data_30543 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of the homodimeric, autoinhibited state of the CARD9 CARD and first coiled-coil ; _BMRB_accession_number 30543 _BMRB_flat_file_name bmr30543.str _Entry_type original _Submission_date 2018-11-13 _Accession_date 2018-11-13 _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 Holliday M. J. . 2 Fairbrother W. J. . 3 Dueber E. C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 spectral_peak_list 5 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 959 "13C chemical shifts" 1038 "15N chemical shifts" 270 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-07-24 update BMRB 'update entry citation' 2019-07-12 original author 'original release' stop_ _Original_release_date 2018-12-10 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structures of autoinhibited and polymerized forms of CARD9 reveal mechanisms of CARD9 and CARD11 activation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31296852 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Holliday M. J. . 2 Witt A. . . 3 'Rodriguez Gama' A. . . 4 Walters B. T. . 5 Arthur C. P. . 6 Halfmann R. . . 7 Rohou A. . . 8 Dueber E. C. . 9 Fairbrother W. J. . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 10 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3070 _Page_last 3070 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Caspase recruitment domain-containing protein 9' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, 1' $entity_1 'entity_1, 2' $entity_1 'entity_2, 1' $entity_ZN 'entity_2, 2' $entity_ZN 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 16116.458 _Mol_thiol_state 'other bound and free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; GSDYENDDECWSVLEGFRVT LTSVIDPSRITPYLRQCKVL NPDDEEQVLSDPNLVIRKRK VGVLLDILQRTGHKGYVAFL ESLELYYPQLYKKVTGKEPA RVFSMIIDASGESGLTQLLM TEVMKLQKKVQDLTALLSSK DD ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ASP 4 TYR 5 GLU 6 ASN 7 ASP 8 ASP 9 GLU 10 CYS 11 TRP 12 SER 13 VAL 14 LEU 15 GLU 16 GLY 17 PHE 18 ARG 19 VAL 20 THR 21 LEU 22 THR 23 SER 24 VAL 25 ILE 26 ASP 27 PRO 28 SER 29 ARG 30 ILE 31 THR 32 PRO 33 TYR 34 LEU 35 ARG 36 GLN 37 CYS 38 LYS 39 VAL 40 LEU 41 ASN 42 PRO 43 ASP 44 ASP 45 GLU 46 GLU 47 GLN 48 VAL 49 LEU 50 SER 51 ASP 52 PRO 53 ASN 54 LEU 55 VAL 56 ILE 57 ARG 58 LYS 59 ARG 60 LYS 61 VAL 62 GLY 63 VAL 64 LEU 65 LEU 66 ASP 67 ILE 68 LEU 69 GLN 70 ARG 71 THR 72 GLY 73 HIS 74 LYS 75 GLY 76 TYR 77 VAL 78 ALA 79 PHE 80 LEU 81 GLU 82 SER 83 LEU 84 GLU 85 LEU 86 TYR 87 TYR 88 PRO 89 GLN 90 LEU 91 TYR 92 LYS 93 LYS 94 VAL 95 THR 96 GLY 97 LYS 98 GLU 99 PRO 100 ALA 101 ARG 102 VAL 103 PHE 104 SER 105 MET 106 ILE 107 ILE 108 ASP 109 ALA 110 SER 111 GLY 112 GLU 113 SER 114 GLY 115 LEU 116 THR 117 GLN 118 LEU 119 LEU 120 MET 121 THR 122 GLU 123 VAL 124 MET 125 LYS 126 LEU 127 GLN 128 LYS 129 LYS 130 VAL 131 GLN 132 ASP 133 LEU 134 THR 135 ALA 136 LEU 137 LEU 138 SER 139 SER 140 LYS 141 ASP 142 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens CARD9 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . BL21(DE3) . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' $entity_ZN 1 mM 'natural abundance' HEPES 50 mM 'natural abundance' NaCl 300 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' $entity_ZN 1 mM 'natural abundance' HEPES 50 mM 'natural abundance' NaCl 300 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C; U-15N; U-2H] CARD9_2-142, 1 mM Zinc, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N; U-2H]' $entity_ZN 1 mM 'natural abundance' HEPES 50 mM 'natural abundance' NaCl 300 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C; U-15N] CARD9_2-142, unlabeled 1 mM CARD9_2-142, 2 mM Zinc, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' $entity_ZN 2 mM 'natural abundance' 'unlabeled CARD9_2-142' 1 mM 'natural abundance' HEPES 50 mM 'natural abundance' NaCl 300 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type 'filamentous virus' _Details '1 mM [U-13C; U-15N] CARD9_2-142, 1 mM Zinc, 14 mg/mL filamentous Pf1 bacteriophage, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' $entity_ZN 1 mM 'natural abundance' 'filamentous Pf1 bacteriophage' 14 mg/mL 'natural abundance' HEPES 50 mM 'natural abundance' NaCl 900 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version 3.97 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name Analysis _Version 2.42 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_TROSY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C TROSY aromatic' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCB' _Sample_label $sample_3 save_ save_3D_(H)CC(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_3 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_3D_HNCO_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_1H-13C_interNOESY_aliphatic_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C interNOESY aliphatic' _Sample_label $sample_4 save_ save_2D_IPAP_1H-15N_TROSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D IPAP 1H-15N TROSY' _Sample_label $sample_5 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' 300 . mM pH 7.0 . pH pressure 1 . atm temperature 310 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 900 . mM pH 7.0 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N TROSY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C TROSY aromatic' '3D HNCA' '3D HNCB' '3D (H)CC(CO)NH' '3D 1H-15N NOESY' '3D HN(CA)CO' '3D HNCO' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-13C interNOESY aliphatic' stop_ loop_ _Sample_label $sample_3 $sample_2 $sample_1 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 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 2 2 SER C C 174.184 . 1 2 2 2 SER CA C 58.524 0.498 1 3 2 2 SER CB C 64.465 . 1 4 3 3 ASP H H 8.381 0.028 1 5 3 3 ASP C C 175.800 . 1 6 3 3 ASP CA C 54.275 0.023 1 7 3 3 ASP N N 122.023 0.314 1 8 4 4 TYR H H 7.995 0.002 1 9 4 4 TYR HD1 H 7.145 . 1 10 4 4 TYR HD2 H 7.145 . 1 11 4 4 TYR C C 175.599 . 1 12 4 4 TYR CA C 57.146 0.006 1 13 4 4 TYR CB C 37.998 0.0 1 14 4 4 TYR CD1 C 133.207 . 1 15 4 4 TYR CD2 C 133.207 . 1 16 4 4 TYR N N 118.997 0.059 1 17 5 5 GLU H H 8.218 0.001 1 18 5 5 GLU C C 175.510 . 1 19 5 5 GLU CA C 55.868 0.057 1 20 5 5 GLU CB C 29.957 0.009 1 21 5 5 GLU N N 122.018 0.069 1 22 6 6 ASN H H 8.302 0.002 1 23 6 6 ASN C C 174.947 . 1 24 6 6 ASN CA C 53.170 . 1 25 6 6 ASN CB C 38.966 . 1 26 6 6 ASN N N 119.375 0.053 1 27 7 7 ASP C C 175.522 . 1 28 7 7 ASP CA C 52.893 0.035 1 29 8 8 ASP H H 8.403 0.004 1 30 8 8 ASP CA C 55.701 . 1 31 8 8 ASP N N 121.199 0.11 1 32 10 10 CYS H H 7.353 . 1 33 10 10 CYS C C 177.441 . 1 34 10 10 CYS N N 120.125 . 1 35 11 11 TRP H H 7.360 0.004 1 36 11 11 TRP HD1 H 7.533 . 1 37 11 11 TRP HE1 H 9.625 . 1 38 11 11 TRP HE3 H 7.689 . 1 39 11 11 TRP HZ2 H 6.908 . 1 40 11 11 TRP HZ3 H 6.635 . 1 41 11 11 TRP HH2 H 6.510 . 1 42 11 11 TRP C C 179.199 0.049 1 43 11 11 TRP CA C 60.653 0.085 1 44 11 11 TRP CB C 28.338 . 1 45 11 11 TRP CD1 C 127.640 . 1 46 11 11 TRP CE3 C 120.225 . 1 47 11 11 TRP CZ2 C 114.156 . 1 48 11 11 TRP CZ3 C 121.816 . 1 49 11 11 TRP CH2 C 124.410 . 1 50 11 11 TRP N N 114.841 0.053 1 51 11 11 TRP NE1 N 127.357 . 1 52 12 12 SER H H 8.203 0.004 1 53 12 12 SER C C 177.297 . 1 54 12 12 SER CA C 61.599 0.061 1 55 12 12 SER CB C 62.026 . 1 56 12 12 SER N N 115.068 0.066 1 57 13 13 VAL H H 7.506 0.009 1 58 13 13 VAL C C 178.697 . 1 59 13 13 VAL CA C 64.865 0.0 1 60 13 13 VAL CB C 30.867 0.024 1 61 13 13 VAL N N 121.586 0.09 1 62 14 14 LEU H H 7.384 0.002 1 63 14 14 LEU CA C 55.956 0.036 1 64 14 14 LEU CB C 40.787 0.023 1 65 14 14 LEU N N 117.598 0.05 1 66 15 15 GLU H H 8.071 0.002 1 67 15 15 GLU C C 179.786 . 1 68 15 15 GLU CA C 59.210 0.023 1 69 15 15 GLU CB C 28.558 0.012 1 70 15 15 GLU N N 120.258 0.056 1 71 16 16 GLY H H 8.070 0.003 1 72 16 16 GLY C C 174.758 0.12 1 73 16 16 GLY CA C 45.694 0.075 1 74 16 16 GLY N N 105.403 0.059 1 75 17 17 PHE H H 7.939 0.006 1 76 17 17 PHE C C 176.172 . 1 77 17 17 PHE CA C 57.217 0.025 1 78 17 17 PHE CB C 39.382 0.017 1 79 17 17 PHE N N 116.773 0.103 1 80 18 18 ARG H H 7.759 0.002 1 81 18 18 ARG C C 178.326 . 1 82 18 18 ARG CA C 61.634 . 1 83 18 18 ARG CB C 29.871 . 1 84 18 18 ARG N N 122.908 0.047 1 85 19 19 VAL H H 8.638 . 1 86 19 19 VAL C C 178.515 0.111 1 87 19 19 VAL N N 118.292 . 1 88 20 20 THR H H 7.652 0.005 1 89 20 20 THR C C 176.156 0.114 1 90 20 20 THR CA C 66.390 0.129 1 91 20 20 THR CB C 68.248 0.07 1 92 20 20 THR N N 119.133 0.113 1 93 21 21 LEU H H 8.585 0.002 1 94 21 21 LEU C C 179.046 0.121 1 95 21 21 LEU CA C 58.375 0.079 1 96 21 21 LEU CB C 41.267 0.024 1 97 21 21 LEU N N 118.324 0.091 1 98 22 22 THR H H 8.517 0.008 1 99 22 22 THR C C 175.407 0.118 1 100 22 22 THR CA C 64.015 0.044 1 101 22 22 THR CB C 68.603 0.007 1 102 22 22 THR N N 106.007 0.092 1 103 23 23 SER H H 7.556 0.007 1 104 23 23 SER C C 175.268 0.117 1 105 23 23 SER CA C 60.499 0.036 1 106 23 23 SER CB C 63.402 0.008 1 107 23 23 SER N N 114.435 0.084 1 108 24 24 VAL H H 7.373 0.005 1 109 24 24 VAL C C 176.008 0.118 1 110 24 24 VAL CA C 63.617 0.037 1 111 24 24 VAL CB C 33.393 0.018 1 112 24 24 VAL N N 117.895 0.124 1 113 25 25 ILE H H 7.137 0.004 1 114 25 25 ILE C C 174.506 0.115 1 115 25 25 ILE CA C 62.693 0.07 1 116 25 25 ILE CB C 37.674 0.045 1 117 25 25 ILE N N 116.549 0.078 1 118 26 26 ASP H H 7.922 0.006 1 119 26 26 ASP C C 176.597 . 1 120 26 26 ASP CA C 49.069 . 1 121 26 26 ASP CB C 40.675 . 1 122 26 26 ASP N N 124.240 0.081 1 123 27 27 PRO C C 177.419 0.122 1 124 27 27 PRO CA C 64.472 0.047 1 125 27 27 PRO CG C 30.709 . 1 126 28 28 SER H H 8.046 0.006 1 127 28 28 SER C C 175.196 0.116 1 128 28 28 SER CA C 60.607 0.021 1 129 28 28 SER CB C 62.398 0.018 1 130 28 28 SER N N 112.571 0.125 1 131 29 29 ARG H H 7.652 0.003 1 132 29 29 ARG C C 177.345 0.115 1 133 29 29 ARG CA C 56.449 0.009 1 134 29 29 ARG CB C 30.252 0.094 1 135 29 29 ARG N N 119.809 0.093 1 136 30 30 ILE H H 6.652 0.004 1 137 30 30 ILE C C 176.368 0.122 1 138 30 30 ILE CA C 61.090 0.06 1 139 30 30 ILE CB C 38.457 0.039 1 140 30 30 ILE N N 104.268 0.083 1 141 31 31 THR H H 7.947 0.005 1 142 31 31 THR CA C 68.349 . 1 143 31 31 THR CB C 67.091 . 1 144 31 31 THR N N 116.302 0.084 1 145 32 32 PRO C C 179.404 0.123 1 146 32 32 PRO CA C 66.354 . 1 147 32 32 PRO CB C 29.969 0.011 1 148 33 33 TYR H H 7.634 0.008 1 149 33 33 TYR HE1 H 6.505 . 1 150 33 33 TYR HE2 H 6.505 . 1 151 33 33 TYR C C 178.152 . 1 152 33 33 TYR CA C 61.253 0.071 1 153 33 33 TYR CB C 38.950 0.007 1 154 33 33 TYR N N 118.667 0.086 1 155 34 34 LEU H H 7.827 0.001 1 156 34 34 LEU C C 179.753 0.119 1 157 34 34 LEU CA C 57.348 0.043 1 158 34 34 LEU CB C 40.767 0.017 1 159 34 34 LEU N N 117.501 0.054 1 160 35 35 ARG H H 9.004 0.005 1 161 35 35 ARG C C 181.301 0.118 1 162 35 35 ARG CA C 58.389 0.093 1 163 35 35 ARG CB C 28.676 0.059 1 164 35 35 ARG N N 120.285 0.122 1 165 36 36 GLN H H 8.039 0.007 1 166 36 36 GLN C C 177.835 0.121 1 167 36 36 GLN CA C 58.236 0.022 1 168 36 36 GLN CB C 27.556 0.02 1 169 36 36 GLN N N 121.310 0.058 1 170 37 37 CYS H H 7.469 0.005 1 171 37 37 CYS C C 173.021 0.12 1 172 37 37 CYS CA C 61.321 0.061 1 173 37 37 CYS CB C 27.658 0.021 1 174 37 37 CYS N N 113.620 0.077 1 175 38 38 LYS H H 7.903 0.006 1 176 38 38 LYS C C 176.208 0.112 1 177 38 38 LYS CA C 57.048 0.113 1 178 38 38 LYS CB C 27.601 0.02 1 179 38 38 LYS N N 111.362 0.102 1 180 39 39 VAL H H 7.231 0.006 1 181 39 39 VAL C C 173.622 0.119 1 182 39 39 VAL CA C 60.992 0.005 1 183 39 39 VAL CB C 30.941 0.009 1 184 39 39 VAL N N 107.930 0.118 1 185 40 40 LEU H H 6.678 0.008 1 186 40 40 LEU HA H 4.708 . 1 187 40 40 LEU HB2 H 1.443 . 2 188 40 40 LEU HB3 H 1.065 . 2 189 40 40 LEU C C 175.305 0.105 1 190 40 40 LEU CA C 52.554 0.007 1 191 40 40 LEU CB C 45.062 0.008 1 192 40 40 LEU N N 118.346 0.1 1 193 41 41 ASN H H 9.690 0.005 1 194 41 41 ASN C C 174.680 . 1 195 41 41 ASN CA C 51.213 . 1 196 41 41 ASN CB C 37.556 . 1 197 41 41 ASN N N 125.655 0.088 1 198 42 42 PRO C C 178.681 0.119 1 199 42 42 PRO CA C 65.787 0.008 1 200 42 42 PRO CB C 30.912 . 1 201 43 43 ASP H H 8.346 0.006 1 202 43 43 ASP C C 178.682 0.118 1 203 43 43 ASP CA C 56.329 0.005 1 204 43 43 ASP CB C 39.011 0.036 1 205 43 43 ASP N N 116.317 0.112 1 206 44 44 ASP H H 7.737 0.009 1 207 44 44 ASP C C 177.973 . 1 208 44 44 ASP CA C 56.477 0.043 1 209 44 44 ASP CB C 41.282 0.009 1 210 44 44 ASP N N 120.660 0.104 1 211 45 45 GLU H H 7.822 0.001 1 212 45 45 GLU C C 177.779 . 1 213 45 45 GLU CA C 59.648 0.007 1 214 45 45 GLU CB C 29.088 0.007 1 215 45 45 GLU N N 118.125 0.06 1 216 46 46 GLU H H 7.839 0.002 1 217 46 46 GLU C C 178.865 0.117 1 218 46 46 GLU CA C 58.627 0.023 1 219 46 46 GLU CB C 28.689 0.081 1 220 46 46 GLU N N 117.150 0.073 1 221 47 47 GLN H H 7.658 0.005 1 222 47 47 GLN C C 177.137 0.122 1 223 47 47 GLN CA C 57.823 0.006 1 224 47 47 GLN CB C 28.055 0.025 1 225 47 47 GLN N N 117.363 0.125 1 226 48 48 VAL H H 7.523 0.004 1 227 48 48 VAL C C 176.306 . 1 228 48 48 VAL CA C 63.859 . 1 229 48 48 VAL CB C 31.416 . 1 230 48 48 VAL N N 114.905 0.107 1 231 49 49 LEU H H 7.804 0.004 1 232 49 49 LEU C C 179.021 0.124 1 233 49 49 LEU CA C 55.498 0.042 1 234 49 49 LEU CB C 41.348 0.012 1 235 49 49 LEU N N 115.162 0.046 1 236 50 50 SER H H 7.965 0.007 1 237 50 50 SER C C 173.985 0.118 1 238 50 50 SER CA C 57.733 0.048 1 239 50 50 SER CB C 63.814 0.028 1 240 50 50 SER N N 113.354 0.12 1 241 51 51 ASP H H 7.946 0.013 1 242 51 51 ASP CA C 51.796 . 1 243 51 51 ASP CB C 42.205 . 1 244 51 51 ASP N N 123.240 0.129 1 245 52 52 PRO C C 177.191 0.115 1 246 52 52 PRO CA C 63.588 0.066 1 247 52 52 PRO CB C 31.045 0.001 1 248 53 53 ASN H H 8.696 0.005 1 249 53 53 ASN C C 175.650 . 1 250 53 53 ASN CA C 53.557 0.036 1 251 53 53 ASN CB C 38.494 0.008 1 252 53 53 ASN N N 116.198 0.063 1 253 54 54 LEU H H 8.052 0.003 1 254 54 54 LEU C C 176.339 0.119 1 255 54 54 LEU CA C 55.057 0.044 1 256 54 54 LEU CB C 40.826 0.012 1 257 54 54 LEU N N 123.629 0.048 1 258 55 55 VAL H H 7.936 0.017 1 259 55 55 VAL C C 177.229 0.116 1 260 55 55 VAL CA C 63.984 0.028 1 261 55 55 VAL CB C 31.432 0.004 1 262 55 55 VAL N N 117.819 0.147 1 263 56 56 ILE H H 7.675 0.012 1 264 56 56 ILE CA C 60.829 . 1 265 56 56 ILE CB C 37.485 . 1 266 56 56 ILE N N 119.869 0.138 1 267 57 57 ARG C C 178.210 0.115 1 268 57 57 ARG CA C 60.412 0.015 1 269 57 57 ARG CB C 29.547 0.018 1 270 58 58 LYS H H 8.437 0.011 1 271 58 58 LYS C C 179.840 . 1 272 58 58 LYS CA C 59.029 0.05 1 273 58 58 LYS CB C 31.842 0.014 1 274 58 58 LYS N N 115.957 0.095 1 275 59 59 ARG H H 7.310 0.002 1 276 59 59 ARG C C 179.322 . 1 277 59 59 ARG CA C 57.733 0.093 1 278 59 59 ARG CB C 28.966 0.038 1 279 59 59 ARG N N 118.097 0.06 1 280 60 60 LYS H H 8.019 0.003 1 281 60 60 LYS C C 178.790 . 1 282 60 60 LYS CA C 59.095 0.034 1 283 60 60 LYS CB C 31.864 0.014 1 284 60 60 LYS N N 119.968 0.08 1 285 61 61 VAL H H 8.311 0.003 1 286 61 61 VAL C C 177.523 0.117 1 287 61 61 VAL CA C 66.248 0.041 1 288 61 61 VAL CB C 29.985 0.002 1 289 61 61 VAL N N 116.882 0.064 1 290 62 62 GLY H H 7.719 0.007 1 291 62 62 GLY C C 175.148 0.124 1 292 62 62 GLY CA C 47.349 0.016 1 293 62 62 GLY N N 106.433 0.103 1 294 63 63 VAL H H 7.632 0.006 1 295 63 63 VAL C C 177.789 . 1 296 63 63 VAL CA C 65.758 0.035 1 297 63 63 VAL CB C 30.511 0.005 1 298 63 63 VAL N N 121.278 0.089 1 299 64 64 LEU H H 7.841 0.002 1 300 64 64 LEU C C 177.969 . 1 301 64 64 LEU CA C 57.813 0.006 1 302 64 64 LEU CB C 39.914 0.01 1 303 64 64 LEU N N 119.750 0.062 1 304 65 65 LEU H H 8.327 0.002 1 305 65 65 LEU C C 178.431 . 1 306 65 65 LEU CA C 57.755 0.013 1 307 65 65 LEU CB C 39.814 0.026 1 308 65 65 LEU N N 117.186 0.045 1 309 66 66 ASP H H 7.794 0.002 1 310 66 66 ASP C C 179.328 . 1 311 66 66 ASP CA C 57.046 0.079 1 312 66 66 ASP CB C 39.242 0.092 1 313 66 66 ASP N N 120.096 0.038 1 314 67 67 ILE H H 8.150 0.002 1 315 67 67 ILE C C 179.792 0.12 1 316 67 67 ILE CA C 65.059 0.013 1 317 67 67 ILE CB C 37.509 0.014 1 318 67 67 ILE N N 120.680 0.081 1 319 68 68 LEU H H 8.382 0.005 1 320 68 68 LEU C C 180.178 . 1 321 68 68 LEU CA C 56.850 0.012 1 322 68 68 LEU CB C 41.362 0.01 1 323 68 68 LEU N N 119.629 0.098 1 324 69 69 GLN H H 7.805 0.003 1 325 69 69 GLN C C 178.528 0.12 1 326 69 69 GLN CA C 57.859 . 1 327 69 69 GLN CB C 26.220 0.008 1 328 69 69 GLN N N 119.855 0.11 1 329 70 70 ARG H H 7.261 0.005 1 330 70 70 ARG C C 177.633 . 1 331 70 70 ARG CA C 57.748 0.015 1 332 70 70 ARG CB C 29.034 0.003 1 333 70 70 ARG N N 117.714 0.082 1 334 71 71 THR H H 7.670 0.002 1 335 71 71 THR C C 176.073 0.122 1 336 71 71 THR CA C 62.051 0.034 1 337 71 71 THR CB C 69.108 0.021 1 338 71 71 THR N N 108.693 0.029 1 339 72 72 GLY H H 7.814 0.005 1 340 72 72 GLY C C 175.097 . 1 341 72 72 GLY CA C 46.176 . 1 342 72 72 GLY N N 109.672 0.092 1 343 73 73 HIS H H 9.412 0.004 1 344 73 73 HIS HD2 H 7.141 . 1 345 73 73 HIS HE1 H 7.990 . 1 346 73 73 HIS C C 177.239 . 1 347 73 73 HIS CA C 60.596 . 1 348 73 73 HIS CB C 30.439 . 1 349 73 73 HIS CD2 C 119.678 . 1 350 73 73 HIS CE1 C 140.327 . 1 351 73 73 HIS N N 128.184 0.089 1 352 74 74 LYS H H 8.582 0.003 1 353 74 74 LYS C C 178.312 . 1 354 74 74 LYS CA C 59.621 0.012 1 355 74 74 LYS CB C 31.345 0.033 1 356 74 74 LYS N N 116.149 0.041 1 357 75 75 GLY H H 7.164 0.003 1 358 75 75 GLY C C 174.989 . 1 359 75 75 GLY CA C 47.406 0.031 1 360 75 75 GLY N N 105.333 0.077 1 361 76 76 TYR H H 7.579 0.002 1 362 76 76 TYR HD1 H 5.752 . 1 363 76 76 TYR HD2 H 5.752 . 1 364 76 76 TYR HE1 H 6.376 . 1 365 76 76 TYR HE2 H 6.376 . 1 366 76 76 TYR C C 176.109 . 1 367 76 76 TYR CA C 61.253 0.091 1 368 76 76 TYR CB C 36.576 0.018 1 369 76 76 TYR CD1 C 131.706 . 1 370 76 76 TYR CD2 C 131.706 . 1 371 76 76 TYR CE1 C 118.577 . 1 372 76 76 TYR CE2 C 118.577 . 1 373 76 76 TYR N N 123.276 0.047 1 374 77 77 VAL H H 8.074 0.001 1 375 77 77 VAL C C 179.415 . 1 376 77 77 VAL CA C 65.934 0.034 1 377 77 77 VAL CB C 30.765 0.034 1 378 77 77 VAL N N 117.652 0.031 1 379 78 78 ALA H H 8.208 0.002 1 380 78 78 ALA C C 178.787 . 1 381 78 78 ALA CA C 55.099 0.058 1 382 78 78 ALA CB C 19.617 0.012 1 383 78 78 ALA N N 120.636 0.027 1 384 79 79 PHE H H 8.431 0.003 1 385 79 79 PHE C C 178.582 . 1 386 79 79 PHE CA C 60.268 . 1 387 79 79 PHE CB C 38.534 0.007 1 388 79 79 PHE N N 116.645 0.091 1 389 80 80 LEU H H 8.242 0.003 1 390 80 80 LEU HD2 H 0.432 . 1 391 80 80 LEU C C 179.224 . 1 392 80 80 LEU CA C 58.282 0.039 1 393 80 80 LEU CB C 39.998 0.021 1 394 80 80 LEU N N 120.094 0.039 1 395 81 81 GLU H H 8.222 0.002 1 396 81 81 GLU C C 178.909 . 1 397 81 81 GLU CA C 59.662 0.019 1 398 81 81 GLU CB C 29.005 0.015 1 399 81 81 GLU N N 118.296 0.081 1 400 82 82 SER H H 8.043 0.003 1 401 82 82 SER C C 176.658 . 1 402 82 82 SER CA C 61.876 0.031 1 403 82 82 SER N N 115.070 0.096 1 404 83 83 LEU H H 7.517 0.002 1 405 83 83 LEU C C 178.631 . 1 406 83 83 LEU CA C 57.136 . 1 407 83 83 LEU CB C 40.261 . 1 408 83 83 LEU N N 121.603 0.072 1 409 84 84 GLU H H 7.803 0.004 1 410 84 84 GLU C C 176.686 . 1 411 84 84 GLU CA C 60.682 0.001 1 412 84 84 GLU CB C 29.972 0.031 1 413 84 84 GLU N N 117.476 0.021 1 414 85 85 LEU H H 6.803 0.002 1 415 85 85 LEU C C 177.153 . 1 416 85 85 LEU CA C 56.793 0.019 1 417 85 85 LEU CB C 40.781 0.003 1 418 85 85 LEU N N 112.794 0.048 1 419 86 86 TYR H H 7.682 0.001 1 420 86 86 TYR C C 176.204 0.121 1 421 86 86 TYR CA C 60.251 0.029 1 422 86 86 TYR CB C 39.899 0.01 1 423 86 86 TYR N N 112.354 0.045 1 424 87 87 TYR H H 8.688 0.005 1 425 87 87 TYR C C 173.713 . 1 426 87 87 TYR CA C 55.867 . 1 427 87 87 TYR CB C 40.319 . 1 428 87 87 TYR N N 115.547 0.062 1 429 88 88 PRO C C 179.653 0.112 1 430 88 88 PRO CA C 65.340 0.006 1 431 88 88 PRO CB C 30.240 0.018 1 432 89 89 GLN H H 8.560 0.004 1 433 89 89 GLN C C 179.411 0.118 1 434 89 89 GLN CA C 58.450 0.082 1 435 89 89 GLN CB C 26.797 0.042 1 436 89 89 GLN N N 117.209 0.119 1 437 90 90 LEU H H 7.693 0.005 1 438 90 90 LEU HD1 H 0.776 . 1 439 90 90 LEU C C 178.203 0.118 1 440 90 90 LEU CA C 56.594 0.03 1 441 90 90 LEU CB C 40.806 0.016 1 442 90 90 LEU N N 123.413 0.097 1 443 91 91 TYR H H 8.242 0.006 1 444 91 91 TYR C C 178.148 . 1 445 91 91 TYR CA C 62.379 0.05 1 446 91 91 TYR CB C 36.619 0.009 1 447 91 91 TYR N N 118.435 0.076 1 448 92 92 LYS H H 7.810 0.001 1 449 92 92 LYS C C 179.330 . 1 450 92 92 LYS CA C 58.220 0.005 1 451 92 92 LYS CB C 31.495 0.012 1 452 92 92 LYS N N 120.480 0.054 1 453 93 93 LYS H H 7.533 0.002 1 454 93 93 LYS C C 177.680 0.12 1 455 93 93 LYS CA C 58.772 0.031 1 456 93 93 LYS CB C 31.369 0.02 1 457 93 93 LYS N N 120.541 0.047 1 458 94 94 VAL H H 7.639 0.005 1 459 94 94 VAL C C 177.083 . 1 460 94 94 VAL CA C 62.944 0.024 1 461 94 94 VAL CB C 30.508 0.047 1 462 94 94 VAL N N 111.283 0.098 1 463 95 95 THR H H 7.595 0.003 1 464 95 95 THR C C 176.908 . 1 465 95 95 THR CA C 62.046 0.016 1 466 95 95 THR CB C 70.936 0.011 1 467 95 95 THR N N 105.919 0.061 1 468 96 96 GLY H H 8.003 0.002 1 469 96 96 GLY C C 173.722 0.118 1 470 96 96 GLY CA C 45.285 0.097 1 471 96 96 GLY N N 111.620 0.052 1 472 97 97 LYS H H 8.171 0.005 1 473 97 97 LYS C C 174.676 . 1 474 97 97 LYS CA C 54.094 0.058 1 475 97 97 LYS CB C 34.200 0.008 1 476 97 97 LYS N N 120.877 0.084 1 477 98 98 GLU H H 7.979 0.002 1 478 98 98 GLU CA C 53.569 . 1 479 98 98 GLU CB C 28.350 . 1 480 98 98 GLU N N 117.385 0.037 1 481 99 99 PRO C C 175.307 . 1 482 99 99 PRO CA C 63.376 . 1 483 99 99 PRO CB C 31.359 . 1 484 100 100 ALA H H 8.385 0.004 1 485 100 100 ALA C C 178.296 . 1 486 100 100 ALA CA C 52.698 . 1 487 100 100 ALA CB C 18.708 . 1 488 100 100 ALA N N 128.293 0.063 1 489 101 101 ARG H H 9.123 0.01 1 490 101 101 ARG C C 174.164 . 1 491 101 101 ARG CB C 25.304 0.026 1 492 101 101 ARG N N 114.405 0.053 1 493 102 102 VAL H H 7.703 0.002 1 494 102 102 VAL C C 177.369 . 1 495 102 102 VAL CA C 56.261 . 1 496 102 102 VAL CB C 31.436 . 1 497 102 102 VAL N N 115.651 0.039 1 498 103 103 PHE H H 8.372 0.001 1 499 103 103 PHE HE1 H 7.164 . 1 500 103 103 PHE HE2 H 7.164 . 1 501 103 103 PHE HZ H 6.734 . 1 502 103 103 PHE C C 175.031 . 1 503 103 103 PHE CA C 58.292 0.004 1 504 103 103 PHE CB C 34.682 . 1 505 103 103 PHE CZ C 127.218 . 1 506 103 103 PHE N N 117.243 0.009 1 507 104 104 SER H H 7.283 0.006 1 508 104 104 SER CA C 61.520 . 1 509 104 104 SER N N 110.810 0.089 1 510 105 105 MET C C 179.751 . 1 511 106 106 ILE H H 8.009 0.002 1 512 106 106 ILE C C 177.964 0.117 1 513 106 106 ILE CA C 63.556 0.033 1 514 106 106 ILE CB C 35.442 0.09 1 515 106 106 ILE N N 120.561 0.065 1 516 107 107 ILE H H 7.662 0.006 1 517 107 107 ILE C C 179.188 . 1 518 107 107 ILE CA C 64.502 0.037 1 519 107 107 ILE CB C 36.179 0.009 1 520 107 107 ILE N N 124.056 0.107 1 521 108 108 ASP H H 8.169 0.001 1 522 108 108 ASP C C 177.563 . 1 523 108 108 ASP CA C 57.068 0.005 1 524 108 108 ASP N N 121.254 0.053 1 525 109 109 ALA H H 7.928 0.009 1 526 109 109 ALA C C 179.606 . 1 527 109 109 ALA CA C 53.909 0.085 1 528 109 109 ALA CB C 19.591 . 1 529 109 109 ALA N N 117.716 0.066 1 530 110 110 SER H H 8.566 0.004 1 531 110 110 SER C C 174.850 0.124 1 532 110 110 SER CA C 58.287 0.038 1 533 110 110 SER CB C 65.343 0.018 1 534 110 110 SER N N 110.990 0.066 1 535 111 111 GLY H H 8.162 0.004 1 536 111 111 GLY C C 173.792 0.108 1 537 111 111 GLY CA C 44.413 0.006 1 538 111 111 GLY N N 111.085 0.088 1 539 112 112 GLU H H 8.877 0.007 1 540 112 112 GLU C C 179.581 . 1 541 112 112 GLU CA C 59.843 . 1 542 112 112 GLU N N 119.463 0.102 1 543 113 113 SER C C 177.207 . 1 544 113 113 SER CA C 60.561 . 1 545 113 113 SER CB C 61.860 . 1 546 114 114 GLY H H 7.501 0.01 1 547 114 114 GLY C C 176.455 . 1 548 114 114 GLY CA C 46.107 0.077 1 549 114 114 GLY N N 110.857 0.079 1 550 115 115 LEU H H 7.286 0.001 1 551 115 115 LEU C C 178.129 0.117 1 552 115 115 LEU CA C 57.281 . 1 553 115 115 LEU CB C 39.954 0.044 1 554 115 115 LEU N N 122.111 0.044 1 555 116 116 THR H H 8.428 0.005 1 556 116 116 THR C C 176.175 0.104 1 557 116 116 THR CA C 67.298 . 1 558 116 116 THR CB C 67.699 . 1 559 116 116 THR N N 114.777 0.108 1 560 117 117 GLN H H 7.589 0.005 1 561 117 117 GLN C C 179.038 0.102 1 562 117 117 GLN CA C 58.532 0.111 1 563 117 117 GLN CB C 27.290 0.021 1 564 117 117 GLN N N 118.485 0.089 1 565 118 118 LEU H H 7.495 0.003 1 566 118 118 LEU C C 181.028 . 1 567 118 118 LEU CA C 57.870 0.08 1 568 118 118 LEU CB C 40.337 0.014 1 569 118 118 LEU N N 120.541 0.07 1 570 119 119 LEU H H 8.670 0.001 1 571 119 119 LEU C C 178.549 0.115 1 572 119 119 LEU CA C 57.329 . 1 573 119 119 LEU CB C 41.730 0.005 1 574 119 119 LEU N N 119.778 0.01 1 575 120 120 MET H H 8.674 0.004 1 576 120 120 MET C C 178.605 0.12 1 577 120 120 MET CA C 57.835 0.007 1 578 120 120 MET CB C 32.021 0.034 1 579 120 120 MET N N 119.044 0.131 1 580 121 121 THR H H 7.953 0.005 1 581 121 121 THR C C 176.172 . 1 582 121 121 THR CA C 66.608 0.013 1 583 121 121 THR CB C 68.315 0.04 1 584 121 121 THR N N 115.514 0.103 1 585 122 122 GLU H H 7.756 0.003 1 586 122 122 GLU C C 178.668 0.115 1 587 122 122 GLU CA C 58.238 0.032 1 588 122 122 GLU CB C 27.672 0.014 1 589 122 122 GLU N N 122.812 0.073 1 590 123 123 VAL H H 8.685 0.004 1 591 123 123 VAL C C 177.802 0.125 1 592 123 123 VAL CA C 67.191 0.015 1 593 123 123 VAL CB C 30.348 0.07 1 594 123 123 VAL N N 119.978 0.092 1 595 124 124 MET H H 7.926 0.004 1 596 124 124 MET C C 179.845 . 1 597 124 124 MET CA C 59.153 0.017 1 598 124 124 MET CB C 32.245 0.025 1 599 124 124 MET N N 116.742 0.122 1 600 125 125 LYS H H 8.165 0.002 1 601 125 125 LYS C C 180.519 0.12 1 602 125 125 LYS CA C 59.396 0.051 1 603 125 125 LYS CB C 31.830 0.031 1 604 125 125 LYS N N 120.519 0.042 1 605 126 126 LEU H H 8.830 0.005 1 606 126 126 LEU C C 179.198 0.111 1 607 126 126 LEU CA C 57.362 0.043 1 608 126 126 LEU CB C 42.302 0.018 1 609 126 126 LEU N N 121.265 0.118 1 610 127 127 GLN H H 8.995 0.005 1 611 127 127 GLN C C 179.816 0.122 1 612 127 127 GLN CA C 59.249 0.004 1 613 127 127 GLN CB C 26.922 0.055 1 614 127 127 GLN N N 119.285 0.094 1 615 128 128 LYS H H 7.561 0.006 1 616 128 128 LYS C C 177.824 . 1 617 128 128 LYS CA C 58.382 0.108 1 618 128 128 LYS CB C 30.903 0.004 1 619 128 128 LYS N N 120.029 0.109 1 620 129 129 LYS H H 7.867 0.001 1 621 129 129 LYS C C 179.053 0.121 1 622 129 129 LYS CA C 58.448 0.094 1 623 129 129 LYS CB C 30.797 0.063 1 624 129 129 LYS N N 120.143 0.049 1 625 130 130 VAL H H 8.684 0.007 1 626 130 130 VAL C C 179.570 0.115 1 627 130 130 VAL CA C 67.066 0.006 1 628 130 130 VAL CB C 30.833 0.034 1 629 130 130 VAL N N 117.932 0.098 1 630 131 131 GLN H H 7.984 0.004 1 631 131 131 GLN C C 178.906 0.119 1 632 131 131 GLN CA C 59.096 0.049 1 633 131 131 GLN CB C 27.448 0.065 1 634 131 131 GLN N N 122.310 0.088 1 635 132 132 ASP H H 8.731 0.004 1 636 132 132 ASP HB3 H 2.697 . 1 637 132 132 ASP C C 179.736 0.122 1 638 132 132 ASP CA C 57.084 0.07 1 639 132 132 ASP CB C 39.406 0.015 1 640 132 132 ASP N N 121.896 0.108 1 641 133 133 LEU H H 8.733 0.012 1 642 133 133 LEU C C 179.127 0.116 1 643 133 133 LEU CA C 57.597 0.001 1 644 133 133 LEU CB C 42.129 0.04 1 645 133 133 LEU N N 120.103 0.11 1 646 134 134 THR H H 8.407 0.007 1 647 134 134 THR C C 177.160 0.116 1 648 134 134 THR CA C 66.901 0.08 1 649 134 134 THR CB C 68.155 0.017 1 650 134 134 THR N N 114.822 0.138 1 651 135 135 ALA H H 7.852 0.007 1 652 135 135 ALA C C 180.512 0.118 1 653 135 135 ALA CA C 54.529 0.014 1 654 135 135 ALA CB C 17.166 0.074 1 655 135 135 ALA N N 123.993 0.121 1 656 136 136 LEU H H 7.674 0.01 1 657 136 136 LEU C C 179.634 . 1 658 136 136 LEU CA C 56.830 0.0 1 659 136 136 LEU CB C 41.310 0.01 1 660 136 136 LEU N N 118.930 0.115 1 661 137 137 LEU H H 7.943 0.003 1 662 137 137 LEU C C 178.532 0.121 1 663 137 137 LEU CA C 56.417 0.037 1 664 137 137 LEU CB C 41.504 0.057 1 665 137 137 LEU N N 119.513 0.093 1 666 138 138 SER H H 7.906 0.005 1 667 138 138 SER C C 174.917 . 1 668 138 138 SER CA C 59.126 0.056 1 669 138 138 SER CB C 62.980 0.006 1 670 138 138 SER N N 113.781 0.096 1 671 139 139 SER H H 7.897 0.002 1 672 139 139 SER C C 174.638 0.119 1 673 139 139 SER CA C 58.306 0.042 1 674 139 139 SER CB C 63.259 0.097 1 675 139 139 SER N N 116.332 0.073 1 676 140 140 LYS H H 8.009 0.006 1 677 140 140 LYS C C 176.243 . 1 678 140 140 LYS CA C 55.983 0.058 1 679 140 140 LYS CB C 31.931 0.014 1 680 140 140 LYS N N 122.637 0.081 1 681 141 141 ASP H H 8.226 0.002 1 682 141 141 ASP C C 175.127 . 1 683 141 141 ASP CA C 54.066 0.028 1 684 141 141 ASP CB C 40.880 0.076 1 685 141 141 ASP N N 121.600 0.12 1 686 142 142 ASP H H 7.848 0.003 1 687 142 142 ASP C C 181.119 . 1 688 142 142 ASP CA C 55.522 . 1 689 142 142 ASP CB C 41.770 . 1 690 142 142 ASP N N 125.697 0.071 1 stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D IPAP 1H-15N TROSY' stop_ loop_ _Sample_label $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.858 . 1 2 1 1 GLY HA3 H 3.858 . 1 3 1 1 GLY CA C 43.893 . 1 4 2 2 SER HA H 4.498 0.004 1 5 2 2 SER HB2 H 3.824 0.005 1 6 2 2 SER HB3 H 3.824 0.005 1 7 2 2 SER C C 174.184 . 1 8 2 2 SER CA C 58.225 0.101 1 9 2 2 SER CB C 63.965 0.097 1 10 3 3 ASP H H 8.410 0.004 1 11 3 3 ASP HA H 4.586 0.003 1 12 3 3 ASP HB2 H 2.511 0.006 2 13 3 3 ASP HB3 H 2.623 0.004 2 14 3 3 ASP C C 175.800 . 1 15 3 3 ASP CA C 54.688 0.044 1 16 3 3 ASP CB C 41.206 0.039 1 17 3 3 ASP N N 121.929 0.091 1 18 4 4 TYR H H 7.994 0.004 1 19 4 4 TYR HA H 4.661 0.01 1 20 4 4 TYR HB2 H 2.975 0.006 2 21 4 4 TYR HB3 H 3.135 0.004 2 22 4 4 TYR HD1 H 7.152 0.003 1 23 4 4 TYR HD2 H 7.152 0.003 1 24 4 4 TYR HE1 H 6.870 0.005 1 25 4 4 TYR HE2 H 6.870 0.005 1 26 4 4 TYR C C 175.599 . 1 27 4 4 TYR CA C 57.561 0.048 1 28 4 4 TYR CB C 38.847 0.046 1 29 4 4 TYR CD1 C 133.210 0.06 1 30 4 4 TYR CD2 C 133.210 0.06 1 31 4 4 TYR CE1 C 118.273 0.075 1 32 4 4 TYR CE2 C 118.273 0.075 1 33 4 4 TYR N N 119.168 0.089 1 34 5 5 GLU H H 8.214 0.003 1 35 5 5 GLU HA H 4.337 0.004 1 36 5 5 GLU HB2 H 2.050 0.005 2 37 5 5 GLU HB3 H 1.928 0.004 2 38 5 5 GLU HG2 H 2.253 0.008 1 39 5 5 GLU HG3 H 2.253 0.008 1 40 5 5 GLU C C 175.510 . 1 41 5 5 GLU CA C 56.247 0.069 1 42 5 5 GLU CB C 30.862 0.034 1 43 5 5 GLU CG C 36.309 0.007 1 44 5 5 GLU N N 122.201 0.075 1 45 6 6 ASN H H 8.304 0.005 1 46 6 6 ASN HA H 4.738 0.003 1 47 6 6 ASN HB2 H 2.807 0.006 2 48 6 6 ASN HB3 H 2.753 0.003 2 49 6 6 ASN HD21 H 6.922 . 1 50 6 6 ASN HD22 H 7.606 . 1 51 6 6 ASN C C 174.942 . 1 52 6 6 ASN CA C 53.503 0.089 1 53 6 6 ASN CB C 39.698 0.062 1 54 6 6 ASN N N 119.641 0.141 1 55 6 6 ASN ND2 N 112.684 0.017 1 56 7 7 ASP HA H 4.939 0.004 1 57 7 7 ASP HB2 H 2.876 . 2 58 7 7 ASP HB3 H 2.788 0.012 2 59 7 7 ASP C C 175.522 . 1 60 7 7 ASP CA C 53.235 0.09 1 61 8 8 ASP H H 8.406 0.003 1 62 8 8 ASP HA H 4.662 0.003 1 63 8 8 ASP HB2 H 2.801 . 1 64 8 8 ASP HB3 H 2.801 . 1 65 8 8 ASP CA C 56.275 0.082 1 66 8 8 ASP N N 121.459 0.09 1 67 9 9 GLU HA H 4.150 0.004 1 68 9 9 GLU HB2 H 2.119 0.005 1 69 9 9 GLU HB3 H 2.119 0.005 1 70 9 9 GLU HG2 H 2.354 0.003 2 71 9 9 GLU HG3 H 2.354 0.003 2 72 9 9 GLU C C 178.372 . 1 73 9 9 GLU CA C 59.300 0.014 1 74 9 9 GLU CB C 29.309 0.132 1 75 9 9 GLU CG C 36.406 0.008 1 76 10 10 CYS H H 7.409 0.024 1 77 10 10 CYS HA H 3.654 0.006 1 78 10 10 CYS HB2 H 1.780 0.004 2 79 10 10 CYS HB3 H 1.118 . 2 80 10 10 CYS C C 177.441 . 1 81 10 10 CYS CA C 62.548 0.049 1 82 10 10 CYS CB C 26.593 . 1 83 10 10 CYS N N 120.396 0.034 1 84 11 11 TRP H H 7.366 0.011 1 85 11 11 TRP HB2 H 3.321 . 2 86 11 11 TRP HB3 H 3.200 . 2 87 11 11 TRP HD1 H 7.535 . 1 88 11 11 TRP HE1 H 9.626 0.007 1 89 11 11 TRP HE3 H 7.689 0.009 1 90 11 11 TRP HZ2 H 6.899 0.019 1 91 11 11 TRP HZ3 H 6.637 0.008 1 92 11 11 TRP HH2 H 6.512 0.008 1 93 11 11 TRP C C 179.199 0.049 1 94 11 11 TRP CA C 61.200 . 1 95 11 11 TRP CB C 29.161 0.02 1 96 11 11 TRP CD1 C 127.640 . 1 97 11 11 TRP CE3 C 120.149 0.101 1 98 11 11 TRP CZ2 C 114.156 . 1 99 11 11 TRP CZ3 C 121.838 0.144 1 100 11 11 TRP CH2 C 124.345 0.086 1 101 11 11 TRP N N 115.005 0.147 1 102 11 11 TRP NE1 N 127.581 0.016 1 103 12 12 SER H H 8.205 0.018 1 104 12 12 SER HA H 4.282 0.007 1 105 12 12 SER HB2 H 3.997 0.006 2 106 12 12 SER HB3 H 4.126 0.007 2 107 12 12 SER C C 177.297 . 1 108 12 12 SER CA C 61.955 0.061 1 109 12 12 SER CB C 62.712 0.097 1 110 12 12 SER N N 115.222 0.065 1 111 13 13 VAL H H 7.530 0.02 1 112 13 13 VAL HA H 3.922 0.008 1 113 13 13 VAL HB H 2.356 0.004 1 114 13 13 VAL HG1 H 1.094 0.004 1 115 13 13 VAL HG2 H 1.136 0.004 1 116 13 13 VAL C C 178.697 . 1 117 13 13 VAL CA C 65.372 0.065 1 118 13 13 VAL CB C 31.936 0.073 1 119 13 13 VAL CG1 C 21.072 0.038 1 120 13 13 VAL CG2 C 22.105 0.06 1 121 13 13 VAL N N 121.801 0.085 1 122 14 14 LEU H H 7.386 0.013 1 123 14 14 LEU HA H 4.469 0.006 1 124 14 14 LEU HB2 H 2.105 0.007 2 125 14 14 LEU HB3 H 1.777 . 2 126 14 14 LEU HG H 1.931 0.006 1 127 14 14 LEU HD1 H 0.895 0.007 1 128 14 14 LEU HD2 H 0.913 0.009 1 129 14 14 LEU CA C 56.476 0.039 1 130 14 14 LEU CB C 41.981 0.008 1 131 14 14 LEU CG C 27.377 0.028 1 132 14 14 LEU CD1 C 26.165 0.049 1 133 14 14 LEU CD2 C 23.910 . 1 134 14 14 LEU N N 117.748 0.084 1 135 15 15 GLU H H 8.076 0.005 1 136 15 15 GLU HA H 4.171 0.011 1 137 15 15 GLU HB2 H 2.245 0.003 2 138 15 15 GLU HB3 H 2.149 0.007 2 139 15 15 GLU HG2 H 2.411 0.005 2 140 15 15 GLU HG3 H 2.410 0.005 2 141 15 15 GLU C C 179.786 . 1 142 15 15 GLU CA C 59.624 0.139 1 143 15 15 GLU CB C 29.564 0.087 1 144 15 15 GLU CG C 35.926 0.056 1 145 15 15 GLU N N 120.587 0.012 1 146 16 16 GLY H H 8.075 0.005 1 147 16 16 GLY HA2 H 3.756 0.01 2 148 16 16 GLY HA3 H 3.995 0.007 2 149 16 16 GLY C C 174.750 . 1 150 16 16 GLY CA C 46.185 0.052 1 151 16 16 GLY N N 105.595 0.075 1 152 17 17 PHE H H 7.926 0.006 1 153 17 17 PHE HA H 5.017 0.008 1 154 17 17 PHE HB2 H 3.449 0.003 2 155 17 17 PHE HB3 H 2.845 0.004 2 156 17 17 PHE HD1 H 7.328 0.014 1 157 17 17 PHE HD2 H 7.328 0.014 1 158 17 17 PHE HE1 H 7.369 0.016 1 159 17 17 PHE HE2 H 7.369 0.016 1 160 17 17 PHE HZ H 7.373 . 1 161 17 17 PHE CA C 57.628 0.008 1 162 17 17 PHE CB C 40.285 0.082 1 163 17 17 PHE CD1 C 131.580 0.2 1 164 17 17 PHE CD2 C 131.580 0.2 1 165 17 17 PHE CE1 C 131.788 0.139 1 166 17 17 PHE CE2 C 131.788 0.139 1 167 17 17 PHE CZ C 130.554 . 1 168 17 17 PHE N N 116.821 0.017 1 169 18 18 ARG H H 7.758 . 1 170 18 18 ARG HA H 3.786 0.001 1 171 18 18 ARG HB2 H 2.194 0.009 2 172 18 18 ARG HB3 H 1.943 0.02 2 173 18 18 ARG HG2 H 1.538 0.01 2 174 18 18 ARG HG3 H 1.596 0.002 2 175 18 18 ARG HD2 H 3.322 0.01 2 176 18 18 ARG HD3 H 3.241 0.008 2 177 18 18 ARG C C 178.326 . 1 178 18 18 ARG CA C 62.164 0.058 1 179 18 18 ARG CB C 30.888 0.065 1 180 18 18 ARG CG C 29.061 0.045 1 181 18 18 ARG CD C 43.028 0.126 1 182 18 18 ARG N N 123.181 . 1 183 19 19 VAL H H 8.649 . 1 184 19 19 VAL HA H 3.697 0.009 1 185 19 19 VAL HB H 2.117 0.005 1 186 19 19 VAL HG1 H 0.917 0.005 1 187 19 19 VAL HG2 H 1.031 0.005 1 188 19 19 VAL C C 178.501 . 1 189 19 19 VAL CA C 66.828 0.055 1 190 19 19 VAL CB C 31.162 0.088 1 191 19 19 VAL CG1 C 20.833 0.059 1 192 19 19 VAL CG2 C 22.464 0.06 1 193 19 19 VAL N N 118.550 . 1 194 20 20 THR H H 7.647 0.001 1 195 20 20 THR HA H 4.021 0.007 1 196 20 20 THR HB H 4.277 0.005 1 197 20 20 THR HG2 H 1.222 0.007 1 198 20 20 THR C C 176.160 . 1 199 20 20 THR CA C 66.999 0.068 1 200 20 20 THR CB C 68.946 0.103 1 201 20 20 THR CG2 C 22.010 0.042 1 202 20 20 THR N N 119.156 0.121 1 203 21 21 LEU H H 8.591 0.006 1 204 21 21 LEU HA H 3.927 0.017 1 205 21 21 LEU HB2 H 1.361 0.004 2 206 21 21 LEU HB3 H 2.107 0.003 2 207 21 21 LEU HG H 2.064 0.008 1 208 21 21 LEU HD1 H 1.043 0.006 1 209 21 21 LEU HD2 H 0.928 0.008 1 210 21 21 LEU C C 179.045 . 1 211 21 21 LEU CA C 58.925 0.015 1 212 21 21 LEU CB C 42.417 0.098 1 213 21 21 LEU CG C 26.756 0.033 1 214 21 21 LEU CD1 C 26.561 0.086 1 215 21 21 LEU CD2 C 23.094 . 1 216 21 21 LEU N N 118.572 0.083 1 217 22 22 THR H H 8.506 0.003 1 218 22 22 THR HA H 3.930 . 1 219 22 22 THR HB H 4.560 0.008 1 220 22 22 THR HG2 H 1.283 0.004 1 221 22 22 THR C C 175.397 . 1 222 22 22 THR CA C 64.457 0.053 1 223 22 22 THR CB C 69.156 0.027 1 224 22 22 THR CG2 C 21.583 0.071 1 225 22 22 THR N N 106.123 0.101 1 226 23 23 SER H H 7.559 0.015 1 227 23 23 SER HA H 4.446 0.006 1 228 23 23 SER HB2 H 4.103 0.003 2 229 23 23 SER HB3 H 3.994 0.004 2 230 23 23 SER C C 175.229 . 1 231 23 23 SER CA C 60.931 0.05 1 232 23 23 SER CB C 63.920 0.132 1 233 23 23 SER N N 114.627 0.106 1 234 24 24 VAL H H 7.371 0.008 1 235 24 24 VAL HA H 4.035 0.007 1 236 24 24 VAL HB H 1.773 0.008 1 237 24 24 VAL HG1 H 0.808 0.004 1 238 24 24 VAL HG2 H 1.003 0.004 1 239 24 24 VAL C C 175.992 . 1 240 24 24 VAL CA C 64.161 0.085 1 241 24 24 VAL CB C 34.555 0.052 1 242 24 24 VAL CG1 C 22.027 0.024 1 243 24 24 VAL CG2 C 22.241 0.054 1 244 24 24 VAL N N 117.998 0.094 1 245 25 25 ILE H H 7.140 0.006 1 246 25 25 ILE HA H 3.042 0.006 1 247 25 25 ILE HB H 1.687 0.009 1 248 25 25 ILE HG12 H 1.366 0.011 2 249 25 25 ILE HG13 H 0.253 0.024 2 250 25 25 ILE HG2 H 0.529 0.005 1 251 25 25 ILE HD1 H 0.761 0.008 1 252 25 25 ILE C C 174.487 . 1 253 25 25 ILE CA C 63.309 . 1 254 25 25 ILE CB C 38.767 0.032 1 255 25 25 ILE CG1 C 28.505 0.096 1 256 25 25 ILE CG2 C 16.285 0.043 1 257 25 25 ILE CD1 C 14.961 0.072 1 258 25 25 ILE N N 116.665 0.116 1 259 26 26 ASP H H 7.915 0.006 1 260 26 26 ASP HA H 4.961 0.011 1 261 26 26 ASP HB2 H 2.720 . 2 262 26 26 ASP HB3 H 3.002 0.004 2 263 26 26 ASP C C 176.597 . 1 264 26 26 ASP CA C 49.434 0.093 1 265 26 26 ASP CB C 41.258 . 1 266 26 26 ASP N N 124.473 0.188 1 267 27 27 PRO HA H 3.958 0.002 1 268 27 27 PRO HB2 H 1.982 0.001 1 269 27 27 PRO HB3 H 1.982 0.001 1 270 27 27 PRO HG2 H 2.174 0.007 2 271 27 27 PRO HG3 H 1.804 . 2 272 27 27 PRO HD2 H 3.986 0.002 2 273 27 27 PRO HD3 H 4.174 0.006 2 274 27 27 PRO C C 177.420 . 1 275 27 27 PRO CA C 64.985 0.111 1 276 27 27 PRO CB C 31.554 . 1 277 27 27 PRO CG C 27.267 0.111 1 278 27 27 PRO CD C 50.295 0.17 1 279 28 28 SER H H 8.040 0.003 1 280 28 28 SER HA H 4.212 0.007 1 281 28 28 SER HB2 H 3.936 0.006 1 282 28 28 SER HB3 H 3.936 0.006 1 283 28 28 SER C C 175.200 . 1 284 28 28 SER CA C 61.070 0.093 1 285 28 28 SER CB C 63.033 0.097 1 286 28 28 SER N N 112.683 0.126 1 287 29 29 ARG H H 7.652 0.003 1 288 29 29 ARG HA H 3.977 0.011 1 289 29 29 ARG HB2 H 1.883 0.007 2 290 29 29 ARG HB3 H 1.833 0.003 2 291 29 29 ARG HG2 H 1.391 0.005 2 292 29 29 ARG HG3 H 1.523 0.006 2 293 29 29 ARG HD2 H 3.131 0.001 2 294 29 29 ARG HD3 H 3.248 0.002 2 295 29 29 ARG C C 177.331 . 1 296 29 29 ARG CA C 56.946 0.036 1 297 29 29 ARG CB C 31.241 0.082 1 298 29 29 ARG CG C 26.855 0.086 1 299 29 29 ARG CD C 42.700 0.045 1 300 29 29 ARG N N 119.828 0.094 1 301 30 30 ILE H H 6.665 0.015 1 302 30 30 ILE HA H 4.417 0.008 1 303 30 30 ILE HB H 2.209 0.008 1 304 30 30 ILE HG12 H 1.461 . 2 305 30 30 ILE HG13 H 1.157 0.006 2 306 30 30 ILE HG2 H 0.909 0.009 1 307 30 30 ILE HD1 H 1.029 0.007 1 308 30 30 ILE C C 176.379 . 1 309 30 30 ILE CA C 61.390 0.092 1 310 30 30 ILE CB C 39.447 0.046 1 311 30 30 ILE CG1 C 26.476 . 1 312 30 30 ILE CG2 C 18.052 0.071 1 313 30 30 ILE CD1 C 14.704 0.029 1 314 30 30 ILE N N 104.222 0.058 1 315 31 31 THR H H 7.958 0.007 1 316 31 31 THR HA H 3.986 0.005 1 317 31 31 THR HB H 4.233 0.005 1 318 31 31 THR HG2 H 1.191 0.003 1 319 31 31 THR CA C 68.829 0.054 1 320 31 31 THR CB C 67.625 0.055 1 321 31 31 THR CG2 C 22.712 0.05 1 322 31 31 THR N N 116.517 0.1 1 323 32 32 PRO HA H 4.204 0.005 1 324 32 32 PRO HB2 H 2.329 . 2 325 32 32 PRO HB3 H 1.942 . 2 326 32 32 PRO HG2 H 2.062 . 2 327 32 32 PRO HG3 H 1.863 . 2 328 32 32 PRO HD2 H 3.206 0.01 2 329 32 32 PRO HD3 H 4.055 . 2 330 32 32 PRO C C 179.424 . 1 331 32 32 PRO CA C 66.810 0.063 1 332 32 32 PRO CB C 31.199 . 1 333 32 32 PRO CG C 28.945 0.041 1 334 32 32 PRO CD C 50.506 0.083 1 335 33 33 TYR H H 7.615 0.006 1 336 33 33 TYR HA H 3.734 0.009 1 337 33 33 TYR HD1 H 6.835 0.013 1 338 33 33 TYR HD2 H 6.835 0.013 1 339 33 33 TYR HE1 H 6.513 0.009 1 340 33 33 TYR HE2 H 6.513 0.009 1 341 33 33 TYR C C 178.152 . 1 342 33 33 TYR CA C 61.885 0.019 1 343 33 33 TYR CB C 39.660 . 1 344 33 33 TYR CD1 C 132.840 0.041 1 345 33 33 TYR CD2 C 132.840 0.041 1 346 33 33 TYR CE1 C 118.567 0.119 1 347 33 33 TYR CE2 C 118.567 0.119 1 348 33 33 TYR N N 118.756 0.1 1 349 34 34 LEU H H 7.821 0.004 1 350 34 34 LEU HG H 2.287 0.009 1 351 34 34 LEU HD1 H 1.107 0.005 1 352 34 34 LEU HD2 H 1.060 0.012 1 353 34 34 LEU C C 179.756 . 1 354 34 34 LEU CA C 57.905 0.028 1 355 34 34 LEU CB C 42.020 . 1 356 34 34 LEU CG C 26.659 0.07 1 357 34 34 LEU CD1 C 27.806 0.045 1 358 34 34 LEU CD2 C 22.150 0.092 1 359 34 34 LEU N N 117.907 0.012 1 360 35 35 ARG H H 9.005 0.005 1 361 35 35 ARG HA H 4.399 0.01 1 362 35 35 ARG HB2 H 1.891 0.011 2 363 35 35 ARG HB3 H 1.953 . 2 364 35 35 ARG HG2 H 1.510 0.005 2 365 35 35 ARG HG3 H 1.739 0.006 2 366 35 35 ARG HD2 H 3.138 0.013 2 367 35 35 ARG HD3 H 3.068 0.01 2 368 35 35 ARG C C 181.282 . 1 369 35 35 ARG CA C 59.033 0.027 1 370 35 35 ARG CB C 29.754 0.024 1 371 35 35 ARG CG C 27.086 0.148 1 372 35 35 ARG CD C 42.988 0.08 1 373 35 35 ARG N N 120.456 0.127 1 374 36 36 GLN H H 8.035 0.005 1 375 36 36 GLN HA H 4.135 0.004 1 376 36 36 GLN HB2 H 2.044 0.007 2 377 36 36 GLN HB3 H 2.002 0.004 2 378 36 36 GLN HG2 H 2.399 0.003 2 379 36 36 GLN HG3 H 2.347 0.004 2 380 36 36 GLN HE21 H 6.507 . 1 381 36 36 GLN HE22 H 7.166 . 1 382 36 36 GLN C C 177.822 . 1 383 36 36 GLN CA C 58.731 0.02 1 384 36 36 GLN CB C 28.419 0.065 1 385 36 36 GLN CG C 34.306 0.063 1 386 36 36 GLN N N 121.468 0.102 1 387 36 36 GLN NE2 N 109.052 0.011 1 388 37 37 CYS H H 7.466 0.006 1 389 37 37 CYS HA H 4.118 0.009 1 390 37 37 CYS HB2 H 2.788 0.029 2 391 37 37 CYS HB3 H 3.070 0.008 2 392 37 37 CYS C C 173.030 . 1 393 37 37 CYS CA C 61.855 0.043 1 394 37 37 CYS CB C 28.471 0.03 1 395 37 37 CYS N N 113.750 0.067 1 396 38 38 LYS H H 7.904 0.016 1 397 38 38 LYS HA H 4.048 0.013 1 398 38 38 LYS HB2 H 2.162 . 2 399 38 38 LYS HB3 H 2.070 0.004 2 400 38 38 LYS HG2 H 1.344 0.004 2 401 38 38 LYS HG3 H 1.365 0.014 2 402 38 38 LYS HD2 H 1.679 . 2 403 38 38 LYS HD3 H 1.782 0.005 2 404 38 38 LYS HE2 H 3.044 0.005 1 405 38 38 LYS HE3 H 3.044 0.005 1 406 38 38 LYS C C 176.192 . 1 407 38 38 LYS CA C 57.587 0.069 1 408 38 38 LYS CB C 28.681 0.115 1 409 38 38 LYS CG C 25.306 0.034 1 410 38 38 LYS CD C 29.131 0.151 1 411 38 38 LYS CE C 42.445 0.088 1 412 38 38 LYS N N 111.400 0.072 1 413 39 39 VAL H H 7.232 0.005 1 414 39 39 VAL HA H 4.504 0.006 1 415 39 39 VAL HB H 2.445 0.011 1 416 39 39 VAL HG1 H 0.849 0.007 1 417 39 39 VAL HG2 H 0.870 0.006 1 418 39 39 VAL C C 173.617 0.02 1 419 39 39 VAL CA C 61.406 0.062 1 420 39 39 VAL CB C 32.016 0.068 1 421 39 39 VAL CG1 C 21.337 0.066 1 422 39 39 VAL CG2 C 20.825 0.02 1 423 39 39 VAL N N 107.880 0.045 1 424 40 40 LEU H H 6.676 0.005 1 425 40 40 LEU HA H 4.705 0.014 1 426 40 40 LEU HB2 H 1.451 0.018 2 427 40 40 LEU HB3 H 1.075 0.007 2 428 40 40 LEU HG H 1.516 0.006 1 429 40 40 LEU HD1 H 0.854 0.006 1 430 40 40 LEU HD2 H 0.812 0.004 1 431 40 40 LEU C C 175.299 0.022 1 432 40 40 LEU CA C 52.909 0.135 1 433 40 40 LEU CB C 46.314 0.098 1 434 40 40 LEU CG C 27.214 0.045 1 435 40 40 LEU CD1 C 26.134 0.026 1 436 40 40 LEU CD2 C 26.034 0.001 1 437 40 40 LEU N N 118.554 0.061 1 438 41 41 ASN H H 9.697 0.005 1 439 41 41 ASN HA H 5.009 0.006 1 440 41 41 ASN HB2 H 2.964 0.002 2 441 41 41 ASN HB3 H 2.861 0.007 2 442 41 41 ASN HD21 H 6.906 . 1 443 41 41 ASN HD22 H 7.705 . 1 444 41 41 ASN C C 174.683 . 1 445 41 41 ASN CA C 51.529 0.058 1 446 41 41 ASN CB C 38.244 0.081 1 447 41 41 ASN N N 126.016 0.142 1 448 41 41 ASN ND2 N 113.739 0.042 1 449 42 42 PRO HA H 4.227 0.008 1 450 42 42 PRO HB2 H 2.380 0.004 2 451 42 42 PRO HB3 H 1.984 0.001 2 452 42 42 PRO HG2 H 2.197 . 2 453 42 42 PRO HG3 H 1.997 0.003 2 454 42 42 PRO HD2 H 3.828 0.006 1 455 42 42 PRO HD3 H 3.828 0.006 1 456 42 42 PRO C C 178.646 . 1 457 42 42 PRO CA C 66.306 0.035 1 458 42 42 PRO CB C 32.042 0.071 1 459 42 42 PRO CG C 28.271 0.078 1 460 42 42 PRO CD C 50.853 0.028 1 461 43 43 ASP H H 8.350 0.004 1 462 43 43 ASP HA H 4.399 0.004 1 463 43 43 ASP HB2 H 2.672 0.0 2 464 43 43 ASP HB3 H 2.637 0.016 2 465 43 43 ASP C C 178.676 . 1 466 43 43 ASP CA C 56.768 . 1 467 43 43 ASP CB C 39.821 0.014 1 468 43 43 ASP N N 116.479 0.082 1 469 44 44 ASP H H 7.741 0.018 1 470 44 44 ASP HA H 4.409 0.0 1 471 44 44 ASP HB2 H 2.922 0.007 2 472 44 44 ASP HB3 H 2.578 0.021 2 473 44 44 ASP C C 177.973 . 1 474 44 44 ASP CA C 56.941 0.052 1 475 44 44 ASP CB C 42.035 . 1 476 44 44 ASP N N 120.811 0.182 1 477 45 45 GLU H H 7.822 0.004 1 478 45 45 GLU HA H 3.668 0.007 1 479 45 45 GLU HB2 H 2.239 0.012 2 480 45 45 GLU HB3 H 1.795 0.01 2 481 45 45 GLU HG2 H 2.029 0.011 2 482 45 45 GLU HG3 H 2.110 0.008 2 483 45 45 GLU C C 177.779 . 1 484 45 45 GLU CA C 60.169 0.089 1 485 45 45 GLU CB C 30.219 0.069 1 486 45 45 GLU CG C 37.051 0.046 1 487 45 45 GLU N N 118.382 0.151 1 488 46 46 GLU H H 7.839 0.001 1 489 46 46 GLU HA H 3.992 0.007 1 490 46 46 GLU HB2 H 2.095 0.007 1 491 46 46 GLU HB3 H 2.095 0.007 1 492 46 46 GLU HG2 H 2.245 0.006 2 493 46 46 GLU HG3 H 2.345 0.003 2 494 46 46 GLU C C 178.816 . 1 495 46 46 GLU CA C 59.101 0.044 1 496 46 46 GLU CB C 29.642 0.031 1 497 46 46 GLU CG C 36.256 0.007 1 498 46 46 GLU N N 117.353 0.068 1 499 47 47 GLN H H 7.652 0.004 1 500 47 47 GLN HA H 4.108 0.007 1 501 47 47 GLN HB2 H 2.212 0.009 1 502 47 47 GLN HB3 H 2.212 0.009 1 503 47 47 GLN HG2 H 2.530 0.004 2 504 47 47 GLN HG3 H 2.388 0.004 2 505 47 47 GLN HE21 H 6.710 . 1 506 47 47 GLN HE22 H 7.366 . 1 507 47 47 GLN C C 177.193 . 1 508 47 47 GLN CA C 58.336 0.085 1 509 47 47 GLN CB C 28.849 0.074 1 510 47 47 GLN CG C 34.109 0.037 1 511 47 47 GLN N N 117.444 0.098 1 512 47 47 GLN NE2 N 111.030 0.036 1 513 48 48 VAL H H 7.525 0.004 1 514 48 48 VAL HA H 3.873 0.009 1 515 48 48 VAL HB H 2.174 0.005 1 516 48 48 VAL HG1 H 0.877 0.003 1 517 48 48 VAL HG2 H 0.952 0.003 1 518 48 48 VAL C C 176.306 . 1 519 48 48 VAL CA C 64.460 0.111 1 520 48 48 VAL CB C 32.464 0.037 1 521 48 48 VAL CG1 C 22.111 0.047 1 522 48 48 VAL CG2 C 22.257 0.076 1 523 48 48 VAL N N 114.918 0.044 1 524 49 49 LEU H H 7.798 0.005 1 525 49 49 LEU HA H 4.277 0.015 1 526 49 49 LEU HB2 H 1.513 0.005 2 527 49 49 LEU HB3 H 1.799 . 2 528 49 49 LEU HG H 1.792 0.006 1 529 49 49 LEU HD1 H 0.877 0.004 1 530 49 49 LEU HD2 H 0.762 0.006 1 531 49 49 LEU C C 178.941 . 1 532 49 49 LEU CA C 55.952 0.078 1 533 49 49 LEU CB C 42.452 0.107 1 534 49 49 LEU CG C 26.821 . 1 535 49 49 LEU CD1 C 25.568 0.076 1 536 49 49 LEU CD2 C 22.713 0.052 1 537 49 49 LEU N N 115.321 0.084 1 538 50 50 SER H H 7.967 0.007 1 539 50 50 SER HA H 4.547 . 1 540 50 50 SER HB2 H 3.874 0.002 2 541 50 50 SER HB3 H 3.943 . 2 542 50 50 SER C C 173.970 . 1 543 50 50 SER CA C 58.286 0.075 1 544 50 50 SER CB C 64.496 0.055 1 545 50 50 SER N N 113.474 0.118 1 546 51 51 ASP H H 7.933 0.004 1 547 51 51 ASP HA H 4.869 0.005 1 548 51 51 ASP HB2 H 2.812 0.005 2 549 51 51 ASP HB3 H 2.699 0.003 2 550 51 51 ASP CA C 52.138 0.022 1 551 51 51 ASP CB C 42.892 0.003 1 552 51 51 ASP N N 123.354 0.06 1 553 52 52 PRO HA H 4.367 0.007 1 554 52 52 PRO HB2 H 2.294 0.007 2 555 52 52 PRO HB3 H 1.985 0.011 2 556 52 52 PRO HG2 H 1.925 0.004 2 557 52 52 PRO HG3 H 2.031 0.005 2 558 52 52 PRO HD2 H 3.886 0.001 1 559 52 52 PRO HD3 H 3.886 0.001 1 560 52 52 PRO C C 177.183 . 1 561 52 52 PRO CA C 64.062 0.045 1 562 52 52 PRO CB C 32.190 0.058 1 563 52 52 PRO CG C 27.011 0.064 1 564 52 52 PRO CD C 51.182 0.107 1 565 53 53 ASN H H 8.701 0.003 1 566 53 53 ASN HA H 4.663 . 1 567 53 53 ASN HB2 H 2.826 0.003 2 568 53 53 ASN HB3 H 2.805 0.007 2 569 53 53 ASN HD21 H 6.959 0.001 1 570 53 53 ASN HD22 H 7.949 . 1 571 53 53 ASN C C 175.650 . 1 572 53 53 ASN CA C 53.885 0.004 1 573 53 53 ASN CB C 39.233 0.004 1 574 53 53 ASN N N 116.496 0.095 1 575 53 53 ASN ND2 N 114.213 0.006 1 576 54 54 LEU H H 8.057 0.006 1 577 54 54 LEU HA H 4.367 0.026 1 578 54 54 LEU HB2 H 1.622 0.017 2 579 54 54 LEU HB3 H 1.724 0.005 2 580 54 54 LEU HG H 1.582 0.003 1 581 54 54 LEU HD1 H 1.004 0.003 1 582 54 54 LEU HD2 H 0.908 0.003 1 583 54 54 LEU C C 176.465 . 1 584 54 54 LEU CA C 55.596 0.046 1 585 54 54 LEU CB C 41.992 0.032 1 586 54 54 LEU CG C 27.147 0.053 1 587 54 54 LEU CD1 C 25.217 0.147 1 588 54 54 LEU CD2 C 24.326 0.015 1 589 54 54 LEU N N 123.836 0.083 1 590 55 55 VAL H H 7.954 0.035 1 591 55 55 VAL HA H 3.952 0.006 1 592 55 55 VAL HB H 2.218 0.008 1 593 55 55 VAL HG1 H 0.941 0.009 1 594 55 55 VAL HG2 H 0.967 0.005 1 595 55 55 VAL C C 177.294 . 1 596 55 55 VAL CA C 64.461 0.062 1 597 55 55 VAL CB C 32.516 0.095 1 598 55 55 VAL CG1 C 21.368 0.015 1 599 55 55 VAL CG2 C 21.057 0.026 1 600 55 55 VAL N N 117.818 0.071 1 601 56 56 ILE H H 7.675 0.02 1 602 56 56 ILE HA H 4.223 0.008 1 603 56 56 ILE HB H 1.995 0.011 1 604 56 56 ILE HG12 H 1.311 0.011 2 605 56 56 ILE HG13 H 1.567 0.011 2 606 56 56 ILE HG2 H 1.065 0.01 1 607 56 56 ILE HD1 H 0.928 0.007 1 608 56 56 ILE CA C 61.226 0.055 1 609 56 56 ILE CB C 38.533 0.065 1 610 56 56 ILE CG1 C 27.698 0.061 1 611 56 56 ILE CG2 C 18.233 0.079 1 612 56 56 ILE CD1 C 12.562 0.066 1 613 56 56 ILE N N 119.906 0.083 1 614 57 57 ARG HA H 3.891 0.004 1 615 57 57 ARG HD2 H 3.291 0.013 1 616 57 57 ARG HD3 H 3.291 0.013 1 617 57 57 ARG C C 178.190 . 1 618 57 57 ARG CA C 60.956 0.04 1 619 57 57 ARG CB C 30.650 . 1 620 57 57 ARG CD C 43.629 0.181 1 621 58 58 LYS H H 8.453 0.025 1 622 58 58 LYS HA H 4.403 0.005 1 623 58 58 LYS HB2 H 1.820 0.009 2 624 58 58 LYS HB3 H 1.795 0.018 2 625 58 58 LYS HG2 H 1.486 0.021 2 626 58 58 LYS HG3 H 1.458 0.006 2 627 58 58 LYS HD2 H 1.691 0.004 2 628 58 58 LYS HD3 H 1.679 0.009 2 629 58 58 LYS HE2 H 2.969 0.008 2 630 58 58 LYS HE3 H 2.970 0.009 2 631 58 58 LYS C C 179.840 . 1 632 58 58 LYS CA C 59.463 0.079 1 633 58 58 LYS CB C 33.051 0.029 1 634 58 58 LYS CG C 24.666 . 1 635 58 58 LYS CD C 29.604 . 1 636 58 58 LYS CE C 41.963 0.046 1 637 58 58 LYS N N 116.115 0.062 1 638 59 59 ARG H H 7.310 0.004 1 639 59 59 ARG HA H 4.235 0.012 1 640 59 59 ARG HB2 H 2.019 0.009 2 641 59 59 ARG HB3 H 2.019 0.009 2 642 59 59 ARG HG2 H 1.805 0.005 2 643 59 59 ARG HG3 H 1.673 0.005 2 644 59 59 ARG HD2 H 3.296 0.006 1 645 59 59 ARG HD3 H 3.296 0.006 1 646 59 59 ARG C C 179.322 . 1 647 59 59 ARG CA C 58.201 0.079 1 648 59 59 ARG CB C 29.948 0.087 1 649 59 59 ARG CG C 27.684 0.039 1 650 59 59 ARG CD C 43.236 0.065 1 651 59 59 ARG N N 118.299 0.12 1 652 60 60 LYS H H 8.009 0.018 1 653 60 60 LYS C C 178.790 . 1 654 60 60 LYS CA C 59.615 0.015 1 655 60 60 LYS CB C 32.970 . 1 656 60 60 LYS N N 120.221 0.075 1 657 61 61 VAL H H 8.307 0.005 1 658 61 61 VAL HA H 3.460 0.002 1 659 61 61 VAL HB H 2.062 0.008 1 660 61 61 VAL HG1 H 0.849 0.006 1 661 61 61 VAL HG2 H 1.147 0.007 1 662 61 61 VAL C C 177.503 . 1 663 61 61 VAL CA C 66.794 0.009 1 664 61 61 VAL CB C 31.065 0.074 1 665 61 61 VAL CG1 C 21.921 0.041 1 666 61 61 VAL CG2 C 24.400 0.097 1 667 61 61 VAL N N 117.091 0.124 1 668 62 62 GLY H H 7.718 0.005 1 669 62 62 GLY HA2 H 3.523 . 2 670 62 62 GLY HA3 H 3.970 . 2 671 62 62 GLY C C 175.153 . 1 672 62 62 GLY CA C 47.878 0.021 1 673 62 62 GLY N N 106.606 0.151 1 674 63 63 VAL H H 7.632 0.005 1 675 63 63 VAL HA H 3.758 0.006 1 676 63 63 VAL HB H 2.137 0.005 1 677 63 63 VAL HG1 H 0.910 0.004 1 678 63 63 VAL HG2 H 1.095 0.005 1 679 63 63 VAL C C 177.789 . 1 680 63 63 VAL CA C 66.333 0.086 1 681 63 63 VAL CB C 31.700 . 1 682 63 63 VAL CG1 C 21.378 0.025 1 683 63 63 VAL CG2 C 23.267 0.03 1 684 63 63 VAL N N 121.374 0.062 1 685 64 64 LEU H H 7.857 0.01 1 686 64 64 LEU HA H 3.884 0.005 1 687 64 64 LEU HB2 H 2.277 0.012 2 688 64 64 LEU HB3 H 1.501 . 2 689 64 64 LEU HG H 1.507 0.004 1 690 64 64 LEU HD1 H 0.897 0.009 1 691 64 64 LEU HD2 H 0.863 . 1 692 64 64 LEU C C 177.969 . 1 693 64 64 LEU CA C 58.220 0.086 1 694 64 64 LEU CB C 41.144 0.012 1 695 64 64 LEU CG C 27.342 . 1 696 64 64 LEU CD1 C 24.021 . 1 697 64 64 LEU CD2 C 26.335 . 1 698 64 64 LEU N N 119.965 0.131 1 699 65 65 LEU H H 8.342 0.02 1 700 65 65 LEU HA H 3.556 0.012 1 701 65 65 LEU HB2 H 1.143 0.006 2 702 65 65 LEU HB3 H 1.877 0.003 2 703 65 65 LEU HG H 1.710 0.005 1 704 65 65 LEU HD1 H 0.710 0.005 1 705 65 65 LEU HD2 H 0.362 0.011 1 706 65 65 LEU C C 178.431 . 1 707 65 65 LEU CA C 58.280 0.006 1 708 65 65 LEU CB C 40.954 0.087 1 709 65 65 LEU CG C 26.762 0.042 1 710 65 65 LEU CD1 C 25.946 0.084 1 711 65 65 LEU CD2 C 22.388 0.038 1 712 65 65 LEU N N 117.430 0.117 1 713 66 66 ASP H H 7.796 0.006 1 714 66 66 ASP HA H 4.040 0.006 1 715 66 66 ASP HB2 H 2.504 0.005 2 716 66 66 ASP HB3 H 2.897 0.022 2 717 66 66 ASP C C 179.328 . 1 718 66 66 ASP CA C 57.573 0.09 1 719 66 66 ASP CB C 39.926 0.121 1 720 66 66 ASP N N 120.320 0.118 1 721 67 67 ILE H H 8.152 0.003 1 722 67 67 ILE HA H 3.451 0.004 1 723 67 67 ILE HB H 1.838 0.006 1 724 67 67 ILE HG12 H 0.905 0.008 2 725 67 67 ILE HG13 H 1.797 . 2 726 67 67 ILE HG2 H 0.761 0.003 1 727 67 67 ILE HD1 H 0.711 0.017 1 728 67 67 ILE C C 179.809 . 1 729 67 67 ILE CA C 65.575 0.075 1 730 67 67 ILE CB C 38.571 0.047 1 731 67 67 ILE CG1 C 29.058 0.048 1 732 67 67 ILE CG2 C 17.386 0.024 1 733 67 67 ILE CD1 C 14.751 0.07 1 734 67 67 ILE N N 120.898 0.06 1 735 68 68 LEU H H 8.384 0.005 1 736 68 68 LEU HA H 3.994 0.011 1 737 68 68 LEU HB2 H 1.331 . 2 738 68 68 LEU HB3 H 1.719 . 2 739 68 68 LEU HG H 1.878 0.009 1 740 68 68 LEU HD1 H 0.812 0.006 1 741 68 68 LEU HD2 H 0.951 0.007 1 742 68 68 LEU C C 180.178 . 1 743 68 68 LEU CA C 57.300 0.082 1 744 68 68 LEU CB C 42.299 . 1 745 68 68 LEU CG C 26.785 . 1 746 68 68 LEU CD1 C 27.064 0.048 1 747 68 68 LEU CD2 C 23.671 0.138 1 748 68 68 LEU N N 119.874 0.107 1 749 69 69 GLN H H 7.813 0.006 1 750 69 69 GLN HA H 2.696 0.017 1 751 69 69 GLN HB2 H 1.282 0.011 2 752 69 69 GLN HB3 H 1.473 0.003 2 753 69 69 GLN HG2 H 1.380 0.005 2 754 69 69 GLN HG3 H 1.048 0.005 2 755 69 69 GLN HE21 H 6.881 . 1 756 69 69 GLN HE22 H 6.329 . 1 757 69 69 GLN C C 178.527 . 1 758 69 69 GLN CA C 58.450 0.032 1 759 69 69 GLN CB C 27.209 0.114 1 760 69 69 GLN CG C 33.434 0.034 1 761 69 69 GLN N N 120.085 0.076 1 762 69 69 GLN NE2 N 108.627 0.018 1 763 70 70 ARG H H 7.262 0.008 1 764 70 70 ARG HA H 4.157 0.01 1 765 70 70 ARG HB2 H 1.893 0.006 2 766 70 70 ARG HB3 H 1.940 . 2 767 70 70 ARG HG2 H 1.780 0.016 2 768 70 70 ARG HG3 H 1.537 . 2 769 70 70 ARG HD2 H 3.074 0.012 2 770 70 70 ARG HD3 H 3.078 0.016 2 771 70 70 ARG C C 177.633 . 1 772 70 70 ARG CA C 58.207 0.115 1 773 70 70 ARG CB C 30.140 . 1 774 70 70 ARG CG C 27.447 . 1 775 70 70 ARG CD C 43.848 0.054 1 776 70 70 ARG N N 117.801 0.064 1 777 71 71 THR H H 7.676 0.007 1 778 71 71 THR HA H 4.521 0.003 1 779 71 71 THR HB H 4.441 0.004 1 780 71 71 THR HG2 H 1.374 0.006 1 781 71 71 THR C C 176.077 . 1 782 71 71 THR CA C 62.359 0.096 1 783 71 71 THR CB C 69.792 0.115 1 784 71 71 THR CG2 C 22.415 0.059 1 785 71 71 THR N N 108.768 0.019 1 786 72 72 GLY H H 7.819 0.007 1 787 72 72 GLY HA2 H 4.346 0.005 2 788 72 72 GLY HA3 H 4.004 0.004 2 789 72 72 GLY C C 175.097 . 1 790 72 72 GLY CA C 46.656 0.1 1 791 72 72 GLY N N 109.875 0.13 1 792 73 73 HIS H H 9.427 . 1 793 73 73 HIS HB2 H 3.204 . 2 794 73 73 HIS HB3 H 3.376 . 2 795 73 73 HIS HD2 H 7.138 0.005 1 796 73 73 HIS HE1 H 7.993 0.001 1 797 73 73 HIS C C 177.239 . 1 798 73 73 HIS CA C 60.971 . 1 799 73 73 HIS CB C 31.208 0.014 1 800 73 73 HIS CD2 C 119.774 0.096 1 801 73 73 HIS CE1 C 140.190 0.082 1 802 73 73 HIS N N 128.467 . 1 803 74 74 LYS H H 8.582 0.013 1 804 74 74 LYS HA H 4.093 0.007 1 805 74 74 LYS HB2 H 1.831 0.008 2 806 74 74 LYS HB3 H 2.004 0.004 2 807 74 74 LYS HG2 H 1.576 0.003 2 808 74 74 LYS HG3 H 1.683 0.003 2 809 74 74 LYS HD2 H 1.817 0.006 2 810 74 74 LYS HD3 H 1.817 0.006 2 811 74 74 LYS HE2 H 3.097 0.004 1 812 74 74 LYS HE3 H 3.097 0.004 1 813 74 74 LYS C C 178.312 . 1 814 74 74 LYS CA C 60.156 0.132 1 815 74 74 LYS CB C 32.406 0.013 1 816 74 74 LYS CG C 25.573 0.106 1 817 74 74 LYS CD C 29.577 0.064 1 818 74 74 LYS CE C 42.110 0.017 1 819 74 74 LYS N N 116.377 0.118 1 820 75 75 GLY H H 7.171 0.018 1 821 75 75 GLY HA2 H 3.776 0.009 2 822 75 75 GLY HA3 H 4.307 0.006 2 823 75 75 GLY C C 174.989 . 1 824 75 75 GLY CA C 47.878 0.055 1 825 75 75 GLY N N 105.581 0.079 1 826 76 76 TYR H H 7.572 0.006 1 827 76 76 TYR HA H 3.449 0.001 1 828 76 76 TYR HB2 H 1.806 . 2 829 76 76 TYR HB3 H 2.738 0.002 2 830 76 76 TYR HD1 H 5.752 0.008 1 831 76 76 TYR HD2 H 5.752 0.008 1 832 76 76 TYR HE1 H 6.380 0.008 1 833 76 76 TYR HE2 H 6.380 0.008 1 834 76 76 TYR C C 176.109 . 1 835 76 76 TYR CA C 61.839 0.073 1 836 76 76 TYR CB C 37.575 0.099 1 837 76 76 TYR CD1 C 131.821 0.082 1 838 76 76 TYR CD2 C 131.821 0.082 1 839 76 76 TYR CE1 C 118.576 0.084 1 840 76 76 TYR CE2 C 118.576 0.084 1 841 76 76 TYR N N 123.484 0.083 1 842 77 77 VAL H H 8.081 0.017 1 843 77 77 VAL HA H 3.232 0.005 1 844 77 77 VAL HB H 2.090 0.016 1 845 77 77 VAL HG1 H 0.983 0.004 1 846 77 77 VAL HG2 H 0.928 0.012 1 847 77 77 VAL C C 179.415 . 1 848 77 77 VAL CA C 66.520 0.085 1 849 77 77 VAL CB C 31.711 0.041 1 850 77 77 VAL CG1 C 22.435 0.08 1 851 77 77 VAL CG2 C 23.060 0.014 1 852 77 77 VAL N N 117.860 0.109 1 853 78 78 ALA H H 8.207 . 1 854 78 78 ALA HA H 4.102 0.004 1 855 78 78 ALA HB H 1.657 0.006 1 856 78 78 ALA C C 178.787 . 1 857 78 78 ALA CA C 55.592 0.08 1 858 78 78 ALA CB C 20.621 0.034 1 859 78 78 ALA N N 120.970 . 1 860 79 79 PHE H H 8.440 0.007 1 861 79 79 PHE HA H 4.283 0.016 1 862 79 79 PHE HB2 H 3.471 0.008 2 863 79 79 PHE HB3 H 3.087 . 2 864 79 79 PHE HD1 H 6.933 0.013 1 865 79 79 PHE HD2 H 6.933 0.013 1 866 79 79 PHE HE1 H 6.970 0.015 1 867 79 79 PHE HE2 H 6.970 0.015 1 868 79 79 PHE HZ H 6.927 0.004 1 869 79 79 PHE C C 178.582 . 1 870 79 79 PHE CA C 60.859 0.044 1 871 79 79 PHE CB C 40.113 . 1 872 79 79 PHE CD1 C 131.633 0.095 1 873 79 79 PHE CD2 C 131.633 0.095 1 874 79 79 PHE CE1 C 129.946 0.132 1 875 79 79 PHE CE2 C 129.946 0.132 1 876 79 79 PHE CZ C 128.905 0.161 1 877 79 79 PHE N N 116.889 0.049 1 878 80 80 LEU H H 8.231 0.01 1 879 80 80 LEU HA H 3.537 0.006 1 880 80 80 LEU HB2 H 1.725 0.012 2 881 80 80 LEU HB3 H 1.488 . 2 882 80 80 LEU HG H 1.207 0.005 1 883 80 80 LEU HD1 H 0.359 0.009 1 884 80 80 LEU HD2 H 0.433 0.01 1 885 80 80 LEU C C 179.224 . 1 886 80 80 LEU CA C 58.861 0.113 1 887 80 80 LEU CB C 41.190 0.065 1 888 80 80 LEU CG C 27.427 0.039 1 889 80 80 LEU CD1 C 25.192 0.041 1 890 80 80 LEU CD2 C 22.438 0.04 1 891 80 80 LEU N N 120.322 0.117 1 892 81 81 GLU H H 8.231 0.007 1 893 81 81 GLU HA H 3.934 . 1 894 81 81 GLU HB2 H 2.393 0.014 2 895 81 81 GLU HB3 H 2.279 . 2 896 81 81 GLU HG2 H 2.576 0.003 2 897 81 81 GLU HG3 H 2.374 . 2 898 81 81 GLU C C 178.909 . 1 899 81 81 GLU CA C 60.258 0.027 1 900 81 81 GLU CB C 29.949 0.011 1 901 81 81 GLU CG C 37.597 0.04 1 902 81 81 GLU N N 118.561 0.08 1 903 82 82 SER H H 8.040 0.004 1 904 82 82 SER C C 176.658 . 1 905 82 82 SER CA C 62.326 0.129 1 906 82 82 SER N N 115.357 0.098 1 907 83 83 LEU H H 7.517 0.009 1 908 83 83 LEU HA H 4.045 0.007 1 909 83 83 LEU HB2 H 2.126 0.003 1 910 83 83 LEU HG H 1.444 0.024 1 911 83 83 LEU HD1 H 0.373 0.015 1 912 83 83 LEU HD2 H 0.503 0.012 1 913 83 83 LEU C C 178.631 . 1 914 83 83 LEU CA C 57.679 0.056 1 915 83 83 LEU CB C 41.426 0.1 1 916 83 83 LEU CG C 25.647 0.029 1 917 83 83 LEU CD1 C 24.827 0.062 1 918 83 83 LEU CD2 C 21.964 0.035 1 919 83 83 LEU N N 121.852 0.069 1 920 84 84 GLU H H 7.813 0.014 1 921 84 84 GLU HA H 3.010 0.004 1 922 84 84 GLU HG2 H 0.400 0.014 2 923 84 84 GLU HG3 H 2.027 . 2 924 84 84 GLU C C 176.686 . 1 925 84 84 GLU CA C 61.317 0.066 1 926 84 84 GLU CB C 30.930 . 1 927 84 84 GLU CG C 37.867 0.045 1 928 84 84 GLU N N 117.497 . 1 929 85 85 LEU H H 6.812 0.008 1 930 85 85 LEU HA H 3.962 0.017 1 931 85 85 LEU HB2 H 1.148 0.005 2 932 85 85 LEU HB3 H 0.993 0.003 2 933 85 85 LEU HG H 0.240 0.001 1 934 85 85 LEU HD1 H 0.430 0.005 1 935 85 85 LEU HD2 H 0.189 0.014 1 936 85 85 LEU C C 177.153 . 1 937 85 85 LEU CA C 57.376 0.09 1 938 85 85 LEU CB C 41.729 0.059 1 939 85 85 LEU CG C 27.285 0.025 1 940 85 85 LEU CD1 C 23.117 0.01 1 941 85 85 LEU CD2 C 25.248 0.012 1 942 85 85 LEU N N 112.990 0.097 1 943 86 86 TYR H H 7.685 0.004 1 944 86 86 TYR HA H 3.934 0.001 1 945 86 86 TYR HD1 H 7.184 0.017 1 946 86 86 TYR HD2 H 7.184 0.017 1 947 86 86 TYR HE1 H 6.797 0.026 1 948 86 86 TYR HE2 H 6.797 0.026 1 949 86 86 TYR C C 176.210 . 1 950 86 86 TYR CA C 60.664 0.114 1 951 86 86 TYR CB C 40.600 . 1 952 86 86 TYR CD1 C 133.254 0.116 1 953 86 86 TYR CD2 C 133.254 0.116 1 954 86 86 TYR CE1 C 117.881 0.104 1 955 86 86 TYR CE2 C 117.881 0.104 1 956 86 86 TYR N N 112.509 0.12 1 957 87 87 TYR H H 8.694 0.005 1 958 87 87 TYR HA H 5.085 0.016 1 959 87 87 TYR HB2 H 3.358 0.018 2 960 87 87 TYR HB3 H 2.580 . 2 961 87 87 TYR HD1 H 7.011 0.021 1 962 87 87 TYR HD2 H 7.011 0.021 1 963 87 87 TYR HE1 H 6.709 0.015 1 964 87 87 TYR HE2 H 6.709 0.015 1 965 87 87 TYR C C 173.713 . 1 966 87 87 TYR CA C 56.278 0.023 1 967 87 87 TYR CB C 41.554 0.11 1 968 87 87 TYR CD1 C 133.504 0.079 1 969 87 87 TYR CD2 C 133.504 0.079 1 970 87 87 TYR CE1 C 117.978 0.135 1 971 87 87 TYR CE2 C 117.978 0.135 1 972 87 87 TYR N N 115.794 0.115 1 973 88 88 PRO HA H 4.100 0.002 1 974 88 88 PRO HG2 H 1.994 . 1 975 88 88 PRO HG3 H 1.994 . 1 976 88 88 PRO HD2 H 3.041 0.018 2 977 88 88 PRO HD3 H 3.496 . 2 978 88 88 PRO C C 179.646 . 1 979 88 88 PRO CA C 65.773 0.007 1 980 88 88 PRO CD C 50.042 0.08 1 981 89 89 GLN H H 8.571 0.008 1 982 89 89 GLN HA H 4.190 0.005 1 983 89 89 GLN HB2 H 2.129 0.004 2 984 89 89 GLN HB3 H 2.223 0.0 2 985 89 89 GLN HG2 H 2.533 0.006 2 986 89 89 GLN HG3 H 2.408 0.012 2 987 89 89 GLN HE21 H 6.972 . 1 988 89 89 GLN HE22 H 7.586 . 1 989 89 89 GLN C C 179.393 . 1 990 89 89 GLN CA C 59.016 0.06 1 991 89 89 GLN CB C 27.741 0.088 1 992 89 89 GLN CG C 34.340 0.068 1 993 89 89 GLN N N 117.420 0.097 1 994 89 89 GLN NE2 N 111.836 0.046 1 995 90 90 LEU H H 7.696 0.005 1 996 90 90 LEU HA H 4.122 0.005 1 997 90 90 LEU HB2 H 1.885 0.009 2 998 90 90 LEU HB3 H 1.815 0.009 2 999 90 90 LEU HG H 1.537 0.002 1 1000 90 90 LEU HD1 H 0.745 0.005 1 1001 90 90 LEU HD2 H 0.703 0.006 1 1002 90 90 LEU C C 178.186 . 1 1003 90 90 LEU CA C 57.003 0.076 1 1004 90 90 LEU CB C 41.955 0.04 1 1005 90 90 LEU CG C 26.652 0.061 1 1006 90 90 LEU CD1 C 24.187 0.075 1 1007 90 90 LEU CD2 C 25.132 0.131 1 1008 90 90 LEU N N 123.487 0.072 1 1009 91 91 TYR H H 8.226 0.007 1 1010 91 91 TYR HA H 3.510 0.016 1 1011 91 91 TYR HB2 H 3.181 0.011 2 1012 91 91 TYR HB3 H 2.537 0.012 2 1013 91 91 TYR HD1 H 6.865 0.016 1 1014 91 91 TYR HD2 H 6.865 0.016 1 1015 91 91 TYR HE1 H 6.448 0.006 1 1016 91 91 TYR HE2 H 6.448 0.006 1 1017 91 91 TYR C C 178.148 . 1 1018 91 91 TYR CA C 62.931 0.061 1 1019 91 91 TYR CB C 37.607 0.055 1 1020 91 91 TYR CD1 C 132.550 0.056 1 1021 91 91 TYR CD2 C 132.550 0.056 1 1022 91 91 TYR CE1 C 120.122 0.012 1 1023 91 91 TYR CE2 C 120.122 0.012 1 1024 91 91 TYR N N 118.603 0.086 1 1025 92 92 LYS H H 7.815 0.004 1 1026 92 92 LYS HA H 4.307 0.006 1 1027 92 92 LYS HB2 H 1.798 0.018 2 1028 92 92 LYS HB3 H 1.872 0.007 2 1029 92 92 LYS HG2 H 1.427 0.005 2 1030 92 92 LYS HG3 H 1.241 0.005 2 1031 92 92 LYS HD2 H 1.548 0.004 1 1032 92 92 LYS HD3 H 1.548 0.004 1 1033 92 92 LYS HE2 H 2.844 0.007 2 1034 92 92 LYS HE3 H 2.831 0.008 2 1035 92 92 LYS C C 179.330 . 1 1036 92 92 LYS CA C 58.682 0.014 1 1037 92 92 LYS CB C 32.736 0.014 1 1038 92 92 LYS CG C 24.941 0.044 1 1039 92 92 LYS CD C 29.315 0.044 1 1040 92 92 LYS CE C 42.050 0.012 1 1041 92 92 LYS N N 120.613 0.072 1 1042 93 93 LYS H H 7.544 0.02 1 1043 93 93 LYS HA H 3.916 0.006 1 1044 93 93 LYS HB2 H 1.922 0.01 2 1045 93 93 LYS HB3 H 1.877 0.01 2 1046 93 93 LYS HG2 H 1.352 0.004 2 1047 93 93 LYS HG3 H 1.498 0.004 2 1048 93 93 LYS HD2 H 1.685 0.002 2 1049 93 93 LYS HD3 H 1.683 0.002 2 1050 93 93 LYS HE2 H 3.004 0.008 2 1051 93 93 LYS HE3 H 3.046 0.004 2 1052 93 93 LYS C C 177.661 . 1 1053 93 93 LYS CA C 59.287 0.083 1 1054 93 93 LYS CB C 32.411 0.097 1 1055 93 93 LYS CG C 24.896 0.108 1 1056 93 93 LYS CD C 29.151 0.007 1 1057 93 93 LYS CE C 41.798 0.024 1 1058 93 93 LYS N N 120.708 0.118 1 1059 94 94 VAL H H 7.632 0.004 1 1060 94 94 VAL HA H 3.042 0.003 1 1061 94 94 VAL HB H 1.570 0.011 1 1062 94 94 VAL HG1 H 0.349 0.007 1 1063 94 94 VAL HG2 H 0.463 0.011 1 1064 94 94 VAL C C 177.083 . 1 1065 94 94 VAL CA C 63.383 0.09 1 1066 94 94 VAL CB C 31.542 0.079 1 1067 94 94 VAL CG1 C 20.719 0.043 1 1068 94 94 VAL CG2 C 20.182 0.042 1 1069 94 94 VAL N N 111.438 0.127 1 1070 95 95 THR H H 7.599 0.001 1 1071 95 95 THR HA H 4.195 0.011 1 1072 95 95 THR HB H 3.827 0.01 1 1073 95 95 THR HG2 H 0.542 0.003 1 1074 95 95 THR C C 176.908 . 1 1075 95 95 THR CA C 62.367 0.089 1 1076 95 95 THR CB C 71.417 0.038 1 1077 95 95 THR CG2 C 20.722 0.166 1 1078 95 95 THR N N 106.028 0.063 1 1079 96 96 GLY H H 8.008 0.006 1 1080 96 96 GLY HA2 H 4.143 0.006 2 1081 96 96 GLY HA3 H 3.774 0.002 2 1082 96 96 GLY C C 173.722 . 1 1083 96 96 GLY CA C 45.794 0.027 1 1084 96 96 GLY N N 111.804 0.104 1 1085 97 97 LYS H H 8.159 0.007 1 1086 97 97 LYS HA H 4.576 0.003 1 1087 97 97 LYS HB2 H 1.674 0.013 2 1088 97 97 LYS HB3 H 1.818 0.008 2 1089 97 97 LYS HG2 H 1.293 0.005 1 1090 97 97 LYS HG3 H 1.293 0.005 1 1091 97 97 LYS HD2 H 1.604 0.002 2 1092 97 97 LYS HD3 H 1.650 0.006 2 1093 97 97 LYS HE2 H 2.990 0.018 2 1094 97 97 LYS HE3 H 2.963 0.002 2 1095 97 97 LYS C C 174.676 . 1 1096 97 97 LYS CA C 54.622 0.092 1 1097 97 97 LYS CB C 35.279 0.122 1 1098 97 97 LYS CG C 24.625 0.024 1 1099 97 97 LYS CD C 29.230 0.059 1 1100 97 97 LYS CE C 42.084 . 1 1101 97 97 LYS N N 120.957 0.031 1 1102 98 98 GLU H H 7.983 0.006 1 1103 98 98 GLU HA H 4.478 0.01 1 1104 98 98 GLU HB2 H 1.776 0.003 2 1105 98 98 GLU HB3 H 1.935 0.006 2 1106 98 98 GLU HG2 H 2.371 0.005 2 1107 98 98 GLU HG3 H 2.295 0.006 2 1108 98 98 GLU CA C 53.996 0.043 1 1109 98 98 GLU CB C 29.285 0.009 1 1110 98 98 GLU CG C 35.476 0.084 1 1111 98 98 GLU N N 117.649 0.16 1 1112 99 99 PRO C C 175.307 . 1 1113 99 99 PRO CA C 64.070 . 1 1114 99 99 PRO CB C 32.470 . 1 1115 100 100 ALA H H 8.403 0.01 1 1116 100 100 ALA HA H 4.123 0.003 1 1117 100 100 ALA HB H 1.362 0.002 1 1118 100 100 ALA C C 178.296 . 1 1119 100 100 ALA CA C 53.199 0.039 1 1120 100 100 ALA CB C 19.607 0.02 1 1121 100 100 ALA N N 128.500 0.202 1 1122 101 101 ARG H H 9.139 0.006 1 1123 101 101 ARG C C 174.164 . 1 1124 101 101 ARG CA C 56.836 . 1 1125 101 101 ARG CB C 26.410 . 1 1126 101 101 ARG N N 114.417 0.065 1 1127 102 102 VAL H H 7.710 0.006 1 1128 102 102 VAL HA H 3.888 0.016 1 1129 102 102 VAL HB H 1.871 0.006 1 1130 102 102 VAL HG1 H 0.806 0.005 1 1131 102 102 VAL HG2 H 0.748 0.006 1 1132 102 102 VAL C C 177.403 0.033 1 1133 102 102 VAL CA C 62.769 0.083 1 1134 102 102 VAL CB C 32.511 0.049 1 1135 102 102 VAL CG1 C 21.721 0.032 1 1136 102 102 VAL CG2 C 21.082 0.05 1 1137 102 102 VAL N N 115.704 0.037 1 1138 103 103 PHE H H 8.378 0.005 1 1139 103 103 PHE HA H 3.942 0.022 1 1140 103 103 PHE HB2 H 3.397 0.001 2 1141 103 103 PHE HB3 H 2.986 0.007 2 1142 103 103 PHE HD1 H 7.130 0.006 1 1143 103 103 PHE HD2 H 7.130 0.006 1 1144 103 103 PHE HE1 H 7.148 0.008 1 1145 103 103 PHE HE2 H 7.148 0.008 1 1146 103 103 PHE HZ H 6.735 0.002 1 1147 103 103 PHE C C 175.031 . 1 1148 103 103 PHE CA C 58.826 . 1 1149 103 103 PHE CB C 35.837 0.115 1 1150 103 103 PHE CD1 C 132.203 0.029 1 1151 103 103 PHE CD2 C 132.203 0.029 1 1152 103 103 PHE CE1 C 130.734 0.102 1 1153 103 103 PHE CE2 C 130.734 0.102 1 1154 103 103 PHE CZ C 127.241 0.023 1 1155 103 103 PHE N N 117.180 0.072 1 1156 104 104 SER H H 7.282 0.004 1 1157 104 104 SER CA C 62.070 . 1 1158 104 104 SER N N 111.018 0.175 1 1159 105 105 MET HA H 4.375 0.006 1 1160 105 105 MET HB2 H 2.285 0.003 2 1161 105 105 MET HB3 H 2.192 . 2 1162 105 105 MET HG2 H 2.582 0.006 2 1163 105 105 MET HG3 H 2.570 0.005 2 1164 105 105 MET HE H 2.222 0.003 1 1165 105 105 MET C C 179.751 . 1 1166 105 105 MET CA C 59.258 0.022 1 1167 105 105 MET CB C 30.960 0.031 1 1168 105 105 MET CG C 33.749 . 1 1169 105 105 MET CE C 18.253 0.017 1 1170 106 106 ILE H H 7.987 0.017 1 1171 106 106 ILE HA H 4.013 . 1 1172 106 106 ILE HB H 1.507 0.011 1 1173 106 106 ILE HG12 H 0.900 0.01 2 1174 106 106 ILE HG13 H 0.983 0.006 2 1175 106 106 ILE HG2 H 1.027 0.005 1 1176 106 106 ILE HD1 H 0.112 0.016 1 1177 106 106 ILE C C 177.940 . 1 1178 106 106 ILE CA C 64.123 0.018 1 1179 106 106 ILE CB C 36.459 0.098 1 1180 106 106 ILE CG1 C 29.862 0.049 1 1181 106 106 ILE CG2 C 19.656 0.103 1 1182 106 106 ILE CD1 C 13.740 0.049 1 1183 106 106 ILE N N 120.742 0.14 1 1184 107 107 ILE H H 7.650 0.008 1 1185 107 107 ILE HA H 3.480 0.015 1 1186 107 107 ILE HB H 1.831 0.009 1 1187 107 107 ILE HG12 H 1.837 0.008 1 1188 107 107 ILE HG13 H 1.837 0.008 1 1189 107 107 ILE HG2 H 0.878 0.006 1 1190 107 107 ILE HD1 H 0.883 0.006 1 1191 107 107 ILE C C 179.188 . 1 1192 107 107 ILE CA C 65.018 0.027 1 1193 107 107 ILE CB C 37.383 0.075 1 1194 107 107 ILE CG1 C 30.175 0.053 1 1195 107 107 ILE CG2 C 17.347 0.047 1 1196 107 107 ILE CD1 C 12.835 0.04 1 1197 107 107 ILE N N 124.233 0.092 1 1198 108 108 ASP H H 8.179 0.007 1 1199 108 108 ASP HA H 4.397 0.005 1 1200 108 108 ASP HB2 H 2.852 0.009 2 1201 108 108 ASP HB3 H 2.727 0.003 2 1202 108 108 ASP C C 177.563 . 1 1203 108 108 ASP CA C 57.491 0.075 1 1204 108 108 ASP CB C 41.650 0.025 1 1205 108 108 ASP N N 121.491 0.104 1 1206 109 109 ALA H H 7.923 0.01 1 1207 109 109 ALA HA H 4.323 0.009 1 1208 109 109 ALA HB H 1.560 0.004 1 1209 109 109 ALA C C 179.606 . 1 1210 109 109 ALA CA C 54.476 0.101 1 1211 109 109 ALA CB C 20.700 0.043 1 1212 109 109 ALA N N 118.061 0.075 1 1213 110 110 SER H H 8.568 0.004 1 1214 110 110 SER HA H 4.801 0.007 1 1215 110 110 SER HB2 H 3.903 0.009 2 1216 110 110 SER HB3 H 3.907 0.009 2 1217 110 110 SER C C 174.837 . 1 1218 110 110 SER CA C 58.737 0.052 1 1219 110 110 SER CB C 66.054 0.065 1 1220 110 110 SER N N 111.149 0.051 1 1221 111 111 GLY H H 8.169 0.007 1 1222 111 111 GLY HA2 H 4.466 . 2 1223 111 111 GLY HA3 H 4.128 . 2 1224 111 111 GLY C C 173.778 . 1 1225 111 111 GLY CA C 44.898 0.014 1 1226 111 111 GLY N N 111.218 0.044 1 1227 112 112 GLU H H 8.881 0.008 1 1228 112 112 GLU HA H 3.912 0.014 1 1229 112 112 GLU HB2 H 1.960 0.005 2 1230 112 112 GLU HB3 H 2.003 . 2 1231 112 112 GLU HG2 H 2.307 0.003 2 1232 112 112 GLU HG3 H 2.237 0.006 2 1233 112 112 GLU C C 179.570 . 1 1234 112 112 GLU CA C 60.413 0.037 1 1235 112 112 GLU CB C 29.618 0.057 1 1236 112 112 GLU CG C 37.558 0.1 1 1237 112 112 GLU N N 119.625 0.14 1 1238 113 113 SER HA H 4.320 0.002 1 1239 113 113 SER HB2 H 3.921 0.002 2 1240 113 113 SER HB3 H 3.957 0.003 2 1241 113 113 SER C C 177.207 . 1 1242 113 113 SER CA C 60.879 0.005 1 1243 113 113 SER CB C 62.437 0.001 1 1244 114 114 GLY H H 7.506 0.01 1 1245 114 114 GLY HA2 H 3.809 . 2 1246 114 114 GLY HA3 H 3.993 0.006 2 1247 114 114 GLY C C 176.455 . 1 1248 114 114 GLY CA C 46.626 0.059 1 1249 114 114 GLY N N 111.016 0.131 1 1250 115 115 LEU H H 7.278 0.009 1 1251 115 115 LEU HG H 1.323 0.016 1 1252 115 115 LEU HD1 H 0.546 0.007 1 1253 115 115 LEU HD2 H 0.816 0.013 1 1254 115 115 LEU C C 178.124 . 1 1255 115 115 LEU CA C 57.740 . 1 1256 115 115 LEU CB C 41.210 . 1 1257 115 115 LEU CG C 27.157 0.127 1 1258 115 115 LEU CD1 C 21.498 0.039 1 1259 115 115 LEU CD2 C 26.466 0.056 1 1260 115 115 LEU N N 122.270 0.07 1 1261 116 116 THR H H 8.432 0.008 1 1262 116 116 THR HA H 3.521 0.012 1 1263 116 116 THR HB H 4.150 0.005 1 1264 116 116 THR HG2 H 1.111 0.013 1 1265 116 116 THR C C 176.186 . 1 1266 116 116 THR CA C 67.622 0.09 1 1267 116 116 THR CB C 68.147 0.107 1 1268 116 116 THR CG2 C 22.458 0.084 1 1269 116 116 THR N N 114.890 0.077 1 1270 117 117 GLN H H 7.591 0.004 1 1271 117 117 GLN HA H 4.025 0.006 1 1272 117 117 GLN HB2 H 2.166 0.005 2 1273 117 117 GLN HB3 H 2.166 0.005 2 1274 117 117 GLN HG2 H 2.450 0.017 2 1275 117 117 GLN HG3 H 2.473 . 2 1276 117 117 GLN HE21 H 6.794 . 1 1277 117 117 GLN HE22 H 7.403 . 1 1278 117 117 GLN C C 179.023 0.002 1 1279 117 117 GLN CA C 59.146 0.061 1 1280 117 117 GLN CB C 28.243 0.065 1 1281 117 117 GLN CG C 33.852 0.044 1 1282 117 117 GLN N N 118.628 0.102 1 1283 117 117 GLN NE2 N 111.630 0.023 1 1284 118 118 LEU H H 7.491 0.0 1 1285 118 118 LEU HA H 4.159 0.007 1 1286 118 118 LEU HB2 H 1.884 0.016 2 1287 118 118 LEU HB3 H 1.574 0.013 2 1288 118 118 LEU HG H 1.759 0.002 1 1289 118 118 LEU HD1 H 0.790 0.005 1 1290 118 118 LEU HD2 H 0.860 0.007 1 1291 118 118 LEU C C 181.028 . 1 1292 118 118 LEU CA C 58.268 0.081 1 1293 118 118 LEU CB C 41.479 0.081 1 1294 118 118 LEU CG C 27.080 0.014 1 1295 118 118 LEU CD1 C 26.537 0.082 1 1296 118 118 LEU CD2 C 24.005 0.048 1 1297 118 118 LEU N N 120.655 0.128 1 1298 119 119 LEU H H 8.671 . 1 1299 119 119 LEU HA H 3.931 0.011 1 1300 119 119 LEU HB2 H 1.111 0.008 2 1301 119 119 LEU HB3 H 1.955 0.005 2 1302 119 119 LEU HG H 1.696 0.011 1 1303 119 119 LEU HD1 H 0.740 0.01 1 1304 119 119 LEU HD2 H 0.630 0.013 1 1305 119 119 LEU C C 178.548 . 1 1306 119 119 LEU CA C 58.033 0.079 1 1307 119 119 LEU CB C 42.864 0.099 1 1308 119 119 LEU CG C 26.662 0.037 1 1309 119 119 LEU CD1 C 27.664 0.058 1 1310 119 119 LEU CD2 C 23.623 0.05 1 1311 119 119 LEU N N 120.129 . 1 1312 120 120 MET H H 8.676 0.006 1 1313 120 120 MET HA H 4.153 0.008 1 1314 120 120 MET HB2 H 2.272 0.012 2 1315 120 120 MET HB3 H 2.121 0.007 2 1316 120 120 MET HG2 H 2.826 0.009 2 1317 120 120 MET HG3 H 2.457 0.007 2 1318 120 120 MET HE H 2.125 0.013 1 1319 120 120 MET C C 178.595 . 1 1320 120 120 MET CA C 58.375 0.01 1 1321 120 120 MET CB C 33.208 0.147 1 1322 120 120 MET CG C 32.233 0.133 1 1323 120 120 MET CE C 18.538 0.039 1 1324 120 120 MET N N 119.169 0.167 1 1325 121 121 THR H H 7.952 0.004 1 1326 121 121 THR HA H 3.975 0.003 1 1327 121 121 THR HB H 4.370 0.004 1 1328 121 121 THR HG2 H 1.351 0.003 1 1329 121 121 THR CA C 67.058 0.074 1 1330 121 121 THR CB C 68.907 0.041 1 1331 121 121 THR CG2 C 21.846 0.059 1 1332 121 121 THR N N 115.689 0.079 1 1333 122 122 GLU H H 7.755 0.001 1 1334 122 122 GLU C C 178.665 . 1 1335 122 122 GLU CA C 58.761 . 1 1336 122 122 GLU CB C 28.640 . 1 1337 122 122 GLU N N 123.129 0.005 1 1338 123 123 VAL H H 8.685 0.002 1 1339 123 123 VAL HA H 3.446 0.008 1 1340 123 123 VAL HB H 2.275 0.007 1 1341 123 123 VAL HG1 H 0.749 0.015 1 1342 123 123 VAL HG2 H 0.987 0.002 1 1343 123 123 VAL C C 177.827 . 1 1344 123 123 VAL CA C 67.797 0.111 1 1345 123 123 VAL CB C 31.349 0.025 1 1346 123 123 VAL CG1 C 21.165 0.042 1 1347 123 123 VAL CG2 C 25.577 . 1 1348 123 123 VAL N N 120.132 0.062 1 1349 124 124 MET H H 7.924 0.002 1 1350 124 124 MET HA H 4.127 . 1 1351 124 124 MET HB2 H 2.251 . 2 1352 124 124 MET HB3 H 2.198 0.008 2 1353 124 124 MET HG2 H 2.484 0.009 2 1354 124 124 MET HG3 H 2.751 0.006 2 1355 124 124 MET HE H 2.067 . 1 1356 124 124 MET C C 179.845 . 1 1357 124 124 MET CA C 59.516 0.148 1 1358 124 124 MET CB C 33.172 0.02 1 1359 124 124 MET CG C 32.173 0.041 1 1360 124 124 MET CE C 16.699 . 1 1361 124 124 MET N N 116.921 0.073 1 1362 125 125 LYS H H 8.166 0.003 1 1363 125 125 LYS HA H 4.054 0.006 1 1364 125 125 LYS HB2 H 2.051 0.007 2 1365 125 125 LYS HB3 H 1.920 0.009 2 1366 125 125 LYS HG2 H 1.703 0.006 2 1367 125 125 LYS HG3 H 1.464 0.004 2 1368 125 125 LYS HD2 H 1.712 0.007 2 1369 125 125 LYS HD3 H 1.714 0.003 2 1370 125 125 LYS HE2 H 2.950 0.005 1 1371 125 125 LYS HE3 H 2.950 0.005 1 1372 125 125 LYS C C 180.554 . 1 1373 125 125 LYS CA C 59.944 0.036 1 1374 125 125 LYS CB C 32.799 0.064 1 1375 125 125 LYS CG C 25.573 0.113 1 1376 125 125 LYS CD C 29.303 0.035 1 1377 125 125 LYS CE C 42.005 0.068 1 1378 125 125 LYS N N 120.690 0.166 1 1379 126 126 LEU H H 8.834 0.005 1 1380 126 126 LEU HA H 4.127 . 1 1381 126 126 LEU HG H 2.018 . 1 1382 126 126 LEU HD1 H 1.074 0.006 1 1383 126 126 LEU HD2 H 0.893 0.005 1 1384 126 126 LEU C C 179.173 . 1 1385 126 126 LEU CA C 57.888 0.07 1 1386 126 126 LEU CB C 43.560 . 1 1387 126 126 LEU CD1 C 28.402 0.029 1 1388 126 126 LEU CD2 C 23.041 . 1 1389 126 126 LEU N N 121.483 0.095 1 1390 127 127 GLN H H 9.002 0.006 1 1391 127 127 GLN HA H 3.890 0.004 1 1392 127 127 GLN HB2 H 1.901 . 2 1393 127 127 GLN HB3 H 2.354 0.0 2 1394 127 127 GLN HG2 H 2.801 0.008 2 1395 127 127 GLN HG3 H 2.360 . 2 1396 127 127 GLN HE21 H 6.728 . 1 1397 127 127 GLN HE22 H 7.643 . 1 1398 127 127 GLN C C 179.826 . 1 1399 127 127 GLN CA C 59.781 0.036 1 1400 127 127 GLN CB C 28.319 . 1 1401 127 127 GLN CG C 35.320 0.007 1 1402 127 127 GLN N N 119.554 0.118 1 1403 127 127 GLN NE2 N 109.610 0.015 1 1404 128 128 LYS H H 7.559 0.004 1 1405 128 128 LYS HA H 4.128 0.013 1 1406 128 128 LYS HB2 H 2.041 0.002 2 1407 128 128 LYS HB3 H 1.946 0.001 2 1408 128 128 LYS HG2 H 1.530 0.007 2 1409 128 128 LYS HG3 H 1.674 0.004 2 1410 128 128 LYS HD2 H 1.821 0.002 2 1411 128 128 LYS HD3 H 1.681 0.002 2 1412 128 128 LYS HE2 H 3.063 0.015 1 1413 128 128 LYS HE3 H 3.063 0.015 1 1414 128 128 LYS C C 177.824 . 1 1415 128 128 LYS CA C 58.971 0.073 1 1416 128 128 LYS CB C 31.945 0.096 1 1417 128 128 LYS CG C 25.347 0.097 1 1418 128 128 LYS CD C 28.560 0.07 1 1419 128 128 LYS CE C 42.309 0.002 1 1420 128 128 LYS N N 120.220 0.075 1 1421 129 129 LYS H H 7.875 0.007 1 1422 129 129 LYS HA H 4.245 0.008 1 1423 129 129 LYS HB2 H 2.103 0.002 2 1424 129 129 LYS HB3 H 2.031 0.005 2 1425 129 129 LYS HG2 H 1.576 0.037 2 1426 129 129 LYS HG3 H 1.668 0.03 2 1427 129 129 LYS HD2 H 1.835 0.007 2 1428 129 129 LYS HD3 H 1.809 0.006 2 1429 129 129 LYS HE2 H 3.035 0.001 2 1430 129 129 LYS HE3 H 2.963 . 2 1431 129 129 LYS C C 179.049 . 1 1432 129 129 LYS CA C 59.081 0.122 1 1433 129 129 LYS CB C 31.859 0.008 1 1434 129 129 LYS CG C 24.849 0.151 1 1435 129 129 LYS CD C 28.882 0.136 1 1436 129 129 LYS CE C 41.942 0.026 1 1437 129 129 LYS N N 120.328 0.146 1 1438 130 130 VAL H H 8.688 0.015 1 1439 130 130 VAL HA H 3.499 0.008 1 1440 130 130 VAL HB H 2.228 0.014 1 1441 130 130 VAL HG1 H 0.938 0.009 1 1442 130 130 VAL HG2 H 1.091 0.005 1 1443 130 130 VAL C C 179.565 . 1 1444 130 130 VAL CA C 67.653 0.073 1 1445 130 130 VAL CB C 31.831 0.054 1 1446 130 130 VAL CG1 C 21.581 0.113 1 1447 130 130 VAL CG2 C 25.084 0.066 1 1448 130 130 VAL N N 118.093 0.084 1 1449 131 131 GLN H H 7.987 0.007 1 1450 131 131 GLN HA H 4.049 0.009 1 1451 131 131 GLN HB2 H 2.340 0.009 2 1452 131 131 GLN HB3 H 2.273 0.004 2 1453 131 131 GLN HG2 H 2.485 0.004 2 1454 131 131 GLN HG3 H 2.540 0.002 2 1455 131 131 GLN HE21 H 6.820 . 1 1456 131 131 GLN HE22 H 7.482 . 1 1457 131 131 GLN C C 178.879 . 1 1458 131 131 GLN CA C 59.555 0.123 1 1459 131 131 GLN CB C 28.301 0.04 1 1460 131 131 GLN CG C 34.064 0.037 1 1461 131 131 GLN N N 122.535 0.176 1 1462 131 131 GLN NE2 N 110.749 0.033 1 1463 132 132 ASP H H 8.732 0.004 1 1464 132 132 ASP HA H 4.434 0.002 1 1465 132 132 ASP HB2 H 2.921 0.003 2 1466 132 132 ASP HB3 H 2.697 . 2 1467 132 132 ASP C C 179.736 . 1 1468 132 132 ASP CA C 57.520 0.089 1 1469 132 132 ASP CB C 40.261 . 1 1470 132 132 ASP N N 122.118 0.137 1 1471 133 133 LEU H H 8.719 0.003 1 1472 133 133 LEU HA H 4.151 0.009 1 1473 133 133 LEU HB2 H 1.330 0.02 2 1474 133 133 LEU HB3 H 2.085 . 2 1475 133 133 LEU HG H 2.014 0.005 1 1476 133 133 LEU HD1 H 0.966 0.008 1 1477 133 133 LEU HD2 H 0.890 0.009 1 1478 133 133 LEU C C 179.105 . 1 1479 133 133 LEU CA C 58.079 0.054 1 1480 133 133 LEU CB C 43.323 0.051 1 1481 133 133 LEU CG C 27.224 . 1 1482 133 133 LEU CD1 C 27.750 0.075 1 1483 133 133 LEU CD2 C 22.957 0.089 1 1484 133 133 LEU N N 120.240 0.097 1 1485 134 134 THR H H 8.401 0.001 1 1486 134 134 THR HA H 3.862 0.008 1 1487 134 134 THR HB H 4.363 0.005 1 1488 134 134 THR HG2 H 1.292 0.003 1 1489 134 134 THR C C 177.165 . 1 1490 134 134 THR CA C 67.452 0.104 1 1491 134 134 THR CB C 68.691 0.034 1 1492 134 134 THR CG2 C 21.171 0.025 1 1493 134 134 THR N N 114.987 0.114 1 1494 135 135 ALA H H 7.850 0.004 1 1495 135 135 ALA HA H 4.225 0.007 1 1496 135 135 ALA HB H 1.579 0.007 1 1497 135 135 ALA C C 180.449 . 1 1498 135 135 ALA CA C 55.020 0.045 1 1499 135 135 ALA CB C 18.007 0.051 1 1500 135 135 ALA N N 124.179 0.094 1 1501 136 136 LEU H H 7.691 0.019 1 1502 136 136 LEU HA H 4.208 0.01 1 1503 136 136 LEU HB2 H 2.044 0.007 2 1504 136 136 LEU HB3 H 1.676 0.005 2 1505 136 136 LEU HG H 1.849 0.011 1 1506 136 136 LEU HD1 H 0.976 0.005 1 1507 136 136 LEU HD2 H 0.936 0.003 1 1508 136 136 LEU C C 179.634 . 1 1509 136 136 LEU CA C 57.186 0.094 1 1510 136 136 LEU CB C 42.495 0.081 1 1511 136 136 LEU CG C 26.860 0.045 1 1512 136 136 LEU CD1 C 25.093 0.089 1 1513 136 136 LEU CD2 C 23.563 0.015 1 1514 136 136 LEU N N 118.978 0.065 1 1515 137 137 LEU H H 7.974 0.024 1 1516 137 137 LEU HA H 4.154 0.012 1 1517 137 137 LEU HB2 H 1.839 0.005 2 1518 137 137 LEU HB3 H 1.734 0.007 2 1519 137 137 LEU HG H 1.772 0.006 1 1520 137 137 LEU HD1 H 0.985 0.012 1 1521 137 137 LEU HD2 H 0.914 0.005 1 1522 137 137 LEU C C 178.449 . 1 1523 137 137 LEU CA C 56.875 0.059 1 1524 137 137 LEU CB C 42.654 0.108 1 1525 137 137 LEU CG C 27.365 0.037 1 1526 137 137 LEU CD1 C 25.924 0.072 1 1527 137 137 LEU CD2 C 24.348 0.098 1 1528 137 137 LEU N N 119.786 0.055 1 1529 138 138 SER H H 7.913 0.006 1 1530 138 138 SER HA H 4.470 0.017 1 1531 138 138 SER HB2 H 4.004 0.007 2 1532 138 138 SER HB3 H 4.005 0.008 2 1533 138 138 SER C C 174.917 . 1 1534 138 138 SER CA C 59.504 0.042 1 1535 138 138 SER CB C 63.772 0.006 1 1536 138 138 SER N N 113.970 0.125 1 1537 139 139 SER H H 7.901 0.006 1 1538 139 139 SER HA H 4.520 0.002 1 1539 139 139 SER HB2 H 3.980 . 2 1540 139 139 SER HB3 H 3.965 . 2 1541 139 139 SER C C 174.598 . 1 1542 139 139 SER CA C 58.829 0.029 1 1543 139 139 SER CB C 64.002 0.001 1 1544 139 139 SER N N 116.544 0.057 1 1545 140 140 LYS H H 8.015 0.005 1 1546 140 140 LYS HA H 4.412 0.007 1 1547 140 140 LYS HB2 H 1.945 0.004 2 1548 140 140 LYS HB3 H 1.841 0.005 2 1549 140 140 LYS HG2 H 1.505 0.003 1 1550 140 140 LYS HG3 H 1.505 0.003 1 1551 140 140 LYS HD2 H 1.714 0.006 1 1552 140 140 LYS HD3 H 1.714 0.006 1 1553 140 140 LYS HE2 H 3.040 0.003 2 1554 140 140 LYS HE3 H 3.040 0.003 2 1555 140 140 LYS C C 176.243 . 1 1556 140 140 LYS CA C 56.410 0.064 1 1557 140 140 LYS CB C 33.114 0.047 1 1558 140 140 LYS CG C 24.561 0.039 1 1559 140 140 LYS CD C 29.028 0.065 1 1560 140 140 LYS CE C 41.964 0.003 1 1561 140 140 LYS N N 122.714 0.102 1 1562 141 141 ASP H H 8.225 0.002 1 1563 141 141 ASP HA H 4.712 0.003 1 1564 141 141 ASP HB2 H 2.778 0.005 2 1565 141 141 ASP HB3 H 2.582 0.005 2 1566 141 141 ASP C C 175.127 . 1 1567 141 141 ASP CA C 54.442 0.078 1 1568 141 141 ASP CB C 41.647 0.193 1 1569 141 141 ASP N N 121.859 0.13 1 1570 142 142 ASP H H 7.846 0.004 1 1571 142 142 ASP HA H 4.387 0.003 1 1572 142 142 ASP HB2 H 2.654 0.002 2 1573 142 142 ASP HB3 H 2.608 0.001 2 1574 142 142 ASP C C 181.119 . 1 1575 142 142 ASP CA C 55.909 0.026 1 1576 142 142 ASP CB C 42.410 0.021 1 1577 142 142 ASP N N 125.963 0.098 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 30543 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 7 >> _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 >># FORMAT xeasy3D >># INAME 1 HC >># INAME 2 C >># INAME 3 H >># SPECTRUM C13NOESY HC C H >> 1 7.991 140.151 0.948 8 T 1.817e+06 0.000e+00 a 0 0 0 0 0 >>5001 7.991 140.151 0.948 8 T 1.817e+06 0.000e+00 a 0 0 0 0 0 >> 2 7.994 140.170 5.762 8 T 1.538e+06 0.000e+00 a 0 0 0 0 0 >>5002 7.994 140.170 5.762 8 T 1.538e+06 0.000e+00 a 0 0 0 0 0 >> 3 7.994 140.111 6.374 8 T 8.640e+05 0.000e+00 a 0 0 0 0 0 >>5003 7.994 140.111 6.374 8 T 8.640e+05 0.000e+00 a 0 0 0 0 0 >> 5 7.133 119.870 0.938 8 T 1.622e+06 0.000e+00 a 0 0 0 0 0 >>5005 7.133 119.870 0.938 8 T 1.622e+06 0.000e+00 a 0 0 0 0 0 >> 6 7.675 120.215 6.642 8 T 1.358e+06 0.000e+00 a 0 0 0 0 0 >>5006 7.675 120.215 6.642 8 T 1.358e+06 0.000e+00 a 0 0 0 0 0 >> 7 7.690 120.005 0.889 8 T 1.988e+06 0.000e+00 a 0 0 0 0 0 >>5007 7.690 120.005 0.889 8 T 1.988e+06 0.000e+00 a 0 0 0 0 0 >> 9 6.635 121.674 0.923 8 T 1.792e+06 0.000e+00 a 0 0 0 0 0 >>5009 6.635 121.674 0.923 8 T 1.792e+06 0.000e+00 a 0 0 0 0 0 >> 12 6.524 124.224 0.821 8 T 1.648e+06 0.000e+00 a 0 0 0 0 0 >>5012 6.524 124.224 0.821 8 T 1.648e+06 0.000e+00 a 0 0 0 0 0 >> 13 7.315 131.896 4.474 8 T 1.300e+06 0.000e+00 a 0 0 0 0 0 >>5013 7.315 131.896 4.474 8 T 1.300e+06 0.000e+00 a 0 0 0 0 0 >> 14 7.380 131.652 4.475 8 T 1.182e+06 0.000e+00 a 0 0 0 0 0 >>5014 7.380 131.652 4.475 8 T 1.182e+06 0.000e+00 a 0 0 0 0 0 >> 15 7.381 131.733 0.352 8 T 1.272e+06 0.000e+00 a 0 0 0 0 0 >>5015 7.381 131.733 0.352 8 T 1.272e+06 0.000e+00 a 0 0 0 0 0 >> 16 7.322 131.667 0.349 8 T 1.184e+06 0.000e+00 a 0 0 0 0 0 >>5016 7.322 131.667 0.349 8 T 1.184e+06 0.000e+00 a 0 0 0 0 0 >> 18 6.982 130.076 0.367 8 T 2.992e+06 0.000e+00 a 0 0 0 0 0 >>5018 6.982 130.076 0.367 8 T 2.992e+06 0.000e+00 a 0 0 0 0 0 >> 19 6.987 129.686 0.482 8 T 2.288e+06 0.000e+00 a 0 0 0 0 0 >>5019 6.987 129.686 0.482 8 T 2.288e+06 0.000e+00 a 0 0 0 0 0 >> 20 6.974 129.960 0.778 8 T 2.920e+06 0.000e+00 a 0 0 0 0 0 >>5020 6.974 129.960 0.778 8 T 2.920e+06 0.000e+00 a 0 0 0 0 0 >> 21 6.982 129.890 0.910 8 T 4.274e+06 0.000e+00 a 0 0 0 0 0 >>5021 6.982 129.890 0.910 8 T 4.274e+06 0.000e+00 a 0 0 0 0 0 >> 22 6.979 130.063 1.030 8 T 4.196e+06 0.000e+00 a 0 0 0 0 0 >>5022 6.979 130.063 1.030 8 T 4.196e+06 0.000e+00 a 0 0 0 0 0 >> 23 6.931 131.552 1.037 8 T 3.564e+06 0.000e+00 a 0 0 0 0 0 >>5023 6.931 131.552 1.037 8 T 3.564e+06 0.000e+00 a 0 0 0 0 0 >> 24 6.931 131.784 0.899 8 T 5.040e+06 0.000e+00 a 0 0 0 0 0 >>5024 6.931 131.784 0.899 8 T 5.040e+06 0.000e+00 a 0 0 0 0 0 >> 26 6.925 131.584 0.380 8 T 2.554e+06 0.000e+00 a 0 0 0 0 0 >>5026 6.925 131.584 0.380 8 T 2.554e+06 0.000e+00 a 0 0 0 0 0 >> 27 6.922 131.765 3.478 8 T 2.410e+06 0.000e+00 a 0 0 0 0 0 >>5027 6.922 131.765 3.478 8 T 2.410e+06 0.000e+00 a 0 0 0 0 0 >> 28 6.923 131.636 4.269 8 T 1.594e+06 0.000e+00 a 0 0 0 0 0 >>5028 6.923 131.636 4.269 8 T 1.594e+06 0.000e+00 a 0 0 0 0 0 >> 29 6.930 131.532 3.087 8 T 1.964e+06 0.000e+00 a 0 0 0 0 0 >>5029 6.930 131.532 3.087 8 T 1.964e+06 0.000e+00 a 0 0 0 0 0 >> 31 6.507 124.402 6.923 8 T 1.616e+06 0.000e+00 a 0 0 0 0 0 >>5031 6.507 124.402 6.923 8 T 1.616e+06 0.000e+00 a 0 0 0 0 0 >> 32 6.922 128.894 0.777 8 T 1.906e+06 0.000e+00 a 0 0 0 0 0 >>5032 6.922 128.894 0.777 8 T 1.906e+06 0.000e+00 a 0 0 0 0 0 >> 33 6.925 129.172 0.925 8 T 2.208e+06 0.000e+00 a 0 0 0 0 0 >>5033 6.925 129.172 0.925 8 T 2.208e+06 0.000e+00 a 0 0 0 0 0 >> 34 6.934 128.795 1.021 8 T 2.060e+06 0.000e+00 a 0 0 0 0 0 >>5034 6.934 128.795 1.021 8 T 2.060e+06 0.000e+00 a 0 0 0 0 0 >> 35 7.149 130.692 6.733 8 T 4.552e+06 0.000e+00 a 0 0 0 0 0 >>5035 7.149 130.692 6.733 8 T 4.552e+06 0.000e+00 a 0 0 0 0 0 >> 36 7.138 130.575 3.968 8 T 2.336e+06 0.000e+00 a 0 0 0 0 0 >>5036 7.138 130.575 3.968 8 T 2.336e+06 0.000e+00 a 0 0 0 0 0 >> 37 7.136 132.244 3.946 8 T 3.468e+06 0.000e+00 a 0 0 0 0 0 >>5037 7.136 132.244 3.946 8 T 3.468e+06 0.000e+00 a 0 0 0 0 0 >> 38 7.157 130.847 2.996 8 T 1.938e+06 0.000e+00 a 0 0 0 0 0 >>5038 7.157 130.847 2.996 8 T 1.938e+06 0.000e+00 a 0 0 0 0 0 >> 40 7.142 130.872 1.019 8 T 2.281e+06 0.000e+00 a 0 0 0 0 0 >>5040 7.142 130.872 1.019 8 T 2.281e+06 0.000e+00 a 0 0 0 0 0 >> 41 7.149 130.673 0.788 8 T 1.557e+06 0.000e+00 a 0 0 0 0 0 >>5041 7.149 130.673 0.788 8 T 1.557e+06 0.000e+00 a 0 0 0 0 0 >> 43 7.125 132.180 1.040 8 T 2.147e+06 0.000e+00 a 0 0 0 0 0 >>5043 7.125 132.180 1.040 8 T 2.147e+06 0.000e+00 a 0 0 0 0 0 >> 44 6.734 127.218 7.164 8 T 3.562e+06 0.000e+00 a 0 0 0 0 0 >>5044 6.734 127.218 7.164 8 T 3.562e+06 0.000e+00 a 0 0 0 0 0 >> 47 6.505 118.398 6.834 8 T 2.596e+06 0.000e+00 a 0 0 0 0 0 >>5047 6.505 118.398 6.834 8 T 2.596e+06 0.000e+00 a 0 0 0 0 0 >> 48 7.211 133.138 6.822 8 T 2.811e+06 0.000e+00 a 0 0 0 0 0 >>5048 7.211 133.138 6.822 8 T 2.811e+06 0.000e+00 a 0 0 0 0 0 >> 49 7.154 133.230 6.875 8 T 6.715e+07 0.000e+00 a 0 0 0 0 0 >>5049 7.154 133.230 6.875 8 T 6.715e+07 0.000e+00 a 0 0 0 0 0 >> 50 7.153 133.146 4.662 8 T 1.250e+07 0.000e+00 a 0 0 0 0 0 >>5050 7.153 133.146 4.662 8 T 1.250e+07 0.000e+00 a 0 0 0 0 0 >> 52 7.154 133.313 2.984 8 T 1.240e+07 0.000e+00 a 0 0 0 0 0 >>5052 7.154 133.313 2.984 8 T 1.240e+07 0.000e+00 a 0 0 0 0 0 >> 54 7.155 133.156 3.134 8 T 1.370e+07 0.000e+00 a 0 0 0 0 0 >>5054 7.155 133.156 3.134 8 T 1.370e+07 0.000e+00 a 0 0 0 0 0 >> 58 6.870 118.222 7.147 8 T 6.605e+07 0.000e+00 a 0 0 0 0 0 >>5058 6.870 118.222 7.147 8 T 6.605e+07 0.000e+00 a 0 0 0 0 0 >> 59 6.871 118.380 4.631 8 T 6.795e+06 0.000e+00 a 0 0 0 0 0 >>5059 6.871 118.380 4.631 8 T 6.795e+06 0.000e+00 a 0 0 0 0 0 >> 61 6.859 132.606 6.458 8 T 3.165e+06 0.000e+00 a 0 0 0 0 0 >>5061 6.859 132.606 6.458 8 T 3.165e+06 0.000e+00 a 0 0 0 0 0 >> 64 6.831 132.799 0.842 8 T 2.240e+06 0.000e+00 a 0 0 0 0 0 >>5064 6.831 132.799 0.842 8 T 2.240e+06 0.000e+00 a 0 0 0 0 0 >> 65 6.511 118.655 0.162 8 T 1.445e+06 0.000e+00 a 0 0 0 0 0 >>5065 6.511 118.655 0.162 8 T 1.445e+06 0.000e+00 a 0 0 0 0 0 >> 68 6.370 118.539 5.760 8 T 5.105e+06 0.000e+00 a 0 0 0 0 0 >>5068 6.370 118.539 5.760 8 T 5.105e+06 0.000e+00 a 0 0 0 0 0 >> 70 6.381 118.454 1.933 8 T 1.852e+06 0.000e+00 a 0 0 0 0 0 >>5070 6.381 118.454 1.933 8 T 1.852e+06 0.000e+00 a 0 0 0 0 0 >> 72 6.380 118.597 0.918 8 T 4.822e+06 0.000e+00 a 0 0 0 0 0 >>5072 6.380 118.597 0.918 8 T 4.822e+06 0.000e+00 a 0 0 0 0 0 >> 73 6.382 118.712 0.383 8 T 3.636e+06 0.000e+00 a 0 0 0 0 0 >>5073 6.382 118.712 0.383 8 T 3.636e+06 0.000e+00 a 0 0 0 0 0 >> 74 6.769 117.867 7.178 1 T 4.799e+06 0.000e+00 a 0 0 0 0 0 >> 77 7.023 133.551 6.698 8 T 3.191e+06 0.000e+00 a 0 0 0 0 0 >>5077 7.023 133.551 6.698 8 T 3.191e+06 0.000e+00 a 0 0 0 0 0 >> 78 6.690 117.746 7.017 8 T 2.357e+06 0.000e+00 a 0 0 0 0 0 >>5078 6.690 117.746 7.017 8 T 2.357e+06 0.000e+00 a 0 0 0 0 0 >> 79 7.021 133.523 1.898 1 T 3.744e+06 0.000e+00 a 0 0 0 0 0 >> 81 7.016 133.352 0.521 8 T 2.579e+06 0.000e+00 a 0 0 0 0 0 >>5081 7.016 133.352 0.521 8 T 2.579e+06 0.000e+00 a 0 0 0 0 0 >> 82 6.709 118.048 0.525 8 T 2.360e+06 0.000e+00 a 0 0 0 0 0 >>5082 6.709 118.048 0.525 8 T 2.360e+06 0.000e+00 a 0 0 0 0 0 >> 83 6.708 118.077 0.919 8 T 2.626e+06 0.000e+00 a 0 0 0 0 0 >>5083 6.708 118.077 0.919 8 T 2.626e+06 0.000e+00 a 0 0 0 0 0 >> 85 7.016 133.502 0.912 8 T 1.617e+06 0.000e+00 a 0 0 0 0 0 >>5085 7.016 133.502 0.912 8 T 1.617e+06 0.000e+00 a 0 0 0 0 0 >> 87 7.022 133.451 2.448 1 T 4.032e+06 0.000e+00 a 0 0 0 0 0 >> 90 6.447 120.132 1.669 8 T 2.289e+06 0.000e+00 a 0 0 0 0 0 >>5090 6.447 120.132 1.669 8 T 2.289e+06 0.000e+00 a 0 0 0 0 0 >> 94 6.871 118.197 6.873 1 T 1.505e+09 0.000e+00 a 0 0 0 0 0 >> 95 6.623 122.024 7.701 8 T 1.551e+06 0.000e+00 a 0 0 0 0 0 >>5095 6.623 122.024 7.701 8 T 1.551e+06 0.000e+00 a 0 0 0 0 0 >> 96 7.314 131.287 0.911 8 T 1.282e+06 0.000e+00 a 0 0 0 0 0 >>5096 7.314 131.287 0.911 8 T 1.282e+06 0.000e+00 a 0 0 0 0 0 >> 97 7.321 131.545 0.886 8 T 1.504e+06 0.000e+00 a 0 0 0 0 0 >>5097 7.321 131.545 0.886 8 T 1.504e+06 0.000e+00 a 0 0 0 0 0 >> 100 7.013 133.572 0.776 8 T 2.708e+06 0.000e+00 a 0 0 0 0 0 >>5100 7.013 133.572 0.776 8 T 2.708e+06 0.000e+00 a 0 0 0 0 0 >> 101 6.446 120.129 0.414 8 T 1.802e+06 0.000e+00 a 0 0 0 0 0 >>5101 6.446 120.129 0.414 8 T 1.802e+06 0.000e+00 a 0 0 0 0 0 >> 104 6.786 117.985 0.181 8 T 1.361e+06 0.000e+00 a 0 0 0 0 0 >>5104 6.786 117.985 0.181 8 T 1.361e+06 0.000e+00 a 0 0 0 0 0 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 HN 2 aliased 13.9505 ppm . . . 4.7 . . 30543 1 >> 2 . . N 15 N 1 aliased 26.5 ppm . . . 117 . . 30543 1 >> 3 . . H 1 H . aliased 10.2 ppm . . . 4.7 . . 30543 1 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_2 _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 C C-aliphatic 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_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_2 >> _Spectral_peak_list.Entry_ID 30543 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 15 >> _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 >># FORMAT xeasy3D >># INAME 1 HC >># INAME 2 C >># INAME 3 H >># SPECTRUM C13NOESY HC C H >> 1 4.517 58.733 3.979 1 T 5.802e+07 0.000e+00 a 0 0 0 0 0 >> 2 4.499 58.242 3.831 1 T 3.925e+07 0.000e+00 a 0 0 0 0 0 >> 8 3.828 63.912 4.502 1 T 2.866e+07 0.000e+00 a 0 0 0 0 0 >> 9 4.576 54.427 1.297 1 T 5.198e+06 0.000e+00 a 0 0 0 0 0 >> 10 4.583 54.539 1.670 1 T 5.466e+06 0.000e+00 a 0 0 0 0 0 >> 11 4.590 54.641 2.520 8 T 9.200e+06 0.000e+00 a 0 0 0 0 0 >>5011 4.590 54.641 2.520 8 T 9.200e+06 0.000e+00 a 0 0 0 0 0 >> 12 4.588 54.650 2.627 8 T 1.284e+07 0.000e+00 a 0 0 0 0 0 >>5012 4.588 54.650 2.627 8 T 1.284e+07 0.000e+00 a 0 0 0 0 0 >> 18 4.578 54.467 1.822 1 T 4.067e+06 0.000e+00 a 0 0 0 0 0 >> 19 2.506 41.153 2.628 1 T 1.569e+08 0.000e+00 a 0 0 0 0 0 >> 20 2.620 41.156 2.516 1 T 1.780e+08 0.000e+00 a 0 0 0 0 0 >> 21 2.508 41.156 4.598 1 T 1.646e+07 0.000e+00 a 0 0 0 0 0 >> 22 2.623 41.142 4.599 1 T 1.888e+07 0.000e+00 a 0 0 0 0 0 >> 23 2.513 41.282 7.152 1 T 2.015e+06 0.000e+00 a 0 0 0 0 0 >> 24 2.619 41.261 7.155 1 T 2.008e+06 0.000e+00 a 0 0 0 0 0 >> 26 4.662 57.538 2.991 1 T 1.317e+07 0.000e+00 a 0 0 0 0 0 >> 27 4.665 57.545 3.148 1 T 1.599e+07 0.000e+00 a 0 0 0 0 0 >> 28 4.665 57.616 1.949 1 T 1.814e+06 0.000e+00 a 0 0 0 0 0 >> 29 4.664 57.543 4.675 1 T 1.593e+08 0.000e+00 a 0 0 0 0 0 >> 30 4.660 57.572 6.867 1 T 1.623e+06 0.000e+00 a 0 0 0 0 0 >> 31 4.664 57.540 7.148 1 T 1.017e+07 0.000e+00 a 0 0 0 0 0 >> 32 3.139 38.883 4.674 1 T 1.485e+07 0.000e+00 a 0 0 0 0 0 >> 33 2.977 38.901 4.674 1 T 1.349e+07 0.000e+00 a 0 0 0 0 0 >> 34 2.978 38.884 7.149 1 T 1.198e+07 0.000e+00 a 0 0 0 0 0 >> 35 3.138 38.901 7.149 1 T 9.909e+06 0.000e+00 a 0 0 0 0 0 >> 36 3.136 38.864 6.875 1 T 1.471e+06 0.000e+00 a 0 0 0 0 0 >> 37 2.975 39.105 6.876 1 T 1.475e+06 0.000e+00 a 0 0 0 0 0 >> 38 2.977 38.894 3.147 1 T 6.962e+07 0.000e+00 a 0 0 0 0 0 >> 39 3.140 38.879 2.989 1 T 6.565e+07 0.000e+00 a 0 0 0 0 0 >> 40 4.338 56.258 1.941 1 T 1.577e+07 0.000e+00 a 0 0 0 0 0 >> 41 4.337 56.258 2.058 1 T 1.770e+07 0.000e+00 a 0 0 0 0 0 >> 42 4.337 56.245 2.258 1 T 1.346e+07 0.000e+00 a 0 0 0 0 0 >> 43 4.342 56.249 7.140 1 T 9.141e+05 0.000e+00 a 0 0 0 0 0 >> 44 2.051 30.924 4.347 1 T 1.586e+07 0.000e+00 a 0 0 0 0 0 >> 45 1.932 30.925 4.342 1 T 1.494e+07 0.000e+00 a 0 0 0 0 0 >> 46 2.061 30.985 4.726 1 T 1.920e+06 0.000e+00 a 0 0 0 0 0 >> 48 1.920 30.933 4.708 1 T 1.264e+06 0.000e+00 a 0 0 0 0 0 >> 50 2.057 30.972 3.976 1 T 3.798e+06 0.000e+00 a 0 0 0 0 0 >> 52 1.905 31.294 3.977 1 T 4.182e+06 0.000e+00 a 0 0 0 0 0 >> 53 1.930 30.918 2.254 1 T 3.036e+07 0.000e+00 a 0 0 0 0 0 >> 54 2.052 30.940 2.254 1 T 3.229e+07 0.000e+00 a 0 0 0 0 0 >> 55 1.930 30.919 2.058 1 T 6.812e+07 0.000e+00 a 0 0 0 0 0 >> 56 2.051 30.949 1.942 1 T 6.688e+07 0.000e+00 a 0 0 0 0 0 >> 57 2.244 36.387 1.947 1 T 2.772e+07 0.000e+00 a 0 0 0 0 0 >> 58 2.249 36.347 2.078 1 T 6.470e+07 0.000e+00 a 0 0 0 0 0 >> 61 2.245 36.281 3.991 1 T 1.403e+07 0.000e+00 a 0 0 0 0 0 >> 62 2.249 36.341 4.352 1 T 1.636e+07 0.000e+00 a 0 0 0 0 0 >> 63 4.741 53.488 2.783 1 T 2.594e+07 0.000e+00 a 0 0 0 0 0 >> 65 4.702 52.949 0.844 1 T 4.555e+06 0.000e+00 a 0 0 0 0 0 >> 67 2.754 39.676 4.750 1 T 1.667e+07 0.000e+00 a 0 0 0 0 0 >> 68 2.811 39.663 4.749 1 T 1.714e+07 0.000e+00 a 0 0 0 0 0 >> 72 4.926 53.166 2.791 1 T 1.612e+06 0.000e+00 a 0 0 0 0 0 >> 73 4.944 53.154 2.876 1 T 1.269e+06 0.000e+00 a 0 0 0 0 0 >> 75 4.941 53.335 4.726 1 T 1.141e+06 0.000e+00 a 0 0 0 0 0 >> 76 4.666 56.194 2.801 1 T 2.023e+06 0.000e+00 a 0 0 0 0 0 >> 78 4.153 59.231 2.134 1 T 1.237e+07 0.000e+00 a 0 0 0 0 0 >> 79 4.136 58.711 1.546 1 T 6.229e+06 0.000e+00 a 0 0 0 0 0 >> 81 4.080 59.730 0.929 1 T 5.704e+06 0.000e+00 a 0 0 0 0 0 >> 83 4.167 59.437 2.253 1 T 1.044e+07 0.000e+00 a 0 0 0 0 0 >> 84 4.006 59.141 2.121 1 T 1.187e+07 0.000e+00 a 0 0 0 0 0 >> 85 4.031 59.378 2.254 1 T 8.981e+06 0.000e+00 a 0 0 0 0 0 >> 86 2.131 29.405 4.166 1 T 1.955e+07 0.000e+00 a 0 0 0 0 0 >> 87 2.109 29.643 4.004 1 T 1.295e+07 0.000e+00 a 0 0 0 0 0 >> 90 2.205 28.820 4.104 1 T 9.698e+06 0.000e+00 a 0 0 0 0 0 >> 91 2.126 29.404 2.366 1 T 4.385e+07 0.000e+00 a 0 0 0 0 0 >> 92 2.359 36.170 4.375 1 T 5.721e+06 0.000e+00 a 0 0 0 0 0 >> 93 2.354 36.377 4.159 1 T 2.389e+07 0.000e+00 a 0 0 0 0 0 >> 97 2.351 36.376 2.133 1 T 1.101e+08 0.000e+00 a 0 0 0 0 0 >> 99 2.356 36.397 1.143 8 T 2.528e+06 0.000e+00 a 0 0 0 0 0 >>5099 2.356 36.397 1.143 8 T 2.528e+06 0.000e+00 a 0 0 0 0 0 >> 102 4.282 61.953 4.139 1 T 5.871e+06 0.000e+00 a 0 0 0 0 0 >> 103 4.127 62.586 4.286 1 T 6.205e+06 0.000e+00 a 0 0 0 0 0 >> 104 4.288 61.958 4.010 1 T 4.823e+06 0.000e+00 a 0 0 0 0 0 >> 105 4.284 61.918 2.416 1 T 2.341e+06 0.000e+00 a 0 0 0 0 0 >> 106 4.277 61.933 2.259 1 T 1.862e+06 0.000e+00 a 0 0 0 0 0 >> 107 4.289 61.937 2.147 1 T 1.523e+06 0.000e+00 a 0 0 0 0 0 >> 108 4.123 62.667 4.010 1 T 1.208e+07 0.000e+00 a 0 0 0 0 0 >> 109 4.122 62.581 2.413 1 T 1.378e+06 0.000e+00 a 0 0 0 0 0 >> 110 4.114 62.574 2.260 1 T 1.096e+06 0.000e+00 a 0 0 0 0 0 >> 111 4.120 62.552 2.145 1 T 1.239e+06 0.000e+00 a 0 0 0 0 0 >> 115 4.120 61.854 1.569 1 T 3.119e+06 0.000e+00 a 0 0 0 0 0 >> 116 4.128 62.662 1.123 1 T 1.254e+06 0.000e+00 a 0 0 0 0 0 >> 117 3.911 65.454 2.368 1 T 4.311e+06 0.000e+00 a 0 0 0 0 0 >> 119 3.914 66.102 4.804 1 T 8.225e+06 0.000e+00 a 0 0 0 0 0 >> 120 3.918 65.401 1.125 1 T 1.351e+07 0.000e+00 a 0 0 0 0 0 >> 121 2.358 31.924 1.124 1 T 2.354e+07 0.000e+00 a 0 0 0 0 0 >> 122 2.353 31.916 3.923 1 T 6.704e+06 0.000e+00 a 0 0 0 0 0 >> 123 2.380 31.972 1.984 1 T 8.109e+06 0.000e+00 a 0 0 0 0 0 >> 125 1.090 20.983 0.354 1 T 7.673e+06 0.000e+00 a 0 0 0 0 0 >> 126 1.089 20.924 0.452 1 T 6.267e+06 0.000e+00 a 0 0 0 0 0 >> 127 1.091 21.060 2.362 1 T 3.608e+07 0.000e+00 a 0 0 0 0 0 >> 128 1.137 22.167 3.929 1 T 3.715e+07 0.000e+00 a 0 0 0 0 0 >> 129 1.091 21.087 3.928 1 T 2.645e+07 0.000e+00 a 0 0 0 0 0 >> 130 1.090 21.111 7.373 1 T 9.635e+06 0.000e+00 a 0 0 0 0 0 >> 131 1.096 20.903 4.472 1 T 3.368e+06 0.000e+00 a 0 0 0 0 0 >> 133 1.136 22.151 2.363 1 T 4.460e+07 0.000e+00 a 0 0 0 0 0 >> 135 1.126 22.368 2.135 1 T 1.665e+07 0.000e+00 a 0 0 0 0 0 >> 137 1.135 22.180 0.357 1 T 5.842e+06 0.000e+00 a 0 0 0 0 0 >> 138 4.469 56.349 0.897 1 T 4.768e+06 0.000e+00 a 0 0 0 0 0 >> 139 4.462 56.311 7.346 1 T 1.817e+06 0.000e+00 a 0 0 0 0 0 >> 140 2.110 41.954 1.928 1 T 2.484e+06 0.000e+00 a 0 0 0 0 0 >> 141 2.094 42.068 1.786 1 T 3.163e+06 0.000e+00 a 0 0 0 0 0 >> 142 1.780 41.993 2.100 1 T 3.044e+06 0.000e+00 a 0 0 0 0 0 >> 143 2.100 42.178 0.912 1 T 6.290e+06 0.000e+00 a 0 0 0 0 0 >> 146 2.052 42.450 4.210 1 T 3.710e+06 0.000e+00 a 0 0 0 0 0 >> 147 1.926 27.342 0.905 1 T 1.226e+07 0.000e+00 a 0 0 0 0 0 >> 148 1.934 27.380 0.383 1 T 1.839e+06 0.000e+00 a 0 0 0 0 0 >> 149 1.935 27.248 0.500 1 T 1.363e+06 0.000e+00 a 0 0 0 0 0 >> 150 1.933 27.115 2.295 1 T 6.336e+06 0.000e+00 a 0 0 0 0 0 >> 151 1.930 27.050 3.902 1 T 6.837e+06 0.000e+00 a 0 0 0 0 0 >> 152 2.033 26.969 3.902 1 T 6.710e+06 0.000e+00 a 0 0 0 0 0 >> 153 1.934 27.031 4.870 1 T 2.217e+06 0.000e+00 a 0 0 0 0 0 >> 154 2.027 26.980 4.873 1 T 2.526e+06 0.000e+00 a 0 0 0 0 0 >> 155 1.932 27.107 4.373 1 T 3.644e+06 0.000e+00 a 0 0 0 0 0 >> 156 1.934 27.443 6.392 1 T 1.978e+06 0.000e+00 a 0 0 0 0 0 >> 158 0.886 23.696 1.935 1 T 3.344e+07 0.000e+00 a 0 0 0 0 0 >> 159 0.899 26.207 1.930 1 T 1.864e+07 0.000e+00 a 0 0 0 0 0 >> 160 0.860 24.048 4.166 1 T 2.854e+07 0.000e+00 a 0 0 0 0 0 >> 161 0.907 24.313 4.395 1 T 2.848e+07 0.000e+00 a 0 0 0 0 0 >> 162 0.934 23.511 4.212 1 T 5.065e+07 0.000e+00 a 0 0 0 0 0 >> 163 0.915 24.340 4.172 1 T 5.158e+07 0.000e+00 a 0 0 0 0 0 >> 164 0.910 24.214 3.894 1 T 2.019e+07 0.000e+00 a 0 0 0 0 0 >> 166 0.745 24.226 4.131 1 T 1.605e+07 0.000e+00 a 0 0 0 0 0 >> 167 0.879 23.906 4.476 1 T 1.455e+07 0.000e+00 a 0 0 0 0 0 >> 168 0.990 25.915 4.166 1 T 2.926e+07 0.000e+00 a 0 0 0 0 0 >> 169 0.868 25.908 3.972 1 T 1.747e+07 0.000e+00 a 0 0 0 0 0 >> 170 0.877 25.659 4.248 8 T 7.890e+06 0.000e+00 a 0 0 0 0 0 >>5170 0.877 25.659 4.248 8 T 7.890e+06 0.000e+00 a 0 0 0 0 0 >> 171 0.902 26.209 6.949 1 T 1.113e+07 0.000e+00 a 0 0 0 0 0 >> 172 0.902 26.269 6.385 1 T 7.695e+06 0.000e+00 a 0 0 0 0 0 >> 173 0.879 23.809 6.976 1 T 8.000e+06 0.000e+00 a 0 0 0 0 0 >> 174 0.883 23.926 7.336 1 T 7.813e+06 0.000e+00 a 0 0 0 0 0 >> 175 0.878 23.963 6.386 1 T 6.473e+06 0.000e+00 a 0 0 0 0 0 >> 176 0.907 26.292 5.777 1 T 4.433e+06 0.000e+00 a 0 0 0 0 0 >> 177 0.900 26.229 4.471 1 T 6.573e+06 0.000e+00 a 0 0 0 0 0 >> 178 0.942 23.251 3.226 1 T 7.334e+06 0.000e+00 a 0 0 0 0 0 >> 180 0.901 26.179 2.105 1 T 1.561e+07 0.000e+00 a 0 0 0 0 0 >> 181 0.903 26.066 1.791 1 T 1.972e+07 0.000e+00 a 0 0 0 0 0 >> 182 0.861 24.028 1.765 1 T 3.479e+07 0.000e+00 a 0 0 0 0 0 >> 183 0.864 24.031 1.596 1 T 2.255e+07 0.000e+00 a 0 0 0 0 0 >> 185 0.904 26.232 0.450 1 T 1.611e+07 0.000e+00 a 0 0 0 0 0 >> 187 0.879 23.822 0.379 1 T 2.861e+07 0.000e+00 a 0 0 0 0 0 >> 188 0.927 23.330 0.377 1 T 2.009e+07 0.000e+00 a 0 0 0 0 0 >> 190 0.877 23.906 0.462 1 T 2.533e+07 0.000e+00 a 0 0 0 0 0 >> 191 0.926 24.021 0.454 1 T 1.025e+07 0.000e+00 a 0 0 0 0 0 >> 192 0.746 24.260 0.373 1 T 1.782e+07 0.000e+00 a 0 0 0 0 0 >> 193 0.746 24.158 0.493 1 T 1.730e+07 0.000e+00 a 0 0 0 0 0 >> 194 0.856 24.047 0.126 8 T 5.225e+06 0.000e+00 a 0 0 0 0 0 >>5194 0.856 24.047 0.126 8 T 5.225e+06 0.000e+00 a 0 0 0 0 0 >> 195 2.246 29.468 4.172 1 T 8.376e+06 0.000e+00 a 0 0 0 0 0 >> 196 2.244 29.471 2.152 1 T 2.318e+07 0.000e+00 a 0 0 0 0 0 >> 198 2.249 29.506 2.409 1 T 1.815e+07 0.000e+00 a 0 0 0 0 0 >> 199 2.236 30.200 1.804 1 T 4.898e+06 0.000e+00 a 0 0 0 0 0 >> 200 2.237 30.100 0.898 1 T 4.215e+06 0.000e+00 a 0 0 0 0 0 >> 201 2.409 35.942 4.175 1 T 1.591e+07 0.000e+00 a 0 0 0 0 0 >> 202 2.406 35.984 2.154 1 T 3.535e+07 0.000e+00 a 0 0 0 0 0 >> 204 2.409 35.944 4.279 1 T 9.206e+06 0.000e+00 a 0 0 0 0 0 >> 206 3.994 46.107 3.755 1 T 3.590e+06 0.000e+00 a 0 0 0 0 0 >> 207 3.744 46.109 4.004 1 T 3.647e+06 0.000e+00 a 0 0 0 0 0 >> 208 3.993 46.702 4.370 1 T 1.524e+06 0.000e+00 a 0 0 0 0 0 >> 209 4.351 46.600 4.003 1 T 1.452e+06 0.000e+00 a 0 0 0 0 0 >> 210 3.777 45.811 4.134 1 T 3.357e+06 0.000e+00 a 0 0 0 0 0 >> 211 4.152 45.741 3.772 1 T 3.326e+06 0.000e+00 a 0 0 0 0 0 >> 212 5.011 57.583 0.350 1 T 1.129e+06 0.000e+00 a 0 0 0 0 0 >> 216 5.014 57.533 0.910 1 T 1.366e+06 0.000e+00 a 0 0 0 0 0 >> 217 5.015 57.624 1.046 1 T 1.291e+06 0.000e+00 a 0 0 0 0 0 >> 218 5.009 57.581 1.211 1 T 1.288e+06 0.000e+00 a 0 0 0 0 0 >> 220 5.011 57.539 1.567 1 T 7.502e+05 0.000e+00 a 0 0 0 0 0 >> 222 5.000 57.603 2.106 1 T 7.669e+05 0.000e+00 a 0 0 0 0 0 >> 223 5.006 57.533 2.836 1 T 1.979e+06 0.000e+00 a 0 0 0 0 0 >> 224 5.015 57.607 3.464 1 T 2.020e+06 0.000e+00 a 0 0 0 0 0 >> 225 5.011 57.564 4.270 1 T 1.270e+06 0.000e+00 a 0 0 0 0 0 >> 226 5.011 57.573 7.328 1 T 3.665e+06 0.000e+00 a 0 0 0 0 0 >> 227 3.443 40.312 2.838 1 T 9.054e+05 0.000e+00 a 0 0 0 0 0 >> 228 3.444 40.168 0.927 1 T 1.327e+06 0.000e+00 a 0 0 0 0 0 >> 229 3.434 40.050 1.058 1 T 1.058e+06 0.000e+00 a 0 0 0 0 0 >> 230 3.444 39.870 0.417 1 T 6.776e+05 0.000e+00 a 0 0 0 0 0 >> 231 3.457 39.844 6.962 1 T 8.181e+05 0.000e+00 a 0 0 0 0 0 >> 232 3.446 40.307 7.337 1 T 9.119e+05 0.000e+00 a 0 0 0 0 0 >> 233 3.450 40.331 5.017 1 T 7.596e+05 0.000e+00 a 0 0 0 0 0 >> 235 3.802 62.202 3.318 1 T 1.264e+06 0.000e+00 a 0 0 0 0 0 >> 236 3.774 62.198 3.339 1 T 1.301e+06 0.000e+00 a 0 0 0 0 0 >> 237 3.777 62.082 1.589 1 T 1.712e+06 0.000e+00 a 0 0 0 0 0 >> 239 3.787 62.084 1.971 8 T 8.230e+05 0.000e+00 a 0 0 0 0 0 >>5239 3.787 62.084 1.971 8 T 8.230e+05 0.000e+00 a 0 0 0 0 0 >> 240 3.791 62.272 2.173 1 T 2.057e+06 0.000e+00 a 0 0 0 0 0 >> 241 3.787 62.235 1.052 1 T 2.443e+06 0.000e+00 a 0 0 0 0 0 >> 250 2.194 31.041 4.372 1 T 3.336e+06 0.000e+00 a 0 0 0 0 0 >> 252 1.926 30.954 3.215 1 T 3.266e+06 0.000e+00 a 0 0 0 0 0 >> 253 2.193 30.881 3.299 1 T 2.848e+06 0.000e+00 a 0 0 0 0 0 >> 256 2.193 30.989 1.593 1 T 4.448e+06 0.000e+00 a 0 0 0 0 0 >> 257 1.607 29.163 3.308 1 T 5.733e+06 0.000e+00 a 0 0 0 0 0 >> 258 1.545 29.288 3.295 1 T 4.443e+06 0.000e+00 a 0 0 0 0 0 >> 260 1.599 29.153 3.821 1 T 5.960e+06 0.000e+00 a 0 0 0 0 0 >> 262 1.543 29.246 3.801 1 T 4.272e+06 0.000e+00 a 0 0 0 0 0 >> 264 1.600 29.314 4.190 1 T 4.110e+06 0.000e+00 a 0 0 0 0 0 >> 265 1.554 29.298 4.190 8 T 2.566e+06 0.000e+00 a 0 0 0 0 0 >>5265 1.554 29.298 4.190 8 T 2.566e+06 0.000e+00 a 0 0 0 0 0 >> 266 1.550 29.321 4.318 1 T 5.913e+06 0.000e+00 a 0 0 0 0 0 >> 267 1.608 29.142 4.571 1 T 4.584e+06 0.000e+00 a 0 0 0 0 0 >> 268 1.685 29.169 7.364 1 T 4.748e+06 0.000e+00 a 0 0 0 0 0 >> 270 1.599 29.189 1.298 1 T 2.006e+07 0.000e+00 a 0 0 0 0 0 >> 271 1.553 29.315 1.258 1 T 1.588e+07 0.000e+00 a 0 0 0 0 0 >> 272 1.600 29.248 0.551 1 T 2.824e+06 0.000e+00 a 0 0 0 0 0 >> 274 1.601 29.175 0.728 1 T 3.162e+06 0.000e+00 a 0 0 0 0 0 >> 275 1.553 29.089 0.736 1 T 2.737e+06 0.000e+00 a 0 0 0 0 0 >> 277 3.239 42.985 2.193 1 T 5.529e+06 0.000e+00 a 0 0 0 0 0 >> 278 3.318 43.073 2.207 1 T 6.186e+06 0.000e+00 a 0 0 0 0 0 >> 279 3.249 42.710 3.974 1 T 6.727e+06 0.000e+00 a 0 0 0 0 0 >> 281 3.294 43.241 2.019 1 T 2.939e+07 0.000e+00 a 0 0 0 0 0 >> 282 3.294 43.229 1.679 1 T 3.229e+07 0.000e+00 a 0 0 0 0 0 >> 283 3.293 43.244 1.805 1 T 2.978e+07 0.000e+00 a 0 0 0 0 0 >> 284 3.243 42.759 1.883 1 T 7.962e+06 0.000e+00 a 0 0 0 0 0 >> 285 3.240 42.924 1.568 1 T 1.367e+07 0.000e+00 a 0 0 0 0 0 >> 286 3.249 42.712 1.401 1 T 7.168e+06 0.000e+00 a 0 0 0 0 0 >> 289 3.248 43.003 0.920 1 T 4.290e+06 0.000e+00 a 0 0 0 0 0 >> 290 3.295 43.216 0.934 1 T 2.193e+07 0.000e+00 a 0 0 0 0 0 >> 291 3.293 43.238 1.051 1 T 1.579e+07 0.000e+00 a 0 0 0 0 0 >> 292 3.243 43.020 0.736 1 T 2.894e+06 0.000e+00 a 0 0 0 0 0 >> 293 3.322 43.049 0.735 1 T 2.930e+06 0.000e+00 a 0 0 0 0 0 >> 294 3.291 43.256 1.313 1 T 6.476e+06 0.000e+00 a 0 0 0 0 0 >> 296 3.700 66.852 1.042 1 T 9.585e+06 0.000e+00 a 0 0 0 0 0 >> 297 3.698 66.808 0.930 1 T 8.217e+06 0.000e+00 a 0 0 0 0 0 >> 298 3.705 66.880 2.134 1 T 3.635e+06 0.000e+00 a 0 0 0 0 0 >> 299 3.698 66.891 1.297 1 T 1.349e+06 0.000e+00 a 0 0 0 0 0 >> 302 3.708 66.904 1.597 1 T 1.070e+06 0.000e+00 a 0 0 0 0 0 >> 303 2.113 31.182 3.708 1 T 6.666e+06 0.000e+00 a 0 0 0 0 0 >> 306 2.120 31.178 1.044 1 T 2.339e+07 0.000e+00 a 0 0 0 0 0 >> 307 2.115 31.216 0.929 1 T 2.665e+07 0.000e+00 a 0 0 0 0 0 >> 308 1.032 22.515 2.120 1 T 5.440e+07 0.000e+00 a 0 0 0 0 0 >> 309 0.918 20.918 2.119 1 T 5.848e+07 0.000e+00 a 0 0 0 0 0 >> 310 0.918 20.888 3.707 1 T 3.219e+07 0.000e+00 a 0 0 0 0 0 >> 311 1.033 22.502 3.705 1 T 3.932e+07 0.000e+00 a 0 0 0 0 0 >> 316 0.931 23.078 5.779 1 T 6.554e+06 0.000e+00 a 0 0 0 0 0 >> 318 0.921 23.353 6.973 1 T 9.295e+06 0.000e+00 a 0 0 0 0 0 >> 320 0.923 23.314 7.140 1 T 7.495e+06 0.000e+00 a 0 0 0 0 0 >> 324 0.938 21.354 3.968 1 T 3.678e+07 0.000e+00 a 0 0 0 0 0 >> 327 4.025 66.953 1.230 1 T 6.256e+06 0.000e+00 a 0 0 0 0 0 >> 328 4.033 66.960 0.935 1 T 2.750e+06 0.000e+00 a 0 0 0 0 0 >> 330 4.026 66.972 4.286 1 T 3.697e+06 0.000e+00 a 0 0 0 0 0 >> 331 4.024 66.959 1.005 1 T 2.695e+06 0.000e+00 a 0 0 0 0 0 >> 333 4.280 68.967 1.233 1 T 8.647e+06 0.000e+00 a 0 0 0 0 0 >> 334 4.290 69.095 0.751 1 T 1.877e+06 0.000e+00 a 0 0 0 0 0 >> 335 4.278 68.942 0.928 1 T 2.896e+06 0.000e+00 a 0 0 0 0 0 >> 336 4.280 68.933 1.030 1 T 2.525e+06 0.000e+00 a 0 0 0 0 0 >> 338 4.278 68.998 1.770 1 T 1.367e+06 0.000e+00 a 0 0 0 0 0 >> 339 4.273 69.089 2.098 1 T 1.144e+06 0.000e+00 a 0 0 0 0 0 >> 341 4.277 69.106 2.815 1 T 9.394e+05 0.000e+00 a 0 0 0 0 0 >> 343 4.281 69.104 3.042 8 T 3.874e+05 0.000e+00 a 0 0 0 0 0 >>5343 4.281 69.104 3.042 8 T 3.874e+05 0.000e+00 a 0 0 0 0 0 >> 345 4.275 68.961 3.468 1 T 1.214e+06 0.000e+00 a 0 0 0 0 0 >> 347 4.277 68.980 4.031 1 T 3.906e+06 0.000e+00 a 0 0 0 0 0 >> 348 4.276 68.965 5.022 1 T 1.731e+06 0.000e+00 a 0 0 0 0 0 >> 349 4.279 69.118 7.339 1 T 1.739e+06 0.000e+00 a 0 0 0 0 0 >> 352 1.217 21.998 4.284 1 T 2.470e+07 0.000e+00 a 0 0 0 0 0 >> 353 1.215 22.020 4.023 1 T 2.487e+07 0.000e+00 a 0 0 0 0 0 >> 354 1.218 22.001 1.701 8 T 6.420e+06 0.000e+00 a 0 0 0 0 0 >>5354 1.218 22.001 1.701 8 T 6.420e+06 0.000e+00 a 0 0 0 0 0 >> 356 1.215 21.992 0.747 8 T 1.476e+07 0.000e+00 a 0 0 0 0 0 >>5356 1.215 21.992 0.747 8 T 1.476e+07 0.000e+00 a 0 0 0 0 0 >> 357 1.221 21.946 0.368 8 T 2.516e+06 0.000e+00 a 0 0 0 0 0 >>5357 1.221 21.946 0.368 8 T 2.516e+06 0.000e+00 a 0 0 0 0 0 >> 359 1.213 22.083 0.498 8 T 2.668e+06 0.000e+00 a 0 0 0 0 0 >>5359 1.213 22.083 0.498 8 T 2.668e+06 0.000e+00 a 0 0 0 0 0 >> 361 0.998 22.286 0.378 1 T 6.564e+06 0.000e+00 a 0 0 0 0 0 >> 362 2.118 41.618 0.371 1 T 1.350e+06 0.000e+00 a 0 0 0 0 0 >> 363 2.096 42.196 1.349 1 T 1.010e+06 0.000e+00 a 0 0 0 0 0 >> 364 1.350 42.479 0.926 1 T 2.464e+06 0.000e+00 a 0 0 0 0 0 >> 365 2.029 26.985 2.299 1 T 6.272e+06 0.000e+00 a 0 0 0 0 0 >> 369 2.033 27.090 4.369 1 T 3.603e+06 0.000e+00 a 0 0 0 0 0 >> 370 1.037 26.499 2.070 1 T 9.218e+06 0.000e+00 a 0 0 0 0 0 >> 371 1.037 26.563 0.363 1 T 6.622e+06 0.000e+00 a 0 0 0 0 0 >> 372 1.043 26.542 0.745 1 T 1.188e+07 0.000e+00 a 0 0 0 0 0 >> 373 0.930 23.314 2.059 1 T 4.906e+07 0.000e+00 a 0 0 0 0 0 >> 374 0.901 23.083 2.040 1 T 5.003e+07 0.000e+00 a 0 0 0 0 0 >> 380 0.989 26.020 3.871 8 T 6.000e+06 0.000e+00 a 0 0 0 0 0 >>5380 0.989 26.020 3.871 8 T 6.000e+06 0.000e+00 a 0 0 0 0 0 >> 382 3.946 64.420 2.223 1 T 7.606e+06 0.000e+00 a 0 0 0 0 0 >> 383 3.934 64.243 1.295 1 T 3.470e+06 0.000e+00 a 0 0 0 0 0 >> 384 4.553 69.121 1.289 1 T 3.458e+06 0.000e+00 a 0 0 0 0 0 >> 385 4.554 69.227 0.857 1 T 1.976e+06 0.000e+00 a 0 0 0 0 0 >> 386 4.557 69.184 1.820 1 T 1.485e+06 0.000e+00 a 0 0 0 0 0 >> 387 4.556 69.195 2.061 1 T 1.363e+06 0.000e+00 a 0 0 0 0 0 >> 388 4.559 69.187 3.947 1 T 1.471e+06 0.000e+00 a 0 0 0 0 0 >> 390 4.568 69.107 4.412 1 T 1.831e+06 0.000e+00 a 0 0 0 0 0 >> 391 1.282 21.545 4.557 1 T 1.362e+07 0.000e+00 a 0 0 0 0 0 >> 392 1.288 21.155 3.866 1 T 2.722e+07 0.000e+00 a 0 0 0 0 0 >> 393 1.288 21.269 4.014 1 T 1.856e+07 0.000e+00 a 0 0 0 0 0 >> 394 1.289 21.149 4.370 1 T 3.701e+07 0.000e+00 a 0 0 0 0 0 >> 395 1.286 21.454 3.517 1 T 6.422e+06 0.000e+00 a 0 0 0 0 0 >> 396 1.280 21.662 3.298 8 T 2.136e+06 0.000e+00 a 0 0 0 0 0 >>5396 1.280 21.662 3.298 8 T 2.136e+06 0.000e+00 a 0 0 0 0 0 >> 397 1.287 21.468 2.990 8 T 2.126e+06 0.000e+00 a 0 0 0 0 0 >>5397 1.287 21.468 2.990 8 T 2.126e+06 0.000e+00 a 0 0 0 0 0 >> 398 1.280 21.507 2.064 1 T 1.400e+07 0.000e+00 a 0 0 0 0 0 >> 400 1.282 21.425 1.579 1 T 1.829e+07 0.000e+00 a 0 0 0 0 0 >> 401 1.291 21.392 2.504 1 T 3.513e+06 0.000e+00 a 0 0 0 0 0 >> 402 1.277 21.571 0.736 1 T 1.636e+07 0.000e+00 a 0 0 0 0 0 >> 403 1.282 21.693 0.374 1 T 3.736e+06 0.000e+00 a 0 0 0 0 0 >> 406 4.450 60.926 4.101 1 T 6.990e+06 0.000e+00 a 0 0 0 0 0 >> 407 4.450 60.892 4.003 1 T 7.812e+06 0.000e+00 a 0 0 0 0 0 >> 414 4.446 60.829 2.973 8 T 1.072e+06 0.000e+00 a 0 0 0 0 0 >>5414 4.446 60.829 2.973 8 T 1.072e+06 0.000e+00 a 0 0 0 0 0 >> 415 4.451 60.961 1.818 8 T 1.200e+06 0.000e+00 a 0 0 0 0 0 >>5415 4.451 60.961 1.818 8 T 1.200e+06 0.000e+00 a 0 0 0 0 0 >> 416 4.454 60.970 1.695 8 T 1.307e+06 0.000e+00 a 0 0 0 0 0 >>5416 4.454 60.970 1.695 8 T 1.307e+06 0.000e+00 a 0 0 0 0 0 >> 417 4.447 61.021 1.461 8 T 1.210e+06 0.000e+00 a 0 0 0 0 0 >>5417 4.447 61.021 1.461 8 T 1.210e+06 0.000e+00 a 0 0 0 0 0 >> 419 4.095 63.880 4.005 1 T 3.688e+07 0.000e+00 a 0 0 0 0 0 >> 420 4.103 63.902 4.453 1 T 9.857e+06 0.000e+00 a 0 0 0 0 0 >> 421 4.107 63.955 2.988 8 T 6.880e+05 0.000e+00 a 0 0 0 0 0 >>5421 4.107 63.955 2.988 8 T 6.880e+05 0.000e+00 a 0 0 0 0 0 >> 423 4.095 63.902 1.228 1 T 1.940e+06 0.000e+00 a 0 0 0 0 0 >> 424 4.089 64.059 1.009 1 T 6.797e+06 0.000e+00 a 0 0 0 0 0 >> 426 4.362 64.129 0.959 1 T 1.870e+06 0.000e+00 a 0 0 0 0 0 >> 428 4.041 64.133 0.818 1 T 7.322e+06 0.000e+00 a 0 0 0 0 0 >> 430 4.039 64.161 1.789 1 T 3.914e+06 0.000e+00 a 0 0 0 0 0 >> 431 1.775 34.537 0.808 1 T 7.137e+06 0.000e+00 a 0 0 0 0 0 >> 432 1.770 34.540 1.016 1 T 6.103e+06 0.000e+00 a 0 0 0 0 0 >> 433 1.820 35.264 1.315 1 T 2.152e+06 0.000e+00 a 0 0 0 0 0 >> 435 1.688 35.256 1.295 1 T 2.203e+06 0.000e+00 a 0 0 0 0 0 >> 436 1.774 34.509 4.035 1 T 2.519e+06 0.000e+00 a 0 0 0 0 0 >> 437 0.848 21.960 3.941 1 T 1.646e+07 0.000e+00 a 0 0 0 0 0 >> 438 0.806 21.750 3.882 1 T 3.669e+07 0.000e+00 a 0 0 0 0 0 >> 439 0.804 22.009 4.042 1 T 2.316e+07 0.000e+00 a 0 0 0 0 0 >> 440 1.004 22.349 4.043 1 T 4.047e+07 0.000e+00 a 0 0 0 0 0 >> 441 0.801 22.065 6.703 1 T 5.662e+06 0.000e+00 a 0 0 0 0 0 >> 442 0.805 21.897 7.031 1 T 4.823e+06 0.000e+00 a 0 0 0 0 0 >> 443 0.800 21.790 3.016 1 T 5.716e+06 0.000e+00 a 0 0 0 0 0 >> 444 0.805 21.759 1.871 1 T 5.220e+07 0.000e+00 a 0 0 0 0 0 >> 445 1.002 22.334 1.781 1 T 3.088e+07 0.000e+00 a 0 0 0 0 0 >> 446 0.805 22.036 1.007 1 T 6.452e+07 0.000e+00 a 0 0 0 0 0 >> 447 1.004 22.300 0.815 1 T 7.828e+07 0.000e+00 a 0 0 0 0 0 >> 448 0.807 22.020 1.798 1 T 3.362e+07 0.000e+00 a 0 0 0 0 0 >> 449 0.805 21.756 1.366 1 T 2.403e+07 0.000e+00 a 0 0 0 0 0 >> 450 3.880 62.777 0.784 1 T 9.818e+06 0.000e+00 a 0 0 0 0 0 >> 453 1.701 38.872 0.779 1 T 2.103e+06 0.000e+00 a 0 0 0 0 0 >> 455 1.696 38.887 0.540 1 T 1.390e+06 0.000e+00 a 0 0 0 0 0 >> 456 1.700 38.841 1.153 1 T 1.104e+06 0.000e+00 a 0 0 0 0 0 >> 457 0.259 28.488 0.768 1 T 1.624e+06 0.000e+00 a 0 0 0 0 0 >> 458 0.746 27.795 0.223 1 T 1.691e+06 0.000e+00 a 0 0 0 0 0 >> 459 0.747 27.730 3.534 1 T 4.386e+06 0.000e+00 a 0 0 0 0 0 >> 460 0.751 27.710 3.944 1 T 4.073e+06 0.000e+00 a 0 0 0 0 0 >> 461 0.754 27.763 4.152 1 T 4.178e+06 0.000e+00 a 0 0 0 0 0 >> 462 0.252 28.474 0.540 1 T 9.699e+05 0.000e+00 a 0 0 0 0 0 >> 463 0.531 16.329 0.775 1 T 1.748e+07 0.000e+00 a 0 0 0 0 0 >> 464 0.761 14.975 0.529 1 T 1.734e+07 0.000e+00 a 0 0 0 0 0 >> 465 0.759 15.034 0.379 1 T 8.886e+06 0.000e+00 a 0 0 0 0 0 >> 467 0.531 16.327 0.882 1 T 1.583e+07 0.000e+00 a 0 0 0 0 0 >> 468 0.529 16.293 1.033 1 T 1.163e+07 0.000e+00 a 0 0 0 0 0 >> 469 0.529 16.305 1.154 1 T 9.963e+06 0.000e+00 a 0 0 0 0 0 >> 470 0.527 16.330 1.399 1 T 5.891e+06 0.000e+00 a 0 0 0 0 0 >> 471 0.533 16.289 1.707 1 T 6.811e+06 0.000e+00 a 0 0 0 0 0 >> 473 0.533 16.328 3.031 1 T 5.076e+06 0.000e+00 a 0 0 0 0 0 >> 474 0.531 16.323 3.956 8 T 2.776e+06 0.000e+00 a 0 0 0 0 0 >>5474 0.531 16.323 3.956 8 T 2.776e+06 0.000e+00 a 0 0 0 0 0 >> 475 0.761 14.959 3.035 8 T 1.914e+06 0.000e+00 a 0 0 0 0 0 >>5475 0.761 14.959 3.035 8 T 1.914e+06 0.000e+00 a 0 0 0 0 0 >> 476 0.748 14.905 3.913 1 T 4.982e+06 0.000e+00 a 0 0 0 0 0 >> 477 0.759 14.975 2.071 1 T 5.378e+06 0.000e+00 a 0 0 0 0 0 >> 478 0.752 14.928 1.740 1 T 7.433e+06 0.000e+00 a 0 0 0 0 0 >> 479 0.759 15.000 1.384 1 T 8.385e+06 0.000e+00 a 0 0 0 0 0 >> 480 0.522 16.306 3.472 1 T 1.360e+06 0.000e+00 a 0 0 0 0 0 >> 481 0.531 16.349 2.170 1 T 3.209e+06 0.000e+00 a 0 0 0 0 0 >> 482 0.528 16.436 4.929 1 T 1.141e+06 0.000e+00 a 0 0 0 0 0 >> 483 0.529 16.391 4.228 1 T 2.077e+06 0.000e+00 a 0 0 0 0 0 >> 485 0.533 16.299 6.709 8 T 1.738e+06 0.000e+00 a 0 0 0 0 0 >>5485 0.533 16.299 6.709 8 T 1.738e+06 0.000e+00 a 0 0 0 0 0 >> 486 0.529 16.324 6.979 8 T 1.761e+06 0.000e+00 a 0 0 0 0 0 >>5486 0.529 16.324 6.979 8 T 1.761e+06 0.000e+00 a 0 0 0 0 0 >> 489 1.030 14.754 6.958 8 T 3.469e+06 0.000e+00 a 0 0 0 0 0 >>5489 1.030 14.754 6.958 8 T 3.469e+06 0.000e+00 a 0 0 0 0 0 >> 490 1.045 14.734 6.705 8 T 1.074e+06 0.000e+00 a 0 0 0 0 0 >>5490 1.045 14.734 6.705 8 T 1.074e+06 0.000e+00 a 0 0 0 0 0 >> 492 1.027 14.803 4.985 1 T 6.490e+05 0.000e+00 a 0 0 0 0 0 >> 493 1.026 14.752 4.401 1 T 3.011e+06 0.000e+00 a 0 0 0 0 0 >> 494 0.535 16.318 4.395 1 T 1.410e+06 0.000e+00 a 0 0 0 0 0 >> 496 1.028 14.740 3.971 1 T 5.236e+06 0.000e+00 a 0 0 0 0 0 >> 499 1.028 14.776 2.224 1 T 5.190e+06 0.000e+00 a 0 0 0 0 0 >> 500 1.030 14.768 1.465 1 T 6.759e+06 0.000e+00 a 0 0 0 0 0 >> 501 1.030 14.739 0.536 1 T 9.231e+06 0.000e+00 a 0 0 0 0 0 >> 502 1.024 14.736 0.389 8 T 1.826e+06 0.000e+00 a 0 0 0 0 0 >>5502 1.024 14.736 0.389 8 T 1.826e+06 0.000e+00 a 0 0 0 0 0 >> 503 0.754 14.932 0.900 1 T 2.636e+07 0.000e+00 a 0 0 0 0 0 >> 505 0.755 15.032 3.448 1 T 2.303e+06 0.000e+00 a 0 0 0 0 0 >> 506 0.758 15.018 6.717 8 T 1.068e+06 0.000e+00 a 0 0 0 0 0 >>5506 0.758 15.018 6.717 8 T 1.068e+06 0.000e+00 a 0 0 0 0 0 >> 508 0.759 14.938 6.974 1 T 8.404e+06 0.000e+00 a 0 0 0 0 0 >> 509 0.699 14.803 8.389 1 T 2.024e+06 0.000e+00 a 0 0 0 0 0 >> 510 0.759 17.363 8.417 1 T 3.308e+06 0.000e+00 a 0 0 0 0 0 >> 514 4.977 49.556 1.168 1 T 8.787e+05 0.000e+00 a 0 0 0 0 0 >> 515 4.954 49.484 0.889 1 T 7.614e+05 0.000e+00 a 0 0 0 0 0 >> 518 4.966 49.593 2.720 1 T 8.007e+05 0.000e+00 a 0 0 0 0 0 >> 519 4.972 49.349 3.005 1 T 7.691e+05 0.000e+00 a 0 0 0 0 0 >> 524 4.978 49.257 3.974 1 T 7.216e+05 0.000e+00 a 0 0 0 0 0 >> 527 2.963 41.916 0.936 8 T 2.080e+07 0.000e+00 a 0 0 0 0 0 >>5527 2.963 41.916 0.936 8 T 2.080e+07 0.000e+00 a 0 0 0 0 0 >> 528 3.034 41.967 0.942 1 T 3.673e+07 0.000e+00 a 0 0 0 0 0 >> 529 3.036 41.811 0.745 1 T 6.594e+06 0.000e+00 a 0 0 0 0 0 >> 530 3.004 41.994 0.550 1 T 5.661e+06 0.000e+00 a 0 0 0 0 0 >> 534 2.162 27.378 1.804 1 T 3.975e+06 0.000e+00 a 0 0 0 0 0 >> 535 2.165 28.255 4.030 1 T 1.154e+07 0.000e+00 a 0 0 0 0 0 >> 536 1.808 27.590 4.209 1 T 1.141e+07 0.000e+00 a 0 0 0 0 0 >> 540 2.169 27.241 1.132 1 T 2.574e+06 0.000e+00 a 0 0 0 0 0 >> 543 2.166 27.334 0.895 1 T 3.856e+06 0.000e+00 a 0 0 0 0 0 >> 546 4.192 50.438 4.980 1 T 6.545e+05 0.000e+00 a 0 0 0 0 0 >> 547 4.217 61.069 3.942 1 T 8.489e+06 0.000e+00 a 0 0 0 0 0 >> 548 4.220 61.238 2.010 1 T 3.485e+06 0.000e+00 a 0 0 0 0 0 >> 549 4.215 61.275 1.588 1 T 2.705e+06 0.000e+00 a 0 0 0 0 0 >> 550 4.209 61.109 1.822 1 T 2.078e+06 0.000e+00 a 0 0 0 0 0 >> 551 4.223 61.143 1.060 1 T 5.955e+06 0.000e+00 a 0 0 0 0 0 >> 552 4.224 61.186 0.928 1 T 7.060e+06 0.000e+00 a 0 0 0 0 0 >> 553 4.212 61.059 0.777 8 T 2.118e+06 0.000e+00 a 0 0 0 0 0 >>5553 4.212 61.059 0.777 8 T 2.118e+06 0.000e+00 a 0 0 0 0 0 >> 555 4.230 61.125 1.317 1 T 2.072e+06 0.000e+00 a 0 0 0 0 0 >> 556 4.214 60.922 0.560 1 T 9.046e+05 0.000e+00 a 0 0 0 0 0 >> 557 4.211 61.107 3.315 1 T 1.429e+06 0.000e+00 a 0 0 0 0 0 >> 559 3.916 62.332 4.328 1 T 1.228e+07 0.000e+00 a 0 0 0 0 0 >> 560 3.959 62.346 4.329 1 T 1.350e+07 0.000e+00 a 0 0 0 0 0 >> 561 3.971 62.749 1.131 1 T 1.754e+06 0.000e+00 a 0 0 0 0 0 >> 563 3.990 63.963 0.976 1 T 1.808e+07 0.000e+00 a 0 0 0 0 0 >> 564 4.198 62.348 0.547 1 T 4.197e+06 0.000e+00 a 0 0 0 0 0 >> 566 3.972 56.845 3.261 1 T 2.171e+06 0.000e+00 a 0 0 0 0 0 >> 567 3.968 56.912 3.139 1 T 2.212e+06 0.000e+00 a 0 0 0 0 0 >> 569 3.980 56.958 1.867 1 T 4.823e+06 0.000e+00 a 0 0 0 0 0 >> 570 3.984 57.467 1.534 1 T 3.152e+06 0.000e+00 a 0 0 0 0 0 >> 572 3.953 57.428 0.426 1 T 2.240e+06 0.000e+00 a 0 0 0 0 0 >> 573 1.837 31.110 1.402 1 T 2.808e+06 0.000e+00 a 0 0 0 0 0 >> 574 1.893 31.562 1.392 1 T 3.819e+06 0.000e+00 a 0 0 0 0 0 >> 575 1.847 31.452 3.973 1 T 3.565e+06 0.000e+00 a 0 0 0 0 0 >> 576 1.388 26.859 1.525 1 T 1.790e+07 0.000e+00 a 0 0 0 0 0 >> 577 1.525 26.906 1.406 1 T 2.233e+07 0.000e+00 a 0 0 0 0 0 >> 578 1.382 26.691 6.711 8 T 9.850e+05 0.000e+00 a 0 0 0 0 0 >>5578 1.382 26.691 6.711 8 T 9.850e+05 0.000e+00 a 0 0 0 0 0 >> 579 1.518 26.879 6.695 8 T 1.010e+06 0.000e+00 a 0 0 0 0 0 >>5579 1.518 26.879 6.695 8 T 1.010e+06 0.000e+00 a 0 0 0 0 0 >> 580 1.395 26.873 7.182 8 T 7.915e+05 0.000e+00 a 0 0 0 0 0 >>5580 1.395 26.873 7.182 8 T 7.915e+05 0.000e+00 a 0 0 0 0 0 >> 581 1.518 26.917 7.191 8 T 7.665e+05 0.000e+00 a 0 0 0 0 0 >>5581 1.518 26.917 7.191 8 T 7.665e+05 0.000e+00 a 0 0 0 0 0 >> 582 1.515 27.114 4.401 1 T 6.567e+06 0.000e+00 a 0 0 0 0 0 >> 583 1.517 27.167 4.691 1 T 2.581e+06 0.000e+00 a 0 0 0 0 0 >> 584 1.511 27.186 4.204 1 T 7.043e+06 0.000e+00 a 0 0 0 0 0 >> 585 1.390 26.839 3.972 1 T 5.667e+06 0.000e+00 a 0 0 0 0 0 >> 586 1.513 26.897 3.981 1 T 7.232e+06 0.000e+00 a 0 0 0 0 0 >> 587 1.387 26.831 3.247 1 T 5.848e+06 0.000e+00 a 0 0 0 0 0 >> 588 1.390 26.842 3.128 1 T 6.391e+06 0.000e+00 a 0 0 0 0 0 >> 589 1.512 27.086 3.121 1 T 1.814e+07 0.000e+00 a 0 0 0 0 0 >> 591 1.508 27.138 1.748 1 T 2.742e+07 0.000e+00 a 0 0 0 0 0 >> 593 1.522 26.989 1.889 1 T 1.989e+07 0.000e+00 a 0 0 0 0 0 >> 594 1.516 27.197 1.079 1 T 1.099e+07 0.000e+00 a 0 0 0 0 0 >> 595 1.531 26.737 0.375 1 T 3.281e+06 0.000e+00 a 0 0 0 0 0 >> 596 1.535 26.712 0.498 1 T 3.567e+06 0.000e+00 a 0 0 0 0 0 >> 597 3.240 42.900 3.812 1 T 3.317e+06 0.000e+00 a 0 0 0 0 0 >> 599 3.245 42.670 6.711 8 T 6.795e+05 0.000e+00 a 0 0 0 0 0 >>5599 3.245 42.670 6.711 8 T 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2.173e+06 0.000e+00 a 0 0 0 0 0 >>1926 0.994 29.720 1.531 1 T 1.375e+06 0.000e+00 a 0 0 0 0 0 >>1928 0.984 29.888 4.023 1 T 1.889e+06 0.000e+00 a 0 0 0 0 0 >>1929 1.034 19.655 0.114 1 T 8.066e+06 0.000e+00 a 0 0 0 0 0 >>1930 1.033 19.697 0.557 1 T 7.357e+06 0.000e+00 a 0 0 0 0 0 >>1932 1.025 19.708 1.356 1 T 5.035e+06 0.000e+00 a 0 0 0 0 0 >>1933 1.031 19.770 1.542 1 T 7.218e+06 0.000e+00 a 0 0 0 0 0 >>1934 1.026 19.696 1.848 1 T 5.262e+06 0.000e+00 a 0 0 0 0 0 >>1935 1.027 19.676 3.002 1 T 2.654e+06 0.000e+00 a 0 0 0 0 0 >>1936 1.031 19.751 3.457 1 T 3.829e+06 0.000e+00 a 0 0 0 0 0 >>1938 1.031 19.682 3.989 1 T 7.936e+06 0.000e+00 a 0 0 0 0 0 >>1939 1.032 19.644 7.137 1 T 3.854e+06 0.000e+00 a 0 0 0 0 0 >>1940 1.032 19.593 6.526 8 T 1.024e+06 0.000e+00 a 0 0 0 0 0 >>6940 1.032 19.593 6.526 8 T 1.024e+06 0.000e+00 a 0 0 0 0 0 >>1942 1.029 19.744 1.989 1 T 4.122e+06 0.000e+00 a 0 0 0 0 0 >>1943 1.042 19.621 2.287 1 T 3.082e+06 0.000e+00 a 0 0 0 0 0 >>1945 0.108 13.717 0.553 1 T 5.588e+06 0.000e+00 a 0 0 0 0 0 >>1946 0.106 13.740 0.823 1 T 2.200e+07 0.000e+00 a 0 0 0 0 0 >>1947 0.108 13.737 1.028 1 T 1.710e+07 0.000e+00 a 0 0 0 0 0 >>1948 0.107 13.718 1.542 1 T 8.532e+06 0.000e+00 a 0 0 0 0 0 >>1949 0.108 13.740 2.033 1 T 1.062e+07 0.000e+00 a 0 0 0 0 0 >>1950 0.106 13.694 2.382 1 T 8.381e+06 0.000e+00 a 0 0 0 0 0 >>1951 0.107 13.716 4.022 1 T 9.417e+06 0.000e+00 a 0 0 0 0 0 >>1952 1.026 19.881 6.827 8 T 7.295e+05 0.000e+00 a 0 0 0 0 0 >>6952 1.026 19.881 6.827 8 T 7.295e+05 0.000e+00 a 0 0 0 0 0 >>1953 0.103 13.753 3.742 8 T 2.212e+06 0.000e+00 a 0 0 0 0 0 >>6953 0.103 13.753 3.742 8 T 2.212e+06 0.000e+00 a 0 0 0 0 0 >>1954 0.097 13.755 3.473 1 T 2.304e+06 0.000e+00 a 0 0 0 0 0 >>1955 0.106 13.624 3.053 1 T 1.459e+06 0.000e+00 a 0 0 0 0 0 >>1956 0.108 13.741 1.746 1 T 4.518e+06 0.000e+00 a 0 0 0 0 0 >>1959 3.476 65.095 0.887 1 T 5.447e+06 0.000e+00 a 0 0 0 0 0 >>1960 1.834 37.364 0.888 1 T 6.683e+06 0.000e+00 a 0 0 0 0 0 >>1961 1.825 37.335 3.965 8 T 6.745e+05 0.000e+00 a 0 0 0 0 0 >>6961 1.825 37.335 3.965 8 T 6.745e+05 0.000e+00 a 0 0 0 0 0 >>1962 1.825 37.297 3.489 1 T 9.815e+05 0.000e+00 a 0 0 0 0 0 >>1963 1.813 29.864 0.885 1 T 1.074e+07 0.000e+00 a 0 0 0 0 0 >>1964 1.813 29.308 1.602 1 T 3.633e+07 0.000e+00 a 0 0 0 0 0 >>1965 0.881 17.383 1.838 1 T 2.317e+07 0.000e+00 a 0 0 0 0 0 >>1966 0.881 17.381 2.284 1 T 1.027e+07 0.000e+00 a 0 0 0 0 0 >>1969 0.880 17.348 3.473 1 T 1.090e+07 0.000e+00 a 0 0 0 0 0 >>1970 0.880 17.402 3.928 1 T 9.456e+06 0.000e+00 a 0 0 0 0 0 >>1971 0.884 17.376 4.130 1 T 5.675e+06 0.000e+00 a 0 0 0 0 0 >>1972 0.882 17.404 4.413 1 T 6.749e+06 0.000e+00 a 0 0 0 0 0 >>1973 0.879 12.852 1.839 1 T 2.310e+07 0.000e+00 a 0 0 0 0 0 >>1976 0.880 12.728 1.304 1 T 6.741e+06 0.000e+00 a 0 0 0 0 0 >>1977 0.875 12.856 0.573 1 T 6.759e+06 0.000e+00 a 0 0 0 0 0 >>1978 0.881 12.825 1.978 1 T 1.079e+07 0.000e+00 a 0 0 0 0 0 >>1979 0.880 12.859 2.274 1 T 1.140e+07 0.000e+00 a 0 0 0 0 0 >>1980 0.879 12.812 3.467 1 T 9.412e+06 0.000e+00 a 0 0 0 0 0 >>1981 0.879 12.827 3.943 8 T 6.705e+06 0.000e+00 a 0 0 0 0 0 >>6981 0.879 12.827 3.943 8 T 6.705e+06 0.000e+00 a 0 0 0 0 0 >>1982 0.882 12.888 2.988 1 T 3.611e+06 0.000e+00 a 0 0 0 0 0 >>1983 0.877 17.409 2.875 1 T 2.264e+06 0.000e+00 a 0 0 0 0 0 >>1984 0.885 17.283 2.733 1 T 2.301e+06 0.000e+00 a 0 0 0 0 0 >>1986 0.877 12.827 7.136 1 T 3.629e+06 0.000e+00 a 0 0 0 0 0 >>1987 4.396 57.376 2.728 1 T 7.324e+06 0.000e+00 a 0 0 0 0 0 >>1990 2.730 41.706 0.898 1 T 2.734e+06 0.000e+00 a 0 0 0 0 0 >>1991 4.317 54.420 1.567 1 T 9.256e+06 0.000e+00 a 0 0 0 0 0 >>1993 4.306 54.382 3.044 1 T 1.163e+06 0.000e+00 a 0 0 0 0 0 >>1994 1.560 20.661 4.327 1 T 2.611e+07 0.000e+00 a 0 0 0 0 0 >>1995 1.561 20.591 4.795 1 T 2.428e+06 0.000e+00 a 0 0 0 0 0 >>1996 1.560 20.657 4.115 1 T 1.600e+07 0.000e+00 a 0 0 0 0 0 >>1997 1.561 20.636 3.050 1 T 8.516e+06 0.000e+00 a 0 0 0 0 0 >>1998 1.561 20.693 2.755 1 T 4.363e+06 0.000e+00 a 0 0 0 0 0 >>1999 1.556 20.625 2.595 1 T 3.227e+06 0.000e+00 a 0 0 0 0 0 >>2000 1.560 20.648 2.218 8 T 3.240e+06 0.000e+00 a 0 0 0 0 0 >>7000 1.560 20.648 2.218 8 T 3.240e+06 0.000e+00 a 0 0 0 0 0 >>2002 1.561 20.693 1.365 8 T 6.140e+06 0.000e+00 a 0 0 0 0 0 >>7002 1.561 20.693 1.365 8 T 6.140e+06 0.000e+00 a 0 0 0 0 0 >>2003 1.559 20.710 1.016 1 T 6.415e+06 0.000e+00 a 0 0 0 0 0 >>2004 1.561 20.639 0.887 1 T 7.508e+06 0.000e+00 a 0 0 0 0 0 >>2006 1.557 20.651 0.111 1 T 2.262e+06 0.000e+00 a 0 0 0 0 0 >>2008 4.799 58.628 3.910 1 T 8.045e+06 0.000e+00 a 0 0 0 0 0 >>2009 4.794 58.517 1.566 1 T 1.011e+06 0.000e+00 a 0 0 0 0 0 >>2010 4.808 58.557 3.042 1 T 8.164e+05 0.000e+00 a 0 0 0 0 0 >>2013 3.921 66.196 0.114 1 T 1.610e+06 0.000e+00 a 0 0 0 0 0 >>2014 3.890 66.069 0.119 1 T 1.684e+06 0.000e+00 a 0 0 0 0 0 >>2015 3.914 66.326 3.055 1 T 9.133e+05 0.000e+00 a 0 0 0 0 0 >>2018 3.917 66.148 1.567 1 T 2.545e+06 0.000e+00 a 0 0 0 0 0 >>2020 4.135 44.814 0.893 1 T 1.311e+06 0.000e+00 a 0 0 0 0 0 >>2021 4.469 44.812 0.885 1 T 1.106e+06 0.000e+00 a 0 0 0 0 0 >>2022 4.468 44.824 4.129 1 T 2.543e+06 0.000e+00 a 0 0 0 0 0 >>2023 4.130 44.778 4.489 1 T 2.648e+06 0.000e+00 a 0 0 0 0 0 >>2024 4.323 60.977 3.944 1 T 8.682e+06 0.000e+00 a 0 0 0 0 0 >>2025 4.319 61.052 1.093 1 T 3.056e+06 0.000e+00 a 0 0 0 0 0 >>2026 4.327 61.175 0.903 1 T 2.412e+06 0.000e+00 a 0 0 0 0 0 >>2033 3.918 62.089 1.123 1 T 1.730e+06 0.000e+00 a 0 0 0 0 0 >>2034 0.544 21.562 0.815 1 T 2.190e+07 0.000e+00 a 0 0 0 0 0 >>2035 0.539 21.527 0.120 1 T 3.508e+06 0.000e+00 a 0 0 0 0 0 >>2036 0.788 26.561 3.743 8 T 4.318e+06 0.000e+00 a 0 0 0 0 0 >>7036 0.788 26.561 3.743 8 T 4.318e+06 0.000e+00 a 0 0 0 0 0 >>2037 0.544 21.522 4.017 1 T 6.329e+06 0.000e+00 a 0 0 0 0 0 >>2039 0.819 27.038 0.374 8 T 2.447e+06 0.000e+00 a 0 0 0 0 0 >>7039 0.819 27.038 0.374 8 T 2.447e+06 0.000e+00 a 0 0 0 0 0 >>2041 4.146 68.231 3.522 1 T 2.055e+06 0.000e+00 a 0 0 0 0 0 >>2042 3.516 67.617 4.147 1 T 1.817e+06 0.000e+00 a 0 0 0 0 0 >>2043 4.156 68.244 3.946 1 T 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7.266e+06 0.000e+00 a 0 0 0 0 0 >>2473 2.237 37.564 3.902 1 T 7.414e+06 0.000e+00 a 0 0 0 0 0 >>2474 3.887 59.750 1.090 1 T 3.000e+06 0.000e+00 a 0 0 0 0 0 >>2479 3.933 60.686 7.192 8 T 6.900e+05 0.000e+00 a 0 0 0 0 0 >>7479 3.933 60.686 7.192 8 T 6.900e+05 0.000e+00 a 0 0 0 0 0 >>2480 3.935 60.523 6.835 8 T 5.610e+05 0.000e+00 a 0 0 0 0 0 >>7480 3.935 60.523 6.835 8 T 5.610e+05 0.000e+00 a 0 0 0 0 0 >>2481 2.386 29.790 3.940 1 T 1.485e+06 0.000e+00 a 0 0 0 0 0 >>2482 2.412 30.070 2.569 1 T 1.975e+06 0.000e+00 a 0 0 0 0 0 >>2483 2.583 37.830 0.999 1 T 1.512e+06 0.000e+00 a 0 0 0 0 0 >>2485 2.367 37.655 2.594 1 T 3.547e+06 0.000e+00 a 0 0 0 0 0 >>2486 2.589 37.723 2.375 1 T 5.711e+06 0.000e+00 a 0 0 0 0 0 >>2487 2.590 37.698 3.950 1 T 2.314e+06 0.000e+00 a 0 0 0 0 0 >>2488 2.363 37.359 3.944 1 T 3.000e+06 0.000e+00 a 0 0 0 0 0 >>2489 2.373 37.680 8.256 1 T 9.101e+05 0.000e+00 a 0 0 0 0 0 >>2490 2.588 37.702 8.262 1 T 1.453e+06 0.000e+00 a 0 0 0 0 0 >>2491 2.575 37.801 7.139 1 T 9.785e+05 0.000e+00 a 0 0 0 0 0 >>2492 2.370 37.692 7.141 1 T 1.266e+06 0.000e+00 a 0 0 0 0 0 >>2495 0.852 24.030 6.827 1 T 6.604e+06 0.000e+00 a 0 0 0 0 0 >>2497 3.948 58.826 7.138 1 T 1.602e+06 0.000e+00 a 0 0 0 0 0 >>2498 0.548 21.575 7.138 1 T 2.500e+06 0.000e+00 a 0 0 0 0 0 >>2501 0.543 21.464 6.516 1 T 1.733e+06 0.000e+00 a 0 0 0 0 0 >>2502 3.986 57.503 0.181 8 T 7.625e+05 0.000e+00 a 0 0 0 0 0 >>7502 3.986 57.503 0.181 8 T 7.625e+05 0.000e+00 a 0 0 0 0 0 >>2506 2.299 37.620 3.474 1 T 1.764e+06 0.000e+00 a 0 0 0 0 0 >>2509 5.747 131.893 6.396 8 T 4.512e+05 0.000e+00 a 0 0 0 0 0 >>7509 5.747 131.893 6.396 8 T 4.512e+05 0.000e+00 a 0 0 0 0 0 >>2512 3.202 50.728 1.874 1 T 7.646e+05 0.000e+00 a 0 0 0 0 0 >>2513 3.211 50.541 4.026 1 T 9.941e+05 0.000e+00 a 0 0 0 0 0 >>2514 3.014 61.382 1.712 8 T 7.200e+05 0.000e+00 a 0 0 0 0 0 >>7514 3.014 61.382 1.712 8 T 7.200e+05 0.000e+00 a 0 0 0 0 0 >>2515 3.003 61.316 2.061 1 T 1.076e+06 0.000e+00 a 0 0 0 0 0 >>2516 2.968 35.895 3.915 1 T 1.003e+06 0.000e+00 a 0 0 0 0 0 >>2517 2.992 35.833 7.140 1 T 6.959e+05 0.000e+00 a 0 0 0 0 0 >>2518 3.403 35.773 7.170 1 T 7.195e+05 0.000e+00 a 0 0 0 0 0 >>2520 2.850 41.780 0.888 1 T 3.713e+06 0.000e+00 a 0 0 0 0 0 >>2521 2.237 37.898 3.472 1 T 1.454e+06 0.000e+00 a 0 0 0 0 0 >>2524 2.840 42.008 1.557 1 T 3.243e+07 0.000e+00 a 0 0 0 0 0 >>2525 2.731 41.805 1.559 1 T 3.056e+06 0.000e+00 a 0 0 0 0 0 >>2526 2.839 42.010 1.450 1 T 1.305e+07 0.000e+00 a 0 0 0 0 0 >>2527 2.843 42.012 1.251 1 T 1.103e+07 0.000e+00 a 0 0 0 0 0 >>2528 2.379 35.711 4.483 1 T 4.291e+06 0.000e+00 a 0 0 0 0 0 >>2529 1.590 41.665 4.164 1 T 2.040e+06 0.000e+00 a 0 0 0 0 0 >>2530 2.817 35.397 1.085 1 T 1.414e+06 0.000e+00 a 0 0 0 0 0 >>2531 2.815 35.331 2.345 1 T 2.261e+06 0.000e+00 a 0 0 0 0 0 >>2532 2.800 35.352 3.890 1 T 1.078e+06 0.000e+00 a 0 0 0 0 0 >>2534 2.796 35.261 1.920 1 T 1.286e+06 0.000e+00 a 0 0 0 0 0 >>2535 2.810 35.370 0.907 1 T 1.001e+06 0.000e+00 a 0 0 0 0 0 >>2543 3.059 42.975 4.245 8 T 3.281e+06 0.000e+00 a 0 0 0 0 0 >>7543 3.059 42.975 4.245 8 T 3.281e+06 0.000e+00 a 0 0 0 0 0 >>2548 1.720 42.047 2.812 8 T 1.010e+06 0.000e+00 a 0 0 0 0 0 >>7548 1.720 42.047 2.812 8 T 1.010e+06 0.000e+00 a 0 0 0 0 0 >>2552 0.906 24.280 3.033 1 T 1.094e+07 0.000e+00 a 0 0 0 0 0 >>2564 0.107 13.659 7.136 8 T 7.475e+05 0.000e+00 a 0 0 0 0 0 >>7564 0.107 13.659 7.136 8 T 7.475e+05 0.000e+00 a 0 0 0 0 0 >>2569 1.823 28.762 1.088 9 T 6.035e+06 0.000e+00 a 0 0 0 0 0 >>7569 1.823 28.762 1.088 9 T 6.035e+06 0.000e+00 a 0 0 0 0 0 >>2573 5.102 56.283 7.043 8 T 3.719e+05 0.000e+00 a 0 0 0 0 0 >>7573 5.102 56.283 7.043 8 T 3.719e+05 0.000e+00 a 0 0 0 0 0 >>2574 5.087 56.238 6.743 8 T 2.349e+05 0.000e+00 a 0 0 0 0 0 >>7574 5.087 56.238 6.743 8 T 2.349e+05 0.000e+00 a 0 0 0 0 0 >>2579 2.758 28.432 2.218 8 T 5.125e+05 0.000e+00 a 0 0 0 0 0 >>7579 2.758 28.432 2.218 8 T 5.125e+05 0.000e+00 a 0 0 0 0 0 >>2580 2.221 18.269 2.832 8 T 4.948e+06 0.000e+00 a 0 0 0 0 0 >>7580 2.221 18.269 2.832 8 T 4.948e+06 0.000e+00 a 0 0 0 0 0 >>2586 0.748 24.244 3.511 1 T 3.647e+06 0.000e+00 a 0 0 0 0 0 >>2587 2.125 18.542 3.443 8 T 2.576e+06 0.000e+00 a 0 0 0 0 0 >>7587 2.125 18.542 3.443 8 T 2.576e+06 0.000e+00 a 0 0 0 0 0 >>2595 5.740 131.864 0.928 8 T 4.814e+05 0.000e+00 a 0 0 0 0 0 >>7595 5.740 131.864 0.928 8 T 4.814e+05 0.000e+00 a 0 0 0 0 0 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 H-aliphatic 2 aliased 13.9505 ppm . . . 4.7 . . 30543 2 >> 2 . . C 13 C-aliphatic 1 aliased 40.5 ppm . . . 25.75 . . 30543 2 >> 3 . . H 1 H . aliased 10.0 ppm . . . 4.7 . . 30543 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 C C-aliphatic 3 H H stop_ _Sample_label $sample_2 _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 30543 >> _Spectral_peak_list.ID 3 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $sample_2 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 16 >> _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 >># FORMAT xeasy3D >># INAME 1 HC >># INAME 2 C >># INAME 3 H >># SPECTRUM C13NOESY HC C H >> 10 2.123 18.578 7.154 9 T 1.145e+07 0.000e+00 a 0 0 0 0 0 >> 12 2.122 18.671 6.749 9 T 5.483e+06 0.000e+00 a 0 0 0 0 0 >> 16 2.118 18.503 3.951 9 T 5.130e+06 0.000e+00 a 0 0 0 0 0 >>5016 2.118 18.503 3.951 9 T 5.130e+06 0.000e+00 a 0 0 0 0 0 >> 19 2.118 18.537 0.990 9 T 3.608e+06 0.000e+00 a 0 0 0 0 0 >>5019 2.118 18.537 0.990 9 T 3.608e+06 0.000e+00 a 0 0 0 0 0 >> 20 2.117 18.608 1.143 9 T 2.958e+06 0.000e+00 a 0 0 0 0 0 >>5020 2.117 18.608 1.143 9 T 2.958e+06 0.000e+00 a 0 0 0 0 0 >> 21 2.119 18.556 0.774 9 T 1.242e+07 0.000e+00 a 0 0 0 0 0 >> 22 2.121 18.624 0.648 9 T 1.063e+07 0.000e+00 a 0 0 0 0 0 >> 23 2.123 18.562 0.439 9 T 1.567e+07 0.000e+00 a 0 0 0 0 0 >> 24 2.120 18.562 0.203 9 T 7.370e+06 0.000e+00 a 0 0 0 0 0 >> 33 0.906 24.399 2.047 9 T 1.422e+07 0.000e+00 a 0 0 0 0 0 >> 35 0.882 22.840 1.310 9 T 5.765e+06 0.000e+00 a 0 0 0 0 0 >>5035 0.882 22.840 1.310 9 T 5.765e+06 0.000e+00 a 0 0 0 0 0 >> 36 0.880 22.998 0.967 9 T 6.067e+07 0.000e+00 a 0 0 0 0 0 >> 37 0.888 23.061 2.241 9 T 9.249e+06 0.000e+00 a 0 0 0 0 0 >> 38 0.884 23.020 2.023 9 T 1.061e+07 0.000e+00 a 0 0 0 0 0 >> 39 0.882 22.981 3.491 9 T 9.268e+06 0.000e+00 a 0 0 0 0 0 >> 40 0.881 22.934 3.879 9 T 1.924e+07 0.000e+00 a 0 0 0 0 0 >> 41 0.881 22.983 4.149 9 T 1.238e+07 0.000e+00 a 0 0 0 0 0 >> 42 0.906 24.449 1.763 9 T 1.892e+07 0.000e+00 a 0 0 0 0 0 >>5042 0.906 24.449 1.763 9 T 1.892e+07 0.000e+00 a 0 0 0 0 0 >> 43 0.909 24.448 4.154 9 T 3.890e+07 0.000e+00 a 0 0 0 0 0 >> 46 1.096 22.402 3.525 9 T 1.158e+07 0.000e+00 a 0 0 0 0 0 >> 47 0.808 26.428 1.111 9 T 1.547e+07 0.000e+00 a 0 0 0 0 0 >> 49 0.905 24.229 3.051 9 T 5.327e+06 0.000e+00 a 0 0 0 0 0 >> 50 1.496 24.839 3.038 9 T 6.345e+06 0.000e+00 a 0 0 0 0 0 >> 52 0.904 24.395 4.426 9 T 7.404e+06 0.000e+00 a 0 0 0 0 0 >> 57 0.423 22.978 0.746 9 T 8.972e+06 0.000e+00 a 0 0 0 0 0 >> 58 0.410 22.952 1.005 9 T 6.952e+06 0.000e+00 a 0 0 0 0 0 >> 59 0.410 23.084 2.128 9 T 1.019e+07 0.000e+00 a 0 0 0 0 0 >> 67 0.610 23.797 0.986 9 T 8.746e+06 0.000e+00 a 0 0 0 0 0 >> 73 0.178 25.231 2.153 9 T 2.932e+06 0.000e+00 a 0 0 0 0 0 >>5073 0.178 25.231 2.153 9 T 2.932e+06 0.000e+00 a 0 0 0 0 0 >> 78 0.526 21.267 1.117 9 T 5.603e+06 0.000e+00 a 0 0 0 0 0 >> 84 0.613 23.646 0.762 9 T 9.926e+06 0.000e+00 a 0 0 0 0 0 >> 85 0.617 23.735 2.129 9 T 7.539e+06 0.000e+00 a 0 0 0 0 0 >> 86 0.620 23.736 4.152 9 T 5.854e+06 0.000e+00 a 0 0 0 0 0 >> 87 0.619 23.809 2.463 9 T 3.533e+06 0.000e+00 a 0 0 0 0 0 >> 91 1.067 28.335 0.765 9 T 7.828e+06 0.000e+00 a 0 0 0 0 0 >> 92 1.064 28.394 1.102 9 T 9.134e+06 0.000e+00 a 0 0 0 0 0 >> 93 1.082 28.285 0.961 9 T 9.287e+06 0.000e+00 a 0 0 0 0 0 >> 94 1.063 28.341 3.446 9 T 6.364e+06 0.000e+00 a 0 0 0 0 0 >> 95 1.062 28.345 4.112 9 T 7.127e+06 0.000e+00 a 0 0 0 0 0 >> 96 1.072 28.376 3.919 9 T 5.679e+06 0.000e+00 a 0 0 0 0 0 >> 103 0.967 27.731 1.312 9 T 6.234e+06 0.000e+00 a 0 0 0 0 0 >> 105 0.962 27.718 2.037 9 T 7.546e+06 0.000e+00 a 0 0 0 0 0 >> 106 0.962 27.728 3.497 9 T 9.942e+06 0.000e+00 a 0 0 0 0 0 >> 107 0.966 27.852 3.886 9 T 5.409e+06 0.000e+00 a 0 0 0 0 0 >> 108 0.968 27.853 4.163 9 T 2.859e+06 0.000e+00 a 0 0 0 0 0 >>5108 0.968 27.853 4.163 9 T 2.859e+06 0.000e+00 a 0 0 0 0 0 >> 110 0.958 27.589 2.238 9 T 4.609e+06 0.000e+00 a 0 0 0 0 0 >> 116 1.085 25.097 0.937 9 T 2.048e+07 0.000e+00 a 0 0 0 0 0 >> 118 0.985 25.818 2.046 9 T 1.604e+07 0.000e+00 a 0 0 0 0 0 >> 119 0.986 25.831 4.156 9 T 1.388e+07 0.000e+00 a 0 0 0 0 0 >>5119 0.986 25.831 4.156 9 T 1.388e+07 0.000e+00 a 0 0 0 0 0 >> 120 0.987 25.637 3.926 9 T 8.908e+06 0.000e+00 a 0 0 0 0 0 >> 124 0.975 26.058 3.019 9 T 7.194e+06 0.000e+00 a 0 0 0 0 0 >> 125 0.981 25.818 3.457 9 T 2.678e+06 0.000e+00 a 0 0 0 0 0 >>5125 0.981 25.818 3.457 9 T 2.678e+06 0.000e+00 a 0 0 0 0 0 >> 128 1.285 21.113 0.940 9 T 1.546e+07 0.000e+00 a 0 0 0 0 0 >> 130 1.097 22.373 1.674 9 T 4.903e+06 0.000e+00 a 0 0 0 0 0 >> 132 1.102 22.459 0.816 9 T 2.615e+07 0.000e+00 a 0 0 0 0 0 >> 134 1.097 22.374 3.916 9 T 5.170e+06 0.000e+00 a 0 0 0 0 0 >>5134 1.097 22.374 3.916 9 T 5.170e+06 0.000e+00 a 0 0 0 0 0 >> 135 1.101 22.358 4.148 9 T 7.168e+06 0.000e+00 a 0 0 0 0 0 >> 138 0.920 21.420 1.636 9 T 1.077e+07 0.000e+00 a 0 0 0 0 0 >> 139 0.926 21.474 1.833 9 T 1.237e+07 0.000e+00 a 0 0 0 0 0 >> 140 0.929 21.467 2.048 9 T 7.811e+06 0.000e+00 a 0 0 0 0 0 >> 141 0.923 21.424 2.207 9 T 4.296e+06 0.000e+00 a 0 0 0 0 0 >>5141 0.923 21.424 2.207 9 T 4.296e+06 0.000e+00 a 0 0 0 0 0 >> 142 0.931 21.432 3.022 9 T 1.253e+07 0.000e+00 a 0 0 0 0 0 >> 146 1.819 28.710 0.960 9 T 1.421e+07 0.000e+00 a 0 0 0 0 0 >> 150 1.088 25.094 3.021 9 T 7.703e+06 0.000e+00 a 0 0 0 0 0 >> 153 0.733 21.064 1.054 9 T 1.164e+07 0.000e+00 a 0 0 0 0 0 >> 154 0.724 21.175 0.444 9 T 5.817e+06 0.000e+00 a 0 0 0 0 0 >> 156 0.734 21.298 2.267 9 T 6.048e+06 0.000e+00 a 0 0 0 0 0 >> 158 0.741 21.059 3.460 9 T 4.535e+06 0.000e+00 a 0 0 0 0 0 >> 159 0.740 21.069 3.934 9 T 6.644e+06 0.000e+00 a 0 0 0 0 0 >> 162 1.085 25.086 1.638 9 T 1.179e+07 0.000e+00 a 0 0 0 0 0 >> 163 1.086 25.135 1.846 9 T 5.525e+06 0.000e+00 a 0 0 0 0 0 >>5163 1.086 25.135 1.846 9 T 5.525e+06 0.000e+00 a 0 0 0 0 0 >> 164 1.075 25.142 2.051 9 T 6.568e+06 0.000e+00 a 0 0 0 0 0 >> 165 1.088 25.061 2.206 9 T 5.672e+06 0.000e+00 a 0 0 0 0 0 >> 166 1.092 25.129 3.486 9 T 5.904e+06 0.000e+00 a 0 0 0 0 0 >> 169 1.493 24.586 0.960 9 T 7.834e+06 0.000e+00 a 0 0 0 0 0 >> 170 1.504 24.780 1.764 9 T 9.469e+06 0.000e+00 a 0 0 0 0 0 >> 171 1.589 24.930 1.107 9 T 5.834e+06 0.000e+00 a 0 0 0 0 0 >> 172 1.599 25.063 0.950 9 T 8.634e+06 0.000e+00 a 0 0 0 0 0 >> 173 1.625 25.084 0.955 9 T 7.754e+06 0.000e+00 a 0 0 0 0 0 >> 174 1.633 25.003 1.103 9 T 6.541e+06 0.000e+00 a 0 0 0 0 0 >> 180 1.763 27.314 0.944 9 T 1.559e+07 0.000e+00 a 0 0 0 0 0 >> 182 1.746 27.366 4.134 9 T 3.968e+06 0.000e+00 a 0 0 0 0 0 >> 183 1.819 28.650 1.107 9 T 1.005e+07 0.000e+00 a 0 0 0 0 0 >> 188 1.819 26.776 0.956 9 T 4.726e+06 0.000e+00 a 0 0 0 0 0 >>5188 1.819 26.776 0.956 9 T 4.726e+06 0.000e+00 a 0 0 0 0 0 >> 201 2.227 37.437 1.113 9 T 2.680e+06 0.000e+00 a 0 0 0 0 0 >>5201 2.227 37.437 1.113 9 T 2.680e+06 0.000e+00 a 0 0 0 0 0 >> 203 3.030 41.914 0.954 9 T 1.565e+07 0.000e+00 a 0 0 0 0 0 >> 204 2.966 41.848 0.957 9 T 1.302e+07 0.000e+00 a 0 0 0 0 0 >> 211 2.028 42.488 0.960 9 T 9.791e+06 0.000e+00 a 0 0 0 0 0 >> 212 1.838 42.668 0.954 9 T 7.564e+06 0.000e+00 a 0 0 0 0 0 >> 213 1.743 42.529 0.954 9 T 9.996e+06 0.000e+00 a 0 0 0 0 0 >> 214 1.679 42.515 0.953 9 T 5.130e+06 0.000e+00 a 0 0 0 0 0 >>5214 1.679 42.515 0.953 9 T 5.130e+06 0.000e+00 a 0 0 0 0 0 >> 219 1.699 28.932 4.121 9 T 2.586e+06 0.000e+00 a 0 0 0 0 0 >>5219 1.699 28.932 4.121 9 T 2.586e+06 0.000e+00 a 0 0 0 0 0 >> 220 1.704 28.994 1.955 9 T 7.236e+06 0.000e+00 a 0 0 0 0 0 >> 221 1.693 29.174 4.427 9 T 4.222e+06 0.000e+00 a 0 0 0 0 0 >> 229 1.107 22.342 1.074 9 T 1.044e+07 0.000e+00 a 0 0 0 0 0 >>5229 1.107 22.342 1.074 9 T 1.044e+07 0.000e+00 a 0 0 0 0 0 >> 230 1.095 25.079 1.099 9 T 7.420e+06 0.000e+00 a 0 0 0 0 0 >>5230 1.095 25.079 1.099 9 T 7.420e+06 0.000e+00 a 0 0 0 0 0 >> 244 1.083 24.969 4.147 9 T 6.623e+06 0.000e+00 a 0 0 0 0 0 >> 245 0.183 25.063 0.769 9 T 4.661e+06 0.000e+00 a 0 0 0 0 0 >> 247 1.103 22.377 0.567 9 T 9.457e+06 0.000e+00 a 0 0 0 0 0 >> 249 0.734 27.816 2.136 9 T 5.696e+06 0.000e+00 a 0 0 0 0 0 >> 250 0.737 27.637 1.113 9 T 1.280e+07 0.000e+00 a 0 0 0 0 0 >> 251 0.723 27.798 2.444 9 T 4.608e+06 0.000e+00 a 0 0 0 0 0 >> 253 0.724 27.575 3.526 9 T 3.310e+06 0.000e+00 a 0 0 0 0 0 >>5253 0.724 27.575 3.526 9 T 3.310e+06 0.000e+00 a 0 0 0 0 0 >> 254 0.736 27.685 4.154 9 T 8.639e+06 0.000e+00 a 0 0 0 0 0 >> 255 0.616 23.566 2.831 9 T 3.514e+06 0.000e+00 a 0 0 0 0 0 >> 260 0.986 25.784 0.443 9 T 6.238e+06 0.000e+00 a 0 0 0 0 0 >> 265 1.096 22.405 7.165 9 T 4.723e+06 0.000e+00 a 0 0 0 0 0 >> 273 0.736 20.952 0.199 9 T 3.953e+06 0.000e+00 a 0 0 0 0 0 >> 280 1.697 29.038 3.056 9 T 7.160e+06 0.000e+00 a 0 0 0 0 0 >> 283 1.098 22.477 2.284 9 T 7.589e+06 0.000e+00 a 0 0 0 0 0 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 H-aliphatic 2 aliased 13.9505 ppm . . . 4.7 . . 30543 3 >> 2 . . C 13 C-aliphatic 1 aliased 40.5 ppm . . . 25.75 . . 30543 3 >> 3 . . H 1 H . aliased 10.0 ppm . . . 4.7 . . 30543 3 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_4 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-13C interNOESY aliphatic' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H H-aliphatic 2 C C-aliphatic 3 H H stop_ _Sample_label $sample_4 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_4 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_4 >> _Spectral_peak_list.Entry_ID 30543 >> _Spectral_peak_list.ID 4 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 4 >> _Spectral_peak_list.Sample_label $sample_4 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 19 >> _Spectral_peak_list.Experiment_name '3D 1H-13C interNOESY 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 >># FORMAT xeasy3D >># INAME 1 HC >># INAME 2 C >># INAME 3 H >># SPECTRUM C13NOESY HC C H >> 49 3.414 35.885 0.834 1 T 4.774e+06 0.000e+00 a 0 0 0 0 0 >> 50 3.398 36.087 1.028 1 T 4.356e+06 0.000e+00 a 0 0 0 0 0 >> 51 2.993 35.880 1.015 1 T 4.100e+06 0.000e+00 a 0 0 0 0 0 >> 52 3.009 35.766 0.836 1 T 4.213e+06 0.000e+00 a 0 0 0 0 0 >> 53 3.395 35.948 2.984 1 T 3.670e+06 0.000e+00 a 0 0 0 0 0 >> 54 2.973 35.729 3.407 1 T 4.364e+06 0.000e+00 a 0 0 0 0 0 >> 56 3.397 35.969 3.913 8 T 1.469e+06 0.000e+00 a 0 0 0 0 0 >>5056 3.397 35.969 3.913 8 T 1.469e+06 0.000e+00 a 0 0 0 0 0 >> 57 2.981 35.654 3.913 8 T 1.639e+06 0.000e+00 a 0 0 0 0 0 >>5057 2.981 35.654 3.913 8 T 1.639e+06 0.000e+00 a 0 0 0 0 0 >> 58 2.984 35.965 7.130 1 T 4.617e+06 0.000e+00 a 0 0 0 0 0 >> 59 3.400 35.873 7.129 1 T 4.543e+06 0.000e+00 a 0 0 0 0 0 >> 60 4.337 56.398 8.275 1 T 1.316e+07 0.000e+00 a 0 0 0 0 0 >> 62 2.246 36.340 7.850 1 T 2.077e+07 0.000e+00 a 0 0 0 0 0 >> 63 2.347 36.483 7.858 1 T 1.435e+07 0.000e+00 a 0 0 0 0 0 >> 64 2.363 36.103 7.671 1 T 7.287e+06 0.000e+00 a 0 0 0 0 0 >> 66 2.251 36.331 7.665 1 T 7.513e+06 0.000e+00 a 0 0 0 0 0 >> 70 4.929 53.390 8.416 1 T 5.674e+06 0.000e+00 a 0 0 0 0 0 >> 71 4.134 59.011 7.571 1 T 1.322e+07 0.000e+00 a 0 0 0 0 0 >> 72 4.132 59.052 7.912 1 T 1.350e+07 0.000e+00 a 0 0 0 0 0 >> 73 2.106 29.728 7.851 1 T 2.946e+07 0.000e+00 a 0 0 0 0 0 >> 74 2.102 29.704 7.666 1 T 1.499e+07 0.000e+00 a 0 0 0 0 0 >> 76 2.158 29.607 8.075 1 T 1.688e+07 0.000e+00 a 0 0 0 0 0 >> 77 2.252 29.648 8.070 1 T 1.898e+07 0.000e+00 a 0 0 0 0 0 >> 80 3.203 29.139 4.146 1 T 2.999e+06 0.000e+00 a 0 0 0 0 0 >> 81 3.313 29.115 4.149 1 T 3.444e+06 0.000e+00 a 0 0 0 0 0 >> 82 3.208 29.105 7.399 1 T 3.502e+06 0.000e+00 a 0 0 0 0 0 >> 83 3.314 29.343 7.384 1 T 2.753e+06 0.000e+00 a 0 0 0 0 0 >> 84 3.338 29.116 7.673 1 T 3.414e+06 0.000e+00 a 0 0 0 0 0 >> 85 3.200 29.330 7.665 1 T 2.493e+06 0.000e+00 a 0 0 0 0 0 >> 86 4.287 62.014 8.077 1 T 5.206e+06 0.000e+00 a 0 0 0 0 0 >> 87 4.281 62.133 8.204 1 T 4.526e+06 0.000e+00 a 0 0 0 0 0 >> 88 4.127 62.820 8.187 8 T 3.196e+06 0.000e+00 a 0 0 0 0 0 >>5088 4.127 62.820 8.187 8 T 3.196e+06 0.000e+00 a 0 0 0 0 0 >> 91 3.919 65.463 7.547 8 T 4.880e+06 0.000e+00 a 0 0 0 0 0 >>5091 3.919 65.463 7.547 8 T 4.880e+06 0.000e+00 a 0 0 0 0 0 >> 92 3.925 65.419 7.398 1 T 6.044e+06 0.000e+00 a 0 0 0 0 0 >> 94 2.356 32.040 7.419 8 T 5.120e+06 0.000e+00 a 0 0 0 0 0 >>5094 2.356 32.040 7.419 8 T 5.120e+06 0.000e+00 a 0 0 0 0 0 >> 95 2.353 31.959 7.544 8 T 8.960e+06 0.000e+00 a 0 0 0 0 0 >>5095 2.353 31.959 7.544 8 T 8.960e+06 0.000e+00 a 0 0 0 0 0 >> 96 1.095 21.118 7.390 8 T 2.044e+07 0.000e+00 a 0 0 0 0 0 >>5096 1.095 21.118 7.390 8 T 2.044e+07 0.000e+00 a 0 0 0 0 0 >> 97 1.098 21.116 7.542 8 T 1.582e+07 0.000e+00 a 0 0 0 0 0 >>5097 1.098 21.116 7.542 8 T 1.582e+07 0.000e+00 a 0 0 0 0 0 >> 98 1.138 22.188 7.402 8 T 1.622e+07 0.000e+00 a 0 0 0 0 0 >>5098 1.138 22.188 7.402 8 T 1.622e+07 0.000e+00 a 0 0 0 0 0 >> 99 1.137 22.169 7.544 8 T 3.229e+07 0.000e+00 a 0 0 0 0 0 >>5099 1.137 22.169 7.544 8 T 3.229e+07 0.000e+00 a 0 0 0 0 0 >> 100 4.454 56.547 7.371 1 T 1.049e+07 0.000e+00 a 0 0 0 0 0 >> 102 2.098 41.973 7.405 8 T 3.232e+06 0.000e+00 a 0 0 0 0 0 >>5102 2.098 41.973 7.405 8 T 3.232e+06 0.000e+00 a 0 0 0 0 0 >> 103 1.785 41.993 7.402 1 T 7.268e+06 0.000e+00 a 0 0 0 0 0 >> 104 1.782 41.985 2.092 1 T 1.490e+07 0.000e+00 a 0 0 0 0 0 >> 105 2.084 41.990 1.781 1 T 1.539e+07 0.000e+00 a 0 0 0 0 0 >> 106 1.931 27.255 7.399 1 T 9.196e+06 0.000e+00 a 0 0 0 0 0 >> 107 0.910 26.160 7.680 8 T 1.006e+07 0.000e+00 a 0 0 0 0 0 >>5107 0.910 26.160 7.680 8 T 1.006e+07 0.000e+00 a 0 0 0 0 0 >> 109 0.906 26.175 6.945 1 T 3.626e+07 0.000e+00 a 0 0 0 0 0 >> 110 0.905 26.112 6.382 1 T 2.103e+07 0.000e+00 a 0 0 0 0 0 >> 111 0.911 26.229 5.762 1 T 1.423e+07 0.000e+00 a 0 0 0 0 0 >> 112 0.882 23.958 4.460 1 T 5.340e+07 0.000e+00 a 0 0 0 0 0 >> 113 0.916 24.363 4.442 1 T 5.580e+07 0.000e+00 a 0 0 0 0 0 >> 117 0.864 24.070 4.159 1 T 7.501e+07 0.000e+00 a 0 0 0 0 0 >> 118 0.887 24.008 6.957 1 T 2.740e+07 0.000e+00 a 0 0 0 0 0 >> 119 0.915 23.324 6.940 1 T 3.463e+07 0.000e+00 a 0 0 0 0 0 >> 121 0.885 23.934 7.394 1 T 2.909e+07 0.000e+00 a 0 0 0 0 0 >> 122 4.166 59.707 8.069 1 T 1.201e+07 0.000e+00 a 0 0 0 0 0 >> 123 4.173 59.507 2.401 1 T 2.845e+07 0.000e+00 a 0 0 0 0 0 >> 124 2.418 36.006 8.071 8 T 1.902e+07 0.000e+00 a 0 0 0 0 0 >>5124 2.418 36.006 8.071 8 T 1.902e+07 0.000e+00 a 0 0 0 0 0 >> 131 4.155 45.906 8.027 1 T 7.475e+06 0.000e+00 a 0 0 0 0 0 >> 132 3.779 45.893 8.026 1 T 9.870e+06 0.000e+00 a 0 0 0 0 0 >> 133 5.039 57.772 7.324 1 T 1.222e+07 0.000e+00 a 0 0 0 0 0 >> 134 5.046 57.716 7.944 1 T 5.922e+06 0.000e+00 a 0 0 0 0 0 >> 135 3.450 40.257 7.320 1 T 5.335e+06 0.000e+00 a 0 0 0 0 0 >> 136 3.790 62.173 7.777 1 T 3.513e+06 0.000e+00 a 0 0 0 0 0 >> 137 3.773 62.335 8.575 1 T 3.758e+06 0.000e+00 a 0 0 0 0 0 >> 138 2.176 31.035 7.996 1 T 7.102e+06 0.000e+00 a 0 0 0 0 0 >> 139 2.273 31.275 7.978 1 T 9.534e+06 0.000e+00 a 0 0 0 0 0 >> 140 1.937 30.884 8.233 1 T 7.964e+06 0.000e+00 a 0 0 0 0 0 >> 141 1.609 29.379 7.995 1 T 8.174e+06 0.000e+00 a 0 0 0 0 0 >> 142 1.564 29.361 8.000 1 T 7.481e+06 0.000e+00 a 0 0 0 0 0 >> 143 3.313 43.285 7.282 1 T 9.303e+06 0.000e+00 a 0 0 0 0 0 >> 145 3.313 43.372 7.978 8 T 4.533e+06 0.000e+00 a 0 0 0 0 0 >>5145 3.313 43.372 7.978 8 T 4.533e+06 0.000e+00 a 0 0 0 0 0 >> 147 2.130 31.352 7.669 1 T 1.097e+07 0.000e+00 a 0 0 0 0 0 >> 151 0.917 21.183 7.658 1 T 2.927e+07 0.000e+00 a 0 0 0 0 0 >> 152 3.977 67.216 7.953 1 T 7.825e+06 0.000e+00 a 0 0 0 0 0 >> 153 4.024 67.029 8.604 1 T 4.823e+06 0.000e+00 a 0 0 0 0 0 >> 154 4.024 67.097 7.666 1 T 4.307e+06 0.000e+00 a 0 0 0 0 0 >> 155 4.278 69.177 7.330 1 T 5.213e+06 0.000e+00 a 0 0 0 0 0 >> 156 4.279 69.192 7.672 1 T 3.691e+06 0.000e+00 a 0 0 0 0 0 >> 157 4.289 69.143 8.573 1 T 5.963e+06 0.000e+00 a 0 0 0 0 0 >> 158 1.218 22.027 7.351 1 T 1.698e+07 0.000e+00 a 0 0 0 0 0 >> 159 1.219 22.073 7.664 1 T 1.466e+07 0.000e+00 a 0 0 0 0 0 >> 160 1.221 22.104 8.586 1 T 1.409e+07 0.000e+00 a 0 0 0 0 0 >> 161 1.363 42.157 3.992 1 T 4.693e+06 0.000e+00 a 0 0 0 0 0 >> 164 2.085 41.992 4.474 1 T 4.869e+06 0.000e+00 a 0 0 0 0 0 >> 165 1.348 42.261 1.059 1 T 9.580e+06 0.000e+00 a 0 0 0 0 0 >> 166 1.036 26.582 6.946 1 T 1.726e+07 0.000e+00 a 0 0 0 0 0 >> 168 1.038 26.643 8.577 1 T 1.123e+07 0.000e+00 a 0 0 0 0 0 >> 169 0.925 23.077 8.086 1 T 3.662e+07 0.000e+00 a 0 0 0 0 0 >> 172 1.282 21.515 7.742 1 T 1.675e+07 0.000e+00 a 0 0 0 0 0 >> 173 1.280 21.675 8.529 1 T 2.324e+07 0.000e+00 a 0 0 0 0 0 >> 174 4.453 61.008 7.581 1 T 1.182e+07 0.000e+00 a 0 0 0 0 0 >> 175 4.444 60.967 7.362 1 T 7.087e+06 0.000e+00 a 0 0 0 0 0 >> 176 4.111 64.161 7.577 1 T 1.264e+07 0.000e+00 a 0 0 0 0 0 >> 177 4.113 64.146 7.391 1 T 7.510e+06 0.000e+00 a 0 0 0 0 0 >> 179 4.044 64.196 7.377 1 T 1.104e+07 0.000e+00 a 0 0 0 0 0 >> 180 1.772 34.666 7.389 1 T 8.999e+06 0.000e+00 a 0 0 0 0 0 >> 181 1.763 34.690 7.124 1 T 5.113e+06 0.000e+00 a 0 0 0 0 0 >> 182 1.753 34.679 7.591 8 T 1.577e+06 0.000e+00 a 0 0 0 0 0 >>5182 1.753 34.679 7.591 8 T 1.577e+06 0.000e+00 a 0 0 0 0 0 >> 183 0.813 21.741 7.721 1 T 2.548e+07 0.000e+00 a 0 0 0 0 0 >> 184 0.816 21.763 7.285 8 T 1.394e+07 0.000e+00 a 0 0 0 0 0 >>5184 0.816 21.763 7.285 8 T 1.394e+07 0.000e+00 a 0 0 0 0 0 >> 185 0.809 22.061 7.127 1 T 1.992e+07 0.000e+00 a 0 0 0 0 0 >> 186 1.010 22.369 7.378 1 T 4.590e+07 0.000e+00 a 0 0 0 0 0 >> 187 1.007 22.349 7.581 1 T 1.950e+07 0.000e+00 a 0 0 0 0 0 >> 189 1.008 22.350 7.140 1 T 1.869e+07 0.000e+00 a 0 0 0 0 0 >> 190 1.686 38.749 7.154 1 T 3.080e+06 0.000e+00 a 0 0 0 0 0 >> 191 0.243 28.532 1.386 1 T 4.158e+06 0.000e+00 a 0 0 0 0 0 >> 192 0.529 16.331 0.261 1 T 1.602e+07 0.000e+00 a 0 0 0 0 0 >> 193 0.529 16.345 6.691 8 T 6.340e+06 0.000e+00 a 0 0 0 0 0 >>5193 0.529 16.345 6.691 8 T 6.340e+06 0.000e+00 a 0 0 0 0 0 >> 194 0.529 16.321 6.979 8 T 5.680e+06 0.000e+00 a 0 0 0 0 0 >>5194 0.529 16.321 6.979 8 T 5.680e+06 0.000e+00 a 0 0 0 0 0 >> 195 0.529 16.211 7.131 1 T 1.293e+07 0.000e+00 a 0 0 0 0 0 >> 196 0.529 16.313 7.939 1 T 1.338e+07 0.000e+00 a 0 0 0 0 0 >> 197 0.763 15.062 6.700 8 T 3.239e+06 0.000e+00 a 0 0 0 0 0 >>5197 0.763 15.062 6.700 8 T 3.239e+06 0.000e+00 a 0 0 0 0 0 >> 198 0.760 15.006 6.954 8 T 1.922e+07 0.000e+00 a 0 0 0 0 0 >>5198 0.760 15.006 6.954 8 T 1.922e+07 0.000e+00 a 0 0 0 0 0 >> 199 0.759 15.065 7.141 1 T 1.483e+07 0.000e+00 a 0 0 0 0 0 >> 200 0.760 15.084 8.572 1 T 5.912e+06 0.000e+00 a 0 0 0 0 0 >> 201 3.957 65.057 0.528 8 T 3.504e+06 0.000e+00 a 0 0 0 0 0 >>5201 3.957 65.057 0.528 8 T 3.504e+06 0.000e+00 a 0 0 0 0 0 >> 203 3.958 64.875 1.972 1 T 1.503e+07 0.000e+00 a 0 0 0 0 0 >> 204 3.971 64.531 7.983 1 T 1.779e+07 0.000e+00 a 0 0 0 0 0 >> 205 2.358 31.947 3.924 1 T 1.883e+07 0.000e+00 a 0 0 0 0 0 >> 206 2.388 31.949 4.232 1 T 1.343e+07 0.000e+00 a 0 0 0 0 0 >> 207 4.208 61.285 8.053 1 T 5.331e+06 0.000e+00 a 0 0 0 0 0 >> 208 3.976 57.447 6.816 1 T 7.478e+06 0.000e+00 a 0 0 0 0 0 >> 209 3.974 57.159 7.676 1 T 9.877e+06 0.000e+00 a 0 0 0 0 0 >> 210 1.887 31.196 6.698 8 T 2.500e+06 0.000e+00 a 0 0 0 0 0 >>5210 1.887 31.196 6.698 8 T 2.500e+06 0.000e+00 a 0 0 0 0 0 >> 211 1.901 31.470 7.661 1 T 9.311e+06 0.000e+00 a 0 0 0 0 0 >> 212 1.381 26.856 6.672 1 T 5.982e+06 0.000e+00 a 0 0 0 0 0 >> 213 1.388 26.872 7.662 1 T 6.683e+06 0.000e+00 a 0 0 0 0 0 >> 244 2.823 39.735 6.925 1 T 6.027e+06 0.000e+00 a 0 0 0 0 0 >> 245 2.757 39.789 6.919 1 T 4.411e+06 0.000e+00 a 0 0 0 0 0 >> 246 2.820 40.091 7.345 1 T 6.307e+06 0.000e+00 a 0 0 0 0 0 >> 247 2.822 39.769 7.633 1 T 5.160e+06 0.000e+00 a 0 0 0 0 0 >> 248 2.766 39.540 7.617 1 T 3.870e+06 0.000e+00 a 0 0 0 0 0 >> 249 2.828 39.821 8.325 1 T 6.219e+06 0.000e+00 a 0 0 0 0 0 >> 251 2.207 39.448 4.399 1 T 5.614e+06 0.000e+00 a 0 0 0 0 0 >> 252 2.217 39.468 0.907 1 T 9.714e+06 0.000e+00 a 0 0 0 0 0 >> 253 2.227 39.568 1.449 1 T 3.727e+06 0.000e+00 a 0 0 0 0 0 >> 254 0.910 18.028 6.689 1 T 3.400e+07 0.000e+00 a 0 0 0 0 0 >> 255 0.909 18.037 7.006 8 T 9.225e+06 0.000e+00 a 0 0 0 0 0 >>5255 0.909 18.037 7.006 8 T 9.225e+06 0.000e+00 a 0 0 0 0 0 >> 256 0.909 18.075 7.173 8 T 8.905e+06 0.000e+00 a 0 0 0 0 0 >>5256 0.909 18.075 7.173 8 T 8.905e+06 0.000e+00 a 0 0 0 0 0 >> 257 0.908 18.134 7.665 1 T 1.361e+07 0.000e+00 a 0 0 0 0 0 >> 258 0.912 18.166 7.946 1 T 9.509e+06 0.000e+00 a 0 0 0 0 0 >> 260 1.025 14.673 6.677 1 T 1.405e+07 0.000e+00 a 0 0 0 0 0 >> 261 1.022 14.727 7.150 8 T 3.288e+06 0.000e+00 a 0 0 0 0 0 >>5261 1.022 14.727 7.150 8 T 3.288e+06 0.000e+00 a 0 0 0 0 0 >> 262 1.026 14.714 6.956 8 T 1.618e+07 0.000e+00 a 0 0 0 0 0 >>5262 1.026 14.714 6.956 8 T 1.618e+07 0.000e+00 a 0 0 0 0 0 >> 263 1.030 14.634 7.668 1 T 5.981e+06 0.000e+00 a 0 0 0 0 0 >> 264 1.025 14.739 7.935 1 T 7.404e+06 0.000e+00 a 0 0 0 0 0 >> 265 4.000 68.884 7.814 1 T 3.584e+06 0.000e+00 a 0 0 0 0 0 >> 266 3.992 68.874 7.952 1 T 3.097e+06 0.000e+00 a 0 0 0 0 0 >> 267 4.243 67.725 7.983 1 T 3.501e+06 0.000e+00 a 0 0 0 0 0 >> 268 1.189 22.705 6.661 8 T 5.045e+06 0.000e+00 a 0 0 0 0 0 >>5268 1.189 22.705 6.661 8 T 5.045e+06 0.000e+00 a 0 0 0 0 0 >> 274 3.217 50.585 1.933 1 T 4.891e+06 0.000e+00 a 0 0 0 0 0 >> 275 3.228 50.628 4.028 1 T 4.975e+06 0.000e+00 a 0 0 0 0 0 >> 277 2.291 26.582 0.872 1 T 7.216e+06 0.000e+00 a 0 0 0 0 0 >> 278 2.282 26.680 1.072 1 T 9.873e+06 0.000e+00 a 0 0 0 0 0 >> 279 2.287 27.009 3.998 1 T 4.468e+06 0.000e+00 a 0 0 0 0 0 >> 281 1.109 27.813 7.829 1 T 1.148e+07 0.000e+00 a 0 0 0 0 0 >> 283 1.108 27.910 9.006 1 T 5.654e+06 0.000e+00 a 0 0 0 0 0 >> 284 1.051 22.085 6.911 8 T 9.420e+06 0.000e+00 a 0 0 0 0 0 >>5284 1.051 22.085 6.911 8 T 9.420e+06 0.000e+00 a 0 0 0 0 0 >> 285 1.051 22.118 7.834 1 T 1.673e+07 0.000e+00 a 0 0 0 0 0 >> 288 1.914 29.797 9.013 1 T 1.021e+07 0.000e+00 a 0 0 0 0 0 >> 289 1.511 27.159 3.107 1 T 3.514e+07 0.000e+00 a 0 0 0 0 0 >> 291 1.500 27.020 6.694 1 T 8.175e+06 0.000e+00 a 0 0 0 0 0 >> 292 1.737 27.128 9.006 1 T 9.489e+06 0.000e+00 a 0 0 0 0 0 >> 293 1.507 27.196 9.012 1 T 7.732e+06 0.000e+00 a 0 0 0 0 0 >> 294 4.144 58.769 8.026 1 T 1.532e+07 0.000e+00 a 0 0 0 0 0 >> 295 4.147 58.243 8.717 1 T 1.405e+07 0.000e+00 a 0 0 0 0 0 >> 296 4.147 58.213 7.693 1 T 1.100e+07 0.000e+00 a 0 0 0 0 0 >> 297 4.095 58.440 7.668 1 T 1.659e+07 0.000e+00 a 0 0 0 0 0 >> 298 2.057 28.502 8.055 1 T 8.544e+06 0.000e+00 a 0 0 0 0 0 >> 299 2.025 28.423 8.049 1 T 9.044e+06 0.000e+00 a 0 0 0 0 0 >> 302 1.355 42.354 2.082 1 T 5.860e+06 0.000e+00 a 0 0 0 0 0 >> 303 2.356 34.453 8.055 1 T 1.457e+07 0.000e+00 a 0 0 0 0 0 >> 304 2.028 28.442 4.125 1 T 1.809e+07 0.000e+00 a 0 0 0 0 0 >> 305 3.069 28.612 2.789 1 T 5.724e+06 0.000e+00 a 0 0 0 0 0 >> 306 2.789 28.517 2.581 1 T 6.429e+06 0.000e+00 a 0 0 0 0 0 >> 307 2.779 28.694 7.483 1 T 3.741e+06 0.000e+00 a 0 0 0 0 0 >> 308 3.078 28.510 7.471 1 T 3.682e+06 0.000e+00 a 0 0 0 0 0 >> 309 4.044 57.554 6.703 1 T 6.189e+06 0.000e+00 a 0 0 0 0 0 >> 311 4.034 57.629 7.240 1 T 8.632e+06 0.000e+00 a 0 0 0 0 0 >> 312 4.048 57.754 7.515 8 T 4.064e+06 0.000e+00 a 0 0 0 0 0 >>5312 4.048 57.754 7.515 8 T 4.064e+06 0.000e+00 a 0 0 0 0 0 >> 313 4.033 57.638 7.820 1 T 1.886e+07 0.000e+00 a 0 0 0 0 0 >> 316 4.048 57.623 7.913 1 T 1.640e+07 0.000e+00 a 0 0 0 0 0 >> 318 1.941 29.401 7.994 1 T 1.442e+07 0.000e+00 a 0 0 0 0 0 >> 319 1.978 29.876 9.011 1 T 9.095e+06 0.000e+00 a 0 0 0 0 0 >> 320 1.748 27.111 7.508 1 T 1.050e+07 0.000e+00 a 0 0 0 0 0 >> 321 2.077 28.952 3.028 1 T 5.878e+06 0.000e+00 a 0 0 0 0 0 >> 322 2.168 28.200 8.690 1 T 6.225e+06 0.000e+00 a 0 0 0 0 0 >> 323 1.348 24.895 7.345 8 T 3.896e+06 0.000e+00 a 0 0 0 0 0 >>5323 1.348 24.895 7.345 8 T 3.896e+06 0.000e+00 a 0 0 0 0 0 >> 325 1.343 25.328 7.914 1 T 1.111e+07 0.000e+00 a 0 0 0 0 0 >> 327 1.788 29.327 7.982 1 T 2.070e+07 0.000e+00 a 0 0 0 0 0 >> 330 4.501 61.623 7.251 1 T 8.397e+06 0.000e+00 a 0 0 0 0 0 >> 331 2.474 32.207 7.942 1 T 1.058e+07 0.000e+00 a 0 0 0 0 0 >> 332 2.759 32.226 7.939 1 T 9.828e+06 0.000e+00 a 0 0 0 0 0 >> 333 2.457 32.222 8.689 1 T 8.094e+06 0.000e+00 a 0 0 0 0 0 >> 334 2.833 32.250 8.683 1 T 5.791e+06 0.000e+00 a 0 0 0 0 0 >> 335 2.441 32.237 6.711 1 T 4.619e+06 0.000e+00 a 0 0 0 0 0 >> 336 0.845 21.444 7.238 1 T 3.284e+07 0.000e+00 a 0 0 0 0 0 >> 337 0.879 20.937 6.696 1 T 2.065e+07 0.000e+00 a 0 0 0 0 0 >> 338 0.875 20.874 7.244 1 T 3.669e+07 0.000e+00 a 0 0 0 0 0 >> 339 0.878 22.159 7.867 8 T 1.414e+07 0.000e+00 a 0 0 0 0 0 >>5339 0.878 22.159 7.867 8 T 1.414e+07 0.000e+00 a 0 0 0 0 0 >> 340 1.452 46.282 6.694 1 T 6.684e+06 0.000e+00 a 0 0 0 0 0 >> 341 1.079 46.349 6.680 1 T 6.482e+06 0.000e+00 a 0 0 0 0 0 >> 342 1.071 46.404 7.830 1 T 3.088e+06 0.000e+00 a 0 0 0 0 0 >> 343 1.447 46.290 7.805 1 T 2.989e+06 0.000e+00 a 0 0 0 0 0 >> 344 1.517 27.120 6.700 1 T 9.152e+06 0.000e+00 a 0 0 0 0 0 >> 345 1.519 27.177 7.824 1 T 1.322e+07 0.000e+00 a 0 0 0 0 0 >> 346 0.855 26.014 6.685 1 T 1.268e+07 0.000e+00 a 0 0 0 0 0 >> 347 0.854 26.117 7.839 1 T 3.287e+07 0.000e+00 a 0 0 0 0 0 >> 349 0.811 26.005 7.835 1 T 2.175e+07 0.000e+00 a 0 0 0 0 0 >> 350 0.801 26.490 7.136 1 T 1.808e+07 0.000e+00 a 0 0 0 0 0 >> 351 3.132 38.914 7.151 1 T 2.230e+07 0.000e+00 a 0 0 0 0 0 >> 352 2.976 38.875 7.153 1 T 2.703e+07 0.000e+00 a 0 0 0 0 0 >> 353 2.978 38.451 7.701 1 T 4.516e+06 0.000e+00 a 0 0 0 0 0 >> 354 3.147 38.916 7.988 1 T 3.796e+06 0.000e+00 a 0 0 0 0 0 >> 356 2.979 39.091 7.990 1 T 6.873e+06 0.000e+00 a 0 0 0 0 0 >> 357 2.981 38.527 6.928 1 T 3.949e+06 0.000e+00 a 0 0 0 0 0 >> 358 2.988 38.408 5.017 1 T 9.414e+06 0.000e+00 a 0 0 0 0 0 >> 359 2.872 38.346 5.014 1 T 1.031e+07 0.000e+00 a 0 0 0 0 0 >> 360 2.868 38.255 6.899 1 T 4.340e+06 0.000e+00 a 0 0 0 0 0 >> 361 2.867 38.322 7.707 1 T 6.888e+06 0.000e+00 a 0 0 0 0 0 >> 362 2.865 38.469 9.664 1 T 5.413e+06 0.000e+00 a 0 0 0 0 0 >> 365 2.983 37.868 9.664 1 T 3.085e+06 0.000e+00 a 0 0 0 0 0 >> 366 5.013 51.557 9.664 1 T 4.593e+06 0.000e+00 a 0 0 0 0 0 >> 367 1.439 46.317 9.664 1 T 2.717e+06 0.000e+00 a 0 0 0 0 0 >> 368 1.076 46.418 9.664 1 T 2.610e+06 0.000e+00 a 0 0 0 0 0 >> 370 0.852 26.157 9.664 1 T 1.098e+07 0.000e+00 a 0 0 0 0 0 >> 372 4.227 66.313 7.835 1 T 6.864e+06 0.000e+00 a 0 0 0 0 0 >> 373 4.219 66.250 8.331 1 T 2.898e+06 0.000e+00 a 0 0 0 0 0 >> 374 2.681 39.905 7.755 1 T 1.144e+07 0.000e+00 a 0 0 0 0 0 >> 375 2.629 39.820 7.775 8 T 4.602e+06 0.000e+00 a 0 0 0 0 0 >>5375 2.629 39.820 7.775 8 T 4.602e+06 0.000e+00 a 0 0 0 0 0 >> 376 2.637 39.869 8.337 1 T 9.647e+06 0.000e+00 a 0 0 0 0 0 >> 381 2.044 42.562 7.705 8 T 6.270e+06 0.000e+00 a 0 0 0 0 0 >>5381 2.044 42.562 7.705 8 T 6.270e+06 0.000e+00 a 0 0 0 0 0 >> 382 1.675 42.526 7.701 8 T 5.495e+06 0.000e+00 a 0 0 0 0 0 >>5382 1.675 42.526 7.701 8 T 5.495e+06 0.000e+00 a 0 0 0 0 0 >> 383 2.251 29.597 4.165 1 T 2.054e+07 0.000e+00 a 0 0 0 0 0 >> 384 1.788 30.095 7.840 1 T 1.226e+07 0.000e+00 a 0 0 0 0 0 >> 385 2.249 30.241 7.848 1 T 1.397e+07 0.000e+00 a 0 0 0 0 0 >> 387 2.124 37.058 7.835 1 T 7.272e+06 0.000e+00 a 0 0 0 0 0 >> 388 2.034 37.087 7.840 1 T 6.755e+06 0.000e+00 a 0 0 0 0 0 >> 389 2.030 37.055 1.490 1 T 3.852e+06 0.000e+00 a 0 0 0 0 0 >> 390 2.127 37.170 1.507 1 T 3.596e+06 0.000e+00 a 0 0 0 0 0 >> 391 3.994 59.302 7.859 1 T 1.458e+07 0.000e+00 a 0 0 0 0 0 >> 392 2.206 28.856 7.665 1 T 2.347e+07 0.000e+00 a 0 0 0 0 0 >> 393 2.207 28.720 7.516 1 T 1.582e+07 0.000e+00 a 0 0 0 0 0 >> 394 2.200 28.828 7.838 1 T 9.912e+06 0.000e+00 a 0 0 0 0 0 >> 395 2.523 34.123 6.721 1 T 7.238e+06 0.000e+00 a 0 0 0 0 0 >> 396 2.385 34.358 6.715 1 T 4.863e+06 0.000e+00 a 0 0 0 0 0 >> 397 2.525 34.332 7.358 1 T 9.532e+06 0.000e+00 a 0 0 0 0 0 >> 398 2.531 34.340 7.671 1 T 2.457e+07 0.000e+00 a 0 0 0 0 0 >> 399 2.389 34.227 7.670 1 T 2.158e+07 0.000e+00 a 0 0 0 0 0 >> 401 2.535 34.441 8.604 1 T 1.042e+07 0.000e+00 a 0 0 0 0 0 >> 402 2.411 34.585 8.582 1 T 1.067e+07 0.000e+00 a 0 0 0 0 0 >> 403 3.873 64.571 7.984 1 T 1.118e+07 0.000e+00 a 0 0 0 0 0 >> 405 0.882 22.254 7.524 1 T 1.683e+07 0.000e+00 a 0 0 0 0 0 >> 406 0.959 22.440 7.515 1 T 3.474e+07 0.000e+00 a 0 0 0 0 0 >> 407 0.937 21.480 7.985 1 T 4.495e+07 0.000e+00 a 0 0 0 0 0 >> 408 0.939 21.683 8.718 8 T 1.357e+07 0.000e+00 a 0 0 0 0 0 >>5408 0.939 21.683 8.718 8 T 1.357e+07 0.000e+00 a 0 0 0 0 0 >> 409 0.956 22.420 7.860 8 T 1.499e+07 0.000e+00 a 0 0 0 0 0 >>5409 0.956 22.420 7.860 8 T 1.499e+07 0.000e+00 a 0 0 0 0 0 >> 411 4.222 55.071 7.876 1 T 1.158e+07 0.000e+00 a 0 0 0 0 0 >> 412 4.321 54.570 7.941 1 T 1.074e+07 0.000e+00 a 0 0 0 0 0 >> 413 1.533 42.687 1.779 1 T 1.425e+07 0.000e+00 a 0 0 0 0 0 >> 414 1.527 42.803 4.272 1 T 5.513e+06 0.000e+00 a 0 0 0 0 0 >> 415 1.517 42.738 4.277 1 T 5.531e+06 0.000e+00 a 0 0 0 0 0 >> 419 0.759 22.734 7.985 1 T 1.533e+07 0.000e+00 a 0 0 0 0 0 >> 420 4.868 52.123 7.978 8 T 2.668e+06 0.000e+00 a 0 0 0 0 0 >>5420 4.868 52.123 7.978 8 T 2.668e+06 0.000e+00 a 0 0 0 0 0 >> 421 4.350 64.171 8.690 1 T 3.614e+06 0.000e+00 a 0 0 0 0 0 >> 422 1.924 27.054 4.871 1 T 7.343e+06 0.000e+00 a 0 0 0 0 0 >> 423 2.036 27.120 4.861 1 T 8.566e+06 0.000e+00 a 0 0 0 0 0 >> 424 2.025 27.146 8.733 1 T 7.992e+06 0.000e+00 a 0 0 0 0 0 >> 425 1.926 27.103 8.685 1 T 4.959e+06 0.000e+00 a 0 0 0 0 0 >> 426 1.921 27.384 6.375 1 T 4.136e+06 0.000e+00 a 0 0 0 0 0 >> 428 2.794 39.306 8.692 1 T 7.152e+06 0.000e+00 a 0 0 0 0 0 >> 429 2.833 39.291 8.686 1 T 9.366e+06 0.000e+00 a 0 0 0 0 0 >> 431 1.573 27.689 7.679 8 T 5.660e+06 0.000e+00 a 0 0 0 0 0 >>5431 1.573 27.689 7.679 8 T 5.660e+06 0.000e+00 a 0 0 0 0 0 >> 434 0.987 25.083 7.706 8 T 1.384e+07 0.000e+00 a 0 0 0 0 0 >>5434 0.987 25.083 7.706 8 T 1.384e+07 0.000e+00 a 0 0 0 0 0 >> 436 0.987 25.359 8.692 1 T 3.681e+07 0.000e+00 a 0 0 0 0 0 >> 437 1.094 25.110 8.712 1 T 3.769e+07 0.000e+00 a 0 0 0 0 0 >> 439 0.919 24.507 7.994 8 T 2.818e+07 0.000e+00 a 0 0 0 0 0 >>5439 0.919 24.507 7.994 8 T 2.818e+07 0.000e+00 a 0 0 0 0 0 >> 443 2.227 32.787 7.984 8 T 9.390e+06 0.000e+00 a 0 0 0 0 0 >>5443 2.227 32.787 7.984 8 T 9.390e+06 0.000e+00 a 0 0 0 0 0 >> 445 0.963 21.031 7.991 8 T 2.722e+07 0.000e+00 a 0 0 0 0 0 >>5445 0.963 21.031 7.991 8 T 2.722e+07 0.000e+00 a 0 0 0 0 0 >> 446 2.004 38.699 7.686 8 T 3.845e+06 0.000e+00 a 0 0 0 0 0 >>5446 2.004 38.699 7.686 8 T 3.845e+06 0.000e+00 a 0 0 0 0 0 >> 448 1.329 27.523 7.688 8 T 4.045e+06 0.000e+00 a 0 0 0 0 0 >>5448 1.329 27.523 7.688 8 T 4.045e+06 0.000e+00 a 0 0 0 0 0 >> 449 1.274 27.182 7.828 1 T 1.075e+07 0.000e+00 a 0 0 0 0 0 >> 450 1.083 18.314 7.280 1 T 1.683e+07 0.000e+00 a 0 0 0 0 0 >> 451 1.083 18.294 7.699 8 T 8.900e+06 0.000e+00 a 0 0 0 0 0 >>5451 1.083 18.294 7.699 8 T 8.900e+06 0.000e+00 a 0 0 0 0 0 >> 452 1.084 18.339 7.989 8 T 5.855e+06 0.000e+00 a 0 0 0 0 0 >>5452 1.084 18.339 7.989 8 T 5.855e+06 0.000e+00 a 0 0 0 0 0 >> 453 1.084 18.334 8.477 8 T 8.300e+06 0.000e+00 a 0 0 0 0 0 >>5453 1.084 18.334 8.477 8 T 8.300e+06 0.000e+00 a 0 0 0 0 0 >> 454 0.942 12.638 7.693 8 T 7.830e+06 0.000e+00 a 0 0 0 0 0 >>5454 0.942 12.638 7.693 8 T 7.830e+06 0.000e+00 a 0 0 0 0 0 >> 455 0.882 12.882 7.666 1 T 2.272e+07 0.000e+00 a 0 0 0 0 0 >> 456 0.944 12.677 7.993 8 T 4.546e+06 0.000e+00 a 0 0 0 0 0 >>5456 0.944 12.677 7.993 8 T 4.546e+06 0.000e+00 a 0 0 0 0 0 >> 457 0.881 12.845 8.008 8 T 2.684e+06 0.000e+00 a 0 0 0 0 0 >>5457 0.881 12.845 8.008 8 T 2.684e+06 0.000e+00 a 0 0 0 0 0 >> 458 0.883 12.819 8.182 1 T 1.109e+07 0.000e+00 a 0 0 0 0 0 >> 460 0.880 12.919 7.279 1 T 7.856e+06 0.000e+00 a 0 0 0 0 0 >> 461 0.881 12.868 7.130 1 T 9.833e+06 0.000e+00 a 0 0 0 0 0 >> 465 4.267 60.968 8.457 1 T 6.186e+06 0.000e+00 a 0 0 0 0 0 >> 467 2.111 31.480 7.654 1 T 1.103e+07 0.000e+00 a 0 0 0 0 0 >> 468 1.825 31.344 7.657 1 T 7.549e+06 0.000e+00 a 0 0 0 0 0 >> 469 1.826 30.049 7.660 1 T 5.746e+06 0.000e+00 a 0 0 0 0 0 >> 470 3.886 62.744 1.881 1 T 1.273e+07 0.000e+00 a 0 0 0 0 0 >> 472 1.816 33.091 8.483 8 T 4.046e+06 0.000e+00 a 0 0 0 0 0 >>5472 1.816 33.091 8.483 8 T 4.046e+06 0.000e+00 a 0 0 0 0 0 >> 473 1.773 33.029 8.483 8 T 3.406e+06 0.000e+00 a 0 0 0 0 0 >>5473 1.773 33.029 8.483 8 T 3.406e+06 0.000e+00 a 0 0 0 0 0 >> 475 2.963 42.316 8.183 1 T 1.437e+07 0.000e+00 a 0 0 0 0 0 >> 476 4.209 57.368 7.704 8 T 7.790e+06 0.000e+00 a 0 0 0 0 0 >>5476 4.209 57.368 7.704 8 T 7.790e+06 0.000e+00 a 0 0 0 0 0 >> 477 1.996 30.050 7.278 1 T 1.185e+07 0.000e+00 a 0 0 0 0 0 >> 478 1.659 27.792 7.282 1 T 7.694e+06 0.000e+00 a 0 0 0 0 0 >> 479 1.803 27.762 7.278 1 T 1.922e+07 0.000e+00 a 0 0 0 0 0 >> 480 3.446 67.003 8.323 1 T 4.262e+06 0.000e+00 a 0 0 0 0 0 >> 482 1.141 24.407 8.298 1 T 2.174e+07 0.000e+00 a 0 0 0 0 0 >> 483 1.135 24.256 7.742 1 T 9.215e+06 0.000e+00 a 0 0 0 0 0 >> 484 4.003 48.007 7.750 1 T 6.010e+06 0.000e+00 a 0 0 0 0 0 >> 486 3.513 47.946 7.752 1 T 6.543e+06 0.000e+00 a 0 0 0 0 0 >> 487 3.508 48.060 8.340 1 T 2.928e+06 0.000e+00 a 0 0 0 0 0 >> 488 3.765 66.380 7.661 1 T 6.399e+06 0.000e+00 a 0 0 0 0 0 >> 489 1.102 23.373 7.658 1 T 5.190e+07 0.000e+00 a 0 0 0 0 0 >> 490 1.104 23.356 7.866 1 T 2.148e+07 0.000e+00 a 0 0 0 0 0 >> 491 1.108 22.470 8.443 1 T 2.277e+07 0.000e+00 a 0 0 0 0 0 >> 492 1.489 41.109 7.855 1 T 3.509e+06 0.000e+00 a 0 0 0 0 0 >> 495 3.548 58.838 8.251 1 T 6.997e+06 0.000e+00 a 0 0 0 0 0 >> 496 3.558 58.384 7.825 1 T 4.644e+06 0.000e+00 a 0 0 0 0 0 >> 497 3.563 58.243 8.373 1 T 4.879e+06 0.000e+00 a 0 0 0 0 0 >> 498 1.880 40.874 8.374 1 T 3.144e+06 0.000e+00 a 0 0 0 0 0 >> 499 1.151 40.949 8.372 1 T 2.889e+06 0.000e+00 a 0 0 0 0 0 >> 503 0.704 26.097 8.366 1 T 1.103e+07 0.000e+00 a 0 0 0 0 0 >> 505 0.359 22.380 6.636 8 T 1.002e+07 0.000e+00 a 0 0 0 0 0 >>5505 0.359 22.380 6.636 8 T 1.002e+07 0.000e+00 a 0 0 0 0 0 >> 506 0.363 22.377 6.504 8 T 5.235e+06 0.000e+00 a 0 0 0 0 0 >>5506 0.363 22.377 6.504 8 T 5.235e+06 0.000e+00 a 0 0 0 0 0 >> 507 0.359 22.404 6.943 8 T 1.749e+07 0.000e+00 a 0 0 0 0 0 >>5507 0.359 22.404 6.943 8 T 1.749e+07 0.000e+00 a 0 0 0 0 0 >> 508 0.358 22.414 7.806 1 T 1.204e+07 0.000e+00 a 0 0 0 0 0 >> 509 0.356 22.408 8.377 8 T 9.570e+06 0.000e+00 a 0 0 0 0 0 >>5509 0.356 22.408 8.377 8 T 9.570e+06 0.000e+00 a 0 0 0 0 0 >> 511 0.363 22.436 7.699 8 T 4.206e+06 0.000e+00 a 0 0 0 0 0 >>5511 0.363 22.436 7.699 8 T 4.206e+06 0.000e+00 a 0 0 0 0 0 >> 512 2.511 40.162 7.817 1 T 7.995e+06 0.000e+00 a 0 0 0 0 0 >> 513 2.881 40.025 7.798 8 T 4.522e+06 0.000e+00 a 0 0 0 0 0 >>5513 2.881 40.025 7.798 8 T 4.522e+06 0.000e+00 a 0 0 0 0 0 >> 515 2.932 40.258 8.734 1 T 1.059e+07 0.000e+00 a 0 0 0 0 0 >> 517 3.458 65.486 8.172 1 T 6.755e+06 0.000e+00 a 0 0 0 0 0 >> 518 1.837 38.511 8.173 1 T 4.545e+06 0.000e+00 a 0 0 0 0 0 >> 520 0.761 17.418 8.404 1 T 1.432e+07 0.000e+00 a 0 0 0 0 0 >> 521 0.763 17.379 8.156 1 T 1.768e+07 0.000e+00 a 0 0 0 0 0 >> 523 0.760 17.393 7.234 1 T 4.278e+06 0.000e+00 a 0 0 0 0 0 >> 524 0.703 14.777 7.834 1 T 1.447e+07 0.000e+00 a 0 0 0 0 0 >> 525 0.702 14.662 7.676 1 T 8.122e+06 0.000e+00 a 0 0 0 0 0 >> 526 0.693 14.789 7.516 1 T 4.284e+06 0.000e+00 a 0 0 0 0 0 >> 527 0.700 14.796 8.157 1 T 1.753e+07 0.000e+00 a 0 0 0 0 0 >> 528 0.696 14.761 8.385 1 T 5.848e+06 0.000e+00 a 0 0 0 0 0 >> 529 0.811 27.115 6.929 8 T 9.125e+06 0.000e+00 a 0 0 0 0 0 >>5529 0.811 27.115 6.929 8 T 9.125e+06 0.000e+00 a 0 0 0 0 0 >> 530 0.810 26.883 8.411 1 T 1.737e+07 0.000e+00 a 0 0 0 0 0 >> 531 0.806 27.062 6.501 8 T 5.325e+06 0.000e+00 a 0 0 0 0 0 >>5531 0.806 27.062 6.501 8 T 5.325e+06 0.000e+00 a 0 0 0 0 0 >> 533 0.790 26.593 7.505 1 T 1.736e+07 0.000e+00 a 0 0 0 0 0 >> 535 0.943 23.518 3.992 1 T 5.519e+07 0.000e+00 a 0 0 0 0 0 >> 538 0.944 23.639 4.202 1 T 1.447e+08 0.000e+00 a 0 0 0 0 0 >> 539 0.926 23.027 3.228 1 T 3.895e+07 0.000e+00 a 0 0 0 0 0 >> 540 0.941 23.659 7.704 1 T 3.946e+07 0.000e+00 a 0 0 0 0 0 >> 541 2.676 58.456 7.823 1 T 4.837e+06 0.000e+00 a 0 0 0 0 0 >> 543 1.398 33.487 7.827 1 T 7.198e+06 0.000e+00 a 0 0 0 0 0 >> 544 1.403 33.486 6.886 1 T 4.944e+06 0.000e+00 a 0 0 0 0 0 >> 545 1.388 33.427 6.336 1 T 3.103e+06 0.000e+00 a 0 0 0 0 0 >> 550 4.524 62.565 7.676 1 T 7.599e+06 0.000e+00 a 0 0 0 0 0 >> 551 4.443 69.923 7.709 1 T 4.202e+06 0.000e+00 a 0 0 0 0 0 >> 552 1.357 21.851 7.953 1 T 2.693e+07 0.000e+00 a 0 0 0 0 0 >> 553 1.383 22.503 7.694 1 T 3.631e+07 0.000e+00 a 0 0 0 0 0 >> 555 1.384 22.469 7.247 8 T 9.235e+06 0.000e+00 a 0 0 0 0 0 >>5555 1.384 22.469 7.247 8 T 9.235e+06 0.000e+00 a 0 0 0 0 0 >> 556 4.010 46.757 7.826 1 T 4.790e+06 0.000e+00 a 0 0 0 0 0 >> 557 4.352 46.843 7.828 1 T 5.057e+06 0.000e+00 a 0 0 0 0 0 >> 559 4.051 59.607 8.727 1 T 9.621e+06 0.000e+00 a 0 0 0 0 0 >> 560 4.094 60.143 8.602 1 T 8.063e+06 0.000e+00 a 0 0 0 0 0 >> 561 4.056 60.012 8.184 1 T 1.122e+07 0.000e+00 a 0 0 0 0 0 >> 562 1.998 32.268 7.172 1 T 5.397e+06 0.000e+00 a 0 0 0 0 0 >> 563 1.845 32.316 7.172 1 T 6.808e+06 0.000e+00 a 0 0 0 0 0 >> 564 1.844 32.520 8.597 1 T 9.658e+06 0.000e+00 a 0 0 0 0 0 >> 565 2.005 32.380 8.593 1 T 1.085e+07 0.000e+00 a 0 0 0 0 0 >> 566 1.675 25.592 8.599 1 T 7.015e+06 0.000e+00 a 0 0 0 0 0 >> 567 1.572 25.571 8.606 1 T 7.540e+06 0.000e+00 a 0 0 0 0 0 >> 568 1.816 28.941 8.729 1 T 1.209e+07 0.000e+00 a 0 0 0 0 0 >> 569 1.816 29.647 8.608 8 T 3.510e+06 0.000e+00 a 0 0 0 0 0 >>5569 1.816 29.647 8.608 8 T 3.510e+06 0.000e+00 a 0 0 0 0 0 >> 570 3.762 48.052 7.171 1 T 3.847e+06 0.000e+00 a 0 0 0 0 0 >> 571 4.318 47.977 7.169 1 T 2.450e+06 0.000e+00 a 0 0 0 0 0 >> 572 3.446 61.888 5.732 1 T 4.063e+06 0.000e+00 a 0 0 0 0 0 >> 573 3.448 61.987 6.892 8 T 2.275e+06 0.000e+00 a 0 0 0 0 0 >>5573 3.448 61.987 6.892 8 T 2.275e+06 0.000e+00 a 0 0 0 0 0 >> 574 3.447 61.907 7.591 1 T 2.881e+06 0.000e+00 a 0 0 0 0 0 >> 575 1.816 37.364 3.461 1 T 4.900e+06 0.000e+00 a 0 0 0 0 0 >> 576 1.806 37.674 5.748 1 T 3.012e+06 0.000e+00 a 0 0 0 0 0 >> 577 3.450 61.847 1.823 1 T 4.497e+06 0.000e+00 a 0 0 0 0 0 >> 578 3.453 61.829 0.896 1 T 6.486e+06 0.000e+00 a 0 0 0 0 0 >> 580 2.751 37.501 7.594 1 T 2.705e+06 0.000e+00 a 0 0 0 0 0 >> 581 1.820 37.350 7.663 1 T 5.469e+06 0.000e+00 a 0 0 0 0 0 >> 582 1.841 37.324 8.183 1 T 4.939e+06 0.000e+00 a 0 0 0 0 0 >> 583 1.828 37.308 2.747 1 T 2.784e+06 0.000e+00 a 0 0 0 0 0 >> 584 3.223 66.694 5.753 1 T 3.903e+06 0.000e+00 a 0 0 0 0 0 >> 585 3.226 66.585 8.077 1 T 5.940e+06 0.000e+00 a 0 0 0 0 0 >> 586 3.229 66.569 8.226 1 T 6.240e+06 0.000e+00 a 0 0 0 0 0 >> 588 0.986 22.494 8.224 1 T 1.991e+07 0.000e+00 a 0 0 0 0 0 >> 589 0.988 22.417 8.070 1 T 2.138e+07 0.000e+00 a 0 0 0 0 0 >> 590 0.930 23.243 5.748 1 T 1.876e+07 0.000e+00 a 0 0 0 0 0 >> 591 0.921 23.406 8.428 1 T 1.733e+07 0.000e+00 a 0 0 0 0 0 >> 593 4.104 55.620 8.216 1 T 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5.149e+06 0.000e+00 a 0 0 0 0 0 >> 806 3.910 66.281 8.578 1 T 6.843e+06 0.000e+00 a 0 0 0 0 0 >> 808 4.475 44.974 8.169 1 T 4.663e+06 0.000e+00 a 0 0 0 0 0 >> 809 4.465 45.106 8.906 1 T 4.862e+06 0.000e+00 a 0 0 0 0 0 >> 810 4.128 45.239 8.889 1 T 4.226e+06 0.000e+00 a 0 0 0 0 0 >> 811 3.894 59.607 7.570 1 T 1.095e+07 0.000e+00 a 0 0 0 0 0 >> 812 2.306 37.761 8.917 1 T 5.687e+06 0.000e+00 a 0 0 0 0 0 >> 814 2.239 37.603 8.904 1 T 6.781e+06 0.000e+00 a 0 0 0 0 0 >> 816 4.004 46.225 8.066 1 T 4.739e+06 0.000e+00 a 0 0 0 0 0 >> 817 0.537 21.480 7.282 1 T 5.975e+06 0.000e+00 a 0 0 0 0 0 >> 818 0.543 20.809 6.850 1 T 8.528e+06 0.000e+00 a 0 0 0 0 0 >> 821 3.481 67.651 8.719 1 T 9.821e+06 0.000e+00 a 0 0 0 0 0 >> 822 4.146 68.299 7.575 1 T 6.174e+06 0.000e+00 a 0 0 0 0 0 >> 823 4.147 68.284 8.452 1 T 5.655e+06 0.000e+00 a 0 0 0 0 0 >> 824 1.107 22.638 8.679 1 T 1.563e+07 0.000e+00 a 0 0 0 0 0 >> 825 4.021 59.305 7.595 1 T 9.936e+06 0.000e+00 a 0 0 0 0 0 >> 826 2.167 28.367 7.567 1 T 3.501e+07 0.000e+00 a 0 0 0 0 0 >> 827 2.477 34.009 6.803 1 T 7.942e+06 0.000e+00 a 0 0 0 0 0 >> 828 2.476 33.889 7.569 1 T 2.272e+07 0.000e+00 a 0 0 0 0 0 >> 829 2.437 33.893 7.578 1 T 2.142e+07 0.000e+00 a 0 0 0 0 0 >> 831 2.496 34.084 7.992 1 T 2.682e+07 0.000e+00 a 0 0 0 0 0 >> 832 2.417 34.389 8.061 1 T 1.877e+07 0.000e+00 a 0 0 0 0 0 >> 833 1.591 41.508 7.499 1 T 5.537e+06 0.000e+00 a 0 0 0 0 0 >> 834 1.599 41.749 8.684 1 T 4.154e+06 0.000e+00 a 0 0 0 0 0 >> 836 1.859 41.766 8.682 1 T 4.151e+06 0.000e+00 a 0 0 0 0 0 >> 837 0.788 26.515 6.814 1 T 2.146e+07 0.000e+00 a 0 0 0 0 0 >> 838 1.087 42.947 8.688 1 T 3.007e+06 0.000e+00 a 0 0 0 0 0 >> 839 0.739 27.718 8.687 1 T 2.248e+07 0.000e+00 a 0 0 0 0 0 >> 840 0.626 23.669 8.687 1 T 2.875e+07 0.000e+00 a 0 0 0 0 0 >> 841 2.270 33.133 8.687 1 T 1.049e+07 0.000e+00 a 0 0 0 0 0 >> 842 2.114 33.192 8.684 1 T 1.092e+07 0.000e+00 a 0 0 0 0 0 >> 845 2.113 33.153 7.952 1 T 7.176e+06 0.000e+00 a 0 0 0 0 0 >> 846 2.831 32.261 7.137 1 T 4.152e+06 0.000e+00 a 0 0 0 0 0 >> 847 2.127 18.570 6.754 1 T 1.853e+07 0.000e+00 a 0 0 0 0 0 >> 849 2.128 18.582 7.136 1 T 2.314e+07 0.000e+00 a 0 0 0 0 0 >> 850 2.102 18.517 7.130 1 T 2.426e+06 0.000e+00 a 0 0 0 0 0 >> 853 2.126 18.589 7.941 1 T 2.282e+07 0.000e+00 a 0 0 0 0 0 >> 855 2.126 18.556 8.689 1 T 2.380e+07 0.000e+00 a 0 0 0 0 0 >> 856 4.369 68.985 8.704 1 T 5.721e+06 0.000e+00 a 0 0 0 0 0 >> 857 4.367 68.941 8.420 1 T 7.573e+06 0.000e+00 a 0 0 0 0 0 >> 858 4.371 69.107 7.956 1 T 1.322e+07 0.000e+00 a 0 0 0 0 0 >> 859 4.374 69.069 7.759 1 T 7.436e+06 0.000e+00 a 0 0 0 0 0 >> 860 1.357 21.979 7.763 1 T 1.823e+07 0.000e+00 a 0 0 0 0 0 >> 865 3.442 67.765 8.697 1 T 6.618e+06 0.000e+00 a 0 0 0 0 0 >> 866 2.250 31.819 8.695 1 T 1.413e+07 0.000e+00 a 0 0 0 0 0 >> 868 0.746 21.193 7.935 1 T 1.390e+07 0.000e+00 a 0 0 0 0 0 >> 869 4.244 59.102 8.719 1 T 1.019e+07 0.000e+00 a 0 0 0 0 0 >> 870 4.237 59.151 7.896 1 T 1.025e+07 0.000e+00 a 0 0 0 0 0 >> 871 4.467 59.633 7.908 1 T 1.686e+07 0.000e+00 a 0 0 0 0 0 >> 872 2.077 16.708 7.941 1 T 2.551e+07 0.000e+00 a 0 0 0 0 0 >> 873 2.076 16.703 8.188 1 T 1.162e+07 0.000e+00 a 0 0 0 0 0 >> 874 1.077 28.421 9.005 1 T 1.077e+07 0.000e+00 a 0 0 0 0 0 >> 875 1.078 28.424 8.846 1 T 1.474e+07 0.000e+00 a 0 0 0 0 0 >> 877 1.085 28.382 7.934 1 T 5.290e+06 0.000e+00 a 0 0 0 0 0 >> 878 1.076 28.433 7.628 1 T 6.343e+06 0.000e+00 a 0 0 0 0 0 >> 879 1.080 28.382 6.744 1 T 6.282e+06 0.000e+00 a 0 0 0 0 0 >> 880 0.891 23.048 8.753 1 T 4.291e+07 0.000e+00 a 0 0 0 0 0 >> 881 2.358 28.147 7.568 1 T 5.571e+06 0.000e+00 a 0 0 0 0 0 >> 882 2.346 28.408 7.991 1 T 1.590e+07 0.000e+00 a 0 0 0 0 0 >> 883 2.344 28.378 8.736 1 T 1.373e+07 0.000e+00 a 0 0 0 0 0 >> 884 2.357 28.020 9.008 1 T 4.726e+06 0.000e+00 a 0 0 0 0 0 >> 885 2.798 35.338 9.030 1 T 3.740e+06 0.000e+00 a 0 0 0 0 0 >> 886 2.795 35.308 7.657 1 T 4.012e+06 0.000e+00 a 0 0 0 0 0 >> 887 2.811 35.432 6.735 1 T 3.151e+06 0.000e+00 a 0 0 0 0 0 >> 888 2.054 32.062 7.578 1 T 1.459e+07 0.000e+00 a 0 0 0 0 0 >> 889 2.036 32.005 7.904 1 T 1.578e+07 0.000e+00 a 0 0 0 0 0 >> 890 1.703 25.521 8.182 1 T 1.093e+07 0.000e+00 a 0 0 0 0 0 >> 894 4.244 58.264 7.279 1 T 6.829e+06 0.000e+00 a 0 0 0 0 0 >> 895 2.102 31.948 7.895 1 T 1.240e+07 0.000e+00 a 0 0 0 0 0 >> 901 1.093 25.132 7.911 1 T 1.301e+07 0.000e+00 a 0 0 0 0 0 >> 902 4.055 59.657 8.412 1 T 5.765e+06 0.000e+00 a 0 0 0 0 0 >> 903 2.275 28.383 7.992 1 T 1.803e+07 0.000e+00 a 0 0 0 0 0 >> 904 2.279 28.340 8.728 1 T 1.436e+07 0.000e+00 a 0 0 0 0 0 >> 906 2.552 34.073 8.727 1 T 1.399e+07 0.000e+00 a 0 0 0 0 0 >> 907 2.500 34.083 8.727 1 T 1.566e+07 0.000e+00 a 0 0 0 0 0 >> 908 2.040 32.841 8.179 1 T 1.025e+07 0.000e+00 a 0 0 0 0 0 >> 909 1.926 32.862 8.182 1 T 1.038e+07 0.000e+00 a 0 0 0 0 0 >> 910 4.447 57.687 8.731 1 T 1.345e+07 0.000e+00 a 0 0 0 0 0 >> 911 2.703 40.255 8.737 1 T 1.093e+07 0.000e+00 a 0 0 0 0 0 >> 912 4.157 58.297 7.275 1 T 1.010e+07 0.000e+00 a 0 0 0 0 0 >> 913 4.156 58.415 8.690 1 T 1.482e+07 0.000e+00 a 0 0 0 0 0 >> 914 1.356 43.534 8.727 1 T 3.492e+06 0.000e+00 a 0 0 0 0 0 >> 915 0.974 27.780 8.747 1 T 1.958e+07 0.000e+00 a 0 0 0 0 0 >> 916 0.975 27.823 8.418 1 T 8.876e+06 0.000e+00 a 0 0 0 0 0 >> 917 3.868 67.487 8.708 1 T 3.000e+06 0.000e+00 a 0 0 0 0 0 >> 918 3.855 67.596 8.419 1 T 6.096e+06 0.000e+00 a 0 0 0 0 0 >> 919 3.867 67.618 8.008 8 T 2.394e+06 0.000e+00 a 0 0 0 0 0 >>5919 3.867 67.618 8.008 8 T 2.394e+06 0.000e+00 a 0 0 0 0 0 >> 920 3.858 67.552 7.888 1 T 5.516e+06 0.000e+00 a 0 0 0 0 0 >> 921 1.302 21.182 7.877 1 T 2.385e+07 0.000e+00 a 0 0 0 0 0 >> 922 1.300 21.203 8.420 1 T 2.699e+07 0.000e+00 a 0 0 0 0 0 >> 923 1.295 21.320 8.750 1 T 8.368e+06 0.000e+00 a 0 0 0 0 0 >> 925 4.236 55.058 7.699 8 T 2.410e+06 0.000e+00 a 0 0 0 0 0 >>5925 4.236 55.058 7.699 8 T 2.410e+06 0.000e+00 a 0 0 0 0 0 >> 926 1.587 18.063 8.749 1 T 8.294e+06 0.000e+00 a 0 0 0 0 0 >> 927 1.588 18.059 8.431 1 T 1.028e+07 0.000e+00 a 0 0 0 0 0 >> 928 1.586 18.063 7.876 1 T 9.402e+07 0.000e+00 a 0 0 0 0 0 >> 930 1.587 18.052 7.704 8 T 2.216e+07 0.000e+00 a 0 0 0 0 0 >>5930 1.587 18.052 7.704 8 T 2.216e+07 0.000e+00 a 0 0 0 0 0 >> 933 2.044 42.564 8.006 8 T 3.058e+06 0.000e+00 a 0 0 0 0 0 >>5933 2.044 42.564 8.006 8 T 3.058e+06 0.000e+00 a 0 0 0 0 0 >> 934 1.743 42.677 7.997 8 T 8.480e+06 0.000e+00 a 0 0 0 0 0 >>5934 1.743 42.677 7.997 8 T 8.480e+06 0.000e+00 a 0 0 0 0 0 >> 935 1.853 26.899 7.705 8 T 9.830e+06 0.000e+00 a 0 0 0 0 0 >>5935 1.853 26.899 7.705 8 T 9.830e+06 0.000e+00 a 0 0 0 0 0 >> 936 1.843 27.001 7.993 1 T 9.442e+06 0.000e+00 a 0 0 0 0 0 >> 939 1.835 42.677 7.993 8 T 7.730e+06 0.000e+00 a 0 0 0 0 0 >>5939 1.835 42.677 7.993 8 T 7.730e+06 0.000e+00 a 0 0 0 0 0 >> 941 0.994 25.537 8.696 1 T 3.816e+07 0.000e+00 a 0 0 0 0 0 >> 944 1.848 32.854 8.009 1 T 6.510e+06 0.000e+00 a 0 0 0 0 0 >> 945 1.949 33.108 8.009 1 T 6.476e+06 0.000e+00 a 0 0 0 0 0 >> 947 1.506 24.940 3.936 1 T 2.291e+07 0.000e+00 a 0 0 0 0 0 >> 949 1.518 24.995 7.570 1 T 2.152e+07 0.000e+00 a 0 0 0 0 0 >> 950 4.721 54.637 7.857 1 T 1.444e+07 0.000e+00 a 0 0 0 0 0 >> 951 4.391 55.998 7.869 1 T 1.399e+07 0.000e+00 a 0 0 0 0 0 >> 952 2.649 42.622 7.856 1 T 5.203e+06 0.000e+00 a 0 0 0 0 0 >> 955 2.616 42.228 7.869 1 T 7.695e+06 0.000e+00 a 0 0 0 0 0 >> 956 4.456 54.009 2.355 1 T 5.988e+06 0.000e+00 a 0 0 0 0 0 >> 957 4.472 54.194 1.554 1 T 6.718e+06 0.000e+00 a 0 0 0 0 0 >> 959 2.301 35.624 4.468 1 T 1.107e+07 0.000e+00 a 0 0 0 0 0 >> 960 2.373 35.704 4.460 1 T 1.173e+07 0.000e+00 a 0 0 0 0 0 >> 962 1.372 19.836 3.881 1 T 1.017e+07 0.000e+00 a 0 0 0 0 0 >> 963 2.292 31.085 1.524 1 T 1.056e+07 0.000e+00 a 0 0 0 0 0 >> 964 2.190 31.001 1.543 1 T 1.389e+07 0.000e+00 a 0 0 0 0 0 >> 965 2.293 31.205 4.361 1 T 1.269e+07 0.000e+00 a 0 0 0 0 0 >> 966 4.012 64.218 0.106 1 T 4.081e+06 0.000e+00 a 0 0 0 0 0 >> 968 0.972 29.687 2.594 1 T 2.333e+06 0.000e+00 a 0 0 0 0 0 >> 969 0.889 29.994 2.586 1 T 2.369e+06 0.000e+00 a 0 0 0 0 0 >> 970 0.969 30.206 2.365 1 T 2.018e+06 0.000e+00 a 0 0 0 0 0 >> 971 0.878 30.232 2.368 1 T 2.897e+06 0.000e+00 a 0 0 0 0 0 >> 974 1.030 19.703 2.577 1 T 5.736e+06 0.000e+00 a 0 0 0 0 0 >> 975 0.882 17.605 0.102 1 T 1.596e+06 0.000e+00 a 0 0 0 0 0 >> 976 0.877 12.730 0.114 1 T 2.456e+06 0.000e+00 a 0 0 0 0 0 >> 977 2.723 41.652 1.813 1 T 6.509e+06 0.000e+00 a 0 0 0 0 0 >> 980 1.306 27.078 0.545 1 T 5.342e+06 0.000e+00 a 0 0 0 0 0 >> 981 3.499 67.760 1.328 1 T 6.732e+06 0.000e+00 a 0 0 0 0 0 >> 982 4.149 68.327 2.462 1 T 4.453e+06 0.000e+00 a 0 0 0 0 0 >> 983 4.142 68.254 2.149 1 T 4.116e+06 0.000e+00 a 0 0 0 0 0 >> 986 1.111 22.556 2.137 1 T 4.109e+07 0.000e+00 a 0 0 0 0 0 >> 987 1.584 41.474 0.839 1 T 1.461e+07 0.000e+00 a 0 0 0 0 0 >> 988 0.795 26.252 9.689 1 T 4.168e+06 0.000e+00 a 0 0 0 0 0 >> 989 0.788 26.746 8.687 1 T 7.263e+06 0.000e+00 a 0 0 0 0 0 >> 990 1.082 42.744 3.933 1 T 3.029e+06 0.000e+00 a 0 0 0 0 0 >> 991 1.099 42.977 0.757 1 T 5.708e+06 0.000e+00 a 0 0 0 0 0 >> 992 1.937 42.717 8.690 1 T 2.861e+06 0.000e+00 a 0 0 0 0 0 >> 993 2.125 33.049 0.748 1 T 9.600e+06 0.000e+00 a 0 0 0 0 0 >> 994 2.255 32.979 0.753 1 T 5.887e+06 0.000e+00 a 0 0 0 0 0 >> 998 2.354 28.319 3.886 1 T 6.541e+06 0.000e+00 a 0 0 0 0 0 >> 999 2.207 28.332 5.008 1 T 5.400e+06 0.000e+00 a 0 0 0 0 0 >>1000 1.968 28.311 5.004 1 T 5.048e+06 0.000e+00 a 0 0 0 0 0 >>1003 1.675 28.050 1.097 1 T 1.247e+07 0.000e+00 a 0 0 0 0 0 >>1004 4.246 59.022 2.060 1 T 2.399e+07 0.000e+00 a 0 0 0 0 0 >>1006 1.590 25.057 4.237 1 T 1.446e+07 0.000e+00 a 0 0 0 0 0 >>1007 3.021 61.398 0.379 1 T 3.806e+06 0.000e+00 a 0 0 0 0 0 >>1008 3.942 60.139 0.371 1 T 3.562e+06 0.000e+00 a 0 0 0 0 0 >>1009 2.399 29.919 1.010 1 T 4.697e+06 0.000e+00 a 0 0 0 0 0 >>1011 2.583 37.664 0.989 1 T 7.375e+06 0.000e+00 a 0 0 0 0 0 >>1012 2.376 37.782 0.988 1 T 6.366e+06 0.000e+00 a 0 0 0 0 0 >>1013 4.103 61.971 2.563 1 T 4.777e+06 0.000e+00 a 0 0 0 0 0 >>1014 2.792 28.761 1.669 1 T 5.737e+06 0.000e+00 a 0 0 0 0 0 >>1015 2.771 28.581 2.219 1 T 4.080e+06 0.000e+00 a 0 0 0 0 0 >>1016 2.777 28.607 3.067 1 T 4.973e+06 0.000e+00 a 0 0 0 0 0 >>1018 2.125 29.443 7.428 8 T 5.375e+06 0.000e+00 a 0 0 0 0 0 >>6018 2.125 29.443 7.428 8 T 5.375e+06 0.000e+00 a 0 0 0 0 0 >>1019 3.660 62.612 1.118 8 T 5.030e+06 0.000e+00 a 0 0 0 0 0 >>6019 3.660 62.612 1.118 8 T 5.030e+06 0.000e+00 a 0 0 0 0 0 >>1021 3.645 62.502 1.777 8 T 2.846e+06 0.000e+00 a 0 0 0 0 0 >>6021 3.645 62.502 1.777 8 T 2.846e+06 0.000e+00 a 0 0 0 0 0 >>1022 1.784 26.554 3.651 1 T 6.246e+06 0.000e+00 a 0 0 0 0 0 >>1023 3.654 62.509 7.405 8 T 2.704e+06 0.000e+00 a 0 0 0 0 0 >>6023 3.654 62.509 7.405 8 T 2.704e+06 0.000e+00 a 0 0 0 0 0 >>1024 0.906 26.138 7.381 1 T 1.891e+07 0.000e+00 a 0 0 0 0 0 >>1025 1.108 27.802 6.928 8 T 5.520e+06 0.000e+00 a 0 0 0 0 0 >>6025 1.108 27.802 6.928 8 T 5.520e+06 0.000e+00 a 0 0 0 0 0 >>1026 0.757 17.368 7.815 8 T 6.310e+06 0.000e+00 a 0 0 0 0 0 >>6026 0.757 17.368 7.815 8 T 6.310e+06 0.000e+00 a 0 0 0 0 0 >>1030 1.587 18.010 7.984 8 T 9.745e+06 0.000e+00 a 0 0 0 0 0 >>6030 1.587 18.010 7.984 8 T 9.745e+06 0.000e+00 a 0 0 0 0 0 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 H-aliphatic 2 aliased 13.9505 ppm . . . 4.7 . . 30543 4 >> 2 . . C 13 C-aliphatic 1 aliased 40.5 ppm . . . 25.75 . . 30543 4 >> 3 . . H 1 H . aliased 10.0 ppm . . . 4.7 . . 30543 4 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_5 _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_2 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_5 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_5 >> _Spectral_peak_list.Entry_ID 30543 >> _Spectral_peak_list.ID 5 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $sample_2 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 17 >> _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 >># FORMAT xeasy3D >># INAME 1 HN >># INAME 2 N >># INAME 3 H >># SPECTRUM N15NOESY HN N H >> 3 7.997 119.254 2.505 1 T 5.875e+06 0.000e+00 a 0 0 0 0 0 >> 4 7.996 119.222 2.614 1 T 7.090e+06 0.000e+00 a 0 0 0 0 0 >> 5 7.996 119.244 2.969 1 T 1.918e+07 0.000e+00 a 0 0 0 0 0 >> 6 7.995 119.264 3.122 1 T 1.424e+07 0.000e+00 a 0 0 0 0 0 >> 7 7.996 119.242 4.638 1 T 9.039e+07 0.000e+00 a 0 0 0 0 0 >> 8 7.997 119.249 6.857 1 T 2.475e+06 0.000e+00 a 0 0 0 0 0 >> 9 7.996 119.255 7.138 1 T 9.717e+06 0.000e+00 a 0 0 0 0 0 >> 10 7.996 119.239 7.997 1 T 1.680e+08 0.000e+00 a 0 0 0 0 0 >> 11 7.996 119.220 8.227 1 T 6.669e+06 0.000e+00 a 0 0 0 0 0 >> 12 8.237 121.879 1.493 1 T 3.734e+06 0.000e+00 a 0 0 0 0 0 >> 13 8.236 121.946 1.698 1 T 2.086e+06 0.000e+00 a 0 0 0 0 0 >> 14 8.235 121.910 2.581 1 T 1.292e+07 0.000e+00 a 0 0 0 0 0 >> 15 8.234 122.012 2.773 1 T 8.481e+06 0.000e+00 a 0 0 0 0 0 >> 17 8.234 121.888 4.406 1 T 2.265e+07 0.000e+00 a 0 0 0 0 0 >> 18 8.223 122.190 7.140 1 T 2.601e+06 0.000e+00 a 0 0 0 0 0 >> 19 8.233 121.873 7.852 1 T 5.913e+06 0.000e+00 a 0 0 0 0 0 >> 20 8.309 119.728 1.907 1 T 2.550e+06 0.000e+00 a 0 0 0 0 0 >> 21 8.318 119.786 2.039 1 T 2.462e+06 0.000e+00 a 0 0 0 0 0 >> 22 8.315 119.750 2.760 1 T 4.388e+06 0.000e+00 a 0 0 0 0 0 >> 24 8.320 119.733 2.799 1 T 4.421e+06 0.000e+00 a 0 0 0 0 0 >> 25 8.314 119.752 4.331 1 T 8.929e+06 0.000e+00 a 0 0 0 0 0 >> 27 8.314 119.767 4.704 1 T 5.225e+06 0.000e+00 a 0 0 0 0 0 >> 29 8.314 119.749 4.931 1 T 2.088e+06 0.000e+00 a 0 0 0 0 0 >> 30 8.414 121.485 2.794 1 T 5.794e+06 0.000e+00 a 0 0 0 0 0 >> 32 8.411 121.437 4.928 1 T 3.351e+06 0.000e+00 a 0 0 0 0 0 >> 33 7.513 121.882 0.349 1 T 2.988e+06 0.000e+00 a 0 0 0 0 0 >> 34 7.530 121.883 0.414 8 T 1.020e+06 0.000e+00 a 0 0 0 0 0 >>5034 7.530 121.883 0.414 8 T 1.020e+06 0.000e+00 a 0 0 0 0 0 >> 35 7.522 121.909 0.497 1 T 2.364e+06 0.000e+00 a 0 0 0 0 0 >> 37 7.514 121.861 1.128 1 T 7.418e+06 0.000e+00 a 0 0 0 0 0 >> 38 7.528 121.900 1.405 8 T 1.160e+06 0.000e+00 a 0 0 0 0 0 >>5038 7.528 121.900 1.405 8 T 1.160e+06 0.000e+00 a 0 0 0 0 0 >> 39 7.527 121.908 2.354 1 T 4.078e+06 0.000e+00 a 0 0 0 0 0 >> 40 7.520 121.883 3.925 1 T 3.465e+06 0.000e+00 a 0 0 0 0 0 >> 41 7.511 121.946 3.975 1 T 3.113e+06 0.000e+00 a 0 0 0 0 0 >> 42 7.516 121.828 7.380 1 T 2.642e+06 0.000e+00 a 0 0 0 0 0 >> 43 7.387 117.814 1.122 1 T 3.021e+06 0.000e+00 a 0 0 0 0 0 >> 44 7.388 117.799 0.862 1 T 3.207e+06 0.000e+00 a 0 0 0 0 0 >> 45 7.375 118.056 1.001 1 T 6.820e+06 0.000e+00 a 0 0 0 0 0 >> 46 7.374 118.073 0.806 1 T 5.079e+06 0.000e+00 a 0 0 0 0 0 >> 50 7.382 118.054 0.528 8 T 1.296e+06 0.000e+00 a 0 0 0 0 0 >>5050 7.382 118.054 0.528 8 T 1.296e+06 0.000e+00 a 0 0 0 0 0 >> 51 7.377 117.964 1.769 8 T 1.720e+06 0.000e+00 a 0 0 0 0 0 >>5051 7.377 117.964 1.769 8 T 1.720e+06 0.000e+00 a 0 0 0 0 0 >> 52 7.381 118.111 4.036 1 T 3.434e+06 0.000e+00 a 0 0 0 0 0 >> 54 7.383 118.056 7.551 1 T 4.057e+06 0.000e+00 a 0 0 0 0 0 >> 56 7.372 118.058 7.139 1 T 2.653e+06 0.000e+00 a 0 0 0 0 0 >> 57 7.391 117.801 1.871 1 T 2.212e+06 0.000e+00 a 0 0 0 0 0 >> 58 7.382 117.823 2.106 1 T 2.037e+06 0.000e+00 a 0 0 0 0 0 >> 60 8.086 120.539 4.156 1 T 2.264e+06 0.000e+00 a 0 0 0 0 0 >> 62 8.079 120.611 2.406 1 T 3.878e+06 0.000e+00 a 0 0 0 0 0 >> 63 8.094 120.625 2.242 1 T 3.464e+06 0.000e+00 a 0 0 0 0 0 >> 64 8.085 120.489 2.133 1 T 3.535e+06 0.000e+00 a 0 0 0 0 0 >> 65 8.070 105.526 3.735 1 T 2.166e+06 0.000e+00 a 0 0 0 0 0 >> 66 8.069 105.649 2.243 1 T 1.887e+06 0.000e+00 a 0 0 0 0 0 >> 67 8.076 105.557 7.952 1 T 1.685e+06 0.000e+00 a 0 0 0 0 0 >> 68 7.930 116.815 7.319 1 T 3.078e+06 0.000e+00 a 0 0 0 0 0 >> 69 7.929 116.802 7.767 1 T 3.142e+06 0.000e+00 a 0 0 0 0 0 >> 70 7.934 116.917 8.076 1 T 2.377e+06 0.000e+00 a 0 0 0 0 0 >> 72 7.905 116.578 4.508 1 T 7.718e+06 0.000e+00 a 0 0 0 0 0 >> 73 7.903 116.638 3.978 1 T 7.854e+06 0.000e+00 a 0 0 0 0 0 >> 74 7.936 117.031 4.135 1 T 2.655e+06 0.000e+00 a 0 0 0 0 0 >> 75 7.928 116.821 3.743 1 T 2.426e+06 0.000e+00 a 0 0 0 0 0 >> 76 7.928 117.013 2.748 1 T 2.541e+06 0.000e+00 a 0 0 0 0 0 >> 77 7.929 116.930 2.128 1 T 2.878e+06 0.000e+00 a 0 0 0 0 0 >> 78 7.763 123.115 7.934 1 T 5.699e+06 0.000e+00 a 0 0 0 0 0 >> 79 7.763 123.165 8.679 1 T 2.759e+06 0.000e+00 a 0 0 0 0 0 >> 80 7.764 123.031 8.105 1 T 1.586e+06 0.000e+00 a 0 0 0 0 0 >> 81 7.766 123.233 5.032 1 T 2.066e+06 0.000e+00 a 0 0 0 0 0 >> 82 7.769 123.145 4.168 1 T 2.298e+06 0.000e+00 a 0 0 0 0 0 >> 83 7.768 123.170 3.974 1 T 2.088e+06 0.000e+00 a 0 0 0 0 0 >> 84 7.766 123.136 3.758 1 T 2.514e+06 0.000e+00 a 0 0 0 0 0 >> 85 7.758 123.168 3.319 1 T 1.669e+06 0.000e+00 a 0 0 0 0 0 >> 86 7.762 123.113 3.447 1 T 1.355e+06 0.000e+00 a 0 0 0 0 0 >> 87 7.766 123.159 2.192 1 T 6.299e+06 0.000e+00 a 0 0 0 0 0 >> 89 7.765 123.136 1.941 1 T 4.970e+06 0.000e+00 a 0 0 0 0 0 >> 90 7.772 123.141 1.582 1 T 2.799e+06 0.000e+00 a 0 0 0 0 0 >> 91 7.761 123.055 1.347 1 T 3.002e+06 0.000e+00 a 0 0 0 0 0 >> 92 7.761 123.124 0.720 1 T 2.559e+06 0.000e+00 a 0 0 0 0 0 >> 94 7.766 123.104 0.893 1 T 2.762e+06 0.000e+00 a 0 0 0 0 0 >> 95 7.768 123.189 1.029 1 T 3.182e+06 0.000e+00 a 0 0 0 0 0 >> 96 7.765 123.152 0.970 1 T 3.087e+06 0.000e+00 a 0 0 0 0 0 >> 97 8.689 118.149 1.070 1 T 5.613e+06 0.000e+00 a 0 0 0 0 0 >> 98 7.670 119.042 0.932 1 T 1.213e+07 0.000e+00 a 0 0 0 0 0 >> 99 7.654 119.296 1.026 1 T 3.576e+06 0.000e+00 a 0 0 0 0 0 >> 100 7.637 119.081 1.312 1 T 1.401e+06 0.000e+00 a 0 0 0 0 0 >> 101 7.667 119.095 1.292 1 T 2.908e+06 0.000e+00 a 0 0 0 0 0 >> 102 7.669 119.045 1.573 1 T 7.408e+06 0.000e+00 a 0 0 0 0 0 >> 103 7.667 119.037 1.846 1 T 7.316e+06 0.000e+00 a 0 0 0 0 0 >> 104 7.667 119.042 2.035 1 T 5.461e+06 0.000e+00 a 0 0 0 0 0 >> 107 7.658 119.409 8.579 1 T 2.152e+06 0.000e+00 a 0 0 0 0 0 >> 108 8.593 118.641 0.711 8 T 1.140e+06 0.000e+00 a 0 0 0 0 0 >>5108 8.593 118.641 0.711 8 T 1.140e+06 0.000e+00 a 0 0 0 0 0 >> 109 8.597 118.636 0.912 1 T 3.052e+06 0.000e+00 a 0 0 0 0 0 >> 110 8.595 118.592 1.028 1 T 3.712e+06 0.000e+00 a 0 0 0 0 0 >> 111 8.604 118.682 1.225 1 T 2.199e+06 0.000e+00 a 0 0 0 0 0 >> 112 8.599 118.565 2.069 1 T 2.919e+06 0.000e+00 a 0 0 0 0 0 >> 113 8.601 118.556 4.251 1 T 2.726e+06 0.000e+00 a 0 0 0 0 0 >> 117 8.603 118.678 4.029 1 T 1.956e+06 0.000e+00 a 0 0 0 0 0 >> 120 8.507 106.208 0.906 1 T 2.287e+06 0.000e+00 a 0 0 0 0 0 >> 121 8.524 106.233 1.021 1 T 1.866e+06 0.000e+00 a 0 0 0 0 0 >> 122 8.501 106.147 1.122 1 T 1.554e+06 0.000e+00 a 0 0 0 0 0 >> 123 8.512 106.213 1.269 1 T 3.301e+06 0.000e+00 a 0 0 0 0 0 >> 124 8.516 106.108 0.857 1 T 1.452e+06 0.000e+00 a 0 0 0 0 0 >> 125 8.512 106.166 2.082 1 T 1.612e+06 0.000e+00 a 0 0 0 0 0 >> 126 8.513 106.181 3.724 1 T 2.060e+06 0.000e+00 a 0 0 0 0 0 >> 127 8.508 106.186 7.543 1 T 2.198e+06 0.000e+00 a 0 0 0 0 0 >> 128 7.557 114.723 0.884 1 T 4.748e+06 0.000e+00 a 0 0 0 0 0 >> 129 7.557 114.673 0.751 1 T 2.979e+06 0.000e+00 a 0 0 0 0 0 >> 131 7.561 114.634 1.008 1 T 4.228e+06 0.000e+00 a 0 0 0 0 0 >> 133 7.557 114.668 1.670 8 T 1.104e+06 0.000e+00 a 0 0 0 0 0 >>5133 7.557 114.668 1.670 8 T 1.104e+06 0.000e+00 a 0 0 0 0 0 >> 134 7.551 114.642 1.809 1 T 2.967e+06 0.000e+00 a 0 0 0 0 0 >> 138 7.558 114.653 3.997 1 T 5.667e+06 0.000e+00 a 0 0 0 0 0 >> 139 7.558 114.640 4.107 1 T 4.896e+06 0.000e+00 a 0 0 0 0 0 >> 140 7.553 114.629 4.275 1 T 1.420e+06 0.000e+00 a 0 0 0 0 0 >> 141 7.556 114.624 4.433 1 T 6.103e+06 0.000e+00 a 0 0 0 0 0 >> 143 7.558 114.572 4.563 1 T 1.402e+06 0.000e+00 a 0 0 0 0 0 >> 144 7.552 114.638 7.381 1 T 3.939e+06 0.000e+00 a 0 0 0 0 0 >> 145 7.376 118.067 3.978 1 T 2.905e+06 0.000e+00 a 0 0 0 0 0 >> 146 7.383 118.084 4.124 1 T 2.581e+06 0.000e+00 a 0 0 0 0 0 >> 147 7.147 116.654 0.291 8 T 9.890e+05 0.000e+00 a 0 0 0 0 0 >>5147 7.147 116.654 0.291 8 T 9.890e+05 0.000e+00 a 0 0 0 0 0 >> 148 7.134 116.778 0.511 1 T 2.309e+06 0.000e+00 a 0 0 0 0 0 >> 149 7.142 116.678 0.733 1 T 4.073e+06 0.000e+00 a 0 0 0 0 0 >> 150 7.142 116.709 0.993 1 T 3.209e+06 0.000e+00 a 0 0 0 0 0 >> 153 7.144 116.732 1.744 1 T 1.944e+06 0.000e+00 a 0 0 0 0 0 >> 154 7.143 116.655 1.668 1 T 1.730e+06 0.000e+00 a 0 0 0 0 0 >> 157 7.147 116.761 7.363 1 T 2.574e+06 0.000e+00 a 0 0 0 0 0 >> 158 7.928 124.558 0.552 1 T 1.452e+06 0.000e+00 a 0 0 0 0 0 >> 159 7.929 124.494 0.827 1 T 2.011e+06 0.000e+00 a 0 0 0 0 0 >> 160 7.914 124.656 3.034 1 T 1.492e+06 0.000e+00 a 0 0 0 0 0 >> 161 8.051 112.764 7.655 1 T 1.905e+06 0.000e+00 a 0 0 0 0 0 >> 162 8.042 112.851 3.917 1 T 3.754e+06 0.000e+00 a 0 0 0 0 0 >> 163 8.055 112.710 4.190 1 T 1.576e+06 0.000e+00 a 0 0 0 0 0 >> 166 7.654 119.977 7.937 1 T 3.043e+06 0.000e+00 a 0 0 0 0 0 >> 167 7.655 120.014 8.056 1 T 1.674e+06 0.000e+00 a 0 0 0 0 0 >> 168 7.666 119.951 6.663 1 T 2.323e+06 0.000e+00 a 0 0 0 0 0 >> 169 7.650 119.951 4.216 1 T 3.605e+06 0.000e+00 a 0 0 0 0 0 >> 170 7.664 119.914 3.951 1 T 5.781e+06 0.000e+00 a 0 0 0 0 0 >> 171 7.660 119.980 2.204 1 T 4.107e+06 0.000e+00 a 0 0 0 0 0 >> 173 7.658 119.960 1.996 1 T 4.759e+06 0.000e+00 a 0 0 0 0 0 >> 174 7.658 119.942 1.803 1 T 3.740e+06 0.000e+00 a 0 0 0 0 0 >> 175 7.661 119.848 1.884 1 T 4.013e+06 0.000e+00 a 0 0 0 0 0 >> 177 7.683 119.994 1.591 8 T 1.219e+06 0.000e+00 a 0 0 0 0 0 >>5177 7.683 119.994 1.591 8 T 1.219e+06 0.000e+00 a 0 0 0 0 0 >> 178 7.658 119.992 1.547 1 T 4.309e+06 0.000e+00 a 0 0 0 0 0 >> 179 7.655 119.948 1.325 1 T 2.807e+06 0.000e+00 a 0 0 0 0 0 >> 180 7.655 120.004 1.047 1 T 4.538e+06 0.000e+00 a 0 0 0 0 0 >> 181 7.655 119.984 0.931 1 T 7.415e+06 0.000e+00 a 0 0 0 0 0 >> 184 6.663 104.201 3.961 1 T 2.816e+06 0.000e+00 a 0 0 0 0 0 >> 185 6.666 104.245 3.220 1 T 1.950e+06 0.000e+00 a 0 0 0 0 0 >> 186 6.659 104.249 1.891 1 T 2.052e+06 0.000e+00 a 0 0 0 0 0 >> 187 6.680 104.135 1.024 1 T 2.774e+06 0.000e+00 a 0 0 0 0 0 >> 188 6.654 104.213 1.148 1 T 2.085e+06 0.000e+00 a 0 0 0 0 0 >> 189 6.668 104.113 0.874 8 T 1.344e+06 0.000e+00 a 0 0 0 0 0 >>5189 6.668 104.113 0.874 8 T 1.344e+06 0.000e+00 a 0 0 0 0 0 >> 190 6.668 104.102 0.527 1 T 1.385e+06 0.000e+00 a 0 0 0 0 0 >> 191 6.664 104.256 4.215 1 T 1.677e+06 0.000e+00 a 0 0 0 0 0 >> 192 7.968 116.529 6.662 1 T 2.310e+06 0.000e+00 a 0 0 0 0 0 >> 194 7.966 116.572 3.966 1 T 3.165e+06 0.000e+00 a 0 0 0 0 0 >> 196 7.965 116.595 1.173 1 T 3.203e+06 0.000e+00 a 0 0 0 0 0 >> 197 7.961 116.597 0.872 1 T 2.744e+06 0.000e+00 a 0 0 0 0 0 >> 198 7.967 116.532 4.226 1 T 2.037e+06 0.000e+00 a 0 0 0 0 0 >> 204 7.622 118.773 6.799 1 T 2.358e+06 0.000e+00 a 0 0 0 0 0 >> 205 7.616 118.799 7.820 1 T 2.088e+06 0.000e+00 a 0 0 0 0 0 >> 206 7.598 118.768 4.137 1 T 3.972e+06 0.000e+00 a 0 0 0 0 0 >> 207 7.591 118.717 4.014 1 T 4.099e+06 0.000e+00 a 0 0 0 0 0 >> 208 7.615 118.794 3.993 1 T 3.013e+06 0.000e+00 a 0 0 0 0 0 >> 209 7.612 118.769 4.045 1 T 2.422e+06 0.000e+00 a 0 0 0 0 0 >> 210 7.616 118.779 3.720 8 T 1.389e+06 0.000e+00 a 0 0 0 0 0 >>5210 7.616 118.779 3.720 8 T 1.389e+06 0.000e+00 a 0 0 0 0 0 >> 213 7.624 118.671 3.194 1 T 1.767e+06 0.000e+00 a 0 0 0 0 0 >> 214 7.629 118.807 4.178 1 T 2.952e+06 0.000e+00 a 0 0 0 0 0 >> 215 7.588 118.698 8.443 1 T 2.009e+06 0.000e+00 a 0 0 0 0 0 >> 216 7.593 118.694 8.668 1 T 2.185e+06 0.000e+00 a 0 0 0 0 0 >> 217 7.593 118.722 2.155 1 T 7.195e+06 0.000e+00 a 0 0 0 0 0 >> 218 7.592 118.711 2.439 1 T 4.356e+06 0.000e+00 a 0 0 0 0 0 >> 219 7.618 118.809 2.128 1 T 3.913e+06 0.000e+00 a 0 0 0 0 0 >> 220 7.626 118.769 2.197 1 T 2.466e+06 0.000e+00 a 0 0 0 0 0 >> 223 7.603 118.695 1.883 1 T 2.024e+06 0.000e+00 a 0 0 0 0 0 >> 224 7.600 118.653 2.047 1 T 2.084e+06 0.000e+00 a 0 0 0 0 0 >> 225 7.592 118.750 1.091 1 T 3.086e+06 0.000e+00 a 0 0 0 0 0 >> 229 7.822 117.830 0.839 1 T 2.913e+06 0.000e+00 a 0 0 0 0 0 >> 230 7.823 117.862 1.121 1 T 2.175e+06 0.000e+00 a 0 0 0 0 0 >> 232 7.820 117.825 2.044 1 T 2.704e+06 0.000e+00 a 0 0 0 0 0 >> 234 7.816 118.008 3.996 1 T 2.006e+06 0.000e+00 a 0 0 0 0 0 >> 237 7.832 117.977 6.835 1 T 2.016e+06 0.000e+00 a 0 0 0 0 0 >> 238 9.020 120.466 0.822 1 T 2.916e+06 0.000e+00 a 0 0 0 0 0 >> 239 9.015 120.493 0.863 1 T 2.729e+06 0.000e+00 a 0 0 0 0 0 >> 240 9.004 120.411 1.082 1 T 2.613e+06 0.000e+00 a 0 0 0 0 0 >> 241 9.009 120.498 1.496 1 T 2.205e+06 0.000e+00 a 0 0 0 0 0 >> 242 9.013 120.526 1.922 1 T 3.817e+06 0.000e+00 a 0 0 0 0 0 >> 244 9.016 120.464 2.323 1 T 1.844e+06 0.000e+00 a 0 0 0 0 0 >> 247 9.009 120.529 8.039 1 T 1.890e+06 0.000e+00 a 0 0 0 0 0 >> 250 8.043 121.583 0.107 1 T 2.032e+06 0.000e+00 a 0 0 0 0 0 >> 252 8.041 121.364 1.729 1 T 2.159e+06 0.000e+00 a 0 0 0 0 0 >> 253 8.031 121.498 1.901 1 T 2.794e+06 0.000e+00 a 0 0 0 0 0 >> 254 8.035 121.521 2.017 1 T 4.504e+06 0.000e+00 a 0 0 0 0 0 >> 255 8.037 121.529 2.326 1 T 2.900e+06 0.000e+00 a 0 0 0 0 0 >> 256 8.030 121.476 2.382 1 T 2.730e+06 0.000e+00 a 0 0 0 0 0 >> 257 8.034 121.521 4.120 1 T 3.334e+06 0.000e+00 a 0 0 0 0 0 >> 258 8.037 121.518 9.007 1 T 1.843e+06 0.000e+00 a 0 0 0 0 0 >> 259 8.042 121.449 7.460 1 T 1.865e+06 0.000e+00 a 0 0 0 0 0 >> 260 7.476 113.760 0.108 1 T 1.389e+06 0.000e+00 a 0 0 0 0 0 >> 264 7.475 113.739 2.565 8 T 1.620e+06 0.000e+00 a 0 0 0 0 0 >>5264 7.475 113.739 2.565 8 T 1.620e+06 0.000e+00 a 0 0 0 0 0 >> 265 7.471 113.776 2.063 1 T 2.052e+06 0.000e+00 a 0 0 0 0 0 >> 267 7.465 113.775 1.536 1 T 1.879e+06 0.000e+00 a 0 0 0 0 0 >> 268 7.461 113.801 1.351 1 T 2.008e+06 0.000e+00 a 0 0 0 0 0 >> 269 7.471 113.780 2.007 1 T 1.821e+06 0.000e+00 a 0 0 0 0 0 >> 271 7.475 113.780 3.076 1 T 2.384e+06 0.000e+00 a 0 0 0 0 0 >> 272 7.468 113.829 4.097 1 T 2.904e+06 0.000e+00 a 0 0 0 0 0 >> 273 7.472 113.722 8.048 1 T 1.901e+06 0.000e+00 a 0 0 0 0 0 >> 276 7.900 111.434 0.852 1 T 2.800e+06 0.000e+00 a 0 0 0 0 0 >> 277 7.905 111.460 1.348 1 T 3.842e+06 0.000e+00 a 0 0 0 0 0 >> 279 7.898 111.461 1.685 1 T 1.979e+06 0.000e+00 a 0 0 0 0 0 >> 280 7.903 111.469 2.043 1 T 2.602e+06 0.000e+00 a 0 0 0 0 0 >> 282 7.902 111.461 4.058 1 T 5.496e+06 0.000e+00 a 0 0 0 0 0 >> 283 7.904 111.393 6.678 1 T 2.044e+06 0.000e+00 a 0 0 0 0 0 >> 284 7.900 111.483 7.456 1 T 2.031e+06 0.000e+00 a 0 0 0 0 0 >> 285 7.907 111.308 7.242 1 T 1.708e+06 0.000e+00 a 0 0 0 0 0 >> 286 7.236 107.833 0.847 1 T 5.096e+06 0.000e+00 a 0 0 0 0 0 >> 287 7.239 107.794 1.348 8 T 1.022e+06 0.000e+00 a 0 0 0 0 0 >>5287 7.239 107.794 1.348 8 T 1.022e+06 0.000e+00 a 0 0 0 0 0 >> 288 7.246 107.948 4.038 1 T 2.069e+06 0.000e+00 a 0 0 0 0 0 >> 289 7.232 107.908 4.504 1 T 1.963e+06 0.000e+00 a 0 0 0 0 0 >> 290 7.236 107.828 4.075 1 T 2.040e+06 0.000e+00 a 0 0 0 0 0 >> 291 7.239 107.892 6.685 1 T 3.471e+06 0.000e+00 a 0 0 0 0 0 >> 292 7.233 107.814 7.468 1 T 1.930e+06 0.000e+00 a 0 0 0 0 0 >> 293 7.234 107.929 7.934 8 T 1.356e+06 0.000e+00 a 0 0 0 0 0 >>5293 7.234 107.929 7.934 8 T 1.356e+06 0.000e+00 a 0 0 0 0 0 >> 294 6.685 118.576 0.845 1 T 9.336e+06 0.000e+00 a 0 0 0 0 0 >> 295 6.688 118.568 1.053 1 T 3.802e+06 0.000e+00 a 0 0 0 0 0 >> 297 6.680 118.633 1.358 1 T 1.802e+06 0.000e+00 a 0 0 0 0 0 >> 298 6.688 118.574 1.444 1 T 3.045e+06 0.000e+00 a 0 0 0 0 0 >> 299 6.678 118.584 1.505 1 T 3.851e+06 0.000e+00 a 0 0 0 0 0 >> 302 6.691 118.668 3.057 1 T 2.262e+06 0.000e+00 a 0 0 0 0 0 >> 303 6.686 118.597 4.047 1 T 3.351e+06 0.000e+00 a 0 0 0 0 0 >> 304 6.683 118.570 4.489 1 T 3.120e+06 0.000e+00 a 0 0 0 0 0 >> 305 6.686 118.533 4.395 1 T 3.569e+06 0.000e+00 a 0 0 0 0 0 >> 306 6.684 118.577 4.672 1 T 3.428e+06 0.000e+00 a 0 0 0 0 0 >> 307 6.682 118.601 7.234 1 T 6.139e+06 0.000e+00 a 0 0 0 0 0 >> 312 8.068 105.627 4.012 1 T 1.418e+06 0.000e+00 a 0 0 0 0 0 >> 313 7.920 116.880 3.433 1 T 1.414e+06 0.000e+00 a 0 0 0 0 0 >> 314 7.669 119.051 7.942 1 T 5.110e+06 0.000e+00 a 0 0 0 0 0 >> 315 7.378 118.024 3.900 1 T 1.925e+06 0.000e+00 a 0 0 0 0 0 >> 316 8.053 112.811 0.893 1 T 2.134e+06 0.000e+00 a 0 0 0 0 0 >> 319 9.708 126.189 2.936 1 T 2.816e+06 0.000e+00 a 0 0 0 0 0 >> 320 9.703 126.220 1.465 1 T 2.366e+06 0.000e+00 a 0 0 0 0 0 >> 321 9.705 126.042 0.845 1 T 3.692e+06 0.000e+00 a 0 0 0 0 0 >> 322 9.712 126.045 1.044 1 T 1.874e+06 0.000e+00 a 0 0 0 0 0 >> 323 9.710 126.109 5.003 1 T 1.782e+06 0.000e+00 a 0 0 0 0 0 >> 325 8.355 116.520 7.737 1 T 5.958e+06 0.000e+00 a 0 0 0 0 0 >> 326 8.356 116.513 7.836 1 T 2.025e+06 0.000e+00 a 0 0 0 0 0 >> 328 8.355 116.502 4.385 1 T 6.954e+06 0.000e+00 a 0 0 0 0 0 >> 329 8.363 116.482 4.208 1 T 2.581e+06 0.000e+00 a 0 0 0 0 0 >> 332 8.361 116.452 3.818 1 T 1.969e+06 0.000e+00 a 0 0 0 0 0 >> 333 8.359 116.506 2.882 1 T 2.822e+06 0.000e+00 a 0 0 0 0 0 >> 334 8.355 116.494 2.634 1 T 9.791e+06 0.000e+00 a 0 0 0 0 0 >> 335 8.353 116.414 2.348 1 T 2.619e+06 0.000e+00 a 0 0 0 0 0 >> 336 8.352 116.475 2.188 1 T 3.124e+06 0.000e+00 a 0 0 0 0 0 >> 337 8.353 116.493 1.971 1 T 4.476e+06 0.000e+00 a 0 0 0 0 0 >> 338 7.735 120.889 8.356 1 T 4.765e+06 0.000e+00 a 0 0 0 0 0 >> 339 7.737 120.939 7.819 1 T 7.211e+06 0.000e+00 a 0 0 0 0 0 >> 340 7.734 120.900 4.392 1 T 8.227e+06 0.000e+00 a 0 0 0 0 0 >> 341 7.738 120.895 2.895 1 T 4.534e+06 0.000e+00 a 0 0 0 0 0 >> 342 7.735 120.919 2.620 1 T 6.524e+06 0.000e+00 a 0 0 0 0 0 >> 343 7.730 120.919 2.126 1 T 2.872e+06 0.000e+00 a 0 0 0 0 0 >> 344 7.737 120.863 2.219 1 T 3.364e+06 0.000e+00 a 0 0 0 0 0 >> 347 7.740 120.972 2.028 1 T 2.494e+06 0.000e+00 a 0 0 0 0 0 >> 350 7.827 118.502 0.823 1 T 3.943e+06 0.000e+00 a 0 0 0 0 0 >> 351 7.838 118.481 0.948 1 T 2.457e+06 0.000e+00 a 0 0 0 0 0 >> 352 7.832 118.492 1.503 1 T 2.009e+06 0.000e+00 a 0 0 0 0 0 >> 353 7.826 118.492 1.784 1 T 4.814e+06 0.000e+00 a 0 0 0 0 0 >> 354 7.828 118.533 2.237 1 T 4.496e+06 0.000e+00 a 0 0 0 0 0 >> 356 7.824 118.500 7.736 1 T 4.898e+06 0.000e+00 a 0 0 0 0 0 >> 357 7.834 118.487 4.390 1 T 3.916e+06 0.000e+00 a 0 0 0 0 0 >> 358 7.843 118.487 4.233 1 T 2.751e+06 0.000e+00 a 0 0 0 0 0 >> 359 7.828 118.495 3.662 1 T 3.366e+06 0.000e+00 a 0 0 0 0 0 >> 363 7.832 118.480 2.010 1 T 2.212e+06 0.000e+00 a 0 0 0 0 0 >> 364 7.831 118.548 2.111 1 T 2.654e+06 0.000e+00 a 0 0 0 0 0 >> 368 7.844 117.356 1.770 1 T 3.030e+06 0.000e+00 a 0 0 0 0 0 >> 369 7.840 117.361 2.091 1 T 1.352e+07 0.000e+00 a 0 0 0 0 0 >> 370 7.841 117.376 2.234 1 T 8.991e+06 0.000e+00 a 0 0 0 0 0 >> 371 7.838 117.359 2.342 1 T 6.563e+06 0.000e+00 a 0 0 0 0 0 >> 373 7.841 117.330 2.522 1 T 1.783e+06 0.000e+00 a 0 0 0 0 0 >> 374 7.839 117.377 3.988 1 T 5.949e+06 0.000e+00 a 0 0 0 0 0 >> 375 7.838 117.424 4.098 8 T 1.351e+06 0.000e+00 a 0 0 0 0 0 >>5375 7.838 117.424 4.098 8 T 1.351e+06 0.000e+00 a 0 0 0 0 0 >> 377 7.843 117.363 4.386 1 T 3.519e+06 0.000e+00 a 0 0 0 0 0 >> 379 7.841 117.364 7.658 1 T 4.867e+06 0.000e+00 a 0 0 0 0 0 >> 380 7.838 117.401 7.747 1 T 2.671e+06 0.000e+00 a 0 0 0 0 0 >> 383 7.657 117.484 2.094 1 T 5.590e+06 0.000e+00 a 0 0 0 0 0 >> 384 7.659 117.451 2.203 1 T 1.198e+07 0.000e+00 a 0 0 0 0 0 >> 385 7.654 117.442 2.367 1 T 6.098e+06 0.000e+00 a 0 0 0 0 0 >> 386 7.660 117.460 2.522 1 T 5.116e+06 0.000e+00 a 0 0 0 0 0 >> 387 7.658 117.429 3.987 1 T 2.766e+06 0.000e+00 a 0 0 0 0 0 >> 388 7.660 117.422 4.108 1 T 5.732e+06 0.000e+00 a 0 0 0 0 0 >> 389 7.656 117.439 4.390 1 T 2.743e+06 0.000e+00 a 0 0 0 0 0 >> 390 7.658 117.446 7.524 1 T 4.493e+06 0.000e+00 a 0 0 0 0 0 >> 391 7.654 117.459 7.823 1 T 3.772e+06 0.000e+00 a 0 0 0 0 0 >> 392 7.532 114.957 0.769 1 T 2.894e+06 0.000e+00 a 0 0 0 0 0 >> 393 7.534 114.933 0.870 1 T 7.508e+06 0.000e+00 a 0 0 0 0 0 >> 394 7.531 114.932 0.939 1 T 6.713e+06 0.000e+00 a 0 0 0 0 0 >> 395 7.530 114.867 1.796 1 T 2.909e+06 0.000e+00 a 0 0 0 0 0 >> 396 7.534 114.944 2.191 1 T 6.032e+06 0.000e+00 a 0 0 0 0 0 >> 397 7.525 114.889 2.362 1 T 2.247e+06 0.000e+00 a 0 0 0 0 0 >> 398 7.530 114.986 3.871 1 T 2.722e+06 0.000e+00 a 0 0 0 0 0 >> 399 7.532 114.918 7.656 1 T 3.635e+06 0.000e+00 a 0 0 0 0 0 >> 400 7.526 114.940 7.743 8 T 1.140e+06 0.000e+00 a 0 0 0 0 0 >>5400 7.526 114.940 7.743 8 T 1.140e+06 0.000e+00 a 0 0 0 0 0 >> 401 7.527 114.970 7.816 1 T 2.674e+06 0.000e+00 a 0 0 0 0 0 >> 402 7.538 114.936 2.499 1 T 2.234e+06 0.000e+00 a 0 0 0 0 0 >> 403 7.801 115.366 0.869 1 T 2.510e+06 0.000e+00 a 0 0 0 0 0 >> 405 7.969 113.533 0.767 1 T 3.225e+06 0.000e+00 a 0 0 0 0 0 >> 406 7.974 113.510 0.874 1 T 4.188e+06 0.000e+00 a 0 0 0 0 0 >> 407 7.972 113.565 1.528 1 T 2.242e+06 0.000e+00 a 0 0 0 0 0 >> 409 7.968 113.511 1.765 1 T 3.281e+06 0.000e+00 a 0 0 0 0 0 >> 411 7.970 113.512 3.874 1 T 5.007e+06 0.000e+00 a 0 0 0 0 0 >> 412 7.973 113.503 3.943 1 T 5.374e+06 0.000e+00 a 0 0 0 0 0 >> 413 7.966 113.486 4.277 1 T 3.937e+06 0.000e+00 a 0 0 0 0 0 >> 414 7.973 113.491 4.521 1 T 4.185e+06 0.000e+00 a 0 0 0 0 0 >> 417 7.975 113.490 7.797 1 T 4.565e+06 0.000e+00 a 0 0 0 0 0 >> 419 7.965 113.468 2.182 1 T 1.966e+06 0.000e+00 a 0 0 0 0 0 >> 420 7.941 123.406 4.849 1 T 2.398e+06 0.000e+00 a 0 0 0 0 0 >> 421 7.940 123.404 4.552 1 T 3.568e+06 0.000e+00 a 0 0 0 0 0 >> 422 7.943 123.332 3.908 1 T 2.788e+06 0.000e+00 a 0 0 0 0 0 >> 423 7.946 123.318 3.863 1 T 2.398e+06 0.000e+00 a 0 0 0 0 0 >> 424 7.936 123.322 2.694 1 T 3.165e+06 0.000e+00 a 0 0 0 0 0 >> 425 7.930 123.243 2.777 1 T 2.550e+06 0.000e+00 a 0 0 0 0 0 >> 426 8.700 116.485 0.986 1 T 2.688e+06 0.000e+00 a 0 0 0 0 0 >> 427 8.702 116.532 1.952 1 T 3.408e+06 0.000e+00 a 0 0 0 0 0 >> 428 8.705 116.532 2.817 1 T 6.381e+06 0.000e+00 a 0 0 0 0 0 >> 429 8.706 116.533 2.789 1 T 5.804e+06 0.000e+00 a 0 0 0 0 0 >> 430 8.707 116.484 4.361 1 T 3.222e+06 0.000e+00 a 0 0 0 0 0 >> 432 8.708 116.560 4.682 1 T 4.751e+06 0.000e+00 a 0 0 0 0 0 >> 433 8.717 116.469 7.934 1 T 2.391e+06 0.000e+00 a 0 0 0 0 0 >> 435 8.704 116.555 8.057 1 T 1.961e+06 0.000e+00 a 0 0 0 0 0 >> 436 8.698 116.511 4.867 1 T 1.682e+06 0.000e+00 a 0 0 0 0 0 >> 439 7.928 117.857 0.965 1 T 1.499e+07 0.000e+00 a 0 0 0 0 0 >> 440 7.925 117.983 1.560 1 T 5.289e+06 0.000e+00 a 0 0 0 0 0 >> 441 7.918 117.819 1.725 1 T 2.451e+06 0.000e+00 a 0 0 0 0 0 >> 442 7.929 117.862 2.209 1 T 6.771e+06 0.000e+00 a 0 0 0 0 0 >> 443 7.923 117.989 2.740 1 T 2.665e+06 0.000e+00 a 0 0 0 0 0 >> 444 7.928 117.851 3.948 1 T 4.535e+06 0.000e+00 a 0 0 0 0 0 >> 446 7.923 117.899 4.346 1 T 4.714e+06 0.000e+00 a 0 0 0 0 0 >> 447 7.924 117.895 7.643 1 T 3.524e+06 0.000e+00 a 0 0 0 0 0 >> 449 8.436 116.144 1.053 1 T 2.355e+06 0.000e+00 a 0 0 0 0 0 >> 450 8.457 116.123 1.483 1 T 2.104e+06 0.000e+00 a 0 0 0 0 0 >> 451 8.437 116.205 1.672 1 T 2.262e+06 0.000e+00 a 0 0 0 0 0 >> 452 8.439 116.177 1.801 1 T 4.188e+06 0.000e+00 a 0 0 0 0 0 >> 453 8.441 116.203 2.004 1 T 2.485e+06 0.000e+00 a 0 0 0 0 0 >> 454 8.433 116.212 4.402 1 T 2.239e+06 0.000e+00 a 0 0 0 0 0 >> 456 7.311 118.343 1.999 1 T 3.146e+06 0.000e+00 a 0 0 0 0 0 >> 457 7.324 118.350 1.785 1 T 2.623e+06 0.000e+00 a 0 0 0 0 0 >> 459 8.316 117.270 0.835 1 T 2.476e+06 0.000e+00 a 0 0 0 0 0 >> 460 8.308 117.180 1.139 1 T 2.871e+06 0.000e+00 a 0 0 0 0 0 >> 462 8.311 117.223 3.959 1 T 2.195e+06 0.000e+00 a 0 0 0 0 0 >> 463 8.309 117.110 7.735 1 T 2.101e+06 0.000e+00 a 0 0 0 0 0 >> 464 7.730 106.668 3.942 1 T 2.695e+06 0.000e+00 a 0 0 0 0 0 >> 465 7.726 106.645 3.519 1 T 2.808e+06 0.000e+00 a 0 0 0 0 0 >> 467 7.726 106.744 1.264 1 T 2.935e+06 0.000e+00 a 0 0 0 0 0 >> 468 7.714 106.669 1.680 1 T 1.804e+06 0.000e+00 a 0 0 0 0 0 >> 471 7.724 106.723 1.115 1 T 3.006e+06 0.000e+00 a 0 0 0 0 0 >> 472 7.729 106.646 8.331 1 T 1.861e+06 0.000e+00 a 0 0 0 0 0 >> 474 7.725 106.697 0.885 1 T 1.855e+06 0.000e+00 a 0 0 0 0 0 >> 475 7.639 121.436 7.865 1 T 3.990e+06 0.000e+00 a 0 0 0 0 0 >> 477 7.634 121.476 7.747 1 T 2.540e+06 0.000e+00 a 0 0 0 0 0 >> 478 7.639 121.445 8.325 1 T 1.716e+06 0.000e+00 a 0 0 0 0 0 >> 480 7.634 121.436 3.976 1 T 2.465e+06 0.000e+00 a 0 0 0 0 0 >> 481 7.631 121.448 3.749 1 T 2.683e+06 0.000e+00 a 0 0 0 0 0 >> 482 7.638 121.474 2.129 1 T 5.649e+06 0.000e+00 a 0 0 0 0 0 >> 483 7.636 121.455 1.094 1 T 1.122e+07 0.000e+00 a 0 0 0 0 0 >> 484 7.637 121.455 0.905 1 T 7.624e+06 0.000e+00 a 0 0 0 0 0 >> 486 7.641 121.423 3.521 1 T 1.882e+06 0.000e+00 a 0 0 0 0 0 >> 487 7.864 120.128 4.049 1 T 2.188e+06 0.000e+00 a 0 0 0 0 0 >> 489 7.858 120.041 2.187 1 T 2.523e+06 0.000e+00 a 0 0 0 0 0 >> 490 7.857 120.090 0.885 1 T 7.313e+06 0.000e+00 a 0 0 0 0 0 >> 491 7.862 120.045 0.754 8 T 1.517e+06 0.000e+00 a 0 0 0 0 0 >>5491 7.862 120.045 0.754 8 T 1.517e+06 0.000e+00 a 0 0 0 0 0 >> 492 7.865 120.189 1.087 1 T 4.454e+06 0.000e+00 a 0 0 0 0 0 >> 493 7.871 120.206 1.502 1 T 3.877e+06 0.000e+00 a 0 0 0 0 0 >> 496 8.333 117.526 7.770 1 T 2.428e+06 0.000e+00 a 0 0 0 0 0 >> 497 8.337 117.474 1.707 1 T 2.777e+06 0.000e+00 a 0 0 0 0 0 >> 498 8.340 117.547 1.863 1 T 2.608e+06 0.000e+00 a 0 0 0 0 0 >> 499 8.333 117.484 1.494 1 T 2.318e+06 0.000e+00 a 0 0 0 0 0 >> 500 8.341 117.436 1.142 1 T 3.023e+06 0.000e+00 a 0 0 0 0 0 >> 501 8.337 117.519 1.265 1 T 2.160e+06 0.000e+00 a 0 0 0 0 0 >> 502 8.334 117.444 0.870 1 T 4.751e+06 0.000e+00 a 0 0 0 0 0 >> 503 8.331 117.461 0.709 1 T 3.823e+06 0.000e+00 a 0 0 0 0 0 >> 504 8.335 117.538 0.353 1 T 2.823e+06 0.000e+00 a 0 0 0 0 0 >> 505 7.797 120.462 8.160 1 T 2.617e+06 0.000e+00 a 0 0 0 0 0 >> 506 7.790 120.330 8.328 1 T 2.801e+06 0.000e+00 a 0 0 0 0 0 >> 507 7.799 120.310 8.407 1 T 2.013e+06 0.000e+00 a 0 0 0 0 0 >> 508 7.793 120.400 4.029 1 T 3.860e+06 0.000e+00 a 0 0 0 0 0 >> 511 7.800 120.443 2.501 1 T 3.552e+06 0.000e+00 a 0 0 0 0 0 >> 512 7.806 120.563 1.865 1 T 3.745e+06 0.000e+00 a 0 0 0 0 0 >> 513 7.796 120.405 0.726 1 T 3.014e+06 0.000e+00 a 0 0 0 0 0 >> 515 7.805 120.351 1.086 8 T 1.856e+06 0.000e+00 a 0 0 0 0 0 >>5515 7.805 120.351 1.086 8 T 1.856e+06 0.000e+00 a 0 0 0 0 0 >> 516 7.820 120.630 1.779 1 T 4.180e+06 0.000e+00 a 0 0 0 0 0 >> 517 7.798 120.336 1.703 1 T 2.254e+06 0.000e+00 a 0 0 0 0 0 >> 518 8.167 120.911 7.796 1 T 2.412e+06 0.000e+00 a 0 0 0 0 0 >> 520 8.169 120.919 7.608 1 T 2.407e+06 0.000e+00 a 0 0 0 0 0 >> 521 8.159 121.006 8.013 1 T 4.491e+06 0.000e+00 a 0 0 0 0 0 >> 523 8.173 120.819 8.412 1 T 2.272e+06 0.000e+00 a 0 0 0 0 0 >> 526 8.167 120.972 4.553 1 T 3.348e+06 0.000e+00 a 0 0 0 0 0 >> 527 8.166 120.915 4.292 1 T 3.346e+06 0.000e+00 a 0 0 0 0 0 >> 528 8.160 120.931 3.759 1 T 3.261e+06 0.000e+00 a 0 0 0 0 0 >> 529 8.156 120.967 3.815 1 T 2.763e+06 0.000e+00 a 0 0 0 0 0 >> 530 8.179 120.863 4.049 1 T 4.904e+06 0.000e+00 a 0 0 0 0 0 >> 531 8.167 120.879 3.457 1 T 1.781e+06 0.000e+00 a 0 0 0 0 0 >> 533 8.171 120.958 0.541 1 T 3.037e+06 0.000e+00 a 0 0 0 0 0 >> 534 8.167 120.901 0.899 1 T 5.053e+06 0.000e+00 a 0 0 0 0 0 >> 535 8.157 120.938 0.754 1 T 3.640e+06 0.000e+00 a 0 0 0 0 0 >> 536 8.158 120.928 0.691 1 T 3.696e+06 0.000e+00 a 0 0 0 0 0 >> 537 8.167 120.944 1.299 1 T 6.033e+06 0.000e+00 a 0 0 0 0 0 >> 538 8.172 120.913 1.689 1 T 6.608e+06 0.000e+00 a 0 0 0 0 0 >> 539 8.167 120.920 1.829 1 T 7.225e+06 0.000e+00 a 0 0 0 0 0 >> 541 8.165 120.932 4.117 1 T 3.321e+06 0.000e+00 a 0 0 0 0 0 >> 542 8.178 120.853 2.047 1 T 5.483e+06 0.000e+00 a 0 0 0 0 0 >> 543 8.174 120.857 1.923 1 T 5.032e+06 0.000e+00 a 0 0 0 0 0 >> 544 8.180 120.851 1.461 1 T 4.302e+06 0.000e+00 a 0 0 0 0 0 >> 545 8.395 119.931 0.769 1 T 3.802e+06 0.000e+00 a 0 0 0 0 0 >> 546 8.391 119.920 0.891 1 T 3.265e+06 0.000e+00 a 0 0 0 0 0 >> 549 8.386 119.921 1.349 1 T 2.585e+06 0.000e+00 a 0 0 0 0 0 >> 550 8.389 119.855 1.267 1 T 2.032e+06 0.000e+00 a 0 0 0 0 0 >> 552 8.384 119.932 0.940 1 T 2.711e+06 0.000e+00 a 0 0 0 0 0 >> 558 7.816 120.097 1.268 1 T 2.938e+06 0.000e+00 a 0 0 0 0 0 >> 559 7.836 120.059 1.270 1 T 3.335e+06 0.000e+00 a 0 0 0 0 0 >> 560 7.821 120.178 1.372 1 T 4.154e+06 0.000e+00 a 0 0 0 0 0 >> 561 7.823 120.154 1.450 1 T 3.590e+06 0.000e+00 a 0 0 0 0 0 >> 562 7.812 120.166 1.893 1 T 2.767e+06 0.000e+00 a 0 0 0 0 0 >> 563 7.819 120.193 2.686 1 T 2.382e+06 0.000e+00 a 0 0 0 0 0 >> 564 7.819 120.190 4.011 1 T 2.803e+06 0.000e+00 a 0 0 0 0 0 >> 565 7.270 117.802 1.372 8 T 1.784e+06 0.000e+00 a 0 0 0 0 0 >>5565 7.270 117.802 1.372 8 T 1.784e+06 0.000e+00 a 0 0 0 0 0 >> 566 7.270 117.845 1.506 1 T 3.942e+06 0.000e+00 a 0 0 0 0 0 >> 567 7.265 117.805 1.790 1 T 4.567e+06 0.000e+00 a 0 0 0 0 0 >> 568 7.271 117.785 1.886 8 T 2.386e+06 0.000e+00 a 0 0 0 0 0 >>5568 7.271 117.785 1.886 8 T 2.386e+06 0.000e+00 a 0 0 0 0 0 >> 569 7.261 117.823 1.940 8 T 2.565e+06 0.000e+00 a 0 0 0 0 0 >>5569 7.261 117.823 1.940 8 T 2.565e+06 0.000e+00 a 0 0 0 0 0 >> 570 7.266 117.803 3.056 1 T 2.104e+06 0.000e+00 a 0 0 0 0 0 >> 571 7.269 117.829 4.152 1 T 2.918e+06 0.000e+00 a 0 0 0 0 0 >> 572 7.263 117.852 7.691 1 T 3.391e+06 0.000e+00 a 0 0 0 0 0 >> 573 7.265 117.841 7.808 1 T 3.007e+06 0.000e+00 a 0 0 0 0 0 >> 574 7.263 117.789 0.920 1 T 1.919e+06 0.000e+00 a 0 0 0 0 0 >> 575 7.269 117.726 0.812 1 T 2.082e+06 0.000e+00 a 0 0 0 0 0 >> 576 7.691 108.775 1.369 1 T 4.475e+06 0.000e+00 a 0 0 0 0 0 >> 577 7.692 108.778 3.987 1 T 1.824e+06 0.000e+00 a 0 0 0 0 0 >> 578 7.690 108.783 4.131 1 T 1.765e+06 0.000e+00 a 0 0 0 0 0 >> 579 7.684 108.834 4.414 1 T 2.325e+06 0.000e+00 a 0 0 0 0 0 >> 580 7.684 108.797 4.511 1 T 2.927e+06 0.000e+00 a 0 0 0 0 0 >> 581 7.687 108.767 4.635 1 T 4.243e+06 0.000e+00 a 0 0 0 0 0 >> 582 7.682 108.811 4.549 1 T 2.735e+06 0.000e+00 a 0 0 0 0 0 >> 583 7.690 108.808 7.264 1 T 3.104e+06 0.000e+00 a 0 0 0 0 0 >> 584 7.685 108.810 7.821 1 T 3.402e+06 0.000e+00 a 0 0 0 0 0 >> 587 7.829 109.890 1.364 1 T 3.230e+06 0.000e+00 a 0 0 0 0 0 >> 588 7.822 109.851 2.732 8 T 1.226e+06 0.000e+00 a 0 0 0 0 0 >>5588 7.822 109.851 2.732 8 T 1.226e+06 0.000e+00 a 0 0 0 0 0 >> 589 7.824 109.904 3.994 1 T 3.471e+06 0.000e+00 a 0 0 0 0 0 >> 591 7.832 109.905 4.169 8 T 1.283e+06 0.000e+00 a 0 0 0 0 0 >>5591 7.832 109.905 4.169 8 T 1.283e+06 0.000e+00 a 0 0 0 0 0 >> 592 7.827 109.893 4.338 1 T 3.836e+06 0.000e+00 a 0 0 0 0 0 >> 593 7.826 109.855 4.428 1 T 2.899e+06 0.000e+00 a 0 0 0 0 0 >> 594 7.819 109.886 4.507 1 T 3.678e+06 0.000e+00 a 0 0 0 0 0 >> 596 7.823 109.892 7.678 1 T 4.147e+06 0.000e+00 a 0 0 0 0 0 >> 598 8.587 116.354 1.663 1 T 2.778e+06 0.000e+00 a 0 0 0 0 0 >> 599 8.580 116.442 1.816 1 T 2.947e+06 0.000e+00 a 0 0 0 0 0 >> 600 8.590 116.346 1.994 1 T 3.036e+06 0.000e+00 a 0 0 0 0 0 >> 601 7.188 105.645 0.823 1 T 2.202e+06 0.000e+00 a 0 0 0 0 0 >> 602 7.193 105.609 0.962 1 T 2.413e+06 0.000e+00 a 0 0 0 0 0 >> 603 7.175 105.826 1.827 1 T 2.160e+06 0.000e+00 a 0 0 0 0 0 >> 604 7.176 105.612 2.001 1 T 1.526e+06 0.000e+00 a 0 0 0 0 0 >> 608 7.580 123.526 1.825 1 T 2.038e+06 0.000e+00 a 0 0 0 0 0 >> 610 8.075 117.894 0.913 1 T 5.335e+06 0.000e+00 a 0 0 0 0 0 >> 611 8.082 117.891 0.981 1 T 3.514e+06 0.000e+00 a 0 0 0 0 0 >> 612 8.083 117.865 1.640 1 T 1.989e+06 0.000e+00 a 0 0 0 0 0 >> 613 8.075 117.870 2.059 1 T 2.191e+06 0.000e+00 a 0 0 0 0 0 >> 614 8.086 117.993 3.208 1 T 1.994e+06 0.000e+00 a 0 0 0 0 0 >> 615 8.078 117.862 7.573 1 T 1.887e+06 0.000e+00 a 0 0 0 0 0 >> 618 8.452 116.916 8.218 1 T 2.439e+06 0.000e+00 a 0 0 0 0 0 >> 619 8.454 116.865 6.923 1 T 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0 0 >> 862 8.686 119.402 2.445 1 T 1.491e+06 0.000e+00 a 0 0 0 0 0 >> 863 7.951 115.681 0.750 1 T 2.682e+06 0.000e+00 a 0 0 0 0 0 >> 864 7.955 115.857 0.988 1 T 2.085e+06 0.000e+00 a 0 0 0 0 0 >> 865 7.967 115.701 1.351 1 T 3.695e+06 0.000e+00 a 0 0 0 0 0 >> 866 7.947 115.699 2.125 1 T 2.723e+06 0.000e+00 a 0 0 0 0 0 >> 867 7.959 115.671 2.256 1 T 2.473e+06 0.000e+00 a 0 0 0 0 0 >> 868 7.956 115.732 3.991 1 T 3.143e+06 0.000e+00 a 0 0 0 0 0 >> 869 7.955 115.693 4.170 1 T 2.553e+06 0.000e+00 a 0 0 0 0 0 >> 870 7.950 115.708 4.366 1 T 2.139e+06 0.000e+00 a 0 0 0 0 0 >> 872 7.941 115.711 8.698 1 T 2.423e+06 0.000e+00 a 0 0 0 0 0 >> 873 7.970 115.721 8.667 1 T 2.191e+06 0.000e+00 a 0 0 0 0 0 >> 874 7.958 115.794 7.759 1 T 2.062e+06 0.000e+00 a 0 0 0 0 0 >> 879 8.737 120.321 2.001 1 T 3.780e+06 0.000e+00 a 0 0 0 0 0 >> 880 8.728 120.252 1.364 1 T 1.983e+06 0.000e+00 a 0 0 0 0 0 >> 881 8.725 120.278 4.149 1 T 2.271e+06 0.000e+00 a 0 0 0 0 0 >> 882 8.728 120.331 1.798 1 T 1.962e+06 0.000e+00 a 0 0 0 0 0 >> 883 8.723 120.241 1.880 1 T 2.040e+06 0.000e+00 a 0 0 0 0 0 >> 884 8.687 120.035 1.865 1 T 1.937e+06 0.000e+00 a 0 0 0 0 0 >> 885 8.690 120.266 1.789 1 T 1.909e+06 0.000e+00 a 0 0 0 0 0 >> 886 7.923 116.946 8.679 1 T 2.471e+06 0.000e+00 a 0 0 0 0 0 >> 887 7.938 117.070 2.467 1 T 2.256e+06 0.000e+00 a 0 0 0 0 0 >> 888 7.932 117.061 2.250 1 T 3.291e+06 0.000e+00 a 0 0 0 0 0 >> 889 7.931 117.023 2.324 1 T 2.327e+06 0.000e+00 a 0 0 0 0 0 >> 890 7.943 116.862 2.818 1 T 2.135e+06 0.000e+00 a 0 0 0 0 0 >> 891 8.161 120.913 3.890 1 T 2.172e+06 0.000e+00 a 0 0 0 0 0 >> 892 8.175 120.871 2.194 1 T 4.393e+06 0.000e+00 a 0 0 0 0 0 >> 893 8.179 120.828 2.254 1 T 3.607e+06 0.000e+00 a 0 0 0 0 0 >> 894 8.165 120.986 1.568 1 T 3.166e+06 0.000e+00 a 0 0 0 0 0 >> 897 8.840 121.628 0.870 1 T 2.079e+06 0.000e+00 a 0 0 0 0 0 >> 898 8.835 121.512 1.066 1 T 2.276e+06 0.000e+00 a 0 0 0 0 0 >> 899 8.846 121.588 1.914 1 T 2.663e+06 0.000e+00 a 0 0 0 0 0 >> 900 8.840 121.489 2.018 1 T 2.873e+06 0.000e+00 a 0 0 0 0 0 >> 901 8.842 121.567 4.088 1 T 1.462e+06 0.000e+00 a 0 0 0 0 0 >> 903 9.010 119.604 1.064 8 T 1.390e+06 0.000e+00 a 0 0 0 0 0 >>5903 9.010 119.604 1.064 8 T 1.390e+06 0.000e+00 a 0 0 0 0 0 >> 904 9.002 119.620 0.888 8 T 8.765e+05 0.000e+00 a 0 0 0 0 0 >>5904 9.002 119.620 0.888 8 T 8.765e+05 0.000e+00 a 0 0 0 0 0 >> 909 9.011 119.524 1.997 1 T 2.372e+06 0.000e+00 a 0 0 0 0 0 >> 911 9.006 119.567 2.356 1 T 2.775e+06 0.000e+00 a 0 0 0 0 0 >> 913 8.998 119.574 4.049 1 T 2.521e+06 0.000e+00 a 0 0 0 0 0 >> 917 7.566 120.198 0.878 1 T 1.786e+06 0.000e+00 a 0 0 0 0 0 >> 918 7.567 120.249 1.082 1 T 2.664e+06 0.000e+00 a 0 0 0 0 0 >> 919 7.564 120.229 1.512 1 T 4.162e+06 0.000e+00 a 0 0 0 0 0 >> 921 7.568 120.174 1.685 1 T 2.163e+06 0.000e+00 a 0 0 0 0 0 >> 922 7.570 120.216 1.792 1 T 1.943e+06 0.000e+00 a 0 0 0 0 0 >> 923 7.565 120.233 1.957 1 T 6.312e+06 0.000e+00 a 0 0 0 0 0 >> 924 7.566 120.226 2.042 1 T 6.903e+06 0.000e+00 a 0 0 0 0 0 >> 925 7.560 120.218 2.338 1 T 3.492e+06 0.000e+00 a 0 0 0 0 0 >> 927 7.562 120.229 4.050 1 T 2.902e+06 0.000e+00 a 0 0 0 0 0 >> 928 7.566 120.235 4.117 1 T 4.580e+06 0.000e+00 a 0 0 0 0 0 >> 929 7.563 120.216 4.229 1 T 1.769e+06 0.000e+00 a 0 0 0 0 0 >> 931 7.562 120.224 7.876 1 T 2.174e+06 0.000e+00 a 0 0 0 0 0 >> 932 7.570 120.213 8.995 1 T 2.128e+06 0.000e+00 a 0 0 0 0 0 >> 934 7.881 120.405 1.080 1 T 4.889e+06 0.000e+00 a 0 0 0 0 0 >> 936 7.879 120.385 1.522 1 T 3.635e+06 0.000e+00 a 0 0 0 0 0 >> 937 7.877 120.427 1.596 1 T 3.556e+06 0.000e+00 a 0 0 0 0 0 >> 938 7.880 120.445 1.810 8 T 2.344e+06 0.000e+00 a 0 0 0 0 0 >>5938 7.880 120.445 1.810 8 T 2.344e+06 0.000e+00 a 0 0 0 0 0 >> 939 7.876 120.413 2.035 1 T 7.935e+06 0.000e+00 a 0 0 0 0 0 >> 940 7.877 120.350 2.186 1 T 2.347e+06 0.000e+00 a 0 0 0 0 0 >> 942 7.886 120.499 4.125 1 T 3.354e+06 0.000e+00 a 0 0 0 0 0 >> 943 7.879 120.373 4.233 1 T 3.595e+06 0.000e+00 a 0 0 0 0 0 >> 944 7.870 120.440 7.563 1 T 3.161e+06 0.000e+00 a 0 0 0 0 0 >> 945 7.881 120.348 8.693 1 T 2.405e+06 0.000e+00 a 0 0 0 0 0 >> 946 8.687 118.139 0.934 1 T 5.273e+06 0.000e+00 a 0 0 0 0 0 >> 947 8.692 118.103 2.217 1 T 2.987e+06 0.000e+00 a 0 0 0 0 0 >> 948 8.685 118.103 2.062 1 T 2.831e+06 0.000e+00 a 0 0 0 0 0 >> 949 8.693 118.107 1.627 1 T 1.540e+06 0.000e+00 a 0 0 0 0 0 >> 950 8.689 118.080 2.359 1 T 1.755e+06 0.000e+00 a 0 0 0 0 0 >> 951 8.684 118.113 3.471 1 T 2.143e+06 0.000e+00 a 0 0 0 0 0 >> 952 8.687 118.138 4.128 1 T 1.859e+06 0.000e+00 a 0 0 0 0 0 >> 953 8.690 118.137 7.555 1 T 1.613e+06 0.000e+00 a 0 0 0 0 0 >> 954 8.685 118.090 7.875 1 T 1.413e+06 0.000e+00 a 0 0 0 0 0 >> 955 8.691 118.155 7.989 1 T 1.438e+06 0.000e+00 a 0 0 0 0 0 >> 956 7.992 122.645 0.914 1 T 4.831e+06 0.000e+00 a 0 0 0 0 0 >> 958 7.991 122.636 1.083 1 T 2.712e+06 0.000e+00 a 0 0 0 0 0 >> 959 8.016 122.699 0.929 1 T 3.310e+06 0.000e+00 a 0 0 0 0 0 >> 960 8.019 122.782 1.495 1 T 6.771e+06 0.000e+00 a 0 0 0 0 0 >> 961 7.996 122.642 1.513 1 T 2.774e+06 0.000e+00 a 0 0 0 0 0 >> 963 8.022 122.832 1.711 1 T 2.971e+06 0.000e+00 a 0 0 0 0 0 >> 964 8.020 122.813 1.837 1 T 9.554e+06 0.000e+00 a 0 0 0 0 0 >> 965 8.019 122.821 1.930 1 T 7.708e+06 0.000e+00 a 0 0 0 0 0 >> 967 7.992 122.624 2.270 1 T 6.211e+06 0.000e+00 a 0 0 0 0 0 >> 968 7.993 122.606 2.327 1 T 6.749e+06 0.000e+00 a 0 0 0 0 0 >> 969 7.995 122.635 2.485 1 T 4.822e+06 0.000e+00 a 0 0 0 0 0 >> 970 7.995 122.616 2.532 1 T 5.418e+06 0.000e+00 a 0 0 0 0 0 >> 971 7.993 122.642 4.036 1 T 3.184e+06 0.000e+00 a 0 0 0 0 0 >> 972 8.020 122.811 3.973 1 T 2.968e+06 0.000e+00 a 0 0 0 0 0 >> 973 8.018 122.803 4.406 1 T 1.063e+07 0.000e+00 a 0 0 0 0 0 >> 974 8.020 122.807 4.510 1 T 1.088e+07 0.000e+00 a 0 0 0 0 0 >> 975 8.005 122.677 8.727 1 T 4.731e+06 0.000e+00 a 0 0 0 0 0 >> 976 7.994 122.631 8.707 1 T 5.130e+06 0.000e+00 a 0 0 0 0 0 >> 977 7.986 122.638 4.103 1 T 2.344e+06 0.000e+00 a 0 0 0 0 0 >> 979 8.737 122.190 0.967 1 T 3.152e+06 0.000e+00 a 0 0 0 0 0 >> 980 8.738 122.201 0.910 1 T 3.591e+06 0.000e+00 a 0 0 0 0 0 >> 981 8.743 122.146 1.564 1 T 2.788e+06 0.000e+00 a 0 0 0 0 0 >> 982 8.741 122.161 1.825 1 T 2.224e+06 0.000e+00 a 0 0 0 0 0 >> 984 8.740 122.176 2.019 1 T 2.680e+06 0.000e+00 a 0 0 0 0 0 >> 985 8.737 122.190 2.269 1 T 5.015e+06 0.000e+00 a 0 0 0 0 0 >> 986 8.737 122.195 2.497 1 T 2.897e+06 0.000e+00 a 0 0 0 0 0 >> 987 8.734 122.207 2.697 1 T 3.902e+06 0.000e+00 a 0 0 0 0 0 >> 989 8.737 122.170 2.925 1 T 3.728e+06 0.000e+00 a 0 0 0 0 0 >> 990 8.732 122.198 4.047 1 T 2.167e+06 0.000e+00 a 0 0 0 0 0 >> 991 8.740 122.199 4.132 1 T 3.179e+06 0.000e+00 a 0 0 0 0 0 >> 992 8.739 122.146 4.246 1 T 2.533e+06 0.000e+00 a 0 0 0 0 0 >> 993 8.739 122.185 4.435 1 T 4.554e+06 0.000e+00 a 0 0 0 0 0 >> 994 8.738 122.135 7.847 1 T 1.734e+06 0.000e+00 a 0 0 0 0 0 >> 995 8.740 122.178 7.986 1 T 2.953e+06 0.000e+00 a 0 0 0 0 0 >> 996 8.730 122.181 8.413 1 T 1.856e+06 0.000e+00 a 0 0 0 0 0 >> 999 8.409 115.055 0.900 1 T 4.667e+06 0.000e+00 a 0 0 0 0 0 >>1000 8.411 115.062 0.963 1 T 4.075e+06 0.000e+00 a 0 0 0 0 0 >>1001 8.404 115.075 1.291 1 T 3.976e+06 0.000e+00 a 0 0 0 0 0 >>1002 8.408 115.057 2.016 1 T 2.211e+06 0.000e+00 a 0 0 0 0 0 >>1003 8.407 115.046 3.854 1 T 2.745e+06 0.000e+00 a 0 0 0 0 0 >>1004 8.409 115.011 4.354 1 T 2.490e+06 0.000e+00 a 0 0 0 0 0 >>1006 8.415 115.080 8.740 1 T 2.935e+06 0.000e+00 a 0 0 0 0 0 >>1007 8.412 114.955 7.855 1 T 1.681e+06 0.000e+00 a 0 0 0 0 0 >>1008 7.857 124.251 8.723 1 T 1.993e+06 0.000e+00 a 0 0 0 0 0 >>1009 7.854 124.224 8.412 1 T 3.131e+06 0.000e+00 a 0 0 0 0 0 >>1010 7.856 124.247 7.665 1 T 4.437e+06 0.000e+00 a 0 0 0 0 0 >>1011 7.857 124.259 4.437 1 T 2.421e+06 0.000e+00 a 0 0 0 0 0 >>1012 7.860 124.246 4.366 1 T 3.685e+06 0.000e+00 a 0 0 0 0 0 >>1013 7.857 124.238 4.216 1 T 6.719e+06 0.000e+00 a 0 0 0 0 0 >>1015 7.854 124.264 3.860 1 T 2.260e+06 0.000e+00 a 0 0 0 0 0 >>1016 7.853 124.267 4.031 1 T 2.797e+06 0.000e+00 a 0 0 0 0 0 >>1018 7.857 124.276 2.021 1 T 2.939e+06 0.000e+00 a 0 0 0 0 0 >>1019 7.853 124.191 1.846 1 T 3.151e+06 0.000e+00 a 0 0 0 0 0 >>1020 7.855 124.259 1.572 1 T 1.727e+07 0.000e+00 a 0 0 0 0 0 >>1021 7.857 124.273 1.287 1 T 5.061e+06 0.000e+00 a 0 0 0 0 0 >>1022 7.857 124.250 0.925 1 T 6.089e+06 0.000e+00 a 0 0 0 0 0 >>1025 7.667 118.977 7.855 1 T 4.520e+06 0.000e+00 a 0 0 0 0 0 >>1026 7.672 119.024 4.208 1 T 6.841e+06 0.000e+00 a 0 0 0 0 0 >>1027 7.677 119.001 1.745 1 T 3.302e+06 0.000e+00 a 0 0 0 0 0 >>1028 7.949 119.828 7.660 1 T 4.050e+06 0.000e+00 a 0 0 0 0 0 >>1029 7.950 119.811 4.160 1 T 7.625e+06 0.000e+00 a 0 0 0 0 0 >>1031 7.951 119.779 2.027 1 T 3.198e+06 0.000e+00 a 0 0 0 0 0 >>1032 7.952 119.802 1.828 1 T 9.508e+06 0.000e+00 a 0 0 0 0 0 >>1033 7.952 119.805 1.757 1 T 1.092e+07 0.000e+00 a 0 0 0 0 0 >>1034 7.949 119.808 1.583 8 T 2.266e+06 0.000e+00 a 0 0 0 0 0 >>6034 7.949 119.808 1.583 8 T 2.266e+06 0.000e+00 a 0 0 0 0 0 >>1035 7.954 119.784 1.282 1 T 2.292e+06 0.000e+00 a 0 0 0 0 0 >>1036 7.950 119.808 0.972 8 T 5.880e+06 0.000e+00 a 0 0 0 0 0 >>6036 7.950 119.808 0.972 8 T 5.880e+06 0.000e+00 a 0 0 0 0 0 >>1037 7.952 119.816 0.915 9 T 6.190e+06 0.000e+00 a 0 0 0 0 0 >>6037 7.952 119.816 0.915 9 T 6.190e+06 0.000e+00 a 0 0 0 0 0 >>1038 7.982 114.259 6.947 1 T 1.855e+06 0.000e+00 a 0 0 0 0 0 >>1039 7.951 114.294 6.956 1 T 5.977e+06 0.000e+00 a 0 0 0 0 0 >>1040 7.919 114.028 0.911 8 T 3.284e+06 0.000e+00 a 0 0 0 0 0 >>6040 7.919 114.028 0.911 8 T 3.284e+06 0.000e+00 a 0 0 0 0 0 >>1041 7.920 114.025 0.975 1 T 4.924e+06 0.000e+00 a 0 0 0 0 0 >>1042 7.918 114.040 1.286 1 T 1.814e+06 0.000e+00 a 0 0 0 0 0 >>1043 7.920 114.106 1.567 1 T 2.780e+06 0.000e+00 a 0 0 0 0 0 >>1045 7.918 114.020 1.743 1 T 5.663e+06 0.000e+00 a 0 0 0 0 0 >>1046 7.922 114.036 1.827 1 T 5.830e+06 0.000e+00 a 0 0 0 0 0 >>1047 7.917 114.096 2.047 1 T 1.712e+06 0.000e+00 a 0 0 0 0 0 >>1048 7.918 114.040 4.000 1 T 1.701e+07 0.000e+00 a 0 0 0 0 0 >>1049 7.919 114.035 4.205 1 T 5.455e+06 0.000e+00 a 0 0 0 0 0 >>1050 7.920 114.036 4.457 1 T 1.113e+07 0.000e+00 a 0 0 0 0 0 >>1052 7.920 113.998 7.669 1 T 2.083e+06 0.000e+00 a 0 0 0 0 0 >>1053 7.909 116.552 4.434 8 T 1.802e+06 0.000e+00 a 0 0 0 0 0 >>6053 7.909 116.552 4.434 8 T 1.802e+06 0.000e+00 a 0 0 0 0 0 >>1054 7.912 116.576 4.158 1 T 1.790e+06 0.000e+00 a 0 0 0 0 0 >>1055 8.010 122.775 8.251 1 T 1.391e+06 0.000e+00 a 0 0 0 0 0 >>1057 8.018 122.804 7.858 1 T 2.119e+06 0.000e+00 a 0 0 0 0 0 >>1058 8.019 122.760 4.112 1 T 1.995e+06 0.000e+00 a 0 0 0 0 0 >>1060 8.228 121.772 0.977 8 T 9.580e+05 0.000e+00 a 0 0 0 0 0 >>6060 8.228 121.772 0.977 8 T 9.580e+05 0.000e+00 a 0 0 0 0 0 >>1065 8.223 122.263 1.924 1 T 1.124e+07 0.000e+00 a 0 0 0 0 0 >>1066 8.225 122.275 2.043 1 T 7.332e+06 0.000e+00 a 0 0 0 0 0 >>1067 8.226 122.260 2.245 1 T 6.574e+06 0.000e+00 a 0 0 0 0 0 >>1068 8.222 122.260 2.963 1 T 5.182e+06 0.000e+00 a 0 0 0 0 0 >>1069 8.222 122.314 3.127 1 T 5.139e+06 0.000e+00 a 0 0 0 0 0 >>1070 8.225 122.217 4.337 1 T 8.481e+06 0.000e+00 a 0 0 0 0 0 >>1071 8.220 122.357 7.995 1 T 2.845e+06 0.000e+00 a 0 0 0 0 0 >>1073 7.851 125.982 1.505 1 T 4.087e+06 0.000e+00 a 0 0 0 0 0 >>1074 7.851 126.043 1.835 1 T 2.746e+06 0.000e+00 a 0 0 0 0 0 >>1075 7.856 125.920 1.968 1 T 2.691e+06 0.000e+00 a 0 0 0 0 0 >>1076 7.851 126.045 2.604 1 T 2.628e+07 0.000e+00 a 0 0 0 0 0 >>1077 7.853 125.978 2.782 1 T 4.406e+06 0.000e+00 a 0 0 0 0 0 >>1078 7.850 126.008 4.386 1 T 1.944e+07 0.000e+00 a 0 0 0 0 0 >>1080 7.850 126.005 8.229 1 T 1.027e+07 0.000e+00 a 0 0 0 0 0 >>1081 9.619 127.564 6.872 8 T 1.003e+06 0.000e+00 a 0 0 0 0 0 >>6081 9.619 127.564 6.872 8 T 1.003e+06 0.000e+00 a 0 0 0 0 0 >>1082 7.950 114.198 2.816 1 T 2.232e+06 0.000e+00 a 0 0 0 0 0 >>1083 6.903 113.730 7.699 1 T 8.256e+06 0.000e+00 a 0 0 0 0 0 >>1084 7.699 113.708 6.902 1 T 8.152e+06 0.000e+00 a 0 0 0 0 0 >>1085 7.601 112.716 6.917 1 T 1.724e+07 0.000e+00 a 0 0 0 0 0 >>1086 6.918 112.653 7.602 1 T 1.456e+07 0.000e+00 a 0 0 0 0 0 >>1088 7.404 111.740 2.453 1 T 2.318e+06 0.000e+00 a 0 0 0 0 0 >>1089 6.789 111.728 2.449 1 T 1.207e+06 0.000e+00 a 0 0 0 0 0 >>1093 6.707 111.002 7.361 1 T 2.449e+07 0.000e+00 a 0 0 0 0 0 >>1094 7.362 111.054 6.705 1 T 2.567e+07 0.000e+00 a 0 0 0 0 0 >>1095 6.818 110.800 2.525 1 T 2.083e+06 0.000e+00 a 0 0 0 0 0 >>1096 7.476 110.746 2.519 1 T 1.888e+06 0.000e+00 a 0 0 0 0 0 >>1097 7.478 110.775 6.816 1 T 1.536e+07 0.000e+00 a 0 0 0 0 0 >>1098 6.817 110.711 7.478 1 T 1.318e+07 0.000e+00 a 0 0 0 0 0 >>1099 6.505 109.029 7.163 1 T 8.542e+06 0.000e+00 a 0 0 0 0 0 >>1100 7.163 109.064 6.506 1 T 1.091e+07 0.000e+00 a 0 0 0 0 0 >>1103 7.369 118.066 0.925 1 T 2.995e+06 0.000e+00 a 0 0 0 0 0 >>1110 7.473 113.764 0.859 8 T 1.670e+06 0.000e+00 a 0 0 0 0 0 >>6110 7.473 113.764 0.859 8 T 1.670e+06 0.000e+00 a 0 0 0 0 0 >>1113 7.659 117.437 0.943 1 T 2.752e+06 0.000e+00 a 0 0 0 0 0 >>1115 7.794 120.401 2.884 1 T 3.801e+06 0.000e+00 a 0 0 0 0 0 >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 H-aromatic 2 aliased 13.9505 ppm . . . 4.7 . . 30543 5 >> 2 . . C 13 C-aromatic 1 aliased 28.9971 ppm . . . 125 . . 30543 5 >> 3 . . H 1 H . aliased 10.0 ppm . . . 4.7 . . 30543 5 >> >> stop_ >> >>save_ >> ; save_