data_30222 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of the major species of DANCER-2, a dynamic and natively folded pentamutant of the B1 domain of streptococcal protein G (GB1) ; _BMRB_accession_number 30222 _BMRB_flat_file_name bmr30222.str _Entry_type original _Submission_date 2016-12-22 _Accession_date 2016-12-22 _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 Damry A. M. . 2 Davey J. A. . 3 Goto N. K. . 4 Chica R. A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 271 "13C chemical shifts" 230 "15N chemical shifts" 61 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-30 update BMRB 'update entry citation' 2017-08-16 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 30220 NERD-C 30221 NERD-S 30223 'minor species of DANCER-2' stop_ _Original_release_date 2017-02-02 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Rational design of proteins that exchange on functional timescales. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29058725 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Davey J. A. . 2 Damry A. M. . 3 Goto N. K. . 4 Chica R. A. . stop_ _Journal_abbreviation 'Nat. Chem. Biol.' _Journal_name_full 'Nature chemical biology' _Journal_volume 13 _Journal_issue 12 _Journal_ISSN 1552-4469 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1280 _Page_last 1285 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Immunoglobulin G-binding protein G' _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 6233.827 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 56 _Mol_residue_sequence ; MTFKAIINGKTLKGETTTEA VDAATAEKVFKQYFNDNGLD GEWTYDDATKTFTVTE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 PHE 4 LYS 5 ALA 6 ILE 7 ILE 8 ASN 9 GLY 10 LYS 11 THR 12 LEU 13 LYS 14 GLY 15 GLU 16 THR 17 THR 18 THR 19 GLU 20 ALA 21 VAL 22 ASP 23 ALA 24 ALA 25 THR 26 ALA 27 GLU 28 LYS 29 VAL 30 PHE 31 LYS 32 GLN 33 TYR 34 PHE 35 ASN 36 ASP 37 ASN 38 GLY 39 LEU 40 ASP 41 GLY 42 GLU 43 TRP 44 THR 45 TYR 46 ASP 47 ASP 48 ALA 49 THR 50 LYS 51 THR 52 PHE 53 THR 54 VAL 55 THR 56 GLU 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 'Streptococcus sp. GX7805' 1325 Bacteria . Streptococcus 'Streptococcus sp. GX7805' spg stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21-Gold(DE3) plasmid pJ414 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '200 uM [U-98% 15N] protein (GB1), 10 mM sodium phosphate, 100 uM EDTA, 0.02 % sodium azide, 90% H2O, 10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EDTA 100 uM 'natural abundance' $entity_1 200 uM '[U-98% 15N]' 'sodium azide' 0.02 % 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '200 uM [U-99% 13C; U-98% 15N] protein (GB1), 10 mM sodium phosphate, 100 uM EDTA, 0.02 % sodium azide, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EDTA 100 uM 'natural abundance' $entity_1 200 uM '[U-99% 13C; U-98% 15N]' 'sodium azide' 0.02 % 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '200 uM [U-99% 13C; U-98% 15N] protein (GB1), 10 mM sodium phosphate, 100 uM EDTA, 0.02 % sodium azide, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling EDTA 100 uM 'natural abundance' $entity_1 200 uM '[U-99% 13C; U-98% 15N]' 'sodium azide' 0.02 % 'natural abundance' 'sodium phosphate' 10 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 NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 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 'AVANCE III HD' _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_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_3 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_CCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_3 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_13 _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' 10 . mM pH 7.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio 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 '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D CCH-TOCSY' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-15N TOCSY' '2D 1H-13C HSQC' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 $sample_3 $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 MET H H 8.4000 0.0000 1 2 1 1 MET HA H 4.6900 0.0000 1 3 1 1 MET HB2 H 1.9180 0.0000 2 4 1 1 MET HG2 H 2.3480 0.0000 2 5 1 1 MET C C 174.2760 0.0000 1 6 1 1 MET CA C 54.5960 0.0000 1 7 1 1 MET CB C 35.2660 0.0000 1 8 1 1 MET CG C 31.7940 0.0000 1 9 1 1 MET N N 120.1280 0.0000 1 10 2 2 THR H H 8.1190 0.0000 1 11 2 2 THR HA H 4.8000 0.0000 1 12 2 2 THR HB H 3.9100 0.0000 1 13 2 2 THR HG2 H 1.2120 0.0000 1 14 2 2 THR C C 174.2750 0.0000 1 15 2 2 THR CA C 63.4740 0.0000 1 16 2 2 THR CB C 69.3030 0.0000 1 17 2 2 THR CG2 C 21.8900 0.0000 1 18 2 2 THR N N 116.9900 0.0000 1 19 3 3 PHE H H 9.3690 0.0000 1 20 3 3 PHE HA H 5.3740 0.0000 1 21 3 3 PHE HB2 H 3.3970 0.0000 2 22 3 3 PHE HB3 H 2.9400 0.0000 2 23 3 3 PHE C C 174.5430 0.0000 1 24 3 3 PHE CA C 57.0620 0.0000 1 25 3 3 PHE CB C 44.1570 0.0000 1 26 3 3 PHE N N 126.1500 0.0000 1 27 4 4 LYS H H 8.9310 0.0000 1 28 4 4 LYS HA H 5.4100 0.0000 1 29 4 4 LYS HB2 H 2.0100 0.0000 2 30 4 4 LYS HB3 H 1.9020 0.0000 2 31 4 4 LYS HG2 H 1.5140 0.0000 2 32 4 4 LYS HG3 H 1.4110 0.0000 2 33 4 4 LYS HD2 H 1.6480 0.0000 2 34 4 4 LYS HE2 H 2.7870 0.0000 2 35 4 4 LYS C C 173.9960 0.0000 1 36 4 4 LYS CA C 54.6970 0.0000 1 37 4 4 LYS CB C 36.4910 0.0000 1 38 4 4 LYS CG C 25.4710 0.0000 1 39 4 4 LYS CD C 29.0160 0.0000 1 40 4 4 LYS CE C 41.8100 0.0000 1 41 4 4 LYS N N 121.7550 0.0000 1 42 5 5 ALA H H 8.7710 0.0000 1 43 5 5 ALA HA H 5.4250 0.0000 1 44 5 5 ALA HB H 0.1450 0.0000 1 45 5 5 ALA C C 175.3560 0.0000 1 46 5 5 ALA CA C 50.0370 0.0000 1 47 5 5 ALA CB C 18.6530 0.0000 1 48 5 5 ALA N N 125.6120 0.0000 1 49 6 6 ILE H H 9.0460 0.0000 1 50 6 6 ILE HA H 4.3540 0.0000 1 51 6 6 ILE HB H 1.9250 0.0000 1 52 6 6 ILE HG12 H 1.4780 0.0000 2 53 6 6 ILE HG13 H 1.1380 0.0000 2 54 6 6 ILE HG2 H 0.8660 0.0000 1 55 6 6 ILE HD1 H 0.8160 0.0000 1 56 6 6 ILE C C 174.4450 0.0000 1 57 6 6 ILE CA C 60.3270 0.0000 1 58 6 6 ILE CB C 39.3170 0.0000 1 59 6 6 ILE CG1 C 27.6040 0.0000 1 60 6 6 ILE CG2 C 17.1510 0.0000 1 61 6 6 ILE CD1 C 12.9890 0.0000 1 62 6 6 ILE N N 122.9700 0.0000 1 63 7 7 ILE H H 8.6210 0.0000 1 64 7 7 ILE HA H 4.2120 0.0000 1 65 7 7 ILE HB H 1.4820 0.0000 1 66 7 7 ILE HG12 H 1.2020 0.0000 2 67 7 7 ILE HG13 H 0.7410 0.0000 2 68 7 7 ILE HG2 H 0.3710 0.0000 1 69 7 7 ILE HD1 H 0.0070 0.0000 1 70 7 7 ILE C C 174.7780 0.0000 1 71 7 7 ILE CA C 59.9650 0.0000 1 72 7 7 ILE CB C 38.7410 0.0000 1 73 7 7 ILE CG1 C 27.3880 0.0000 1 74 7 7 ILE CG2 C 17.8040 0.0000 1 75 7 7 ILE CD1 C 13.6290 0.0000 1 76 7 7 ILE N N 126.0660 0.0000 1 77 8 8 ASN H H 8.8960 0.0000 1 78 8 8 ASN HA H 5.2430 0.0000 1 79 8 8 ASN HB2 H 2.9370 0.0000 2 80 8 8 ASN HB3 H 2.5160 0.0000 2 81 8 8 ASN HD21 H 7.2280 0.0000 2 82 8 8 ASN HD22 H 6.8070 0.0000 2 83 8 8 ASN C C 175.4870 0.0000 1 84 8 8 ASN CA C 51.0410 0.0000 1 85 8 8 ASN CB C 37.9840 0.0000 1 86 8 8 ASN N N 128.8540 0.0000 1 87 8 8 ASN ND2 N 111.3050 0.0000 1 88 9 9 GLY H H 7.8940 0.0000 1 89 9 9 GLY HA2 H 4.5160 0.0000 2 90 9 9 GLY HA3 H 4.1150 0.0000 2 91 9 9 GLY C C 173.7300 0.0000 1 92 9 9 GLY CA C 44.7800 0.0000 1 93 9 9 GLY N N 110.1820 0.0000 1 94 10 10 LYS H H 9.2290 0.0000 1 95 10 10 LYS HA H 4.1130 0.0000 1 96 10 10 LYS HB2 H 1.8390 0.0000 2 97 10 10 LYS HG2 H 1.4450 0.0000 2 98 10 10 LYS HD2 H 1.6300 0.0000 2 99 10 10 LYS HE2 H 2.9810 0.0000 2 100 10 10 LYS C C 178.8940 0.0000 1 101 10 10 LYS CA C 58.9590 0.0000 1 102 10 10 LYS CB C 32.4530 0.0000 1 103 10 10 LYS CG C 25.5880 0.0000 1 104 10 10 LYS CD C 29.0730 0.0000 1 105 10 10 LYS CE C 41.9300 0.0000 1 106 10 10 LYS N N 120.7090 0.0000 1 107 11 11 THR H H 8.8250 0.0000 1 108 11 11 THR HA H 4.3780 0.0000 1 109 11 11 THR HB H 4.2230 0.0000 1 110 11 11 THR HG1 H 1.1450 0.0000 1 111 11 11 THR HG2 H 1.1990 0.0000 1 112 11 11 THR C C 173.8810 0.0000 1 113 11 11 THR CA C 62.0430 0.0000 1 114 11 11 THR CB C 69.7650 0.0000 1 115 11 11 THR CG2 C 21.8190 0.0000 1 116 11 11 THR N N 109.5140 0.0000 1 117 12 12 LEU H H 7.6050 0.0000 1 118 12 12 LEU HA H 4.4640 0.0000 1 119 12 12 LEU HB2 H 1.5680 0.0000 2 120 12 12 LEU HB3 H 1.4810 0.0000 2 121 12 12 LEU HG H 1.4390 0.0000 1 122 12 12 LEU HD1 H 0.8840 0.0000 2 123 12 12 LEU C C 173.7750 0.0000 1 124 12 12 LEU CA C 55.0260 0.0000 1 125 12 12 LEU CB C 43.7990 0.0000 1 126 12 12 LEU CG C 27.0680 0.0000 1 127 12 12 LEU CD1 C 24.5830 0.0000 2 128 12 12 LEU N N 125.0570 0.0000 1 129 13 13 LYS H H 8.0680 0.0000 1 130 13 13 LYS HA H 5.1520 0.0000 1 131 13 13 LYS HB2 H 1.9250 0.0000 2 132 13 13 LYS HB3 H 1.7610 0.0000 2 133 13 13 LYS HG2 H 1.4580 0.0000 2 134 13 13 LYS HD2 H 1.7870 0.0000 2 135 13 13 LYS HD3 H 1.6960 0.0000 2 136 13 13 LYS HE2 H 3.0140 0.0000 2 137 13 13 LYS HE3 H 2.9350 0.0000 2 138 13 13 LYS C C 176.3290 0.0000 1 139 13 13 LYS CA C 53.8630 0.0000 1 140 13 13 LYS CB C 35.2940 0.0000 1 141 13 13 LYS CG C 25.1800 0.0000 1 142 13 13 LYS CD C 29.0890 0.0000 1 143 13 13 LYS CE C 42.3780 0.0000 1 144 13 13 LYS N N 122.2820 0.0000 1 145 14 14 GLY H H 8.3470 0.0000 1 146 14 14 GLY HA2 H 4.1980 0.0000 2 147 14 14 GLY HA3 H 3.7750 0.0000 2 148 14 14 GLY C C 171.6010 0.0000 1 149 14 14 GLY CA C 45.0890 0.0000 1 150 14 14 GLY N N 109.5810 0.0000 1 151 15 15 GLU H H 8.4430 0.0000 1 152 15 15 GLU HA H 5.5430 0.0000 1 153 15 15 GLU HB2 H 2.0880 0.0000 2 154 15 15 GLU HG2 H 2.1800 0.0000 2 155 15 15 GLU C C 174.8010 0.0000 1 156 15 15 GLU CA C 54.9390 0.0000 1 157 15 15 GLU CB C 33.6340 0.0000 1 158 15 15 GLU CG C 36.1540 0.0000 1 159 15 15 GLU N N 119.0870 0.0000 1 160 16 16 THR H H 8.8390 0.0000 1 161 16 16 THR HA H 4.8150 0.0000 1 162 16 16 THR HB H 4.2250 0.0000 1 163 16 16 THR HG2 H 1.2110 0.0000 1 164 16 16 THR C C 172.0150 0.0000 1 165 16 16 THR CA C 60.8810 0.0000 1 166 16 16 THR CB C 69.7860 0.0000 1 167 16 16 THR CG2 C 21.6920 0.0000 1 168 16 16 THR N N 116.7310 0.0000 1 169 17 17 THR H H 7.9950 0.0000 1 170 17 17 THR HA H 5.9320 0.0000 1 171 17 17 THR HB H 4.3430 0.0000 1 172 17 17 THR HG2 H 1.2350 0.0000 1 173 17 17 THR C C 174.0300 0.0000 1 174 17 17 THR CA C 59.9460 0.0000 1 175 17 17 THR CB C 73.0640 0.0000 1 176 17 17 THR CG2 C 21.3840 0.0000 1 177 17 17 THR N N 113.3300 0.0000 1 178 18 18 THR H H 9.0240 0.0000 1 179 18 18 THR HA H 4.6430 0.0000 1 180 18 18 THR HB H 3.8040 0.0000 1 181 18 18 THR HG2 H 0.4620 0.0000 1 182 18 18 THR C C 171.0730 0.0000 1 183 18 18 THR CA C 62.1970 0.0000 1 184 18 18 THR CB C 69.8420 0.0000 1 185 18 18 THR CG2 C 18.3860 0.0000 1 186 18 18 THR N N 115.4430 0.0000 1 187 19 19 GLU H H 7.9500 0.0000 1 188 19 19 GLU HA H 5.5030 0.0000 1 189 19 19 GLU HB2 H 1.8720 0.0000 2 190 19 19 GLU HG2 H 2.1070 0.0000 2 191 19 19 GLU C C 176.2460 0.0000 1 192 19 19 GLU CA C 54.7340 0.0000 1 193 19 19 GLU CB C 31.1750 0.0000 1 194 19 19 GLU CG C 36.5210 0.0000 1 195 19 19 GLU N N 124.5530 0.0000 1 196 20 20 ALA H H 9.3420 0.0000 1 197 20 20 ALA HA H 4.9090 0.0000 1 198 20 20 ALA HB H 1.3130 0.0000 1 199 20 20 ALA C C 177.3280 0.0000 1 200 20 20 ALA CA C 50.9390 0.0000 1 201 20 20 ALA CB C 23.3790 0.0000 1 202 20 20 ALA N N 125.2760 0.0000 1 203 21 21 VAL H H 8.4590 0.0000 1 204 21 21 VAL HA H 4.1600 0.0000 1 205 21 21 VAL HB H 2.1680 0.0000 1 206 21 21 VAL HG1 H 0.9670 0.0000 2 207 21 21 VAL HG2 H 0.9670 0.0000 2 208 21 21 VAL C C 174.7780 0.0000 1 209 21 21 VAL CA C 63.7100 0.0000 1 210 21 21 VAL CB C 32.0810 0.0000 1 211 21 21 VAL CG1 C 20.0880 0.0000 2 212 21 21 VAL CG2 C 20.9280 0.0000 2 213 21 21 VAL N N 114.2730 0.0000 1 214 22 22 ASP H H 7.2510 0.0000 1 215 22 22 ASP HA H 4.6720 0.0000 1 216 22 22 ASP HB2 H 3.0490 0.0000 2 217 22 22 ASP C C 174.2330 0.0000 1 218 22 22 ASP CA C 52.5450 0.0000 1 219 22 22 ASP CB C 42.3370 0.0000 1 220 22 22 ASP N N 113.5010 0.0000 1 221 23 23 ALA H H 8.6490 0.0000 1 222 23 23 ALA HA H 3.1520 0.0000 1 223 23 23 ALA HB H 1.1410 0.0000 1 224 23 23 ALA C C 179.0580 0.0000 1 225 23 23 ALA CA C 54.7700 0.0000 1 226 23 23 ALA CB C 17.6090 0.0000 1 227 23 23 ALA N N 121.9770 0.0000 1 228 24 24 ALA H H 8.1130 0.0000 1 229 24 24 ALA HA H 3.9960 0.0000 1 230 24 24 ALA HB H 1.3010 0.0000 1 231 24 24 ALA C C 180.9200 0.0000 1 232 24 24 ALA CA C 54.8080 0.0000 1 233 24 24 ALA CB C 17.9300 0.0000 1 234 24 24 ALA N N 120.7730 0.0000 1 235 25 25 THR H H 8.2900 0.0000 1 236 25 25 THR HA H 3.7170 0.0000 1 237 25 25 THR HB H 4.0290 0.0000 1 238 25 25 THR HG2 H 1.2290 0.0000 1 239 25 25 THR C C 175.9890 0.0000 1 240 25 25 THR CA C 66.7570 0.0000 1 241 25 25 THR CB C 67.8610 0.0000 1 242 25 25 THR CG2 C 21.1300 0.0000 1 243 25 25 THR N N 116.2370 0.0000 1 244 26 26 ALA H H 7.3520 0.0000 1 245 26 26 ALA HA H 3.1130 0.0000 1 246 26 26 ALA HB H 0.5590 0.0000 1 247 26 26 ALA C C 177.1100 0.0000 1 248 26 26 ALA CA C 54.9000 0.0000 1 249 26 26 ALA CB C 17.5210 0.0000 1 250 26 26 ALA N N 123.6890 0.0000 1 251 27 27 GLU H H 8.3630 0.0000 1 252 27 27 GLU HA H 2.8010 0.0000 1 253 27 27 GLU HB2 H 2.0190 0.0000 2 254 27 27 GLU HB3 H 1.8410 0.0000 2 255 27 27 GLU HG2 H 1.6160 0.0000 2 256 27 27 GLU C C 177.2720 0.0000 1 257 27 27 GLU CA C 59.6920 0.0000 1 258 27 27 GLU CB C 29.4600 0.0000 1 259 27 27 GLU CG C 35.8080 0.0000 1 260 27 27 GLU N N 116.6230 0.0000 1 261 28 28 LYS H H 6.9070 0.0000 1 262 28 28 LYS HA H 3.7270 0.0000 1 263 28 28 LYS HB2 H 1.8390 0.0000 2 264 28 28 LYS HG2 H 1.5410 0.0000 2 265 28 28 LYS HG3 H 1.3340 0.0000 2 266 28 28 LYS HD2 H 1.6220 0.0000 2 267 28 28 LYS HE2 H 2.8940 0.0000 2 268 28 28 LYS C C 179.7200 0.0000 1 269 28 28 LYS CA C 59.4170 0.0000 1 270 28 28 LYS CB C 32.2530 0.0000 1 271 28 28 LYS CG C 25.1270 0.0000 1 272 28 28 LYS CD C 29.1700 0.0000 1 273 28 28 LYS CE C 41.8430 0.0000 1 274 28 28 LYS N N 116.4760 0.0000 1 275 29 29 VAL H H 7.4440 0.0000 1 276 29 29 VAL HA H 3.5630 0.0000 1 277 29 29 VAL HB H 1.7270 0.0000 1 278 29 29 VAL HG1 H 0.8730 0.0000 2 279 29 29 VAL HG2 H 0.7140 0.0000 2 280 29 29 VAL C C 179.7860 0.0000 1 281 29 29 VAL CA C 66.2070 0.0000 1 282 29 29 VAL CB C 31.5470 0.0000 1 283 29 29 VAL CG1 C 21.8060 0.0000 2 284 29 29 VAL CG2 C 20.4710 0.0000 2 285 29 29 VAL N N 120.9040 0.0000 1 286 30 30 PHE H H 8.4530 0.0000 1 287 30 30 PHE HA H 4.5870 0.0000 1 288 30 30 PHE HB2 H 2.6640 0.0000 2 289 30 30 PHE HD1 H 6.5770 0.0000 3 290 30 30 PHE HE1 H 7.0650 0.0000 3 291 30 30 PHE C C 177.8760 0.0000 1 292 30 30 PHE CA C 58.1550 0.0000 1 293 30 30 PHE CB C 37.9360 0.0000 1 294 30 30 PHE CD1 C 130.6870 0.0000 3 295 30 30 PHE CE1 C 130.4150 0.0000 3 296 30 30 PHE N N 119.8810 0.0000 1 297 31 31 LYS H H 9.0230 0.0000 1 298 31 31 LYS HA H 4.0340 0.0000 1 299 31 31 LYS HB2 H 1.7050 0.0000 2 300 31 31 LYS HB3 H 1.6180 0.0000 2 301 31 31 LYS HG2 H 0.9470 0.0000 2 302 31 31 LYS HG3 H 0.7560 0.0000 2 303 31 31 LYS HD2 H 1.2270 0.0000 2 304 31 31 LYS HD3 H 1.1670 0.0000 2 305 31 31 LYS HE2 H 2.0550 0.0000 2 306 31 31 LYS HE3 H 1.9510 0.0000 2 307 31 31 LYS C C 179.1790 0.0000 1 308 31 31 LYS CA C 60.2130 0.0000 1 309 31 31 LYS CB C 31.9690 0.0000 1 310 31 31 LYS CG C 26.2080 0.0000 1 311 31 31 LYS CD C 29.1680 0.0000 1 312 31 31 LYS CE C 41.2120 0.0000 1 313 31 31 LYS N N 121.0170 0.0000 1 314 32 32 GLN H H 7.5120 0.0000 1 315 32 32 GLN HA H 4.0420 0.0000 1 316 32 32 GLN HB2 H 2.2020 0.0000 2 317 32 32 GLN HG2 H 2.4090 0.0000 2 318 32 32 GLN HE21 H 7.8710 0.0000 2 319 32 32 GLN HE22 H 6.8540 0.0000 2 320 32 32 GLN C C 177.1700 0.0000 1 321 32 32 GLN CA C 58.6560 0.0000 1 322 32 32 GLN CB C 28.2120 0.0000 1 323 32 32 GLN CG C 33.5630 0.0000 1 324 32 32 GLN N N 118.6180 0.0000 1 325 32 32 GLN NE2 N 114.8380 0.0000 1 326 33 33 TYR H H 7.9290 0.0000 1 327 33 33 TYR HA H 4.3000 0.0000 1 328 33 33 TYR HB2 H 3.2370 0.0000 2 329 33 33 TYR HD1 H 6.7200 0.0000 3 330 33 33 TYR HE1 H 6.6110 0.0000 3 331 33 33 TYR C C 178.7450 0.0000 1 332 33 33 TYR CA C 61.5070 0.0000 1 333 33 33 TYR CB C 38.1400 0.0000 1 334 33 33 TYR CD1 C 132.9160 0.0000 3 335 33 33 TYR CE1 C 118.0710 0.0000 3 336 33 33 TYR N N 120.5960 0.0000 1 337 34 34 PHE H H 9.0830 0.0000 1 338 34 34 PHE HB2 H 3.5330 0.0000 2 339 34 34 PHE HD1 H 7.2440 0.0000 3 340 34 34 PHE HE1 H 7.0640 0.0000 3 341 34 34 PHE C C 178.3370 0.0000 1 342 34 34 PHE CA C 61.5890 0.0000 1 343 34 34 PHE CB C 37.4020 0.0000 1 344 34 34 PHE CD1 C 130.4130 0.0000 3 345 34 34 PHE CE1 C 131.3480 0.0000 3 346 34 34 PHE N N 119.7300 0.0000 1 347 35 35 ASN H H 8.5510 0.0000 1 348 35 35 ASN HA H 4.5550 0.0000 1 349 35 35 ASN HB2 H 2.9210 0.0000 2 350 35 35 ASN HD21 H 7.6810 0.0000 2 351 35 35 ASN HD22 H 6.9690 0.0000 2 352 35 35 ASN C C 178.9440 0.0000 1 353 35 35 ASN CA C 56.7480 0.0000 1 354 35 35 ASN CB C 38.8060 0.0000 1 355 35 35 ASN N N 119.7090 0.0000 1 356 35 35 ASN ND2 N 111.9720 0.0000 1 357 36 36 ASP H H 8.7290 0.0000 1 358 36 36 ASP HA H 4.4390 0.0000 1 359 36 36 ASP HB2 H 2.7730 0.0000 2 360 36 36 ASP C C 177.0930 0.0000 1 361 36 36 ASP CA C 56.6940 0.0000 1 362 36 36 ASP CB C 40.1650 0.0000 1 363 36 36 ASP N N 120.9510 0.0000 1 364 37 37 ASN H H 7.4230 0.0000 1 365 37 37 ASN HA H 4.6900 0.0000 1 366 37 37 ASN HB2 H 3.4540 0.0000 2 367 37 37 ASN HD21 H 6.7370 0.0000 2 368 37 37 ASN HD22 H 6.4810 0.0000 2 369 37 37 ASN C C 174.3330 0.0000 1 370 37 37 ASN CA C 53.7880 0.0000 1 371 37 37 ASN CB C 39.9940 0.0000 1 372 37 37 ASN N N 115.5710 0.0000 1 373 37 37 ASN ND2 N 114.3220 0.0000 1 374 38 38 GLY H H 7.8380 0.0000 1 375 38 38 GLY HA2 H 3.9330 0.0000 2 376 38 38 GLY C C 173.9750 0.0000 1 377 38 38 GLY CA C 46.7650 0.0000 1 378 38 38 GLY N N 108.5490 0.0000 1 379 39 39 LEU H H 8.0750 0.0000 1 380 39 39 LEU HA H 4.5610 0.0000 1 381 39 39 LEU HB2 H 1.3680 0.0000 2 382 39 39 LEU HG H 1.3360 0.0000 1 383 39 39 LEU HD1 H 1.2480 0.0000 2 384 39 39 LEU C C 175.0860 0.0000 1 385 39 39 LEU CA C 54.1310 0.0000 1 386 39 39 LEU CB C 44.3210 0.0000 1 387 39 39 LEU CG C 27.2480 0.0000 1 388 39 39 LEU CD1 C 24.3970 0.0000 2 389 39 39 LEU N N 121.4610 0.0000 1 390 40 40 ASP H H 8.5010 0.0000 1 391 40 40 ASP HA H 4.1650 0.0000 1 392 40 40 ASP HB2 H 3.5150 0.0000 2 393 40 40 ASP C C 174.5620 0.0000 1 394 40 40 ASP CA C 53.316 0.0000 1 395 40 40 ASP CB C 43.1980 0.0000 1 396 40 40 ASP N N 122.9190 0.0000 1 397 41 41 GLY H H 8.2160 0.0000 1 398 41 41 GLY HA2 H 4.1450 0.0000 2 399 41 41 GLY HA3 H 3.6670 0.0000 2 400 41 41 GLY C C 171.9500 0.0000 1 401 41 41 GLY CA C 45.0630 0.0000 1 402 41 41 GLY N N 106.4850 0.0000 1 403 42 42 GLU H H 8.3360 0.0000 1 404 42 42 GLU HA H 4.3360 0.0000 1 405 42 42 GLU HB2 H 2.4480 0.0000 2 406 42 42 GLU HB3 H 2.3840 0.0000 2 407 42 42 GLU HG2 H 1.9180 0.0000 2 408 42 42 GLU HG3 H 1.8350 0.0000 2 409 42 42 GLU C C 176.7530 0.0000 1 410 42 42 GLU CA C 56.0610 0.0000 1 411 42 42 GLU CB C 31.1110 0.0000 1 412 42 42 GLU CG C 34.3470 0.0000 1 413 42 42 GLU N N 120.0310 0.0000 1 414 43 43 TRP H H 9.1500 0.0000 1 415 43 43 TRP HA H 5.1610 0.0000 1 416 43 43 TRP HB2 H 3.2540 0.0000 2 417 43 43 TRP HB3 H 3.1860 0.0000 2 418 43 43 TRP HD1 H 7.4970 0.0000 1 419 43 43 TRP HE1 H 10.4550 0.0000 1 420 43 43 TRP HE3 H 7.4780 0.0000 1 421 43 43 TRP HZ2 H 7.1180 0.0000 1 422 43 43 TRP HZ3 H 6.5800 0.0000 1 423 43 43 TRP HH2 H 6.3720 0.0000 1 424 43 43 TRP C C 176.9360 0.0000 1 425 43 43 TRP CA C 57.7310 0.0000 1 426 43 43 TRP CB C 30.0580 0.0000 1 427 43 43 TRP CD1 C 126.8170 0.0000 1 428 43 43 TRP CE3 C 119.5970 0.0000 1 429 43 43 TRP CZ2 C 114.1500 0.0000 1 430 43 43 TRP CZ3 C 123.4150 0.0000 1 431 43 43 TRP CH2 C 120.0540 0.0000 1 432 43 43 TRP N N 127.2060 0.0000 1 433 43 43 TRP NE1 N 130.9500 0.0000 1 434 44 44 THR H H 9.1070 0.0000 1 435 44 44 THR HA H 4.8260 0.0000 1 436 44 44 THR HB H 4.2630 0.0000 1 437 44 44 THR HG2 H 1.2390 0.0000 1 438 44 44 THR C C 172.8360 0.0000 1 439 44 44 THR CA C 60.7440 0.0000 1 440 44 44 THR CB C 71.7840 0.0000 1 441 44 44 THR CG2 C 21.9010 0.0000 1 442 44 44 THR N N 115.3180 0.0000 1 443 45 45 TYR H H 8.7150 0.0000 1 444 45 45 TYR HA H 4.9440 0.0000 1 445 45 45 TYR HB2 H 2.9430 0.0000 2 446 45 45 TYR HB3 H 2.5770 0.0000 2 447 45 45 TYR HD1 H 7.7810 0.0000 3 448 45 45 TYR HE1 H 6.8410 0.0000 3 449 45 45 TYR C C 173.2500 0.0000 1 450 45 45 TYR CA C 57.0380 0.0000 1 451 45 45 TYR CB C 41.5500 0.0000 1 452 45 45 TYR CD1 C 132.6650 0.0000 3 453 45 45 TYR CE1 C 117.3380 0.0000 3 454 45 45 TYR N N 122.0240 0.0000 1 455 46 46 ASP H H 7.5640 0.0000 1 456 46 46 ASP HA H 4.5930 0.0000 1 457 46 46 ASP HB2 H 2.6080 0.0000 2 458 46 46 ASP HB3 H 2.2650 0.0000 2 459 46 46 ASP C C 174.4810 0.0000 1 460 46 46 ASP CA C 51.9010 0.0000 1 461 46 46 ASP CB C 43.0950 0.0000 1 462 46 46 ASP N N 128.4860 0.0000 1 463 47 47 ASP H H 8.5320 0.0000 1 464 47 47 ASP HA H 4.1400 0.0000 1 465 47 47 ASP HB2 H 2.8180 0.0000 2 466 47 47 ASP HB3 H 2.5200 0.0000 2 467 47 47 ASP C C 178.0540 0.0000 1 468 47 47 ASP CA C 56.1400 0.0000 1 469 47 47 ASP CB C 42.0860 0.0000 1 470 47 47 ASP N N 124.9990 0.0000 1 471 48 48 ALA H H 8.2900 0.0000 1 472 48 48 ALA HA H 4.0980 0.0000 1 473 48 48 ALA HB H 1.4960 0.0000 1 474 48 48 ALA C C 179.8520 0.0000 1 475 48 48 ALA CA C 55.0160 0.0000 1 476 48 48 ALA CB C 18.3240 0.0000 1 477 48 48 ALA N N 119.7480 0.0000 1 478 49 49 THR H H 6.9830 0.0000 1 479 49 49 THR HA H 4.3920 0.0000 1 480 49 49 THR HB H 4.4000 0.0000 1 481 49 49 THR HG2 H 1.0830 0.0000 1 482 49 49 THR C C 175.3970 0.0000 1 483 49 49 THR CA C 60.3460 0.0000 1 484 49 49 THR CB C 70.0760 0.0000 1 485 49 49 THR CG2 C 21.1350 0.0000 1 486 49 49 THR N N 103.1930 0.0000 1 487 50 50 LYS H H 7.8390 0.0000 1 488 50 50 LYS HA H 4.2100 0.0000 1 489 50 50 LYS HB2 H 1.9700 0.0000 2 490 50 50 LYS HB3 H 1.9650 0.0000 2 491 50 50 LYS HG2 H 1.2050 0.0000 2 492 50 50 LYS HD2 H 1.4850 0.0000 2 493 50 50 LYS HD3 H 1.3290 0.0000 2 494 50 50 LYS HE2 H 2.9820 0.0000 2 495 50 50 LYS HE3 H 2.9240 0.0000 2 496 50 50 LYS C C 174.9240 0.0000 1 497 50 50 LYS CA C 56.7250 0.0000 1 498 50 50 LYS CB C 29.3190 0.0000 1 499 50 50 LYS CG C 24.5930 0.0000 1 500 50 50 LYS CD C 28.3440 0.0000 1 501 50 50 LYS CE C 42.6530 0.0000 1 502 50 50 LYS N N 123.8050 0.0000 1 503 51 51 THR H H 7.3090 0.0000 1 504 51 51 THR HA H 5.6210 0.0000 1 505 51 51 THR HB H 3.8050 0.0000 1 506 51 51 THR HG2 H 1.0290 0.0000 1 507 51 51 THR C C 174.9140 0.0000 1 508 51 51 THR CA C 61.8770 0.0000 1 509 51 51 THR CB C 72.3110 0.0000 1 510 51 51 THR CG2 C 20.9180 0.0000 1 511 51 51 THR N N 110.8470 0.0000 1 512 52 52 PHE H H 10.2590 0.0000 1 513 52 52 PHE HA H 5.7130 0.0000 1 514 52 52 PHE HB2 H 3.1080 0.0000 2 515 52 52 PHE HB3 H 3.0070 0.0000 2 516 52 52 PHE HD1 H 7.7600 0.0000 3 517 52 52 PHE HE1 H 7.2220 0.0000 3 518 52 52 PHE C C 174.9980 0.0000 1 519 52 52 PHE CA C 57.1610 0.0000 1 520 52 52 PHE CB C 41.5420 0.0000 1 521 52 52 PHE CD1 C 132.7270 0.0000 3 522 52 52 PHE CE1 C 131.2290 0.0000 3 523 52 52 PHE N N 130.6180 0.0000 1 524 53 53 THR H H 9.1210 0.0000 1 525 53 53 THR HA H 4.9660 0.0000 1 526 53 53 THR HB H 3.8420 0.0000 1 527 53 53 THR HG2 H 0.9930 0.0000 1 528 53 53 THR C C 172.9110 0.0000 1 529 53 53 THR CA C 62.2980 0.0000 1 530 53 53 THR CB C 70.4420 0.0000 1 531 53 53 THR CG2 C 20.7090 0.0000 1 532 53 53 THR N N 118.7300 0.0000 1 533 54 54 VAL H H 8.5030 0.0000 1 534 54 54 VAL HA H 4.3720 0.0000 1 535 54 54 VAL HB H 0.8180 0.0000 1 536 54 54 VAL HG1 H -0.1520 0.0000 2 537 54 54 VAL HG2 H -0.8350 0.0000 2 538 54 54 VAL C C 174.5850 0.0000 1 539 54 54 VAL CA C 59.7870 0.0000 1 540 54 54 VAL CB C 32.2860 0.0000 1 541 54 54 VAL CG1 C 19.6360 0.0000 2 542 54 54 VAL CG2 C 18.7680 0.0000 2 543 54 54 VAL N N 127.2720 0.0000 1 544 55 55 THR H H 8.5540 0.0000 1 545 55 55 THR HA H 4.7280 0.0000 1 546 55 55 THR HB H 3.9770 0.0000 1 547 55 55 THR HG2 H 1.2520 0.0000 1 548 55 55 THR C C 173.8060 0.0000 1 549 55 55 THR CA C 61.2830 0.0000 1 550 55 55 THR CB C 70.6090 0.0000 1 551 55 55 THR CG2 C 21.3320 0.0000 1 552 55 55 THR N N 123.4900 0.0000 1 553 56 56 GLU H H 7.8310 0.0000 1 554 56 56 GLU HA H 4.2040 0.0000 1 555 56 56 GLU HB2 H 2.1310 0.0000 2 556 56 56 GLU HB3 H 1.9190 0.0000 2 557 56 56 GLU HG2 H 2.3850 0.0000 2 558 56 56 GLU HG3 H 2.3120 0.0000 2 559 56 56 GLU CA C 58.3000 0.0000 1 560 56 56 GLU CB C 32.5810 0.0000 1 561 56 56 GLU CG C 36.9680 0.0000 1 562 56 56 GLU N N 133.4640 0.0000 1 stop_ save_ save_spectral_peak_list_1 _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_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 30222 >> _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 '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 . >> _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 3 >># INAME 1 H >># INAME 2 N >># INAME 3 h >># CYANAFORMAT HNh >> 1 8.900 128.965 8.899 1 T 2.086e+02 0.00e+00 a 0 - - - >> 2 8.907 128.898 7.854 1 T 4.246e+00 0.00e+00 a 0 - - - >> 3 8.903 128.983 5.261 1 T 9.778e+00 0.00e+00 a 0 - - - >> 4 8.901 128.967 4.181 1 T 3.760e+01 0.00e+00 a 0 - - - >> 5 8.902 128.933 3.931 1 T 9.963e+00 0.00e+00 a 0 - - - >> 6 8.900 128.956 2.513 1 T 7.541e+00 0.00e+00 a 0 - - - >> 7 8.902 128.982 0.832 1 T 7.964e+00 0.00e+00 a 0 - - - >> 8 8.902 128.982 0.648 1 T 7.964e+00 0.00e+00 a 0 - - - >> 9 8.902 128.993 0.392 1 T 4.232e+00 0.00e+00 a 0 - - - >> 10 8.903 129.020 0.075 1 T 4.071e+00 0.00e+00 a 0 - - - >> 11 8.902 128.994 -0.184 1 T 3.883e+00 0.00e+00 a 0 - - - >> 12 8.902 128.933 2.943 1 T 9.963e+00 0.00e+00 a 0 - - - >> 13 8.903 129.020 0.075 1 T 4.071e+00 0.00e+00 a 0 - - - >> 14 8.903 128.935 4.726 1 T 6.956e+00 0.00e+00 a 0 - - - >> 15 10.456 130.952 10.456 1 T 1.403e+02 0.00e+00 a 0 - - - >> 16 10.456 130.954 10.663 1 T 2.353e+01 0.00e+00 a 0 - - - >> 17 10.452 130.945 7.125 1 T 4.982e+00 0.00e+00 a 0 - - - >> 18 10.457 130.954 7.456 1 T 2.353e+01 0.00e+00 a 0 - - - >> 19 10.256 130.785 10.260 1 T 4.196e+01 0.00e+00 a 0 - - - >> 20 10.262 130.770 7.733 1 T 6.375e+00 0.00e+00 a 0 - - - >> 21 10.257 130.778 5.597 1 T 2.363e+01 0.00e+00 a 0 - - - >> 22 10.250 130.771 3.011 1 T 7.567e+00 0.00e+00 a 0 - - - >> 23 10.258 130.759 5.409 1 T 7.840e+00 0.00e+00 a 0 - - - >> 24 10.256 130.759 0.997 1 T 7.840e+00 0.00e+00 a 0 - - - >> 25 10.257 130.759 10.478 1 T 7.840e+00 0.00e+00 a 0 - - - >> 26 7.819 133.447 7.816 1 T 1.492e+02 0.00e+00 a 0 - - - >> 27 7.821 133.436 4.726 1 T 3.139e+01 0.00e+00 a 0 - - - >> 28 7.820 133.461 4.157 1 T 5.616e+00 0.00e+00 a 0 - - - >> 29 7.823 133.443 2.118 1 T 8.757e+00 0.00e+00 a 0 - - - >> 30 7.821 133.454 1.900 1 T 1.037e+01 0.00e+00 a 0 - - - >> 31 7.820 133.463 1.233 1 T 8.226e+00 0.00e+00 a 0 - - - >> 32 7.822 133.455 2.401 1 T 2.986e+00 0.00e+00 a 0 - - - >> 33 7.820 133.454 4.027 1 T 1.037e+01 0.00e+00 a 0 - - - >> 34 7.823 133.461 4.519 1 T 2.616e+00 0.00e+00 a 0 - - - >> 35 9.160 127.403 9.160 1 T 1.186e+02 0.00e+00 a 0 - - - >> 36 9.162 127.421 7.478 1 T 1.249e+01 0.00e+00 a 0 - - - >> 37 9.161 127.397 5.158 1 T 3.650e+00 0.00e+00 a 0 - - - >> 38 9.161 127.414 4.726 1 T 3.462e+01 0.00e+00 a 0 - - - >> 39 9.160 127.416 3.185 1 T 2.284e+01 0.00e+00 a 0 - - - >> 40 9.159 127.425 2.314 1 T 2.556e+00 0.00e+00 a 0 - - - >> 41 9.160 127.400 1.918 1 T 5.774e+00 0.00e+00 a 0 - - - >> 42 9.165 127.335 8.336 1 T 2.469e+00 0.00e+00 a 0 - - - >> 43 9.371 126.278 9.006 1 T 1.057e+01 0.00e+00 a 0 - - - >> 44 9.368 126.290 9.362 1 T 1.528e+02 0.00e+00 a 0 - - - >> 45 9.377 126.403 8.064 1 T 2.184e+00 0.00e+00 a 0 - - - >> 46 9.368 126.302 7.342 1 T 1.338e+01 0.00e+00 a 0 - - - >> 47 9.379 126.261 7.080 1 T 2.967e+00 0.00e+00 a 0 - - - >> 48 9.369 126.294 5.419 1 T 1.127e+01 0.00e+00 a 0 - - - >> 49 9.369 126.301 4.756 1 T 9.988e+00 0.00e+00 a 0 - - - >> 50 9.370 126.394 4.380 1 T 1.905e+00 0.00e+00 a 0 - - - >> 51 9.375 126.372 3.900 1 T 3.012e+00 0.00e+00 a 0 - - - >> 52 9.371 126.283 3.398 1 T 5.285e+00 0.00e+00 a 0 - - - >> 53 9.368 126.296 2.939 1 T 1.149e+01 0.00e+00 a 0 - - - >> 54 9.365 126.381 1.869 1 T 2.193e+00 0.00e+00 a 0 - - - >> 55 9.366 126.289 1.199 1 T 1.598e+01 0.00e+00 a 0 - - - >> 56 9.372 126.263 0.502 1 T 3.915e+00 0.00e+00 a 0 - - - >> 57 9.345 125.378 9.348 1 T 1.859e+02 0.00e+00 a 0 - - - >> 58 9.346 125.390 8.410 1 T 1.272e+01 0.00e+00 a 0 - - - >> 59 9.348 125.363 7.386 1 T 1.118e+01 0.00e+00 a 0 - - - >> 60 9.344 125.382 5.465 1 T 5.123e+01 0.00e+00 a 0 - - - >> 61 9.341 125.354 5.217 1 T 2.644e+00 0.00e+00 a 0 - - - >> 62 9.347 125.397 4.893 1 T 8.247e+00 0.00e+00 a 0 - - - >> 63 9.351 125.387 3.807 1 T 3.281e+00 0.00e+00 a 0 - - - >> 64 9.342 125.406 2.099 1 T 4.298e+00 0.00e+00 a 0 - - - >> 65 9.344 125.377 1.849 1 T 8.914e+00 0.00e+00 a 0 - - - >> 66 9.343 125.348 1.305 1 T 1.078e+01 0.00e+00 a 0 - - - >> 67 9.344 125.367 0.476 1 T 2.409e+00 0.00e+00 a 0 - - - >> 68 8.773 125.798 8.777 1 T 6.045e+01 0.00e+00 a 0 - - - >> 69 8.774 125.809 1.204 1 T 2.779e+00 0.00e+00 a 0 - - - >> 70 8.773 125.806 5.384 1 T 1.726e+01 0.00e+00 a 0 - - - >> 71 8.774 125.896 8.999 1 T 3.848e+00 0.00e+00 a 0 - - - >> 72 8.774 125.839 1.442 1 T 4.208e+00 0.00e+00 a 0 - - - >> 73 8.773 125.806 0.126 1 T 6.462e+00 0.00e+00 a 0 - - - >> 74 8.776 125.809 5.930 1 T 2.779e+00 0.00e+00 a 0 - - - >> 75 8.771 125.896 1.954 1 T 3.848e+00 0.00e+00 a 0 - - - >> 76 8.770 125.823 9.322 1 T 1.190e+01 0.00e+00 a 0 - - - >> 77 8.615 126.168 8.611 1 T 1.877e+02 0.00e+00 a 0 - - - >> 78 8.614 126.165 5.517 1 T 1.159e+01 0.00e+00 a 0 - - - >> 79 8.615 126.168 4.327 1 T 6.731e+01 0.00e+00 a 0 - - - >> 80 8.610 126.155 1.909 1 T 4.196e+00 0.00e+00 a 0 - - - >> 81 8.615 126.177 0.430 1 T 2.313e+01 0.00e+00 a 0 - - - >> 82 8.615 126.159 1.158 1 T 1.025e+01 0.00e+00 a 0 - - - >> 83 8.614 126.182 0.813 1 T 1.731e+01 0.00e+00 a 0 - - - >> 84 8.615 126.177 1.447 1 T 2.313e+01 0.00e+00 a 0 - - - >> 85 8.614 126.155 9.047 1 T 4.196e+00 0.00e+00 a 0 - - - >> 86 8.618 126.124 5.039 1 T 1.851e+00 0.00e+00 a 0 - - - >> 87 8.616 126.165 8.547 1 T 1.159e+01 0.00e+00 a 0 - - - >> 88 8.505 127.438 8.905 1 T 3.341e+00 0.00e+00 a 0 - - - >> 89 8.507 127.440 8.500 1 T 1.008e+02 0.00e+00 a 0 - - - >> 90 8.504 127.435 4.938 1 T 2.425e+01 0.00e+00 a 0 - - - >> 91 8.511 127.648 5.345 1 T 2.575e+00 0.00e+00 a 0 - - - >> 92 8.512 127.461 4.348 1 T 5.002e+00 0.00e+00 a 0 - - - >> 93 8.498 127.458 3.840 1 T 2.840e+00 0.00e+00 a 0 - - - >> 94 8.505 127.391 1.882 1 T 2.235e+00 0.00e+00 a 0 - - - >> 95 8.505 127.451 0.943 1 T 9.849e+00 0.00e+00 a 0 - - - >> 96 8.512 127.455 0.074 1 T 2.833e+00 0.00e+00 a 0 - - - >> 97 8.510 127.443 -0.205 1 T 5.146e+00 0.00e+00 a 0 - - - >> 98 8.506 127.499 -0.513 1 T 2.291e+00 0.00e+00 a 0 - - - >> 99 8.503 127.449 -0.859 1 T 4.601e+00 0.00e+00 a 0 - - - >> 100 8.511 127.648 5.345 1 T 2.575e+00 0.00e+00 a 0 - - - >> 101 8.511 127.648 5.345 1 T 2.575e+00 0.00e+00 a 0 - - - >> 102 8.511 127.648 5.345 1 T 2.575e+00 0.00e+00 a 0 - - - >> 103 8.508 127.499 5.350 1 T 2.291e+00 0.00e+00 a 0 - - - >> 104 7.563 128.590 7.578 1 T 1.413e+02 0.00e+00 a 0 - - - >> 105 7.563 128.602 7.287 1 T 2.228e+00 0.00e+00 a 0 - - - >> 106 7.568 128.589 5.724 1 T 4.223e+00 0.00e+00 a 0 - - - >> 107 7.564 128.595 4.917 1 T 3.680e+01 0.00e+00 a 0 - - - >> 108 7.568 128.576 4.621 1 T 7.261e+00 0.00e+00 a 0 - - - >> 109 7.567 128.567 2.940 1 T 3.608e+00 0.00e+00 a 0 - - - >> 110 7.563 128.584 2.584 1 T 1.984e+01 0.00e+00 a 0 - - - >> 111 7.563 128.585 2.263 1 T 1.020e+01 0.00e+00 a 0 - - - >> 112 7.565 128.605 1.002 1 T 2.131e+00 0.00e+00 a 0 - - - >> 113 7.563 128.607 9.119 1 T 1.683e+00 0.00e+00 a 0 - - - >> 114 7.562 128.591 8.690 1 T 2.517e+00 0.00e+00 a 0 - - - >> 115 7.560 128.602 6.381 1 T 2.228e+00 0.00e+00 a 0 - - - >> 116 7.602 125.176 8.804 1 T 1.798e+01 0.00e+00 a 0 - - - >> 117 7.607 125.414 9.160 1 T 2.025e+00 0.00e+00 a 0 - - - >> 118 7.600 125.158 7.593 1 T 2.229e+02 0.00e+00 a 0 - - - >> 119 7.604 125.174 9.155 1 T 3.403e+00 0.00e+00 a 0 - - - >> 120 7.600 125.201 4.783 1 T 7.002e+00 0.00e+00 a 0 - - - >> 121 7.600 125.178 4.422 1 T 1.221e+01 0.00e+00 a 0 - - - >> 122 7.600 125.173 4.155 1 T 1.029e+01 0.00e+00 a 0 - - - >> 123 7.601 125.181 1.465 1 T 1.917e+01 0.00e+00 a 0 - - - >> 124 7.602 125.167 1.143 1 T 3.404e+00 0.00e+00 a 0 - - - >> 125 7.604 125.208 0.903 1 T 3.150e+00 0.00e+00 a 0 - - - >> 126 7.604 125.061 0.602 1 T 1.999e+00 0.00e+00 a 0 - - - >> 127 7.607 125.414 9.160 1 T 2.025e+00 0.00e+00 a 0 - - - >> 128 7.607 125.414 9.160 1 T 2.025e+00 0.00e+00 a 0 - - - >> 129 7.607 125.414 9.160 1 T 2.025e+00 0.00e+00 a 0 - - - >> 130 7.597 125.174 5.082 1 T 3.403e+00 0.00e+00 a 0 - - - >> 131 7.953 124.718 9.338 1 T 1.976e+00 0.00e+00 a 0 - - - >> 132 7.955 124.655 7.966 1 T 1.524e+02 0.00e+00 a 0 - - - >> 133 7.955 124.672 2.083 1 T 7.403e+00 0.00e+00 a 0 - - - >> 134 7.955 124.661 4.639 1 T 2.619e+01 0.00e+00 a 0 - - - >> 135 7.951 124.641 3.765 1 T 2.869e+00 0.00e+00 a 0 - - - >> 136 7.952 124.694 4.329 1 T 1.741e+00 0.00e+00 a 0 - - - >> 137 7.955 124.652 1.875 1 T 2.145e+01 0.00e+00 a 0 - - - >> 138 7.954 124.569 0.447 1 T 3.750e+00 0.00e+00 a 0 - - - >> 139 7.954 124.672 5.458 1 T 7.403e+00 0.00e+00 a 0 - - - >> 140 8.534 125.023 8.531 1 T 3.393e+02 0.00e+00 a 0 - - - >> 141 8.537 125.018 7.003 1 T 3.225e+00 0.00e+00 a 0 - - - >> 142 8.534 125.009 6.378 1 T 4.868e+00 0.00e+00 a 0 - - - >> 143 8.533 125.044 7.586 1 T 3.180e+00 0.00e+00 a 0 - - - >> 144 8.534 125.024 4.594 1 T 1.339e+02 0.00e+00 a 0 - - - >> 145 8.534 125.031 8.314 1 T 2.109e+01 0.00e+00 a 0 - - - >> 146 8.533 125.031 4.131 1 T 2.109e+01 0.00e+00 a 0 - - - >> 147 8.534 125.030 2.789 1 T 5.491e+01 0.00e+00 a 0 - - - >> 148 8.535 125.030 2.555 1 T 4.873e+01 0.00e+00 a 0 - - - >> 149 8.534 125.013 4.806 1 T 8.546e+00 0.00e+00 a 0 - - - >> 150 8.534 125.038 1.497 1 T 2.944e+00 0.00e+00 a 0 - - - >> 151 8.528 124.917 -0.457 1 T 2.529e+00 0.00e+00 a 0 - - - >> 152 8.528 124.967 -0.728 1 T 2.634e+00 0.00e+00 a 0 - - - >> 153 8.534 125.013 2.275 1 T 8.546e+00 0.00e+00 a 0 - - - >> 154 7.839 123.880 7.838 1 T 4.940e+02 0.00e+00 a 0 - - - >> 155 7.839 123.882 7.294 1 T 3.694e+01 0.00e+00 a 0 - - - >> 156 7.839 123.883 6.995 1 T 7.641e+01 0.00e+00 a 0 - - - >> 157 7.841 123.852 6.373 1 T 4.915e+00 0.00e+00 a 0 - - - >> 158 7.839 123.871 8.279 1 T 1.017e+01 0.00e+00 a 0 - - - >> 159 7.839 123.883 4.163 1 T 1.037e+02 0.00e+00 a 0 - - - >> 160 7.838 123.909 3.796 1 T 3.406e+00 0.00e+00 a 0 - - - >> 161 7.835 123.839 2.893 1 T 2.556e+00 0.00e+00 a 0 - - - >> 162 7.837 123.873 2.590 1 T 3.821e+00 0.00e+00 a 0 - - - >> 163 7.839 123.888 1.448 1 T 1.241e+01 0.00e+00 a 0 - - - >> 164 7.839 123.881 1.208 1 T 2.807e+01 0.00e+00 a 0 - - - >> 165 7.838 123.888 1.875 1 T 1.241e+01 0.00e+00 a 0 - - - >> 166 7.353 123.808 7.347 1 T 4.501e+02 0.00e+00 a 0 - - - >> 167 7.353 123.811 8.321 1 T 6.552e+01 0.00e+00 a 0 - - - >> 168 7.354 123.885 4.731 1 T 2.776e+00 0.00e+00 a 0 - - - >> 169 7.353 123.807 4.003 1 T 4.586e+01 0.00e+00 a 0 - - - >> 170 7.355 123.822 3.705 1 T 1.064e+01 0.00e+00 a 0 - - - >> 171 7.352 123.810 3.124 1 T 3.030e+01 0.00e+00 a 0 - - - >> 172 7.354 123.857 1.835 1 T 4.052e+00 0.00e+00 a 0 - - - >> 173 7.354 123.815 1.274 1 T 3.516e+01 0.00e+00 a 0 - - - >> 174 7.354 123.803 0.532 1 T 4.871e+01 0.00e+00 a 0 - - - >> 175 8.557 123.516 8.545 1 T 6.043e+01 0.00e+00 a 0 - - - >> 176 8.559 123.525 8.267 1 T 1.712e+01 0.00e+00 a 0 - - - >> 177 8.551 123.614 4.676 1 T 4.348e+00 0.00e+00 a 0 - - - >> 178 8.557 123.530 4.352 1 T 2.777e+01 0.00e+00 a 0 - - - >> 179 8.555 123.527 3.980 1 T 7.911e+00 0.00e+00 a 0 - - - >> 180 8.558 123.422 2.002 1 T 2.698e+00 0.00e+00 a 0 - - - >> 181 8.557 123.586 -0.162 1 T 2.356e+00 0.00e+00 a 0 - - - >> 182 8.551 123.431 -0.852 1 T 2.538e+00 0.00e+00 a 0 - - - >> 183 8.487 122.985 8.501 1 T 9.811e+01 0.00e+00 a 0 - - - >> 184 8.486 122.990 8.213 1 T 4.952e+00 0.00e+00 a 0 - - - >> 185 8.484 122.990 4.830 1 T 4.952e+00 0.00e+00 a 0 - - - >> 186 8.491 122.987 4.575 1 T 2.770e+01 0.00e+00 a 0 - - - >> 187 8.490 122.965 2.658 1 T 7.806e+00 0.00e+00 a 0 - - - >> 188 8.487 123.038 1.343 1 T 4.246e+00 0.00e+00 a 0 - - - >> 189 8.495 122.888 0.628 1 T 3.009e+00 0.00e+00 a 0 - - - >> 190 9.043 123.060 9.046 1 T 6.520e+01 0.00e+00 a 0 - - - >> 191 9.046 123.059 10.292 1 T 1.847e+00 0.00e+00 a 0 - - - >> 192 9.044 123.071 5.394 1 T 2.548e+01 0.00e+00 a 0 - - - >> 193 9.051 123.066 4.962 1 T 5.411e+00 0.00e+00 a 0 - - - >> 194 9.039 123.084 4.367 1 T 4.272e+00 0.00e+00 a 0 - - - >> 195 9.047 123.050 1.901 1 T 1.185e+01 0.00e+00 a 0 - - - >> 196 9.043 123.056 1.471 1 T 4.697e+00 0.00e+00 a 0 - - - >> 197 9.043 123.100 1.001 1 T 5.020e+00 0.00e+00 a 0 - - - >> 198 9.047 123.042 0.120 1 T 5.123e+00 0.00e+00 a 0 - - - >> 199 8.925 121.821 8.917 1 T 1.768e+02 0.00e+00 a 0 - - - >> 200 8.930 121.775 9.350 1 T 4.418e+00 0.00e+00 a 0 - - - >> 201 8.925 121.987 10.247 1 T 2.648e+00 0.00e+00 a 0 - - - >> 202 8.928 121.783 7.753 1 T 1.981e+00 0.00e+00 a 0 - - - >> 203 8.930 121.753 7.284 1 T 4.924e+00 0.00e+00 a 0 - - - >> 204 8.924 121.811 5.583 1 T 1.650e+01 0.00e+00 a 0 - - - >> 205 8.926 121.826 5.344 1 T 5.805e+01 0.00e+00 a 0 - - - >> 206 8.922 121.819 3.391 1 T 8.495e+00 0.00e+00 a 0 - - - >> 207 8.924 121.783 2.930 1 T 3.855e+00 0.00e+00 a 0 - - - >> 208 8.926 121.824 1.906 1 T 2.304e+01 0.00e+00 a 0 - - - >> 209 8.927 121.753 1.299 1 T 2.356e+00 0.00e+00 a 0 - - - >> 210 8.929 121.792 1.010 1 T 2.190e+00 0.00e+00 a 0 - - - >> 211 8.931 121.660 8.412 1 T 1.935e+00 0.00e+00 a 0 - - - >> 212 9.021 121.124 9.015 1 T 4.732e+01 0.00e+00 a 0 - - - >> 213 9.024 121.122 8.585 1 T 1.131e+01 0.00e+00 a 0 - - - >> 214 9.021 121.129 7.473 1 T 3.622e+00 0.00e+00 a 0 - - - >> 215 9.021 121.127 4.019 1 T 4.789e+00 0.00e+00 a 0 - - - >> 216 9.022 121.157 2.648 1 T 3.172e+00 0.00e+00 a 0 - - - >> 217 9.023 121.141 1.649 1 T 1.086e+01 0.00e+00 a 0 - - - >> 218 9.026 121.125 0.830 1 T 3.501e+00 0.00e+00 a 0 - - - >> 219 9.221 120.679 9.225 1 T 5.827e+01 0.00e+00 a 0 - - - >> 220 9.222 120.649 7.662 1 T 2.039e+00 0.00e+00 a 0 - - - >> 221 9.223 120.692 4.823 1 T 2.748e+00 0.00e+00 a 0 - - - >> 222 9.223 120.674 4.504 1 T 1.156e+01 0.00e+00 a 0 - - - >> 223 9.222 120.677 4.095 1 T 1.730e+01 0.00e+00 a 0 - - - >> 224 9.224 120.653 2.128 1 T 4.201e+00 0.00e+00 a 0 - - - >> 225 9.221 120.692 1.805 1 T 1.705e+01 0.00e+00 a 0 - - - >> 226 9.223 120.658 1.450 1 T 8.058e+00 0.00e+00 a 0 - - - >> 227 9.090 119.750 9.087 1 T 4.483e+01 0.00e+00 a 0 - - - >> 228 9.097 119.783 8.486 1 T 3.678e+00 0.00e+00 a 0 - - - >> 229 9.093 119.774 8.181 1 T 1.024e+01 0.00e+00 a 0 - - - >> 230 9.089 119.711 7.916 1 T 4.386e+00 0.00e+00 a 0 - - - >> 231 9.095 119.790 7.342 1 T 3.314e+00 0.00e+00 a 0 - - - >> 232 9.087 119.669 4.063 1 T 2.248e+00 0.00e+00 a 0 - - - >> 233 9.093 119.772 3.243 1 T 9.419e+00 0.00e+00 a 0 - - - >> 234 9.120 118.764 9.119 1 T 1.375e+02 0.00e+00 a 0 - - - >> 235 9.125 118.684 8.439 1 T 2.066e+00 0.00e+00 a 0 - - - >> 236 9.121 118.752 5.682 1 T 2.933e+01 0.00e+00 a 0 - - - >> 237 9.122 118.788 4.927 1 T 8.986e+00 0.00e+00 a 0 - - - >> 238 9.119 118.780 4.624 1 T 2.283e+00 0.00e+00 a 0 - - - >> 239 9.120 118.773 3.829 1 T 1.539e+01 0.00e+00 a 0 - - - >> 240 9.119 118.754 3.091 1 T 6.575e+00 0.00e+00 a 0 - - - >> 241 9.119 118.771 0.971 1 T 5.095e+00 0.00e+00 a 0 - - - >> 242 9.113 115.379 9.124 1 T 1.267e+02 0.00e+00 a 0 - - - >> 243 9.121 115.239 7.488 1 T 2.484e+00 0.00e+00 a 0 - - - >> 244 9.124 115.363 5.681 1 T 2.277e+00 0.00e+00 a 0 - - - >> 245 9.112 115.385 5.141 1 T 2.935e+01 0.00e+00 a 0 - - - >> 246 9.121 115.389 4.833 1 T 7.362e+00 0.00e+00 a 0 - - - >> 247 9.112 115.387 4.285 1 T 6.860e+00 0.00e+00 a 0 - - - >> 248 9.113 115.399 3.793 1 T 3.663e+00 0.00e+00 a 0 - - - >> 249 9.108 115.379 3.217 1 T 9.877e+00 0.00e+00 a 0 - - - >> 250 9.109 115.379 1.219 1 T 6.913e+00 0.00e+00 a 0 - - - >> 251 9.112 115.399 0.951 1 T 3.663e+00 0.00e+00 a 0 - - - >> 252 9.019 115.515 9.008 1 T 9.485e+01 0.00e+00 a 0 - - - >> 253 9.020 115.506 9.338 1 T 6.678e+00 0.00e+00 a 0 - - - >> 254 9.021 115.687 7.973 1 T 2.273e+00 0.00e+00 a 0 - - - >> 255 9.019 115.552 7.226 1 T 5.427e+00 0.00e+00 a 0 - - - >> 256 9.019 115.515 5.897 1 T 1.812e+01 0.00e+00 a 0 - - - >> 257 9.019 115.505 5.364 1 T 2.494e+00 0.00e+00 a 0 - - - >> 258 9.019 115.531 4.626 1 T 4.861e+00 0.00e+00 a 0 - - - >> 259 9.017 115.519 4.334 1 T 1.805e+01 0.00e+00 a 0 - - - >> 260 9.020 115.502 3.819 1 T 2.585e+00 0.00e+00 a 0 - - - >> 261 9.019 115.492 1.207 1 T 8.714e+00 0.00e+00 a 0 - - - >> 262 9.019 115.501 0.449 1 T 6.018e+00 0.00e+00 a 0 - - - >> 263 8.840 116.804 8.840 1 T 7.792e+01 0.00e+00 a 0 - - - >> 264 8.840 116.796 9.076 1 T 2.090e+01 0.00e+00 a 0 - - - >> 265 8.841 116.809 5.508 1 T 2.550e+01 0.00e+00 a 0 - - - >> 266 8.846 116.714 4.406 1 T 2.239e+00 0.00e+00 a 0 - - - >> 267 8.846 116.789 2.018 1 T 3.924e+00 0.00e+00 a 0 - - - >> 268 8.840 116.845 0.723 1 T 4.644e+00 0.00e+00 a 0 - - - >> 269 8.838 116.823 0.117 1 T 2.353e+00 0.00e+00 a 0 - - - >> 270 8.288 116.290 8.283 1 T 4.353e+02 0.00e+00 a 0 - - - >> 271 8.289 116.293 7.337 1 T 4.300e+01 0.00e+00 a 0 - - - >> 272 8.289 116.283 4.755 1 T 8.400e+00 0.00e+00 a 0 - - - >> 273 8.290 116.291 3.995 1 T 6.029e+01 0.00e+00 a 0 - - - >> 274 8.289 116.290 3.711 1 T 2.460e+01 0.00e+00 a 0 - - - >> 275 8.290 116.294 3.086 1 T 6.805e+00 0.00e+00 a 0 - - - >> 276 8.290 116.257 1.768 1 T 3.001e+00 0.00e+00 a 0 - - - >> 277 8.289 116.289 1.275 1 T 5.448e+01 0.00e+00 a 0 - - - >> 278 8.293 116.271 0.525 1 T 3.526e+00 0.00e+00 a 0 - - - >> 279 8.291 116.298 -0.999 1 T 2.130e+00 0.00e+00 a 0 - - - >> 280 8.361 116.718 8.354 1 T 3.768e+02 0.00e+00 a 0 - - - >> 281 8.363 116.658 7.658 1 T 3.081e+00 0.00e+00 a 0 - - - >> 282 8.362 116.723 7.349 1 T 3.412e+01 0.00e+00 a 0 - - - >> 283 8.362 116.728 6.919 1 T 2.275e+01 0.00e+00 a 0 - - - >> 284 8.363 116.729 6.582 1 T 3.806e+00 0.00e+00 a 0 - - - >> 285 8.362 116.726 3.980 1 T 1.317e+01 0.00e+00 a 0 - - - >> 286 8.365 116.728 3.681 1 T 4.487e+00 0.00e+00 a 0 - - - >> 287 8.361 116.720 3.103 1 T 1.251e+01 0.00e+00 a 0 - - - >> 288 8.362 116.726 2.785 1 T 2.797e+01 0.00e+00 a 0 - - - >> 289 8.362 116.727 1.859 1 T 4.778e+01 0.00e+00 a 0 - - - >> 290 8.363 116.727 1.587 1 T 1.618e+01 0.00e+00 a 0 - - - >> 291 8.362 116.712 1.261 1 T 9.530e+00 0.00e+00 a 0 - - - >> 292 8.362 116.712 0.535 1 T 2.375e+01 0.00e+00 a 0 - - - >> 293 8.127 117.063 8.128 1 T 5.482e+02 0.00e+00 a 0 - - - >> 294 8.126 117.043 9.303 1 T 4.433e+00 0.00e+00 a 0 - - - >> 295 8.128 117.072 5.463 1 T 3.827e+00 0.00e+00 a 0 - - - >> 296 8.126 117.064 4.693 1 T 1.297e+02 0.00e+00 a 0 - - - >> 297 8.126 117.060 3.893 1 T 8.609e+01 0.00e+00 a 0 - - - >> 298 8.125 117.040 2.379 1 T 4.397e+00 0.00e+00 a 0 - - - >> 299 8.126 117.062 1.912 1 T 3.457e+01 0.00e+00 a 0 - - - >> 300 8.126 117.068 1.204 1 T 1.421e+01 0.00e+00 a 0 - - - >> 301 8.127 117.070 0.892 1 T 2.932e+00 0.00e+00 a 0 - - - >> 302 7.440 120.941 9.014 1 T 2.300e+00 0.00e+00 a 0 - - - >> 303 7.446 120.933 8.445 1 T 1.699e+01 0.00e+00 a 0 - - - >> 304 7.447 120.969 7.965 1 T 3.978e+00 0.00e+00 a 0 - - - >> 305 7.445 120.948 7.448 1 T 2.797e+02 0.00e+00 a 0 - - - >> 306 7.444 120.946 6.907 1 T 1.932e+01 0.00e+00 a 0 - - - >> 307 7.443 120.850 6.573 1 T 2.684e+00 0.00e+00 a 0 - - - >> 309 7.447 120.961 3.546 1 T 1.488e+01 0.00e+00 a 0 - - - >> 310 7.446 120.960 3.116 1 T 5.611e+00 0.00e+00 a 0 - - - >> 311 7.448 120.925 2.743 1 T 2.099e+00 0.00e+00 a 0 - - - >> 312 7.446 120.949 1.754 1 T 4.820e+01 0.00e+00 a 0 - - - >> 313 7.446 120.938 1.227 1 T 6.234e+00 0.00e+00 a 0 - - - >> 314 7.447 120.950 0.858 1 T 3.877e+01 0.00e+00 a 0 - - - >> 315 7.518 118.705 8.991 1 T 6.455e+00 0.00e+00 a 0 - - - >> 316 7.517 118.717 7.950 1 T 1.021e+01 0.00e+00 a 0 - - - >> 317 7.515 118.704 7.525 1 T 1.204e+02 0.00e+00 a 0 - - - >> 318 7.515 118.700 4.019 1 T 1.262e+01 0.00e+00 a 0 - - - >> 319 7.513 118.730 3.567 1 T 3.738e+00 0.00e+00 a 0 - - - >> 320 7.516 118.713 2.167 1 T 2.315e+01 0.00e+00 a 0 - - - >> 321 7.514 118.697 1.643 1 T 8.999e+00 0.00e+00 a 0 - - - >> 322 8.465 114.342 8.464 1 T 3.628e+02 0.00e+00 a 0 - - - >> 323 8.465 114.341 7.261 1 T 2.210e+01 0.00e+00 a 0 - - - >> 324 8.465 114.342 4.889 1 T 6.798e+01 0.00e+00 a 0 - - - >> 325 8.464 114.356 4.463 1 T 2.717e+00 0.00e+00 a 0 - - - >> 326 8.464 114.343 4.137 1 T 2.246e+01 0.00e+00 a 0 - - - >> 327 8.464 114.343 2.145 1 T 2.729e+01 0.00e+00 a 0 - - - >> 328 8.461 114.365 1.852 1 T 4.986e+00 0.00e+00 a 0 - - - >> 329 8.464 114.339 1.288 1 T 3.739e+01 0.00e+00 a 0 - - - >> 330 8.465 114.347 0.950 1 T 8.070e+01 0.00e+00 a 0 - - - >> 331 8.469 114.355 7.522 1 T 3.380e+00 0.00e+00 a 0 - - - >> 332 7.878 114.958 7.870 1 T 5.346e+01 0.00e+00 a 0 - - - >> 333 7.878 114.968 7.231 1 T 1.193e+01 0.00e+00 a 0 - - - >> 334 7.879 114.994 6.848 1 T 2.933e+01 0.00e+00 a 0 - - - >> 335 7.875 114.923 2.439 1 T 2.326e+00 0.00e+00 a 0 - - - >> 336 7.876 115.082 -1.611 1 T 2.031e+00 0.00e+00 a 0 - - - >> 337 7.420 115.682 7.414 1 T 4.914e+01 0.00e+00 a 0 - - - >> 338 7.421 115.745 7.096 1 T 2.782e+00 0.00e+00 a 0 - - - >> 339 7.417 115.759 6.775 1 T 2.223e+00 0.00e+00 a 0 - - - >> 340 7.419 115.655 4.683 1 T 4.345e+00 0.00e+00 a 0 - - - >> 341 7.422 115.682 2.774 1 T 7.558e+00 0.00e+00 a 0 - - - >> 342 7.411 115.664 2.202 1 T 4.105e+00 0.00e+00 a 0 - - - >> 343 7.423 115.712 7.803 1 T 7.298e+00 0.00e+00 a 0 - - - >> 344 7.421 115.686 8.095 1 T 1.149e+01 0.00e+00 a 0 - - - >> 345 7.421 115.687 8.712 1 T 4.225e+00 0.00e+00 a 0 - - - >> 346 6.906 116.498 6.903 1 T 3.543e+02 0.00e+00 a 0 - - - >> 347 6.907 116.500 7.443 1 T 2.199e+01 0.00e+00 a 0 - - - >> 348 6.907 116.488 8.353 1 T 1.497e+01 0.00e+00 a 0 - - - >> 349 6.908 116.463 3.973 1 T 4.884e+00 0.00e+00 a 0 - - - >> 350 6.906 116.493 3.708 1 T 3.631e+01 0.00e+00 a 0 - - - >> 351 6.907 116.498 3.116 1 T 2.365e+00 0.00e+00 a 0 - - - >> 352 6.906 116.482 2.778 1 T 6.317e+00 0.00e+00 a 0 - - - >> 353 6.907 116.493 1.824 1 T 8.706e+01 0.00e+00 a 0 - - - >> 354 6.908 116.495 1.576 1 T 2.655e+01 0.00e+00 a 0 - - - >> 355 6.907 116.507 1.284 1 T 8.786e+00 0.00e+00 a 0 - - - >> 356 6.907 116.549 0.864 1 T 3.590e+00 0.00e+00 a 0 - - - >> 357 6.858 114.980 6.849 1 T 1.026e+02 0.00e+00 a 0 - - - >> 358 6.858 115.006 7.220 1 T 8.939e+00 0.00e+00 a 0 - - - >> 359 6.857 114.993 7.866 1 T 4.148e+01 0.00e+00 a 0 - - - >> 360 6.858 114.824 7.629 1 T 3.293e+00 0.00e+00 a 0 - - - >> 361 6.744 114.798 6.510 1 T 2.269e+01 0.00e+00 a 0 - - - >> 362 6.743 114.796 6.749 1 T 3.037e+01 0.00e+00 a 0 - - - >> 363 6.742 114.840 7.525 1 T 6.070e+00 0.00e+00 a 0 - - - >> 364 6.743 114.824 2.215 1 T 3.293e+00 0.00e+00 a 0 - - - >> 365 6.489 114.851 7.561 1 T 5.852e+00 0.00e+00 a 0 - - - >> 366 6.491 114.796 6.749 1 T 2.972e+01 0.00e+00 a 0 - - - >> 367 6.490 114.775 6.505 1 T 2.928e+01 0.00e+00 a 0 - - - >> 368 7.252 113.574 7.256 1 T 5.251e+02 0.00e+00 a 0 - - - >> 369 7.252 113.572 8.457 1 T 2.785e+01 0.00e+00 a 0 - - - >> 370 7.252 113.578 4.685 1 T 2.161e+01 0.00e+00 a 0 - - - >> 371 7.252 113.583 4.379 1 T 2.465e+00 0.00e+00 a 0 - - - >> 372 7.252 113.573 4.018 1 T 3.633e+01 0.00e+00 a 0 - - - >> 373 7.252 113.547 3.697 1 T 5.088e+00 0.00e+00 a 0 - - - >> 374 7.252 113.577 3.049 1 T 1.451e+01 0.00e+00 a 0 - - - >> 375 7.251 113.576 2.155 1 T 7.546e+00 0.00e+00 a 0 - - - >> 376 7.252 113.578 1.276 1 T 4.121e+01 0.00e+00 a 0 - - - >> 377 7.252 113.571 0.952 1 T 3.814e+01 0.00e+00 a 0 - - - >> 378 7.252 113.573 0.593 1 T 3.721e+00 0.00e+00 a 0 - - - >> 379 7.997 113.348 9.841 1 T 1.446e+01 0.00e+00 a 0 - - - >> 380 7.997 113.369 8.001 1 T 5.706e+01 0.00e+00 a 0 - - - >> 381 7.998 113.352 5.904 1 T 3.553e+00 0.00e+00 a 0 - - - >> 382 7.997 113.299 5.666 1 T 2.906e+00 0.00e+00 a 0 - - - >> 383 7.996 113.343 4.819 1 T 4.613e+00 0.00e+00 a 0 - - - >> 384 8.000 113.249 4.212 1 T 2.499e+00 0.00e+00 a 0 - - - >> 385 7.996 113.403 3.891 1 T 3.989e+00 0.00e+00 a 0 - - - >> 386 7.995 113.442 1.191 1 T 3.792e+00 0.00e+00 a 0 - - - >> 387 7.671 111.990 7.296 1 T 4.910e+00 0.00e+00 a 0 - - - >> 388 7.674 111.976 7.668 1 T 2.144e+02 0.00e+00 a 0 - - - >> 389 7.674 111.982 6.960 1 T 1.418e+02 0.00e+00 a 0 - - - >> 390 7.674 111.948 4.707 1 T 3.181e+00 0.00e+00 a 0 - - - >> 391 7.673 111.954 2.948 1 T 8.694e+00 0.00e+00 a 0 - - - >> 392 7.674 111.948 4.823 1 T 3.181e+00 0.00e+00 a 0 - - - >> 393 7.310 110.983 7.315 1 T 3.163e+02 0.00e+00 a 0 - - - >> 394 7.310 110.979 7.833 1 T 2.749e+01 0.00e+00 a 0 - - - >> 395 7.309 110.989 6.386 1 T 6.276e+00 0.00e+00 a 0 - - - >> 396 7.310 110.978 7.552 1 T 1.212e+01 0.00e+00 a 0 - - - >> 397 7.310 110.954 4.744 1 T 2.215e+00 0.00e+00 a 0 - - - >> 398 7.310 110.978 4.178 1 T 2.434e+01 0.00e+00 a 0 - - - >> 399 7.309 110.985 3.786 1 T 3.656e+01 0.00e+00 a 0 - - - >> 400 7.310 110.984 2.601 1 T 9.385e+00 0.00e+00 a 0 - - - >> 401 7.306 110.977 2.265 1 T 3.858e+00 0.00e+00 a 0 - - - >> 402 7.308 111.011 1.893 1 T 3.659e+00 0.00e+00 a 0 - - - >> 403 7.310 110.989 1.018 1 T 9.427e+00 0.00e+00 a 0 - - - >> 404 7.310 110.978 5.597 1 T 1.212e+01 0.00e+00 a 0 - - - >> 405 7.225 111.832 7.221 1 T 3.254e+02 0.00e+00 a 0 - - - >> 406 7.225 111.843 6.798 1 T 1.924e+02 0.00e+00 a 0 - - - >> 407 7.222 111.988 5.278 1 T 1.903e+00 0.00e+00 a 0 - - - >> 408 7.224 111.836 4.755 1 T 3.777e+00 0.00e+00 a 0 - - - >> 409 7.226 111.848 2.943 1 T 1.056e+01 0.00e+00 a 0 - - - >> 410 7.223 111.830 2.534 1 T 7.010e+00 0.00e+00 a 0 - - - >> 411 7.225 111.842 1.227 1 T 7.223e+00 0.00e+00 a 0 - - - >> 412 7.224 111.834 0.958 1 T 1.197e+01 0.00e+00 a 0 - - - >> 413 6.974 111.980 7.672 1 T 7.996e+01 0.00e+00 a 0 - - - >> 414 6.975 111.973 6.960 1 T 9.068e+01 0.00e+00 a 0 - - - >> 415 6.978 111.910 4.781 1 T 2.639e+00 0.00e+00 a 0 - - - >> 416 6.970 111.860 2.962 1 T 3.118e+00 0.00e+00 a 0 - - - >> 417 6.804 111.848 7.220 1 T 2.172e+02 0.00e+00 a 0 - - - >> 418 6.805 111.842 6.794 1 T 3.603e+02 0.00e+00 a 0 - - - >> 419 6.806 111.859 4.763 1 T 4.013e+00 0.00e+00 a 0 - - - >> 420 6.805 111.841 2.961 1 T 4.905e+00 0.00e+00 a 0 - - - >> 421 6.805 111.829 2.541 1 T 3.358e+00 0.00e+00 a 0 - - - >> 422 6.805 111.872 1.249 1 T 5.384e+00 0.00e+00 a 0 - - - >> 423 6.805 111.869 0.945 1 T 9.147e+00 0.00e+00 a 0 - - - >> 424 7.897 110.278 8.921 1 T 2.820e+00 0.00e+00 a 0 - - - >> 425 7.893 110.239 7.889 1 T 8.200e+01 0.00e+00 a 0 - - - >> 426 7.895 110.232 7.635 1 T 2.048e+01 0.00e+00 a 0 - - - >> 427 7.893 110.240 5.251 1 T 1.827e+01 0.00e+00 a 0 - - - >> 428 7.890 110.308 4.784 1 T 3.629e+00 0.00e+00 a 0 - - - >> 429 7.891 110.213 4.497 1 T 8.043e+00 0.00e+00 a 0 - - - >> 430 7.893 110.231 4.081 1 T 1.595e+01 0.00e+00 a 0 - - - >> 431 7.896 110.257 1.424 1 T 4.070e+00 0.00e+00 a 0 - - - >> 432 7.895 110.252 0.641 1 T 5.173e+00 0.00e+00 a 0 - - - >> 433 7.833 108.577 7.835 1 T 8.293e+01 0.00e+00 a 0 - - - >> 434 7.833 108.576 8.059 1 T 2.603e+01 0.00e+00 a 0 - - - >> 435 7.832 108.577 7.423 1 T 7.864e+00 0.00e+00 a 0 - - - >> 436 7.831 108.557 4.712 1 T 4.331e+00 0.00e+00 a 0 - - - >> 437 7.832 108.573 3.908 1 T 2.258e+01 0.00e+00 a 0 - - - >> 438 7.830 108.598 -1.631 1 T 1.872e+00 0.00e+00 a 0 - - - >> 439 8.346 109.619 8.351 1 T 1.748e+02 0.00e+00 a 0 - - - >> 440 8.346 109.625 5.110 1 T 3.420e+01 0.00e+00 a 0 - - - >> 441 8.346 109.408 4.768 1 T 1.035e+01 0.00e+00 a 0 - - - >> 442 8.346 109.641 4.195 1 T 1.727e+01 0.00e+00 a 0 - - - >> 443 8.343 109.396 3.849 1 T 5.807e+00 0.00e+00 a 0 - - - >> 444 8.345 109.626 1.878 1 T 7.465e+00 0.00e+00 a 0 - - - >> 445 8.345 109.648 1.445 1 T 1.828e+01 0.00e+00 a 0 - - - >> 446 8.349 109.641 0.651 1 T 5.037e+00 0.00e+00 a 0 - - - >> 447 8.347 109.703 -1.120 1 T 2.136e+00 0.00e+00 a 0 - - - >> 448 8.346 109.419 8.351 1 T 1.748e+02 0.00e+00 a 0 - - - >> 449 8.822 109.519 7.594 1 T 9.137e+00 0.00e+00 a 0 - - - >> 450 8.822 109.542 8.813 1 T 1.777e+01 0.00e+00 a 0 - - - >> 451 8.821 109.632 1.775 1 T 2.700e+00 0.00e+00 a 0 - - - >> 452 8.817 109.549 4.149 1 T 2.311e+00 0.00e+00 a 0 - - - >> 453 8.211 106.639 8.206 1 T 3.139e+02 0.00e+00 a 0 - - - >> 454 8.208 106.639 10.461 1 T 3.048e+00 0.00e+00 a 0 - - - >> 455 8.211 106.624 7.068 1 T 7.205e+00 0.00e+00 a 0 - - - >> 456 8.210 106.669 4.144 1 T 1.106e+01 0.00e+00 a 0 - - - >> 457 8.211 106.648 3.676 1 T 9.572e+00 0.00e+00 a 0 - - - >> 458 8.209 106.663 2.666 1 T 6.692e+00 0.00e+00 a 0 - - - >> 459 8.201 106.621 -0.205 1 T 2.286e+00 0.00e+00 a 0 - - - >> 460 6.983 103.220 6.981 1 T 3.248e+02 0.00e+00 a 0 - - - >> 461 6.985 103.205 7.279 1 T 1.329e+01 0.00e+00 a 0 - - - >> 462 6.985 103.229 7.836 1 T 4.969e+01 0.00e+00 a 0 - - - >> 463 6.983 103.216 8.284 1 T 2.652e+01 0.00e+00 a 0 - - - >> 464 6.987 103.221 4.376 1 T 2.182e+01 0.00e+00 a 0 - - - >> 465 6.980 103.223 4.127 1 T 1.651e+01 0.00e+00 a 0 - - - >> 466 6.981 103.215 2.575 1 T 3.705e+00 0.00e+00 a 0 - - - >> 467 6.984 103.225 1.485 1 T 2.055e+01 0.00e+00 a 0 - - - >> 468 6.990 103.187 1.784 1 T 2.971e+00 0.00e+00 a 0 - - - >> 469 6.985 103.220 1.063 1 T 2.434e+01 0.00e+00 a 0 - - - >> 470 6.986 103.169 -1.247 1 T 3.537e+00 0.00e+00 a 0 - - - >> 471 6.981 103.262 -1.620 1 T 2.209e+00 0.00e+00 a 0 - - - >> 472 6.983 103.128 8.597 1 T 5.640e+00 0.00e+00 a 0 - - - >> 473 6.981 103.142 8.899 1 T 2.730e+00 0.00e+00 a 0 - - - >> 474 6.974 103.344 9.159 1 T 3.567e+00 0.00e+00 a 0 - - - >> 475 7.928 120.614 7.930 1 T 7.137e+01 0.00e+00 a 0 - - - >> 476 7.926 120.616 7.524 1 T 1.012e+01 0.00e+00 a 0 - - - >> 477 7.927 120.613 7.201 1 T 1.333e+01 0.00e+00 a 0 - - - >> 478 7.930 120.632 6.695 1 T 3.482e+00 0.00e+00 a 0 - - - >> 479 7.929 120.622 9.069 1 T 6.138e+00 0.00e+00 a 0 - - - >> 480 7.925 120.573 8.464 1 T 2.397e+00 0.00e+00 a 0 - - - >> 481 7.928 120.597 4.562 1 T 3.475e+00 0.00e+00 a 0 - - - >> 482 7.927 120.611 4.270 1 T 6.668e+00 0.00e+00 a 0 - - - >> 483 7.926 120.640 3.995 1 T 3.332e+00 0.00e+00 a 0 - - - >> 484 7.922 120.582 3.478 1 T 3.484e+00 0.00e+00 a 0 - - - >> 485 7.926 120.605 3.221 1 T 1.619e+01 0.00e+00 a 0 - - - >> 486 7.930 120.606 2.201 1 T 7.960e+00 0.00e+00 a 0 - - - >> 487 7.926 120.593 0.755 1 T 1.886e+00 0.00e+00 a 0 - - - >> 488 8.070 122.252 8.060 1 T 1.398e+02 0.00e+00 a 0 - - - >> 489 8.069 122.244 5.088 1 T 1.054e+01 0.00e+00 a 0 - - - >> 490 8.071 122.256 4.454 1 T 2.321e+01 0.00e+00 a 0 - - - >> 491 8.067 122.252 1.713 1 T 7.296e+00 0.00e+00 a 0 - - - >> 492 8.068 122.226 1.455 1 T 3.217e+00 0.00e+00 a 0 - - - >> 493 8.068 122.226 0.889 1 T 3.217e+00 0.00e+00 a 0 - - - >> 494 8.115 120.840 8.109 1 T 7.635e+02 0.00e+00 a 0 - - - >> 495 8.116 120.841 1.286 1 T 1.191e+02 0.00e+00 a 0 - - - >> 496 8.114 120.361 3.446 1 T 2.330e+00 0.00e+00 a 0 - - - >> 497 8.292 119.832 8.286 1 T 1.154e+03 0.00e+00 a 0 - - - >> 498 8.293 119.840 7.831 1 T 1.690e+01 0.00e+00 a 0 - - - >> 499 8.292 119.860 7.524 1 T 5.388e+00 0.00e+00 a 0 - - - >> 500 8.293 119.817 7.261 1 T 7.146e+00 0.00e+00 a 0 - - - >> 501 8.292 119.833 6.990 1 T 6.871e+01 0.00e+00 a 0 - - - >> 502 8.292 119.836 4.599 1 T 1.589e+01 0.00e+00 a 0 - - - >> 503 8.292 119.830 4.092 1 T 9.796e+01 0.00e+00 a 0 - - - >> 504 8.292 119.838 2.812 1 T 1.627e+01 0.00e+00 a 0 - - - >> 505 8.293 119.826 2.533 1 T 3.511e+01 0.00e+00 a 0 - - - >> 506 8.293 119.833 2.262 1 T 4.155e+00 0.00e+00 a 0 - - - >> 507 8.292 119.827 1.496 1 T 1.535e+02 0.00e+00 a 0 - - - >> 508 8.292 119.843 1.086 1 T 8.482e+00 0.00e+00 a 0 - - - >> 509 8.457 119.877 8.455 1 T 1.452e+02 0.00e+00 a 0 - - - >> 510 8.455 119.877 7.449 1 T 7.814e+00 0.00e+00 a 0 - - - >> 511 8.455 119.850 9.000 1 T 3.901e+00 0.00e+00 a 0 - - - >> 512 8.456 119.872 6.578 1 T 2.681e+00 0.00e+00 a 0 - - - >> 513 8.455 119.875 4.569 1 T 3.491e+00 0.00e+00 a 0 - - - >> 514 8.454 119.804 3.025 1 T 3.386e+00 0.00e+00 a 0 - - - >> 515 8.454 119.881 2.668 1 T 6.792e+00 0.00e+00 a 0 - - - >> 516 8.451 119.859 1.724 1 T 1.037e+01 0.00e+00 a 0 - - - >> 517 8.454 119.834 0.767 1 T 4.702e+00 0.00e+00 a 0 - - - >> 518 8.455 119.873 8.135 1 T 1.413e+01 0.00e+00 a 0 - - - >> 519 8.447 119.059 8.455 1 T 1.452e+02 0.00e+00 a 0 - - - >> 520 8.447 119.028 5.520 1 T 7.387e+00 0.00e+00 a 0 - - - >> 521 8.447 119.027 4.795 1 T 5.764e+00 0.00e+00 a 0 - - - >> 522 8.447 119.057 4.193 1 T 3.503e+01 0.00e+00 a 0 - - - >> 523 8.450 119.095 2.069 1 T 6.714e+00 0.00e+00 a 0 - - - >> 524 8.449 119.059 0.758 1 T 2.860e+00 0.00e+00 a 0 - - - >> 525 8.554 119.752 8.545 1 T 9.066e+01 0.00e+00 a 0 - - - >> 526 8.556 119.715 9.062 1 T 4.651e+00 0.00e+00 a 0 - - - >> 527 8.554 119.788 7.418 1 T 2.241e+00 0.00e+00 a 0 - - - >> 528 8.551 119.798 4.585 1 T 7.154e+00 0.00e+00 a 0 - - - >> 529 8.557 119.761 4.035 1 T 4.468e+00 0.00e+00 a 0 - - - >> 530 8.556 119.744 3.222 1 T 4.404e+00 0.00e+00 a 0 - - - >> 531 8.555 119.736 2.956 1 T 1.707e+01 0.00e+00 a 0 - - - >> 532 8.645 122.046 8.644 1 T 2.597e+02 0.00e+00 a 0 - - - >> 533 8.646 122.044 8.108 1 T 1.599e+01 0.00e+00 a 0 - - - >> 534 8.645 122.042 7.507 1 T 5.530e+00 0.00e+00 a 0 - - - >> 535 8.645 122.044 7.100 1 T 1.161e+01 0.00e+00 a 0 - - - >> 536 8.645 122.049 4.694 1 T 5.712e+01 0.00e+00 a 0 - - - >> 537 8.638 122.021 4.001 1 T 1.973e+00 0.00e+00 a 0 - - - >> 538 8.645 122.046 3.062 1 T 7.203e+01 0.00e+00 a 0 - - - >> 539 8.645 122.049 1.137 1 T 6.588e+01 0.00e+00 a 0 - - - >> 540 8.709 122.033 8.707 1 T 2.180e+02 0.00e+00 a 0 - - - >> 541 8.702 122.066 9.057 1 T 2.762e+00 0.00e+00 a 0 - - - >> 542 8.704 122.004 7.531 1 T 2.296e+00 0.00e+00 a 0 - - - >> 543 8.707 121.925 5.721 1 T 1.998e+00 0.00e+00 a 0 - - - >> 544 8.708 122.018 4.794 1 T 2.603e+01 0.00e+00 a 0 - - - >> 545 8.707 121.996 4.541 1 T 6.332e+00 0.00e+00 a 0 - - - >> 546 8.708 122.030 4.259 1 T 2.411e+01 0.00e+00 a 0 - - - >> 547 8.707 122.025 2.925 1 T 9.607e+00 0.00e+00 a 0 - - - >> 548 8.708 122.015 2.579 1 T 1.679e+01 0.00e+00 a 0 - - - >> 549 8.707 122.022 1.206 1 T 1.011e+01 0.00e+00 a 0 - - - >> 550 8.725 121.006 8.717 1 T 9.084e+01 0.00e+00 a 0 - - - >> 551 8.720 120.923 9.024 1 T 3.163e+00 0.00e+00 a 0 - - - >> 552 8.729 121.099 7.422 1 T 4.557e+00 0.00e+00 a 0 - - - >> 553 8.728 121.030 4.500 1 T 5.519e+00 0.00e+00 a 0 - - - >> 554 8.727 120.973 2.761 1 T 9.895e+00 0.00e+00 a 0 - - - >> 555 8.725 120.972 2.943 1 T 8.896e+00 0.00e+00 a 0 - - - >> 556 8.401 120.183 8.400 1 T 3.090e+02 0.00e+00 a 0 - - - >> 557 8.404 120.192 9.341 1 T 1.523e+01 0.00e+00 a 0 - - - >> 558 8.401 120.154 7.466 1 T 5.089e+00 0.00e+00 a 0 - - - >> 559 8.402 120.175 4.205 1 T 2.896e+00 0.00e+00 a 0 - - - >> 560 8.402 120.168 4.707 1 T 1.888e+01 0.00e+00 a 0 - - - >> 561 8.399 120.175 5.475 1 T 2.896e+00 0.00e+00 a 0 - - - >> 562 8.401 120.181 3.842 1 T 3.548e+01 0.00e+00 a 0 - - - >> 563 8.401 120.181 2.381 1 T 5.861e+00 0.00e+00 a 0 - - - >> 564 8.401 120.173 1.939 1 T 1.981e+01 0.00e+00 a 0 - - - >> 565 8.338 120.101 8.331 1 T 2.661e+02 0.00e+00 a 0 - - - >> 566 8.337 120.091 4.665 1 T 1.225e+01 0.00e+00 a 0 - - - >> 567 8.340 120.112 4.208 1 T 1.981e+01 0.00e+00 a 0 - - - >> 568 8.338 120.110 3.673 1 T 1.888e+01 0.00e+00 a 0 - - - >> 569 8.339 120.107 1.925 1 T 2.677e+01 0.00e+00 a 0 - - - >> 570 8.337 120.117 1.251 1 T 2.007e+00 0.00e+00 a 0 - - - >> 571 8.335 120.133 -0.155 1 T 2.347e+00 0.00e+00 a 0 - - - >> 572 8.335 120.125 -0.835 1 T 2.421e+00 0.00e+00 a 0 - - - >> 573 8.078 121.576 8.088 1 T 1.398e+02 0.00e+00 a 0 - - - >> 574 8.081 121.597 4.454 1 T 2.321e+01 0.00e+00 a 0 - - - >> 575 8.078 121.596 3.918 1 T 6.474e+00 0.00e+00 a 0 - - - >> 576 8.080 121.586 2.693 1 T 1.987e+00 0.00e+00 a 0 - - - >> 577 8.080 121.596 1.674 1 T 7.296e+00 0.00e+00 a 0 - - - >> 578 8.078 121.605 1.339 1 T 1.191e+02 0.00e+00 a 0 - - - >> 579 8.079 121.627 0.609 1 T 2.874e+00 0.00e+00 a 0 - - - >> 580 8.115 120.840 8.109 1 T 7.635e+02 0.00e+00 a 0 - - - >> 581 8.115 120.846 8.632 1 T 2.940e+01 0.00e+00 a 0 - - - >> 582 8.116 120.853 7.362 1 T 6.871e+00 0.00e+00 a 0 - - - >> 583 8.118 120.870 7.088 1 T 4.312e+00 0.00e+00 a 0 - - - >> 584 8.115 120.840 4.698 1 T 6.618e+00 0.00e+00 a 0 - - - >> 585 8.116 120.837 3.975 1 T 5.359e+01 0.00e+00 a 0 - - - >> 586 8.114 120.832 3.661 1 T 2.558e+00 0.00e+00 a 0 - - - >> 587 8.116 120.838 3.072 1 T 3.351e+01 0.00e+00 a 0 - - - >> 588 8.116 120.897 1.854 1 T 2.843e+00 0.00e+00 a 0 - - - >> 589 8.119 120.836 1.576 1 T 4.349e+00 0.00e+00 a 0 - - - >> 590 8.119 120.842 0.816 1 T 3.587e+00 0.00e+00 a 0 - - - >> 591 8.116 120.898 0.017 1 T 1.937e+00 0.00e+00 a 0 - - - >> 592 8.614 126.080 -0.144 1 T 1.352e+00 0.00e+00 a 0 - - - >> 593 8.908 128.898 8.556 1 T 4.246e+00 0.00e+00 a 0 - - - >> 594 8.907 128.898 8.504 1 T 4.246e+00 0.00e+00 a 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 . aliased 16.014617216 ppm . . . 4.773 . . 30222 1 >> 2 . . N 15 N . aliased 34.997730341 ppm . . . 117.079 . . 30222 1 >> 3 . . H 1 H . aliased 16.014617216 ppm . . . 4.773 . . 30222 1 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_2 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-13C NOESY aromatic' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H H-aromatic 2 C C-aromatic 3 H H stop_ _Sample_label $sample_3 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_2 >> _Spectral_peak_list.Entry_ID 30222 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Sample_ID 3 >> _Spectral_peak_list.Sample_label $sample_3 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 3 >> _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aromatic' >> _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 . >> _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 3 >># INAME 1 H >># INAME 2 C >># INAME 3 h >># CYANAFORMAT HCh >> 1 7.118 114.136 7.438 1 T 6.308e+00 0.00e+00 a 0 - - - >> 2 7.115 114.144 7.118 1 T 2.139e+01 0.00e+00 a 0 - - - >> 3 7.118 114.153 6.861 1 T 2.308e+00 0.00e+00 a 0 - - - >> 4 7.118 114.176 6.585 1 T 6.308e+00 0.00e+00 a 0 - - - >> 5 7.122 114.019 0.749 1 T 1.770e+00 0.00e+00 a 0 - - - >> 6 7.124 114.089 3.248 1 T 1.186e+00 0.00e+00 a 0 - - - >> 7 7.118 114.136 7.438 1 T 3.308e+00 0.00e+00 a 0 - - - >> 8 6.717 132.921 6.714 1 T 4.595e+01 0.00e+00 a 0 - - - >> 9 6.709 132.942 4.262 1 T 2.429e+00 0.00e+00 a 0 - - - >> 10 6.722 132.829 3.219 1 T 5.044e+00 0.00e+00 a 0 - - - >> 11 6.716 133.199 0.715 1 T 1.760e+00 0.00e+00 a 0 - - - >> 12 6.729 132.912 7.165 1 T 1.213e+01 0.00e+00 a 0 - - - >> 13 7.222 131.229 7.221 1 T 2.122e+01 0.00e+00 a 0 - - - >> 14 7.210 131.235 7.736 1 T 1.659e+00 0.00e+00 a 0 - - - >> 15 7.223 131.178 3.076 1 T 1.155e+00 0.00e+00 a 0 - - - >> 16 7.223 131.175 0.595 1 T 1.306e+00 0.00e+00 a 0 - - - >> 17 7.761 132.665 7.764 1 T 3.649e+01 0.00e+00 a 0 - - - >> 18 7.763 132.766 7.206 1 T 5.402e+00 0.00e+00 a 0 - - - >> 19 7.761 132.727 3.089 1 T 5.367e+00 0.00e+00 a 0 - - - >> 20 6.580 130.687 6.576 1 T 7.615e+00 0.00e+00 a 0 - - - >> 21 6.587 130.711 7.070 1 T 2.538e+00 0.00e+00 a 0 - - - >> 22 7.070 130.424 6.576 1 T 2.915e+00 0.00e+00 a 0 - - - >> 23 7.058 130.423 2.999 1 T 1.554e+00 0.00e+00 a 0 - - - >> 24 7.062 130.355 0.494 1 T 1.524e+00 0.00e+00 a 0 - - - >> 25 7.073 130.432 7.771 1 T 2.475e+00 0.00e+00 a 0 - - - >> 26 7.065 130.415 7.064 1 T 1.616e+01 0.00e+00 a 0 - - - >> 27 7.697 138.368 7.699 1 T 1.406e+03 0.00e+00 a 0 - - - >> 28 7.386 131.933 7.394 1 T 6.768e+01 0.00e+00 a 0 - - - >> 29 7.376 131.959 4.159 1 T 2.034e+00 0.00e+00 a 0 - - - >> 30 7.399 131.972 3.498 1 T 3.021e+00 0.00e+00 a 0 - - - >> 31 7.399 131.972 3.283 1 T 3.021e+00 0.00e+00 a 0 - - - >> 32 7.389 131.992 0.644 1 T 1.522e+00 0.00e+00 a 0 - - - >> 33 7.384 131.959 7.128 1 T 3.932e+00 0.00e+00 a 0 - - - >> 34 7.396 131.935 6.839 1 T 3.335e+00 0.00e+00 a 0 - - - >> 35 7.372 132.038 1.274 1 T 1.424e+00 0.00e+00 a 0 - - - >> 36 7.370 131.635 0.590 1 T 1.304e+00 0.00e+00 a 0 - - - >> 37 6.838 130.432 6.845 1 T 8.964e+00 0.00e+00 a 0 - - - >> 38 6.375 117.338 6.374 1 T 1.157e+01 0.00e+00 a 0 - - - >> 39 7.100 128.800 7.105 1 T 3.623e+01 0.00e+00 a 0 - - - >> 40 7.099 128.785 7.503 1 T 1.019e+01 0.00e+00 a 0 - - - >> 41 7.099 128.852 4.668 1 T 4.070e+00 0.00e+00 a 0 - - - >> 42 7.107 128.868 3.140 1 T 1.302e+00 0.00e+00 a 0 - - - >> 43 7.093 128.893 1.166 1 T 1.827e+00 0.00e+00 a 0 - - - >> 44 7.510 132.264 7.104 1 T 2.720e+00 0.00e+00 a 0 - - - >> 45 7.503 126.817 7.490 1 T 6.820e+01 0.00e+00 a 0 - - - >> 46 7.505 126.780 4.705 1 T 3.343e+00 0.00e+00 a 0 - - - >> 47 7.504 126.930 3.233 1 T 3.070e+00 0.00e+00 a 0 - - - >> 48 7.491 127.003 5.153 1 T 1.707e+00 0.00e+00 a 0 - - - >> 49 6.604 118.071 6.618 1 T 8.345e+01 0.00e+00 a 0 - - - >> 50 6.606 117.990 0.713 1 T 3.110e+00 0.00e+00 a 0 - - - >> 51 7.781 132.665 7.774 1 T 3.649e+01 0.00e+00 a 0 - - - >> 52 7.478 119.597 6.367 1 T 3.291e+00 0.00e+00 a 0 - - - >> 53 7.477 119.761 3.169 1 T 1.296e+00 0.00e+00 a 0 - - - >> 54 7.479 119.865 7.478 1 T 9.227e+00 0.00e+00 a 0 - - - >> 55 6.561 123.468 7.475 1 T 1.731e+00 0.00e+00 a 0 - - - >> 56 6.580 123.415 6.583 1 T 7.934e+00 0.00e+00 a 0 - - - >> 57 6.559 123.508 6.361 1 T 2.545e+00 0.00e+00 a 0 - - - >> 58 6.379 120.054 6.376 1 T 4.537e+00 0.00e+00 a 0 - - - >> 59 7.122 114.127 4.035 1 T 1.770e+00 0.00e+00 a 0 - - - >> 60 6.382 117.363 4.186 1 T 1.894e+00 0.00e+00 a 0 - - - >> 61 6.383 117.339 2.820 1 T 2.044e+00 0.00e+00 a 0 - - - >> 62 6.579 123.463 3.341 1 T 1.738e+00 0.00e+00 a 0 - - - >> 63 6.579 123.463 3.108 1 T 1.738e+00 0.00e+00 a 0 - - - >> 64 7.503 126.772 2.001 1 T 3.064e+00 0.00e+00 a 0 - - - >> 65 6.367 120.048 3.103 1 T 1.078e+00 0.00e+00 a 0 - - - >> 66 6.368 120.027 2.028 1 T 1.246e+00 0.00e+00 a 0 - - - >> 67 6.368 120.065 -0.833 1 T 1.760e+00 0.00e+00 a 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-aromatic . aliased 14.019506193 ppm . . . 6.073 . . 30222 2 >> 2 . . C 13 C-aromatic . aliased 40.291186258 ppm . . . 127.736 . . 30222 2 >> 3 . . H 1 H . aliased 14.019506193 ppm . . . 6.073 . . 30222 2 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_3 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-13C NOESY aliphatic' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H H-aliphatic 2 N C-aliphatic 3 H H stop_ _Sample_label $sample_3 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_3 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_3 >> _Spectral_peak_list.Entry_ID 30222 >> _Spectral_peak_list.ID 3 >> _Spectral_peak_list.Sample_ID 3 >> _Spectral_peak_list.Sample_label $sample_3 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 2 >> _Spectral_peak_list.Experiment_name '3D 1H-13C NOESY aliphatic' >> _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 . >> _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 3 >># INAME 1 H >># INAME 2 C >># INAME 3 h >># CYANAFORMAT HCh >> 1 4.681 54.620 4.677 1 T 3.284e+02 0.00e+00 a 0 - - - >> 2 4.679 54.468 2.461 1 T 8.577e+00 0.00e+00 a 0 - - - >> 3 4.679 54.649 1.940 1 T 2.897e+01 0.00e+00 a 0 - - - >> 4 1.908 35.297 1.908 1 T 3.967e+02 0.00e+00 a 0 - - - >> 5 1.908 35.300 1.473 1 T 6.223e+00 0.00e+00 a 0 - - - >> 6 1.915 35.178 2.365 1 T 4.801e+00 0.00e+00 a 0 - - - >> 7 1.913 35.169 4.672 1 T 4.872e+00 0.00e+00 a 0 - - - >> 8 1.907 35.217 5.138 1 T 2.773e+00 0.00e+00 a 0 - - - >> 9 2.343 31.676 2.340 1 T 2.839e+02 0.00e+00 a 0 - - - >> 10 2.351 31.676 1.952 1 T 1.137e+01 0.00e+00 a 0 - - - >> 11 2.338 31.698 4.671 1 T 4.044e+00 0.00e+00 a 0 - - - >> 12 2.344 31.829 7.412 1 T 1.309e+00 0.00e+00 a 0 - - - >> 13 4.802 63.469 4.795 1 T 1.086e+02 0.00e+00 a 0 - - - >> 14 3.894 69.300 3.895 1 T 2.103e+02 0.00e+00 a 0 - - - >> 15 3.874 69.648 4.456 1 T 1.002e+01 0.00e+00 a 0 - - - >> 16 3.885 69.465 4.786 1 T 1.161e+01 0.00e+00 a 0 - - - >> 17 3.895 69.278 1.214 1 T 4.160e+01 0.00e+00 a 0 - - - >> 18 3.871 69.709 0.735 1 T 9.078e+00 0.00e+00 a 0 - - - >> 19 3.876 69.758 0.459 1 T 4.206e+00 0.00e+00 a 0 - - - >> 20 1.148 21.735 4.180 1 T 1.464e+01 0.00e+00 a 0 - - - >> 21 1.152 21.758 4.385 1 T 9.370e+00 0.00e+00 a 0 - - - >> 22 1.149 21.743 1.156 1 T 7.094e+02 0.00e+00 a 0 - - - >> 23 1.139 21.862 0.757 1 T 1.779e+01 0.00e+00 a 0 - - - >> 24 1.227 21.517 1.222 1 T 2.172e+03 0.00e+00 a 0 - - - >> 25 1.248 21.287 3.970 1 T 3.834e+01 0.00e+00 a 0 - - - >> 26 1.221 21.597 4.323 1 T 3.952e+01 0.00e+00 a 0 - - - >> 27 1.239 21.668 4.774 1 T 3.052e+01 0.00e+00 a 0 - - - >> 28 1.220 21.338 5.415 1 T 7.253e+00 0.00e+00 a 0 - - - >> 29 1.219 21.290 5.890 1 T 9.649e+00 0.00e+00 a 0 - - - >> 30 1.223 21.053 3.706 1 T 1.744e+01 0.00e+00 a 0 - - - >> 31 1.220 21.454 1.923 1 T 1.244e+01 0.00e+00 a 0 - - - >> 32 5.368 56.992 5.370 1 T 1.000e+02 0.00e+00 a 0 - - - >> 33 5.367 57.033 3.410 1 T 7.910e+00 0.00e+00 a 0 - - - >> 34 5.362 57.053 2.965 1 T 4.794e+00 0.00e+00 a 0 - - - >> 35 5.369 57.048 1.907 1 T 7.169e+00 0.00e+00 a 0 - - - >> 36 5.363 56.975 1.244 1 T 2.878e+00 0.00e+00 a 0 - - - >> 37 5.369 57.098 7.400 1 T 4.808e+00 0.00e+00 a 0 - - - >> 38 2.952 44.141 2.961 1 T 7.774e+00 0.00e+00 a 0 - - - >> 39 2.952 44.141 3.410 1 T 7.774e+00 0.00e+00 a 0 - - - >> 40 2.946 44.117 0.501 1 T 3.231e+00 0.00e+00 a 0 - - - >> 41 2.948 44.100 7.089 1 T 2.665e+00 0.00e+00 a 0 - - - >> 42 2.947 44.126 7.338 1 T 3.797e+00 0.00e+00 a 0 - - - >> 43 5.387 54.769 5.399 1 T 4.179e+01 0.00e+00 a 0 - - - >> 44 5.387 54.776 5.890 1 T 8.082e+00 0.00e+00 a 0 - - - >> 45 5.388 54.727 5.635 1 T 1.436e+01 0.00e+00 a 0 - - - >> 46 5.388 54.656 4.343 1 T 2.248e+00 0.00e+00 a 0 - - - >> 47 5.386 54.777 7.247 1 T 2.310e+00 0.00e+00 a 0 - - - >> 48 5.386 54.797 1.924 1 T 6.282e+00 0.00e+00 a 0 - - - >> 49 5.390 54.645 1.481 1 T 3.451e+00 0.00e+00 a 0 - - - >> 50 5.384 54.734 1.219 1 T 6.836e+00 0.00e+00 a 0 - - - >> 51 1.963 36.446 5.389 1 T 1.926e+00 0.00e+00 a 0 - - - >> 52 1.964 36.308 2.306 1 T 7.317e+00 0.00e+00 a 0 - - - >> 53 1.883 36.442 5.385 1 T 3.228e+00 0.00e+00 a 0 - - - >> 54 1.891 36.393 5.606 1 T 3.404e+00 0.00e+00 a 0 - - - >> 55 1.868 34.717 1.868 1 T 3.967e+02 0.00e+00 a 0 - - - >> 56 1.460 25.414 1.445 1 T 2.232e+02 0.00e+00 a 0 - - - >> 57 1.454 25.345 2.980 1 T 3.865e+00 0.00e+00 a 0 - - - >> 58 1.454 25.382 4.108 1 T 4.006e+00 0.00e+00 a 0 - - - >> 59 1.619 29.147 2.863 1 T 9.658e+00 0.00e+00 a 0 - - - >> 60 1.611 29.153 1.607 1 T 4.222e+02 0.00e+00 a 0 - - - >> 61 1.604 29.228 3.695 1 T 3.066e+00 0.00e+00 a 0 - - - >> 62 1.634 29.074 1.056 1 T 3.780e+00 0.00e+00 a 0 - - - >> 63 1.625 29.013 0.820 1 T 4.311e+00 0.00e+00 a 0 - - - >> 64 2.768 41.756 2.818 1 T 1.140e+02 0.00e+00 a 0 - - - >> 65 2.767 41.852 3.167 1 T 2.912e+00 0.00e+00 a 0 - - - >> 66 2.772 41.845 1.902 1 T 3.470e+00 0.00e+00 a 0 - - - >> 67 2.772 41.806 1.633 1 T 5.266e+00 0.00e+00 a 0 - - - >> 68 2.774 41.868 1.229 1 T 2.171e+00 0.00e+00 a 0 - - - >> 69 5.431 49.973 5.423 1 T 8.103e+01 0.00e+00 a 0 - - - >> 70 5.429 50.005 3.029 1 T 6.817e+00 0.00e+00 a 0 - - - >> 71 5.437 50.072 1.010 1 T 2.615e+00 0.00e+00 a 0 - - - >> 72 5.428 49.961 0.119 1 T 2.136e+01 0.00e+00 a 0 - - - >> 73 0.130 18.737 0.121 1 T 2.716e+02 0.00e+00 a 0 - - - >> 74 0.132 18.825 0.728 1 T 6.376e+00 0.00e+00 a 0 - - - >> 75 0.137 18.740 3.040 1 T 3.959e+00 0.00e+00 a 0 - - - >> 76 0.128 18.683 5.423 1 T 9.964e+00 0.00e+00 a 0 - - - >> 77 0.129 18.689 6.624 1 T 4.254e+00 0.00e+00 a 0 - - - >> 78 0.132 18.669 7.057 1 T 2.858e+00 0.00e+00 a 0 - - - >> 79 4.338 60.413 5.532 1 T 1.200e+01 0.00e+00 a 0 - - - >> 80 4.370 59.906 5.155 1 T 1.109e+01 0.00e+00 a 0 - - - >> 81 4.376 60.257 4.379 1 T 3.489e+02 0.00e+00 a 0 - - - >> 82 4.367 60.040 3.891 1 T 3.224e+00 0.00e+00 a 0 - - - >> 83 4.342 60.382 1.929 1 T 5.590e+00 0.00e+00 a 0 - - - >> 84 4.342 60.386 1.454 1 T 5.588e+00 0.00e+00 a 0 - - - >> 85 4.377 60.326 1.075 1 T 4.051e+01 0.00e+00 a 0 - - - >> 86 4.342 60.378 0.838 1 T 1.841e+01 0.00e+00 a 0 - - - >> 87 4.362 59.951 0.361 1 T 2.784e+00 0.00e+00 a 0 - - - >> 88 4.366 59.956 -0.167 1 T 8.608e+00 0.00e+00 a 0 - - - >> 89 4.361 59.940 0.086 1 T 5.004e+00 0.00e+00 a 0 - - - >> 90 4.370 59.949 -0.441 1 T 4.474e+00 0.00e+00 a 0 - - - >> 91 4.365 59.921 -0.850 1 T 9.974e+00 0.00e+00 a 0 - - - >> 92 4.295 61.329 4.288 1 T 1.006e+02 0.00e+00 a 0 - - - >> 93 4.293 61.380 3.236 1 T 1.167e+01 0.00e+00 a 0 - - - >> 94 4.293 61.400 2.746 1 T 3.726e+00 0.00e+00 a 0 - - - >> 95 4.299 61.355 2.272 1 T 3.218e+00 0.00e+00 a 0 - - - >> 96 4.294 61.241 6.700 1 T 5.908e+00 0.00e+00 a 0 - - - >> 97 4.170 61.616 4.172 1 T 6.073e+01 0.00e+00 a 0 - - - >> 98 4.168 61.642 3.514 1 T 4.328e+00 0.00e+00 a 0 - - - >> 99 4.167 61.550 1.367 1 T 3.208e+00 0.00e+00 a 0 - - - >> 100 4.171 61.590 5.086 1 T 1.144e+01 0.00e+00 a 0 - - - >> 101 4.178 61.659 6.732 1 T 2.481e+00 0.00e+00 a 0 - - - >> 102 4.171 61.609 7.241 1 T 7.754e+00 0.00e+00 a 0 - - - >> 103 4.188 59.754 3.943 1 T 1.323e+01 0.00e+00 a 0 - - - >> 104 4.181 59.800 1.475 1 T 5.021e+00 0.00e+00 a 0 - - - >> 105 4.180 59.860 1.194 1 T 3.957e+00 0.00e+00 a 0 - - - >> 106 4.180 59.826 0.713 1 T 9.987e+00 0.00e+00 a 0 - - - >> 107 4.180 59.799 0.424 1 T 5.075e+00 0.00e+00 a 0 - - - >> 108 4.183 59.851 0.098 1 T 4.232e+00 0.00e+00 a 0 - - - >> 109 4.180 59.798 -0.170 1 T 5.059e+00 0.00e+00 a 0 - - - >> 110 1.912 39.189 4.978 1 T 3.057e+00 0.00e+00 a 0 - - - >> 111 1.914 39.268 4.340 1 T 2.483e+00 0.00e+00 a 0 - - - >> 112 1.908 39.268 1.921 1 T 3.729e+01 0.00e+00 a 0 - - - >> 113 1.918 39.266 1.469 1 T 3.223e+00 0.00e+00 a 0 - - - >> 114 1.901 39.277 0.841 1 T 1.157e+01 0.00e+00 a 0 - - - >> 115 1.460 25.414 1.445 1 T 2.232e+02 0.00e+00 a 0 - - - >> 116 1.459 27.585 1.115 1 T 2.587e+01 0.00e+00 a 0 - - - >> 117 1.456 27.584 0.847 1 T 1.557e+01 0.00e+00 a 0 - - - >> 118 1.456 27.886 1.917 1 T 6.142e+00 0.00e+00 a 0 - - - >> 119 1.459 28.280 2.929 1 T 4.601e+00 0.00e+00 a 0 - - - >> 120 1.460 27.725 4.318 1 T 2.717e+00 0.00e+00 a 0 - - - >> 121 1.471 28.404 4.189 1 T 2.444e+00 0.00e+00 a 0 - - - >> 122 1.120 27.629 1.114 1 T 2.846e+01 0.00e+00 a 0 - - - >> 123 1.129 27.640 9.042 1 T 1.099E+01 0.00E+00 a 0 - - - >> >> 124 1.130 27.659 1.446 1 T 1.867e+01 0.00e+00 a 0 - - - >> 125 1.124 27.548 1.934 1 T 4.774e+00 0.00e+00 a 0 - - - >> 126 1.126 27.650 4.315 1 T 3.139e+00 0.00e+00 a 0 - - - >> 127 1.124 27.460 5.524 1 T 2.021e+00 0.00e+00 a 0 - - - >> 128 0.806 12.952 0.807 1 T 7.517e+02 0.00e+00 a 0 - - - >> 129 0.855 17.158 0.851 1 T 6.283e+02 0.00e+00 a 0 - - - >> 130 0.855 17.183 1.435 1 T 1.221e+01 0.00e+00 a 0 - - - >> 131 0.855 17.155 1.930 1 T 3.019e+01 0.00e+00 a 0 - - - >> 132 0.856 17.147 4.328 1 T 2.043e+01 0.00e+00 a 0 - - - >> 133 4.046 58.724 4.040 1 T 1.182e+02 0.00e+00 a 0 - - - >> 134 4.042 60.229 1.646 1 T 1.101e+01 0.00e+00 a 0 - - - >> 135 4.045 60.143 0.766 1 T 4.485e+00 0.00e+00 a 0 - - - >> 136 4.053 60.166 7.127 1 T 3.817e+00 0.00e+00 a 0 - - - >> 137 4.030 60.118 7.386 1 T 3.032e+00 0.00e+00 a 0 - - - >> 138 1.495 38.816 1.483 1 T 4.154e+01 0.00e+00 a 0 - - - >> 139 1.490 38.793 0.671 1 T 8.028e+00 0.00e+00 a 0 - - - >> 140 1.488 38.858 0.420 1 T 3.934e+00 0.00e+00 a 0 - - - >> 141 1.498 39.035 4.175 1 T 3.523e+00 0.00e+00 a 0 - - - >> 142 0.739 25.623 0.612 1 T 4.811e+01 0.00e+00 a 0 - - - >> 143 0.745 27.221 1.218 1 T 6.797e+00 0.00e+00 a 0 - - - >> 144 0.470 13.787 0.464 1 T 1.853e+02 0.00e+00 a 0 - - - >> 145 0.469 13.782 -0.024 1 T 4.912e+01 0.00e+00 a 0 - - - >> 146 0.475 13.719 0.233 1 T 1.160e+01 0.00e+00 a 0 - - - >> 147 0.468 13.790 1.217 1 T 1.105e+01 0.00e+00 a 0 - - - >> 148 0.473 13.757 1.485 1 T 7.432e+00 0.00e+00 a 0 - - - >> 149 0.665 17.825 0.663 1 T 2.466e+02 0.00e+00 a 0 - - - >> 150 0.666 17.822 0.375 1 T 5.742e+01 0.00e+00 a 0 - - - >> 151 0.665 17.808 1.174 1 T 7.579e+00 0.00e+00 a 0 - - - >> 152 0.665 17.802 1.477 1 T 1.599e+01 0.00e+00 a 0 - - - >> 153 0.665 17.814 4.173 1 T 9.798e+00 0.00e+00 a 0 - - - >> 154 0.672 17.784 5.144 1 T 3.022e+00 0.00e+00 a 0 - - - >> 155 5.266 51.010 5.270 1 T 1.582e+02 0.00e+00 a 0 - - - >> 156 5.265 51.007 2.951 1 T 9.359e+00 0.00e+00 a 0 - - - >> 157 5.263 50.958 2.514 1 T 8.229e+00 0.00e+00 a 0 - - - >> 158 5.261 50.908 1.748 1 T 4.210e+00 0.00e+00 a 0 - - - >> 159 5.264 50.959 1.465 1 T 6.013e+00 0.00e+00 a 0 - - - >> 160 2.928 38.472 2.962 1 T 8.626e+01 0.00e+00 a 0 - - - >> 161 2.956 37.954 2.516 1 T 1.658e+01 0.00e+00 a 0 - - - >> 162 2.959 37.997 4.739 1 T 4.928e+00 0.00e+00 a 0 - - - >> 163 2.965 37.948 5.269 1 T 4.096e+00 0.00e+00 a 0 - - - >> 164 2.496 37.978 2.498 1 T 2.965e+01 0.00e+00 a 0 - - - >> 165 2.493 37.962 2.955 1 T 1.506e+01 0.00e+00 a 0 - - - >> 166 2.508 38.104 4.735 1 T 3.657e+00 0.00e+00 a 0 - - - >> 167 2.493 38.029 5.271 1 T 4.173e+00 0.00e+00 a 0 - - - >> 168 4.517 44.633 4.099 1 T 2.120e+01 0.00e+00 a 0 - - - >> 169 4.516 44.666 4.518 1 T 2.714e+01 0.00e+00 a 0 - - - >> 170 4.116 44.637 4.515 1 T 2.829e+01 0.00e+00 a 0 - - - >> 171 4.118 44.712 4.115 1 T 6.206e+01 0.00e+00 a 0 - - - >> 172 4.127 45.061 3.679 1 T 1.431e+01 0.00e+00 a 0 - - - >> 173 4.104 58.878 4.107 1 T 2.978e+02 0.00e+00 a 0 - - - >> 174 4.101 58.837 2.967 1 T 2.724e+00 0.00e+00 a 0 - - - >> 175 4.104 58.880 1.824 1 T 3.507e+01 0.00e+00 a 0 - - - >> 176 4.104 58.889 1.452 1 T 1.447e+01 0.00e+00 a 0 - - - >> 177 1.831 32.475 1.826 1 T 2.844e+02 0.00e+00 a 0 - - - >> 178 1.842 32.211 1.586 1 T 1.893e+01 0.00e+00 a 0 - - - >> 179 1.841 32.175 3.723 1 T 1.525e+01 0.00e+00 a 0 - - - >> 180 1.823 32.661 4.108 1 T 1.158e+01 0.00e+00 a 0 - - - >> 181 1.348 25.419 0.627 1 T 4.407e+00 0.00e+00 a 0 - - - >> 182 1.337 25.011 1.831 1 T 7.655e+00 0.00e+00 a 0 - - - >> 183 2.888 41.860 2.888 1 T 1.070e+03 0.00e+00 a 0 - - - >> 184 2.872 41.803 1.869 1 T 4.774e+00 0.00e+00 a 0 - - - >> 185 2.882 41.809 1.598 1 T 2.211e+01 0.00e+00 a 0 - - - >> 186 2.888 41.868 1.324 1 T 7.260e+00 0.00e+00 a 0 - - - >> 187 2.976 41.924 2.972 1 T 1.097e+03 0.00e+00 a 0 - - - >> 188 2.976 41.886 1.667 1 T 1.371e+01 0.00e+00 a 0 - - - >> 189 2.970 42.036 1.456 1 T 9.745e+00 0.00e+00 a 0 - - - >> 190 2.825 42.017 2.536 1 T 4.015e+01 0.00e+00 a 0 - - - >> 191 2.818 41.997 4.127 1 T 7.117e+00 0.00e+00 a 0 - - - >> 192 2.816 42.031 6.391 1 T 4.168e+00 0.00e+00 a 0 - - - >> 193 3.051 42.373 4.679 1 T 1.571e+01 0.00e+00 a 0 - - - >> 194 4.371 62.087 4.383 1 T 2.775e+02 0.00e+00 a 0 - - - >> 195 4.371 62.117 1.158 1 T 2.392e+01 0.00e+00 a 0 - - - >> 196 4.206 69.800 4.204 1 T 2.688e+02 0.00e+00 a 0 - - - >> 197 4.205 69.817 1.158 1 T 3.512e+01 0.00e+00 a 0 - - - >> 198 4.455 55.055 4.451 1 T 2.096e+02 0.00e+00 a 0 - - - >> 199 4.454 54.956 5.100 1 T 2.410e+01 0.00e+00 a 0 - - - >> 200 4.455 54.936 1.454 1 T 9.491e+00 0.00e+00 a 0 - - - >> 201 4.456 54.940 0.888 1 T 8.789e+00 0.00e+00 a 0 - - - >> 202 1.567 43.705 1.495 1 T 2.649e+01 0.00e+00 a 0 - - - >> 203 1.575 43.701 1.102 1 T 3.547e+00 0.00e+00 a 0 - - - >> 204 1.565 43.647 0.879 1 T 3.404e+00 0.00e+00 a 0 - - - >> 205 1.574 43.569 4.449 1 T 2.127e+00 0.00e+00 a 0 - - - >> 206 1.460 43.617 4.458 1 T 2.247e+00 0.00e+00 a 0 - - - >> 207 1.459 43.696 1.511 1 T 2.884e+01 0.00e+00 a 0 - - - >> 208 1.461 43.608 1.115 1 T 4.932e+00 0.00e+00 a 0 - - - >> 209 1.468 43.691 0.875 1 T 4.117e+00 0.00e+00 a 0 - - - >> 210 0.901 24.239 0.895 1 T 8.618e+02 0.00e+00 a 0 - - - >> 211 0.900 24.201 1.476 1 T 1.970e+01 0.00e+00 a 0 - - - >> 212 0.901 24.257 3.871 1 T 3.264e+00 0.00e+00 a 0 - - - >> 213 0.901 24.218 4.449 1 T 9.336e+00 0.00e+00 a 0 - - - >> 214 0.906 24.111 5.099 1 T 2.787e+00 0.00e+00 a 0 - - - >> 215 0.900 24.247 6.660 1 T 4.025e+00 0.00e+00 a 0 - - - >> 216 0.902 24.280 7.127 1 T 4.030e+00 0.00e+00 a 0 - - - >> 217 0.901 24.309 7.384 1 T 2.067e+00 0.00e+00 a 0 - - - >> 218 5.124 53.876 5.128 1 T 1.286e+02 0.00e+00 a 0 - - - >> 219 5.100 53.977 4.451 1 T 6.261e+00 0.00e+00 a 0 - - - >> 220 5.123 53.893 1.906 1 T 9.297e+00 0.00e+00 a 0 - - - >> 221 5.122 53.873 1.725 1 T 1.109e+01 0.00e+00 a 0 - - - >> 222 5.122 53.882 1.473 1 T 1.223e+01 0.00e+00 a 0 - - - >> 223 5.125 54.008 0.665 1 T 4.006e+00 0.00e+00 a 0 - - - >> 224 1.755 34.961 1.747 1 T 2.984e+01 0.00e+00 a 0 - - - >> 225 1.747 35.016 1.472 1 T 7.483e+00 0.00e+00 a 0 - - - >> 226 1.741 35.057 5.134 1 T 2.627e+00 0.00e+00 a 0 - - - >> 227 1.461 25.021 5.229 1 T 3.333e+00 0.00e+00 a 0 - - - >> 228 1.455 24.280 0.886 1 T 6.592e+00 0.00e+00 a 0 - - - >> 229 1.781 28.992 1.725 1 T 8.456e+01 0.00e+00 a 0 - - - >> 230 1.782 28.946 2.970 1 T 3.482e+00 0.00e+00 a 0 - - - >> 231 1.783 28.857 5.190 1 T 2.254e+00 0.00e+00 a 0 - - - >> 232 1.679 28.908 2.962 1 T 6.848e+00 0.00e+00 a 0 - - - >> 233 1.611 29.153 1.607 1 T 4.222e+02 0.00e+00 a 0 - - - >> 234 3.051 42.373 4.679 1 T 1.571e+01 0.00e+00 a 0 - - - >> 235 2.976 41.924 2.972 1 T 1.097e+03 0.00e+00 a 0 - - - >> 236 4.192 45.083 4.190 1 T 1.420e+02 0.00e+00 a 0 - - - >> 237 4.194 45.091 4.922 1 T 1.153e+01 0.00e+00 a 0 - - - >> 238 4.193 45.127 5.758 1 T 2.699e+00 0.00e+00 a 0 - - - >> 239 4.156 45.003 3.678 1 T 1.517e+01 0.00e+00 a 0 - - - >> 240 4.155 44.997 3.447 1 T 3.467e+00 0.00e+00 a 0 - - - >> 241 4.084 44.637 4.519 1 T 3.073e+01 0.00e+00 a 0 - - - >> 242 4.084 44.663 4.108 1 T 5.210e+01 0.00e+00 a 0 - - - >> 243 3.666 44.932 3.678 1 T 1.778e+01 0.00e+00 a 0 - - - >> 244 3.668 45.049 3.446 1 T 5.775e+00 0.00e+00 a 0 - - - >> 245 3.666 45.005 4.151 1 T 1.446e+01 0.00e+00 a 0 - - - >> 246 5.513 54.914 5.518 1 T 1.629e+02 0.00e+00 a 0 - - - >> 247 5.486 54.724 5.489 1 T 1.572e+02 0.00e+00 a 0 - - - >> 248 5.483 54.675 4.787 1 T 1.952e+01 0.00e+00 a 0 - - - >> 249 5.514 54.932 4.333 1 T 1.671e+01 0.00e+00 a 0 - - - >> 250 5.500 54.850 2.095 1 T 1.542e+01 0.00e+00 a 0 - - - >> 251 5.484 54.718 1.875 1 T 2.013e+01 0.00e+00 a 0 - - - >> 252 5.496 54.863 1.208 1 T 2.968e+00 0.00e+00 a 0 - - - >> 253 5.520 55.039 0.807 1 T 3.804e+00 0.00e+00 a 0 - - - >> 254 5.521 55.040 0.489 1 T 1.901e+00 0.00e+00 a 0 - - - >> 255 5.518 55.102 1.469 1 T 1.854e+00 0.00e+00 a 0 - - - >> 256 2.082 33.659 5.520 1 T 4.450e+00 0.00e+00 a 0 - - - >> 257 2.081 33.636 2.085 1 T 6.713e+01 0.00e+00 a 0 - - - >> 258 2.079 33.734 0.824 1 T 1.721e+00 0.00e+00 a 0 - - - >> 259 1.928 33.428 0.817 1 T 1.594e+00 0.00e+00 a 0 - - - >> 260 1.931 33.637 5.531 1 T 2.862e+00 0.00e+00 a 0 - - - >> 261 2.137 36.482 5.484 1 T 4.868e+00 0.00e+00 a 0 - - - >> 262 2.139 36.483 4.778 1 T 2.436e+00 0.00e+00 a 0 - - - >> 263 2.110 36.485 2.126 1 T 1.819e+02 0.00e+00 a 0 - - - >> 264 2.104 36.669 4.779 1 T 2.403e+00 0.00e+00 a 0 - - - >> 265 2.110 36.509 5.481 1 T 5.314e+00 0.00e+00 a 0 - - - >> 266 4.808 60.645 4.814 1 T 2.531e+02 0.00e+00 a 0 - - - >> 267 4.808 60.591 4.236 1 T 2.907e+01 0.00e+00 a 0 - - - >> 268 4.809 60.768 1.221 1 T 2.962e+01 0.00e+00 a 0 - - - >> 269 1.075 21.172 4.389 1 T 7.827e+01 0.00e+00 a 0 - - - >> 270 1.070 21.162 1.454 1 T 1.529e+01 0.00e+00 a 0 - - - >> 271 1.074 21.170 1.072 1 T 8.444e+02 0.00e+00 a 0 - - - >> 272 5.903 59.935 5.903 1 T 6.378e+01 0.00e+00 a 0 - - - >> 273 5.907 59.919 5.662 1 T 6.401e+00 0.00e+00 a 0 - - - >> 274 5.904 59.951 5.390 1 T 1.296e+01 0.00e+00 a 0 - - - >> 275 5.904 59.926 4.335 1 T 1.434e+01 0.00e+00 a 0 - - - >> 276 5.905 59.899 1.924 1 T 1.646e+00 0.00e+00 a 0 - - - >> 277 5.903 59.934 1.214 1 T 1.955e+01 0.00e+00 a 0 - - - >> 278 5.903 59.900 7.255 1 T 5.821e+00 0.00e+00 a 0 - - - >> 279 4.337 73.009 4.336 1 T 1.579e+02 0.00e+00 a 0 - - - >> 280 4.335 73.003 5.907 1 T 1.402e+01 0.00e+00 a 0 - - - >> 281 4.339 73.003 1.217 1 T 5.338e+01 0.00e+00 a 0 - - - >> 282 4.632 62.199 4.628 1 T 1.063e+02 0.00e+00 a 0 - - - >> 283 4.633 62.244 3.796 1 T 1.521e+01 0.00e+00 a 0 - - - >> 284 4.630 62.122 0.447 1 T 5.467e+00 0.00e+00 a 0 - - - >> 285 3.830 70.317 0.990 1 T 2.850e+01 0.00e+00 a 0 - - - >> 286 3.777 71.960 3.783 1 T 1.454e+03 0.00e+00 a 0 - - - >> 287 3.768 69.667 4.608 1 T 6.161e+00 0.00e+00 a 0 - - - >> 288 3.785 69.591 0.465 1 T 1.117e+01 0.00e+00 a 0 - - - >> 289 3.787 69.610 4.617 1 T 6.077e+00 0.00e+00 a 0 - - - >> 290 0.452 18.474 7.350 1 T 4.091e+00 0.00e+00 a 0 - - - >> 291 0.453 18.508 7.111 1 T 4.918e+00 0.00e+00 a 0 - - - >> 292 0.454 18.499 4.626 1 T 2.221e+00 0.00e+00 a 0 - - - >> 293 0.454 18.560 3.800 1 T 9.769e+00 0.00e+00 a 0 - - - >> 294 0.459 18.437 3.014 1 T 4.278e+00 0.00e+00 a 0 - - - >> 295 0.455 18.695 1.771 1 T 3.015e+00 0.00e+00 a 0 - - - >> 296 0.454 18.597 1.305 1 T 7.375e+00 0.00e+00 a 0 - - - >> 297 0.456 18.554 0.464 1 T 2.229e+02 0.00e+00 a 0 - - - >> 298 1.846 31.014 5.494 1 T 5.382e+00 0.00e+00 a 0 - - - >> 299 1.919 31.028 5.494 1 T 4.739e+00 0.00e+00 a 0 - - - >> 300 1.914 31.019 1.875 1 T 6.336e+01 0.00e+00 a 0 - - - >> 301 1.846 30.972 2.103 1 T 1.628e+01 0.00e+00 a 0 - - - >> 302 1.973 31.354 4.671 1 T 5.597e+00 0.00e+00 a 0 - - - >> 303 2.055 31.249 4.673 1 T 4.255e+00 0.00e+00 a 0 - - - >> 304 2.058 31.306 1.999 1 T 5.656e+01 0.00e+00 a 0 - - - >> 305 1.964 31.379 2.005 1 T 5.752e+01 0.00e+00 a 0 - - - >> 306 4.895 50.935 4.902 1 T 1.079e+02 0.00e+00 a 0 - - - >> 307 4.895 50.947 1.331 1 T 2.363e+01 0.00e+00 a 0 - - - >> 309 1.315 23.419 4.893 1 T 2.134e+01 0.00e+00 a 0 - - - >> 310 1.304 23.431 4.019 1 T 8.732e+00 0.00e+00 a 0 - - - >> 311 1.310 23.398 3.107 1 T 6.477e+00 0.00e+00 a 0 - - - >> 312 1.312 23.405 1.320 1 T 3.621e+02 0.00e+00 a 0 - - - >> 313 1.312 23.410 0.513 1 T 1.478e+01 0.00e+00 a 0 - - - >> 314 4.156 63.672 4.159 1 T 2.991e+02 0.00e+00 a 0 - - - >> 315 4.161 63.695 3.892 1 T 1.530e+01 0.00e+00 a 0 - - - >> 316 4.156 63.678 2.163 1 T 3.436e+01 0.00e+00 a 0 - - - >> 317 4.156 63.678 0.955 1 T 4.092e+01 0.00e+00 a 0 - - - >> 318 2.168 32.072 2.161 1 T 1.522e+02 0.00e+00 a 0 - - - >> 319 2.169 32.035 0.958 1 T 3.733e+01 0.00e+00 a 0 - - - >> 320 2.170 32.036 4.161 1 T 1.711e+01 0.00e+00 a 0 - - - >> 321 0.991 20.731 0.995 1 T 8.762e+02 0.00e+00 a 0 - - - >> 322 0.955 20.060 2.167 1 T 2.427e+01 0.00e+00 a 0 - - - >> 323 0.991 20.701 1.927 1 T 1.419e+01 0.00e+00 a 0 - - - >> 324 0.992 20.719 3.828 1 T 4.006e+01 0.00e+00 a 0 - - - >> 325 1.007 20.890 5.617 1 T 1.309e+01 0.00e+00 a 0 - - - >> 326 0.988 20.676 4.965 1 T 1.370e+01 0.00e+00 a 0 - - - >> 327 0.959 21.042 4.159 1 T 1.290e+01 0.00e+00 a 0 - - - >> 328 4.682 52.539 7.104 1 T 1.282e+01 0.00e+00 a 0 - - - >> 329 4.682 52.613 3.053 1 T 5.038e+01 0.00e+00 a 0 - - - >> 330 3.162 54.664 3.147 1 T 9.733e+01 0.00e+00 a 0 - - - >> 331 3.158 54.605 7.117 1 T 5.660e+00 0.00e+00 a 0 - - - >> 332 3.166 54.629 7.509 1 T 4.292e+00 0.00e+00 a 0 - - - >> 333 3.163 54.640 1.155 1 T 2.427e+01 0.00e+00 a 0 - - - >> 334 3.168 54.720 0.542 1 T 8.044e+00 0.00e+00 a 0 - - - >> 335 3.108 54.937 0.517 1 T 1.690e+01 0.00e+00 a 0 - - - >> 336 3.110 54.932 1.301 1 T 6.883e+00 0.00e+00 a 0 - - - >> 337 3.105 54.971 1.740 1 T 6.334e+00 0.00e+00 a 0 - - - >> 338 3.112 54.896 3.124 1 T 9.439e+01 0.00e+00 a 0 - - - >> 339 1.148 17.347 1.149 1 T 6.326e+02 0.00e+00 a 0 - - - >> 340 1.152 17.344 3.142 1 T 2.512e+01 0.00e+00 a 0 - - - >> 341 1.146 17.342 6.364 1 T 7.145e+00 0.00e+00 a 0 - - - >> 342 1.147 17.375 7.091 1 T 9.411e+00 0.00e+00 a 0 - - - >> 343 1.146 17.317 7.508 1 T 1.308e+01 0.00e+00 a 0 - - - >> 344 3.990 54.726 3.987 1 T 2.033e+02 0.00e+00 a 0 - - - >> 345 3.985 54.677 1.866 1 T 6.055e+00 0.00e+00 a 0 - - - >> 346 3.984 54.774 1.310 1 T 4.300e+01 0.00e+00 a 0 - - - >> 347 1.306 17.817 1.307 1 T 8.704e+02 0.00e+00 a 0 - - - >> 348 1.304 17.816 3.993 1 T 4.632e+01 0.00e+00 a 0 - - - >> 349 1.504 18.292 1.499 1 T 9.289e+02 0.00e+00 a 0 - - - >> 350 1.503 18.309 1.074 1 T 1.270e+01 0.00e+00 a 0 - - - >> 351 1.503 18.289 4.107 1 T 5.184e+01 0.00e+00 a 0 - - - >> 352 3.554 66.115 3.563 1 T 1.565e+02 0.00e+00 a 0 - - - >> 353 3.555 66.097 2.194 1 T 6.346e+00 0.00e+00 a 0 - - - >> 354 3.556 66.059 1.767 1 T 6.386e+00 0.00e+00 a 0 - - - >> 355 3.557 66.146 0.878 1 T 2.114e+01 0.00e+00 a 0 - - - >> 356 3.672 65.934 3.663 1 T 2.895e+02 0.00e+00 a 0 - - - >> 357 3.703 67.619 4.006 1 T 1.809e+01 0.00e+00 a 0 - - - >> 358 3.693 66.683 1.835 1 T 5.914e+00 0.00e+00 a 0 - - - >> 359 3.705 66.883 1.581 1 T 5.294e+00 0.00e+00 a 0 - - - >> 360 3.713 66.741 1.223 1 T 1.080e+01 0.00e+00 a 0 - - - >> 361 3.701 67.072 -0.139 1 T 5.044e+00 0.00e+00 a 0 - - - >> 362 4.014 67.749 4.015 1 T 6.169e+01 0.00e+00 a 0 - - - >> 363 4.016 66.894 3.709 1 T 1.165e+01 0.00e+00 a 0 - - - >> 364 4.020 67.753 1.236 1 T 1.513e+01 0.00e+00 a 0 - - - >> 365 4.017 67.687 0.951 1 T 3.970e+00 0.00e+00 a 0 - - - >> 366 1.247 21.433 2.921 1 T 5.359e+00 0.00e+00 a 0 - - - >> 367 0.542 17.427 7.211 1 T 6.491e+00 0.00e+00 a 0 - - - >> 368 0.542 17.376 3.130 1 T 1.567e+01 0.00e+00 a 0 - - - >> 369 0.544 17.384 1.310 1 T 9.651e+00 0.00e+00 a 0 - - - >> 370 0.545 17.388 0.545 1 T 1.596e+02 0.00e+00 a 0 - - - >> 371 2.789 59.647 6.585 1 T 3.059e+00 0.00e+00 a 0 - - - >> 372 2.793 59.596 7.108 1 T 2.433e+00 0.00e+00 a 0 - - - >> 373 2.801 59.704 2.795 1 T 6.846e+01 0.00e+00 a 0 - - - >> 374 2.803 59.736 1.998 1 T 6.757e+00 0.00e+00 a 0 - - - >> 375 2.806 59.727 1.610 1 T 1.096e+01 0.00e+00 a 0 - - - >> 376 1.951 29.449 4.206 1 T 2.492e+00 0.00e+00 a 0 - - - >> 377 1.952 29.330 1.274 1 T 4.251e+00 0.00e+00 a 0 - - - >> 378 2.014 29.371 2.766 1 T 4.486e+00 0.00e+00 a 0 - - - >> 379 2.018 29.531 1.597 1 T 6.767e+00 0.00e+00 a 0 - - - >> 380 2.013 29.381 1.316 1 T 2.885e+00 0.00e+00 a 0 - - - >> 381 1.995 29.264 7.251 1 T 2.422e+00 0.00e+00 a 0 - - - >> 382 1.834 29.277 7.190 1 T 2.159e+00 0.00e+00 a 0 - - - >> 383 1.823 29.293 4.203 1 T 2.329e+00 0.00e+00 a 0 - - - >> 384 1.840 29.276 2.806 1 T 2.429e+00 0.00e+00 a 0 - - - >> 385 1.781 28.992 1.725 1 T 8.456e+01 0.00e+00 a 0 - - - >> 386 1.827 29.454 1.280 1 T 4.055e+00 0.00e+00 a 0 - - - >> 387 1.622 35.854 1.234 1 T 2.614e+00 0.00e+00 a 0 - - - >> 388 1.617 35.827 1.608 1 T 6.122e+01 0.00e+00 a 0 - - - >> 389 1.622 35.843 2.787 1 T 4.688e+00 0.00e+00 a 0 - - - >> 390 1.638 35.848 7.187 1 T 2.471e+00 0.00e+00 a 0 - - - >> 391 1.604 35.852 7.191 1 T 2.577e+00 0.00e+00 a 0 - - - >> 392 3.730 59.471 3.727 1 T 1.369e+02 0.00e+00 a 0 - - - >> 393 3.729 59.462 1.825 1 T 2.575e+01 0.00e+00 a 0 - - - >> 394 3.726 59.455 1.608 1 T 1.302e+01 0.00e+00 a 0 - - - >> 395 3.733 59.470 1.312 1 T 6.972e+00 0.00e+00 a 0 - - - >> 396 1.837 32.108 0.917 1 T 2.265e+00 0.00e+00 a 0 - - - >> 397 2.522 41.907 6.374 1 T 2.950e+00 0.00e+00 a 0 - - - >> 398 2.533 41.969 4.133 1 T 5.974e+00 0.00e+00 a 0 - - - >> 399 2.533 42.023 2.816 1 T 3.505e+01 0.00e+00 a 0 - - - >> 400 2.531 41.987 2.533 1 T 7.109e+01 0.00e+00 a 0 - - - >> 401 1.720 31.602 1.719 1 T 5.901e+01 0.00e+00 a 0 - - - >> 402 1.713 31.610 3.084 1 T 3.433e+00 0.00e+00 a 0 - - - >> 403 1.723 31.552 3.532 1 T 2.689e+00 0.00e+00 a 0 - - - >> 404 1.723 31.961 4.025 1 T 2.883e+00 0.00e+00 a 0 - - - >> 405 1.717 31.521 0.877 1 T 1.229e+01 0.00e+00 a 0 - - - >> 406 1.717 31.527 0.463 1 T 3.288e+00 0.00e+00 a 0 - - - >> 407 0.711 20.252 3.559 1 T 6.763e+00 0.00e+00 a 0 - - - >> 408 0.712 20.174 6.640 1 T 4.905e+00 0.00e+00 a 0 - - - >> 409 0.713 20.326 1.723 1 T 1.309e+01 0.00e+00 a 0 - - - >> 410 0.715 20.315 0.722 1 T 3.149e+02 0.00e+00 a 0 - - - >> 411 0.879 21.737 3.563 1 T 2.349e+01 0.00e+00 a 0 - - - >> 412 0.878 21.746 1.726 1 T 2.085e+01 0.00e+00 a 0 - - - >> 413 0.877 21.729 0.884 1 T 5.339e+02 0.00e+00 a 0 - - - >> 414 4.583 58.286 3.242 1 T 5.315e+00 0.00e+00 a 0 - - - >> 415 4.531 56.145 2.947 1 T 7.857e+01 0.00e+00 a 0 - - - >> 416 4.581 58.203 2.672 1 T 2.434e+00 0.00e+00 a 0 - - - >> 417 4.590 58.203 6.590 1 T 1.044e+01 0.00e+00 a 0 - - - >> 418 2.684 37.658 6.586 1 T 3.296e+00 0.00e+00 a 0 - - - >> 419 2.667 37.928 4.565 1 T 1.669e+00 0.00e+00 a 0 - - - >> 420 2.672 37.733 3.029 1 T 5.811e+00 0.00e+00 a 0 - - - >> 421 2.649 41.138 2.654 1 T 2.727e+01 0.00e+00 a 0 - - - >> 422 2.649 41.138 2.654 1 T 2.727e+01 0.00e+00 a 0 - - - >> 423 1.614 31.966 3.999 1 T 3.591e+00 0.00e+00 a 0 - - - >> 424 1.630 31.980 3.733 1 T 3.418e+00 0.00e+00 a 0 - - - >> 425 1.623 31.945 1.652 1 T 3.527e+01 0.00e+00 a 0 - - - >> 426 1.626 31.981 0.770 1 T 2.172e+00 0.00e+00 a 0 - - - >> 427 1.740 32.031 3.745 1 T 2.392e+00 0.00e+00 a 0 - - - >> 428 0.965 25.976 0.771 1 T 1.370e+01 0.00e+00 a 0 - - - >> 429 0.965 25.962 1.209 1 T 5.216e+00 0.00e+00 a 0 - - - >> 430 0.979 25.798 1.683 1 T 3.073e+00 0.00e+00 a 0 - - - >> 431 1.245 28.975 1.236 1 T 8.030e+01 0.00e+00 a 0 - - - >> 432 1.246 28.908 2.025 1 T 3.414e+00 0.00e+00 a 0 - - - >> 433 2.059 41.263 1.987 1 T 3.740e+01 0.00e+00 a 0 - - - >> 434 1.950 41.261 2.015 1 T 3.731e+01 0.00e+00 a 0 - - - >> 435 1.950 41.296 1.252 1 T 3.053e+00 0.00e+00 a 0 - - - >> 436 2.062 41.294 1.243 1 T 2.671e+00 0.00e+00 a 0 - - - >> 437 1.948 41.362 0.775 1 T 1.892e+00 0.00e+00 a 0 - - - >> 438 4.043 58.679 2.962 1 T 7.947e+00 0.00e+00 a 0 - - - >> 439 4.051 58.631 2.426 1 T 7.440e+00 0.00e+00 a 0 - - - >> 440 4.049 58.690 2.197 1 T 1.870e+01 0.00e+00 a 0 - - - >> 441 4.046 58.682 1.978 1 T 5.293e+00 0.00e+00 a 0 - - - >> 442 2.202 28.244 2.197 1 T 6.934e+01 0.00e+00 a 0 - - - >> 443 2.202 28.244 2.197 1 T 6.934e+01 0.00e+00 a 0 - - - >> 444 2.200 28.238 2.405 1 T 1.794e+01 0.00e+00 a 0 - - - >> 445 2.199 28.231 3.560 1 T 2.482e+00 0.00e+00 a 0 - - - >> 446 2.215 28.176 4.023 1 T 5.699e+00 0.00e+00 a 0 - - - >> 447 2.455 33.528 2.426 1 T 5.787e+01 0.00e+00 a 0 - - - >> 448 2.452 33.507 2.214 1 T 1.872e+01 0.00e+00 a 0 - - - >> 449 2.457 33.555 1.954 1 T 1.116e+01 0.00e+00 a 0 - - - >> 450 2.452 33.389 4.030 1 T 1.919e+00 0.00e+00 a 0 - - - >> 451 3.243 38.152 3.235 1 T 2.817e+01 0.00e+00 a 0 - - - >> 452 3.237 38.177 2.311 1 T 5.080e+00 0.00e+00 a 0 - - - >> 453 3.230 38.241 4.269 1 T 3.335e+00 0.00e+00 a 0 - - - >> 454 3.240 38.043 4.597 1 T 2.166e+00 0.00e+00 a 0 - - - >> 455 3.239 38.209 6.737 1 T 3.821e+00 0.00e+00 a 0 - - - >> 456 3.520 37.418 3.511 1 T 1.089e+01 0.00e+00 a 0 - - - >> 457 3.523 37.403 3.342 1 T 8.494e+00 0.00e+00 a 0 - - - >> 458 3.536 37.390 4.006 1 T 1.855e+00 0.00e+00 a 0 - - - >> 459 3.528 37.451 7.414 1 T 2.371e+00 0.00e+00 a 0 - - - >> 460 4.578 56.729 5.032 1 T 1.886e+01 0.00e+00 a 0 - - - >> 461 2.920 38.653 4.565 1 T 3.400e+00 0.00e+00 a 0 - - - >> 462 2.932 38.651 4.010 1 T 3.542e+00 0.00e+00 a 0 - - - >> 463 2.996 38.679 4.557 1 T 3.833e+00 0.00e+00 a 0 - - - >> 464 2.980 38.654 4.015 1 T 2.874e+00 0.00e+00 a 0 - - - >> 465 2.997 38.632 2.959 1 T 7.255e+01 0.00e+00 a 0 - - - >> 466 2.928 38.472 2.962 1 T 8.626e+01 0.00e+00 a 0 - - - >> 467 4.422 56.631 4.433 1 T 1.219e+02 0.00e+00 a 0 - - - >> 468 4.421 56.684 2.786 1 T 1.227e+01 0.00e+00 a 0 - - - >> 469 2.783 40.249 4.420 1 T 3.755e+00 0.00e+00 a 0 - - - >> 470 4.583 54.104 4.580 1 T 1.347e+02 0.00e+00 a 0 - - - >> 471 4.583 53.883 1.709 1 T 4.304e+00 0.00e+00 a 0 - - - >> 472 4.582 53.996 1.342 1 T 1.097e+01 0.00e+00 a 0 - - - >> 473 4.584 53.968 0.631 1 T 9.369e+00 0.00e+00 a 0 - - - >> 474 2.210 39.919 2.702 1 T 1.016e+01 0.00e+00 a 0 - - - >> 475 2.212 40.042 2.207 1 T 1.003e+01 0.00e+00 a 0 - - - >> 476 2.206 40.045 4.654 1 T 1.994e+00 0.00e+00 a 0 - - - >> 477 3.934 46.677 3.928 1 T 9.530e+01 0.00e+00 a 0 - - - >> 478 1.329 44.192 4.588 1 T 3.658e+00 0.00e+00 a 0 - - - >> 479 1.331 44.181 1.722 1 T 6.051e+00 0.00e+00 a 0 - - - >> 480 1.333 44.238 1.367 1 T 2.601e+01 0.00e+00 a 0 - - - >> 481 1.337 44.241 0.639 1 T 3.084e+00 0.00e+00 a 0 - - - >> 482 1.421 44.180 0.614 1 T 3.384e+00 0.00e+00 a 0 - - - >> 483 1.416 44.159 4.564 1 T 2.736e+00 0.00e+00 a 0 - - - >> 484 1.341 27.144 4.546 1 T 2.015e+00 0.00e+00 a 0 - - - >> 485 1.287 24.715 4.199 1 T 2.481e+00 0.00e+00 a 0 - - - >> 486 1.337 25.011 1.831 1 T 7.655e+00 0.00e+00 a 0 - - - >> 487 1.175 24.575 1.227 1 T 2.984e+01 0.00e+00 a 0 - - - >> 488 1.166 24.685 1.946 1 T 4.594e+00 0.00e+00 a 0 - - - >> 489 3.415 44.107 2.957 1 T 1.059e+01 0.00e+00 a 0 - - - >> 490 3.412 44.167 3.409 1 T 1.286e+01 0.00e+00 a 0 - - - >> 491 3.409 44.085 0.518 1 T 2.986e+00 0.00e+00 a 0 - - - >> 492 3.400 44.063 5.364 1 T 2.806e+00 0.00e+00 a 0 - - - >> 493 3.401 44.115 7.119 1 T 3.168e+00 0.00e+00 a 0 - - - >> 494 3.405 44.120 7.376 1 T 4.949e+00 0.00e+00 a 0 - - - >> 495 4.186 56.643 6.368 1 T 7.164e+00 0.00e+00 a 0 - - - >> 496 4.138 56.177 6.378 1 T 9.569e+00 0.00e+00 a 0 - - - >> 497 4.103 54.956 4.106 1 T 2.502e+02 0.00e+00 a 0 - - - >> 498 4.138 56.192 2.808 1 T 2.030e+01 0.00e+00 a 0 - - - >> 499 4.142 56.166 2.554 1 T 1.170e+01 0.00e+00 a 0 - - - >> 500 4.193 56.680 1.895 1 T 1.041e+01 0.00e+00 a 0 - - - >> 501 4.188 56.711 1.464 1 T 8.072e+00 0.00e+00 a 0 - - - >> 502 4.185 56.695 1.233 1 T 9.910e+00 0.00e+00 a 0 - - - >> 503 5.162 57.811 7.472 1 T 2.624e+00 0.00e+00 a 0 - - - >> 504 5.161 57.673 5.381 1 T 1.787e+01 0.00e+00 a 0 - - - >> 505 5.159 57.688 5.160 1 T 7.825e+01 0.00e+00 a 0 - - - >> 506 5.159 57.688 4.369 1 T 1.271e+01 0.00e+00 a 0 - - - >> 507 5.161 57.703 3.231 1 T 1.627e+01 0.00e+00 a 0 - - - >> 508 5.165 57.706 -0.860 1 T 2.756e+00 0.00e+00 a 0 - - - >> 509 3.240 30.030 3.228 1 T 3.478e+01 0.00e+00 a 0 - - - >> 510 3.242 30.057 5.155 1 T 2.759e+00 0.00e+00 a 0 - - - >> 511 3.234 29.977 7.490 1 T 3.791e+00 0.00e+00 a 0 - - - >> 512 4.245 71.795 4.243 1 T 1.671e+02 0.00e+00 a 0 - - - >> 513 4.250 71.788 4.814 1 T 1.607e+01 0.00e+00 a 0 - - - >> 514 4.244 71.777 1.228 1 T 3.344e+01 0.00e+00 a 0 - - - >> 515 1.139 21.862 0.757 1 T 1.779e+01 0.00e+00 a 0 - - - >> 516 4.954 56.912 4.949 1 T 6.322e+01 0.00e+00 a 0 - - - >> 517 4.954 56.843 5.700 1 T 1.346e+01 0.00e+00 a 0 - - - >> 518 4.956 57.014 2.963 1 T 7.686e+00 0.00e+00 a 0 - - - >> 519 4.952 57.004 2.573 1 T 5.182e+00 0.00e+00 a 0 - - - >> 520 4.956 57.163 1.093 1 T 1.664e+00 0.00e+00 a 0 - - - >> 521 2.956 41.581 2.585 1 T 1.089e+01 0.00e+00 a 0 - - - >> 522 2.963 41.458 4.972 1 T 2.856e+00 0.00e+00 a 0 - - - >> 523 2.578 41.455 4.935 1 T 2.374e+00 0.00e+00 a 0 - - - >> 524 2.608 40.161 2.776 1 T 2.781e+01 0.00e+00 a 0 - - - >> 525 4.592 51.762 4.598 1 T 1.694e+02 0.00e+00 a 0 - - - >> 526 4.599 51.847 2.605 1 T 1.106e+01 0.00e+00 a 0 - - - >> 527 4.593 51.751 2.249 1 T 1.779e+01 0.00e+00 a 0 - - - >> 528 2.648 43.154 2.673 1 T 7.666e+01 0.00e+00 a 0 - - - >> 529 2.717 43.171 2.660 1 T 5.378e+01 0.00e+00 a 0 - - - >> 530 2.716 43.093 4.888 1 T 5.597e+00 0.00e+00 a 0 - - - >> 531 2.651 43.143 4.892 1 T 5.833e+00 0.00e+00 a 0 - - - >> 532 2.617 43.008 4.604 1 T 3.699e+00 0.00e+00 a 0 - - - >> 533 2.617 43.032 2.258 1 T 2.196e+01 0.00e+00 a 0 - - - >> 534 2.618 43.057 3.791 1 T 2.112e+00 0.00e+00 a 0 - - - >> 535 2.258 43.047 2.258 1 T 2.392e+01 0.00e+00 a 0 - - - >> 536 2.266 43.037 2.606 1 T 1.886e+01 0.00e+00 a 0 - - - >> 537 2.260 43.024 4.592 1 T 5.372e+00 0.00e+00 a 0 - - - >> 538 4.104 54.957 1.499 1 T 5.653e+01 0.00e+00 a 0 - - - >> 539 4.133 56.196 1.212 1 T 3.817e+00 0.00e+00 a 0 - - - >> 540 4.103 54.978 -0.800 1 T 1.826e+00 0.00e+00 a 0 - - - >> 541 1.513 18.294 8.332 1 T 2.548e+00 0.00e+00 a 0 - - - >> 542 1.506 18.343 4.391 1 T 2.885e+00 0.00e+00 a 0 - - - >> 543 4.396 70.141 4.392 1 T 1.746e+02 0.00e+00 a 0 - - - >> 544 4.400 70.095 3.785 1 T 2.457e+00 0.00e+00 a 0 - - - >> 545 4.391 70.151 1.064 1 T 3.485e+01 0.00e+00 a 0 - - - >> 546 1.076 21.082 3.818 1 T 2.394e+00 0.00e+00 a 0 - - - >> 547 4.189 56.670 7.400 1 T 2.791e+00 0.00e+00 a 0 - - - >> 548 4.190 56.703 4.186 1 T 1.036e+02 0.00e+00 a 0 - - - >> 549 4.200 56.561 2.949 1 T 2.223e+00 0.00e+00 a 0 - - - >> 550 1.150 24.849 2.872 1 T 2.405e+00 0.00e+00 a 0 - - - >> 551 1.161 24.473 4.173 1 T 2.308e+00 0.00e+00 a 0 - - - >> 552 1.286 28.339 4.186 1 T 2.262e+00 0.00e+00 a 0 - - - >> 553 1.294 28.238 2.922 1 T 4.661e+00 0.00e+00 a 0 - - - >> 554 1.320 28.219 1.931 1 T 3.957e+00 0.00e+00 a 0 - - - >> 555 1.337 26.962 1.346 1 T 4.583e+01 0.00e+00 a 0 - - - >> 556 5.615 61.768 5.611 1 T 1.142e+02 0.00e+00 a 0 - - - >> 557 5.616 61.589 7.734 1 T 1.669e+00 0.00e+00 a 0 - - - >> 558 5.625 61.772 3.788 1 T 5.605e+00 0.00e+00 a 0 - - - >> 559 5.615 61.803 1.939 1 T 6.975e+00 0.00e+00 a 0 - - - >> 560 5.613 61.622 1.500 1 T 1.668e+00 0.00e+00 a 0 - - - >> 561 5.623 61.819 1.008 1 T 1.563e+01 0.00e+00 a 0 - - - >> 562 3.780 72.246 1.002 1 T 2.520e+01 0.00e+00 a 0 - - - >> 563 1.007 20.890 5.617 1 T 1.309e+01 0.00e+00 a 0 - - - >> 564 0.959 21.042 4.159 1 T 1.290e+01 0.00e+00 a 0 - - - >> 565 0.992 20.719 3.828 1 T 4.006e+01 0.00e+00 a 0 - - - >> 566 0.991 20.701 1.927 1 T 1.419e+01 0.00e+00 a 0 - - - >> 567 1.002 20.778 1.473 1 T 1.137e+01 0.00e+00 a 0 - - - >> 568 5.684 57.114 3.066 1 T 6.343e+00 0.00e+00 a 0 - - - >> 569 5.683 57.245 1.014 1 T 1.826e+00 0.00e+00 a 0 - - - >> 570 5.688 57.108 4.955 1 T 1.151e+01 0.00e+00 a 0 - - - >> 571 5.686 57.094 5.698 1 T 4.528e+01 0.00e+00 a 0 - - - >> 572 5.685 57.173 7.773 1 T 3.797e+00 0.00e+00 a 0 - - - >> 573 4.948 62.290 4.954 1 T 6.558e+01 0.00e+00 a 0 - - - >> 574 4.948 62.250 3.839 1 T 4.184e+00 0.00e+00 a 0 - - - >> 575 4.956 62.224 1.931 1 T 7.936e+00 0.00e+00 a 0 - - - >> 576 4.947 62.256 0.984 1 T 1.540e+01 0.00e+00 a 0 - - - >> 577 5.068 62.168 4.962 1 T 1.058e+01 0.00e+00 a 0 - - - >> 578 5.070 62.099 1.925 1 T 1.918e+00 0.00e+00 a 0 - - - >> 579 5.066 62.141 0.989 1 T 3.482e+00 0.00e+00 a 0 - - - >> 580 5.066 62.292 0.776 1 T 1.613e+00 0.00e+00 a 0 - - - >> 581 0.828 32.118 4.334 1 T 2.724e+00 0.00e+00 a 0 - - - >> 582 0.829 32.155 0.827 1 T 2.568e+01 0.00e+00 a 0 - - - >> 583 0.827 32.183 0.069 1 T 6.136e+00 0.00e+00 a 0 - - - >> 584 0.841 32.113 -0.165 1 T 4.986e+00 0.00e+00 a 0 - - - >> 585 0.809 32.176 -0.869 1 T 4.419e+00 0.00e+00 a 0 - - - >> 586 0.831 32.026 -0.464 1 T 2.261e+00 0.00e+00 a 0 - - - >> 587 -0.852 18.701 -0.858 1 T 1.162e+02 0.00e+00 a 0 - - - >> 588 -0.850 18.718 -0.474 1 T 2.563e+01 0.00e+00 a 0 - - - >> 589 -0.849 18.769 -0.172 1 T 8.295e+00 0.00e+00 a 0 - - - >> 590 -0.849 18.707 0.076 1 T 3.072e+00 0.00e+00 a 0 - - - >> 591 -0.849 18.771 0.815 1 T 5.215e+00 0.00e+00 a 0 - - - >> 592 -0.858 18.771 4.374 1 T 4.083e+00 0.00e+00 a 0 - - - >> 593 -0.853 18.758 7.481 1 T 1.445e+00 0.00e+00 a 0 - - - >> 594 -0.171 19.653 -0.164 1 T 1.657e+02 0.00e+00 a 0 - - - >> 595 -0.170 19.634 0.101 1 T 3.880e+01 0.00e+00 a 0 - - - >> 596 -0.172 19.578 0.819 1 T 7.121e+00 0.00e+00 a 0 - - - >> 597 -0.177 19.627 4.176 1 T 4.697e+00 0.00e+00 a 0 - - - >> 598 -0.174 19.663 4.375 1 T 5.487e+00 0.00e+00 a 0 - - - >> 599 4.734 61.263 4.731 1 T 1.262e+02 0.00e+00 a 0 - - - >> 600 4.735 61.420 1.263 1 T 1.137e+01 0.00e+00 a 0 - - - >> 601 3.972 70.489 2.031 1 T 4.147e+00 0.00e+00 a 0 - - - >> 602 3.975 70.588 1.248 1 T 2.749e+01 0.00e+00 a 0 - - - >> 603 3.964 70.637 4.716 1 T 6.315e+00 0.00e+00 a 0 - - - >> 604 3.976 70.575 3.968 1 T 1.223e+02 0.00e+00 a 0 - - - >> 605 4.203 58.357 4.214 1 T 1.769e+02 0.00e+00 a 0 - - - >> 606 4.201 58.349 3.691 1 T 6.119e+00 0.00e+00 a 0 - - - >> 607 4.200 58.345 2.361 1 T 1.119e+01 0.00e+00 a 0 - - - >> 608 4.203 58.328 2.144 1 T 8.826e+00 0.00e+00 a 0 - - - >> 609 4.202 58.335 1.935 1 T 8.781e+00 0.00e+00 a 0 - - - >> 610 1.964 31.379 2.005 1 T 5.752e+01 0.00e+00 a 0 - - - >> 611 1.953 32.525 4.200 1 T 3.300e+00 0.00e+00 a 0 - - - >> 612 1.957 32.520 4.492 1 T 2.576e+00 0.00e+00 a 0 - - - >> 613 1.964 31.379 2.005 1 T 5.752e+01 0.00e+00 a 0 - - - >> 614 2.314 36.997 4.207 1 T 3.254e+00 0.00e+00 a 0 - - - >> 615 2.333 36.353 2.252 1 T 1.251e+02 0.00e+00 a 0 - - - >> 616 -0.029 13.402 -0.022 1 T 7.527e+00 0.00e+00 a 0 - - - >> 617 -0.034 13.430 0.465 1 T 2.470e+01 0.00e+00 a 0 - - - >> 618 -0.469 19.434 -0.480 1 T 4.147e+00 0.00e+00 a 0 - - - >> 619 -0.461 19.344 -0.853 1 T 1.477e+01 0.00e+00 a 0 - - - >> 620 0.110 19.769 -0.164 1 T 2.307e+01 0.00e+00 a 0 - - - >> 621 0.455 25.022 0.841 1 T 4.003e+01 0.00e+00 a 0 - - - >> 622 0.460 25.049 0.454 1 T 1.110e+01 0.00e+00 a 0 - - - >> 623 2.959 31.062 2.954 1 T 8.639e+02 0.00e+00 a 0 - - - >> 624 2.957 30.996 4.548 1 T 2.370e+01 0.00e+00 a 0 - - - >> 625 2.964 30.954 6.846 1 T 5.275e+00 0.00e+00 a 0 - - - >> 626 2.705 39.911 2.220 1 T 1.217e+01 0.00e+00 a 0 - - - >> 627 2.958 41.422 7.765 1 T 2.292e+00 0.00e+00 a 0 - - - >> 628 3.007 41.391 7.748 1 T 3.428e+00 0.00e+00 a 0 - - - >> 629 3.108 41.364 7.772 1 T 3.578e+00 0.00e+00 a 0 - - - >> 630 3.109 41.383 5.688 1 T 2.251e+00 0.00e+00 a 0 - - - >> 631 3.118 41.594 5.433 1 T 2.697e+00 0.00e+00 a 0 - - - >> 632 3.006 41.288 5.690 1 T 1.683e+00 0.00e+00 a 0 - - - >> 633 3.004 41.522 5.406 1 T 2.009e+00 0.00e+00 a 0 - - - >> 634 -0.860 18.858 6.583 1 T 1.814e+00 0.00e+00 a 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-aliphatic . aliased 14.019506193 ppm . . . 4.773 . . 30222 3 >> 2 . . N 15 C-aliphatic . aliased 70.014740325 ppm . . . 45.736 . . 30222 3 >> 3 . . H 1 H . aliased 14.019506193 ppm . . . 4.773 . . 30222 3 >> >> stop_ >> >>save_ >> ; save_