 1.39e+05 0 e 0 179 183 >> 134 7.859 7.766 1 U 2.97e+05 0 e 0 183 188 >> 135 8.139 8.415 1 U 1.01e+05 0 e 0 21 28 >> 136 8.413 8.691 1 U 1.33e+05 0 e 0 28 30 >> 137 4.205 8.417 1 U 1.54e+05 0 e 0 15 28 >> 138 3.025 8.682 1 U 2.28e+05 0 e 0 3 2 >> 139 4.934 3.027 1 U 4.37e+05 0 e 0 1 3 >> 140 3.027 8.433 1 U 1.49e+05 0 e 0 3 5 >> 141 1.571 8.523 1 U 1.02e+05 0 e 0 6 8 >> 142 3.320 2.035 1 U 2.35e+06 0 e 0 22 16 >> 143 3.318 2.014 1 U 1.41e+05 0 e 0 22 17 >> 144 3.320 1.841 1 U 2.87e+03 0 e 0 22 19 >> 145 4.210 3.323 1 U 1.17e+05 0 e 0 15 22 >> 146 4.205 2.034 1 U 4.75e+05 0 e 0 15 16 >> 147 4.205 1.842 1 U -3.89e+05 0 e 0 15 19 >> 148 3.321 8.140 1 U 3.88e+05 0 e 0 22 21 >> 149 2.018 8.141 1 U 6.49e+04 0 e 0 16 21 >> 150 2.040 8.141 1 U 3.37e+05 0 e 0 17 21 >> 151 1.837 8.142 1 U 1.68e+05 0 e 0 19 21 >> 152 4.206 1.761 1 U 9.28e+06 0 e 0 15 20 >> 153 3.320 1.761 1 U 9.52e+06 0 e 0 22 20 >> 154 2.017 1.842 1 U 2.78e+07 0 e 0 17 19 >> 155 2.038 1.840 1 U 2.78e+07 0 e 0 16 19 >> 156 2.038 1.760 1 U 2.78e+07 0 e 0 16 20 >> 157 2.017 1.761 1 U 2.78e+07 0 e 0 17 20 >> 158 1.837 1.762 1 U 2.78e+07 0 e 0 19 20 >> 159 1.757 8.142 1 U 7.53e+04 0 e 0 20 21 >> 160 3.320 7.432 1 U 7.34e+04 0 e 0 22 18 >> 161 2.040 7.434 1 U 1.1e+06 0 e 0 16 18 >> 162 2.019 7.433 1 U -364 0 e 0 17 18 >> 163 1.839 7.435 1 U 1.7e+05 0 e 0 19 18 >> 164 1.754 7.433 1 U 1.16e+03 0 e 0 20 18 >> 165 2.020 8.414 1 U 3.96e+03 0 e 0 17 28 >> 166 2.037 8.416 1 U 1.63e+05 0 e 0 16 28 >> 167 4.830 3.033 1 U 4.71e+05 0 e 0 29 31 >> 168 3.033 8.684 1 U 2.28e+05 0 e 0 31 30 >> 169 3.442 8.682 1 U 6.94e+04 0 e 0 25 30 >> 170 3.502 8.684 1 U 1.35e+05 0 e 0 24 30 >> 171 2.096 7.749 1 U 2.43e+05 0 e 0 192 193 >> 172 1.340 7.752 1 U 1.14e+05 0 e 0 195 193 >> 173 1.032 7.747 1 U 5.17e+04 0 e 0 194 193 >> 174 1.088 7.748 1 U 1.84e+05 0 e 0 196 193 >> 175 4.334 2.093 1 U 2.06e+05 0 e 0 191 192 >> 176 4.334 1.092 1 U 1.29e+05 0 e 0 191 196 >> 177 4.332 1.035 1 U -4.09e+05 0 e 0 191 194 >> 178 2.093 1.092 1 U -3.14e+04 0 e 0 192 196 >> 179 2.090 1.035 1 U 1.33e+05 0 e 0 192 194 >> 180 1.342 1.090 1 U 6.41e+06 0 e 0 195 196 >> 181 1.338 1.035 1 U 6.41e+06 0 e 0 195 194 >> 182 4.205 2.257 1 U 8e+05 0 e 0 186 187 >> 183 4.208 1.135 1 U -320 0 e 0 186 189 >> 184 4.209 1.100 1 U 6.18e+04 0 e 0 186 190 >> 185 2.259 1.136 1 U 9.03e+04 0 e 0 187 189 >> 186 2.260 1.092 1 U 1.2e+05 0 e 0 187 190 >> 187 2.261 7.761 1 U 1.93e+05 0 e 0 187 188 >> 188 1.087 7.762 1 U 1.78e+05 0 e 0 190 188 >> 189 1.131 7.760 1 U 2.41e+05 0 e 0 189 188 >> 190 2.310 7.765 1 U 7.94e+04 0 e 0 182 188 >> 191 2.378 8.156 1 U 1.82e+05 0 e 0 172 178 >> 192 1.130 8.157 1 U 9.2e+04 0 e 0 175 178 >> 193 1.210 8.159 1 U 6.01e+04 0 e 0 174 178 >> 194 2.903 8.325 1 U 9.25e+04 0 e 0 170 168 >> 195 2.743 8.325 1 U 1.69e+05 0 e 0 169 168 >> 196 2.317 8.325 1 U 1.6e+05 0 e 0 167 168 >> 197 2.499 8.324 1 U 1.97e+05 0 e 0 166 168 >> 198 4.476 2.898 1 U 7.05e+04 0 e 0 165 170 >> 199 4.477 2.746 1 U 1.36e+05 0 e 0 165 169 >> 200 4.475 2.491 1 U 1.59e+05 0 e 0 165 166 >> 201 4.478 2.327 1 U 2.97e+05 0 e 0 165 167 >> 202 2.898 2.745 1 U 7.13e+05 0 e 0 170 169 >> 203 2.900 2.499 1 U 9.45e+04 0 e 0 170 166 >> 204 2.899 2.319 1 U 1.08e+05 0 e 0 170 167 >> 205 2.737 2.502 1 U 3.7e+07 0 e 0 169 166 >> 206 2.739 2.318 1 U 3.7e+07 0 e 0 169 167 >> 207 2.500 2.322 1 U 3.7e+07 0 e 0 166 167 >> 208 2.949 8.331 1 U 4.94e+05 0 e 0 109 108 >> 209 4.702 2.951 1 U 4.56e+05 0 e 0 107 109 >> 210 3.028 8.517 1 U 1.57e+05 0 e 0 31 35 >> 211 2.252 8.460 1 U 2.52e+05 0 e 0 52 53 >> 212 1.210 8.461 1 U 1.69e+05 0 e 0 54 53 >> 213 1.043 8.460 1 U 5.66e+04 0 e 0 55 53 >> 214 1.208 1.044 1 U 6.41e+06 0 e 0 54 55 >> 215 2.254 1.040 1 U 6.72e+04 0 e 0 52 55 >> 216 2.253 1.211 1 U 4.45e+05 0 e 0 52 54 >> 217 3.935 2.242 1 U 1.48e+05 0 e 0 51 52 >> 218 3.938 1.209 1 U 3.44e+05 0 e 0 51 54 >> 219 3.939 1.041 1 U 2.33e+05 0 e 0 51 55 >> 220 2.702 8.604 1 U 1.26e+05 0 e 0 49 48 >> 221 2.417 8.607 1 U 1.68e+05 0 e 0 46 48 >> 222 2.394 8.604 1 U 7.02e+04 0 e 0 47 48 >> 223 4.311 2.707 1 U 1.86e+05 0 e 0 43 50 >> 224 4.312 2.413 1 U -99.8 0 e 0 43 44 >> 225 4.311 2.392 1 U 4.81e+05 0 e 0 43 45 >> 226 2.701 2.412 1 U 3.7e+07 0 e 0 49 46 >> 227 2.700 2.393 1 U 3.7e+07 0 e 0 49 47 >> 228 8.612 8.460 1 U 9.86e+04 0 e 0 48 53 >> 229 4.828 3.304 1 U 1.28e+05 0 e 0 29 40 >> 230 4.931 3.340 1 U 5.42e+04 0 e 0 1 13 >> 231 2.196 7.876 1 U 2.06e+05 0 e 0 87 88 >> 232 1.033 7.878 1 U 2.28e+05 0 e 0 89 88 >> 233 3.805 2.197 1 U 3.78e+05 0 e 0 86 87 >> 234 3.804 1.033 1 U 8.34e+05 0 e 0 86 89 >> 235 2.195 1.034 1 U 6.75e+05 0 e 0 87 89 >> 236 2.196 8.162 1 U 1.54e+05 0 e 0 87 91 >> 237 4.102 8.417 1 U 4.81e+05 0 e 0 67 72 >> 238 1.905 7.751 1 U 4.05e+05 0 e 0 83 82 >> 239 1.083 7.746 1 U -4.27e+05 0 e 0 84 82 >> 240 1.045 7.748 1 U 7.29e+04 0 e 0 85 82 >> 241 1.909 1.086 1 U 1.27e+07 0 e 0 83 84 >> 242 1.909 1.044 1 U 5.48e+05 0 e 0 83 85 >> 243 4.411 1.904 1 U 4.61e+05 0 e 0 81 83 >> 244 4.411 1.085 1 U 3.43e+05 0 e 0 81 84 >> 245 4.408 1.042 1 U 4.58e+05 0 e 0 81 85 >> 246 4.249 2.120 1 U 1.63e+05 0 e 0 74 75 >> 247 4.250 2.080 1 U 3.26e+05 0 e 0 74 76 >> 248 4.250 1.833 1 U -1.42e+05 0 e 0 74 78 >> 249 4.248 1.657 1 U 3.8e+05 0 e 0 74 80 >> 250 3.093 2.114 1 U 1.1e+04 0 e 0 79 75 >> 251 3.086 2.070 1 U 8.98e+04 0 e 0 79 76 >> 252 3.091 1.840 1 U 2.23e+06 0 e 0 79 78 >> 253 3.089 1.664 1 U -428 0 e 0 79 80 >> 254 2.114 1.833 1 U 2.78e+07 0 e 0 75 78 >> 255 2.115 1.658 1 U 2.78e+07 0 e 0 75 80 >> 256 2.081 1.833 1 U 2.78e+07 0 e 0 76 78 >> 257 2.084 1.657 1 U 2.78e+07 0 e 0 76 80 >> 258 2.117 8.067 1 U 3.04e+05 0 e 0 75 77 >> 259 2.085 8.067 1 U 1.71e+05 0 e 0 76 77 >> 260 1.825 8.066 1 U 2.21e+05 0 e 0 78 77 >> 261 1.663 8.068 1 U 9e+04 0 e 0 80 77 >> 262 8.420 8.065 1 U 1.01e+05 0 e 0 72 77 >> 263 8.065 7.749 1 U 1.03e+05 0 e 0 77 82 >> 264 2.500 8.423 1 U 1.39e+05 0 e 0 73 72 >> 265 2.374 8.422 1 U 2.48e+05 0 e 0 68 72 >> 266 2.316 8.419 1 U 1.17e+05 0 e 0 69 72 >> 267 2.316 8.067 1 U 5.35e+05 0 e 0 69 77 >> 268 2.376 8.066 1 U 1.52e+04 0 e 0 68 77 >> 269 2.500 8.066 1 U 5.67e+04 0 e 0 73 77 >> 270 4.103 8.066 1 U 1.16e+07 0 e 0 67 77 >> 271 4.101 2.504 1 U 2.71e+05 0 e 0 67 73 >> 272 4.104 2.374 1 U 9.93e+04 0 e 0 67 68 >> 273 4.103 2.316 1 U 1.15e+05 0 e 0 67 69 >> 274 2.499 2.376 1 U 3.7e+07 0 e 0 73 68 >> 275 2.502 2.311 1 U 3.7e+07 0 e 0 73 69 >> 276 2.373 2.315 1 U 3.7e+07 0 e 0 68 69 >> 277 4.101 1.035 1 U 2.76e+05 0 e 0 67 89 >> 278 4.105 2.197 1 U 1.94e+05 0 e 0 67 87 >> 279 4.409 3.478 1 U 1.5e+03 0 e 0 61 62 >> 280 3.471 3.247 1 U 6.03e+05 0 e 0 62 63 >> 281 8.523 8.424 1 U 8.11e+05 0 e 0 66 72 >> 282 4.407 8.528 1 U 8.19e+04 0 e 0 61 66 >> 283 4.412 8.419 1 U 1.73e+05 0 e 0 61 72 >> 284 8.063 8.528 1 U 1.21e+06 0 e 0 59 66 >> 285 1.209 8.063 1 U 7.59e+04 0 e 0 54 59 >> 286 1.041 8.061 1 U 1.44e+05 0 e 0 55 59 >> 287 4.248 3.394 1 U 2.51e+05 0 e 0 74 92 >> 288 4.419 8.610 1 U 1.07e+05 0 e 0 38 48 >> 289 4.424 2.393 1 U 2.16e+05 0 e 0 32 45 >> 290 4.420 2.414 1 U 3.54e+04 0 e 0 32 44 >> 291 1.704 8.920 1 U 2.89e+05 0 e 0 100 99 >> 292 8.916 8.555 1 U 5.24e+05 0 e 0 99 106 >> 293 4.114 8.554 1 U 1.09e+05 0 e 0 98 106 >> 294 1.704 8.554 1 U 1.82e+05 0 e 0 100 106 >> 295 4.309 2.769 1 U 8.04e+04 0 e 0 101 104 >> 296 4.305 2.663 1 U 1.61e+05 0 e 0 101 105 >> 297 4.308 2.352 1 U 4.89e+05 0 e 0 101 102 >> 298 4.306 2.303 1 U 2.9e+05 0 e 0 101 103 >> 299 2.778 2.656 1 U 1.81e+06 0 e 0 104 105 >> 300 2.778 2.354 1 U 3.7e+07 0 e 0 104 102 >> 301 2.779 2.304 1 U 3.7e+07 0 e 0 104 103 >> 302 2.659 2.351 1 U 3.7e+07 0 e 0 105 102 >> 303 2.659 2.301 1 U 3.7e+07 0 e 0 105 103 >> 304 2.370 2.299 1 U 3.7e+07 0 e 0 102 103 >> 305 2.779 8.552 1 U 2.37e+05 0 e 0 104 106 >> 306 2.658 8.554 1 U 1.78e+05 0 e 0 105 106 >> 307 2.356 8.554 1 U 5.4e+05 0 e 0 102 106 >> 308 2.305 8.554 1 U 1.53e+05 0 e 0 103 106 >> 309 8.547 8.326 1 U 9.78e+04 0 e 0 106 108 >> 310 4.546 2.352 1 U 1.09e+05 0 e 0 90 102 >> 311 4.544 2.304 1 U 6.58e+04 0 e 0 90 103 >> 312 4.486 2.950 1 U 1.67e+05 0 e 0 94 109 >> 313 4.412 3.254 1 U 2e+05 0 e 0 61 63 >> 314 4.409 3.461 1 U 7.34e+05 0 e 0 81 96 >> 315 4.312 3.256 1 U 1.23e+05 0 e 0 43 63 >> 316 4.314 3.478 1 U 5.48e+04 0 e 0 43 62 >> 317 4.283 3.496 1 U 9.84e+04 0 e 0 7 24 >> 318 4.281 3.444 1 U 7.82e+04 0 e 0 7 25 >> 319 4.604 3.030 1 U 1.22e+05 0 e 0 11 31 >> 320 4.424 8.313 1 U 1.28e+05 0 e 0 32 36 >> 321 8.516 8.315 1 U 1.79e+05 0 e 0 35 36 >> 322 4.090 8.233 1 U 4.62e+05 0 e 0 37 39 >> 323 8.309 8.231 1 U 1.04e+06 0 e 0 36 39 >> 324 8.235 8.606 1 U 5.92e+04 0 e 0 39 48 >> 325 3.939 8.063 1 U 8.54e+04 0 e 0 51 59 >> 326 4.382 1.661 1 U 5.63e+05 0 e 0 138 140 >> 327 4.094 2.240 1 U 8.3e+05 0 e 0 37 52 >> 328 4.414 2.119 1 U 4.65e+05 0 e 0 56 75 >> 329 4.414 2.081 1 U 9.11e+04 0 e 0 56 76 >> 330 2.099 8.280 1 U 1.3e+05 0 e 0 129 133 >> 331 2.057 8.279 1 U 2.98e+05 0 e 0 130 133 >> 332 1.708 8.280 1 U 3.06e+05 0 e 0 131 133 >> 333 1.663 8.279 1 U 1.71e+04 0 e 0 132 133 >> 334 4.307 2.103 1 U 1.96e+05 0 e 0 128 129 >> 335 4.308 2.054 1 U 1.66e+05 0 e 0 128 130 >> 336 4.208 2.016 1 U 9.16e+03 0 e 0 15 17 >> 337 4.308 1.878 1 U -1.18e+05 0 e 0 128 134 >> 338 4.309 1.702 1 U -7.1e+06 0 e 0 128 131 >> 339 4.309 1.668 1 U -7.71e+04 0 e 0 128 132 >> 340 3.181 2.102 1 U 4.01e+05 0 e 0 135 129 >> 341 3.179 2.056 1 U 2.72e+05 0 e 0 135 130 >> 342 3.179 1.876 1 U 1.94e+06 0 e 0 135 134 >> 343 3.181 1.705 1 U 4.63e+07 0 e 0 135 131 >> 344 3.182 1.667 1 U -1.05e+07 0 e 0 135 132 >> 345 2.101 1.877 1 U 2.78e+07 0 e 0 129 134 >> 346 2.101 1.667 1 U 2.78e+07 0 e 0 129 132 >> 347 2.058 1.877 1 U 2.78e+07 0 e 0 130 134 >> 348 2.057 1.668 1 U 2.78e+07 0 e 0 130 132 >> 349 3.022 8.279 1 U 6.65e+04 0 e 0 124 133 >> 350 3.118 8.282 1 U 5.3e+04 0 e 0 123 133 >> 351 3.246 8.538 1 U 1.9e+05 0 e 0 63 66 >> 352 3.473 8.536 1 U 3.16e+05 0 e 0 62 66 >> 353 3.392 8.523 1 U 2.78e+05 0 e 0 92 95 >> 354 3.303 8.610 1 U 1.39e+05 0 e 0 40 48 >> 355 3.246 8.420 1 U 6.58e+04 0 e 0 63 72 >> 356 2.500 8.655 1 U 1.1e+05 0 e 0 166 173 >> 357 2.313 8.650 1 U 4.43e+04 0 e 0 167 173 >> 358 2.416 8.459 1 U 2.76e+03 0 e 0 46 53 >> 359 2.390 8.459 1 U 1.3e+05 0 e 0 45 53 >> 360 8.689 8.516 1 U 2.49e+05 0 e 0 30 35 >> 361 4.019 8.515 1 U 9.47e+04 0 e 0 33 35 >> 362 3.936 8.516 1 U 1.45e+05 0 e 0 34 35 >> 363 2.056 8.339 1 U 3.57e+05 0 e 0 111 113 >> 364 0.896 8.339 1 U 2.93e+05 0 e 0 115 113 >> 365 0.974 8.335 1 U 1.75e+05 0 e 0 114 113 >> 366 0.970 0.899 1 U 2.55e+06 0 e 0 114 115 >> 367 2.056 0.977 1 U 4.3e+05 0 e 0 111 114 >> 368 2.058 0.901 1 U 4.14e+05 0 e 0 111 115 >> 369 3.890 2.059 1 U 1.89e+05 0 e 0 110 111 >> 370 3.892 0.979 1 U 2.79e+05 0 e 0 110 114 >> 371 3.890 0.897 1 U 3.58e+05 0 e 0 110 115 >> 372 4.105 0.977 1 U 5.08e+03 0 e 0 98 114 >> 373 4.115 0.899 1 U 6.76e+04 0 e 0 98 115 >> 374 4.111 2.059 1 U 1.7e+05 0 e 0 98 111 >> 375 4.024 8.330 1 U 7.15e+05 0 e 0 117 116 >> 376 4.026 7.989 1 U -166 0 e 0 117 121 >> 377 8.325 7.994 1 U 2.63e+05 0 e 0 116 121 >> 378 2.097 7.677 1 U 6.17e+04 0 e 0 192 198 >> 379 1.083 7.678 1 U 1.05e+05 0 e 0 196 198 >> 380 2.157 7.672 1 U 2.15e+05 0 e 0 142 145 >> 381 1.787 7.670 1 U 1.21e+05 0 e 0 143 145 >> 382 1.461 7.668 1 U 2.2e+05 0 e 0 144 145 >> 383 1.142 7.670 1 U 1.04e+05 0 e 0 149 145 >> 384 1.065 7.670 1 U 5.14e+03 0 e 0 147 145 >> 385 4.096 2.161 1 U 3.48e+05 0 e 0 141 142 >> 386 4.094 1.783 1 U 9.43e+06 0 e 0 141 143 >> 387 4.096 1.457 1 U 2.13e+05 0 e 0 141 144 >> 388 4.094 1.142 1 U 1.68e+05 0 e 0 141 149 >> 389 4.088 1.057 1 U 1.6e+05 0 e 0 141 147 >> 390 2.159 1.783 1 U 2.78e+07 0 e 0 142 143 >> 391 2.163 1.455 1 U 1.88e+05 0 e 0 142 144 >> 392 2.159 1.059 1 U 9.2e+06 0 e 0 142 147 >> 393 1.787 1.457 1 U 1.51e+06 0 e 0 143 144 >> 394 1.785 1.146 1 U 7e+03 0 e 0 143 149 >> 395 1.785 1.057 1 U 3.85e+05 0 e 0 143 147 >> 396 1.459 1.146 1 U 6.41e+06 0 e 0 144 149 >> 397 1.464 1.061 1 U 6.41e+06 0 e 0 144 147 >> 398 2.080 7.917 1 U 2.82e+05 0 e 0 151 154 >> 399 1.825 7.915 1 U 1.57e+05 0 e 0 152 154 >> 400 1.408 7.915 1 U 1.22e+05 0 e 0 153 154 >> 401 1.098 7.917 1 U 9.25e+04 0 e 0 156 154 >> 402 1.030 7.915 1 U 1.32e+05 0 e 0 155 154 >> 403 4.008 2.080 1 U 3.29e+05 0 e 0 150 151 >> 404 4.005 1.827 1 U 2.1e+05 0 e 0 150 152 >> 405 4.001 1.416 1 U 2.58e+05 0 e 0 150 153 >> 406 4.003 1.102 1 U 2.68e+05 0 e 0 150 156 >> 407 3.999 1.038 1 U 1.71e+05 0 e 0 150 155 >> 408 2.076 1.826 1 U 2.78e+07 0 e 0 151 152 >> 409 2.078 1.416 1 U 9.35e+05 0 e 0 151 153 >> 410 2.080 1.096 1 U 6.82e+05 0 e 0 151 156 >> 411 2.076 1.038 1 U 4.68e+04 0 e 0 151 155 >> 412 1.823 1.422 1 U 1.51e+06 0 e 0 152 153 >> 413 1.827 1.096 1 U 1.26e+05 0 e 0 152 156 >> 414 1.825 1.038 1 U 2.39e+05 0 e 0 152 155 >> 415 1.412 1.094 1 U 6.41e+06 0 e 0 153 156 >> 416 1.408 1.038 1 U 6.41e+06 0 e 0 153 155 >> 417 4.001 7.992 1 U 2.54e+05 0 e 0 150 157 >> 418 4.307 2.165 1 U 3.25e+05 0 e 0 128 142 >> 419 4.378 1.784 1 U 1.31e+07 0 e 0 138 143 >> 420 4.377 2.127 1 U 1.54e+05 0 e 0 159 162 >> 421 4.376 7.995 1 U 2.48e+05 0 e 0 159 161 >> 422 2.140 7.994 1 U 2.3e+05 0 e 0 162 161 >> 423 1.957 7.995 1 U 1.71e+05 0 e 0 160 161 >> 424 1.092 7.993 1 U 9.74e+04 0 e 0 163 161 >> 425 1.041 7.991 1 U 1.26e+05 0 e 0 164 161 >> 426 4.380 1.955 1 U 3.23e+04 0 e 0 159 160 >> 427 4.376 1.093 1 U 1.47e+06 0 e 0 159 163 >> 428 4.377 1.040 1 U 2.42e+05 0 e 0 159 164 >> 429 2.135 1.957 1 U 1.07e+06 0 e 0 162 160 >> 430 2.136 1.090 1 U -1.04e+05 0 e 0 162 163 >> 431 2.136 1.041 1 U -9.12e+05 0 e 0 162 164 >> 432 1.954 1.090 1 U -9.22e+05 0 e 0 160 163 >> 433 1.955 1.039 1 U 4.67e+04 0 e 0 160 164 >> 434 4.830 8.513 1 U 1.78e+05 0 e 0 29 35 >> 435 4.381 8.325 1 U 6.52e+04 0 e 0 159 168 >> 436 4.304 8.329 1 U 6.03e+06 0 e 0 101 108 >> 437 4.094 7.994 1 U 1.51e+07 0 e 0 141 157 >> 438 3.891 7.993 1 U 2.71e+04 0 e 0 110 121 >> 439 3.889 8.324 1 U 4.8e+05 0 e 0 110 116 >> 440 3.887 8.161 1 U 7.11e+04 0 e 0 110 127 >> 441 4.280 8.415 1 U -6.47e+05 0 e 0 7 28 >> 442 4.248 7.749 1 U 5.96e+04 0 e 0 74 82 >> 443 4.699 7.992 1 U 1.08e+05 0 e 0 107 121 >> 444 4.669 8.690 1 U 7.3e+05 0 e 0 23 30 >> 445 4.310 8.459 1 U -2.52e+04 0 e 0 43 53 >> 446 4.407 8.298 1 U 1e+05 0 e 0 61 64 >> 447 4.410 7.306 1 U 1.58e+05 0 e 0 61 65 >> 448 7.306 8.297 1 U 2.1e+04 0 e 0 65 64 >> 449 3.473 7.306 1 U 1.27e+05 0 e 0 62 65 >> 450 3.244 7.308 1 U 8.57e+04 0 e 0 63 65 >> 451 4.670 8.571 1 U 2.69e+05 0 e 0 23 26 >> 452 4.672 7.413 1 U 1.61e+06 0 e 0 23 27 >> 453 3.446 7.417 1 U 1.65e+05 0 e 0 25 27 >> 454 3.498 7.417 1 U 1.62e+05 0 e 0 24 27 >> 455 7.414 8.573 1 U 2.96e+04 0 e 0 27 26 >> 456 4.422 8.505 1 U 4.09e+03 0 e 0 56 57 >> 457 4.422 7.386 1 U 1.92e+05 0 e 0 56 58 >> 458 3.399 7.386 1 U 1.3e+05 0 e 0 60 58 >> 459 7.387 8.504 1 U 2.18e+04 0 e 0 58 57 >> 460 4.420 7.236 1 U 2.71e+05 0 e 0 38 41 >> 461 4.419 6.895 1 U 7.81e+04 0 e 0 38 42 >> 462 3.305 7.236 1 U 8.19e+05 0 e 0 40 41 >> 463 3.308 6.893 1 U 1.53e+05 0 e 0 40 42 >> 464 7.237 8.232 1 U 5.68e+04 0 e 0 41 39 >> 465 7.239 6.889 1 U 1.12e+06 0 e 0 41 42 >> 466 4.606 7.372 1 U 1.02e+05 0 e 0 11 14 >> 467 3.343 7.372 1 U 3.99e+05 0 e 0 13 14 >> 468 7.371 8.018 1 U 5.84e+04 0 e 0 14 12 >> 469 4.545 7.345 1 U 2.75e+05 0 e 0 90 93 >> 470 7.338 8.160 1 U 9.53e+04 0 e 0 93 91 >> 471 3.390 7.347 1 U 2.74e+05 0 e 0 92 93 >> 472 4.485 7.427 1 U 3.51e+05 0 e 0 94 97 >> 473 7.424 8.521 1 U 6.29e+04 0 e 0 97 95 >> 474 3.484 7.427 1 U 2.69e+05 0 e 0 96 97 >> 475 4.204 7.370 1 U 2.97e+05 0 e 0 15 14 >> 476 3.321 7.368 1 U 2.82e+04 0 e 0 22 14 >> 477 2.233 7.370 1 U 7.48e+04 0 e 0 10 14 >> 478 4.102 7.382 1 U 7.79e+04 0 e 0 67 58 >> 479 1.090 7.384 1 U 3.31e+04 0 e 0 84 58 >> 480 1.045 7.382 1 U 9.14e+04 0 e 0 85 58 >> 481 4.111 7.423 1 U 1.64e+05 0 e 0 98 97 >> 482 4.544 7.434 1 U 1.11e+05 0 e 0 90 97 >> 483 4.406 7.427 1 U 1.77e+05 0 e 0 81 97 >> 484 3.389 7.429 1 U 4.88e+06 0 e 0 92 97 >> 485 2.947 7.430 1 U 1.23e+05 0 e 0 109 97 >> 486 1.705 7.427 1 U 5.26e+05 0 e 0 100 97 >> 487 1.909 7.427 1 U 4.83e+04 0 e 0 83 97 >> 488 1.903 7.875 1 U 1.53e+05 0 e 0 83 88 >> 489 0.896 7.427 1 U 3.38e+05 0 e 0 112 97 >> 490 0.976 7.427 1 U 2.93e+05 0 e 0 114 97 >> 491 3.475 8.915 1 U 2.08e+05 0 e 0 96 99 >> 492 3.801 8.919 1 U 5e+04 0 e 0 86 99 >> 493 1.036 8.917 1 U 3.06e+04 0 e 0 89 99 >> 494 8.918 7.427 1 U 9.18e+04 0 e 0 99 97 >> 495 4.315 7.234 1 U 1.54e+05 0 e 0 43 41 >> 496 4.831 7.234 1 U 9.83e+04 0 e 0 29 41 >> 497 2.706 7.236 1 U 1.07e+05 0 e 0 50 41 >> 498 3.027 7.234 1 U 1.65e+05 0 e 0 31 41 >> 499 4.488 7.339 1 U 799 0 e 0 94 93 >> 500 4.249 7.343 1 U 1.08e+05 0 e 0 74 93 >> 501 1.032 7.343 1 U 1.1e+05 0 e 0 89 93 >> 502 6.890 8.298 1 U 5.08e+04 0 e 0 42 64 >> 503 7.239 8.296 1 U 4.59e+04 0 e 0 41 64 >> 504 7.235 8.612 1 U 6.16e+04 0 e 0 41 48 >> 505 3.475 7.347 1 U -5.46e+03 0 e 0 96 93 >> 506 2.949 7.345 1 U 5.49e+04 0 e 0 109 93 >> 507 2.505 7.343 1 U 7.01e+04 0 e 0 73 93 >> 508 2.505 6.645 1 U 1.14e+05 0 e 0 73 70 >> 509 2.504 6.394 1 U 6.82e+04 0 e 0 73 71 >> 510 1.026 6.396 1 U 4.13e+04 0 e 0 55 71 >> 511 1.030 6.648 1 U 2.41e+05 0 e 0 55 70 >> 512 7.332 6.643 1 U 1.29e+05 0 e 0 93 70 >> 513 6.644 6.394 1 U 8.04e+05 0 e 0 70 71 >> 514 1.086 7.427 1 U 1.34e+05 0 e 0 84 97 >> 515 1.045 7.425 1 U 2.13e+05 0 e 0 85 97 >> 516 7.422 8.917 1 U 4.33e+05 0 e 0 97 99 >> 517 3.030 7.376 1 U 2.19e+04 0 e 0 31 14 >> 518 2.549 8.020 1 U 2.79e+04 0 e 0 9 12 >> 519 4.606 8.686 1 U -5.09e+03 0 e 0 11 30 >> 520 4.831 8.571 1 U 5.47e+04 0 e 0 29 26 >> 521 4.422 8.571 1 U 9.55e+04 0 e 0 32 26 >> 522 4.829 8.232 1 U 5.42e+05 0 e 0 29 39 >> 523 4.334 3.321 1 U 8.03e+04 0 e 0 4 22 >> 524 4.336 2.030 1 U 9.57e+04 0 e 0 4 16 >> 525 4.335 2.006 1 U 2.92e+05 0 e 0 4 17 >> 526 4.282 7.420 1 U 6.38e+04 0 e 0 7 27 >> 527 2.246 8.021 1 U 1.45e+05 0 e 0 10 12 >> 528 3.323 8.522 1 U 3.1e+05 0 e 0 22 8 >> 529 1.032 8.159 1 U 1.8e+05 0 e 0 185 178 >> 530 1.036 8.295 1 U 1.44e+05 0 e 0 55 64 >> 531 1.036 8.324 1 U 6.19e+04 0 e 0 155 168 >> 532 1.096 8.328 1 U 2.21e+05 0 e 0 156 168 >> 533 1.783 8.326 1 U 9.87e+04 0 e 0 143 168 >> 534 1.206 8.322 1 U 1.07e+05 0 e 0 174 168 >> 535 1.040 8.419 1 U 1.33e+05 0 e 0 55 72 >> 536 1.208 8.419 1 U 6.15e+04 0 e 0 54 72 >> 537 1.045 8.501 1 U 2.5e+04 0 e 0 55 57 >> 538 1.206 8.501 1 U 3.88e+04 0 e 0 54 57 >> 539 1.041 8.528 1 U 1.79e+05 0 e 0 55 66 >> 540 1.032 8.557 1 U 1.43e+04 0 e 0 89 106 >> 541 1.144 7.996 1 U 1.07e+05 0 e 0 149 161 >> 542 1.146 7.915 1 U 6.57e+04 0 e 0 149 154 >> 543 1.905 7.307 1 U 6.54e+04 0 e 0 83 65 >> 544 1.084 7.307 1 U 4.46e+04 0 e 0 84 65 >> 545 1.038 7.307 1 U 1.44e+05 0 e 0 85 65 >> 546 4.100 8.505 1 U 2.09e+05 0 e 0 67 57 >> 547 4.424 1.210 1 U 8.74e+04 0 e 0 56 54 >> 548 4.317 8.693 1 U 1e+05 0 e 0 43 30 >> 549 8.466 8.066 1 U 1.32e+05 0 e 0 53 59 >> 550 2.258 8.066 1 U 3.01e+04 0 e 0 52 59 >> 551 4.416 1.818 1 U -3.95e+05 0 e 0 56 78 >> 552 2.256 8.413 1 U 1.24e+05 0 e 0 52 72 >> 553 4.420 8.454 1 U 2.51e+04 0 e 0 38 53 >> 554 4.100 7.878 1 U 3.68e+05 0 e 0 67 88 >> 555 3.803 1.703 1 U 2.43e+07 0 e 0 86 100 >> 556 1.659 7.670 1 U 1.32e+05 0 e 0 140 145 >> 557 1.659 7.750 1 U 1.19e+05 0 e 0 80 82 >> 558 1.660 8.163 1 U 7.16e+05 0 e 0 80 91 >> 559 4.544 8.555 1 U 1.54e+03 0 e 0 90 106 >> 560 4.546 1.024 1 U 1.66e+05 0 e 0 90 89 >> 561 4.486 0.898 1 U 6.51e+04 0 e 0 94 115 >> 562 4.488 1.030 1 U 7.98e+04 0 e 0 94 89 >> 563 2.359 8.324 1 U 8.74e+05 0 e 0 172 168 >> 564 2.140 8.326 1 U 1.93e+05 0 e 0 162 168 >> 565 1.703 8.332 1 U 8.17e+04 0 e 0 100 108 >> 566 4.024 2.054 1 U 3.29e+05 0 e 0 117 111 >> 567 4.023 0.976 1 U 1.98e+05 0 e 0 117 114 >> 568 4.023 0.900 1 U 1.53e+04 0 e 0 117 115 >> 569 2.076 7.992 1 U 2.52e+05 0 e 0 151 157 >> 570 1.787 7.992 1 U 1.93e+05 0 e 0 148 157 >> 571 1.658 7.994 1 U 4.17e+04 0 e 0 140 157 >> 572 4.961 1.661 1 U 9.29e+04 0 e 0 122 140 >> 573 4.309 1.148 1 U 1.1e+04 0 e 0 128 149 >> 574 4.306 1.050 1 U 7.69e+05 0 e 0 128 147 >> 575 2.160 7.914 1 U 1.03e+05 0 e 0 142 154 >> 576 2.085 8.399 1 U 2.18e+05 0 e 0 151 136 >> 577 1.659 8.395 1 U 5e+04 0 e 0 140 136 >> 578 4.028 2.079 1 U 3.29e+05 0 e 0 137 151 >> 579 4.026 1.658 1 U 7.65e+04 0 e 0 137 140 >> 580 4.380 1.142 1 U 1.22e+04 0 e 0 138 146 >> 581 4.095 2.117 1 U -1.06e+05 0 e 0 141 162 >> 582 4.095 1.950 1 U 4.21e+04 0 e 0 141 160 >> 583 4.095 1.659 1 U 5.11e+04 0 e 0 141 140 >> 584 4.096 1.102 1 U 8.06e+06 0 e 0 141 156 >> 585 1.658 7.919 1 U 2.8e+05 0 e 0 140 154 >> 586 4.005 2.495 1 U 9.6e+04 0 e 0 150 166 >> 587 4.003 2.326 1 U 2.65e+05 0 e 0 150 167 >> 588 4.005 1.781 1 U 1.38e+04 0 e 0 150 143 >> 589 4.005 1.210 1 U 1.32e+05 0 e 0 150 174 >> 590 7.994 8.325 1 U 2.27e+05 0 e 0 161 168 >> 591 4.131 2.308 1 U 3.47e+04 0 e 0 171 182 >> 592 4.131 2.256 1 U 1.47e+05 0 e 0 171 187 >> 593 2.305 8.158 1 U 1.49e+05 0 e 0 182 178 >> 594 1.030 7.859 1 U 1.21e+05 0 e 0 194 183 >> 595 4.101 7.746 1 U 1.38e+06 0 e 0 67 82 >> 596 4.307 7.672 1 U 2.67e+04 0 e 0 128 145 >> 597 8.324 8.161 1 U 1.04e+06 0 e 0 168 178 >> 598 2.307 1.035 1 U 1.5e+05 0 e 0 182 194 >> 599 2.498 1.036 1 U 1.49e+05 0 e 0 73 55 >> 600 2.497 1.210 1 U 1.06e+05 0 e 0 73 54 >> 601 2.663 1.028 1 U 2.15e+05 0 e 0 105 89 >> 602 2.774 1.031 1 U 1.79e+05 0 e 0 104 89 >> 603 3.094 1.048 1 U 1.26e+05 0 e 0 79 85 >> 604 2.949 0.898 1 U 8.37e+04 0 e 0 109 115 >> 605 3.389 1.037 1 U 4.34e+06 0 e 0 92 89 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 H 2 . 6132.234 Hz . . . 4.76 . 2 34440 1 >> 2 . . H 1 H 1 . 6132.234 Hz . . . 4.76 . 1 34440 1 >> >> stop_ >> >>save_ >> ; save_