data_30281 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; An engineered cyclic peptide alleviates symptoms of inflammation in a murine model of inflammatory bowel disease ; _BMRB_accession_number 30281 _BMRB_flat_file_name bmr30281.str _Entry_type original _Submission_date 2017-04-09 _Accession_date 2017-04-09 _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 Daly N. L. . 2 'Cobos Caceres' C. . . 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" 125 "13C chemical shifts" 13 "15N chemical shifts" 18 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-20 update BMRB 'update entry citation' 2017-05-08 original author 'original release' stop_ _Original_release_date 2017-05-04 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; An engineered cyclic peptide alleviates symptoms of inflammation in a murine model of inflammatory bowel disease ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28473469 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Cobos Caceres' Claudia . . 2 Bansal Paramjit S. . 3 Navarro Severine . . 4 Wilson David . . 5 Don Laurianne . . 6 Giacomin Paul . . 7 Loukas Alex . . 8 Daly Norelle L. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 292 _Journal_issue 24 _Journal_ASTM JBCHA3 _Journal_ISSN 1083-351X _Journal_CSD 0071 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10288 _Page_last 10294 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Annexin A1' _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 3049.405 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 25 _Mol_residue_sequence ; AMVSEFLKQAWFIENEEQEY VQTVK ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 MET 3 VAL 4 SER 5 GLU 6 PHE 7 LEU 8 LYS 9 GLN 10 ALA 11 TRP 12 PHE 13 ILE 14 GLU 15 ASN 16 GLU 17 GLU 18 GLN 19 GLU 20 TYR 21 VAL 22 GLN 23 THR 24 VAL 25 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.2 mM Ac 2-26, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CcpNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 1 . mM pH 5 . pH pressure 1 . atm temperature 290 . 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 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H COSY' '2D 1H-1H NOESY' '2D 1H-13C HSQC' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 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 ALA H H 8.296 0.001 1 2 1 1 ALA HA H 4.238 0.000 1 3 1 1 ALA HB H 1.343 0.000 1 4 1 1 ALA CA C 49.893 0.000 1 5 2 2 MET H H 8.473 0.003 1 6 2 2 MET HA H 4.494 0.002 1 7 2 2 MET HB2 H 2.065 0.000 2 8 2 2 MET HB3 H 2.003 0.000 2 9 2 2 MET HG2 H 2.593 0.000 2 10 2 2 MET HG3 H 2.512 0.000 2 11 2 2 MET CA C 52.837 0.000 1 12 2 2 MET N N 119.809 0.016 1 13 3 3 VAL H H 8.194 0.001 1 14 3 3 VAL HA H 4.110 0.000 1 15 3 3 VAL HB H 2.064 0.000 1 16 3 3 VAL HG1 H 0.923 0.000 2 17 3 3 VAL HG2 H 0.923 0.000 2 18 4 4 SER H H 8.373 0.000 1 19 4 4 SER HA H 4.385 0.001 1 20 4 4 SER HB2 H 3.869 0.001 2 21 4 4 SER HB3 H 3.783 0.000 2 22 4 4 SER CA C 55.782 0.000 1 23 4 4 SER CB C 61.075 0.000 1 24 5 5 GLU H H 8.529 0.002 1 25 5 5 GLU HA H 4.162 0.000 1 26 5 5 GLU HB2 H 1.867 0.000 2 27 5 5 GLU HB3 H 1.867 0.000 2 28 5 5 GLU HG2 H 2.115 0.000 2 29 5 5 GLU HG3 H 2.065 0.000 2 30 5 5 GLU N N 123.370 0.015 1 31 6 6 PHE H H 8.130 0.003 1 32 6 6 PHE HA H 4.542 0.000 1 33 6 6 PHE HB2 H 2.985 0.002 2 34 6 6 PHE HB3 H 3.124 0.001 2 35 6 6 PHE HD1 H 7.208 0.000 1 36 6 6 PHE HD2 H 7.208 0.000 1 37 6 6 PHE HE1 H 7.324 0.001 1 38 6 6 PHE HE2 H 7.324 0.001 1 39 6 6 PHE N N 120.169 0.005 1 40 7 7 LEU H H 7.964 0.002 1 41 7 7 LEU HA H 4.240 0.000 1 42 7 7 LEU HB2 H 1.595 0.000 2 43 7 7 LEU HB3 H 1.514 0.000 2 44 7 7 LEU HD1 H 0.899 0.000 2 45 7 7 LEU HD2 H 0.844 0.000 2 46 7 7 LEU N N 122.889 0.016 1 47 8 8 LYS H H 8.098 0.003 1 48 8 8 LYS HA H 4.149 0.000 1 49 8 8 LYS N N 121.960 0.003 1 50 9 9 GLN H H 8.195 0.001 1 51 9 9 GLN HA H 4.180 0.000 1 52 9 9 GLN HB2 H 1.836 0.001 2 53 9 9 GLN HB3 H 1.783 0.005 2 54 9 9 GLN HG2 H 2.264 0.001 2 55 9 9 GLN HG3 H 2.256 0.000 2 56 9 9 GLN HE21 H 7.494 0.001 2 57 9 9 GLN HE22 H 6.852 0.001 2 58 9 9 GLN NE2 N 112.477 0.009 1 59 10 10 ALA H H 8.260 0.001 1 60 10 10 ALA HA H 4.185 0.000 1 61 10 10 ALA HB H 1.284 0.001 1 62 10 10 ALA CA C 50.443 0.000 1 63 10 10 ALA N N 124.678 0.000 1 64 11 11 TRP H H 7.852 0.002 1 65 11 11 TRP HA H 4.578 0.003 1 66 11 11 TRP HB2 H 3.205 0.001 2 67 11 11 TRP HB3 H 3.205 0.001 2 68 11 11 TRP HD1 H 7.136 0.002 1 69 11 11 TRP HE1 H 10.137 0.001 1 70 11 11 TRP HE3 H 7.529 0.000 1 71 11 11 TRP HZ2 H 7.450 0.003 1 72 11 11 TRP HZ3 H 7.131 0.000 1 73 11 11 TRP HH2 H 7.208 0.000 1 74 11 11 TRP N N 118.962 0.016 1 75 11 11 TRP NE1 N 129.667 0.009 1 76 12 12 PHE H H 7.808 0.002 1 77 12 12 PHE HA H 4.469 0.002 1 78 12 12 PHE HB2 H 2.949 0.001 2 79 12 12 PHE HB3 H 2.847 0.001 2 80 12 12 PHE HD1 H 7.116 0.000 1 81 12 12 PHE HD2 H 7.116 0.000 1 82 12 12 PHE HE1 H 7.288 0.000 1 83 12 12 PHE HE2 H 7.288 0.000 1 84 12 12 PHE CA C 55.187 0.000 1 85 12 12 PHE N N 121.545 0.008 1 86 13 13 ILE H H 7.942 0.003 1 87 13 13 ILE HA H 3.995 0.000 1 88 13 13 ILE HB H 1.747 0.000 1 89 13 13 ILE HG12 H 1.427 0.000 2 90 13 13 ILE HG13 H 1.110 0.000 2 91 13 13 ILE HG2 H 0.842 0.000 1 92 13 13 ILE CA C 58.762 0.000 1 93 13 13 ILE N N 123.232 0.009 1 94 15 15 ASN H H 8.372 0.001 1 95 15 15 ASN HA H 4.624 0.000 1 96 15 15 ASN HB2 H 2.754 0.001 2 97 15 15 ASN HB3 H 2.647 0.002 2 98 15 15 ASN HD21 H 7.546 0.001 2 99 15 15 ASN HD22 H 6.883 0.002 2 100 15 15 ASN CA C 51.036 0.000 1 101 15 15 ASN ND2 N 113.296 0.012 1 102 17 17 GLU H H 8.457 0.001 1 103 17 17 GLU HA H 4.225 0.000 1 104 17 17 GLU HB2 H 1.950 0.000 2 105 17 17 GLU HB3 H 2.055 0.000 2 106 17 17 GLU N N 121.672 0.000 1 107 18 18 GLN H H 8.320 0.000 1 108 18 18 GLN HA H 4.252 0.001 1 109 18 18 GLN HB2 H 2.035 0.000 2 110 18 18 GLN HB3 H 1.928 0.000 2 111 18 18 GLN HG2 H 2.293 0.001 2 112 18 18 GLN HG3 H 2.293 0.001 2 113 18 18 GLN HE21 H 7.546 0.001 2 114 18 18 GLN HE22 H 6.869 0.002 2 115 18 18 GLN CA C 53.413 0.000 1 116 18 18 GLN N N 121.143 0.000 1 117 20 20 TYR H H 8.296 0.002 1 118 20 20 TYR HA H 4.563 0.019 1 119 20 20 TYR HB2 H 2.969 0.000 2 120 20 20 TYR HB3 H 2.969 0.000 2 121 20 20 TYR HD1 H 7.073 0.000 1 122 20 20 TYR HD2 H 7.073 0.000 1 123 20 20 TYR HE1 H 6.788 0.000 1 124 20 20 TYR HE2 H 6.788 0.000 1 125 20 20 TYR CA C 54.624 0.000 1 126 20 20 TYR N N 121.967 0.000 1 127 21 21 VAL H H 7.995 0.002 1 128 21 21 VAL HA H 3.990 0.002 1 129 21 21 VAL HB H 1.955 0.000 1 130 21 21 VAL HG1 H 0.883 0.000 2 131 21 21 VAL HG2 H 0.880 0.000 2 132 21 21 VAL CA C 59.417 0.000 1 133 21 21 VAL N N 123.559 0.007 1 134 22 22 GLN H H 8.445 0.000 1 135 22 22 GLN HA H 4.309 0.000 1 136 22 22 GLN HB2 H 2.068 0.000 2 137 22 22 GLN HB3 H 1.957 0.000 2 138 22 22 GLN HG2 H 2.356 0.000 2 139 22 22 GLN HG3 H 2.356 0.000 2 140 22 22 GLN HE21 H 7.616 0.000 2 141 22 22 GLN HE22 H 6.921 0.001 2 142 22 22 GLN N N 124.696 0.000 1 143 22 22 GLN NE2 N 112.839 0.000 1 144 23 23 THR H H 8.281 0.000 1 145 23 23 THR HA H 4.308 0.002 1 146 23 23 THR HB H 4.141 0.003 1 147 23 23 THR HG2 H 1.184 0.000 1 148 23 23 THR CA C 59.364 0.000 1 149 23 23 THR CB C 67.406 0.000 1 150 24 24 VAL H H 8.282 0.001 1 151 24 24 VAL HA H 4.116 0.000 1 152 24 24 VAL HB H 2.059 0.000 1 153 24 24 VAL HG1 H 0.928 0.000 2 154 24 24 VAL HG2 H 0.928 0.000 2 155 25 25 LYS H H 8.062 0.000 1 156 25 25 LYS HA H 4.160 0.000 1 stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details . _Experiment_label '2D 1H-1H TOCSY' _Number_of_spectral_dimensions 1 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 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 30281 >> _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 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 1 >> _Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 1 >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID . >> _Spectral_peak_list.Assigned_chem_shift_list_label . >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 2 >># INAME 1 H >># INAME 2 h >># CYANAFORMAT Hh >> 2 3.870 8.373 1 T 9.400e+05 0.00e+00 a 0 53 49 0 >> 3 4.385 8.372 1 T 1.331e+06 0.00e+00 a 0 51 49 0 >> 4 3.783 8.373 1 T 9.707e+05 0.00e+00 a 0 54 49 0 >> 5 4.162 8.529 1 T 1.659e+06 0.00e+00 a 0 62 60 0 >> 6 4.542 8.128 1 T 1.410e+06 0.00e+00 a 0 78 76 0 >> 7 3.125 8.130 1 T 1.490e+06 0.00e+00 a 0 81 76 0 >> 8 2.983 8.129 1 T 1.843e+06 0.00e+00 a 0 80 76 0 >> 9 2.984 7.322 1 T 4.124e+05 0.00e+00 a 0 80 84 0 >> 10 3.124 7.325 1 T 4.714e+05 0.00e+00 a 0 81 84 0 >> 11 3.124 7.208 1 T 1.061e+06 0.00e+00 a 0 81 83 0 >> 12 2.988 7.208 1 T 1.093e+06 0.00e+00 a 0 80 83 0 >> 13 0.851 4.237 1 T 1.473e+06 0.00e+00 a 0 0 0 0 >> 14 0.907 4.235 1 T 5.598e+05 0.00e+00 a 0 0 0 0 >> 15 1.510 4.237 1 T 1.163e+06 0.00e+00 a 0 0 0 0 >> 16 1.598 4.234 1 T 6.969e+05 0.00e+00 a 0 0 0 0 >> 17 4.243 1.591 1 T 7.743e+05 0.00e+00 a 0 0 0 0 >> 18 4.239 1.513 1 T 2.282e+06 0.00e+00 a 0 0 0 0 >> 19 4.240 7.965 1 T 9.172e+05 0.00e+00 a 0 101 99 0 >> 20 1.595 7.963 1 T 1.644e+06 0.00e+00 a 0 103 99 0 >> 21 1.514 7.963 1 T 2.205e+06 0.00e+00 a 0 104 99 0 >> 22 0.899 7.963 1 T 8.070e+05 0.00e+00 a 0 108 99 0 >> 23 0.844 7.963 1 T 7.171e+05 0.00e+00 a 0 109 99 0 >> 24 1.329 8.098 1 T 4.826e+05 0.00e+00 a 0 0 0 0 >> 25 1.394 8.097 1 T 6.744e+05 0.00e+00 a 0 0 0 0 >> 26 1.626 8.096 1 T 6.094e+05 0.00e+00 a 0 0 0 0 >> 27 1.708 8.096 1 T 1.700e+06 0.00e+00 a 0 0 0 0 >> 28 1.775 8.095 1 T 1.316e+06 0.00e+00 a 0 0 0 0 >> 29 4.149 8.096 1 T 2.037e+06 0.00e+00 a 0 123 121 0 >> 30 7.138 10.138 1 T 6.764e+06 0.00e+00 a 0 189 193 0 >> 31 7.453 10.135 1 T 2.502e+06 0.00e+00 a 0 196 193 0 >> 32 3.206 7.851 1 T 3.234e+06 0.00e+00 a 0 182 176 0 >> 33 4.582 7.850 1 T 1.678e+06 0.00e+00 a 0 178 176 0 >> 34 1.285 8.260 1 T 3.765e+06 0.00e+00 a 0 169 166 0 >> 35 4.185 8.258 1 T 5.958e+06 0.00e+00 a 0 168 166 0 >> 36 4.180 8.195 1 T 2.560e+06 0.00e+00 a 0 149 147 0 >> 37 2.265 8.196 1 T 1.261e+06 0.00e+00 a 0 155 147 0 >> 38 2.256 8.196 1 T 1.277e+06 0.00e+00 a 0 156 147 0 >> 39 1.837 8.195 1 T 1.232e+06 0.00e+00 a 0 151 147 0 >> 40 1.788 8.192 1 T 2.182e+06 0.00e+00 a 0 152 147 0 >> 41 2.263 7.493 1 T 1.534e+06 0.00e+00 a 0 155 161 0 >> 42 2.264 6.851 1 T 9.656e+05 0.00e+00 a 0 155 162 0 >> 43 1.782 7.496 1 T 2.938e+05 0.00e+00 a 0 0 0 0 >> 44 1.820 7.494 1 T 2.594e+05 0.00e+00 a 0 0 0 0 >> 45 1.782 6.856 1 T 1.726e+05 0.00e+00 a 0 0 0 0 >> 46 2.847 7.806 1 T 1.648e+06 0.00e+00 a 0 205 200 0 >> 47 2.950 7.806 1 T 1.436e+06 0.00e+00 a 0 204 200 0 >> 48 2.847 7.288 1 T 7.287e+05 0.00e+00 a 0 205 208 0 >> 49 2.948 7.288 1 T 9.202e+05 0.00e+00 a 0 204 208 0 >> 50 2.848 7.116 1 T 1.659e+06 0.00e+00 a 0 205 207 0 >> 51 2.949 7.116 1 T 1.872e+06 0.00e+00 a 0 204 207 0 >> 52 4.471 7.807 1 T 1.486e+06 0.00e+00 a 0 202 200 0 >> 53 3.995 7.942 1 T 1.052e+06 0.00e+00 a 0 225 223 0 >> 54 0.842 7.942 1 T 1.249e+06 0.00e+00 a 0 228 223 0 >> 55 1.110 7.940 1 T 7.242e+05 0.00e+00 a 0 235 223 0 >> 56 1.282 7.941 1 T 2.521e+05 0.00e+00 a 0 0 0 0 >> 57 1.427 7.941 1 T 8.161e+05 0.00e+00 a 0 234 223 0 >> 58 1.747 7.943 1 T 1.620e+06 0.00e+00 a 0 227 223 0 >> 59 6.788 7.073 1 T 1.658e+07 0.00e+00 a 0 350 349 0 >> 60 2.972 7.074 1 T 3.072e+06 0.00e+00 a 0 0 0 0 >> 61 2.972 6.786 1 T 3.657e+05 0.00e+00 a 0 0 0 0 >> 62 2.969 8.298 1 T 2.645e+06 0.00e+00 a 0 348 342 0 >> 63 4.544 8.294 1 T 1.353e+06 0.00e+00 a 0 344 342 0 >> 64 1.955 7.995 1 T 9.995e+05 0.00e+00 a 0 370 366 0 >> 65 0.883 7.995 1 T 1.370e+06 0.00e+00 a 0 371 366 0 >> 66 0.880 7.995 1 T 8.527e+05 0.00e+00 a 0 372 366 0 >> 67 3.992 7.994 1 T 7.671e+05 0.00e+00 a 0 368 366 0 >> 68 6.922 7.616 1 T 1.674e+07 0.00e+00 a 0 399 398 0 >> 69 6.854 7.494 1 T 2.128e+07 0.00e+00 a 0 162 161 0 >> 70 2.356 8.445 1 T 5.831e+05 0.00e+00 a 0 394 384 0 >> 71 2.068 8.445 1 T 1.361e+06 0.00e+00 a 0 388 384 0 >> 72 1.957 8.446 1 T 2.918e+06 0.00e+00 a 0 389 384 0 >> 73 4.309 8.444 1 T 1.574e+06 0.00e+00 a 0 386 384 0 >> 74 4.143 4.306 1 T 3.556e+06 0.00e+00 a 0 407 405 0 >> 75 4.143 1.184 1 T 9.896e+05 0.00e+00 a 0 407 408 0 >> 76 4.309 1.184 1 T 1.087e+06 0.00e+00 a 0 405 408 0 >> 77 1.184 8.281 1 T 6.416e+05 0.00e+00 a 0 408 403 0 >> 78 4.310 8.281 1 T 5.592e+06 0.00e+00 a 0 405 403 0 >> 79 4.143 8.281 1 T 1.445e+06 0.00e+00 a 0 407 403 0 >> 80 4.116 8.283 1 T 1.901e+06 0.00e+00 a 0 419 417 0 >> 81 2.059 8.282 1 T 9.809e+05 0.00e+00 a 0 421 417 0 >> 82 0.928 8.282 1 T 7.461e+05 0.00e+00 a 0 432 417 0 >> 83 4.160 8.062 1 T 8.636e+04 0.00e+00 a 0 437 435 0 >> 84 6.886 7.547 1 T 4.415e+07 0.00e+00 a 0 271 270 0 >> 85 2.649 8.373 1 T 1.393e+06 0.00e+00 a 0 265 260 0 >> 86 2.752 8.373 1 T 1.040e+06 0.00e+00 a 0 264 260 0 >> 87 4.624 8.372 1 T 2.209e+06 0.00e+00 a 0 262 260 0 >> 88 2.646 7.545 1 T 1.610e+06 0.00e+00 a 0 265 270 0 >> 89 2.754 7.545 1 T 1.184e+06 0.00e+00 a 0 264 270 0 >> 90 2.646 6.881 1 T 7.131e+05 0.00e+00 a 0 265 271 0 >> 91 2.754 6.881 1 T 5.377e+05 0.00e+00 a 0 264 271 0 >> 92 0.923 8.193 1 T 1.663e+06 0.00e+00 a 0 46 31 0 >> 93 2.064 8.195 1 T 1.291e+06 0.00e+00 a 0 35 31 0 >> 94 4.110 8.193 1 T 2.050e+06 0.00e+00 a 0 33 31 0 >> 95 2.003 8.470 1 T 1.209e+06 0.00e+00 a 0 17 12 0 >> 96 2.065 8.473 1 T 9.355e+05 0.00e+00 a 0 16 12 0 >> 97 2.512 8.472 1 T 2.362e+05 0.00e+00 a 0 21 12 0 >> 98 2.593 8.470 1 T 2.618e+05 0.00e+00 a 0 20 12 0 >> 99 4.496 8.472 1 T 6.727e+05 0.00e+00 a 0 14 12 0 >> 100 4.238 8.297 1 T 1.759e+06 0.00e+00 a 0 4 2 0 >> 101 1.343 8.295 1 T 2.113e+06 0.00e+00 a 0 5 2 0 >> 102 4.253 8.321 1 T 2.546e+06 0.00e+00 a 0 309 307 0 >> 103 2.294 8.320 1 T 1.136e+06 0.00e+00 a 0 317 307 0 >> 104 2.035 8.321 1 T 1.606e+06 0.00e+00 a 0 311 307 0 >> 105 1.928 8.320 1 T 2.329e+06 0.00e+00 a 0 312 307 0 >> 106 6.867 7.547 1 T 3.571e+07 0.00e+00 a 0 322 321 0 >> 107 2.293 7.545 1 T 9.204e+05 0.00e+00 a 0 317 321 0 >> 108 2.293 6.870 1 T 5.872e+05 0.00e+00 a 0 317 322 0 >> 109 2.115 8.529 1 T 4.905e+05 0.00e+00 a 0 68 60 0 >> 110 2.065 8.528 1 T 7.899e+05 0.00e+00 a 0 69 60 0 >> 111 1.867 8.529 1 T 1.376e+06 0.00e+00 a 0 66 60 0 >> 112 4.225 8.456 1 T 5.383e+06 0.00e+00 a 0 293 291 0 >> 113 2.261 8.458 1 T 1.083e+06 0.00e+00 a 0 0 0 0 >> 114 2.055 8.457 1 T 2.277e+06 0.00e+00 a 0 296 291 0 >> 115 1.950 8.458 1 T 2.579e+06 0.00e+00 a 0 295 291 0 >> 117 4.576 10.139 1 T 2.818e+05 0.00e+00 a 0 178 193 0 >> 119 8.374 8.527 1 T 4.875e+05 0.00e+00 a 0 0 0 0 >> 120 8.126 8.527 1 T 1.029e+06 0.00e+00 a 0 0 0 0 >> 121 8.195 8.473 1 T 4.590e+05 0.00e+00 a 0 0 0 0 >> 122 8.196 8.372 1 T 7.191e+05 0.00e+00 a 0 0 0 0 >> 123 8.309 8.407 1 T 1.788e+06 0.00e+00 a 0 0 0 0 >> 124 8.292 8.447 1 T 6.519e+05 0.00e+00 a 0 0 0 0 >> 125 8.319 8.457 1 T 1.275e+06 0.00e+00 a 0 0 0 0 >> 126 7.991 8.447 1 T 5.620e+05 0.00e+00 a 0 0 0 0 >> 127 7.944 8.405 1 T 9.944e+05 0.00e+00 a 0 0 0 0 >> 128 7.848 8.259 1 T 1.095e+06 0.00e+00 a 0 0 0 0 >> 129 7.996 8.295 1 T 8.153e+05 0.00e+00 a 0 0 0 0 >> 130 8.105 8.194 1 T 1.191e+06 0.00e+00 a 0 0 0 0 >> 131 8.090 8.194 1 T 9.760e+05 0.00e+00 a 0 0 0 0 >> 132 7.966 8.129 1 T 1.349e+06 0.00e+00 a 0 0 0 0 >> 133 7.965 8.095 1 T 1.075e+06 0.00e+00 a 0 0 0 0 >> 134 7.811 7.942 1 T 7.542e+05 0.00e+00 a 0 0 0 0 >> 135 7.542 8.402 1 T 2.625e+05 0.00e+00 a 0 0 0 0 >> 136 7.543 8.371 1 T 3.242e+05 0.00e+00 a 0 0 0 0 >> 137 7.527 7.850 1 T 4.015e+05 0.00e+00 a 0 0 0 0 >> 138 7.527 7.805 1 T 3.003e+05 0.00e+00 a 0 0 0 0 >> 139 7.109 8.404 1 T 2.845e+05 0.00e+00 a 0 0 0 0 >> 140 7.080 8.296 1 T 5.003e+05 0.00e+00 a 0 0 0 0 >> 141 7.209 8.129 1 T 5.618e+05 0.00e+00 a 0 0 0 0 >> 142 7.210 7.962 1 T 2.949e+05 0.00e+00 a 0 0 0 0 >> 143 7.120 7.941 1 T 4.484e+05 0.00e+00 a 0 0 0 0 >> 144 7.077 7.994 1 T 2.128e+05 0.00e+00 a 0 0 0 0 >> 145 7.133 7.850 1 T 8.237e+05 0.00e+00 a 0 0 0 0 >> 146 7.122 7.807 1 T 9.750e+05 0.00e+00 a 0 0 0 0 >> 147 3.204 10.136 1 T 6.722e+05 0.00e+00 a 0 182 193 0 >> 148 2.259 10.137 1 T 4.172e+05 0.00e+00 a 0 0 0 0 >> 149 1.834 10.138 1 T 2.469e+05 0.00e+00 a 0 151 193 0 >> 150 1.778 10.138 1 T 2.589e+05 0.00e+00 a 0 152 193 0 >> 151 1.283 10.138 1 T 3.070e+05 0.00e+00 a 0 169 193 0 >> 152 3.783 8.529 1 T 3.999e+05 0.00e+00 a 0 0 0 0 >> 153 3.869 8.527 1 T 5.336e+05 0.00e+00 a 0 0 0 0 >> 154 3.991 8.446 1 T 4.352e+06 0.00e+00 a 0 0 0 0 >> 155 3.994 8.402 1 T 5.178e+06 0.00e+00 a 0 0 0 0 >> 156 4.385 8.527 1 T 2.542e+06 0.00e+00 a 0 0 0 0 >> 157 4.635 8.457 1 T 3.712e+05 0.00e+00 a 0 0 0 0 >> 158 4.624 8.406 1 T 3.299e+06 0.00e+00 a 0 0 0 0 >> 159 4.464 8.403 1 T 3.270e+05 0.00e+00 a 0 0 0 0 >> 160 4.487 8.372 1 T 3.154e+05 0.00e+00 a 0 0 0 0 >> 161 4.625 8.323 1 T 2.587e+05 0.00e+00 a 0 0 0 0 >> 162 4.496 8.196 1 T 1.572e+06 0.00e+00 a 0 0 0 0 >> 163 4.384 8.127 1 T 2.905e+05 0.00e+00 a 0 0 0 0 >> 164 4.465 7.943 1 T 2.954e+06 0.00e+00 a 0 0 0 0 >> 165 4.542 7.993 1 T 3.101e+06 0.00e+00 a 0 0 0 0 >> 166 4.544 7.965 1 T 2.488e+06 0.00e+00 a 0 0 0 0 >> 167 4.578 7.805 1 T 3.090e+06 0.00e+00 a 0 0 0 0 >> 168 4.466 7.525 1 T 2.122e+05 0.00e+00 a 0 0 0 0 >> 169 4.581 7.526 1 T 4.008e+05 0.00e+00 a 0 0 0 0 >> 170 4.189 7.848 1 T 3.385e+06 0.00e+00 a 0 0 0 0 >> 171 4.184 7.804 1 T 6.059e+05 0.00e+00 a 0 0 0 0 >> 172 4.174 7.525 1 T 1.928e+05 0.00e+00 a 0 0 0 0 >> 173 4.235 8.095 1 T 2.793e+06 0.00e+00 a 0 0 0 0 >> 174 4.156 8.129 1 T 2.340e+06 0.00e+00 a 0 0 0 0 >> 175 4.138 8.372 1 T 4.668e+06 0.00e+00 a 0 0 0 0 >> 176 4.210 8.321 1 T 3.942e+06 0.00e+00 a 0 0 0 0 >> 177 4.194 8.295 1 T 4.660e+06 0.00e+00 a 0 0 0 0 >> 178 4.247 8.474 1 T 2.083e+06 0.00e+00 a 0 0 0 0 >> 179 3.200 8.261 1 T 2.846e+05 0.00e+00 a 0 0 0 0 >> 180 2.951 8.407 1 T 3.595e+05 0.00e+00 a 0 0 0 0 >> 181 2.758 8.407 1 T 7.257e+05 0.00e+00 a 0 0 0 0 >> 182 2.648 8.403 1 T 8.004e+05 0.00e+00 a 0 0 0 0 >> 183 2.968 7.995 1 T 5.796e+05 0.00e+00 a 0 0 0 0 >> 184 2.846 7.941 1 T 5.916e+05 0.00e+00 a 0 0 0 0 >> 185 2.948 7.942 1 T 6.099e+05 0.00e+00 a 0 0 0 0 >> 186 2.984 7.961 1 T 7.428e+05 0.00e+00 a 0 0 0 0 >> 187 3.125 7.963 1 T 7.009e+05 0.00e+00 a 0 0 0 0 >> 188 3.193 7.942 1 T 2.064e+05 0.00e+00 a 0 0 0 0 >> 190 7.136 10.137 1 T 8.688e+05 0.00e+00 a 0 0 0 0 >> 191 2.352 8.283 1 T 2.439e+05 0.00e+00 a 0 0 0 0 >> 192 2.261 8.258 1 T 6.923e+05 0.00e+00 a 0 0 0 0 >> 193 2.249 8.373 1 T 7.553e+05 0.00e+00 a 0 0 0 0 >> 194 2.056 8.372 1 T 1.208e+06 0.00e+00 a 0 0 0 0 >> 195 2.007 8.372 1 T 1.090e+06 0.00e+00 a 0 0 0 0 >> 196 1.910 8.372 1 T 1.151e+06 0.00e+00 a 0 0 0 0 >> 197 1.741 8.403 1 T 9.611e+05 0.00e+00 a 0 0 0 0 >> 198 1.790 8.259 1 T 8.994e+05 0.00e+00 a 0 0 0 0 >> 199 1.836 8.258 1 T 9.811e+05 0.00e+00 a 0 0 0 0 >> 200 1.997 8.295 1 T 2.581e+06 0.00e+00 a 0 0 0 0 >> 201 1.920 8.294 1 T 1.163e+06 0.00e+00 a 0 0 0 0 >> 202 2.008 8.194 1 T 4.275e+05 0.00e+00 a 0 0 0 0 >> 203 2.062 8.129 1 T 4.246e+05 0.00e+00 a 0 0 0 0 >> 204 1.874 8.129 1 T 7.078e+05 0.00e+00 a 0 0 0 0 >> 205 2.054 8.062 1 T 1.827e+05 0.00e+00 a 0 0 0 0 >> 206 2.264 8.096 1 T 2.546e+05 0.00e+00 a 0 0 0 0 >> 207 2.259 7.941 1 T 2.267e+05 0.00e+00 a 0 0 0 0 >> 208 2.261 7.850 1 T 2.757e+05 0.00e+00 a 0 0 0 0 >> 209 1.918 7.945 1 T 1.868e+05 0.00e+00 a 0 0 0 0 >> 210 1.839 7.848 1 T 2.640e+05 0.00e+00 a 0 0 0 0 >> 211 1.778 7.851 1 T 2.627e+05 0.00e+00 a 0 0 0 0 >> 212 1.763 7.806 1 T 2.179e+05 0.00e+00 a 0 0 0 0 >> 213 1.612 8.195 1 T 3.012e+05 0.00e+00 a 0 0 0 0 >> 214 1.513 8.195 1 T 2.277e+05 0.00e+00 a 0 0 0 0 >> 215 1.513 8.126 1 T 3.419e+05 0.00e+00 a 0 0 0 0 >> 216 1.604 8.127 1 T 2.426e+05 0.00e+00 a 0 0 0 0 >> 217 1.601 8.096 1 T 7.871e+05 0.00e+00 a 0 0 0 0 >> 218 1.513 8.095 1 T 8.118e+05 0.00e+00 a 0 0 0 0 >> 219 1.425 8.402 1 T 3.248e+05 0.00e+00 a 0 0 0 0 >> 220 1.340 8.472 1 T 5.895e+05 0.00e+00 a 0 0 0 0 >> 221 1.294 8.195 1 T 4.516e+05 0.00e+00 a 0 0 0 0 >> 222 1.356 8.196 1 T 2.827e+05 0.00e+00 a 0 0 0 0 >> 223 1.110 8.404 1 T 2.696e+05 0.00e+00 a 0 0 0 0 >> 224 1.283 7.805 1 T 4.647e+05 0.00e+00 a 0 0 0 0 >> 225 1.282 7.852 1 T 1.713e+06 0.00e+00 a 0 0 0 0 >> 226 0.841 7.850 1 T 3.330e+05 0.00e+00 a 0 0 0 0 >> 227 0.842 7.805 1 T 3.689e+05 0.00e+00 a 0 0 0 0 >> 228 0.926 8.061 1 T 4.397e+05 0.00e+00 a 0 0 0 0 >> 229 0.842 8.097 1 T 5.025e+05 0.00e+00 a 0 0 0 0 >> 230 0.904 8.095 1 T 4.936e+05 0.00e+00 a 0 0 0 0 >> 231 0.919 8.129 1 T 4.922e+05 0.00e+00 a 0 0 0 0 >> 232 0.847 8.130 1 T 3.031e+05 0.00e+00 a 0 0 0 0 >> 233 0.844 8.195 1 T 3.392e+05 0.00e+00 a 0 0 0 0 >> 234 0.843 8.260 1 T 4.106e+05 0.00e+00 a 0 0 0 0 >> 235 0.868 8.295 1 T 5.150e+05 0.00e+00 a 0 0 0 0 >> 236 0.843 8.372 1 T 7.459e+05 0.00e+00 a 0 0 0 0 >> 237 0.920 8.372 1 T 1.262e+06 0.00e+00 a 0 0 0 0 >> 238 0.842 8.405 1 T 1.959e+06 0.00e+00 a 0 0 0 0 >> 239 0.919 8.472 1 T 3.499e+05 0.00e+00 a 0 0 0 0 >> 240 0.867 8.449 1 T 1.196e+06 0.00e+00 a 0 0 0 0 >> 241 0.917 8.527 1 T 4.082e+05 0.00e+00 a 0 0 0 0 >> 242 0.844 7.525 1 T 2.090e+05 0.00e+00 a 0 0 0 0 >> 243 0.910 7.525 1 T 1.224e+05 0.00e+00 a 0 0 0 0 >> 244 0.845 7.449 1 T 2.008e+05 0.00e+00 a 0 0 0 0 >> 245 0.907 7.447 1 T 1.806e+05 0.00e+00 a 0 0 0 0 >> 246 0.845 7.323 1 T 5.722e+05 0.00e+00 a 0 0 0 0 >> 247 0.912 7.323 1 T 5.544e+05 0.00e+00 a 0 0 0 0 >> 248 0.841 7.287 1 T 1.596e+06 0.00e+00 a 0 0 0 0 >> 249 0.911 7.284 1 T 9.964e+05 0.00e+00 a 0 0 0 0 >> 250 0.844 7.208 1 T 1.321e+06 0.00e+00 a 0 0 0 0 >> 251 0.912 7.207 1 T 1.286e+06 0.00e+00 a 0 0 0 0 >> 252 0.841 7.121 1 T 1.402e+06 0.00e+00 a 0 0 0 0 >> 253 0.914 7.125 1 T 7.959e+05 0.00e+00 a 0 0 0 0 >> 254 1.106 7.116 1 T 2.348e+05 0.00e+00 a 0 0 0 0 >> 255 0.881 7.078 1 T 2.659e+05 0.00e+00 a 0 0 0 0 >> 256 0.894 6.787 1 T 1.525e+05 0.00e+00 a 0 0 0 0 >> 257 1.283 7.130 1 T 9.136e+05 0.00e+00 a 0 0 0 0 >> 258 1.286 7.211 1 T 4.175e+05 0.00e+00 a 0 0 0 0 >> 259 1.288 7.290 1 T 7.115e+05 0.00e+00 a 0 0 0 0 >> 260 1.286 7.323 1 T 2.240e+05 0.00e+00 a 0 0 0 0 >> 261 1.288 7.524 1 T 2.561e+05 0.00e+00 a 0 0 0 0 >> 262 1.421 7.122 1 T 3.402e+05 0.00e+00 a 0 0 0 0 >> 263 1.509 7.132 1 T 2.902e+05 0.00e+00 a 0 0 0 0 >> 264 1.613 7.127 1 T 2.584e+05 0.00e+00 a 0 0 0 0 >> 265 1.607 7.210 1 T 2.832e+05 0.00e+00 a 0 0 0 0 >> 266 1.513 7.208 1 T 5.158e+05 0.00e+00 a 0 0 0 0 >> 267 1.514 7.325 1 T 2.675e+05 0.00e+00 a 0 0 0 0 >> 268 1.511 7.289 1 T 3.245e+05 0.00e+00 a 0 0 0 0 >> 269 1.610 7.288 1 T 3.797e+05 0.00e+00 a 0 0 0 0 >> 270 2.067 7.285 1 T 5.056e+05 0.00e+00 a 0 0 0 0 >> 271 2.001 7.286 1 T 4.310e+05 0.00e+00 a 0 0 0 0 >> 272 1.921 7.290 1 T 4.097e+05 0.00e+00 a 0 0 0 0 >> 273 1.919 7.545 1 T 3.964e+05 0.00e+00 a 0 0 0 0 >> 274 2.037 7.548 1 T 2.795e+05 0.00e+00 a 0 0 0 0 >> 275 2.068 7.208 1 T 6.064e+05 0.00e+00 a 0 0 0 0 >> 276 2.019 7.209 1 T 3.349e+05 0.00e+00 a 0 0 0 0 >> 277 1.889 7.208 1 T 2.868e+05 0.00e+00 a 0 0 0 0 >> 278 1.772 7.210 1 T 2.709e+05 0.00e+00 a 0 0 0 0 >> 279 1.771 7.130 1 T 4.392e+05 0.00e+00 a 0 0 0 0 >> 280 1.923 7.126 1 T 3.598e+05 0.00e+00 a 0 0 0 0 >> 281 2.011 7.128 1 T 3.839e+05 0.00e+00 a 0 0 0 0 >> 282 2.059 7.129 1 T 4.231e+05 0.00e+00 a 0 0 0 0 >> 283 2.050 7.076 1 T 1.444e+05 0.00e+00 a 0 0 0 0 >> 284 1.927 7.077 1 T 1.922e+05 0.00e+00 a 0 0 0 0 >> 285 1.926 6.879 1 T 3.014e+05 0.00e+00 a 0 0 0 0 >> 286 2.054 6.787 1 T 1.154e+05 0.00e+00 a 0 0 0 0 >> 287 1.942 6.788 1 T 2.297e+05 0.00e+00 a 0 0 0 0 >> 288 2.254 7.292 1 T 6.302e+05 0.00e+00 a 0 0 0 0 >> 289 2.262 7.123 1 T 7.301e+05 0.00e+00 a 0 0 0 0 >> 290 2.262 7.211 1 T 3.969e+05 0.00e+00 a 0 0 0 0 >> 291 3.207 7.294 1 T 2.346e+05 0.00e+00 a 0 0 0 0 >> 292 3.125 7.288 1 T 3.250e+05 0.00e+00 a 0 0 0 0 >> 293 3.199 7.210 1 T 2.919e+05 0.00e+00 a 0 0 0 0 >> 294 3.202 7.117 1 T 7.512e+05 0.00e+00 a 0 0 0 0 >> 296 3.995 7.120 1 T 3.980e+05 0.00e+00 a 0 0 0 0 >> 297 4.175 7.130 1 T 8.813e+05 0.00e+00 a 0 0 0 0 >> 298 4.177 7.112 1 T 7.601e+05 0.00e+00 a 0 0 0 0 >> 299 4.471 7.115 1 T 1.360e+06 0.00e+00 a 0 0 0 0 >> 300 4.575 7.133 1 T 2.178e+06 0.00e+00 a 0 178 189 0 >> 301 4.541 7.075 1 T 1.203e+06 0.00e+00 a 0 0 0 0 >> 302 4.213 7.076 1 T 1.897e+05 0.00e+00 a 0 0 0 0 >> 303 4.140 7.210 1 T 4.067e+05 0.00e+00 a 0 0 0 0 >> 304 4.238 7.209 1 T 4.117e+05 0.00e+00 a 0 0 0 0 >> 305 4.543 7.207 1 T 1.416e+06 0.00e+00 a 0 0 0 0 >> 306 4.545 7.326 1 T 4.448e+05 0.00e+00 a 0 0 0 0 >> 307 4.472 7.292 1 T 5.733e+05 0.00e+00 a 0 0 0 0 >> 308 4.224 7.287 1 T 5.329e+05 0.00e+00 a 0 0 0 0 >> 309 4.166 7.286 1 T 7.391e+05 0.00e+00 a 0 0 0 0 >> 310 4.160 7.319 1 T 4.313e+05 0.00e+00 a 0 0 0 0 >> 311 4.215 7.321 1 T 2.518e+05 0.00e+00 a 0 0 0 0 >> 312 4.468 7.849 1 T 2.531e+05 0.00e+00 a 0 0 0 0 >> 313 4.386 7.963 1 T 2.195e+05 0.00e+00 a 0 0 0 0 >> 314 4.543 6.790 1 T 3.211e+05 0.00e+00 a 0 0 0 0 >> 315 4.207 6.787 1 T 8.240e+04 0.00e+00 a 0 0 0 0 >> 316 4.624 4.234 1 T 2.632e+05 0.00e+00 a 0 0 0 0 >> 318 3.998 2.249 1 T 2.557e+05 0.00e+00 a 0 0 0 0 >> 319 3.992 1.961 1 T 6.172e+05 0.00e+00 a 0 0 0 0 >> 320 3.995 1.747 1 T 8.313e+05 0.00e+00 a 0 0 0 0 >> 321 4.500 2.519 1 T 4.543e+05 0.00e+00 a 0 0 0 0 >> 322 4.497 2.589 1 T 3.086e+05 0.00e+00 a 0 0 0 0 >> 323 4.630 2.641 1 T 1.092e+06 0.00e+00 a 0 0 0 0 >> 324 4.627 2.760 1 T 3.768e+05 0.00e+00 a 0 0 0 0 >> 325 4.469 2.841 1 T 1.322e+06 0.00e+00 a 0 0 0 0 >> 326 4.469 3.203 1 T 3.408e+05 0.00e+00 a 0 0 0 0 >> 327 4.175 3.204 1 T 8.066e+05 0.00e+00 a 0 0 0 0 >> 328 4.118 3.112 1 T 2.848e+05 0.00e+00 a 0 0 0 0 >> 329 3.992 2.954 1 T 2.071e+05 0.00e+00 a 0 0 0 0 >> 330 4.157 2.977 1 T 3.575e+05 0.00e+00 a 0 0 0 0 >> 331 4.149 2.917 1 T 3.191e+05 0.00e+00 a 0 0 0 0 >> 332 4.467 2.949 1 T 1.104e+06 0.00e+00 a 0 0 0 0 >> 333 4.543 2.972 1 T 2.910e+06 0.00e+00 a 0 0 0 0 >> 334 4.545 3.127 1 T 3.992e+05 0.00e+00 a 0 0 0 0 >> 335 4.583 3.200 1 T 4.482e+06 0.00e+00 a 0 0 0 0 >> 336 3.211 1.283 1 T 5.094e+05 0.00e+00 a 0 0 0 0 >> 337 2.908 1.622 1 T 1.433e+06 0.00e+00 a 0 0 0 0 >> 338 2.912 1.387 1 T 3.699e+05 0.00e+00 a 0 0 0 0 >> 339 2.910 1.325 1 T 4.007e+05 0.00e+00 a 0 0 0 0 >> 340 2.977 1.367 1 T -7.684e+04 0.00e+00 a 0 0 0 0 >> 341 2.973 1.668 1 T 1.005e+06 0.00e+00 a 0 0 0 0 >> 342 2.974 1.789 1 T 1.847e+05 0.00e+00 a 0 0 0 0 >> 343 2.919 1.773 1 T 3.391e+05 0.00e+00 a 0 0 0 0 >> 344 2.917 1.714 1 T 3.416e+05 0.00e+00 a 0 0 0 0 >> 345 2.259 1.279 1 T 4.812e+05 0.00e+00 a 0 0 0 0 >> 346 2.506 1.345 1 T 2.485e+05 0.00e+00 a 0 0 0 0 >> 347 2.575 1.345 1 T 2.356e+05 0.00e+00 a 0 0 0 0 >> 348 2.345 1.181 1 T 2.245e+05 0.00e+00 a 0 0 0 0 >> 349 3.995 1.106 1 T 5.116e+05 0.00e+00 a 0 0 0 0 >> 350 3.993 1.420 1 T 3.951e+05 0.00e+00 a 0 0 0 0 >> 351 3.777 0.838 1 T 2.286e+05 0.00e+00 a 0 0 0 0 >> 352 3.864 0.843 1 T 4.367e+05 0.00e+00 a 0 0 0 0 >> 353 4.578 1.282 1 T 3.207e+05 0.00e+00 a 0 0 0 0 >> 354 4.493 1.342 1 T 2.367e+05 0.00e+00 a 0 0 0 0 >> 355 4.387 1.514 1 T 3.992e+05 0.00e+00 a 0 0 0 0 >> 356 4.384 1.598 1 T 2.438e+05 0.00e+00 a 0 0 0 0 >> 357 4.542 1.597 1 T 2.423e+05 0.00e+00 a 0 0 0 0 >> 358 4.544 1.509 1 T 2.605e+05 0.00e+00 a 0 0 0 0 >> 359 4.529 1.182 1 T 2.242e+05 0.00e+00 a 0 0 0 0 >> 360 4.620 2.248 1 T 2.503e+05 0.00e+00 a 0 0 0 0 >> 361 4.551 2.259 1 T 4.896e+05 0.00e+00 a 0 0 0 0 >> 362 4.627 1.924 1 T 3.106e+05 0.00e+00 a 0 0 0 0 >> 363 4.544 1.908 1 T 2.698e+05 0.00e+00 a 0 0 0 0 >> 364 4.544 1.844 1 T 2.301e+05 0.00e+00 a 0 0 0 0 >> 366 0.909 10.136 1 T 3.120e+05 0.00e+00 a 0 0 0 0 >> 367 1.773 7.289 1 T 2.814e+05 0.00e+00 a 0 0 0 0 >> 368 1.838 7.289 1 T 2.999e+05 0.00e+00 a 0 0 0 0 >> 369 0.849 6.863 1 T 1.610e+05 0.00e+00 a 0 0 0 0 >> 370 2.982 4.533 1 T 8.087e+05 0.00e+00 a 0 0 0 0 >> 371 2.947 4.460 1 T 4.390e+05 0.00e+00 a 0 0 0 0 >> 372 2.849 4.463 1 T 4.217e+05 0.00e+00 a 0 0 0 0 >> 373 3.123 4.521 1 T 2.925e+05 0.00e+00 a 0 0 0 0 >> 374 3.206 4.569 1 T 4.133e+05 0.00e+00 a 0 0 0 0 >> 375 3.200 4.181 1 T 2.230e+05 0.00e+00 a 0 0 0 0 >> 376 3.207 4.144 1 T 2.633e+05 0.00e+00 a 0 0 0 0 >> 377 3.113 4.105 1 T 3.113e+05 0.00e+00 a 0 0 0 0 >> 378 2.986 4.105 1 T 2.755e+05 0.00e+00 a 0 0 0 0 >> 379 2.960 3.991 1 T 3.109e+05 0.00e+00 a 0 0 0 0 >> 380 3.785 4.393 1 T 1.033e+06 0.00e+00 a 0 0 0 0 >> 381 3.873 4.394 1 T 9.147e+05 0.00e+00 a 0 0 0 0 >> 382 3.548 3.631 1 T 9.011e+05 0.00e+00 a 0 0 0 0 >> 383 1.923 2.969 1 T 3.111e+05 0.00e+00 a 0 0 0 0 >> 384 2.066 2.969 1 T 2.437e+05 0.00e+00 a 0 0 0 0 >> 385 2.261 2.943 1 T 2.462e+05 0.00e+00 a 0 0 0 0 >> 387 1.286 3.202 1 T 6.206e+05 0.00e+00 a 0 0 0 0 >> 389 0.843 3.202 1 T 5.170e+05 0.00e+00 a 0 0 0 0 >> 390 0.914 3.205 1 T 2.757e+05 0.00e+00 a 0 0 0 0 >> 391 0.920 3.112 1 T 2.942e+05 0.00e+00 a 0 0 0 0 >> 392 0.908 2.976 1 T 3.459e+05 0.00e+00 a 0 0 0 0 >> 393 0.868 2.973 1 T 3.467e+05 0.00e+00 a 0 0 0 0 >> 394 0.915 3.782 1 T 4.234e+05 0.00e+00 a 0 0 0 0 >> 395 0.914 3.867 1 T 4.544e+05 0.00e+00 a 0 0 0 0 >> 396 0.859 3.991 1 T 4.822e+06 0.00e+00 a 0 0 0 0 >> 397 1.113 3.992 1 T 1.109e+06 0.00e+00 a 0 0 0 0 >> 398 1.426 3.995 1 T 9.238e+05 0.00e+00 a 0 0 0 0 >> 399 1.745 3.986 1 T 7.522e+05 0.00e+00 a 0 0 0 0 >> 400 2.058 3.992 1 T 3.677e+05 0.00e+00 a 0 0 0 0 >> 401 2.248 3.992 1 T 5.692e+05 0.00e+00 a 0 0 0 0 >> 402 1.945 3.990 1 T 1.547e+06 0.00e+00 a 0 0 0 0 >> 403 0.929 4.107 1 T 3.980e+06 0.00e+00 a 0 0 0 0 >> 404 0.846 4.153 1 T 7.423e+05 0.00e+00 a 0 0 0 0 >> 405 0.846 4.180 1 T 5.566e+05 0.00e+00 a 0 0 0 0 >> 406 0.919 4.154 1 T 6.056e+05 0.00e+00 a 0 0 0 0 >> 407 1.515 4.158 1 T 2.618e+05 0.00e+00 a 0 0 0 0 >> 408 0.843 2.253 1 T 8.619e+05 0.00e+00 a 0 0 0 0 >> 409 1.287 2.264 1 T 3.968e+05 0.00e+00 a 0 0 0 0 >> 410 1.112 1.746 1 T 8.405e+05 0.00e+00 a 0 0 0 0 >> 411 0.843 1.742 1 T 1.825e+06 0.00e+00 a 0 0 0 0 >> 412 1.113 1.421 1 T 2.976e+06 0.00e+00 a 0 0 0 0 >> 413 0.842 1.279 1 T 1.164e+06 0.00e+00 a 0 0 0 0 >> 414 0.913 1.282 1 T 4.643e+05 0.00e+00 a 0 0 0 0 >> 415 0.913 1.346 1 T 6.309e+05 0.00e+00 a 0 0 0 0 >> 416 0.842 1.428 1 T 2.760e+06 0.00e+00 a 0 0 0 0 >> 417 0.846 1.507 1 T 2.742e+06 0.00e+00 a 0 0 0 0 >> 418 0.904 1.510 1 T 3.664e+06 0.00e+00 a 0 0 0 0 >> 419 0.840 1.586 1 T 1.088e+06 0.00e+00 a 0 0 0 0 >> 420 0.909 1.588 1 T 1.122e+06 0.00e+00 a 0 0 0 0 >> 421 0.839 1.110 1 T 4.374e+06 0.00e+00 a 0 0 0 0 >> 422 7.208 7.447 1 T 3.158e+06 0.00e+00 a 0 197 196 0 >> 423 7.131 7.529 1 T 3.643e+06 0.00e+00 a 0 194 190 0 >> 437 3.786 8.128 1 T 1.826e+05 0.00e+00 a 0 0 0 0 >> 438 3.871 8.129 1 T 2.179e+05 0.00e+00 a 0 0 0 0 >> 439 3.991 8.281 1 T 1.786e+05 0.00e+00 a 0 0 0 0 >> 440 3.993 7.806 1 T 1.799e+05 0.00e+00 a 0 0 0 0 >> 447 7.965 8.192 1 T 1.938e+05 0.00e+00 a 0 0 0 0 >> 449 4.380 7.209 1 T 1.535e+05 0.00e+00 a 0 0 0 0 >> 450 4.315 6.785 1 T 1.372e+05 0.00e+00 a 0 0 0 0 >> 457 3.872 8.194 1 T 8.027e+04 0.00e+00 a 0 0 0 0 >> 458 3.783 8.194 1 T 8.709e+04 0.00e+00 a 0 0 0 0 >> 459 3.785 7.963 1 T 1.199e+05 0.00e+00 a 0 0 0 0 >> 460 3.870 7.963 1 T 9.056e+04 0.00e+00 a 0 0 0 0 >> 476 0.911 7.849 1 T 1.663e+05 0.00e+00 a 0 0 0 0 >> 477 0.909 7.806 1 T 1.373e+05 0.00e+00 a 0 0 0 0 >> 488 1.320 2.905 1 T 4.185e+05 0.00e+00 a 0 0 0 0 >> 489 1.401 2.910 1 T 5.802e+05 0.00e+00 a 0 0 0 0 >> 491 0.841 2.854 1 T 2.104e+05 0.00e+00 a 0 0 0 0 >> 492 0.846 2.902 1 T 1.371e+05 0.00e+00 a 0 0 0 0 >> 493 0.915 2.902 1 T 1.029e+05 0.00e+00 a 0 0 0 0 >> 494 0.843 2.937 1 T 2.696e+05 0.00e+00 a 0 0 0 0 >> 496 3.203 7.805 1 T 1.507e+06 0.00e+00 a 0 0 0 0 >> 498 0.840 10.137 1 T 6.090e+05 0.00e+00 a 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 >> >> 2 . . H 1 H 2 aliased 11.98 ppm . . . 4.69 . . 30281 1 >> >> stop_ >> >>save_ >> ; save_