data_34528 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of MLKL executioner domain in complex with a covalent inhibitor ; _BMRB_accession_number 34528 _BMRB_flat_file_name bmr34528.str _Entry_type original _Submission_date 2020-07-09 _Accession_date 2020-07-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ruebbelke M. . . 2 Bauer M. . . 3 Hamilton J. . . 4 Binder F. . . 5 Nar H. . . 6 Zeeb M. . . 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" 948 "13C chemical shifts" 532 "15N chemical shifts" 163 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-12-14 original BMRB . stop_ _Original_release_date 2020-07-19 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The xanthine class of covalent mixed lineage kinase domain-like protein inhibitors targets cysteine 86 as necrosulfonamide but employs a different mode of action ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ruebbelke M. . . 2 Dennis F. . . 3 Bauer M. . . 4 Binder F. . . 5 Hamilton J. . . 6 King J. . . 7 Thamm S. . . 8 Nar H. . . 9 Zeeb M. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Mixed lineage kinase domain-like protein,Mixed lineage kinase domain-like protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label unit_1 $entity_1 unit_2 $entity_QOK 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 18184.961 _Mol_thiol_state . _Details 'LIG = Cys86 covalently labelled with compound,LIG = Cys86 covalently labelled with compound' ############################## # Polymer residue sequence # ############################## _Residue_count 157 _Mol_residue_sequence ; GSPGENLKHIITLGQVIHKR CEEMKYCKKQCRRLGHRVLG LIKPLEMLQDQGKRSVPSEK LTTAMNRFKAALEEANGEIE KFSNRSNICRFLTASQDKIL FKDVNRKLSDVWKELSLLLQ VEQRMPVSPISQGASWAQED QQDADEDRRAFQMLRRD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 0 PRO 4 1 GLY 5 2 GLU 6 3 ASN 7 4 LEU 8 5 LYS 9 6 HIS 10 7 ILE 11 8 ILE 12 9 THR 13 10 LEU 14 11 GLY 15 12 GLN 16 13 VAL 17 14 ILE 18 15 HIS 19 16 LYS 20 17 ARG 21 18 CYS 22 19 GLU 23 20 GLU 24 21 MET 25 22 LYS 26 23 TYR 27 24 CYS 28 25 LYS 29 26 LYS 30 27 GLN 31 28 CYS 32 29 ARG 33 30 ARG 34 31 LEU 35 32 GLY 36 33 HIS 37 34 ARG 38 35 VAL 39 36 LEU 40 37 GLY 41 38 LEU 42 39 ILE 43 40 LYS 44 41 PRO 45 42 LEU 46 43 GLU 47 44 MET 48 45 LEU 49 46 GLN 50 47 ASP 51 48 GLN 52 49 GLY 53 50 LYS 54 51 ARG 55 52 SER 56 53 VAL 57 54 PRO 58 55 SER 59 56 GLU 60 57 LYS 61 58 LEU 62 59 THR 63 60 THR 64 61 ALA 65 62 MET 66 63 ASN 67 64 ARG 68 65 PHE 69 66 LYS 70 67 ALA 71 68 ALA 72 69 LEU 73 70 GLU 74 71 GLU 75 72 ALA 76 73 ASN 77 74 GLY 78 75 GLU 79 76 ILE 80 77 GLU 81 78 LYS 82 79 PHE 83 80 SER 84 81 ASN 85 82 ARG 86 83 SER 87 84 ASN 88 85 ILE 89 86 CYS 90 87 ARG 91 88 PHE 92 89 LEU 93 90 THR 94 91 ALA 95 92 SER 96 93 GLN 97 94 ASP 98 95 LYS 99 96 ILE 100 97 LEU 101 98 PHE 102 99 LYS 103 100 ASP 104 101 VAL 105 102 ASN 106 103 ARG 107 104 LYS 108 105 LEU 109 106 SER 110 107 ASP 111 108 VAL 112 109 TRP 113 110 LYS 114 111 GLU 115 112 LEU 116 113 SER 117 114 LEU 118 115 LEU 119 116 LEU 120 117 GLN 121 118 VAL 122 119 GLU 123 120 GLN 124 121 ARG 125 122 MET 126 123 PRO 127 124 VAL 128 125 SER 129 126 PRO 130 127 ILE 131 128 SER 132 129 GLN 133 130 GLY 134 131 ALA 135 132 SER 136 133 TRP 137 134 ALA 138 135 GLN 139 136 GLU 140 137 ASP 141 138 GLN 142 139 GLN 143 140 ASP 144 141 ALA 145 142 ASP 146 143 GLU 147 144 ASP 148 145 ARG 149 146 ARG 150 147 ALA 151 148 PHE 152 149 GLN 153 150 MET 154 151 LEU 155 152 ARG 156 153 ARG 157 154 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_QOK _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_QOK (7-(2-methoxyethoxymethyl)-1,3-dimethyl-purine-2,6-dione)" _BMRB_code QOK _PDB_code QOK _Molecular_mass 268.269 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N3 N3 N . 0 . ? C4 C4 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C17 C17 C . 0 . ? C1 C1 C . 0 . ? N9 N9 N . 0 . ? C14 C14 C . 0 . ? O10 O10 O . 0 . ? O13 O13 O . 0 . ? C16 C16 C . 0 . ? O18 O18 O . 0 . ? C19 C19 C . 0 . ? N6 N6 N . 0 . ? C2 C2 C . 0 . ? N5 N5 N . 0 . ? C11 C11 C . 0 . ? O15 O15 O . 0 . ? C12 C12 C . 0 . ? H1 H1 H . 0 . ? H27 H27 H . 0 . ? H28 H28 H . 0 . ? H37 H37 H . 0 . ? H38 H38 H . 0 . ? H33 H33 H . 0 . ? H32 H32 H . 0 . ? H34 H34 H . 0 . ? H35 H35 H . 0 . ? H36 H36 H . 0 . ? H40 H40 H . 0 . ? H39 H39 H . 0 . ? H41 H41 H . 0 . ? H30 H30 H . 0 . ? H29 H29 H . 0 . ? H31 H31 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C19 O18 ? ? SING O18 C17 ? ? SING C17 C16 ? ? SING C16 O13 ? ? SING O13 C8 ? ? DOUB C7 N6 ? ? SING C7 N3 ? ? SING N6 C2 ? ? SING C8 N3 ? ? SING N3 C1 ? ? DOUB C2 C1 ? ? SING C2 N5 ? ? SING C12 N5 ? ? SING C1 C4 ? ? SING N5 C11 ? ? DOUB C4 O10 ? ? SING C4 N9 ? ? SING C11 N9 ? ? DOUB C11 O15 ? ? SING N9 C14 ? ? SING C7 H1 ? ? SING C8 H27 ? ? SING C8 H28 ? ? SING C17 H37 ? ? SING C17 H38 ? ? SING C14 H33 ? ? SING C14 H32 ? ? SING C14 H34 ? ? SING C16 H35 ? ? SING C16 H36 ? ? SING C19 H40 ? ? SING C19 H39 ? ? SING C19 H41 ? ? SING C12 H30 ? ? SING C12 H29 ? ? SING C12 H31 ? ? 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 MLKL stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '340 uM [U-13C; U-15N] MLKL, 1200 uM Compound, 93% H2O/7% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 340 uM '[U-13C; U-15N]' $entity_QOK 1200 uM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '385 uM [U-13C; U-15N] MLKL, 840 uM Compound, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 385 uM '[U-13C; U-15N]' $entity_QOK 840 uM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version 3.98.9 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name 'CcpNmr Analysis' _Version 2.4.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TopSpin _Version 3.6 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TopSpin _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNccH_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNccH TOCSY' _Sample_label $sample_1 save_ save_3D_HNCC_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCC TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_3D_filt._1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D filt. 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_filt._1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D filt. 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 170 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 170 . mM pH 7.1 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.101329118 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNccH TOCSY' '3D HNCC TOCSY' '3D 1H-15N NOESY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HCCH-TOCSY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D filt. 1H-13C NOESY aliphatic' '3D filt. 1H-13C NOESY aromatic' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name unit_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 1 GLY HA2 H 3.861 0.000 . 2 -2 1 GLY HA3 H 3.906 0.000 . 3 -2 1 GLY CA C 43.258 0.001 . 4 -1 2 SER HA H 4.866 0.000 . 5 -1 2 SER HB2 H 3.961 0.000 . 6 -1 2 SER HB3 H 4.086 0.000 . 7 -1 2 SER CA C 56.792 0.000 . 8 -1 2 SER CB C 63.007 0.001 . 9 0 3 PRO HA H 4.452 0.000 . 10 0 3 PRO HB2 H 1.995 0.000 . 11 0 3 PRO HB3 H 2.374 0.000 . 12 0 3 PRO HG2 H 2.081 0.000 . 13 0 3 PRO HG3 H 2.181 0.000 . 14 0 3 PRO HD2 H 3.865 0.000 . 15 0 3 PRO HD3 H 3.949 0.000 . 16 0 3 PRO CA C 65.181 0.000 . 17 0 3 PRO CB C 31.911 0.004 . 18 0 3 PRO CG C 27.946 0.004 . 19 0 3 PRO CD C 50.645 0.010 . 20 1 4 GLY HA2 H 3.907 0.000 . 21 1 4 GLY HA3 H 4.001 0.000 . 22 1 4 GLY CA C 46.318 0.002 . 23 2 5 GLU H H 7.934 0.000 . 24 2 5 GLU HA H 4.093 0.000 . 25 2 5 GLU HB2 H 2.060 0.000 . 26 2 5 GLU HB3 H 2.060 0.000 . 27 2 5 GLU HG2 H 2.232 0.000 . 28 2 5 GLU HG3 H 2.232 0.000 . 29 2 5 GLU CA C 58.418 0.000 . 30 2 5 GLU CB C 29.652 0.000 . 31 2 5 GLU CG C 36.655 0.000 . 32 2 5 GLU N N 122.146 0.000 . 33 3 6 ASN HA H 4.572 0.000 . 34 3 6 ASN HB2 H 2.837 0.000 . 35 3 6 ASN HB3 H 2.957 0.000 . 36 3 6 ASN HD21 H 6.915 0.000 . 37 3 6 ASN HD22 H 7.705 0.000 . 38 3 6 ASN CA C 55.584 0.000 . 39 3 6 ASN CB C 37.935 0.002 . 40 3 6 ASN ND2 N 111.765 0.005 . 41 4 7 LEU H H 8.178 0.000 . 42 4 7 LEU HA H 4.088 0.000 . 43 4 7 LEU HB2 H 1.745 0.000 . 44 4 7 LEU HB3 H 1.781 0.000 . 45 4 7 LEU HG H 1.737 0.000 . 46 4 7 LEU HD1 H 0.963 0.000 . 47 4 7 LEU HD2 H 1.023 0.000 . 48 4 7 LEU CA C 58.244 0.000 . 49 4 7 LEU CB C 41.807 0.003 . 50 4 7 LEU CG C 27.266 0.000 . 51 4 7 LEU CD1 C 25.480 0.000 . 52 4 7 LEU CD2 C 24.927 0.000 . 53 4 7 LEU N N 120.580 0.000 . 54 5 8 LYS H H 7.766 0.000 . 55 5 8 LYS HA H 3.977 0.000 . 56 5 8 LYS HB2 H 1.890 0.000 . 57 5 8 LYS HB3 H 1.890 0.000 . 58 5 8 LYS HG2 H 1.415 0.000 . 59 5 8 LYS HG3 H 1.503 0.000 . 60 5 8 LYS HD2 H 1.665 0.000 . 61 5 8 LYS HD3 H 1.665 0.000 . 62 5 8 LYS HE2 H 2.939 0.000 . 63 5 8 LYS HE3 H 2.939 0.000 . 64 5 8 LYS CA C 59.692 0.000 . 65 5 8 LYS CB C 31.986 0.000 . 66 5 8 LYS CG C 24.927 0.005 . 67 5 8 LYS CD C 29.141 0.000 . 68 5 8 LYS CE C 41.850 0.000 . 69 5 8 LYS N N 118.187 0.000 . 70 6 9 HIS H H 8.103 0.000 . 71 6 9 HIS HA H 4.429 0.000 . 72 6 9 HIS HB2 H 3.245 0.000 . 73 6 9 HIS HB3 H 3.283 0.000 . 74 6 9 HIS HD2 H 6.945 0.000 . 75 6 9 HIS HE1 H 7.832 0.000 . 76 6 9 HIS CA C 58.992 0.000 . 77 6 9 HIS CB C 30.764 0.001 . 78 6 9 HIS CD2 C 118.670 0.000 . 79 6 9 HIS CE1 C 138.672 0.000 . 80 6 9 HIS N N 118.908 0.000 . 81 7 10 ILE H H 7.994 0.000 . 82 7 10 ILE HA H 3.414 0.000 . 83 7 10 ILE HB H 2.112 0.000 . 84 7 10 ILE HG12 H 0.741 0.000 . 85 7 10 ILE HG13 H 2.021 0.000 . 86 7 10 ILE HG2 H 0.890 0.000 . 87 7 10 ILE HD1 H 1.068 0.000 . 88 7 10 ILE CA C 66.163 0.000 . 89 7 10 ILE CB C 38.395 0.000 . 90 7 10 ILE CG1 C 30.830 0.008 . 91 7 10 ILE CG2 C 18.346 0.000 . 92 7 10 ILE CD1 C 14.632 0.000 . 93 7 10 ILE N N 120.319 0.000 . 94 8 11 ILE H H 8.143 0.000 . 95 8 11 ILE HA H 3.588 0.000 . 96 8 11 ILE HB H 1.849 0.000 . 97 8 11 ILE HG12 H 0.953 0.000 . 98 8 11 ILE HG13 H 1.796 0.000 . 99 8 11 ILE HG2 H 0.908 0.000 . 100 8 11 ILE HD1 H 0.765 0.000 . 101 8 11 ILE CA C 65.892 0.000 . 102 8 11 ILE CB C 38.612 0.000 . 103 8 11 ILE CG1 C 30.179 0.006 . 104 8 11 ILE CG2 C 17.469 0.000 . 105 8 11 ILE CD1 C 14.370 0.000 . 106 8 11 ILE N N 119.859 0.000 . 107 9 12 THR H H 8.291 0.000 . 108 9 12 THR HA H 3.892 0.000 . 109 9 12 THR HB H 4.224 0.000 . 110 9 12 THR HG2 H 1.242 0.000 . 111 9 12 THR CA C 66.760 0.000 . 112 9 12 THR CB C 68.867 0.000 . 113 9 12 THR CG2 C 21.627 0.000 . 114 9 12 THR N N 115.466 0.000 . 115 10 13 LEU H H 8.117 0.000 . 116 10 13 LEU HA H 4.040 0.000 . 117 10 13 LEU HB2 H 1.602 0.000 . 118 10 13 LEU HB3 H 1.681 0.000 . 119 10 13 LEU HG H 1.457 0.000 . 120 10 13 LEU HD1 H 0.802 0.000 . 121 10 13 LEU HD2 H 0.843 0.000 . 122 10 13 LEU CA C 57.841 0.000 . 123 10 13 LEU CB C 42.013 0.005 . 124 10 13 LEU CG C 27.353 0.000 . 125 10 13 LEU CD1 C 26.401 0.000 . 126 10 13 LEU CD2 C 23.591 0.000 . 127 10 13 LEU N N 122.364 0.000 . 128 11 14 GLY H H 8.614 0.000 . 129 11 14 GLY HA2 H 3.535 0.000 . 130 11 14 GLY HA3 H 3.633 0.000 . 131 11 14 GLY CA C 47.486 0.012 . 132 11 14 GLY N N 105.681 0.000 . 133 12 15 GLN H H 8.051 0.000 . 134 12 15 GLN HA H 4.011 0.000 . 135 12 15 GLN HB2 H 2.041 0.000 . 136 12 15 GLN HB3 H 2.432 0.000 . 137 12 15 GLN HG2 H 2.325 0.000 . 138 12 15 GLN HG3 H 2.665 0.000 . 139 12 15 GLN HE21 H 6.677 0.000 . 140 12 15 GLN HE22 H 7.261 0.000 . 141 12 15 GLN CA C 59.290 0.000 . 142 12 15 GLN CB C 27.615 0.038 . 143 12 15 GLN CG C 33.771 0.002 . 144 12 15 GLN N N 119.690 0.000 . 145 12 15 GLN NE2 N 110.860 0.001 . 146 13 16 VAL H H 8.473 0.000 . 147 13 16 VAL HA H 3.699 0.000 . 148 13 16 VAL HB H 2.366 0.000 . 149 13 16 VAL HG1 H 0.955 0.000 . 150 13 16 VAL HG2 H 1.087 0.000 . 151 13 16 VAL CA C 66.698 0.000 . 152 13 16 VAL CB C 31.745 0.000 . 153 13 16 VAL CG1 C 20.750 0.000 . 154 13 16 VAL CG2 C 23.144 0.000 . 155 13 16 VAL N N 123.083 0.000 . 156 14 17 ILE H H 8.558 0.000 . 157 14 17 ILE HA H 3.492 0.000 . 158 14 17 ILE HB H 2.008 0.000 . 159 14 17 ILE HG12 H 0.810 0.000 . 160 14 17 ILE HG13 H 1.795 0.000 . 161 14 17 ILE HG2 H 0.713 0.000 . 162 14 17 ILE HD1 H 0.858 0.000 . 163 14 17 ILE CA C 65.931 0.000 . 164 14 17 ILE CB C 38.201 0.000 . 165 14 17 ILE CG1 C 30.175 0.010 . 166 14 17 ILE CG2 C 16.980 0.000 . 167 14 17 ILE CD1 C 16.197 0.000 . 168 14 17 ILE N N 121.221 0.000 . 169 15 18 HIS H H 8.263 0.000 . 170 15 18 HIS HA H 3.935 0.000 . 171 15 18 HIS HB2 H 3.185 0.000 . 172 15 18 HIS HB3 H 3.185 0.000 . 173 15 18 HIS HD2 H 6.843 0.000 . 174 15 18 HIS HE1 H 7.663 0.000 . 175 15 18 HIS CA C 61.326 0.000 . 176 15 18 HIS CB C 29.784 0.000 . 177 15 18 HIS CD2 C 121.551 0.000 . 178 15 18 HIS CE1 C 137.863 0.000 . 179 15 18 HIS N N 119.243 0.000 . 180 16 19 LYS H H 7.835 0.000 . 181 16 19 LYS HA H 3.701 0.000 . 182 16 19 LYS HB2 H 1.951 0.000 . 183 16 19 LYS HB3 H 1.951 0.000 . 184 16 19 LYS HG2 H 1.388 0.000 . 185 16 19 LYS HG3 H 1.496 0.000 . 186 16 19 LYS HD2 H 1.668 0.000 . 187 16 19 LYS HD3 H 1.668 0.000 . 188 16 19 LYS HE2 H 2.941 0.000 . 189 16 19 LYS HE3 H 2.941 0.000 . 190 16 19 LYS CA C 59.475 0.000 . 191 16 19 LYS CB C 32.338 0.000 . 192 16 19 LYS CG C 24.811 0.007 . 193 16 19 LYS CD C 29.039 0.000 . 194 16 19 LYS CE C 41.880 0.000 . 195 16 19 LYS N N 118.815 0.000 . 196 17 20 ARG H H 8.438 0.000 . 197 17 20 ARG HA H 3.976 0.000 . 198 17 20 ARG HB2 H 1.933 0.000 . 199 17 20 ARG HB3 H 1.933 0.000 . 200 17 20 ARG HG2 H 1.713 0.000 . 201 17 20 ARG HG3 H 1.952 0.000 . 202 17 20 ARG HD2 H 3.081 0.000 . 203 17 20 ARG HD3 H 3.081 0.000 . 204 17 20 ARG CA C 59.227 0.000 . 205 17 20 ARG CB C 30.534 0.000 . 206 17 20 ARG CG C 27.754 0.011 . 207 17 20 ARG CD C 43.488 0.000 . 208 17 20 ARG N N 117.617 0.000 . 209 18 21 CYS H H 8.616 0.000 . 210 18 21 CYS HA H 3.907 0.000 . 211 18 21 CYS HB2 H 2.597 0.000 . 212 18 21 CYS HB3 H 3.099 0.000 . 213 18 21 CYS CA C 66.126 0.000 . 214 18 21 CYS CB C 27.307 0.021 . 215 18 21 CYS N N 118.584 0.000 . 216 19 22 GLU H H 7.672 0.000 . 217 19 22 GLU HA H 3.828 0.000 . 218 19 22 GLU HB2 H 1.953 0.000 . 219 19 22 GLU HB3 H 2.012 0.000 . 220 19 22 GLU HG2 H 1.951 0.000 . 221 19 22 GLU HG3 H 1.951 0.000 . 222 19 22 GLU CA C 58.343 0.000 . 223 19 22 GLU CB C 29.924 0.011 . 224 19 22 GLU CG C 36.346 0.000 . 225 19 22 GLU N N 118.526 0.000 . 226 20 23 GLU H H 7.214 0.000 . 227 20 23 GLU HA H 4.218 0.000 . 228 20 23 GLU HB2 H 1.954 0.000 . 229 20 23 GLU HB3 H 2.129 0.000 . 230 20 23 GLU HG2 H 2.238 0.000 . 231 20 23 GLU HG3 H 2.450 0.000 . 232 20 23 GLU CA C 55.804 0.000 . 233 20 23 GLU CB C 30.199 0.005 . 234 20 23 GLU CG C 36.384 0.006 . 235 20 23 GLU N N 115.347 0.000 . 236 21 24 MET H H 7.029 0.000 . 237 21 24 MET HA H 4.262 0.000 . 238 21 24 MET HB2 H 2.108 0.000 . 239 21 24 MET HB3 H 2.336 0.000 . 240 21 24 MET HG2 H 3.001 0.000 . 241 21 24 MET HG3 H 3.001 0.000 . 242 21 24 MET HE H 2.228 0.000 . 243 21 24 MET CA C 56.232 0.000 . 244 21 24 MET CB C 33.467 0.026 . 245 21 24 MET CG C 33.209 0.000 . 246 21 24 MET CE C 17.663 0.000 . 247 21 24 MET N N 120.881 0.000 . 248 22 25 LYS H H 8.775 0.000 . 249 22 25 LYS HA H 3.973 0.000 . 250 22 25 LYS HB2 H 0.969 0.000 . 251 22 25 LYS HB3 H 1.358 0.000 . 252 22 25 LYS HG2 H 1.255 0.000 . 253 22 25 LYS HG3 H 1.362 0.000 . 254 22 25 LYS HD2 H 1.609 0.000 . 255 22 25 LYS HD3 H 1.609 0.000 . 256 22 25 LYS HE2 H 3.007 0.000 . 257 22 25 LYS HE3 H 3.007 0.000 . 258 22 25 LYS CA C 56.834 0.000 . 259 22 25 LYS CB C 33.290 0.004 . 260 22 25 LYS CG C 25.087 0.001 . 261 22 25 LYS CD C 28.920 0.000 . 262 22 25 LYS CE C 41.955 0.000 . 263 22 25 LYS N N 120.305 0.000 . 264 23 26 TYR H H 7.098 0.000 . 265 23 26 TYR HA H 5.041 0.000 . 266 23 26 TYR HB2 H 2.652 0.000 . 267 23 26 TYR HB3 H 3.307 0.000 . 268 23 26 TYR HD1 H 7.284 0.000 . 269 23 26 TYR HD2 H 7.284 0.000 . 270 23 26 TYR HE1 H 6.927 0.000 . 271 23 26 TYR HE2 H 6.927 0.000 . 272 23 26 TYR CA C 54.451 0.000 . 273 23 26 TYR CB C 41.817 0.042 . 274 23 26 TYR CD1 C 133.964 0.000 . 275 23 26 TYR CD2 C 133.964 0.000 . 276 23 26 TYR CE1 C 118.425 0.000 . 277 23 26 TYR CE2 C 118.425 0.000 . 278 23 26 TYR N N 115.796 0.000 . 279 24 27 CYS H H 9.051 0.000 . 280 24 27 CYS HA H 3.765 0.000 . 281 24 27 CYS HB2 H 2.750 0.000 . 282 24 27 CYS HB3 H 2.914 0.000 . 283 24 27 CYS CA C 61.345 0.000 . 284 24 27 CYS CB C 26.570 0.003 . 285 24 27 CYS N N 113.581 0.000 . 286 25 28 LYS H H 8.369 0.000 . 287 25 28 LYS HA H 3.655 0.000 . 288 25 28 LYS HB2 H 1.689 0.000 . 289 25 28 LYS HB3 H 1.689 0.000 . 290 25 28 LYS HG2 H 1.240 0.000 . 291 25 28 LYS HG3 H 1.293 0.000 . 292 25 28 LYS HD2 H 1.651 0.000 . 293 25 28 LYS HD3 H 1.651 0.000 . 294 25 28 LYS HE2 H 2.979 0.000 . 295 25 28 LYS HE3 H 2.979 0.000 . 296 25 28 LYS CA C 60.819 0.000 . 297 25 28 LYS CB C 32.998 0.000 . 298 25 28 LYS CG C 25.892 0.009 . 299 25 28 LYS CD C 29.523 0.000 . 300 25 28 LYS CE C 41.628 0.000 . 301 25 28 LYS N N 116.637 0.000 . 302 26 29 LYS H H 10.708 0.000 . 303 26 29 LYS HA H 4.049 0.000 . 304 26 29 LYS HB2 H 1.818 0.000 . 305 26 29 LYS HB3 H 2.114 0.000 . 306 26 29 LYS HG2 H 1.402 0.000 . 307 26 29 LYS HG3 H 1.547 0.000 . 308 26 29 LYS HD2 H 1.951 0.000 . 309 26 29 LYS HD3 H 1.951 0.000 . 310 26 29 LYS HE2 H 2.971 0.000 . 311 26 29 LYS HE3 H 2.971 0.000 . 312 26 29 LYS CA C 58.689 0.000 . 313 26 29 LYS CB C 30.229 0.007 . 314 26 29 LYS CG C 24.621 0.011 . 315 26 29 LYS CD C 29.046 0.000 . 316 26 29 LYS CE C 41.793 0.000 . 317 26 29 LYS N N 121.333 0.000 . 318 27 30 GLN H H 9.209 0.000 . 319 27 30 GLN HA H 4.031 0.000 . 320 27 30 GLN HE21 H 9.307 0.000 . 321 27 30 GLN HE22 H 6.873 0.000 . 322 27 30 GLN CA C 59.686 0.000 . 323 27 30 GLN N N 119.964 0.000 . 324 27 30 GLN NE2 N 111.402 0.017 . 325 28 31 CYS H H 8.952 0.000 . 326 28 31 CYS HA H 4.270 0.000 . 327 28 31 CYS HB2 H 2.798 0.000 . 328 28 31 CYS HB3 H 2.990 0.000 . 329 28 31 CYS CA C 64.355 0.000 . 330 28 31 CYS CB C 26.328 0.005 . 331 28 31 CYS N N 119.505 0.000 . 332 29 32 ARG H H 8.710 0.000 . 333 29 32 ARG HA H 3.906 0.000 . 334 29 32 ARG HG2 H 1.512 0.000 . 335 29 32 ARG HG3 H 1.844 0.000 . 336 29 32 ARG CA C 59.356 0.000 . 337 29 32 ARG CG C 28.471 0.038 . 338 29 32 ARG N N 119.435 0.000 . 339 30 33 ARG H H 7.739 0.000 . 340 30 33 ARG HA H 3.958 0.000 . 341 30 33 ARG CA C 58.297 0.000 . 342 30 33 ARG N N 119.596 0.000 . 343 31 34 LEU H H 7.277 0.000 . 344 31 34 LEU HA H 4.100 0.000 . 345 31 34 LEU HB2 H 1.067 0.000 . 346 31 34 LEU HB3 H 1.795 0.000 . 347 31 34 LEU HG H 1.014 0.000 . 348 31 34 LEU HD1 H -0.249 0.000 . 349 31 34 LEU HD2 H 0.519 0.000 . 350 31 34 LEU CA C 58.188 0.000 . 351 31 34 LEU CB C 39.987 0.024 . 352 31 34 LEU CG C 27.076 0.000 . 353 31 34 LEU CD1 C 25.030 0.000 . 354 31 34 LEU CD2 C 22.481 0.000 . 355 31 34 LEU N N 120.822 0.000 . 356 32 35 GLY H H 7.968 0.000 . 357 32 35 GLY HA2 H 3.479 0.000 . 358 32 35 GLY HA3 H 4.084 0.000 . 359 32 35 GLY CA C 48.462 0.032 . 360 32 35 GLY N N 105.272 0.000 . 361 33 36 HIS H H 8.376 0.000 . 362 33 36 HIS HA H 4.266 0.000 . 363 33 36 HIS HB2 H 3.157 0.000 . 364 33 36 HIS HB3 H 3.221 0.000 . 365 33 36 HIS HD2 H 6.992 0.000 . 366 33 36 HIS HE1 H 7.895 0.000 . 367 33 36 HIS CA C 59.496 0.000 . 368 33 36 HIS CB C 30.477 0.009 . 369 33 36 HIS CD2 C 119.354 0.000 . 370 33 36 HIS CE1 C 138.038 0.000 . 371 33 36 HIS N N 120.793 0.000 . 372 34 37 ARG H H 8.760 0.000 . 373 34 37 ARG HA H 3.888 0.000 . 374 34 37 ARG HB2 H 1.595 0.000 . 375 34 37 ARG HB3 H 1.847 0.000 . 376 34 37 ARG HG2 H 0.778 0.000 . 377 34 37 ARG HD2 H 3.179 0.000 . 378 34 37 ARG HD3 H 3.179 0.000 . 379 34 37 ARG CA C 59.559 0.000 . 380 34 37 ARG CB C 30.143 0.007 . 381 34 37 ARG CD C 43.392 0.000 . 382 34 37 ARG N N 121.758 0.000 . 383 35 38 VAL H H 8.514 0.000 . 384 35 38 VAL HA H 3.456 0.000 . 385 35 38 VAL HB H 2.168 0.000 . 386 35 38 VAL HG1 H 0.918 0.000 . 387 35 38 VAL HG2 H 0.945 0.000 . 388 35 38 VAL CA C 68.052 0.000 . 389 35 38 VAL CB C 31.283 0.000 . 390 35 38 VAL CG1 C 23.834 0.000 . 391 35 38 VAL CG2 C 22.949 0.000 . 392 35 38 VAL N N 118.565 0.000 . 393 36 39 LEU H H 7.954 0.000 . 394 36 39 LEU HA H 3.928 0.000 . 395 36 39 LEU HB2 H 1.379 0.000 . 396 36 39 LEU HB3 H 1.581 0.000 . 397 36 39 LEU HG H 1.567 0.000 . 398 36 39 LEU HD1 H 0.273 0.000 . 399 36 39 LEU HD2 H 0.428 0.000 . 400 36 39 LEU CA C 57.876 0.000 . 401 36 39 LEU CB C 41.388 0.004 . 402 36 39 LEU CG C 26.095 0.000 . 403 36 39 LEU CD1 C 24.028 0.000 . 404 36 39 LEU CD2 C 22.472 0.000 . 405 36 39 LEU N N 118.139 0.000 . 406 37 40 GLY H H 7.802 0.000 . 407 37 40 GLY HA2 H 3.761 0.000 . 408 37 40 GLY HA3 H 3.792 0.000 . 409 37 40 GLY CA C 46.693 0.003 . 410 37 40 GLY N N 105.177 0.000 . 411 38 41 LEU H H 7.852 0.000 . 412 38 41 LEU HA H 3.619 0.000 . 413 38 41 LEU HB2 H 1.019 0.000 . 414 38 41 LEU HB3 H 1.857 0.000 . 415 38 41 LEU HG H 1.838 0.000 . 416 38 41 LEU HD1 H -0.085 0.000 . 417 38 41 LEU HD2 H 0.804 0.000 . 418 38 41 LEU CA C 56.636 0.000 . 419 38 41 LEU CB C 41.770 0.026 . 420 38 41 LEU CG C 25.979 0.000 . 421 38 41 LEU CD1 C 21.014 0.000 . 422 38 41 LEU CD2 C 25.784 0.000 . 423 38 41 LEU N N 121.006 0.000 . 424 39 42 ILE H H 7.608 0.000 . 425 39 42 ILE HA H 4.291 0.000 . 426 39 42 ILE HB H 2.165 0.000 . 427 39 42 ILE HG12 H 1.584 0.000 . 428 39 42 ILE HG13 H 1.669 0.000 . 429 39 42 ILE HG2 H 1.102 0.000 . 430 39 42 ILE HD1 H 0.967 0.000 . 431 39 42 ILE CA C 62.705 0.000 . 432 39 42 ILE CB C 38.487 0.000 . 433 39 42 ILE CG1 C 27.769 0.004 . 434 39 42 ILE CG2 C 18.753 0.000 . 435 39 42 ILE CD1 C 14.688 0.000 . 436 39 42 ILE N N 108.209 0.000 . 437 40 43 LYS H H 7.580 0.000 . 438 40 43 LYS HA H 4.541 0.000 . 439 40 43 LYS HB2 H 1.979 0.000 . 440 40 43 LYS HB3 H 2.026 0.000 . 441 40 43 LYS HG2 H 1.550 0.000 . 442 40 43 LYS HG3 H 1.582 0.000 . 443 40 43 LYS HD2 H 1.741 0.000 . 444 40 43 LYS HD3 H 1.741 0.000 . 445 40 43 LYS HE2 H 2.939 0.000 . 446 40 43 LYS HE3 H 2.939 0.000 . 447 40 43 LYS CA C 60.611 0.000 . 448 40 43 LYS CB C 29.258 0.004 . 449 40 43 LYS CG C 24.792 0.002 . 450 40 43 LYS CD C 28.439 0.000 . 451 40 43 LYS CE C 41.768 0.000 . 452 40 43 LYS N N 123.082 0.000 . 453 41 44 PRO HA H 4.480 0.000 . 454 41 44 PRO HB2 H 1.801 0.000 . 455 41 44 PRO HB3 H 2.469 0.000 . 456 41 44 PRO HG2 H 2.175 0.000 . 457 41 44 PRO HG3 H 2.233 0.000 . 458 41 44 PRO HD2 H 3.627 0.000 . 459 41 44 PRO HD3 H 3.973 0.000 . 460 41 44 PRO CA C 65.623 0.000 . 461 41 44 PRO CB C 31.578 0.005 . 462 41 44 PRO CG C 28.492 0.000 . 463 41 44 PRO CD C 50.315 0.004 . 464 42 45 LEU H H 7.160 0.000 . 465 42 45 LEU HA H 4.130 0.000 . 466 42 45 LEU HB2 H 1.557 0.000 . 467 42 45 LEU HB3 H 2.238 0.000 . 468 42 45 LEU HG H 2.022 0.000 . 469 42 45 LEU HD1 H 0.929 0.000 . 470 42 45 LEU HD2 H 1.074 0.000 . 471 42 45 LEU CA C 57.322 0.000 . 472 42 45 LEU CB C 40.118 0.042 . 473 42 45 LEU CG C 27.384 0.000 . 474 42 45 LEU CD1 C 23.469 0.000 . 475 42 45 LEU CD2 C 26.476 0.000 . 476 42 45 LEU N N 115.351 0.000 . 477 43 46 GLU H H 8.306 0.000 . 478 43 46 GLU HA H 3.940 0.000 . 479 43 46 GLU HB2 H 2.266 0.000 . 480 43 46 GLU HB3 H 2.358 0.000 . 481 43 46 GLU HG2 H 2.138 0.000 . 482 43 46 GLU HG3 H 2.426 0.000 . 483 43 46 GLU CA C 59.701 0.000 . 484 43 46 GLU CB C 30.035 0.004 . 485 43 46 GLU CG C 37.915 0.001 . 486 43 46 GLU N N 120.065 0.000 . 487 44 47 MET H H 7.779 0.000 . 488 44 47 MET HA H 4.279 0.000 . 489 44 47 MET HB2 H 2.226 0.000 . 490 44 47 MET HB3 H 2.226 0.000 . 491 44 47 MET HG2 H 2.617 0.000 . 492 44 47 MET HG3 H 2.761 0.000 . 493 44 47 MET HE H 2.125 0.000 . 494 44 47 MET CA C 57.997 0.000 . 495 44 47 MET CB C 32.447 0.000 . 496 44 47 MET CG C 32.150 0.002 . 497 44 47 MET CE C 17.006 0.000 . 498 44 47 MET N N 117.172 0.000 . 499 45 48 LEU H H 7.767 0.000 . 500 45 48 LEU HA H 4.133 0.000 . 501 45 48 LEU HB2 H 1.828 0.000 . 502 45 48 LEU HB3 H 1.828 0.000 . 503 45 48 LEU HD1 H 0.870 0.000 . 504 45 48 LEU HD2 H 0.939 0.000 . 505 45 48 LEU CA C 57.049 0.000 . 506 45 48 LEU CB C 42.046 0.000 . 507 45 48 LEU CD1 C 24.464 0.000 . 508 45 48 LEU CD2 C 25.121 0.000 . 509 45 48 LEU N N 120.492 0.000 . 510 46 49 GLN H H 7.998 0.000 . 511 46 49 GLN HA H 4.089 0.000 . 512 46 49 GLN HB2 H 2.075 0.000 . 513 46 49 GLN HB3 H 2.213 0.000 . 514 46 49 GLN HG2 H 2.329 0.000 . 515 46 49 GLN HG3 H 2.329 0.000 . 516 46 49 GLN HE21 H 7.597 0.000 . 517 46 49 GLN HE22 H 6.798 0.000 . 518 46 49 GLN CA C 57.834 0.000 . 519 46 49 GLN CB C 29.214 0.003 . 520 46 49 GLN CG C 34.249 0.000 . 521 46 49 GLN N N 118.997 0.000 . 522 46 49 GLN NE2 N 110.422 0.005 . 523 47 50 ASP H H 8.037 0.000 . 524 47 50 ASP HA H 4.566 0.000 . 525 47 50 ASP CA C 55.509 0.000 . 526 47 50 ASP N N 119.279 0.000 . 527 48 51 GLN H H 8.068 0.000 . 528 48 51 GLN HA H 4.254 0.000 . 529 48 51 GLN HB2 H 2.119 0.000 . 530 48 51 GLN HB3 H 2.219 0.000 . 531 48 51 GLN HG2 H 2.462 0.000 . 532 48 51 GLN HG3 H 2.532 0.000 . 533 48 51 GLN HE21 H 6.946 0.000 . 534 48 51 GLN HE22 H 7.564 0.000 . 535 48 51 GLN CA C 56.578 0.000 . 536 48 51 GLN CB C 29.050 0.000 . 537 48 51 GLN CG C 33.953 0.004 . 538 48 51 GLN N N 118.834 0.000 . 539 48 51 GLN NE2 N 112.092 0.001 . 540 49 52 GLY H H 8.223 0.000 . 541 49 52 GLY HA2 H 3.962 0.000 . 542 49 52 GLY HA3 H 3.962 0.000 . 543 49 52 GLY CA C 45.917 0.000 . 544 49 52 GLY N N 108.394 0.000 . 545 50 53 LYS H H 8.247 0.000 . 546 50 53 LYS HA H 4.312 0.000 . 547 50 53 LYS HB2 H 1.792 0.000 . 548 50 53 LYS HB3 H 1.886 0.000 . 549 50 53 LYS HG2 H 1.419 0.000 . 550 50 53 LYS HG3 H 1.474 0.000 . 551 50 53 LYS HD2 H 1.698 0.000 . 552 50 53 LYS HD3 H 1.698 0.000 . 553 50 53 LYS HE2 H 3.004 0.000 . 554 50 53 LYS HE3 H 3.004 0.000 . 555 50 53 LYS CA C 56.537 0.000 . 556 50 53 LYS CB C 32.603 0.001 . 557 50 53 LYS CG C 24.906 0.001 . 558 50 53 LYS CD C 29.011 0.000 . 559 50 53 LYS CE C 41.853 0.000 . 560 50 53 LYS N N 120.645 0.000 . 561 51 54 ARG H H 8.333 0.000 . 562 51 54 ARG HA H 4.419 0.000 . 563 51 54 ARG HB2 H 1.813 0.000 . 564 51 54 ARG HB3 H 1.941 0.000 . 565 51 54 ARG HG2 H 1.648 0.000 . 566 51 54 ARG HG3 H 1.648 0.000 . 567 51 54 ARG HD2 H 3.214 0.000 . 568 51 54 ARG HD3 H 3.214 0.000 . 569 51 54 ARG CA C 56.051 0.000 . 570 51 54 ARG CB C 30.855 0.004 . 571 51 54 ARG CG C 27.218 0.000 . 572 51 54 ARG CD C 43.333 0.000 . 573 51 54 ARG N N 120.940 0.000 . 574 52 55 SER H H 8.200 0.000 . 575 52 55 SER HA H 4.534 0.000 . 576 52 55 SER HB2 H 3.792 0.000 . 577 52 55 SER HB3 H 3.838 0.000 . 578 52 55 SER CA C 57.726 0.000 . 579 52 55 SER CB C 64.130 0.000 . 580 52 55 SER N N 116.735 0.000 . 581 53 56 VAL H H 8.472 0.000 . 582 53 56 VAL HA H 4.323 0.000 . 583 53 56 VAL HB H 2.055 0.000 . 584 53 56 VAL HG1 H 1.002 0.000 . 585 53 56 VAL HG2 H 1.002 0.000 . 586 53 56 VAL CA C 60.308 0.000 . 587 53 56 VAL CB C 32.521 0.000 . 588 53 56 VAL CG1 C 20.886 0.000 . 589 53 56 VAL CG2 C 20.886 0.000 . 590 53 56 VAL N N 124.479 0.000 . 591 54 57 PRO HA H 4.450 0.000 . 592 54 57 PRO HB2 H 2.015 0.000 . 593 54 57 PRO HB3 H 2.092 0.000 . 594 54 57 PRO HG2 H 1.905 0.000 . 595 54 57 PRO HG3 H 2.075 0.000 . 596 54 57 PRO HD2 H 3.722 0.000 . 597 54 57 PRO HD3 H 3.916 0.000 . 598 54 57 PRO CA C 62.898 0.000 . 599 54 57 PRO CB C 32.344 0.006 . 600 54 57 PRO CG C 27.425 0.005 . 601 54 57 PRO CD C 51.048 0.007 . 602 55 58 SER H H 9.007 0.000 . 603 55 58 SER HA H 4.384 0.000 . 604 55 58 SER HB2 H 4.056 0.000 . 605 55 58 SER HB3 H 4.311 0.000 . 606 55 58 SER CA C 58.068 0.000 . 607 55 58 SER CB C 64.102 0.004 . 608 55 58 SER N N 119.644 0.000 . 609 56 59 GLU H H 9.102 0.000 . 610 56 59 GLU HA H 4.150 0.000 . 611 56 59 GLU HB2 H 2.106 0.000 . 612 56 59 GLU HB3 H 2.106 0.000 . 613 56 59 GLU HG2 H 2.288 0.000 . 614 56 59 GLU HG3 H 2.375 0.000 . 615 56 59 GLU CA C 59.758 0.000 . 616 56 59 GLU CB C 29.187 0.000 . 617 56 59 GLU CG C 36.370 0.005 . 618 56 59 GLU N N 123.266 0.000 . 619 57 60 LYS H H 8.280 0.000 . 620 57 60 LYS HA H 4.033 0.000 . 621 57 60 LYS HB2 H 1.777 0.000 . 622 57 60 LYS HB3 H 1.848 0.000 . 623 57 60 LYS HG2 H 1.476 0.000 . 624 57 60 LYS HG3 H 1.642 0.000 . 625 57 60 LYS HD2 H 1.732 0.000 . 626 57 60 LYS HD3 H 1.732 0.000 . 627 57 60 LYS HE2 H 3.001 0.000 . 628 57 60 LYS HE3 H 3.001 0.000 . 629 57 60 LYS CA C 59.732 0.000 . 630 57 60 LYS CB C 32.666 0.005 . 631 57 60 LYS CG C 25.849 0.002 . 632 57 60 LYS CD C 29.042 0.000 . 633 57 60 LYS CE C 41.757 0.000 . 634 57 60 LYS N N 119.250 0.000 . 635 58 61 LEU H H 8.417 0.000 . 636 58 61 LEU HA H 4.129 0.000 . 637 58 61 LEU HB2 H 1.560 0.000 . 638 58 61 LEU HB3 H 2.038 0.000 . 639 58 61 LEU HG H 1.576 0.000 . 640 58 61 LEU HD1 H 0.878 0.000 . 641 58 61 LEU HD2 H 0.914 0.000 . 642 58 61 LEU CA C 58.028 0.000 . 643 58 61 LEU CB C 40.403 0.003 . 644 58 61 LEU CG C 27.594 0.000 . 645 58 61 LEU CD1 C 24.333 0.000 . 646 58 61 LEU CD2 C 26.385 0.000 . 647 58 61 LEU N N 123.012 0.000 . 648 59 62 THR H H 8.776 0.000 . 649 59 62 THR HA H 3.829 0.000 . 650 59 62 THR HB H 4.335 0.000 . 651 59 62 THR HG2 H 1.232 0.000 . 652 59 62 THR CA C 67.426 0.000 . 653 59 62 THR CB C 68.337 0.000 . 654 59 62 THR CG2 C 22.012 0.000 . 655 59 62 THR N N 118.459 0.000 . 656 60 63 THR H H 8.467 0.000 . 657 60 63 THR HA H 4.003 0.000 . 658 60 63 THR HB H 4.267 0.000 . 659 60 63 THR HG2 H 1.279 0.000 . 660 60 63 THR CA C 66.981 0.000 . 661 60 63 THR CB C 68.445 0.000 . 662 60 63 THR CG2 C 21.692 0.000 . 663 60 63 THR N N 118.700 0.000 . 664 61 64 ALA H H 8.033 0.000 . 665 61 64 ALA HA H 4.161 0.000 . 666 61 64 ALA HB H 1.445 0.000 . 667 61 64 ALA CA C 55.652 0.000 . 668 61 64 ALA CB C 18.665 0.000 . 669 61 64 ALA N N 125.032 0.000 . 670 62 65 MET H H 9.006 0.000 . 671 62 65 MET HA H 4.138 0.000 . 672 62 65 MET HB2 H 2.061 0.000 . 673 62 65 MET HB3 H 2.061 0.000 . 674 62 65 MET HG2 H 2.392 0.000 . 675 62 65 MET HG3 H 2.776 0.000 . 676 62 65 MET HE H 2.044 0.000 . 677 62 65 MET CA C 59.730 0.000 . 678 62 65 MET CB C 32.671 0.000 . 679 62 65 MET CG C 33.466 0.000 . 680 62 65 MET CE C 17.101 0.000 . 681 62 65 MET N N 118.920 0.000 . 682 63 66 ASN H H 8.480 0.000 . 683 63 66 ASN HA H 4.628 0.000 . 684 63 66 ASN HB2 H 2.876 0.000 . 685 63 66 ASN HB3 H 3.100 0.000 . 686 63 66 ASN HD21 H 6.973 0.000 . 687 63 66 ASN HD22 H 7.678 0.000 . 688 63 66 ASN CA C 56.055 0.000 . 689 63 66 ASN CB C 37.457 0.004 . 690 63 66 ASN N N 119.843 0.000 . 691 63 66 ASN ND2 N 111.792 0.008 . 692 64 67 ARG H H 8.453 0.000 . 693 64 67 ARG HA H 4.234 0.000 . 694 64 67 ARG HB2 H 1.996 0.000 . 695 64 67 ARG HB3 H 1.996 0.000 . 696 64 67 ARG HG2 H 1.732 0.000 . 697 64 67 ARG HG3 H 1.999 0.000 . 698 64 67 ARG HD2 H 3.269 0.000 . 699 64 67 ARG HD3 H 3.269 0.000 . 700 64 67 ARG CA C 59.691 0.000 . 701 64 67 ARG CB C 30.563 0.000 . 702 64 67 ARG CG C 28.217 0.016 . 703 64 67 ARG CD C 43.709 0.000 . 704 64 67 ARG N N 122.923 0.000 . 705 65 68 PHE H H 8.587 0.000 . 706 65 68 PHE HA H 4.536 0.000 . 707 65 68 PHE HB2 H 3.322 0.000 . 708 65 68 PHE HB3 H 3.434 0.000 . 709 65 68 PHE HD1 H 7.230 0.000 . 710 65 68 PHE HD2 H 7.230 0.000 . 711 65 68 PHE HE1 H 7.230 0.000 . 712 65 68 PHE HE2 H 7.230 0.000 . 713 65 68 PHE HZ H 7.137 0.000 . 714 65 68 PHE CA C 60.312 0.000 . 715 65 68 PHE CB C 39.362 0.021 . 716 65 68 PHE CD1 C 131.181 0.000 . 717 65 68 PHE CD2 C 131.181 0.000 . 718 65 68 PHE CE1 C 131.181 0.000 . 719 65 68 PHE CE2 C 131.181 0.000 . 720 65 68 PHE CZ C 129.684 0.000 . 721 65 68 PHE N N 123.161 0.000 . 722 66 69 LYS H H 8.820 0.000 . 723 66 69 LYS HA H 3.593 0.000 . 724 66 69 LYS HB2 H 1.876 0.000 . 725 66 69 LYS HB3 H 2.176 0.000 . 726 66 69 LYS HG2 H 1.280 0.000 . 727 66 69 LYS HG3 H 1.416 0.000 . 728 66 69 LYS HE2 H 2.888 0.000 . 729 66 69 LYS HE3 H 2.888 0.000 . 730 66 69 LYS CA C 60.631 0.000 . 731 66 69 LYS CB C 32.290 0.000 . 732 66 69 LYS CG C 24.823 0.005 . 733 66 69 LYS CE C 41.496 0.000 . 734 66 69 LYS N N 120.301 0.000 . 735 67 70 ALA H H 7.955 0.000 . 736 67 70 ALA HA H 4.266 0.000 . 737 67 70 ALA HB H 1.544 0.000 . 738 67 70 ALA CA C 54.940 0.000 . 739 67 70 ALA CB C 17.839 0.000 . 740 67 70 ALA N N 119.035 0.000 . 741 68 71 ALA H H 7.966 0.000 . 742 68 71 ALA HA H 4.211 0.000 . 743 68 71 ALA HB H 1.557 0.000 . 744 68 71 ALA CA C 55.085 0.000 . 745 68 71 ALA CB C 17.851 0.000 . 746 68 71 ALA N N 122.267 0.000 . 747 69 72 LEU H H 8.196 0.000 . 748 69 72 LEU HA H 3.871 0.000 . 749 69 72 LEU HB2 H 1.095 0.000 . 750 69 72 LEU HB3 H 2.041 0.000 . 751 69 72 LEU HG H 1.173 0.000 . 752 69 72 LEU HD1 H 0.382 0.000 . 753 69 72 LEU HD2 H 0.543 0.000 . 754 69 72 LEU CA C 57.575 0.000 . 755 69 72 LEU CB C 41.459 0.045 . 756 69 72 LEU CG C 25.992 0.000 . 757 69 72 LEU CD1 C 27.178 0.000 . 758 69 72 LEU CD2 C 23.319 0.000 . 759 69 72 LEU N N 118.999 0.000 . 760 70 73 GLU H H 8.689 0.000 . 761 70 73 GLU HA H 3.949 0.000 . 762 70 73 GLU HB2 H 1.995 0.000 . 763 70 73 GLU HB3 H 2.216 0.000 . 764 70 73 GLU HG2 H 2.217 0.000 . 765 70 73 GLU HG3 H 2.502 0.000 . 766 70 73 GLU CA C 59.882 0.000 . 767 70 73 GLU CB C 29.048 0.007 . 768 70 73 GLU CG C 37.248 0.005 . 769 70 73 GLU N N 120.550 0.000 . 770 71 74 GLU H H 8.277 0.000 . 771 71 74 GLU HA H 4.077 0.000 . 772 71 74 GLU HB2 H 2.105 0.000 . 773 71 74 GLU HB3 H 2.217 0.000 . 774 71 74 GLU HG2 H 2.099 0.000 . 775 71 74 GLU HG3 H 2.099 0.000 . 776 71 74 GLU CA C 59.594 0.000 . 777 71 74 GLU CB C 29.294 0.000 . 778 71 74 GLU CG C 36.417 0.000 . 779 71 74 GLU N N 122.174 0.000 . 780 72 75 ALA H H 8.450 0.000 . 781 72 75 ALA HA H 3.920 0.000 . 782 72 75 ALA HB H 1.436 0.000 . 783 72 75 ALA CA C 55.869 0.000 . 784 72 75 ALA CB C 17.142 0.000 . 785 72 75 ALA N N 123.029 0.000 . 786 73 76 ASN H H 8.610 0.000 . 787 73 76 ASN HA H 4.476 0.000 . 788 73 76 ASN HB2 H 2.524 0.000 . 789 73 76 ASN HB3 H 2.918 0.000 . 790 73 76 ASN HD21 H 6.442 0.000 . 791 73 76 ASN HD22 H 7.539 0.000 . 792 73 76 ASN CA C 56.211 0.000 . 793 73 76 ASN CB C 38.745 0.009 . 794 73 76 ASN N N 115.813 0.000 . 795 73 76 ASN ND2 N 110.380 0.000 . 796 74 77 GLY H H 8.137 0.000 . 797 74 77 GLY HA2 H 3.889 0.000 . 798 74 77 GLY HA3 H 3.964 0.000 . 799 74 77 GLY CA C 46.853 0.008 . 800 74 77 GLY N N 105.531 0.000 . 801 75 78 GLU H H 8.111 0.000 . 802 75 78 GLU HA H 3.991 0.000 . 803 75 78 GLU HG2 H 2.350 0.000 . 804 75 78 GLU HG3 H 2.350 0.000 . 805 75 78 GLU CA C 58.539 0.000 . 806 75 78 GLU CG C 36.120 0.000 . 807 75 78 GLU N N 123.736 0.000 . 808 76 79 ILE H H 8.313 0.000 . 809 76 79 ILE HA H 3.779 0.000 . 810 76 79 ILE HB H 2.028 0.000 . 811 76 79 ILE HG12 H 1.058 0.000 . 812 76 79 ILE HG13 H 1.688 0.000 . 813 76 79 ILE HG2 H 0.958 0.000 . 814 76 79 ILE HD1 H 0.825 0.000 . 815 76 79 ILE CA C 65.723 0.000 . 816 76 79 ILE CB C 37.926 0.000 . 817 76 79 ILE CG1 C 29.264 0.002 . 818 76 79 ILE CG2 C 18.046 0.000 . 819 76 79 ILE CD1 C 16.800 0.000 . 820 76 79 ILE N N 119.970 0.000 . 821 77 80 GLU H H 7.993 0.000 . 822 77 80 GLU HA H 3.931 0.000 . 823 77 80 GLU HB2 H 2.094 0.000 . 824 77 80 GLU HB3 H 2.094 0.000 . 825 77 80 GLU HG2 H 2.251 0.000 . 826 77 80 GLU HG3 H 2.251 0.000 . 827 77 80 GLU CA C 59.691 0.000 . 828 77 80 GLU CB C 29.273 0.000 . 829 77 80 GLU CG C 35.567 0.000 . 830 77 80 GLU N N 119.518 0.000 . 831 78 81 LYS H H 7.810 0.000 . 832 78 81 LYS HA H 3.937 0.000 . 833 78 81 LYS HB2 H 1.504 0.000 . 834 78 81 LYS HB3 H 1.628 0.000 . 835 78 81 LYS HG2 H 0.779 0.000 . 836 78 81 LYS HG3 H 1.310 0.000 . 837 78 81 LYS HD2 H 1.217 0.000 . 838 78 81 LYS HD3 H 1.376 0.000 . 839 78 81 LYS HE2 H 2.281 0.000 . 840 78 81 LYS HE3 H 2.472 0.000 . 841 78 81 LYS CA C 59.806 0.000 . 842 78 81 LYS CB C 31.988 0.001 . 843 78 81 LYS CG C 24.126 0.020 . 844 78 81 LYS CD C 29.069 0.001 . 845 78 81 LYS CE C 40.995 0.001 . 846 78 81 LYS N N 122.151 0.000 . 847 79 82 PHE H H 8.307 0.000 . 848 79 82 PHE HA H 4.794 0.000 . 849 79 82 PHE HB2 H 2.843 0.000 . 850 79 82 PHE HB3 H 3.326 0.000 . 851 79 82 PHE HD1 H 6.649 0.000 . 852 79 82 PHE HD2 H 6.649 0.000 . 853 79 82 PHE HE1 H 7.208 0.000 . 854 79 82 PHE HE2 H 7.208 0.000 . 855 79 82 PHE CA C 56.161 0.000 . 856 79 82 PHE CB C 36.747 0.002 . 857 79 82 PHE CD1 C 129.495 0.000 . 858 79 82 PHE CD2 C 129.495 0.000 . 859 79 82 PHE CE1 C 131.243 0.000 . 860 79 82 PHE CE2 C 131.243 0.000 . 861 79 82 PHE N N 115.935 0.000 . 862 80 83 SER H H 7.775 0.000 . 863 80 83 SER HA H 4.527 0.000 . 864 80 83 SER HB2 H 4.100 0.000 . 865 80 83 SER HB3 H 4.175 0.000 . 866 80 83 SER CA C 60.614 0.000 . 867 80 83 SER CB C 63.213 0.003 . 868 80 83 SER N N 113.737 0.000 . 869 81 84 ASN H H 7.360 0.000 . 870 81 84 ASN HA H 5.005 0.000 . 871 81 84 ASN HB2 H 2.911 0.000 . 872 81 84 ASN HB3 H 3.103 0.000 . 873 81 84 ASN HD21 H 7.133 0.000 . 874 81 84 ASN HD22 H 7.828 0.000 . 875 81 84 ASN CA C 52.236 0.000 . 876 81 84 ASN CB C 40.077 0.001 . 877 81 84 ASN N N 120.551 0.000 . 878 81 84 ASN ND2 N 113.615 0.001 . 879 82 85 ARG HA H 3.678 0.000 . 880 82 85 ARG HB2 H 1.818 0.000 . 881 82 85 ARG HB3 H 1.818 0.000 . 882 82 85 ARG HG2 H 1.309 0.000 . 883 82 85 ARG HG3 H 1.676 0.000 . 884 82 85 ARG HD2 H 3.189 0.000 . 885 82 85 ARG HD3 H 3.189 0.000 . 886 82 85 ARG CA C 59.742 0.000 . 887 82 85 ARG CB C 30.187 0.000 . 888 82 85 ARG CG C 27.222 0.003 . 889 82 85 ARG CD C 43.247 0.000 . 890 83 86 SER H H 8.322 0.000 . 891 83 86 SER HA H 4.249 0.000 . 892 83 86 SER HB2 H 3.985 0.000 . 893 83 86 SER HB3 H 3.985 0.000 . 894 83 86 SER CA C 61.678 0.000 . 895 83 86 SER CB C 62.270 0.000 . 896 83 86 SER N N 114.428 0.000 . 897 84 87 ASN H H 8.237 0.000 . 898 84 87 ASN HA H 4.551 0.000 . 899 84 87 ASN HB2 H 2.689 0.000 . 900 84 87 ASN HB3 H 3.456 0.000 . 901 84 87 ASN HD21 H 7.264 0.000 . 902 84 87 ASN HD22 H 8.115 0.000 . 903 84 87 ASN CA C 55.447 0.000 . 904 84 87 ASN CB C 37.674 0.010 . 905 84 87 ASN N N 119.822 0.000 . 906 84 87 ASN ND2 N 112.498 0.009 . 907 85 88 ILE H H 8.068 0.000 . 908 85 88 ILE HA H 3.747 0.000 . 909 85 88 ILE HB H 2.047 0.000 . 910 85 88 ILE HG12 H 0.541 0.000 . 911 85 88 ILE HG13 H 1.288 0.000 . 912 85 88 ILE HG2 H 0.531 0.000 . 913 85 88 ILE HD1 H 0.805 0.000 . 914 85 88 ILE CA C 65.324 0.000 . 915 85 88 ILE CB C 36.818 0.000 . 916 85 88 ILE CG1 C 29.064 0.000 . 917 85 88 ILE CG2 C 17.534 0.000 . 918 85 88 ILE CD1 C 14.589 0.000 . 919 85 88 ILE N N 120.182 0.000 . 920 86 89 CYS H H 8.309 0.000 . 921 86 89 CYS HA H 3.876 0.000 . 922 86 89 CYS HB2 H 4.005 0.000 . 923 86 89 CYS HB3 H 3.351 0.000 . 924 86 89 CYS CA C 57.057 0.000 . 925 86 89 CYS CB C 34.320 0.000 . 926 86 89 CYS N N 117.963 0.000 . 927 87 90 ARG H H 8.405 0.000 . 928 87 90 ARG HA H 4.058 0.000 . 929 87 90 ARG HB2 H 1.998 0.000 . 930 87 90 ARG HB3 H 1.998 0.000 . 931 87 90 ARG HG2 H 1.658 0.000 . 932 87 90 ARG HG3 H 1.841 0.000 . 933 87 90 ARG HD2 H 3.271 0.000 . 934 87 90 ARG HD3 H 3.271 0.000 . 935 87 90 ARG CA C 59.968 0.000 . 936 87 90 ARG CB C 30.188 0.000 . 937 87 90 ARG CG C 27.826 0.003 . 938 87 90 ARG CD C 43.344 0.000 . 939 87 90 ARG N N 122.693 0.000 . 940 88 91 PHE H H 7.682 0.000 . 941 88 91 PHE HA H 4.176 0.000 . 942 88 91 PHE HB2 H 2.894 0.000 . 943 88 91 PHE HB3 H 3.413 0.000 . 944 88 91 PHE HD1 H 6.973 0.000 . 945 88 91 PHE HD2 H 6.973 0.000 . 946 88 91 PHE HE1 H 7.346 0.000 . 947 88 91 PHE HE2 H 7.346 0.000 . 948 88 91 PHE CA C 61.588 0.000 . 949 88 91 PHE CB C 39.958 0.031 . 950 88 91 PHE CD1 C 131.492 0.000 . 951 88 91 PHE CD2 C 131.492 0.000 . 952 88 91 PHE CE1 C 131.696 0.000 . 953 88 91 PHE CE2 C 131.696 0.000 . 954 88 91 PHE N N 119.149 0.000 . 955 89 92 LEU H H 8.408 0.000 . 956 89 92 LEU HA H 3.704 0.000 . 957 89 92 LEU HB2 H 0.821 0.000 . 958 89 92 LEU HB3 H 1.069 0.000 . 959 89 92 LEU HG H 1.466 0.000 . 960 89 92 LEU HD1 H -0.081 0.000 . 961 89 92 LEU HD2 H 0.550 0.000 . 962 89 92 LEU CA C 56.923 0.000 . 963 89 92 LEU CB C 41.924 0.031 . 964 89 92 LEU CG C 26.351 0.000 . 965 89 92 LEU CD1 C 25.951 0.000 . 966 89 92 LEU CD2 C 21.830 0.000 . 967 89 92 LEU N N 116.843 0.000 . 968 90 93 THR H H 7.982 0.000 . 969 90 93 THR HA H 3.933 0.000 . 970 90 93 THR HB H 4.207 0.000 . 971 90 93 THR HG2 H 1.281 0.000 . 972 90 93 THR CA C 66.158 0.000 . 973 90 93 THR CB C 68.821 0.000 . 974 90 93 THR CG2 C 21.324 0.000 . 975 90 93 THR N N 114.314 0.000 . 976 91 94 ALA H H 6.773 0.000 . 977 91 94 ALA HA H 4.220 0.000 . 978 91 94 ALA HB H 1.327 0.000 . 979 91 94 ALA CA C 52.672 0.000 . 980 91 94 ALA CB C 19.150 0.000 . 981 91 94 ALA N N 121.442 0.000 . 982 92 95 SER H H 7.089 0.000 . 983 92 95 SER HA H 4.151 0.000 . 984 92 95 SER HB2 H 3.329 0.000 . 985 92 95 SER HB3 H 3.433 0.000 . 986 92 95 SER CA C 57.315 0.000 . 987 92 95 SER CB C 63.984 0.006 . 988 92 95 SER N N 113.171 0.000 . 989 93 96 GLN HA H 4.255 0.000 . 990 93 96 GLN HB2 H 2.042 0.000 . 991 93 96 GLN HB3 H 2.115 0.000 . 992 93 96 GLN HG2 H 2.410 0.000 . 993 93 96 GLN HG3 H 2.410 0.000 . 994 93 96 GLN HE21 H 6.901 0.000 . 995 93 96 GLN HE22 H 7.546 0.000 . 996 93 96 GLN CA C 57.735 0.000 . 997 93 96 GLN CB C 29.037 0.014 . 998 93 96 GLN CG C 33.974 0.000 . 999 93 96 GLN NE2 N 112.937 0.001 . 1000 94 97 ASP H H 7.722 0.000 . 1001 94 97 ASP HA H 4.596 0.000 . 1002 94 97 ASP HB2 H 2.592 0.000 . 1003 94 97 ASP HB3 H 2.994 0.000 . 1004 94 97 ASP CA C 53.742 0.000 . 1005 94 97 ASP CB C 41.609 0.032 . 1006 94 97 ASP N N 116.036 0.000 . 1007 96 99 ILE H H 7.605 0.000 . 1008 96 99 ILE HA H 4.354 0.000 . 1009 96 99 ILE HB H 1.637 0.000 . 1010 96 99 ILE HG12 H 1.490 0.000 . 1011 96 99 ILE HG2 H 0.978 0.000 . 1012 96 99 ILE HD1 H 0.801 0.000 . 1013 96 99 ILE CA C 60.655 0.000 . 1014 96 99 ILE CB C 38.059 0.000 . 1015 96 99 ILE CG1 C 27.792 0.000 . 1016 96 99 ILE CG2 C 18.670 0.000 . 1017 96 99 ILE CD1 C 13.507 0.000 . 1018 96 99 ILE N N 117.544 0.000 . 1019 97 100 LEU H H 8.925 0.000 . 1020 97 100 LEU HA H 3.609 0.000 . 1021 97 100 LEU HB2 H 0.631 0.000 . 1022 97 100 LEU HB3 H 0.746 0.000 . 1023 97 100 LEU HG H 0.193 0.000 . 1024 97 100 LEU HD1 H -0.009 0.000 . 1025 97 100 LEU HD2 H -0.284 0.000 . 1026 97 100 LEU CA C 57.665 0.000 . 1027 97 100 LEU CB C 43.349 0.006 . 1028 97 100 LEU CG C 25.636 0.000 . 1029 97 100 LEU CD1 C 24.993 0.000 . 1030 97 100 LEU CD2 C 23.791 0.000 . 1031 97 100 LEU N N 131.137 0.000 . 1032 98 101 PHE H H 8.540 0.000 . 1033 98 101 PHE HA H 5.128 0.000 . 1034 98 101 PHE HB2 H 2.643 0.000 . 1035 98 101 PHE HB3 H 3.481 0.000 . 1036 98 101 PHE HD1 H 7.174 0.000 . 1037 98 101 PHE HD2 H 7.174 0.000 . 1038 98 101 PHE CA C 56.028 0.000 . 1039 98 101 PHE CB C 37.663 0.007 . 1040 98 101 PHE CD2 C 131.605 0.000 . 1041 98 101 PHE N N 113.704 0.000 . 1042 99 102 LYS H H 6.961 0.000 . 1043 99 102 LYS HA H 3.889 0.000 . 1044 99 102 LYS HB2 H 1.844 0.000 . 1045 99 102 LYS HB3 H 1.931 0.000 . 1046 99 102 LYS HG2 H 1.461 0.000 . 1047 99 102 LYS HG3 H 1.635 0.000 . 1048 99 102 LYS HD2 H 1.850 0.000 . 1049 99 102 LYS HD3 H 1.901 0.000 . 1050 99 102 LYS HE2 H 3.031 0.000 . 1051 99 102 LYS HE3 H 3.073 0.000 . 1052 99 102 LYS CA C 61.153 0.000 . 1053 99 102 LYS CB C 33.517 0.010 . 1054 99 102 LYS CG C 24.342 0.008 . 1055 99 102 LYS CD C 29.603 0.001 . 1056 99 102 LYS CE C 41.809 0.005 . 1057 99 102 LYS N N 119.406 0.000 . 1058 100 103 ASP H H 8.583 0.000 . 1059 100 103 ASP HA H 4.637 0.000 . 1060 100 103 ASP HB2 H 2.729 0.000 . 1061 100 103 ASP HB3 H 2.833 0.000 . 1062 100 103 ASP CA C 57.806 0.000 . 1063 100 103 ASP CB C 40.446 0.021 . 1064 100 103 ASP N N 117.940 0.000 . 1065 101 104 VAL H H 8.419 0.000 . 1066 101 104 VAL HA H 3.885 0.000 . 1067 101 104 VAL HB H 2.190 0.000 . 1068 101 104 VAL HG1 H 1.000 0.000 . 1069 101 104 VAL HG2 H 1.142 0.000 . 1070 101 104 VAL CA C 65.689 0.000 . 1071 101 104 VAL CB C 32.186 0.000 . 1072 101 104 VAL CG1 C 21.324 0.000 . 1073 101 104 VAL CG2 C 23.613 0.000 . 1074 101 104 VAL N N 122.959 0.000 . 1075 102 105 ASN H H 9.087 0.000 . 1076 102 105 ASN HA H 4.582 0.000 . 1077 102 105 ASN HB2 H 2.831 0.000 . 1078 102 105 ASN HB3 H 2.948 0.000 . 1079 102 105 ASN HD21 H 7.914 0.000 . 1080 102 105 ASN HD22 H 5.667 0.000 . 1081 102 105 ASN CA C 56.084 0.000 . 1082 102 105 ASN CB C 37.697 0.014 . 1083 102 105 ASN N N 121.294 0.000 . 1084 102 105 ASN ND2 N 105.936 0.016 . 1085 103 106 ARG H H 7.669 0.000 . 1086 103 106 ARG HA H 4.186 0.000 . 1087 103 106 ARG HB2 H 2.072 0.000 . 1088 103 106 ARG HB3 H 2.193 0.000 . 1089 103 106 ARG HG2 H 1.777 0.000 . 1090 103 106 ARG HD2 H 3.292 0.000 . 1091 103 106 ARG HD3 H 3.365 0.000 . 1092 103 106 ARG CA C 58.987 0.000 . 1093 103 106 ARG CB C 29.713 0.002 . 1094 103 106 ARG CG C 26.933 0.000 . 1095 103 106 ARG CD C 43.041 0.005 . 1096 103 106 ARG N N 120.880 0.000 . 1097 104 107 LYS H H 7.960 0.000 . 1098 104 107 LYS HA H 4.223 0.000 . 1099 104 107 LYS HB2 H 1.965 0.000 . 1100 104 107 LYS HB3 H 2.029 0.000 . 1101 104 107 LYS HG2 H 1.542 0.000 . 1102 104 107 LYS HG3 H 1.689 0.000 . 1103 104 107 LYS HD2 H 1.672 0.000 . 1104 104 107 LYS HD3 H 1.820 0.000 . 1105 104 107 LYS HE2 H 2.934 0.000 . 1106 104 107 LYS HE3 H 2.934 0.000 . 1107 104 107 LYS CA C 60.044 0.000 . 1108 104 107 LYS CB C 32.361 0.002 . 1109 104 107 LYS CG C 25.824 0.001 . 1110 104 107 LYS CD C 29.005 0.007 . 1111 104 107 LYS CE C 41.654 0.000 . 1112 104 107 LYS N N 119.748 0.000 . 1113 105 108 LEU H H 9.063 0.000 . 1114 105 108 LEU HA H 4.072 0.000 . 1115 105 108 LEU HB2 H 1.576 0.000 . 1116 105 108 LEU HB3 H 2.326 0.000 . 1117 105 108 LEU HG H 1.964 0.000 . 1118 105 108 LEU HD1 H 0.779 0.000 . 1119 105 108 LEU HD2 H 0.771 0.000 . 1120 105 108 LEU CA C 58.444 0.000 . 1121 105 108 LEU CB C 42.517 0.008 . 1122 105 108 LEU CG C 26.942 0.000 . 1123 105 108 LEU CD1 C 23.896 0.000 . 1124 105 108 LEU CD2 C 25.781 0.000 . 1125 105 108 LEU N N 118.509 0.000 . 1126 106 109 SER H H 8.123 0.000 . 1127 106 109 SER HA H 3.793 0.000 . 1128 106 109 SER HB2 H 3.671 0.000 . 1129 106 109 SER HB3 H 3.797 0.000 . 1130 106 109 SER CA C 61.366 0.000 . 1131 106 109 SER CB C 62.543 0.001 . 1132 106 109 SER N N 112.510 0.000 . 1133 107 110 ASP H H 8.444 0.000 . 1134 107 110 ASP HA H 4.459 0.000 . 1135 107 110 ASP HB2 H 2.752 0.000 . 1136 107 110 ASP HB3 H 2.974 0.000 . 1137 107 110 ASP CA C 57.787 0.000 . 1138 107 110 ASP CB C 40.502 0.006 . 1139 107 110 ASP N N 121.990 0.000 . 1140 108 111 VAL H H 8.696 0.000 . 1141 108 111 VAL HA H 4.057 0.000 . 1142 108 111 VAL HB H 2.353 0.000 . 1143 108 111 VAL HG1 H 1.131 0.000 . 1144 108 111 VAL HG2 H 1.253 0.000 . 1145 108 111 VAL CA C 65.499 0.000 . 1146 108 111 VAL CB C 31.387 0.000 . 1147 108 111 VAL CG1 C 22.151 0.000 . 1148 108 111 VAL CG2 C 23.078 0.000 . 1149 108 111 VAL N N 119.062 0.000 . 1150 109 112 TRP H H 8.796 0.000 . 1151 109 112 TRP HA H 4.359 0.000 . 1152 109 112 TRP HB2 H 3.323 0.000 . 1153 109 112 TRP HB3 H 3.400 0.000 . 1154 109 112 TRP HD1 H 6.933 0.000 . 1155 109 112 TRP HE1 H 9.991 0.000 . 1156 109 112 TRP HE3 H 6.968 0.000 . 1157 109 112 TRP HZ2 H 7.369 0.000 . 1158 109 112 TRP HZ3 H 6.672 0.000 . 1159 109 112 TRP HH2 H 6.996 0.000 . 1160 109 112 TRP CA C 60.004 0.000 . 1161 109 112 TRP CB C 29.537 0.012 . 1162 109 112 TRP CD1 C 126.527 0.000 . 1163 109 112 TRP CE3 C 120.276 0.000 . 1164 109 112 TRP CZ2 C 114.234 0.000 . 1165 109 112 TRP CZ3 C 121.973 0.000 . 1166 109 112 TRP CH2 C 125.027 0.000 . 1167 109 112 TRP N N 122.259 0.000 . 1168 109 112 TRP NE1 N 127.703 0.000 . 1169 110 113 LYS H H 8.070 0.000 . 1170 110 113 LYS HA H 3.669 0.000 . 1171 110 113 LYS HB2 H 1.943 0.000 . 1172 110 113 LYS HB3 H 1.993 0.000 . 1173 110 113 LYS HG2 H 1.418 0.000 . 1174 110 113 LYS HG3 H 1.643 0.000 . 1175 110 113 LYS HD2 H 1.713 0.000 . 1176 110 113 LYS HD3 H 1.713 0.000 . 1177 110 113 LYS HE2 H 2.941 0.000 . 1178 110 113 LYS HE3 H 2.941 0.000 . 1179 110 113 LYS CA C 60.392 0.000 . 1180 110 113 LYS CB C 31.914 0.003 . 1181 110 113 LYS CG C 25.139 0.010 . 1182 110 113 LYS CD C 29.466 0.000 . 1183 110 113 LYS CE C 41.839 0.000 . 1184 110 113 LYS N N 119.617 0.000 . 1185 111 114 GLU H H 7.072 0.000 . 1186 111 114 GLU HA H 4.042 0.000 . 1187 111 114 GLU HB2 H 2.109 0.000 . 1188 111 114 GLU HB3 H 2.109 0.000 . 1189 111 114 GLU HG2 H 2.146 0.000 . 1190 111 114 GLU HG3 H 2.331 0.000 . 1191 111 114 GLU CA C 58.713 0.000 . 1192 111 114 GLU CB C 30.181 0.000 . 1193 111 114 GLU CG C 36.123 0.009 . 1194 111 114 GLU N N 116.710 0.000 . 1195 112 115 LEU H H 8.353 0.000 . 1196 112 115 LEU HA H 3.770 0.000 . 1197 112 115 LEU HB2 H 1.305 0.000 . 1198 112 115 LEU HB3 H 1.434 0.000 . 1199 112 115 LEU HG H 1.225 0.000 . 1200 112 115 LEU HD1 H 0.589 0.000 . 1201 112 115 LEU HD2 H 0.711 0.000 . 1202 112 115 LEU CA C 57.857 0.000 . 1203 112 115 LEU CB C 42.253 0.035 . 1204 112 115 LEU CG C 26.836 0.000 . 1205 112 115 LEU CD1 C 25.984 0.000 . 1206 112 115 LEU CD2 C 24.494 0.000 . 1207 112 115 LEU N N 119.359 0.000 . 1208 113 116 SER H H 8.524 0.000 . 1209 113 116 SER HA H 3.239 0.000 . 1210 113 116 SER HB2 H 2.531 0.000 . 1211 113 116 SER HB3 H 2.953 0.000 . 1212 113 116 SER CA C 61.526 0.000 . 1213 113 116 SER CB C 61.717 0.002 . 1214 113 116 SER N N 113.203 0.000 . 1215 114 117 LEU H H 6.858 0.000 . 1216 114 117 LEU HA H 4.063 0.000 . 1217 114 117 LEU HB2 H 1.664 0.000 . 1218 114 117 LEU HB3 H 1.664 0.000 . 1219 114 117 LEU HD1 H 0.867 0.000 . 1220 114 117 LEU HD2 H 0.895 0.000 . 1221 114 117 LEU CA C 57.854 0.000 . 1222 114 117 LEU CB C 41.695 0.000 . 1223 114 117 LEU CD1 C 24.212 0.000 . 1224 114 117 LEU CD2 C 24.406 0.000 . 1225 114 117 LEU N N 121.450 0.000 . 1226 115 118 LEU H H 7.321 0.000 . 1227 115 118 LEU HA H 4.102 0.000 . 1228 115 118 LEU HB2 H 1.327 0.000 . 1229 115 118 LEU HB3 H 1.849 0.000 . 1230 115 118 LEU HG H 1.777 0.000 . 1231 115 118 LEU HD1 H 0.735 0.000 . 1232 115 118 LEU HD2 H 0.816 0.000 . 1233 115 118 LEU CA C 57.658 0.000 . 1234 115 118 LEU CB C 43.109 0.011 . 1235 115 118 LEU CG C 26.788 0.000 . 1236 115 118 LEU CD1 C 26.800 0.000 . 1237 115 118 LEU CD2 C 22.970 0.000 . 1238 115 118 LEU N N 118.319 0.000 . 1239 116 119 LEU H H 8.453 0.000 . 1240 116 119 LEU HA H 3.876 0.000 . 1241 116 119 LEU HB2 H 1.832 0.000 . 1242 116 119 LEU HB3 H 1.877 0.000 . 1243 116 119 LEU HG H 1.676 0.000 . 1244 116 119 LEU HD1 H 0.674 0.000 . 1245 116 119 LEU HD2 H 0.764 0.000 . 1246 116 119 LEU CA C 57.603 0.000 . 1247 116 119 LEU CB C 41.517 0.005 . 1248 116 119 LEU CG C 26.802 0.000 . 1249 116 119 LEU CD1 C 26.282 0.000 . 1250 116 119 LEU CD2 C 23.497 0.000 . 1251 116 119 LEU N N 118.888 0.000 . 1252 117 120 GLN H H 7.989 0.000 . 1253 117 120 GLN HA H 4.351 0.000 . 1254 117 120 GLN HB2 H 2.212 0.000 . 1255 117 120 GLN HB3 H 2.212 0.000 . 1256 117 120 GLN HG2 H 2.333 0.000 . 1257 117 120 GLN HG3 H 2.437 0.000 . 1258 117 120 GLN HE21 H 7.293 0.000 . 1259 117 120 GLN HE22 H 6.828 0.000 . 1260 117 120 GLN CA C 58.686 0.000 . 1261 117 120 GLN CB C 28.676 0.000 . 1262 117 120 GLN CG C 33.993 0.010 . 1263 117 120 GLN N N 119.021 0.000 . 1264 117 120 GLN NE2 N 111.252 0.004 . 1265 118 121 VAL H H 8.184 0.000 . 1266 118 121 VAL HA H 3.852 0.000 . 1267 118 121 VAL HB H 2.115 0.000 . 1268 118 121 VAL HG1 H 0.995 0.000 . 1269 118 121 VAL HG2 H 1.092 0.000 . 1270 118 121 VAL CA C 65.378 0.000 . 1271 118 121 VAL CB C 32.828 0.000 . 1272 118 121 VAL CG1 C 21.110 0.000 . 1273 118 121 VAL CG2 C 22.139 0.000 . 1274 118 121 VAL N N 117.862 0.000 . 1275 119 122 GLU H H 8.650 0.000 . 1276 119 122 GLU HA H 4.319 0.000 . 1277 119 122 GLU HB2 H 2.063 0.000 . 1278 119 122 GLU HB3 H 2.175 0.000 . 1279 119 122 GLU HG2 H 2.207 0.000 . 1280 119 122 GLU HG3 H 2.476 0.000 . 1281 119 122 GLU CA C 58.266 0.000 . 1282 119 122 GLU CB C 30.514 0.007 . 1283 119 122 GLU CG C 37.088 0.009 . 1284 119 122 GLU N N 117.289 0.000 . 1285 120 123 GLN H H 7.403 0.000 . 1286 120 123 GLN HA H 4.487 0.000 . 1287 120 123 GLN HB2 H 2.165 0.000 . 1288 120 123 GLN HB3 H 2.462 0.000 . 1289 120 123 GLN HG2 H 2.242 0.000 . 1290 120 123 GLN HG3 H 2.165 0.000 . 1291 120 123 GLN HE21 H 6.795 0.000 . 1292 120 123 GLN HE22 H 7.352 0.000 . 1293 120 123 GLN CA C 54.641 0.000 . 1294 120 123 GLN CB C 28.523 0.062 . 1295 120 123 GLN CG C 33.460 0.000 . 1296 120 123 GLN N N 113.623 0.000 . 1297 120 123 GLN NE2 N 111.198 0.001 . 1298 121 124 ARG H H 7.520 0.000 . 1299 121 124 ARG HA H 4.178 0.000 . 1300 121 124 ARG HG2 H 1.563 0.000 . 1301 121 124 ARG HG3 H 1.563 0.000 . 1302 121 124 ARG HD2 H 3.154 0.000 . 1303 121 124 ARG HD3 H 3.214 0.000 . 1304 121 124 ARG CA C 56.489 0.000 . 1305 121 124 ARG CG C 27.363 0.000 . 1306 121 124 ARG CD C 43.141 0.001 . 1307 121 124 ARG N N 115.187 0.000 . 1308 122 125 MET H H 7.860 0.000 . 1309 122 125 MET HA H 4.719 0.000 . 1310 122 125 MET HB2 H 1.675 0.000 . 1311 122 125 MET HB3 H 1.864 0.000 . 1312 122 125 MET HG2 H 2.549 0.000 . 1313 122 125 MET HG3 H 2.549 0.000 . 1314 122 125 MET HE H 2.093 0.000 . 1315 122 125 MET CA C 53.303 0.000 . 1316 122 125 MET CB C 34.086 0.003 . 1317 122 125 MET CG C 31.967 0.000 . 1318 122 125 MET CE C 17.681 0.000 . 1319 122 125 MET N N 120.056 0.000 . 1320 123 126 PRO HA H 4.515 0.000 . 1321 123 126 PRO HB2 H 1.970 0.000 . 1322 123 126 PRO HB3 H 2.208 0.000 . 1323 123 126 PRO HG2 H 1.994 0.000 . 1324 123 126 PRO HG3 H 1.994 0.000 . 1325 123 126 PRO HD2 H 3.707 0.000 . 1326 123 126 PRO HD3 H 3.907 0.000 . 1327 123 126 PRO CA C 62.759 0.000 . 1328 123 126 PRO CB C 31.432 0.002 . 1329 123 126 PRO CG C 27.405 0.000 . 1330 123 126 PRO CD C 50.712 0.011 . 1331 124 127 VAL H H 8.100 0.000 . 1332 124 127 VAL HA H 4.134 0.000 . 1333 124 127 VAL HB H 2.005 0.000 . 1334 124 127 VAL HG1 H 0.887 0.000 . 1335 124 127 VAL HG2 H 0.910 0.000 . 1336 124 127 VAL CA C 61.634 0.000 . 1337 124 127 VAL CB C 33.403 0.000 . 1338 124 127 VAL CG1 C 20.868 0.000 . 1339 124 127 VAL CG2 C 21.544 0.000 . 1340 124 127 VAL N N 119.832 0.000 . 1341 125 128 SER H H 8.550 0.000 . 1342 125 128 SER HA H 4.814 0.000 . 1343 125 128 SER HB2 H 3.915 0.000 . 1344 125 128 SER HB3 H 3.915 0.000 . 1345 125 128 SER CA C 56.188 0.000 . 1346 125 128 SER CB C 63.568 0.000 . 1347 125 128 SER N N 121.584 0.000 . 1348 126 129 PRO HA H 4.517 0.000 . 1349 126 129 PRO HB2 H 1.960 0.000 . 1350 126 129 PRO HB3 H 2.293 0.000 . 1351 126 129 PRO HG2 H 2.014 0.000 . 1352 126 129 PRO HG3 H 2.014 0.000 . 1353 126 129 PRO HD2 H 3.802 0.000 . 1354 126 129 PRO HD3 H 3.860 0.000 . 1355 126 129 PRO CA C 63.617 0.000 . 1356 126 129 PRO CB C 32.087 0.004 . 1357 126 129 PRO CG C 27.417 0.000 . 1358 126 129 PRO CD C 50.932 0.002 . 1359 127 130 ILE H H 8.129 0.000 . 1360 127 130 ILE HA H 4.169 0.000 . 1361 127 130 ILE HB H 1.833 0.000 . 1362 127 130 ILE HG12 H 1.141 0.000 . 1363 127 130 ILE HG13 H 1.392 0.000 . 1364 127 130 ILE HG2 H 0.860 0.000 . 1365 127 130 ILE HD1 H 0.738 0.000 . 1366 127 130 ILE CA C 61.343 0.000 . 1367 127 130 ILE CB C 38.658 0.000 . 1368 127 130 ILE CG1 C 27.496 0.000 . 1369 127 130 ILE CG2 C 17.598 0.000 . 1370 127 130 ILE CD1 C 13.099 0.000 . 1371 127 130 ILE N N 119.384 0.000 . 1372 128 131 SER H H 8.285 0.000 . 1373 128 131 SER HA H 4.436 0.000 . 1374 128 131 SER HB2 H 3.870 0.000 . 1375 128 131 SER HB3 H 3.910 0.000 . 1376 128 131 SER CA C 58.242 0.000 . 1377 128 131 SER CB C 63.567 0.003 . 1378 128 131 SER N N 118.990 0.000 . 1379 129 132 GLN HA H 4.259 0.000 . 1380 129 132 GLN HB2 H 1.905 0.000 . 1381 129 132 GLN HB3 H 2.047 0.000 . 1382 129 132 GLN HG2 H 2.257 0.000 . 1383 129 132 GLN HG3 H 2.257 0.000 . 1384 129 132 GLN HE21 H 6.722 0.000 . 1385 129 132 GLN HE22 H 7.411 0.000 . 1386 129 132 GLN CA C 56.177 0.000 . 1387 129 132 GLN CB C 29.045 0.000 . 1388 129 132 GLN CG C 33.708 0.000 . 1389 129 132 GLN NE2 N 112.031 0.001 . 1390 130 133 GLY H H 8.252 0.000 . 1391 130 133 GLY HA2 H 3.003 0.000 . 1392 130 133 GLY HA3 H 3.652 0.000 . 1393 130 133 GLY CA C 45.204 0.005 . 1394 130 133 GLY N N 109.335 0.000 . 1395 131 134 ALA H H 8.165 0.000 . 1396 131 134 ALA HA H 4.279 0.000 . 1397 131 134 ALA HB H 1.446 0.000 . 1398 131 134 ALA CA C 53.681 0.000 . 1399 131 134 ALA CB C 19.024 0.000 . 1400 131 134 ALA N N 124.851 0.000 . 1401 132 135 SER H H 8.431 0.000 . 1402 132 135 SER HA H 4.614 0.000 . 1403 132 135 SER HB2 H 4.016 0.000 . 1404 132 135 SER HB3 H 4.165 0.000 . 1405 132 135 SER CA C 58.470 0.000 . 1406 132 135 SER CB C 63.798 0.002 . 1407 132 135 SER N N 113.685 0.000 . 1408 133 136 TRP H H 8.444 0.000 . 1409 133 136 TRP HA H 4.562 0.000 . 1410 133 136 TRP HB2 H 3.222 0.000 . 1411 133 136 TRP HB3 H 3.222 0.000 . 1412 133 136 TRP HD1 H 7.025 0.000 . 1413 133 136 TRP HE1 H 10.035 0.000 . 1414 133 136 TRP HE3 H 7.582 0.000 . 1415 133 136 TRP HZ2 H 7.264 0.000 . 1416 133 136 TRP HH2 H 6.836 0.000 . 1417 133 136 TRP CA C 58.904 0.000 . 1418 133 136 TRP CB C 28.677 0.000 . 1419 133 136 TRP CD1 C 124.451 0.000 . 1420 133 136 TRP CE3 C 121.065 0.000 . 1421 133 136 TRP CZ2 C 113.734 0.000 . 1422 133 136 TRP CH2 C 123.098 0.000 . 1423 133 136 TRP N N 123.154 0.000 . 1424 133 136 TRP NE1 N 128.017 0.000 . 1425 134 137 ALA H H 8.495 0.000 . 1426 134 137 ALA HA H 4.275 0.000 . 1427 134 137 ALA HB H 1.524 0.000 . 1428 134 137 ALA CA C 55.625 0.000 . 1429 134 137 ALA CB C 17.902 0.000 . 1430 134 137 ALA N N 120.882 0.000 . 1431 135 138 GLN H H 7.934 0.000 . 1432 135 138 GLN HA H 4.138 0.000 . 1433 135 138 GLN HB2 H 2.199 0.000 . 1434 135 138 GLN HG2 H 2.458 0.000 . 1435 135 138 GLN HE21 H 6.938 0.000 . 1436 135 138 GLN HE22 H 7.613 0.000 . 1437 135 138 GLN CA C 58.927 0.000 . 1438 135 138 GLN CB C 28.484 0.000 . 1439 135 138 GLN CG C 34.166 0.000 . 1440 135 138 GLN N N 119.272 0.000 . 1441 135 138 GLN NE2 N 112.310 0.001 . 1442 136 139 GLU H H 7.856 0.000 . 1443 136 139 GLU HA H 3.849 0.000 . 1444 136 139 GLU HB2 H 1.978 0.000 . 1445 136 139 GLU HB3 H 1.978 0.000 . 1446 136 139 GLU HG2 H 2.509 0.000 . 1447 136 139 GLU HG3 H 2.509 0.000 . 1448 136 139 GLU CA C 58.946 0.000 . 1449 136 139 GLU CB C 29.854 0.000 . 1450 136 139 GLU CG C 36.283 0.000 . 1451 136 139 GLU N N 121.087 0.000 . 1452 137 140 ASP H H 8.882 0.000 . 1453 137 140 ASP HA H 4.534 0.000 . 1454 137 140 ASP HB2 H 2.672 0.000 . 1455 137 140 ASP HB3 H 2.928 0.000 . 1456 137 140 ASP CA C 57.098 0.000 . 1457 137 140 ASP CB C 39.924 0.000 . 1458 137 140 ASP N N 118.530 0.000 . 1459 138 141 GLN H H 7.519 0.000 . 1460 138 141 GLN HA H 3.943 0.000 . 1461 138 141 GLN HB2 H 2.206 0.000 . 1462 138 141 GLN HB3 H 2.206 0.000 . 1463 138 141 GLN HG2 H 2.427 0.000 . 1464 138 141 GLN HG3 H 2.518 0.000 . 1465 138 141 GLN HE21 H 7.587 0.000 . 1466 138 141 GLN HE22 H 7.044 0.000 . 1467 138 141 GLN CA C 58.606 0.000 . 1468 138 141 GLN CB C 28.423 0.000 . 1469 138 141 GLN CG C 33.919 0.004 . 1470 138 141 GLN N N 117.363 0.000 . 1471 138 141 GLN NE2 N 114.083 0.000 . 1472 139 142 GLN H H 7.678 0.000 . 1473 139 142 GLN HA H 4.134 0.000 . 1474 139 142 GLN HB2 H 2.185 0.000 . 1475 139 142 GLN HB3 H 2.185 0.000 . 1476 139 142 GLN HG2 H 2.464 0.000 . 1477 139 142 GLN HG3 H 2.559 0.000 . 1478 139 142 GLN CA C 58.967 0.000 . 1479 139 142 GLN CB C 28.224 0.000 . 1480 139 142 GLN CG C 33.882 0.000 . 1481 139 142 GLN N N 119.685 0.000 . 1482 140 143 ASP H H 9.307 0.000 . 1483 140 143 ASP HA H 4.103 0.000 . 1484 140 143 ASP HB2 H 2.117 0.000 . 1485 140 143 ASP HB3 H 2.868 0.000 . 1486 140 143 ASP CA C 57.302 0.000 . 1487 140 143 ASP CB C 40.424 0.002 . 1488 140 143 ASP N N 122.267 0.000 . 1489 141 144 ALA H H 8.773 0.000 . 1490 141 144 ALA HA H 4.258 0.000 . 1491 141 144 ALA HB H 1.416 0.000 . 1492 141 144 ALA CA C 55.372 0.000 . 1493 141 144 ALA CB C 19.186 0.000 . 1494 141 144 ALA N N 122.073 0.000 . 1495 142 145 ASP H H 8.152 0.000 . 1496 142 145 ASP HA H 4.469 0.000 . 1497 142 145 ASP HB2 H 2.765 0.000 . 1498 142 145 ASP HB3 H 2.955 0.000 . 1499 142 145 ASP CA C 57.553 0.000 . 1500 142 145 ASP CB C 40.777 0.001 . 1501 142 145 ASP N N 119.460 0.000 . 1502 143 146 GLU H H 8.257 0.000 . 1503 143 146 GLU HA H 4.106 0.000 . 1504 143 146 GLU HB2 H 2.109 0.000 . 1505 143 146 GLU HB3 H 2.287 0.000 . 1506 143 146 GLU HG2 H 2.304 0.000 . 1507 143 146 GLU HG3 H 2.546 0.000 . 1508 143 146 GLU CA C 59.988 0.000 . 1509 143 146 GLU CB C 29.433 0.018 . 1510 143 146 GLU CG C 36.640 0.002 . 1511 143 146 GLU N N 121.540 0.000 . 1512 144 147 ASP H H 8.905 0.000 . 1513 144 147 ASP HA H 4.759 0.000 . 1514 144 147 ASP HB2 H 2.821 0.000 . 1515 144 147 ASP HB3 H 2.821 0.000 . 1516 144 147 ASP CA C 57.826 0.000 . 1517 144 147 ASP CB C 40.887 0.000 . 1518 144 147 ASP N N 121.920 0.000 . 1519 145 148 ARG H H 8.758 0.000 . 1520 145 148 ARG HA H 4.250 0.000 . 1521 145 148 ARG HB2 H 2.146 0.000 . 1522 145 148 ARG HB3 H 2.255 0.000 . 1523 145 148 ARG HG2 H 1.810 0.000 . 1524 145 148 ARG HG3 H 1.937 0.000 . 1525 145 148 ARG HD2 H 3.266 0.000 . 1526 145 148 ARG HD3 H 3.397 0.000 . 1527 145 148 ARG CA C 60.113 0.000 . 1528 145 148 ARG CB C 30.031 0.008 . 1529 145 148 ARG CG C 27.050 0.005 . 1530 145 148 ARG CD C 43.777 0.001 . 1531 145 148 ARG N N 123.171 0.000 . 1532 146 149 ARG H H 8.446 0.000 . 1533 146 149 ARG HA H 4.098 0.000 . 1534 146 149 ARG HB2 H 2.005 0.000 . 1535 146 149 ARG HB3 H 2.005 0.000 . 1536 146 149 ARG HG2 H 1.912 0.000 . 1537 146 149 ARG HG3 H 2.013 0.000 . 1538 146 149 ARG HD2 H 3.288 0.000 . 1539 146 149 ARG HD3 H 3.288 0.000 . 1540 146 149 ARG CA C 59.783 0.000 . 1541 146 149 ARG CB C 30.241 0.000 . 1542 146 149 ARG CG C 27.141 0.019 . 1543 146 149 ARG CD C 43.392 0.000 . 1544 146 149 ARG N N 120.894 0.000 . 1545 147 150 ALA H H 8.180 0.000 . 1546 147 150 ALA HA H 4.209 0.000 . 1547 147 150 ALA HB H 1.691 0.000 . 1548 147 150 ALA CA C 55.334 0.000 . 1549 147 150 ALA CB C 18.116 0.000 . 1550 147 150 ALA N N 120.677 0.000 . 1551 148 151 PHE H H 7.820 0.000 . 1552 148 151 PHE HA H 4.396 0.000 . 1553 148 151 PHE HB2 H 3.241 0.000 . 1554 148 151 PHE HB3 H 3.241 0.000 . 1555 148 151 PHE HD1 H 7.014 0.000 . 1556 148 151 PHE HD2 H 7.014 0.000 . 1557 148 151 PHE HE1 H 7.316 0.000 . 1558 148 151 PHE HE2 H 7.316 0.000 . 1559 148 151 PHE CA C 60.042 0.000 . 1560 148 151 PHE CB C 40.096 0.000 . 1561 148 151 PHE CD1 C 131.336 0.000 . 1562 148 151 PHE CD2 C 131.336 0.000 . 1563 148 151 PHE CE1 C 132.036 0.000 . 1564 148 151 PHE CE2 C 132.036 0.000 . 1565 148 151 PHE N N 118.939 0.000 . 1566 149 152 GLN H H 8.401 0.000 . 1567 149 152 GLN HA H 3.762 0.000 . 1568 149 152 GLN HB2 H 2.125 0.000 . 1569 149 152 GLN HB3 H 2.198 0.000 . 1570 149 152 GLN HG2 H 2.490 0.000 . 1571 149 152 GLN HG3 H 2.695 0.000 . 1572 149 152 GLN HE21 H 7.556 0.000 . 1573 149 152 GLN HE22 H 6.977 0.000 . 1574 149 152 GLN CA C 57.969 0.000 . 1575 149 152 GLN CB C 28.586 0.001 . 1576 149 152 GLN CG C 34.418 0.002 . 1577 149 152 GLN N N 118.578 0.000 . 1578 149 152 GLN NE2 N 111.409 0.001 . 1579 150 153 MET H H 7.658 0.000 . 1580 150 153 MET HA H 4.320 0.000 . 1581 150 153 MET HB2 H 2.131 0.000 . 1582 150 153 MET HB3 H 2.186 0.000 . 1583 150 153 MET HG2 H 2.668 0.000 . 1584 150 153 MET HG3 H 2.729 0.000 . 1585 150 153 MET HE H 2.109 0.000 . 1586 150 153 MET CA C 56.345 0.000 . 1587 150 153 MET CB C 32.646 0.005 . 1588 150 153 MET CG C 32.116 0.000 . 1589 150 153 MET CE C 16.789 0.000 . 1590 150 153 MET N N 116.278 0.000 . 1591 151 154 LEU H H 7.441 0.000 . 1592 151 154 LEU HA H 4.229 0.000 . 1593 151 154 LEU HB2 H 1.494 0.000 . 1594 151 154 LEU HB3 H 1.653 0.000 . 1595 151 154 LEU HG H 1.796 0.000 . 1596 151 154 LEU HD1 H 0.907 0.000 . 1597 151 154 LEU HD2 H 0.983 0.000 . 1598 151 154 LEU CA C 55.382 0.000 . 1599 151 154 LEU CB C 42.219 0.008 . 1600 151 154 LEU CG C 26.634 0.000 . 1601 151 154 LEU CD1 C 23.201 0.000 . 1602 151 154 LEU CD2 C 25.430 0.000 . 1603 151 154 LEU N N 120.202 0.000 . 1604 152 155 ARG H H 7.958 0.000 . 1605 152 155 ARG HA H 4.180 0.000 . 1606 152 155 ARG HB2 H 1.671 0.000 . 1607 152 155 ARG HB3 H 1.728 0.000 . 1608 152 155 ARG HG2 H 1.510 0.000 . 1609 152 155 ARG HG3 H 1.510 0.000 . 1610 152 155 ARG HD2 H 3.057 0.000 . 1611 152 155 ARG HD3 H 3.057 0.000 . 1612 152 155 ARG CA C 56.117 0.000 . 1613 152 155 ARG CB C 30.423 0.001 . 1614 152 155 ARG CG C 26.733 0.000 . 1615 152 155 ARG CD C 43.187 0.000 . 1616 152 155 ARG N N 121.305 0.000 . 1617 153 156 ARG H H 8.400 0.000 . 1618 153 156 ARG HA H 4.380 0.000 . 1619 153 156 ARG HB2 H 1.713 0.000 . 1620 153 156 ARG HB3 H 1.899 0.000 . 1621 153 156 ARG HG2 H 1.611 0.000 . 1622 153 156 ARG HG3 H 1.611 0.000 . 1623 153 156 ARG HD2 H 3.162 0.000 . 1624 153 156 ARG HD3 H 3.162 0.000 . 1625 153 156 ARG CA C 55.593 0.000 . 1626 153 156 ARG CB C 30.990 0.001 . 1627 153 156 ARG CG C 26.895 0.000 . 1628 153 156 ARG CD C 43.236 0.000 . 1629 153 156 ARG N N 123.332 0.000 . 1630 154 157 ASP H H 8.029 0.000 . 1631 154 157 ASP HA H 4.366 0.000 . 1632 154 157 ASP HB2 H 2.573 0.000 . 1633 154 157 ASP HB3 H 2.653 0.000 . 1634 154 157 ASP CA C 55.697 0.000 . 1635 154 157 ASP CB C 42.195 0.000 . 1636 154 157 ASP N N 126.982 0.000 . stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNccH TOCSY' '3D HNCC TOCSY' '3D 1H-15N NOESY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HCCH-TOCSY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D filt. 1H-13C NOESY aliphatic' '3D filt. 1H-13C NOESY aromatic' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name unit_2 _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 1 201 1 QOK Q12 H 3.165 0.000 . 2 201 1 QOK Q16 H 3.566 0.000 . 3 201 1 QOK H27 H 5.028 0.000 . 4 201 1 QOK H28 H 5.527 0.000 . 5 201 1 QOK Q17 H 3.670 0.000 . 6 201 1 QOK Q19 H 3.459 0.000 . 7 201 1 QOK Q14 H 3.141 0.000 . 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 H 2 H H 3 N N 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 34528 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Chem_shift_reference_ID 1 >> _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 >> _Spectral_peak_list.Experiment_ID 5 >> _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID 1 >> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 3 >>#FORMAT xeasy3D >>#INAME 1 HN >>#INAME 2 H >>#INAME 3 N >>#SPECTRUM N15NOESY HN H N >> 1 7.813 4.244 118.959 1 T 2.100e+06 0.00e+00 a 0 - - - >> 2 7.812 4.400 118.979 1 T 2.380e+06 0.00e+00 a 0 - - - >> 3 7.815 3.200 118.938 1 T 5.350e+06 0.00e+00 a 0 - - - >> 4 7.814 1.690 118.956 1 T 3.990e+06 0.00e+00 a 0 - - - >> 5 7.831 3.705 118.794 1 T 4.180e+06 0.00e+00 a 0 - - - >> 6 7.850 3.850 121.086 1 T 2.870e+06 0.00e+00 a 0 - - - >> 7 7.845 3.636 121.007 1 T 1.860e+06 0.00e+00 a 0 - - - >> 8 7.848 1.859 120.903 1 T 3.880e+06 0.00e+00 a 0 - - - >> 9 8.154 4.514 120.131 1 T 1.160e+07 0.00e+00 a 0 - - - >> 10 8.155 4.131 120.125 1 T 5.760e+06 0.00e+00 a 0 - - - >> 11 8.156 3.918 120.128 1 T 2.120e+06 0.00e+00 a 0 - - - >> 12 8.551 3.491 121.207 1 T 1.800e+06 0.00e+00 a 0 - - - >> 13 8.545 4.138 121.577 1 T 3.360e+06 0.00e+00 a 0 - - - >> 14 8.546 3.918 121.532 1 T 2.210e+06 0.00e+00 a 0 - - - >> 15 8.543 4.831 121.578 1 T 1.370e+06 0.00e+00 a 0 - - - >> 16 8.948 4.273 119.405 1 T 1.710e+06 0.00e+00 a 0 - - - >> 17 8.402 4.051 122.720 1 T 4.570e+06 0.00e+00 a 0 - - - >> 18 8.413 3.908 122.961 1 T 4.510e+06 0.00e+00 a 0 - - - >> 19 8.397 4.193 123.198 1 T 3.420e+06 0.00e+00 a 0 - - - >> 20 8.453 1.571 123.067 1 T 3.050e+06 0.00e+00 a 0 - - - >> 21 8.462 2.015 123.000 1 T 7.150e+06 0.00e+00 a 0 - - - >> 22 8.441 2.002 120.898 1 T 4.870e+06 0.00e+00 a 0 - - - >> 23 8.490 1.534 120.864 1 T 7.630e+06 0.00e+00 a 0 - - - >> 24 8.300 2.136 120.056 1 T 4.760e+06 0.00e+00 a 0 - - - >> 25 8.300 2.384 120.103 1 T 3.500e+06 0.00e+00 a 0 - - - >> 26 8.304 4.502 120.003 1 T 1.970e+06 0.00e+00 a 0 - - - >> 27 8.309 3.787 119.928 1 T 1.810e+06 0.00e+00 a 0 - - - >> 28 8.298 3.949 120.028 1 T 3.370e+06 0.00e+00 a 0 - - - >> 29 8.191 4.237 118.998 1 T 1.440e+06 0.00e+00 a 0 - - - >> 30 8.190 3.879 119.011 1 T 1.710e+06 0.00e+00 a 0 - - - >> 31 8.257 3.976 119.304 1 T 2.830e+06 0.00e+00 a 0 - - - >> 32 8.276 4.036 119.248 1 T 2.750e+06 0.00e+00 a 0 - - - >> 33 8.064 4.264 118.867 1 T 3.180e+06 0.00e+00 a 0 - - - >> 34 8.063 4.848 118.877 1 T 1.900e+06 0.00e+00 a 0 - - - >> 35 8.122 4.112 119.393 1 T 5.930e+06 0.00e+00 a 0 - - - >> 36 8.124 3.961 119.578 1 T 2.800e+06 0.00e+00 a 0 - - - >> 37 8.123 2.083 119.435 1 T 5.620e+06 0.00e+00 a 0 - - - >> 38 8.122 2.228 119.384 1 T 4.930e+06 0.00e+00 a 0 - - - >> 39 8.122 1.826 119.543 1 T 5.260e+06 0.00e+00 a 0 - - - >> 40 8.058 4.572 118.989 1 T 3.190e+06 0.00e+00 a 0 - - - >> 41 7.952 4.244 119.282 1 T 5.230e+06 0.00e+00 a 0 - - - >> 42 7.929 4.137 119.277 1 T 4.520e+06 0.00e+00 a 0 - - - >> 43 7.946 4.619 119.312 1 T 2.000e+06 0.00e+00 a 0 - - - >> 44 7.949 1.557 119.048 1 T 9.290e+06 0.00e+00 a 0 - - - >> 45 7.989 4.337 119.034 1 T 2.450e+06 0.00e+00 a 0 - - - >> 46 8.094 4.519 119.815 1 T 4.530e+06 0.00e+00 a 0 - - - >> 47 8.094 4.850 119.754 1 T 2.320e+06 0.00e+00 a 0 - - - >> 48 8.461 4.294 118.723 1 T 5.370e+06 0.00e+00 a 0 - - - >> 49 8.460 4.021 118.729 1 T 4.020e+06 0.00e+00 a 0 - - - >> 50 7.211 4.230 115.353 1 T 2.900e+06 0.00e+00 a 0 - - - >> 51 7.211 3.969 115.382 1 T 1.510e+06 0.00e+00 a 0 - - - >> 52 7.208 3.852 115.382 1 T 1.300e+06 0.00e+00 a 0 - - - >> 53 7.158 3.965 115.415 1 T 1.290e+06 0.00e+00 a 0 - - - >> 54 7.156 4.129 115.338 1 T 1.400e+06 0.00e+00 a 0 - - - >> 55 7.155 4.282 115.415 1 T 1.020e+06 0.00e+00 a 0 - - - >> 56 6.794 7.589 110.444 1 T 2.960e+07 0.00e+00 a 0 - - - >> 57 7.592 6.792 110.438 1 T 2.840e+07 0.00e+00 a 0 - - - >> 58 6.974 7.550 111.413 1 T 2.700e+07 0.00e+00 a 0 - - - >> 59 6.974 4.851 111.472 1 T 4.960e+06 0.00e+00 a 0 - - - >> 60 7.556 4.850 111.555 1 T 3.790e+06 0.00e+00 a 0 - - - >> 61 7.592 2.344 110.415 1 T 4.600e+06 0.00e+00 a 0 - - - >> 62 6.794 2.343 110.482 1 T 2.970e+06 0.00e+00 a 0 - - - >> 63 7.593 2.096 110.382 1 T 1.490e+06 0.00e+00 a 0 - - - >> 64 7.539 0.831 110.263 1 T 1.650e+06 0.00e+00 a 0 - - - >> 65 6.446 0.840 110.296 1 T 1.400e+06 0.00e+00 a 0 - - - >> 66 7.540 2.931 110.216 1 T 1.590e+06 0.00e+00 a 0 - - - >> 67 6.444 2.927 110.328 1 T 1.410e+06 0.00e+00 a 0 - - - >> 68 6.672 2.661 110.920 1 T 1.470e+06 0.00e+00 a 0 - - - >> 69 6.675 2.337 110.865 1 T 1.980e+06 0.00e+00 a 0 - - - >> 70 7.345 2.197 111.161 1 T 3.400e+06 0.00e+00 a 0 - - - >> 71 6.792 2.192 111.119 1 T 3.400e+06 0.00e+00 a 0 - - - >> 72 7.287 2.497 111.208 1 T 2.430e+06 0.00e+00 a 0 - - - >> 73 6.823 2.496 111.269 1 T 2.000e+06 0.00e+00 a 0 - - - >> 74 7.287 2.302 111.171 1 T 2.550e+06 0.00e+00 a 0 - - - >> 75 7.258 2.682 112.558 1 T 1.690e+06 0.00e+00 a 0 - - - >> 76 7.260 3.112 112.478 1 T 1.110e+06 0.00e+00 a 0 - - - >> 77 7.250 2.839 112.558 1 T 1.630e+06 0.00e+00 a 0 - - - >> 78 7.260 1.318 112.540 1 T 7.590e+05 0.00e+00 a 0 - - - >> 79 7.408 4.851 112.013 1 T 2.050e+06 0.00e+00 a 0 - - - >> 80 7.407 2.266 112.042 1 T 3.090e+06 0.00e+00 a 0 - - - >> 81 6.719 2.262 112.042 1 T 2.090e+06 0.00e+00 a 0 - - - >> 82 6.720 2.069 112.031 1 T 6.950e+05 0.00e+00 a 0 - - - >> 83 7.827 4.845 113.530 1 T 1.580e+06 0.00e+00 a 0 - - - >> 84 7.127 4.853 113.486 1 T 2.050e+06 0.00e+00 a 0 - - - >> 85 7.129 2.916 113.694 1 T 8.060e+05 0.00e+00 a 0 - - - >> 86 7.132 3.103 113.689 1 T 5.710e+05 0.00e+00 a 0 - - - >> 87 7.543 2.413 112.829 1 T 1.530e+06 0.00e+00 a 0 - - - >> 88 6.897 2.425 112.898 1 T 1.300e+06 0.00e+00 a 0 - - - >> 89 7.529 2.906 113.095 1 T 9.890e+05 0.00e+00 a 0 - - - >> 90 7.039 2.528 114.111 1 T 2.610e+06 0.00e+00 a 0 - - - >> 91 7.582 2.218 114.106 1 T 1.570e+06 0.00e+00 a 0 - - - >> 92 7.038 2.207 114.097 1 T 1.050e+06 0.00e+00 a 0 - - - >> 93 7.608 2.462 112.262 1 T 3.560e+06 0.00e+00 a 0 - - - >> 94 7.559 2.494 111.978 1 T 4.750e+06 0.00e+00 a 0 - - - >> 95 6.967 3.103 111.823 1 T 2.030e+06 0.00e+00 a 0 - - - >> 96 6.966 2.884 111.811 1 T 2.410e+06 0.00e+00 a 0 - - - >> 97 6.973 2.489 111.470 1 T 1.080e+06 0.00e+00 a 0 - - - >> 98 7.681 2.212 111.674 1 T 1.290e+06 0.00e+00 a 0 - - - >> 99 6.975 3.267 111.458 1 T 7.810e+05 0.00e+00 a 0 - - - >> 100 6.974 2.688 111.407 1 T 8.070e+05 0.00e+00 a 0 - - - >> 101 6.907 2.938 111.698 1 T 1.610e+06 0.00e+00 a 0 - - - >> 102 6.908 2.856 111.740 1 T 1.670e+06 0.00e+00 a 0 - - - >> 103 7.705 2.949 111.696 1 T 1.900e+06 0.00e+00 a 0 - - - >> 104 7.928 2.077 122.131 1 T 3.420e+06 0.00e+00 a 0 - - - >> 105 7.928 4.071 122.170 1 T 2.260e+06 0.00e+00 a 0 - - - >> 106 7.928 4.847 122.153 1 T 1.440e+06 0.00e+00 a 0 - - - >> 107 6.909 7.696 111.732 1 T 1.420e+07 0.00e+00 a 0 - - - >> 108 6.915 4.852 111.726 1 T 3.480e+06 0.00e+00 a 0 - - - >> 109 6.911 4.476 111.674 1 T 5.070e+05 0.00e+00 a 0 - - - >> 110 6.908 4.577 111.559 1 T 4.590e+05 0.00e+00 a 0 - - - >> 111 6.907 4.280 111.612 1 T 5.590e+05 0.00e+00 a 0 - - - >> 112 7.704 4.851 111.711 1 T 3.300e+06 0.00e+00 a 0 - - - >> 113 7.704 4.592 111.707 1 T 1.010e+06 0.00e+00 a 0 - - - >> 114 7.703 4.460 111.733 1 T 1.120e+06 0.00e+00 a 0 - - - >> 115 7.679 2.476 111.689 1 T 2.910e+06 0.00e+00 a 0 - - - >> 116 7.704 2.071 111.725 1 T 8.400e+05 0.00e+00 a 0 - - - >> 117 7.674 2.078 111.674 1 T 8.590e+05 0.00e+00 a 0 - - - >> 118 7.702 1.245 111.937 1 T 1.050e+06 0.00e+00 a 0 - - - >> 119 7.671 1.248 111.802 1 T 2.330e+06 0.00e+00 a 0 - - - >> 120 7.707 1.056 111.862 1 T 4.870e+05 0.00e+00 a 0 - - - >> 121 7.760 8.154 118.172 1 T 2.950e+06 0.00e+00 a 0 - - - >> 122 7.763 4.855 118.114 1 T 8.370e+05 0.00e+00 a 0 - - - >> 123 7.758 4.566 118.085 1 T 5.560e+05 0.00e+00 a 0 - - - >> 124 7.760 4.071 118.196 1 T 2.640e+06 0.00e+00 a 0 - - - >> 125 7.760 3.985 118.172 1 T 3.320e+06 0.00e+00 a 0 - - - >> 126 7.758 3.002 118.080 1 T 4.410e+05 0.00e+00 a 0 - - - >> 127 7.759 1.888 118.177 1 T 7.600e+06 0.00e+00 a 0 - - - >> 128 7.760 1.761 118.179 1 T 3.930e+06 0.00e+00 a 0 - - - >> 129 7.760 1.502 118.206 1 T 1.870e+06 0.00e+00 a 0 - - - >> 130 7.765 0.756 118.167 1 T 6.260e+05 0.00e+00 a 0 - - - >> 131 7.761 0.983 118.172 1 T 1.270e+06 0.00e+00 a 0 - - - >> 132 7.755 -0.509 118.007 1 T 3.900e+05 0.00e+00 a 0 - - - >> 133 7.994 0.757 120.304 1 T 1.320e+06 0.00e+00 a 0 - - - >> 134 8.151 2.226 120.064 1 T 3.950e+06 0.00e+00 a 0 - - - >> 135 8.138 3.594 119.877 1 T 1.640e+06 0.00e+00 a 0 - - - >> 136 8.150 8.562 119.982 1 T 9.870e+05 0.00e+00 a 0 - - - >> 137 8.302 6.651 115.946 1 T 1.420e+06 0.00e+00 a 0 - - - >> 138 8.301 7.784 115.931 1 T 2.990e+06 0.00e+00 a 0 - - - >> 139 8.299 3.766 115.983 1 T 1.130e+06 0.00e+00 a 0 - - - >> 140 8.303 2.858 115.928 1 T 1.560e+06 0.00e+00 a 0 - - - >> 141 8.288 1.860 115.491 1 T 2.500e+06 0.00e+00 a 0 - - - >> 142 8.290 1.248 115.552 1 T 2.380e+06 0.00e+00 a 0 - - - >> 143 8.288 0.915 115.498 1 T 2.180e+06 0.00e+00 a 0 - - - >> 144 8.115 1.634 122.342 1 T 3.910e+06 0.00e+00 a 0 - - - >> 145 8.111 1.475 122.310 1 T 1.410e+06 0.00e+00 a 0 - - - >> 146 8.112 1.251 122.367 1 T 1.510e+06 0.00e+00 a 0 - - - >> 147 8.113 1.092 122.342 1 T 9.590e+05 0.00e+00 a 0 - - - >> 148 8.113 0.833 122.323 1 T 2.480e+06 0.00e+00 a 0 - - - >> 149 8.118 0.383 122.398 1 T 5.020e+05 0.00e+00 a 0 - - - >> 150 8.108 1.873 122.415 1 T 5.730e+05 0.00e+00 a 0 - - - >> 151 8.118 1.819 122.224 1 T 6.150e+05 0.00e+00 a 0 - - - >> 152 8.107 1.993 122.167 1 T 7.810e+05 0.00e+00 a 0 - - - >> 153 8.121 2.161 122.328 1 T 6.130e+05 0.00e+00 a 0 - - - >> 154 8.109 2.376 122.489 1 T 6.680e+05 0.00e+00 a 0 - - - >> 155 8.112 3.432 122.309 1 T 9.370e+05 0.00e+00 a 0 - - - >> 156 8.114 3.565 122.407 1 T 8.320e+05 0.00e+00 a 0 - - - >> 157 8.114 3.907 122.385 1 T 1.090e+06 0.00e+00 a 0 - - - >> 158 8.114 4.065 122.325 1 T 2.130e+06 0.00e+00 a 0 - - - >> 159 8.116 4.233 122.322 1 T 2.190e+06 0.00e+00 a 0 - - - >> 160 8.116 4.411 122.252 1 T 7.410e+05 0.00e+00 a 0 - - - >> 161 8.111 8.280 122.350 1 T 1.780e+06 0.00e+00 a 0 - - - >> 162 8.115 8.609 122.329 1 T 1.420e+06 0.00e+00 a 0 - - - >> 163 8.603 8.298 105.756 1 T 4.970e+05 0.00e+00 a 0 - - - >> 164 8.610 8.083 105.653 1 T 1.790e+06 0.00e+00 a 0 - - - >> 165 8.611 3.896 105.668 1 T 5.940e+05 0.00e+00 a 0 - - - >> 166 8.611 4.061 105.703 1 T 6.820e+05 0.00e+00 a 0 - - - >> 167 8.610 3.572 105.695 1 T 3.010e+06 0.00e+00 a 0 - - - >> 168 8.610 2.349 105.684 1 T 7.950e+05 0.00e+00 a 0 - - - >> 169 8.607 1.633 105.637 1 T 1.780e+06 0.00e+00 a 0 - - - >> 170 8.610 1.104 105.616 1 T 1.570e+06 0.00e+00 a 0 - - - >> 171 8.610 0.939 105.672 1 T 2.270e+06 0.00e+00 a 0 - - - >> 172 8.613 0.399 105.738 1 T 6.790e+05 0.00e+00 a 0 - - - >> 173 8.037 0.949 119.619 1 T 2.720e+06 0.00e+00 a 0 - - - >> 174 8.041 1.081 119.652 1 T 1.760e+06 0.00e+00 a 0 - - - >> 175 6.674 3.993 110.979 1 T 4.110e+05 0.00e+00 a 0 - - - >> 176 6.680 3.571 110.905 1 T 4.630e+05 0.00e+00 a 0 - - - >> 177 6.674 2.066 110.876 1 T 5.780e+05 0.00e+00 a 0 - - - >> 178 6.676 1.110 110.909 1 T 7.260e+05 0.00e+00 a 0 - - - >> 179 7.258 0.918 110.863 1 T 3.170e+06 0.00e+00 a 0 - - - >> 180 7.265 0.744 111.001 1 T 5.820e+05 0.00e+00 a 0 - - - >> 181 7.259 2.336 110.878 1 T 2.740e+06 0.00e+00 a 0 - - - >> 182 7.257 6.670 110.873 1 T 1.670e+07 0.00e+00 a 0 - - - >> 183 8.558 8.255 121.149 1 T 1.170e+06 0.00e+00 a 0 - - - >> 184 8.557 3.706 121.177 1 T 1.030e+06 0.00e+00 a 0 - - - >> 185 8.552 2.353 121.200 1 T 1.810e+06 0.00e+00 a 0 - - - >> 186 8.550 2.004 121.308 1 T 2.730e+06 0.00e+00 a 0 - - - >> 187 8.554 1.817 121.208 1 T 1.490e+06 0.00e+00 a 0 - - - >> 188 8.553 1.085 121.181 1 T 1.090e+06 0.00e+00 a 0 - - - >> 189 8.551 0.872 121.292 1 T 3.780e+06 0.00e+00 a 0 - - - >> 190 8.259 1.100 119.375 1 T 7.790e+05 0.00e+00 a 0 - - - >> 191 8.260 0.911 119.327 1 T 1.800e+06 0.00e+00 a 0 - - - >> 192 8.263 0.720 119.187 1 T 1.650e+06 0.00e+00 a 0 - - - >> 193 8.251 0.278 119.312 1 T 5.170e+05 0.00e+00 a 0 - - - >> 194 8.278 1.644 119.260 1 T 1.950e+06 0.00e+00 a 0 - - - >> 195 8.263 1.528 119.161 1 T 1.290e+06 0.00e+00 a 0 - - - >> 196 8.280 1.855 119.249 1 T 2.110e+06 0.00e+00 a 0 - - - >> 197 8.260 1.991 119.285 1 T 2.540e+06 0.00e+00 a 0 - - - >> 198 8.169 3.249 119.340 1 T 6.030e+05 0.00e+00 a 0 - - - >> 199 8.257 3.170 119.209 1 T 3.380e+06 0.00e+00 a 0 - - - >> 200 8.278 4.850 119.254 1 T 1.150e+06 0.00e+00 a 0 - - - >> 201 8.256 7.821 119.217 1 T 1.520e+06 0.00e+00 a 0 - - - >> 202 8.279 8.438 119.190 1 T 1.290e+06 0.00e+00 a 0 - - - >> 203 7.829 8.575 118.847 1 T 9.740e+05 0.00e+00 a 0 - - - >> 204 7.822 8.409 118.859 1 T 3.400e+06 0.00e+00 a 0 - - - >> 205 7.829 8.233 118.831 1 T 1.930e+06 0.00e+00 a 0 - - - >> 206 7.831 3.972 118.778 1 T 1.770e+06 0.00e+00 a 0 - - - >> 207 7.832 3.479 118.755 1 T 8.550e+05 0.00e+00 a 0 - - - >> 208 7.814 2.691 118.836 1 T 1.040e+06 0.00e+00 a 0 - - - >> 209 7.832 1.949 118.784 1 T 7.940e+06 0.00e+00 a 0 - - - >> 210 7.832 1.526 118.848 1 T 1.590e+06 0.00e+00 a 0 - - - >> 211 7.832 1.384 118.750 1 T 1.350e+06 0.00e+00 a 0 - - - >> 212 7.829 1.080 118.696 1 T 7.790e+05 0.00e+00 a 0 - - - >> 213 7.829 0.946 118.805 1 T 1.070e+06 0.00e+00 a 0 - - - >> 214 8.401 0.978 117.748 1 T 6.370e+05 0.00e+00 a 0 - - - >> 215 8.434 0.952 117.636 1 T 1.430e+06 0.00e+00 a 0 - - - >> 216 8.432 1.699 117.624 1 T 1.810e+06 0.00e+00 a 0 - - - >> 217 8.434 1.954 117.607 1 T 5.860e+06 0.00e+00 a 0 - - - >> 218 8.437 2.619 117.551 1 T 5.390e+05 0.00e+00 a 0 - - - >> 219 8.429 3.101 117.626 1 T 8.970e+05 0.00e+00 a 0 - - - >> 220 8.436 3.493 117.644 1 T 7.200e+05 0.00e+00 a 0 - - - >> 221 8.434 3.706 117.649 1 T 1.270e+06 0.00e+00 a 0 - - - >> 222 8.433 3.980 117.609 1 T 2.530e+06 0.00e+00 a 0 - - - >> 223 8.434 7.835 117.615 1 T 1.530e+06 0.00e+00 a 0 - - - >> 224 8.432 8.604 117.619 1 T 1.640e+06 0.00e+00 a 0 - - - >> 225 8.611 8.438 118.597 1 T 2.360e+06 0.00e+00 a 0 - - - >> 226 8.610 7.659 118.558 1 T 1.210e+06 0.00e+00 a 0 - - - >> 227 8.603 7.822 118.492 1 T 6.850e+05 0.00e+00 a 0 - - - >> 228 8.613 7.197 118.666 1 T 5.650e+05 0.00e+00 a 0 - - - >> 229 8.605 7.006 118.545 1 T 7.090e+05 0.00e+00 a 0 - - - >> 230 8.603 4.135 118.546 1 T 8.440e+05 0.00e+00 a 0 - - - >> 231 8.612 4.220 118.561 1 T 7.140e+05 0.00e+00 a 0 - - - >> 232 8.611 3.919 118.562 1 T 3.240e+06 0.00e+00 a 0 - - - >> 233 8.610 3.471 118.580 1 T 1.010e+06 0.00e+00 a 0 - - - >> 234 8.610 3.120 118.613 1 T 2.270e+06 0.00e+00 a 0 - - - >> 235 8.612 2.610 118.608 1 T 3.300e+06 0.00e+00 a 0 - - - >> 236 8.611 1.958 118.530 1 T 3.380e+06 0.00e+00 a 0 - - - >> 237 8.607 1.680 118.477 1 T 1.170e+06 0.00e+00 a 0 - - - >> 238 8.637 0.837 118.481 1 T 7.410e+05 0.00e+00 a 0 - - - >> 239 8.607 0.836 118.507 1 T 1.250e+06 0.00e+00 a 0 - - - >> 240 8.611 0.732 118.680 1 T 1.160e+06 0.00e+00 a 0 - - - >> 241 7.669 0.996 118.413 1 T 6.210e+05 0.00e+00 a 0 - - - >> 242 7.668 1.955 118.584 1 T 7.720e+06 0.00e+00 a 0 - - - >> 243 7.667 2.613 118.684 1 T 1.320e+06 0.00e+00 a 0 - - - >> 244 7.668 3.128 118.583 1 T 1.160e+06 0.00e+00 a 0 - - - >> 245 7.669 3.844 118.558 1 T 2.880e+06 0.00e+00 a 0 - - - >> 246 7.209 7.662 115.310 1 T 1.640e+06 0.00e+00 a 0 - - - >> 247 7.211 7.021 115.367 1 T 2.490e+06 0.00e+00 a 0 - - - >> 248 7.207 3.682 115.401 1 T 5.600e+05 0.00e+00 a 0 - - - >> 249 7.213 3.047 115.363 1 T 1.140e+06 0.00e+00 a 0 - - - >> 250 7.210 2.466 115.392 1 T 1.980e+06 0.00e+00 a 0 - - - >> 251 7.159 2.449 115.380 1 T 9.900e+05 0.00e+00 a 0 - - - >> 252 7.207 2.221 115.370 1 T 2.550e+06 0.00e+00 a 0 - - - >> 253 7.210 2.115 115.358 1 T 3.140e+06 0.00e+00 a 0 - - - >> 254 7.209 1.955 115.362 1 T 5.180e+06 0.00e+00 a 0 - - - >> 255 7.025 0.948 120.986 1 T 6.600e+05 0.00e+00 a 0 - - - >> 256 7.021 1.256 120.773 1 T 6.490e+05 0.00e+00 a 0 - - - >> 257 7.028 1.637 120.869 1 T 5.610e+05 0.00e+00 a 0 - - - >> 258 7.024 1.953 120.886 1 T 1.710e+06 0.00e+00 a 0 - - - >> 259 7.024 2.127 120.859 1 T 3.350e+06 0.00e+00 a 0 - - - >> 260 7.026 2.302 120.888 1 T 2.210e+06 0.00e+00 a 0 - - - >> 261 7.026 3.011 120.872 1 T 4.040e+06 0.00e+00 a 0 - - - >> 262 7.021 3.899 120.906 1 T 1.350e+06 0.00e+00 a 0 - - - >> 263 7.025 4.249 120.843 1 T 3.090e+06 0.00e+00 a 0 - - - >> 264 7.026 7.212 120.882 1 T 2.910e+06 0.00e+00 a 0 - - - >> 265 7.023 7.667 120.875 1 T 6.900e+05 0.00e+00 a 0 - - - >> 266 7.021 8.788 120.868 1 T 8.730e+05 0.00e+00 a 0 - - - >> 267 8.764 7.078 120.371 1 T 7.120e+05 0.00e+00 a 0 - - - >> 268 8.769 6.943 120.447 1 T 5.730e+05 0.00e+00 a 0 - - - >> 269 8.769 4.265 120.320 1 T 1.690e+06 0.00e+00 a 0 - - - >> 270 8.814 4.239 120.356 1 T 1.130e+06 0.00e+00 a 0 - - - >> 271 8.818 4.163 120.183 1 T 9.810e+05 0.00e+00 a 0 - - - >> 272 8.763 3.977 120.297 1 T 1.050e+06 0.00e+00 a 0 - - - >> 273 8.770 3.397 120.151 1 T 5.670e+05 0.00e+00 a 0 - - - >> 274 8.810 3.300 120.325 1 T 9.920e+05 0.00e+00 a 0 - - - >> 275 8.776 3.019 120.444 1 T 6.850e+05 0.00e+00 a 0 - - - >> 276 8.755 3.020 120.180 1 T 7.410e+05 0.00e+00 a 0 - - - >> 277 8.816 2.891 120.149 1 T 6.070e+05 0.00e+00 a 0 - - - >> 278 8.755 2.254 120.381 1 T 9.600e+05 0.00e+00 a 0 - - - >> 279 8.758 1.619 120.335 1 T 5.510e+05 0.00e+00 a 0 - - - >> 280 8.772 0.991 120.307 1 T 7.650e+05 0.00e+00 a 0 - - - >> 281 8.747 0.992 120.317 1 T 7.350e+05 0.00e+00 a 0 - - - >> 282 7.093 0.806 115.750 1 T 9.540e+05 0.00e+00 a 0 - - - >> 283 7.097 0.969 115.796 1 T 1.250e+06 0.00e+00 a 0 - - - >> 284 7.093 1.337 115.800 1 T 1.810e+06 0.00e+00 a 0 - - - >> 285 7.090 1.636 115.722 1 T 6.190e+05 0.00e+00 a 0 - - - >> 286 7.095 2.303 115.785 1 T 1.490e+06 0.00e+00 a 0 - - - >> 287 7.092 2.234 115.746 1 T 1.590e+06 0.00e+00 a 0 - - - >> 288 7.091 2.662 115.746 1 T 1.530e+06 0.00e+00 a 0 - - - >> 289 7.091 3.003 115.814 1 T 1.670e+06 0.00e+00 a 0 - - - >> 290 7.091 3.308 115.746 1 T 1.210e+06 0.00e+00 a 0 - - - >> 291 7.094 3.985 115.799 1 T 1.470e+06 0.00e+00 a 0 - - - >> 292 7.095 4.265 115.839 1 T 1.580e+06 0.00e+00 a 0 - - - >> 293 7.095 5.038 115.798 1 T 2.190e+06 0.00e+00 a 0 - - - >> 294 7.092 7.284 115.736 1 T 2.260e+06 0.00e+00 a 0 - - - >> 295 7.092 8.766 115.799 1 T 1.560e+06 0.00e+00 a 0 - - - >> 296 7.099 9.025 115.904 1 T 6.850e+05 0.00e+00 a 0 - - - >> 297 9.043 8.364 113.583 1 T 7.170e+05 0.00e+00 a 0 - - - >> 298 9.043 7.282 113.535 1 T 8.340e+05 0.00e+00 a 0 - - - >> 299 9.029 7.088 113.410 1 T 4.670e+05 0.00e+00 a 0 - - - >> 300 9.046 5.039 113.578 1 T 2.880e+06 0.00e+00 a 0 - - - >> 301 9.045 3.751 113.559 1 T 2.710e+06 0.00e+00 a 0 - - - >> 302 9.046 3.326 113.548 1 T 1.180e+06 0.00e+00 a 0 - - - >> 303 9.045 2.942 113.521 1 T 8.380e+05 0.00e+00 a 0 - - - >> 304 9.048 2.770 113.588 1 T 1.350e+06 0.00e+00 a 0 - - - >> 305 9.045 1.767 113.508 1 T 5.730e+05 0.00e+00 a 0 - - - >> 306 9.044 1.311 113.577 1 T 1.580e+06 0.00e+00 a 0 - - - >> 307 9.049 0.823 113.492 1 T 5.450e+05 0.00e+00 a 0 - - - >> 308 8.364 1.285 116.634 1 T 2.970e+06 0.00e+00 a 0 - - - >> 309 8.363 1.693 116.654 1 T 3.790e+06 0.00e+00 a 0 - - - >> 310 8.371 2.789 116.648 1 T 7.630e+05 0.00e+00 a 0 - - - >> 311 8.368 2.974 116.620 1 T 1.010e+06 0.00e+00 a 0 - - - >> 312 8.365 3.669 116.641 1 T 2.150e+06 0.00e+00 a 0 - - - >> 313 10.701 1.402 121.374 1 T 1.170e+06 0.00e+00 a 0 - - - >> 314 10.702 1.694 121.307 1 T 2.110e+06 0.00e+00 a 0 - - - >> 315 10.700 1.851 121.280 1 T 1.740e+06 0.00e+00 a 0 - - - >> 316 10.701 2.106 121.315 1 T 2.440e+06 0.00e+00 a 0 - - - >> 317 10.698 2.750 121.402 1 T 6.630e+05 0.00e+00 a 0 - - - >> 318 10.699 2.981 121.289 1 T 9.110e+05 0.00e+00 a 0 - - - >> 319 10.706 3.660 121.224 1 T 6.110e+05 0.00e+00 a 0 - - - >> 320 10.700 4.051 121.317 1 T 1.800e+06 0.00e+00 a 0 - - - >> 321 10.699 8.362 121.377 1 T 9.350e+05 0.00e+00 a 0 - - - >> 322 10.695 9.202 121.314 1 T 1.390e+06 0.00e+00 a 0 - - - >> 323 10.699 8.916 121.289 1 T 4.810e+05 0.00e+00 a 0 - - - >> 324 9.207 10.695 119.987 1 T 1.020e+06 0.00e+00 a 0 - - - >> 325 9.200 8.940 119.939 1 T 1.000e+06 0.00e+00 a 0 - - - >> 326 9.206 4.854 120.016 1 T 4.910e+05 0.00e+00 a 0 - - - >> 327 9.198 4.297 120.033 1 T 5.240e+05 0.00e+00 a 0 - - - >> 328 9.204 4.044 120.018 1 T 1.570e+06 0.00e+00 a 0 - - - >> 329 9.203 2.726 119.974 1 T 1.270e+06 0.00e+00 a 0 - - - >> 330 9.205 2.440 119.993 1 T 1.090e+06 0.00e+00 a 0 - - - >> 331 9.205 2.399 120.035 1 T 1.100e+06 0.00e+00 a 0 - - - >> 332 9.203 2.116 119.973 1 T 2.450e+06 0.00e+00 a 0 - - - >> 333 9.208 1.851 120.041 1 T 9.960e+05 0.00e+00 a 0 - - - >> 334 9.204 1.683 119.949 1 T 5.970e+05 0.00e+00 a 0 - - - >> 335 8.949 1.715 119.446 1 T 7.460e+05 0.00e+00 a 0 - - - >> 336 8.947 1.858 119.491 1 T 1.050e+06 0.00e+00 a 0 - - - >> 337 8.951 2.106 119.481 1 T 1.380e+06 0.00e+00 a 0 - - - >> 338 8.944 2.443 119.442 1 T 9.310e+05 0.00e+00 a 0 - - - >> 339 8.948 2.781 119.464 1 T 1.710e+06 0.00e+00 a 0 - - - >> 340 8.945 2.976 119.511 1 T 1.990e+06 0.00e+00 a 0 - - - >> 341 8.947 3.488 119.501 1 T 1.930e+06 0.00e+00 a 0 - - - >> 342 8.947 3.663 119.605 1 T 1.020e+06 0.00e+00 a 0 - - - >> 343 8.947 4.054 119.516 1 T 1.310e+06 0.00e+00 a 0 - - - >> 344 8.946 7.199 119.499 1 T 7.940e+05 0.00e+00 a 0 - - - >> 345 8.948 8.701 119.424 1 T 1.640e+06 0.00e+00 a 0 - - - >> 346 8.947 9.199 119.494 1 T 1.010e+06 0.00e+00 a 0 - - - >> 347 8.948 10.699 119.549 1 T 5.400e+05 0.00e+00 a 0 - - - >> 348 8.705 8.947 119.453 1 T 1.340e+06 0.00e+00 a 0 - - - >> 349 8.705 7.734 119.419 1 T 1.460e+06 0.00e+00 a 0 - - - >> 350 8.707 3.919 119.452 1 T 2.420e+06 0.00e+00 a 0 - - - >> 351 8.703 3.661 119.385 1 T 1.000e+06 0.00e+00 a 0 - - - >> 352 8.704 3.476 119.481 1 T 8.030e+05 0.00e+00 a 0 - - - >> 353 8.706 3.088 119.485 1 T 1.390e+06 0.00e+00 a 0 - - - >> 354 8.704 1.865 119.433 1 T 3.710e+06 0.00e+00 a 0 - - - >> 355 8.705 1.712 119.385 1 T 2.830e+06 0.00e+00 a 0 - - - >> 356 8.706 1.517 119.398 1 T 1.550e+06 0.00e+00 a 0 - - - >> 357 7.734 1.099 119.503 1 T 1.050e+06 0.00e+00 a 0 - - - >> 358 7.734 1.550 119.503 1 T 8.280e+05 0.00e+00 a 0 - - - >> 359 7.737 1.880 119.594 1 T 3.620e+06 0.00e+00 a 0 - - - >> 360 7.732 2.916 119.538 1 T 1.110e+06 0.00e+00 a 0 - - - >> 361 7.738 3.141 119.562 1 T 7.220e+05 0.00e+00 a 0 - - - >> 362 7.734 4.849 119.573 1 T 7.540e+05 0.00e+00 a 0 - - - >> 363 7.736 7.271 119.616 1 T 1.530e+06 0.00e+00 a 0 - - - >> 364 7.736 7.935 119.803 1 T 6.250e+05 0.00e+00 a 0 - - - >> 365 7.736 8.705 119.556 1 T 1.520e+06 0.00e+00 a 0 - - - >> 366 7.734 8.950 119.571 1 T 5.350e+05 0.00e+00 a 0 - - - >> 367 7.269 7.734 120.774 1 T 1.100e+06 0.00e+00 a 0 - - - >> 368 7.274 7.942 120.729 1 T 1.010e+06 0.00e+00 a 0 - - - >> 369 7.275 3.954 120.761 1 T 9.460e+05 0.00e+00 a 0 - - - >> 370 7.271 4.113 120.770 1 T 1.290e+06 0.00e+00 a 0 - - - >> 371 7.273 3.471 120.817 1 T 5.980e+05 0.00e+00 a 0 - - - >> 372 7.273 1.824 120.821 1 T 1.930e+06 0.00e+00 a 0 - - - >> 373 7.275 1.026 120.818 1 T 2.090e+06 0.00e+00 a 0 - - - >> 374 7.271 0.516 120.837 1 T 7.950e+05 0.00e+00 a 0 - - - >> 375 7.275 -0.245 120.834 1 T 1.040e+06 0.00e+00 a 0 - - - >> 376 7.968 -0.252 105.306 1 T 7.590e+05 0.00e+00 a 0 - - - >> 377 7.965 1.018 105.305 1 T 1.350e+06 0.00e+00 a 0 - - - >> 378 7.969 1.825 105.261 1 T 1.100e+06 0.00e+00 a 0 - - - >> 379 7.959 2.610 105.290 1 T 9.440e+05 0.00e+00 a 0 - - - >> 380 7.964 3.159 105.236 1 T 1.060e+06 0.00e+00 a 0 - - - >> 381 7.966 3.467 105.303 1 T 1.700e+06 0.00e+00 a 0 - - - >> 382 7.963 3.920 105.256 1 T 1.730e+06 0.00e+00 a 0 - - - >> 383 7.965 4.111 105.224 1 T 2.210e+06 0.00e+00 a 0 - - - >> 384 7.964 7.259 105.201 1 T 1.140e+06 0.00e+00 a 0 - - - >> 385 7.963 8.373 105.274 1 T 9.220e+05 0.00e+00 a 0 - - - >> 386 8.372 8.754 120.835 1 T 1.780e+06 0.00e+00 a 0 - - - >> 387 8.371 7.969 120.806 1 T 1.860e+06 0.00e+00 a 0 - - - >> 388 8.375 6.791 120.840 1 T 5.420e+05 0.00e+00 a 0 - - - >> 389 8.373 4.249 120.788 1 T 2.770e+06 0.00e+00 a 0 - - - >> 390 8.373 3.929 120.819 1 T 2.030e+06 0.00e+00 a 0 - - - >> 391 8.372 3.166 120.784 1 T 4.940e+06 0.00e+00 a 0 - - - >> 392 8.375 1.607 120.801 1 T 9.800e+05 0.00e+00 a 0 - - - >> 393 8.372 1.526 120.967 1 T 1.020e+06 0.00e+00 a 0 - - - >> 394 8.384 1.295 120.770 1 T 5.710e+05 0.00e+00 a 0 - - - >> 395 8.373 0.980 120.780 1 T 1.190e+06 0.00e+00 a 0 - - - >> 396 8.361 1.870 120.768 1 T 1.040e+06 0.00e+00 a 0 - - - >> 397 8.753 0.947 121.744 1 T 1.790e+06 0.00e+00 a 0 - - - >> 398 8.756 0.543 121.720 1 T 5.970e+05 0.00e+00 a 0 - - - >> 399 8.756 1.291 121.792 1 T 1.390e+06 0.00e+00 a 0 - - - >> 400 8.755 1.611 121.762 1 T 1.770e+06 0.00e+00 a 0 - - - >> 401 8.757 2.229 121.853 1 T 1.370e+06 0.00e+00 a 0 - - - >> 402 8.754 3.163 121.726 1 T 1.750e+06 0.00e+00 a 0 - - - >> 403 8.756 3.897 121.763 1 T 2.290e+06 0.00e+00 a 0 - - - >> 404 8.755 6.102 121.866 1 T 6.980e+05 0.00e+00 a 0 - - - >> 405 8.760 7.258 121.837 1 T 8.430e+05 0.00e+00 a 0 - - - >> 406 8.756 7.961 121.826 1 T 8.990e+05 0.00e+00 a 0 - - - >> 407 8.755 8.372 121.779 1 T 1.760e+06 0.00e+00 a 0 - - - >> 408 8.762 8.511 121.789 1 T 1.710e+06 0.00e+00 a 0 - - - >> 409 8.894 8.461 121.839 1 T 6.180e+05 0.00e+00 a 0 - - - >> 410 8.507 8.749 118.587 1 T 1.460e+06 0.00e+00 a 0 - - - >> 411 8.510 7.956 118.504 1 T 1.380e+06 0.00e+00 a 0 - - - >> 412 8.517 7.804 118.569 1 T 6.750e+05 0.00e+00 a 0 - - - >> 413 8.508 4.106 118.585 1 T 7.370e+05 0.00e+00 a 0 - - - >> 414 8.511 3.467 118.543 1 T 1.770e+06 0.00e+00 a 0 - - - >> 415 8.511 2.181 118.535 1 T 2.590e+06 0.00e+00 a 0 - - - >> 416 8.508 1.601 118.535 1 T 1.440e+06 0.00e+00 a 0 - - - >> 417 8.510 1.431 118.637 1 T 1.080e+06 0.00e+00 a 0 - - - >> 418 8.510 0.929 118.557 1 T 4.390e+06 0.00e+00 a 0 - - - >> 419 8.513 0.512 118.474 1 T 1.000e+06 0.00e+00 a 0 - - - >> 420 7.951 0.262 118.126 1 T 1.100e+06 0.00e+00 a 0 - - - >> 421 7.952 0.435 118.168 1 T 1.410e+06 0.00e+00 a 0 - - - >> 422 7.951 0.935 118.176 1 T 2.390e+06 0.00e+00 a 0 - - - >> 423 7.951 1.382 118.223 1 T 1.830e+06 0.00e+00 a 0 - - - >> 424 7.951 3.467 118.157 1 T 9.520e+05 0.00e+00 a 0 - - - >> 425 7.952 3.929 118.194 1 T 1.950e+06 0.00e+00 a 0 - - - >> 426 7.953 7.804 118.224 1 T 2.030e+06 0.00e+00 a 0 - - - >> 427 7.950 8.512 118.128 1 T 1.330e+06 0.00e+00 a 0 - - - >> 428 7.796 3.779 105.165 1 T 4.570e+06 0.00e+00 a 0 - - - >> 429 7.789 4.253 105.174 1 T 7.290e+05 0.00e+00 a 0 - - - >> 430 7.795 1.583 105.165 1 T 1.740e+06 0.00e+00 a 0 - - - >> 431 7.794 1.389 105.182 1 T 9.260e+05 0.00e+00 a 0 - - - >> 432 7.790 1.853 105.237 1 T 5.540e+05 0.00e+00 a 0 - - - >> 433 7.800 0.968 105.212 1 T 6.270e+05 0.00e+00 a 0 - - - >> 434 7.799 0.267 105.227 1 T 7.130e+05 0.00e+00 a 0 - - - >> 435 7.802 0.398 104.963 1 T 7.140e+05 0.00e+00 a 0 - - - >> 436 7.848 -0.064 121.001 1 T 1.310e+06 0.00e+00 a 0 - - - >> 437 7.847 1.035 121.016 1 T 1.770e+06 0.00e+00 a 0 - - - >> 438 7.849 1.601 121.076 1 T 2.800e+06 0.00e+00 a 0 - - - >> 439 7.852 2.185 121.072 1 T 4.500e+06 0.00e+00 a 0 - - - >> 440 7.853 2.504 121.032 1 T 2.620e+06 0.00e+00 a 0 - - - >> 441 7.847 4.270 120.999 1 T 8.510e+05 0.00e+00 a 0 - - - >> 442 7.853 4.571 121.115 1 T 1.690e+06 0.00e+00 a 0 - - - >> 443 7.853 7.050 120.994 1 T 6.140e+05 0.00e+00 a 0 - - - >> 444 7.848 7.592 121.026 1 T 2.440e+06 0.00e+00 a 0 - - - >> 445 7.850 8.483 121.182 1 T 6.740e+05 0.00e+00 a 0 - - - >> 446 7.853 8.868 121.115 1 T 1.580e+06 0.00e+00 a 0 - - - >> 447 7.605 7.831 108.224 1 T 1.720e+06 0.00e+00 a 0 - - - >> 448 7.604 3.629 108.237 1 T 8.740e+05 0.00e+00 a 0 - - - >> 449 7.601 3.939 108.148 1 T 7.600e+05 0.00e+00 a 0 - - - >> 450 7.601 2.175 108.208 1 T 1.140e+06 0.00e+00 a 0 - - - >> 451 7.603 2.035 108.119 1 T 7.750e+05 0.00e+00 a 0 - - - >> 452 7.602 1.614 108.227 1 T 2.090e+06 0.00e+00 a 0 - - - >> 453 7.604 1.859 108.231 1 T 1.040e+06 0.00e+00 a 0 - - - >> 454 7.603 1.092 108.246 1 T 2.020e+06 0.00e+00 a 0 - - - >> 455 7.602 0.959 108.223 1 T 1.650e+06 0.00e+00 a 0 - - - >> 456 7.602 0.829 108.326 1 T 9.460e+05 0.00e+00 a 0 - - - >> 457 7.578 4.539 123.084 1 T 2.100e+06 0.00e+00 a 0 - - - >> 458 7.574 3.789 123.127 1 T 6.210e+05 0.00e+00 a 0 - - - >> 459 7.577 3.953 123.026 1 T 1.860e+06 0.00e+00 a 0 - - - >> 460 7.569 4.283 123.114 1 T 5.450e+05 0.00e+00 a 0 - - - >> 461 7.575 1.588 123.072 1 T 2.090e+06 0.00e+00 a 0 - - - >> 462 7.577 2.027 123.090 1 T 3.680e+06 0.00e+00 a 0 - - - >> 463 7.579 1.100 123.134 1 T 9.150e+05 0.00e+00 a 0 - - - >> 464 7.576 0.948 123.084 1 T 7.390e+05 0.00e+00 a 0 - - - >> 465 7.159 8.295 115.331 1 T 1.750e+06 0.00e+00 a 0 - - - >> 466 7.156 7.770 115.358 1 T 8.280e+05 0.00e+00 a 0 - - - >> 467 7.154 4.509 115.438 1 T 9.660e+05 0.00e+00 a 0 - - - >> 468 7.156 3.646 115.302 1 T 8.200e+05 0.00e+00 a 0 - - - >> 469 7.158 2.027 115.341 1 T 2.970e+06 0.00e+00 a 0 - - - >> 470 7.157 2.221 115.359 1 T 2.780e+06 0.00e+00 a 0 - - - >> 471 7.157 1.809 115.313 1 T 1.500e+06 0.00e+00 a 0 - - - >> 472 7.158 1.554 115.317 1 T 1.520e+06 0.00e+00 a 0 - - - >> 473 7.158 1.068 115.350 1 T 1.630e+06 0.00e+00 a 0 - - - >> 474 7.156 0.934 115.377 1 T 2.180e+06 0.00e+00 a 0 - - - >> 475 7.162 0.767 115.366 1 T 7.050e+05 0.00e+00 a 0 - - - >> 476 8.306 0.811 120.031 1 T 2.170e+06 0.00e+00 a 0 - - - >> 477 8.305 0.954 120.050 1 T 3.160e+06 0.00e+00 a 0 - - - >> 478 8.297 1.581 120.002 1 T 1.480e+06 0.00e+00 a 0 - - - >> 479 8.299 4.287 120.019 1 T 1.040e+06 0.00e+00 a 0 - - - >> 480 8.298 4.129 120.142 1 T 1.440e+06 0.00e+00 a 0 - - - >> 481 8.313 6.738 120.021 1 T 5.660e+05 0.00e+00 a 0 - - - >> 482 8.300 7.160 120.061 1 T 2.070e+06 0.00e+00 a 0 - - - >> 483 8.298 7.769 120.107 1 T 2.240e+06 0.00e+00 a 0 - - - >> 484 8.306 8.121 119.953 1 T 2.560e+06 0.00e+00 a 0 - - - >> 485 8.307 7.989 119.980 1 T 1.720e+06 0.00e+00 a 0 - - - >> 486 7.773 8.301 117.161 1 T 1.800e+06 0.00e+00 a 0 - - - >> 487 7.770 7.179 117.271 1 T 6.240e+05 0.00e+00 a 0 - - - >> 488 7.770 4.497 117.221 1 T 1.410e+06 0.00e+00 a 0 - - - >> 489 7.776 4.289 117.175 1 T 2.720e+06 0.00e+00 a 0 - - - >> 490 7.778 4.142 117.197 1 T 9.610e+05 0.00e+00 a 0 - - - >> 491 7.777 3.946 117.274 1 T 1.200e+06 0.00e+00 a 0 - - - >> 492 7.775 2.765 117.144 1 T 2.040e+06 0.00e+00 a 0 - - - >> 493 7.775 2.613 117.202 1 T 1.480e+06 0.00e+00 a 0 - - - >> 494 7.773 2.362 117.126 1 T 1.860e+06 0.00e+00 a 0 - - - >> 495 7.775 2.222 117.162 1 T 4.880e+06 0.00e+00 a 0 - - - >> 496 7.774 0.929 117.094 1 T 7.410e+05 0.00e+00 a 0 - - - >> 497 7.760 0.920 120.474 1 T 2.710e+06 0.00e+00 a 0 - - - >> 498 7.761 1.814 120.454 1 T 6.250e+06 0.00e+00 a 0 - - - >> 499 7.764 2.096 120.508 1 T 1.810e+06 0.00e+00 a 0 - - - >> 500 7.763 2.225 120.452 1 T 2.870e+06 0.00e+00 a 0 - - - >> 501 7.759 2.759 120.366 1 T 7.590e+05 0.00e+00 a 0 - - - >> 502 7.761 4.145 120.450 1 T 3.710e+06 0.00e+00 a 0 - - - >> 503 7.760 4.289 120.361 1 T 1.220e+06 0.00e+00 a 0 - - - >> 504 7.766 4.498 120.365 1 T 7.010e+05 0.00e+00 a 0 - - - >> 505 7.764 8.115 120.454 1 T 1.890e+06 0.00e+00 a 0 - - - >> 506 7.760 8.283 120.463 1 T 5.600e+05 0.00e+00 a 0 - - - >> 507 6.797 4.859 110.618 1 T 1.070e+06 0.00e+00 a 0 - - - >> 508 6.799 4.079 110.544 1 T 1.050e+06 0.00e+00 a 0 - - - >> 509 6.792 3.965 110.419 1 T 1.050e+06 0.00e+00 a 0 - - - >> 510 6.792 1.891 110.549 1 T 1.170e+06 0.00e+00 a 0 - - - >> 511 6.795 1.412 110.519 1 T 7.700e+05 0.00e+00 a 0 - - - >> 512 6.794 0.764 110.488 1 T 1.780e+06 0.00e+00 a 0 - - - >> 513 7.592 0.766 110.400 1 T 1.360e+06 0.00e+00 a 0 - - - >> 514 7.592 0.956 110.402 1 T 1.220e+06 0.00e+00 a 0 - - - >> 515 7.592 1.677 110.462 1 T 7.210e+05 0.00e+00 a 0 - - - >> 516 7.592 4.075 110.408 1 T 7.210e+05 0.00e+00 a 0 - - - >> 517 7.538 3.964 110.474 1 T 7.790e+05 0.00e+00 a 0 - - - >> 518 7.589 6.638 110.436 1 T 1.010e+06 0.00e+00 a 0 - - - >> 519 7.590 8.119 110.470 1 T 8.080e+05 0.00e+00 a 0 - - - >> 520 8.033 4.849 119.297 1 T 1.910e+06 0.00e+00 a 0 - - - >> 521 8.035 4.573 119.264 1 T 3.290e+06 0.00e+00 a 0 - - - >> 522 8.035 4.083 119.314 1 T 3.350e+06 0.00e+00 a 0 - - - >> 523 8.034 2.747 119.283 1 T 5.330e+06 0.00e+00 a 0 - - - >> 524 6.936 2.209 112.129 1 T 1.530e+06 0.00e+00 a 0 - - - >> 525 6.936 2.473 112.203 1 T 4.140e+06 0.00e+00 a 0 - - - >> 526 6.941 4.139 112.110 1 T 1.150e+06 0.00e+00 a 0 - - - >> 527 6.944 4.271 112.131 1 T 1.180e+06 0.00e+00 a 0 - - - >> 528 6.947 4.463 112.104 1 T 9.920e+05 0.00e+00 a 0 - - - >> 529 6.940 5.721 112.145 1 T 6.120e+05 0.00e+00 a 0 - - - >> 530 6.935 7.586 112.214 1 T 5.950e+07 0.00e+00 a 0 - - - >> 531 7.608 6.931 112.274 1 T 3.870e+07 0.00e+00 a 0 - - - >> 532 7.609 4.853 112.259 1 T 4.190e+06 0.00e+00 a 0 - - - >> 533 8.217 3.969 108.367 1 T 2.680e+06 0.00e+00 a 0 - - - >> 534 8.214 4.257 108.398 1 T 1.120e+06 0.00e+00 a 0 - - - >> 535 8.217 4.847 108.455 1 T 9.800e+05 0.00e+00 a 0 - - - >> 536 8.197 4.851 116.721 1 T 9.540e+05 0.00e+00 a 0 - - - >> 537 8.195 4.427 116.786 1 T 1.680e+06 0.00e+00 a 0 - - - >> 538 8.195 3.826 116.750 1 T 1.180e+06 0.00e+00 a 0 - - - >> 539 8.470 1.006 124.493 1 T 4.880e+06 0.00e+00 a 0 - - - >> 540 8.469 2.061 124.473 1 T 3.450e+06 0.00e+00 a 0 - - - >> 541 8.470 3.833 124.503 1 T 2.300e+06 0.00e+00 a 0 - - - >> 542 8.470 4.337 124.467 1 T 1.420e+06 0.00e+00 a 0 - - - >> 543 8.470 4.539 124.492 1 T 6.120e+06 0.00e+00 a 0 - - - >> 544 8.471 4.847 124.460 1 T 1.570e+06 0.00e+00 a 0 - - - >> 545 9.004 4.851 119.634 1 T 9.330e+05 0.00e+00 a 0 - - - >> 546 9.004 4.446 119.674 1 T 3.680e+06 0.00e+00 a 0 - - - >> 547 8.415 2.209 123.028 1 T 3.780e+06 0.00e+00 a 0 - - - >> 548 8.451 1.455 123.055 1 T 2.430e+06 0.00e+00 a 0 - - - >> 549 8.413 1.438 123.046 1 T 4.750e+06 0.00e+00 a 0 - - - >> 550 8.415 1.132 122.988 1 T 2.050e+06 0.00e+00 a 0 - - - >> 551 8.422 0.970 123.020 1 T 1.850e+06 0.00e+00 a 0 - - - >> 552 8.768 0.756 118.400 1 T 6.250e+05 0.00e+00 a 0 - - - >> 553 8.768 1.569 118.475 1 T 1.500e+06 0.00e+00 a 0 - - - >> 554 8.804 2.076 118.325 1 T 7.390e+05 0.00e+00 a 0 - - - >> 555 8.769 2.052 118.462 1 T 2.010e+06 0.00e+00 a 0 - - - >> 556 8.764 2.414 118.675 1 T 5.510e+05 0.00e+00 a 0 - - - >> 557 8.769 3.834 118.450 1 T 2.000e+06 0.00e+00 a 0 - - - >> 558 8.774 4.153 118.450 1 T 2.060e+06 0.00e+00 a 0 - - - >> 559 8.775 4.033 118.556 1 T 1.050e+06 0.00e+00 a 0 - - - >> 560 8.771 4.328 118.439 1 T 3.320e+06 0.00e+00 a 0 - - - >> 561 8.769 4.843 118.405 1 T 1.040e+06 0.00e+00 a 0 - - - >> 562 8.770 8.457 118.466 1 T 3.290e+06 0.00e+00 a 0 - - - >> 563 8.460 8.020 118.800 1 T 3.060e+06 0.00e+00 a 0 - - - >> 564 8.455 7.320 118.859 1 T 1.180e+06 0.00e+00 a 0 - - - >> 565 8.460 4.852 118.736 1 T 1.310e+06 0.00e+00 a 0 - - - >> 566 8.457 3.263 118.837 1 T 1.150e+06 0.00e+00 a 0 - - - >> 567 8.457 2.096 118.854 1 T 2.030e+06 0.00e+00 a 0 - - - >> 568 8.456 1.850 118.877 1 T 2.500e+06 0.00e+00 a 0 - - - >> 569 8.459 1.273 118.751 1 T 4.070e+06 0.00e+00 a 0 - - - >> 570 8.457 0.890 118.853 1 T 2.250e+06 0.00e+00 a 0 - - - >> 571 8.456 0.725 118.886 1 T 3.060e+06 0.00e+00 a 0 - - - >> 572 8.029 0.738 125.010 1 T 1.430e+06 0.00e+00 a 0 - - - >> 573 8.027 1.784 124.973 1 T 5.800e+05 0.00e+00 a 0 - - - >> 574 8.029 1.594 125.082 1 T 7.870e+05 0.00e+00 a 0 - - - >> 575 8.029 1.445 125.035 1 T 5.390e+06 0.00e+00 a 0 - - - >> 576 8.030 1.280 125.022 1 T 2.440e+06 0.00e+00 a 0 - - - >> 577 8.030 2.065 125.034 1 T 1.300e+06 0.00e+00 a 0 - - - >> 578 8.033 2.416 124.951 1 T 6.610e+05 0.00e+00 a 0 - - - >> 579 8.030 4.268 125.044 1 T 3.330e+06 0.00e+00 a 0 - - - >> 580 8.030 4.159 125.032 1 T 4.180e+06 0.00e+00 a 0 - - - >> 581 8.028 4.023 125.057 1 T 1.930e+06 0.00e+00 a 0 - - - >> 582 8.024 3.824 125.138 1 T 5.770e+05 0.00e+00 a 0 - - - >> 583 8.030 8.462 125.031 1 T 3.010e+06 0.00e+00 a 0 - - - >> 584 8.030 8.995 125.018 1 T 2.000e+06 0.00e+00 a 0 - - - >> 585 9.001 8.469 118.923 1 T 2.640e+06 0.00e+00 a 0 - - - >> 586 9.000 8.035 118.914 1 T 1.680e+06 0.00e+00 a 0 - - - >> 587 9.007 4.601 119.040 1 T 5.820e+05 0.00e+00 a 0 - - - >> 588 9.001 4.144 118.937 1 T 3.040e+06 0.00e+00 a 0 - - - >> 589 9.000 3.830 118.943 1 T 1.520e+06 0.00e+00 a 0 - - - >> 590 9.001 2.780 118.917 1 T 1.660e+06 0.00e+00 a 0 - - - >> 591 9.000 2.411 118.927 1 T 3.240e+06 0.00e+00 a 0 - - - >> 592 9.000 2.059 119.117 1 T 3.130e+06 0.00e+00 a 0 - - - >> 593 8.974 1.590 118.829 1 T 6.710e+05 0.00e+00 a 0 - - - >> 594 9.000 1.446 118.943 1 T 2.270e+06 0.00e+00 a 0 - - - >> 595 8.994 1.244 118.842 1 T 7.580e+05 0.00e+00 a 0 - - - >> 596 9.000 1.055 118.934 1 T 6.340e+05 0.00e+00 a 0 - - - >> 597 9.000 0.718 118.945 1 T 1.420e+06 0.00e+00 a 0 - - - >> 598 8.473 1.095 119.741 1 T 9.140e+05 0.00e+00 a 0 - - - >> 599 8.472 2.415 119.824 1 T 2.340e+06 0.00e+00 a 0 - - - >> 600 8.474 2.883 119.839 1 T 2.870e+06 0.00e+00 a 0 - - - >> 601 8.474 3.101 119.883 1 T 3.350e+06 0.00e+00 a 0 - - - >> 602 8.472 4.006 119.865 1 T 1.910e+06 0.00e+00 a 0 - - - >> 603 8.474 4.152 119.739 1 T 2.080e+06 0.00e+00 a 0 - - - >> 604 8.473 4.622 119.843 1 T 2.700e+06 0.00e+00 a 0 - - - >> 605 8.475 6.936 120.011 1 T 7.310e+05 0.00e+00 a 0 - - - >> 606 8.472 7.674 119.937 1 T 1.080e+06 0.00e+00 a 0 - - - >> 607 8.475 8.806 119.841 1 T 5.430e+05 0.00e+00 a 0 - - - >> 608 8.472 8.989 119.869 1 T 1.900e+06 0.00e+00 a 0 - - - >> 609 6.965 8.469 111.863 1 T 9.090e+05 0.00e+00 a 0 - - - >> 610 6.972 4.627 111.838 1 T 8.970e+05 0.00e+00 a 0 - - - >> 611 6.968 4.012 111.839 1 T 1.480e+06 0.00e+00 a 0 - - - >> 612 6.960 3.831 111.840 1 T 6.330e+05 0.00e+00 a 0 - - - >> 613 6.938 2.123 111.984 1 T 1.470e+06 0.00e+00 a 0 - - - >> 614 6.967 1.241 111.794 1 T 3.140e+06 0.00e+00 a 0 - - - >> 615 7.668 4.001 111.774 1 T 1.380e+06 0.00e+00 a 0 - - - >> 616 7.667 8.471 111.737 1 T 1.060e+06 0.00e+00 a 0 - - - >> 617 8.412 8.112 122.971 1 T 1.320e+06 0.00e+00 a 0 - - - >> 618 8.403 8.052 122.895 1 T 1.290e+06 0.00e+00 a 0 - - - >> 619 8.462 8.027 123.051 1 T 2.130e+06 0.00e+00 a 0 - - - >> 620 8.454 8.286 122.986 1 T 2.200e+06 0.00e+00 a 0 - - - >> 621 8.485 7.662 122.900 1 T 5.300e+05 0.00e+00 a 0 - - - >> 622 8.454 4.849 122.944 1 T 1.160e+06 0.00e+00 a 0 - - - >> 623 8.462 4.207 122.998 1 T 4.040e+06 0.00e+00 a 0 - - - >> 624 8.478 3.894 122.944 1 T 3.840e+06 0.00e+00 a 0 - - - >> 625 8.464 3.701 122.999 1 T 2.530e+06 0.00e+00 a 0 - - - >> 626 8.467 3.468 123.041 1 T 1.080e+06 0.00e+00 a 0 - - - >> 627 8.463 3.277 122.925 1 T 1.920e+06 0.00e+00 a 0 - - - >> 628 8.462 3.103 122.976 1 T 1.830e+06 0.00e+00 a 0 - - - >> 629 8.479 2.724 122.941 1 T 1.630e+06 0.00e+00 a 0 - - - >> 630 8.465 2.370 123.034 1 T 4.080e+06 0.00e+00 a 0 - - - >> 631 8.477 2.185 122.930 1 T 4.300e+06 0.00e+00 a 0 - - - >> 632 8.460 1.733 123.018 1 T 2.560e+06 0.00e+00 a 0 - - - >> 633 8.397 1.687 123.061 1 T 2.010e+06 0.00e+00 a 0 - - - >> 634 8.468 1.110 123.020 1 T 5.360e+06 0.00e+00 a 0 - - - >> 635 8.469 0.972 123.002 1 T 3.980e+06 0.00e+00 a 0 - - - >> 636 8.463 1.258 123.029 1 T 1.900e+06 0.00e+00 a 0 - - - >> 637 8.583 1.735 123.145 1 T 8.260e+05 0.00e+00 a 0 - - - >> 638 8.583 2.008 123.108 1 T 1.930e+06 0.00e+00 a 0 - - - >> 639 8.581 1.551 123.068 1 T 1.330e+06 0.00e+00 a 0 - - - >> 640 8.586 1.260 123.109 1 T 1.280e+06 0.00e+00 a 0 - - - >> 641 8.584 1.105 123.158 1 T 1.930e+06 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120.281 1 T 1.460e+06 0.00e+00 a 0 - - - >> 659 8.815 3.609 120.261 1 T 1.640e+06 0.00e+00 a 0 - - - >> 660 8.816 3.445 120.303 1 T 1.280e+06 0.00e+00 a 0 - - - >> 661 8.814 2.174 120.279 1 T 2.190e+06 0.00e+00 a 0 - - - >> 662 8.813 1.875 120.283 1 T 2.080e+06 0.00e+00 a 0 - - - >> 663 8.810 1.563 120.326 1 T 1.520e+06 0.00e+00 a 0 - - - >> 664 8.812 1.264 120.244 1 T 1.210e+06 0.00e+00 a 0 - - - >> 665 8.815 1.081 120.273 1 T 1.700e+06 0.00e+00 a 0 - - - >> 666 8.810 0.855 120.244 1 T 8.460e+05 0.00e+00 a 0 - - - >> 667 8.818 0.765 120.294 1 T 8.100e+05 0.00e+00 a 0 - - - >> 668 8.821 0.589 120.445 1 T 5.480e+05 0.00e+00 a 0 - - - >> 669 7.953 1.084 118.992 1 T 1.180e+06 0.00e+00 a 0 - - - >> 670 7.955 0.807 119.135 1 T 1.130e+06 0.00e+00 a 0 - - - >> 671 7.955 0.565 119.127 1 T 6.280e+05 0.00e+00 a 0 - - - >> 672 7.947 3.124 119.004 1 T 8.080e+05 0.00e+00 a 0 - - - >> 673 7.987 3.257 119.127 1 T 7.690e+05 0.00e+00 a 0 - - - >> 674 7.951 3.270 118.984 1 T 7.920e+05 0.00e+00 a 0 - - - 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120.447 1 T 6.960e+05 0.00e+00 a 0 - - - >> 709 8.273 0.982 122.178 1 T 5.770e+05 0.00e+00 a 0 - - - >> 710 8.277 1.147 122.108 1 T 8.900e+05 0.00e+00 a 0 - - - >> 711 8.267 1.433 122.062 1 T 1.100e+06 0.00e+00 a 0 - - - >> 712 8.270 1.558 121.999 1 T 1.370e+06 0.00e+00 a 0 - - - >> 713 8.271 2.007 122.130 1 T 2.140e+06 0.00e+00 a 0 - - - >> 714 8.272 2.221 122.134 1 T 7.210e+06 0.00e+00 a 0 - - - >> 715 8.272 2.468 122.178 1 T 2.120e+06 0.00e+00 a 0 - - - >> 716 8.271 4.222 122.200 1 T 1.850e+06 0.00e+00 a 0 - - - >> 717 8.268 4.089 121.994 1 T 3.980e+06 0.00e+00 a 0 - - - >> 718 8.273 7.964 122.218 1 T 7.190e+05 0.00e+00 a 0 - - - >> 719 8.274 8.672 122.181 1 T 1.830e+06 0.00e+00 a 0 - - - >> 720 8.272 8.418 122.164 1 T 2.020e+06 0.00e+00 a 0 - - - >> 721 8.606 0.545 115.864 1 T 4.860e+05 0.00e+00 a 0 - - - >> 722 8.604 0.842 115.822 1 T 2.710e+06 0.00e+00 a 0 - - - >> 723 8.605 1.436 115.824 1 T 2.310e+06 0.00e+00 a 0 - - - >> 724 8.604 2.003 115.773 1 T 8.830e+05 0.00e+00 a 0 - - - 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123.734 1 T 1.780e+06 0.00e+00 a 0 - - - >> 759 8.102 8.598 123.709 1 T 6.080e+05 0.00e+00 a 0 - - - >> 760 8.306 1.689 119.964 1 T 2.210e+06 0.00e+00 a 0 - - - >> 761 7.987 0.947 119.385 1 T 2.460e+06 0.00e+00 a 0 - - - >> 762 7.986 2.091 119.548 1 T 8.130e+06 0.00e+00 a 0 - - - >> 763 7.987 3.931 119.517 1 T 4.550e+06 0.00e+00 a 0 - - - >> 764 7.990 4.480 119.450 1 T 1.140e+06 0.00e+00 a 0 - - - >> 765 7.986 8.304 119.524 1 T 2.080e+06 0.00e+00 a 0 - - - >> 766 7.807 8.299 122.129 1 T 1.930e+06 0.00e+00 a 0 - - - >> 767 7.805 7.982 122.198 1 T 1.740e+06 0.00e+00 a 0 - - - >> 768 7.812 4.795 122.078 1 T 6.360e+05 0.00e+00 a 0 - - - >> 769 7.808 3.952 122.142 1 T 4.560e+06 0.00e+00 a 0 - - - >> 770 7.805 2.244 122.105 1 T 1.840e+06 0.00e+00 a 0 - - - >> 771 7.806 2.096 122.136 1 T 3.250e+06 0.00e+00 a 0 - - - >> 772 7.806 1.635 122.157 1 T 2.900e+06 0.00e+00 a 0 - - - >> 773 7.806 1.505 122.107 1 T 2.720e+06 0.00e+00 a 0 - - - >> 774 7.808 1.325 122.158 1 T 1.410e+06 0.00e+00 a 0 - - - 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119.241 1 T 2.870e+06 0.00e+00 a 0 - - - >> 859 7.680 3.397 119.169 1 T 2.970e+06 0.00e+00 a 0 - - - >> 860 7.696 4.860 119.091 1 T 5.140e+05 0.00e+00 a 0 - - - >> 861 7.678 6.714 119.082 1 T 1.210e+06 0.00e+00 a 0 - - - >> 862 7.679 6.984 119.082 1 T 2.050e+06 0.00e+00 a 0 - - - >> 863 7.608 8.029 118.959 1 T 3.970e+05 0.00e+00 a 0 - - - >> 864 7.681 7.965 119.175 1 T 6.400e+05 0.00e+00 a 0 - - - >> 865 7.679 8.397 119.164 1 T 3.210e+06 0.00e+00 a 0 - - - >> 866 8.402 7.988 116.840 1 T 9.340e+05 0.00e+00 a 0 - - - >> 867 8.402 7.680 116.784 1 T 9.490e+05 0.00e+00 a 0 - - - >> 868 8.406 6.979 116.831 1 T 1.020e+06 0.00e+00 a 0 - - - >> 869 8.395 6.730 116.858 1 T 5.360e+05 0.00e+00 a 0 - - - >> 870 8.402 4.190 116.905 1 T 7.480e+05 0.00e+00 a 0 - - - >> 871 8.409 3.884 116.973 1 T 9.380e+05 0.00e+00 a 0 - - - >> 872 8.401 3.402 116.778 1 T 1.180e+06 0.00e+00 a 0 - - - >> 873 8.402 2.883 116.844 1 T 8.900e+05 0.00e+00 a 0 - - - >> 874 8.408 1.483 116.834 1 T 1.210e+06 0.00e+00 a 0 - - - 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9.530e+05 0.00e+00 a 0 - - - >> 892 6.766 7.094 121.497 1 T 6.610e+05 0.00e+00 a 0 - - - >> 893 6.772 4.216 121.415 1 T 1.600e+06 0.00e+00 a 0 - - - >> 894 6.773 3.935 121.327 1 T 6.210e+05 0.00e+00 a 0 - - - >> 895 6.773 1.326 121.439 1 T 2.340e+06 0.00e+00 a 0 - - - >> 896 7.087 1.325 113.200 1 T 1.900e+06 0.00e+00 a 0 - - - >> 897 7.087 1.974 113.369 1 T 5.070e+05 0.00e+00 a 0 - - - >> 898 7.086 4.157 113.182 1 T 2.050e+06 0.00e+00 a 0 - - - >> 899 7.085 3.710 113.200 1 T 9.370e+05 0.00e+00 a 0 - - - >> 900 7.084 3.430 113.206 1 T 2.520e+06 0.00e+00 a 0 - - - >> 901 7.087 3.366 113.178 1 T 2.530e+06 0.00e+00 a 0 - - - >> 902 6.896 7.539 112.936 1 T 3.140e+07 0.00e+00 a 0 - - - >> 903 6.898 4.850 112.949 1 T 4.710e+06 0.00e+00 a 0 - - - >> 904 6.894 3.015 112.982 1 T 4.850e+05 0.00e+00 a 0 - - - >> 905 6.894 2.874 113.055 1 T 5.110e+05 0.00e+00 a 0 - - - >> 906 7.546 4.358 113.046 1 T 5.480e+05 0.00e+00 a 0 - - - >> 907 7.718 8.320 116.117 1 T 5.700e+05 0.00e+00 a 0 - - - >> 908 7.726 4.601 115.972 1 T 8.780e+05 0.00e+00 a 0 - - - >> 909 7.715 2.112 116.004 1 T 7.740e+05 0.00e+00 a 0 - - - >> 910 7.599 0.976 117.613 1 T 1.030e+06 0.00e+00 a 0 - - - >> 911 7.604 1.467 117.587 1 T 1.670e+06 0.00e+00 a 0 - - - >> 912 7.605 3.439 117.665 1 T 6.910e+05 0.00e+00 a 0 - - - >> 913 7.598 4.339 117.626 1 T 9.010e+05 0.00e+00 a 0 - - - >> 914 8.920 8.542 131.187 1 T 4.960e+05 0.00e+00 a 0 - - - >> 915 8.920 4.341 131.177 1 T 1.700e+06 0.00e+00 a 0 - - - >> 916 8.925 3.611 131.176 1 T 4.860e+05 0.00e+00 a 0 - - - >> 917 8.914 1.431 131.067 1 T 5.750e+05 0.00e+00 a 0 - - - >> 918 8.917 0.985 131.185 1 T 8.980e+05 0.00e+00 a 0 - - - >> 919 8.918 0.725 131.158 1 T 1.330e+06 0.00e+00 a 0 - - - >> 920 8.914 0.195 131.181 1 T 4.890e+05 0.00e+00 a 0 - - - >> 921 8.917 -0.024 131.212 1 T 5.000e+05 0.00e+00 a 0 - - - >> 922 8.920 -0.272 131.147 1 T 5.690e+05 0.00e+00 a 0 - - - >> 923 8.535 5.132 113.761 1 T 8.250e+05 0.00e+00 a 0 - - - >> 924 8.534 7.171 113.654 1 T 1.260e+06 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117.964 1 T 5.590e+05 0.00e+00 a 0 - - - >> 942 8.573 5.123 117.843 1 T 6.180e+05 0.00e+00 a 0 - - - >> 943 8.578 2.837 117.941 1 T 3.620e+06 0.00e+00 a 0 - - - >> 944 8.578 2.735 117.923 1 T 3.230e+06 0.00e+00 a 0 - - - >> 945 8.577 1.934 117.970 1 T 3.350e+06 0.00e+00 a 0 - - - >> 946 8.579 1.643 117.974 1 T 1.280e+06 0.00e+00 a 0 - - - >> 947 8.578 1.463 117.936 1 T 1.140e+06 0.00e+00 a 0 - - - >> 948 8.581 0.766 117.863 1 T 6.590e+05 0.00e+00 a 0 - - - >> 949 9.081 8.488 121.262 1 T 2.000e+06 0.00e+00 a 0 - - - >> 950 9.082 7.662 121.309 1 T 1.680e+06 0.00e+00 a 0 - - - >> 951 9.078 7.245 121.254 1 T 7.300e+05 0.00e+00 a 0 - - - >> 952 9.077 5.127 121.305 1 T 5.710e+05 0.00e+00 a 0 - - - >> 953 9.087 4.816 121.377 1 T 5.520e+05 0.00e+00 a 0 - - - >> 954 9.081 4.611 121.282 1 T 2.230e+06 0.00e+00 a 0 - - - >> 955 9.086 4.206 121.293 1 T 5.480e+05 0.00e+00 a 0 - - - >> 956 9.083 3.893 121.302 1 T 1.650e+06 0.00e+00 a 0 - - - >> 957 9.080 3.482 121.274 1 T 7.390e+05 0.00e+00 a 0 - - - 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112.526 1 T 6.980e+05 0.00e+00 a 0 - - - >> 992 8.115 7.257 112.523 1 T 3.700e+06 0.00e+00 a 0 - - - >> 993 8.122 5.714 112.466 1 T 5.330e+05 0.00e+00 a 0 - - - >> 994 8.114 4.847 112.598 1 T 7.930e+05 0.00e+00 a 0 - - - >> 995 8.120 4.569 112.584 1 T 9.110e+05 0.00e+00 a 0 - - - >> 996 8.122 4.210 112.511 1 T 1.580e+06 0.00e+00 a 0 - - - >> 997 8.112 3.939 112.525 1 T 1.460e+06 0.00e+00 a 0 - - - >> 998 8.121 3.788 112.553 1 T 4.270e+06 0.00e+00 a 0 - - - >> 999 8.125 3.467 112.583 1 T 1.380e+06 0.00e+00 a 0 - - - >>1000 8.111 3.113 112.597 1 T 1.600e+06 0.00e+00 a 0 - - - >>1001 8.171 2.316 112.467 1 T 4.250e+05 0.00e+00 a 0 - - - >>1002 8.122 1.256 112.473 1 T 6.400e+05 0.00e+00 a 0 - - - >>1003 8.118 0.790 112.485 1 T 1.640e+06 0.00e+00 a 0 - - - >>1004 8.122 1.576 112.507 1 T 1.200e+06 0.00e+00 a 0 - - - >>1005 8.442 2.736 121.961 1 T 2.770e+06 0.00e+00 a 0 - - - >>1006 8.440 2.973 122.006 1 T 3.060e+06 0.00e+00 a 0 - - - >>1007 8.440 3.791 121.994 1 T 2.110e+06 0.00e+00 a 0 - - - 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10.024 1.816 127.988 1 T 4.970e+05 0.00e+00 a 0 - - - >>1475 10.029 0.907 128.023 1 T 1.100e+06 0.00e+00 a 0 - - - >>1476 9.079 7.911 121.195 1 T 1.130e+06 0.00e+00 a 0 - - - >>1477 7.662 8.466 121.036 1 T 4.340e+05 0.00e+00 a 0 - - - >>1478 7.955 7.257 119.701 1 T 5.780e+05 0.00e+00 a 0 - - - >>1479 9.056 1.122 118.458 1 T 7.350e+05 0.00e+00 a 0 - - - >>1480 8.118 2.316 112.436 1 T 1.030e+06 0.00e+00 a 0 - - - >>1481 8.538 7.190 121.884 1 T 4.940e+05 0.00e+00 a 0 - - - >>1482 7.410 4.200 112.032 1 T 5.300e+05 0.00e+00 a 0 - - - >>1483 7.404 3.955 112.180 1 T 5.030e+05 0.00e+00 a 0 - - - >>1484 10.026 6.809 128.021 1 T 7.620e+05 0.00e+00 a 0 - - - >>1485 10.021 7.540 128.183 1 T 5.820e+05 0.00e+00 a 0 - - - >>1486 8.488 8.227 120.881 1 T 7.000e+05 0.00e+00 a 0 - - - >>1487 8.498 2.797 120.929 1 T 5.840e+05 0.00e+00 a 0 - - - >>1488 6.860 6.047 111.545 1 T 5.690e+05 0.00e+00 a 0 - - - >>1489 7.849 8.631 121.091 1 T 4.860e+05 0.00e+00 a 0 - - - >>1490 7.846 3.453 120.905 1 T 1.180e+06 0.00e+00 a 0 - - - >>1491 7.846 0.803 120.979 1 T 1.670e+06 0.00e+00 a 0 - - - >>1492 8.884 5.903 118.309 1 T 6.430e+05 0.00e+00 a 0 - - - >>1493 8.876 6.109 118.382 1 T 4.110e+05 0.00e+00 a 0 - - - >>1494 7.516 7.351 117.469 1 T 5.860e+05 0.00e+00 a 0 - - - >>1495 7.517 2.961 117.293 1 T 1.570e+06 0.00e+00 a 0 - - - >>1496 7.512 1.907 117.269 1 T 5.760e+05 0.00e+00 a 0 - - - >>1497 7.512 7.867 117.476 1 T 5.330e+05 0.00e+00 a 0 - - - >>1498 7.674 8.757 119.496 1 T 6.860e+05 0.00e+00 a 0 - - - >>1499 8.143 9.280 119.566 1 T 6.050e+05 0.00e+00 a 0 - - - >>1500 8.146 7.094 119.496 1 T 4.800e+05 0.00e+00 a 0 - - - >>1501 8.159 5.832 119.496 1 T 3.930e+05 0.00e+00 a 0 - - - >>1502 8.254 1.418 121.585 1 T 1.070e+06 0.00e+00 a 0 - - - >>1503 8.900 3.147 121.881 1 T 5.990e+05 0.00e+00 a 0 - - - >>1504 8.755 1.693 123.080 1 T 6.860e+05 0.00e+00 a 0 - - - >>1505 8.751 3.414 123.248 1 T 6.330e+05 0.00e+00 a 0 - - - >>1506 8.756 4.111 122.923 1 T 8.730e+05 0.00e+00 a 0 - - - >>1507 8.747 4.774 123.207 1 T 8.980e+05 0.00e+00 a 0 - - - >>1508 8.753 8.167 123.234 1 T 9.350e+05 0.00e+00 a 0 - - - >>1509 8.751 8.436 123.068 1 T 2.000e+06 0.00e+00 a 0 - - - >>1510 8.755 8.895 123.140 1 T 1.760e+06 0.00e+00 a 0 - - - >>1511 8.442 7.820 120.685 1 T 7.530e+05 0.00e+00 a 0 - - - >>1512 8.396 1.845 118.650 1 T 9.690e+05 0.00e+00 a 0 - - - >>1513 6.937 1.807 111.997 1 T 5.540e+05 0.00e+00 a 0 - - - >>1514 6.937 0.912 112.003 1 T 7.990e+05 0.00e+00 a 0 - - - >>1515 7.558 0.919 112.026 1 T 7.000e+05 0.00e+00 a 0 - - - >>1516 7.558 1.823 111.953 1 T 5.970e+05 0.00e+00 a 0 - - - >>1517 7.548 7.202 111.932 1 T 9.580e+05 0.00e+00 a 0 - - - >>1518 7.651 2.513 116.440 1 T 6.430e+05 0.00e+00 a 0 - - - >>1519 7.647 0.963 116.324 1 T 4.730e+05 0.00e+00 a 0 - - - >>1520 7.653 7.011 116.456 1 T 6.280e+05 0.00e+00 a 0 - - - >>1521 7.429 3.754 120.201 1 T 4.930e+05 0.00e+00 a 0 - - - >>1522 7.953 3.075 121.319 1 T 4.880e+05 0.00e+00 a 0 - - - >>1523 8.453 2.984 118.868 1 T 6.940e+05 0.00e+00 a 0 - - - >>1524 7.929 2.268 122.173 1 T 1.340e+06 0.00e+00 a 0 - - - >>1525 8.154 2.006 120.183 1 T 7.540e+06 0.00e+00 a 0 - - - >>1526 8.152 0.900 120.131 1 T 9.110e+06 0.00e+00 a 0 - - - >>1527 7.759 3.239 118.362 1 T 7.950e+05 0.00e+00 a 0 - - - >>1528 7.765 2.041 118.337 1 T 1.110e+06 0.00e+00 a 0 - - - >>1529 7.993 4.876 120.397 1 T 5.710e+05 0.00e+00 a 0 - - - >>1530 7.991 3.254 120.255 1 T 1.560e+06 0.00e+00 a 0 - - - >>1531 7.996 3.419 120.289 1 T 1.270e+06 0.00e+00 a 0 - - - >>1532 8.289 8.125 115.503 1 T 3.130e+06 0.00e+00 a 0 - - - >>1533 8.288 4.424 115.519 1 T 8.990e+05 0.00e+00 a 0 - - - >>1534 8.287 4.234 115.530 1 T 2.920e+06 0.00e+00 a 0 - - - >>1535 8.290 3.910 115.527 1 T 2.840e+06 0.00e+00 a 0 - - - >>1536 8.287 3.593 115.433 1 T 9.340e+05 0.00e+00 a 0 - - - >>1537 8.606 2.008 105.828 1 T 9.020e+05 0.00e+00 a 0 - - - >>1538 7.255 0.419 110.761 1 T 5.020e+05 0.00e+00 a 0 - - - >>1539 8.464 6.976 122.912 1 T 5.370e+05 0.00e+00 a 0 - - - >>1540 7.667 8.608 118.522 1 T 1.280e+06 0.00e+00 a 0 - - - >>1541 7.667 7.206 118.538 1 T 1.810e+06 0.00e+00 a 0 - - - >>1542 7.021 2.468 120.736 1 T 7.610e+05 0.00e+00 a 0 - - - >>1543 8.770 1.351 120.376 1 T 1.540e+06 0.00e+00 a 0 - - - >>1544 8.769 4.867 120.311 1 T 4.730e+05 0.00e+00 a 0 - - - >>1545 7.091 4.860 115.962 1 T 6.170e+05 0.00e+00 a 0 - - - >>1546 8.364 10.697 116.664 1 T 8.930e+05 0.00e+00 a 0 - - - >>1547 8.364 9.039 116.695 1 T 1.140e+06 0.00e+00 a 0 - - - >>1548 8.357 7.074 116.659 1 T 4.990e+05 0.00e+00 a 0 - - - >>1549 8.367 3.987 116.744 1 T 5.040e+05 0.00e+00 a 0 - - - >>1550 8.366 2.644 116.642 1 T 4.910e+05 0.00e+00 a 0 - - - >>1551 8.370 2.121 116.761 1 T 5.220e+05 0.00e+00 a 0 - - - >>1552 10.702 1.570 121.222 1 T 1.350e+06 0.00e+00 a 0 - - - >>1553 10.700 2.320 121.200 1 T 4.810e+05 0.00e+00 a 0 - - - >>1554 8.940 1.533 119.441 1 T 5.130e+05 0.00e+00 a 0 - - - >>1555 8.951 4.833 119.412 1 T 4.790e+05 0.00e+00 a 0 - - - >>1556 8.704 7.255 119.282 1 T 6.040e+05 0.00e+00 a 0 - - - >>1557 8.708 4.870 119.385 1 T 5.870e+05 0.00e+00 a 0 - - - >>1558 8.701 2.977 119.260 1 T 2.310e+06 0.00e+00 a 0 - - - >>1559 7.274 8.725 120.858 1 T 4.820e+05 0.00e+00 a 0 - - - >>1560 7.270 5.153 120.814 1 T 4.030e+05 0.00e+00 a 0 - - - >>1561 7.268 4.264 120.787 1 T 4.810e+05 0.00e+00 a 0 - - - >>1562 7.275 4.610 121.131 1 T 5.050e+05 0.00e+00 a 0 - - - >>1563 7.269 1.476 120.904 1 T 5.480e+05 0.00e+00 a 0 - - - >>1564 7.968 3.006 105.167 1 T 5.380e+05 0.00e+00 a 0 - - - >>1565 7.962 7.737 105.010 1 T 6.670e+05 0.00e+00 a 0 - - - >>1566 8.372 6.958 120.751 1 T 7.030e+05 0.00e+00 a 0 - - - >>1567 8.371 4.106 120.727 1 T 1.950e+06 0.00e+00 a 0 - - - >>1568 8.372 3.472 120.658 1 T 1.080e+06 0.00e+00 a 0 - - - >>1569 8.761 0.346 121.790 1 T 7.600e+05 0.00e+00 a 0 - - - >>1570 8.513 3.901 118.434 1 T 1.370e+06 0.00e+00 a 0 - - - >>1571 7.948 3.160 118.360 1 T 7.280e+05 0.00e+00 a 0 - - - >>1572 7.604 7.114 108.363 1 T 4.230e+05 0.00e+00 a 0 - - - >>1573 7.991 4.845 119.137 1 T 7.330e+05 0.00e+00 a 0 - - - >>1574 6.796 1.702 110.723 1 T 1.130e+06 0.00e+00 a 0 - - - >>1575 7.593 1.877 110.382 1 T 9.000e+05 0.00e+00 a 0 - - - >>1576 7.591 1.574 110.185 1 T 6.550e+05 0.00e+00 a 0 - - - >>1577 8.217 8.081 108.410 1 T 4.980e+05 0.00e+00 a 0 - - - >>1578 8.204 4.526 116.879 1 T 8.570e+05 0.00e+00 a 0 - - - >>1579 8.192 1.817 116.945 1 T 8.910e+05 0.00e+00 a 0 - - - >>1580 8.998 3.118 119.006 1 T 4.460e+05 0.00e+00 a 0 - - - >>1581 9.001 0.891 119.310 1 T 1.610e+06 0.00e+00 a 0 - - - >>1582 8.276 4.412 119.212 1 T 9.120e+05 0.00e+00 a 0 - - - >>1583 8.769 0.886 118.438 1 T 1.100e+06 0.00e+00 a 0 - - - >>1584 8.769 1.245 118.452 1 T 2.310e+06 0.00e+00 a 0 - - - >>1585 8.775 8.022 118.604 1 T 6.300e+05 0.00e+00 a 0 - - - >>1586 8.030 4.836 125.027 1 T 4.700e+05 0.00e+00 a 0 - - - >>1587 8.026 7.722 124.958 1 T 4.140e+05 0.00e+00 a 0 - - - >>1588 8.586 7.982 123.028 1 T 6.540e+05 0.00e+00 a 0 - - - >>1589 8.812 2.366 120.195 1 T 6.040e+05 0.00e+00 a 0 - - - >>1590 8.189 8.677 118.988 1 T 1.560e+06 0.00e+00 a 0 - - - >>1591 8.189 7.961 119.021 1 T 2.590e+06 0.00e+00 a 0 - - - >>1592 8.684 8.431 120.644 1 T 8.380e+05 0.00e+00 a 0 - - - >>1593 8.683 3.595 120.497 1 T 5.610e+05 0.00e+00 a 0 - - - >>1594 8.682 1.560 120.499 1 T 1.330e+06 0.00e+00 a 0 - - - >>1595 8.270 0.811 122.089 1 T 7.450e+05 0.00e+00 a 0 - - - >>1596 8.272 3.944 122.132 1 T 1.650e+06 0.00e+00 a 0 - - - >>1597 8.461 4.044 123.040 1 T 3.060e+06 0.00e+00 a 0 - - - >>1598 8.473 2.880 122.747 1 T 3.180e+06 0.00e+00 a 0 - - - >>1599 6.443 7.296 110.363 1 T 5.530e+05 0.00e+00 a 0 - - - >>1600 8.135 1.444 105.619 1 T 7.550e+05 0.00e+00 a 0 - - - >>1601 8.127 0.988 105.648 1 T 3.860e+05 0.00e+00 a 0 - - - >>1602 7.977 7.252 119.381 1 T 7.670e+05 0.00e+00 a 0 - - - >>1603 8.299 2.232 115.924 1 T 1.160e+06 0.00e+00 a 0 - - - >>1604 7.353 2.712 120.438 1 T 5.360e+05 0.00e+00 a 0 - - - >>1605 7.356 4.824 120.528 1 T 1.490e+06 0.00e+00 a 0 - - - >>1606 7.810 2.873 113.212 1 T 2.430e+06 0.00e+00 a 0 - - - >>1607 7.769 2.863 113.157 1 T 3.300e+06 0.00e+00 a 0 - - - >>1608 8.236 7.134 119.539 1 T 6.170e+05 0.00e+00 a 0 - - - >>1609 8.111 3.329 112.651 1 T 7.170e+05 0.00e+00 a 0 - - - >>1610 8.072 -0.085 120.053 1 T 5.520e+05 0.00e+00 a 0 - - - >>1611 8.063 1.293 119.994 1 T 1.360e+06 0.00e+00 a 0 - - - >>1612 8.305 5.517 118.042 1 T 5.410e+05 0.00e+00 a 0 - - - >>1613 8.401 3.714 122.767 1 T 8.220e+05 0.00e+00 a 0 - - - >>1614 7.681 1.068 119.345 1 T 4.760e+05 0.00e+00 a 0 - - - >>1615 7.978 3.407 114.384 1 T 4.910e+05 0.00e+00 a 0 - - - >>1616 7.981 1.503 114.497 1 T 5.620e+05 0.00e+00 a 0 - - - >>1617 7.981 -0.091 114.352 1 T 4.120e+05 0.00e+00 a 0 - - - >>1618 6.775 7.993 121.369 1 T 5.480e+05 0.00e+00 a 0 - - - >>1619 7.083 6.771 113.184 1 T 1.320e+06 0.00e+00 a 0 - - - >>1620 7.548 4.252 112.712 1 T 6.940e+05 0.00e+00 a 0 - - - >>1621 7.602 8.335 117.431 1 T 7.370e+05 0.00e+00 a 0 - - - >>1622 7.600 4.118 117.363 1 T 4.570e+05 0.00e+00 a 0 - - - >>1623 7.601 1.634 117.515 1 T 1.860e+06 0.00e+00 a 0 - - - >>1624 7.615 1.910 117.474 1 T 9.590e+05 0.00e+00 a 0 - - - >>1625 7.601 0.780 117.469 1 T 1.320e+06 0.00e+00 a 0 - - - >>1626 8.534 6.936 113.567 1 T 1.350e+06 0.00e+00 a 0 - - - >>1627 8.532 2.646 113.418 1 T 1.620e+06 0.00e+00 a 0 - - - >>1628 8.534 1.959 113.539 1 T 6.980e+05 0.00e+00 a 0 - - - >>1629 8.538 0.987 113.572 1 T 1.460e+06 0.00e+00 a 0 - - - >>1630 8.526 0.703 113.416 1 T 1.530e+06 0.00e+00 a 0 - - - >>1631 6.957 5.141 119.360 1 T 9.750e+05 0.00e+00 a 0 - - - >>1632 8.580 3.892 118.005 1 T 2.030e+06 0.00e+00 a 0 - - - >>1633 8.575 2.185 117.996 1 T 1.390e+06 0.00e+00 a 0 - - - >>1634 8.579 1.123 118.010 1 T 7.840e+05 0.00e+00 a 0 - - - >>1635 8.578 0.977 118.049 1 T 1.360e+06 0.00e+00 a 0 - - - >>1636 8.416 8.591 123.032 1 T 2.560e+06 0.00e+00 a 0 - - - >>1637 9.080 2.961 121.276 1 T 2.720e+06 0.00e+00 a 0 - - - >>1638 9.077 2.731 121.466 1 T 7.340e+05 0.00e+00 a 0 - - - >>1639 9.077 1.816 121.101 1 T 7.580e+05 0.00e+00 a 0 - - - >>1640 9.087 0.776 121.182 1 T 7.340e+05 0.00e+00 a 0 - - - >>1641 9.053 1.004 118.437 1 T 9.610e+05 0.00e+00 a 0 - - - >>1642 8.691 8.140 119.173 1 T 5.200e+05 0.00e+00 a 0 - - - >>1643 7.072 3.760 116.514 1 T 8.300e+05 0.00e+00 a 0 - - - >>1644 7.063 3.295 116.882 1 T 6.090e+05 0.00e+00 a 0 - - - >>1645 7.064 0.875 116.570 1 T 4.960e+05 0.00e+00 a 0 - - - >>1646 8.346 1.109 119.457 1 T 1.000e+06 0.00e+00 a 0 - - - >>1647 8.349 8.500 119.281 1 T 1.400e+06 0.00e+00 a 0 - - - >>1648 8.523 8.037 113.399 1 T 5.650e+05 0.00e+00 a 0 - - - >>1649 8.519 6.877 112.975 1 T 2.020e+06 0.00e+00 a 0 - - - >>1650 8.519 4.069 113.085 1 T 8.280e+05 0.00e+00 a 0 - - - >>1651 6.855 4.794 121.655 1 T 4.060e+05 0.00e+00 a 0 - - - >>1652 7.317 2.133 118.194 1 T 7.910e+05 0.00e+00 a 0 - - - >>1653 7.985 1.077 119.248 1 T 1.500e+06 0.00e+00 a 0 - - - >>1654 6.822 2.965 111.324 1 T 5.470e+05 0.00e+00 a 0 - - - >>1655 7.285 7.977 111.170 1 T 5.240e+05 0.00e+00 a 0 - - - >>1656 8.641 2.473 117.330 1 T 1.210e+06 0.00e+00 a 0 - - - >>1657 8.646 4.509 117.199 1 T 5.580e+05 0.00e+00 a 0 - - - >>1658 8.643 7.402 117.290 1 T 9.220e+05 0.00e+00 a 0 - - - >>1659 8.647 8.174 117.265 1 T 1.210e+06 0.00e+00 a 0 - - - >>1660 7.398 1.817 113.521 1 T 5.660e+05 0.00e+00 a 0 - - - >>1661 7.352 0.736 111.224 1 T 5.240e+05 0.00e+00 a 0 - - - >>1662 7.512 1.908 115.355 1 T 8.100e+05 0.00e+00 a 0 - - - >>1663 7.523 3.231 115.399 1 T 4.940e+05 0.00e+00 a 0 - - - >>1664 7.856 7.514 120.134 1 T 1.600e+06 0.00e+00 a 0 - - - >>1665 6.721 0.890 111.572 1 T 7.400e+05 0.00e+00 a 0 - - - >>1666 6.720 1.896 112.094 1 T 4.430e+05 0.00e+00 a 0 - - - >>1667 6.714 6.459 111.855 1 T 1.030e+06 0.00e+00 a 0 - - - >>1668 7.404 0.901 111.909 1 T 6.090e+05 0.00e+00 a 0 - - - >>1669 8.493 8.867 120.883 1 T 4.880e+05 0.00e+00 a 0 - - - >>1670 7.928 7.064 119.076 1 T 5.020e+05 0.00e+00 a 0 - - - >>1671 6.864 6.339 111.596 1 T 6.790e+05 0.00e+00 a 0 - - - >>1672 7.679 3.852 111.735 1 T 5.670e+05 0.00e+00 a 0 - - - >>1673 7.854 5.918 121.027 1 T 4.170e+05 0.00e+00 a 0 - - - >>1674 7.849 6.895 121.198 1 T 4.880e+05 0.00e+00 a 0 - - - >>1675 7.582 3.767 114.050 1 T 4.600e+05 0.00e+00 a 0 - - - >>1676 7.583 4.126 114.036 1 T 3.650e+05 0.00e+00 a 0 - - - >>1677 7.583 6.790 114.228 1 T 5.280e+05 0.00e+00 a 0 - - - >>1678 7.584 6.893 114.009 1 T 1.230e+06 0.00e+00 a 0 - - - >>1679 7.597 10.142 114.275 1 T 5.110e+05 0.00e+00 a 0 - - - >>1680 7.672 8.612 119.778 1 T 4.060e+05 0.00e+00 a 0 - - - >>1681 8.774 2.129 122.100 1 T 2.160e+06 0.00e+00 a 0 - - - >>1682 8.248 9.330 121.521 1 T 6.300e+05 0.00e+00 a 0 - - - >>1683 8.253 8.769 121.439 1 T 1.080e+06 0.00e+00 a 0 - - - >>1684 8.254 7.446 121.632 1 T 4.570e+05 0.00e+00 a 0 - - - >>1685 8.242 4.769 121.412 1 T 6.080e+05 0.00e+00 a 0 - - - >>1686 8.905 4.466 121.854 1 T 4.620e+05 0.00e+00 a 0 - - - >>1687 8.896 9.299 121.964 1 T 5.700e+05 0.00e+00 a 0 - - - >>1688 8.902 10.713 121.865 1 T 5.340e+05 0.00e+00 a 0 - - - >>1689 8.166 7.324 120.372 1 T 5.630e+05 0.00e+00 a 0 - - - >>1690 7.561 4.262 112.093 1 T 1.020e+06 0.00e+00 a 0 - - - >>1691 7.555 6.708 112.054 1 T 9.980e+05 0.00e+00 a 0 - - - >>1692 7.654 4.091 116.230 1 T 6.420e+05 0.00e+00 a 0 - - - >>1693 7.646 1.511 116.495 1 T 5.120e+05 0.00e+00 a 0 - - - >>1694 7.954 3.786 121.208 1 T 5.760e+05 0.00e+00 a 0 - - - >>1695 7.949 3.459 121.414 1 T 3.910e+05 0.00e+00 a 0 - - - >>1696 7.947 -0.066 121.492 1 T 4.730e+05 0.00e+00 a 0 - - - >>1697 8.024 3.148 126.996 1 T 4.490e+05 0.00e+00 a 0 - - - >>1698 8.365 4.215 116.736 1 T 4.960e+05 0.00e+00 a 0 - - - >>1699 9.306 6.880 111.464 1 T 7.470e+05 0.00e+00 a 0 - - - >>1700 6.886 9.303 111.323 1 T 7.580e+05 0.00e+00 a 0 - - - >>1701 9.307 2.770 111.419 1 T 7.240e+05 0.00e+00 a 0 - - - >>1702 9.307 4.022 111.422 1 T 4.590e+05 0.00e+00 a 0 - - - >>1703 6.881 2.777 111.374 1 T 7.620e+05 0.00e+00 a 0 - - - >>1704 6.879 4.011 111.418 1 T 5.680e+05 0.00e+00 a 0 - - - >>1705 5.672 7.947 106.259 1 T 6.750e+05 0.00e+00 a 0 - - - >>1706 9.305 4.867 111.539 1 T 4.810e+05 0.00e+00 a 0 - - - >>1707 7.551 3.780 111.375 1 T 5.760e+05 0.00e+00 a 0 - - - >>1708 7.552 3.169 111.485 1 T 5.540e+05 0.00e+00 a 0 - - - >>1709 7.554 3.370 111.338 1 T 4.850e+05 0.00e+00 a 0 - - - >>1710 7.549 1.948 111.507 1 T 4.910e+05 0.00e+00 a 0 - - - >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 H . . 18.023 ppm . . . 4.855 . . 34528 1 >> 2 . . H 1 H . . 11.992 ppm . . . 4.855 . . 34528 1 >> 3 . . N 15 N . . 29.502 ppm . . . 117.65 . . 34528 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 2 H H 3 13C C-aliphatic stop_ _Sample_label $sample_2 _Sample_conditions_label $sample_conditions_2 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_2 >> _Spectral_peak_list.Entry_ID 34528 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $sample_2 >> _Spectral_peak_list.Sample_condition_list_ID 2 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 >> _Spectral_peak_list.Chem_shift_reference_ID 1 >> _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 >> _Spectral_peak_list.Experiment_ID 10 >> _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 1 >> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 3 >>#FORMAT xeasy3D >>#INAME 1 HC >>#INAME 2 H >>#INAME 3 C >>#SPECTRUM C13NOESY HC H C >> 1 4.566 1.704 55.543 1 T 1.750e+06 0.00e+00 a 0 - - - >> 2 4.552 2.472 55.384 1 T 9.940e+05 0.00e+00 a 0 - - - >> 3 4.571 2.318 55.530 1 T 2.010e+06 0.00e+00 a 0 - - - >> 4 4.566 2.215 55.415 1 T 1.910e+06 0.00e+00 a 0 - - - >> 5 4.553 2.023 55.545 1 T 2.930e+06 0.00e+00 a 0 - - - >> 6 4.567 2.752 55.442 1 T 1.410e+07 0.00e+00 a 0 - - - >> 7 4.564 3.265 55.521 1 T 3.870e+06 0.00e+00 a 0 - - - >> 8 4.549 3.470 55.489 1 T 2.400e+06 0.00e+00 a 0 - - - >> 9 4.559 3.979 55.471 1 T 1.420e+06 0.00e+00 a 0 - - - >> 10 4.568 4.264 55.457 1 T 1.630e+06 0.00e+00 a 0 - - - >> 11 2.834 1.065 37.897 1 T 1.310e+06 0.00e+00 a 0 - - - >> 12 2.835 1.726 37.875 1 T 1.040e+06 0.00e+00 a 0 - - - >> 13 2.837 2.044 37.863 1 T 2.040e+06 0.00e+00 a 0 - - - >> 14 2.834 2.949 37.881 1 T 1.430e+07 0.00e+00 a 0 - - - >> 15 2.833 4.570 37.857 1 T 4.430e+06 0.00e+00 a 0 - - - >> 16 2.955 2.055 37.919 1 T 1.810e+06 0.00e+00 a 0 - - - >> 17 2.956 1.862 37.980 1 T 6.810e+05 0.00e+00 a 0 - - - >> 18 2.960 2.337 37.828 1 T 9.550e+05 0.00e+00 a 0 - - - >> 19 2.957 2.842 37.896 1 T 1.350e+07 0.00e+00 a 0 - - - >> 20 2.963 1.044 37.914 1 T 1.000e+06 0.00e+00 a 0 - - - >> 21 2.955 4.571 37.849 1 T 4.400e+06 0.00e+00 a 0 - - - >> 22 4.094 1.256 58.150 1 T 3.280e+06 0.00e+00 a 0 - - - >> 23 4.073 2.251 58.199 1 T 1.350e+07 0.00e+00 a 0 - - - >> 24 1.739 0.981 41.793 1 T 6.830e+06 0.00e+00 a 0 - - - >> 25 1.736 4.089 41.786 1 T 3.870e+06 0.00e+00 a 0 - - - >> 26 1.749 3.957 41.855 1 T 1.400e+06 0.00e+00 a 0 - - - >> 27 0.989 1.340 25.350 1 T 4.550e+06 0.00e+00 a 0 - - - >> 28 0.984 1.496 25.376 1 T 1.250e+07 0.00e+00 a 0 - - - >> 29 0.975 1.772 25.419 1 T 3.160e+07 0.00e+00 a 0 - - - >> 30 0.971 2.060 25.432 1 T 1.160e+07 0.00e+00 a 0 - - - >> 31 0.971 2.248 25.418 1 T 6.690e+06 0.00e+00 a 0 - - - >> 32 0.975 2.744 25.427 1 T 1.630e+06 0.00e+00 a 0 - - - >> 33 0.982 3.191 25.402 1 T 2.240e+06 0.00e+00 a 0 - - - >> 34 0.978 2.983 25.402 1 T 1.350e+06 0.00e+00 a 0 - - - >> 35 0.984 3.679 25.377 1 T 2.600e+06 0.00e+00 a 0 - - - >> 36 0.984 3.457 25.368 1 T 3.090e+06 0.00e+00 a 0 - - - >> 37 0.970 4.101 25.424 1 T 1.040e+07 0.00e+00 a 0 - - - >> 38 0.982 4.205 25.374 1 T 5.870e+06 0.00e+00 a 0 - - - >> 39 0.984 4.400 25.425 1 T 3.440e+06 0.00e+00 a 0 - - - >> 40 0.985 6.994 25.419 1 T 2.470e+06 0.00e+00 a 0 - - - >> 41 3.976 2.935 59.652 1 T 2.380e+06 0.00e+00 a 0 - - - >> 42 3.983 1.894 59.556 1 T 1.340e+07 0.00e+00 a 0 - - - >> 43 3.980 1.681 59.454 1 T 6.580e+06 0.00e+00 a 0 - - - >> 44 4.027 1.473 59.571 1 T 4.680e+06 0.00e+00 a 0 - - - >> 45 3.955 0.939 59.624 1 T 5.380e+06 0.00e+00 a 0 - - - >> 46 1.500 1.663 24.911 1 T 3.520e+07 0.00e+00 a 0 - - - >> 47 1.499 1.912 24.854 1 T 1.520e+07 0.00e+00 a 0 - - - >> 48 1.498 2.965 24.909 1 T 7.640e+06 0.00e+00 a 0 - - - >> 49 1.508 4.001 24.935 1 T 3.970e+06 0.00e+00 a 0 - - - >> 50 1.411 1.671 24.935 1 T 4.290e+07 0.00e+00 a 0 - - - >> 51 1.411 1.897 24.879 1 T 1.940e+07 0.00e+00 a 0 - - - >> 52 1.412 2.502 24.829 1 T 1.430e+06 0.00e+00 a 0 - - - >> 53 1.409 2.960 24.913 1 T 1.020e+07 0.00e+00 a 0 - - - >> 54 1.393 3.691 24.931 1 T 4.020e+06 0.00e+00 a 0 - - - >> 55 1.413 3.671 25.023 1 T 3.930e+06 0.00e+00 a 0 - - - >> 56 1.406 3.995 24.871 1 T 4.540e+06 0.00e+00 a 0 - - - >> 57 1.415 4.311 24.890 1 T 3.870e+06 0.00e+00 a 0 - - - >> 58 1.413 4.432 24.998 1 T 1.720e+06 0.00e+00 a 0 - - - >> 59 4.428 4.237 58.770 1 T 4.900e+06 0.00e+00 a 0 - - - >> 60 4.427 3.266 59.008 1 T 5.410e+06 0.00e+00 a 0 - - - >> 61 4.427 1.246 58.961 1 T 1.990e+06 0.00e+00 a 0 - - - >> 62 3.242 4.426 30.683 1 T 2.360e+06 0.00e+00 a 0 - - - >> 63 3.247 4.567 30.675 1 T 1.630e+06 0.00e+00 a 0 - - - >> 64 3.427 2.029 66.095 1 T 1.950e+06 0.00e+00 a 0 - - - >> 65 3.420 1.640 66.065 1 T 1.690e+06 0.00e+00 a 0 - - - >> 66 3.417 1.067 66.120 1 T 2.160e+06 0.00e+00 a 0 - - - >> 67 3.417 0.864 66.036 1 T 3.490e+06 0.00e+00 a 0 - - - >> 68 3.414 0.380 66.016 1 T 1.030e+06 0.00e+00 a 0 - - - >> 69 3.413 4.093 65.968 1 T 8.410e+05 0.00e+00 a 0 - - - >> 70 2.136 1.067 38.296 1 T 4.430e+06 0.00e+00 a 0 - - - >> 71 2.126 4.092 38.294 1 T 1.350e+06 0.00e+00 a 0 - - - >> 72 1.068 0.901 14.596 1 T 1.250e+07 0.00e+00 a 0 - - - >> 73 1.069 0.750 14.594 1 T 6.120e+06 0.00e+00 a 0 - - - >> 74 1.070 0.392 14.621 1 T 1.660e+06 0.00e+00 a 0 - - - >> 75 1.071 1.419 14.616 1 T 2.060e+06 0.00e+00 a 0 - - - >> 76 1.069 1.721 14.610 1 T 3.750e+06 0.00e+00 a 0 - - - >> 77 1.068 2.050 14.606 1 T 1.160e+07 0.00e+00 a 0 - - - >> 78 1.069 2.405 14.609 1 T 3.130e+06 0.00e+00 a 0 - - - >> 79 1.067 2.809 14.617 1 T 1.980e+06 0.00e+00 a 0 - - - >> 80 1.068 3.426 14.598 1 T 3.060e+06 0.00e+00 a 0 - - - >> 81 1.068 3.281 14.605 1 T 1.200e+06 0.00e+00 a 0 - - - >> 82 1.067 3.606 14.648 1 T 1.960e+06 0.00e+00 a 0 - - - >> 83 1.068 4.108 14.620 1 T 4.340e+06 0.00e+00 a 0 - - - >> 84 1.068 4.586 14.585 1 T 1.150e+06 0.00e+00 a 0 - - - >> 85 1.069 7.231 14.575 1 T 2.870e+06 0.00e+00 a 0 - - - >> 86 0.725 1.064 30.740 1 T 1.680e+06 0.00e+00 a 0 - - - >> 87 0.733 1.705 30.798 1 T 8.140e+05 0.00e+00 a 0 - - - >> 88 0.742 2.036 30.807 1 T 1.340e+06 0.00e+00 a 0 - - - >> 89 0.728 3.414 30.653 1 T 6.540e+05 0.00e+00 a 0 - - - >> 90 2.001 1.274 30.507 1 T 2.790e+06 0.00e+00 a 0 - - - >> 91 2.009 1.084 30.637 1 T 2.800e+06 0.00e+00 a 0 - - - >> 92 2.002 0.933 30.572 1 T 2.510e+06 0.00e+00 a 0 - - - >> 93 1.999 0.794 30.519 1 T 1.950e+06 0.00e+00 a 0 - - - >> 94 2.021 0.743 30.590 1 T 1.790e+06 0.00e+00 a 0 - - - >> 95 0.891 0.384 18.310 1 T 6.100e+06 0.00e+00 a 0 - - - >> 96 0.891 0.549 18.333 1 T 2.280e+06 0.00e+00 a 0 - - - >> 97 0.893 2.094 18.227 1 T 7.480e+06 0.00e+00 a 0 - - - >> 98 0.962 1.681 18.138 1 T 7.730e+06 0.00e+00 a 0 - - - >> 99 0.893 1.677 18.128 1 T 3.860e+06 0.00e+00 a 0 - - - >> 100 0.887 1.443 18.183 1 T 2.900e+06 0.00e+00 a 0 - - - >> 101 0.892 1.065 18.270 1 T 2.040e+07 0.00e+00 a 0 - - - >> 102 0.891 3.422 18.291 1 T 3.430e+06 0.00e+00 a 0 - - - >> 103 0.890 4.111 18.232 1 T 2.550e+06 0.00e+00 a 0 - - - >> 104 0.892 4.536 18.141 1 T 9.160e+05 0.00e+00 a 0 - - - >> 105 0.890 7.236 18.298 1 T 5.160e+06 0.00e+00 a 0 - - - >> 106 3.589 2.144 65.815 1 T 1.180e+06 0.00e+00 a 0 - - - >> 107 3.582 1.822 65.829 1 T 2.220e+06 0.00e+00 a 0 - - - >> 108 3.583 1.082 65.837 1 T 2.770e+06 0.00e+00 a 0 - - - >> 109 3.583 0.934 65.849 1 T 5.900e+06 0.00e+00 a 0 - - - >> 110 3.580 0.772 65.854 1 T 2.390e+06 0.00e+00 a 0 - - - >> 111 1.849 1.395 38.609 1 T 3.900e+06 0.00e+00 a 0 - - - >> 112 1.848 1.138 38.623 1 T 3.280e+06 0.00e+00 a 0 - - - >> 113 1.849 0.869 38.590 1 T 1.160e+07 0.00e+00 a 0 - - - >> 114 1.865 3.597 38.588 1 T 1.020e+06 0.00e+00 a 0 - - - >> 115 1.864 3.959 38.581 1 T 1.930e+06 0.00e+00 a 0 - - - >> 116 1.847 4.171 38.594 1 T 4.460e+06 0.00e+00 a 0 - - - >> 117 1.847 4.402 38.619 1 T 7.390e+05 0.00e+00 a 0 - - - >> 118 0.766 1.823 14.335 1 T 1.060e+07 0.00e+00 a 0 - - - >> 119 0.766 2.124 14.349 1 T 7.150e+06 0.00e+00 a 0 - - - >> 120 0.766 2.336 14.346 1 T 4.950e+06 0.00e+00 a 0 - - - >> 121 0.766 3.583 14.331 1 T 3.130e+06 0.00e+00 a 0 - - - >> 122 0.766 3.963 14.320 1 T 7.130e+06 0.00e+00 a 0 - - - >> 123 0.964 0.770 30.173 1 T 1.710e+06 0.00e+00 a 0 - - - >> 124 0.958 1.833 30.164 1 T 1.460e+06 0.00e+00 a 0 - - - >> 125 1.800 0.899 30.150 1 T 4.720e+06 0.00e+00 a 0 - - - >> 126 0.906 1.857 17.456 1 T 1.140e+07 0.00e+00 a 0 - - - >> 127 0.861 1.849 17.549 1 T 1.670e+07 0.00e+00 a 0 - - - >> 128 0.906 2.128 17.574 1 T 7.180e+06 0.00e+00 a 0 - - - >> 129 0.907 2.381 17.439 1 T 4.530e+06 0.00e+00 a 0 - - - >> 130 0.906 2.656 17.437 1 T 2.040e+06 0.00e+00 a 0 - - - >> 131 0.906 3.584 17.468 1 T 5.430e+06 0.00e+00 a 0 - - - >> 132 0.906 3.953 17.443 1 T 5.090e+06 0.00e+00 a 0 - - - >> 133 0.861 3.895 17.537 1 T 3.970e+06 0.00e+00 a 0 - - - >> 134 0.904 4.526 17.441 1 T 1.020e+06 0.00e+00 a 0 - - - >> 135 3.892 2.409 66.654 1 T 2.360e+06 0.00e+00 a 0 - - - >> 136 3.891 1.244 66.702 1 T 7.420e+06 0.00e+00 a 0 - - - >> 137 4.206 1.269 68.766 1 T 1.740e+07 0.00e+00 a 0 - - - >> 138 4.206 3.937 68.782 1 T 5.670e+06 0.00e+00 a 0 - - - >> 139 4.227 4.424 68.773 1 T 3.910e+06 0.00e+00 a 0 - - - >> 140 4.231 3.262 68.736 1 T 1.080e+06 0.00e+00 a 0 - - - >> 141 4.228 1.656 68.784 1 T 1.140e+06 0.00e+00 a 0 - - - >> 142 1.276 2.354 21.657 1 T 1.910e+06 0.00e+00 a 0 - - - >> 143 1.282 2.878 21.578 1 T 1.490e+06 0.00e+00 a 0 - - - >> 144 1.279 3.262 21.641 1 T 6.450e+06 0.00e+00 a 0 - - - >> 145 1.239 3.869 21.737 1 T 1.570e+07 0.00e+00 a 0 - - - >> 146 1.242 4.232 21.630 1 T 2.290e+07 0.00e+00 a 0 - - - >> 147 1.630 0.392 41.940 1 T 1.380e+06 0.00e+00 a 0 - - - >> 148 0.843 2.498 23.619 1 T 4.440e+06 0.00e+00 a 0 - - - >> 149 0.844 2.353 23.614 1 T 4.970e+06 0.00e+00 a 0 - - - >> 150 0.844 2.905 23.593 1 T 3.210e+06 0.00e+00 a 0 - - - >> 151 0.846 3.446 23.584 1 T 2.750e+06 0.00e+00 a 0 - - - >> 152 0.843 3.580 23.549 1 T 1.990e+06 0.00e+00 a 0 - - - >> 153 0.845 4.472 23.671 1 T 1.620e+06 0.00e+00 a 0 - - - >> 154 0.842 1.455 23.588 1 T 1.170e+07 0.00e+00 a 0 - - - >> 155 0.841 1.264 23.571 1 T 4.990e+06 0.00e+00 a 0 - - - >> 156 0.803 0.384 26.282 1 T 3.820e+06 0.00e+00 a 0 - - - >> 157 0.800 1.989 26.205 1 T 6.440e+06 0.00e+00 a 0 - - - >> 158 0.801 1.631 26.304 1 T 1.180e+07 0.00e+00 a 0 - - - >> 159 0.801 1.457 26.294 1 T 9.480e+06 0.00e+00 a 0 - - - >> 160 0.803 1.236 26.217 1 T 4.380e+06 0.00e+00 a 0 - - - >> 161 0.802 2.497 26.325 1 T 4.560e+06 0.00e+00 a 0 - - - >> 162 0.801 2.222 26.272 1 T 5.920e+06 0.00e+00 a 0 - - - >> 163 0.802 2.897 26.340 1 T 2.740e+06 0.00e+00 a 0 - - - >> 164 0.801 4.068 26.251 1 T 4.680e+06 0.00e+00 a 0 - - - >> 165 0.802 3.963 26.286 1 T 4.200e+06 0.00e+00 a 0 - - - >> 166 1.460 -0.081 26.091 1 T 1.260e+06 0.00e+00 a 0 - - - >> 167 3.592 0.947 47.403 1 T 1.350e+06 0.00e+00 a 0 - - - >> 168 3.537 0.953 47.419 1 T 1.890e+06 0.00e+00 a 0 - - - >> 169 4.006 3.205 59.260 1 T 2.960e+06 0.00e+00 a 0 - - - >> 170 4.011 2.671 59.307 1 T 2.880e+06 0.00e+00 a 0 - - - >> 171 4.002 2.340 59.170 1 T 6.000e+06 0.00e+00 a 0 - - - >> 172 4.009 0.435 59.270 1 T 1.130e+06 0.00e+00 a 0 - - - >> 173 4.010 0.292 59.210 1 T 8.790e+05 0.00e+00 a 0 - - - >> 174 2.423 2.039 27.655 1 T 2.520e+06 0.00e+00 a 0 - - - >> 175 2.429 2.658 27.649 1 T 1.690e+06 0.00e+00 a 0 - - - >> 176 2.430 4.017 27.622 1 T 1.230e+06 0.00e+00 a 0 - - - >> 177 2.021 1.069 27.480 1 T 3.940e+06 0.00e+00 a 0 - - - >> 178 2.021 0.925 27.491 1 T 6.380e+06 0.00e+00 a 0 - - - >> 179 1.990 1.563 27.598 1 T 3.550e+06 0.00e+00 a 0 - - - >> 180 2.075 1.557 27.611 1 T 1.550e+06 0.00e+00 a 0 - - - >> 181 2.083 1.236 27.457 1 T 1.430e+06 0.00e+00 a 0 - - - >> 182 2.019 2.261 27.517 1 T 1.050e+07 0.00e+00 a 0 - - - >> 183 2.020 3.874 27.487 1 T 9.760e+06 0.00e+00 a 0 - - - >> 184 2.018 4.809 27.467 1 T 2.400e+06 0.00e+00 a 0 - - - >> 185 2.058 4.728 27.621 1 T 1.630e+06 0.00e+00 a 0 - - - >> 186 2.018 4.510 27.477 1 T 4.580e+06 0.00e+00 a 0 - - - >> 187 2.075 3.719 27.504 1 T 5.480e+06 0.00e+00 a 0 - - - >> 188 2.325 0.436 33.744 1 T 8.160e+05 0.00e+00 a 0 - - - >> 189 2.661 2.343 33.729 1 T 5.720e+06 0.00e+00 a 0 - - - >> 190 2.663 2.057 33.761 1 T 2.530e+06 0.00e+00 a 0 - - - >> 191 2.658 0.944 33.734 1 T 2.770e+06 0.00e+00 a 0 - - - >> 192 2.661 0.277 33.770 1 T 6.280e+05 0.00e+00 a 0 - - - >> 193 2.654 4.018 33.712 1 T 1.960e+06 0.00e+00 a 0 - - - >> 194 3.695 1.664 66.647 1 T 1.250e+06 0.00e+00 a 0 - - - >> 195 3.698 1.482 66.663 1 T 9.210e+05 0.00e+00 a 0 - - - >> 196 3.696 1.086 66.610 1 T 6.380e+06 0.00e+00 a 0 - - - >> 197 3.695 0.955 66.596 1 T 4.640e+06 0.00e+00 a 0 - - - >> 198 3.696 1.947 66.596 1 T 3.650e+06 0.00e+00 a 0 - - - >> 199 3.698 2.360 66.565 1 T 1.990e+06 0.00e+00 a 0 - - - >> 200 2.371 2.008 31.872 1 T 1.350e+07 0.00e+00 a 0 - - - >> 201 2.355 1.105 31.545 1 T 8.770e+06 0.00e+00 a 0 - - - >> 202 2.358 0.953 31.744 1 T 6.570e+06 0.00e+00 a 0 - - - >> 203 2.358 0.837 31.678 1 T 3.870e+06 0.00e+00 a 0 - - - >> 204 2.365 3.480 31.558 1 T 9.300e+05 0.00e+00 a 0 - - - >> 205 2.364 3.700 31.755 1 T 2.040e+06 0.00e+00 a 0 - - - >> 206 2.463 4.482 31.557 1 T 2.980e+06 0.00e+00 a 0 - - - >> 207 1.092 1.438 23.020 1 T 3.910e+06 0.00e+00 a 0 - - - >> 208 1.087 2.361 23.075 1 T 1.230e+07 0.00e+00 a 0 - - - >> 209 1.084 2.982 23.020 1 T 1.260e+06 0.00e+00 a 0 - - - >> 210 1.087 3.698 23.102 1 T 1.180e+07 0.00e+00 a 0 - - - >> 211 0.954 2.361 20.737 1 T 1.050e+07 0.00e+00 a 0 - - - >> 212 0.955 1.985 20.802 1 T 7.610e+06 0.00e+00 a 0 - - - >> 213 0.956 1.684 20.790 1 T 4.180e+06 0.00e+00 a 0 - - - >> 214 0.957 1.234 20.949 1 T 6.290e+06 0.00e+00 a 0 - - - >> 215 0.953 4.478 20.856 1 T 1.060e+06 0.00e+00 a 0 - - - >> 216 0.955 4.065 20.812 1 T 4.430e+06 0.00e+00 a 0 - - - >> 217 1.001 3.733 20.863 1 T 1.170e+07 0.00e+00 a 0 - - - >> 218 0.955 3.698 20.732 1 T 7.100e+06 0.00e+00 a 0 - - - >> 219 0.956 3.491 20.817 1 T 1.990e+06 0.00e+00 a 0 - - - >> 220 0.953 3.226 20.745 1 T 4.400e+06 0.00e+00 a 0 - - - >> 221 0.954 3.081 20.726 1 T 3.280e+06 0.00e+00 a 0 - - - >> 222 0.882 4.808 20.838 1 T 9.050e+05 0.00e+00 a 0 - - - >> 223 0.888 4.506 20.903 1 T 2.260e+06 0.00e+00 a 0 - - - >> 224 0.887 4.342 20.931 1 T 2.310e+06 0.00e+00 a 0 - - - >> 225 1.002 4.327 20.873 1 T 1.960e+07 0.00e+00 a 0 - - - >> 226 0.889 4.129 20.919 1 T 9.670e+06 0.00e+00 a 0 - - - >> 227 3.487 1.799 65.816 1 T 1.330e+06 0.00e+00 a 0 - - - >> 228 3.494 4.006 65.724 1 T 5.640e+05 0.00e+00 a 0 - - - >> 229 2.019 0.949 38.016 1 T 4.430e+06 0.00e+00 a 0 - - - >> 230 2.021 0.839 38.034 1 T 4.140e+06 0.00e+00 a 0 - - - >> 231 2.027 4.027 38.022 1 T 7.270e+05 0.00e+00 a 0 - - - >> 232 2.031 3.509 38.048 1 T 8.570e+05 0.00e+00 a 0 - - - >> 233 1.999 3.953 37.997 1 T 6.840e+05 0.00e+00 a 0 - - - >> 234 0.856 1.446 16.178 1 T 6.380e+06 0.00e+00 a 0 - - - >> 235 0.854 2.002 16.267 1 T 5.600e+06 0.00e+00 a 0 - - - >> 236 0.853 1.802 16.216 1 T 4.620e+06 0.00e+00 a 0 - - - >> 237 0.856 2.364 16.219 1 T 1.520e+06 0.00e+00 a 0 - - - >> 238 0.857 2.515 16.239 1 T 2.160e+06 0.00e+00 a 0 - - - >> 239 0.854 2.918 16.154 1 T 2.030e+06 0.00e+00 a 0 - - - >> 240 0.854 3.498 16.204 1 T 3.510e+06 0.00e+00 a 0 - - - >> 241 0.857 3.908 16.215 1 T 2.910e+06 0.00e+00 a 0 - - - >> 242 0.714 0.545 16.943 1 T 4.260e+06 0.00e+00 a 0 - - - >> 243 0.715 -0.249 16.928 1 T 2.020e+06 0.00e+00 a 0 - - - >> 244 0.714 0.852 16.972 1 T 2.220e+07 0.00e+00 a 0 - - - >> 245 0.715 1.443 16.935 1 T 2.510e+06 0.00e+00 a 0 - - - >> 246 0.712 1.821 16.936 1 T 3.030e+06 0.00e+00 a 0 - - - >> 247 0.714 2.000 16.968 1 T 5.520e+06 0.00e+00 a 0 - - - >> 248 0.716 2.360 17.030 1 T 1.180e+06 0.00e+00 a 0 - - - >> 249 0.719 2.597 16.928 1 T 1.030e+06 0.00e+00 a 0 - - - >> 250 0.714 3.486 16.962 1 T 4.430e+06 0.00e+00 a 0 - - - >> 251 0.715 3.205 17.007 1 T 9.890e+05 0.00e+00 a 0 - - - >> 252 0.714 2.928 16.920 1 T 5.870e+05 0.00e+00 a 0 - - - >> 253 0.713 4.469 16.846 1 T 1.180e+06 0.00e+00 a 0 - - - >> 254 0.712 4.296 16.947 1 T 5.560e+05 0.00e+00 a 0 - - - >> 255 0.713 4.094 16.998 1 T 1.330e+06 0.00e+00 a 0 - - - >> 256 0.714 3.925 16.917 1 T 1.960e+06 0.00e+00 a 0 - - - >> 257 0.713 7.203 16.945 1 T 6.120e+05 0.00e+00 a 0 - - - >> 258 3.937 3.179 61.283 1 T 2.730e+06 0.00e+00 a 0 - - - >> 259 3.939 3.458 61.237 1 T 1.230e+06 0.00e+00 a 0 - - - >> 260 3.939 0.955 61.284 1 T 1.520e+06 0.00e+00 a 0 - - - >> 261 3.182 0.433 29.767 1 T 1.010e+06 0.00e+00 a 0 - - - >> 262 3.193 1.557 29.969 1 T 9.520e+05 0.00e+00 a 0 - - - >> 263 3.189 3.962 29.983 1 T 1.820e+06 0.00e+00 a 0 - - - >> 264 3.697 1.953 59.488 1 T 1.060e+07 0.00e+00 a 0 - - - >> 265 3.699 1.494 59.484 1 T 2.530e+06 0.00e+00 a 0 - - - >> 266 3.691 1.366 59.639 1 T 2.770e+06 0.00e+00 a 0 - - - >> 267 3.764 1.395 59.501 1 T 7.010e+05 0.00e+00 a 0 - - - >> 268 3.685 3.182 59.619 1 T 1.550e+06 0.00e+00 a 0 - - - >> 269 1.946 1.676 32.188 1 T 1.470e+07 0.00e+00 a 0 - - - >> 270 1.971 2.963 32.229 1 T 3.530e+06 0.00e+00 a 0 - - - >> 271 1.958 2.961 32.215 1 T 3.460e+06 0.00e+00 a 0 - - - >> 272 1.946 3.693 32.207 1 T 1.140e+07 0.00e+00 a 0 - - - >> 273 2.003 4.459 32.123 1 T 7.310e+06 0.00e+00 a 0 - - - >> 274 1.977 4.219 32.293 1 T 3.360e+06 0.00e+00 a 0 - - - >> 275 1.977 3.886 32.086 1 T 5.780e+06 0.00e+00 a 0 - - - >> 276 1.417 1.088 24.814 1 T 1.160e+06 0.00e+00 a 0 - - - >> 277 1.401 2.091 24.759 1 T 5.580e+06 0.00e+00 a 0 - - - >> 278 1.402 4.593 24.784 1 T 7.740e+05 0.00e+00 a 0 - - - >> 279 1.509 0.992 24.772 1 T 1.120e+06 0.00e+00 a 0 - - - >> 280 1.527 0.786 24.802 1 T 7.800e+05 0.00e+00 a 0 - - - >> 281 1.499 3.701 24.806 1 T 3.150e+06 0.00e+00 a 0 - - - >> 282 1.462 3.928 24.630 1 T 1.940e+06 0.00e+00 a 0 - - - >> 283 1.947 2.462 30.494 1 T 3.330e+06 0.00e+00 a 0 - - - >> 284 1.953 3.250 30.370 1 T 7.640e+06 0.00e+00 a 0 - - - >> 285 2.004 4.197 30.358 1 T 4.830e+06 0.00e+00 a 0 - - - >> 286 1.966 4.209 30.324 1 T 4.560e+06 0.00e+00 a 0 - - - >> 287 1.843 4.055 30.435 1 T 2.940e+06 0.00e+00 a 0 - - - >> 288 1.714 1.407 27.628 1 T 3.440e+06 0.00e+00 a 0 - - - >> 289 1.728 1.282 27.741 1 T 2.310e+06 0.00e+00 a 0 - - - >> 290 1.658 3.242 27.609 1 T 1.930e+07 0.00e+00 a 0 - - - >> 291 1.637 2.719 27.628 1 T 9.760e+05 0.00e+00 a 0 - - - >> 292 1.686 2.477 27.479 1 T 1.400e+06 0.00e+00 a 0 - - - >> 293 1.564 4.466 27.521 1 T 1.540e+06 0.00e+00 a 0 - - - >> 294 1.659 4.250 27.515 1 T 2.670e+06 0.00e+00 a 0 - - - >> 295 1.716 4.042 27.694 1 T 5.690e+06 0.00e+00 a 0 - - - >> 296 1.656 4.051 27.589 1 T 7.860e+06 0.00e+00 a 0 - - - >> 297 1.576 3.913 27.753 1 T 1.780e+06 0.00e+00 a 0 - - - >> 298 1.958 0.955 27.571 1 T 3.830e+06 0.00e+00 a 0 - - - >> 299 1.955 3.111 27.558 1 T 1.700e+06 0.00e+00 a 0 - - - >> 300 1.942 3.242 27.592 1 T 3.660e+06 0.00e+00 a 0 - - - >> 301 3.935 3.170 66.075 1 T 1.690e+06 0.00e+00 a 0 - - - >> 302 3.904 2.997 65.986 1 T 2.780e+06 0.00e+00 a 0 - - - >> 303 3.905 2.789 65.942 1 T 9.960e+05 0.00e+00 a 0 - - - >> 304 2.630 3.909 27.273 1 T 1.200e+06 0.00e+00 a 0 - - - >> 305 3.096 3.918 27.285 1 T 1.290e+06 0.00e+00 a 0 - - - >> 306 3.106 2.621 27.316 1 T 9.920e+05 0.00e+00 a 0 - - - >> 307 3.829 3.151 58.222 1 T 1.200e+06 0.00e+00 a 0 - - - >> 308 3.830 1.957 58.316 1 T 8.330e+06 0.00e+00 a 0 - - - >> 309 1.954 3.849 29.918 1 T 3.090e+06 0.00e+00 a 0 - - - >> 310 2.012 3.682 29.768 1 T 2.630e+06 0.00e+00 a 0 - - - >> 311 1.943 3.688 29.975 1 T 1.680e+06 0.00e+00 a 0 - - - >> 312 1.909 3.701 29.978 1 T 9.220e+05 0.00e+00 a 0 - - - >> 313 2.045 4.074 29.895 1 T 1.250e+07 0.00e+00 a 0 - - - >> 314 2.119 4.533 29.869 1 T 2.600e+06 0.00e+00 a 0 - - - >> 315 1.945 1.682 36.240 1 T 1.130e+06 0.00e+00 a 0 - - - >> 316 1.956 3.832 36.304 1 T 3.150e+06 0.00e+00 a 0 - - - >> 317 1.943 3.703 36.269 1 T 1.610e+06 0.00e+00 a 0 - - - >> 318 4.222 2.460 55.797 1 T 4.030e+06 0.00e+00 a 0 - - - >> 319 4.224 0.911 55.375 1 T 1.290e+07 0.00e+00 a 0 - - - >> 320 1.945 4.541 30.217 1 T 2.470e+06 0.00e+00 a 0 - - - >> 321 1.957 4.073 30.161 1 T 6.870e+06 0.00e+00 a 0 - - - >> 322 2.100 1.430 30.231 1 T 4.650e+06 0.00e+00 a 0 - - - >> 323 2.113 2.985 30.054 1 T 2.000e+06 0.00e+00 a 0 - - - >> 324 2.233 4.525 36.424 1 T 8.060e+05 0.00e+00 a 0 - - - >> 325 2.228 4.224 36.362 1 T 4.680e+06 0.00e+00 a 0 - - - >> 326 2.455 2.215 36.399 1 T 2.300e+07 0.00e+00 a 0 - - - >> 327 2.451 2.118 36.384 1 T 1.870e+07 0.00e+00 a 0 - - - >> 328 2.459 1.961 36.336 1 T 5.410e+06 0.00e+00 a 0 - - - >> 329 2.448 1.669 36.287 1 T 1.460e+06 0.00e+00 a 0 - - - >> 330 2.469 1.660 36.429 1 T 1.530e+06 0.00e+00 a 0 - - - >> 331 2.465 1.559 36.420 1 T 1.560e+06 0.00e+00 a 0 - - - >> 332 2.447 1.512 36.377 1 T 1.610e+06 0.00e+00 a 0 - - - >> 333 2.417 1.001 36.237 1 T 1.260e+06 0.00e+00 a 0 - - - >> 334 2.444 1.141 36.294 1 T 2.140e+06 0.00e+00 a 0 - - - >> 335 2.458 4.220 36.357 1 T 4.010e+06 0.00e+00 a 0 - - - >> 336 2.448 4.079 36.395 1 T 4.220e+06 0.00e+00 a 0 - - - >> 337 4.258 2.237 56.284 1 T 1.410e+07 0.00e+00 a 0 - - - >> 338 4.315 2.692 56.255 1 T 4.570e+06 0.00e+00 a 0 - - - >> 339 4.260 1.908 56.152 1 T 7.920e+06 0.00e+00 a 0 - - - >> 340 2.114 3.008 33.090 1 T 1.440e+06 0.00e+00 a 0 - - - >> 341 2.389 0.899 33.508 1 T 3.750e+06 0.00e+00 a 0 - - - >> 342 2.392 0.728 33.429 1 T 2.730e+06 0.00e+00 a 0 - - - >> 343 2.394 0.610 33.404 1 T 1.360e+06 0.00e+00 a 0 - - - >> 344 2.385 1.065 33.435 1 T 2.490e+06 0.00e+00 a 0 - - - >> 345 2.392 2.770 33.388 1 T 6.210e+06 0.00e+00 a 0 - - - >> 346 2.378 4.440 33.545 1 T 7.290e+05 0.00e+00 a 0 - - - >> 347 2.228 -0.015 17.627 1 T 2.140e+06 0.00e+00 a 0 - - - >> 348 2.227 -0.268 17.620 1 T 1.680e+06 0.00e+00 a 0 - - - >> 349 2.227 1.311 17.640 1 T 1.680e+06 0.00e+00 a 0 - - - >> 350 2.227 0.959 17.632 1 T 8.130e+06 0.00e+00 a 0 - - - >> 351 2.227 0.811 17.626 1 T 7.780e+06 0.00e+00 a 0 - - - >> 352 2.227 0.537 17.620 1 T 2.130e+06 0.00e+00 a 0 - - - >> 353 2.228 1.683 17.579 1 T 2.200e+06 0.00e+00 a 0 - - - >> 354 2.227 2.078 17.650 1 T 6.340e+06 0.00e+00 a 0 - - - >> 355 2.227 3.922 17.647 1 T 2.650e+06 0.00e+00 a 0 - - - >> 356 2.228 3.779 17.637 1 T 3.930e+06 0.00e+00 a 0 - - - >> 357 2.227 3.499 17.599 1 T 1.310e+06 0.00e+00 a 0 - - - >> 358 2.228 3.311 17.631 1 T 3.350e+06 0.00e+00 a 0 - - - >> 359 2.176 3.005 17.441 1 T 5.400e+05 0.00e+00 a 0 - - - >> 360 2.227 2.996 17.624 1 T 8.140e+06 0.00e+00 a 0 - - - >> 361 2.228 4.791 17.646 1 T 1.280e+06 0.00e+00 a 0 - - - >> 362 2.227 4.510 17.640 1 T 4.130e+06 0.00e+00 a 0 - - - >> 363 2.228 4.250 17.595 1 T 3.040e+06 0.00e+00 a 0 - - - >> 364 2.228 4.148 17.625 1 T 2.540e+06 0.00e+00 a 0 - - - >> 365 2.226 5.023 17.640 1 T 7.180e+05 0.00e+00 a 0 - - - >> 366 3.003 2.244 33.147 1 T 1.890e+06 0.00e+00 a 0 - - - >> 367 2.996 2.105 33.189 1 T 1.460e+06 0.00e+00 a 0 - - - >> 368 3.006 3.918 33.145 1 T 1.340e+06 0.00e+00 a 0 - - - >> 369 3.000 4.258 33.146 1 T 1.470e+06 0.00e+00 a 0 - - - >> 370 3.006 0.957 33.134 1 T 8.150e+05 0.00e+00 a 0 - - - >> 371 3.971 2.974 56.817 1 T 3.260e+06 0.00e+00 a 0 - - - >> 372 3.969 1.622 56.980 1 T 3.940e+06 0.00e+00 a 0 - - - >> 373 3.970 1.345 56.839 1 T 6.850e+06 0.00e+00 a 0 - - - >> 374 0.967 1.353 33.249 1 T 7.540e+06 0.00e+00 a 0 - - - >> 375 0.962 1.611 33.269 1 T 2.510e+06 0.00e+00 a 0 - - - >> 376 0.961 3.007 33.225 1 T 7.340e+05 0.00e+00 a 0 - - - >> 377 0.963 3.973 33.246 1 T 2.020e+06 0.00e+00 a 0 - - - >> 378 1.356 0.967 33.232 1 T 3.950e+06 0.00e+00 a 0 - - - >> 379 1.354 1.610 33.272 1 T 2.430e+06 0.00e+00 a 0 - - - >> 380 1.354 2.993 33.270 1 T 9.010e+05 0.00e+00 a 0 - - - >> 381 1.352 3.972 33.242 1 T 2.100e+06 0.00e+00 a 0 - - - >> 382 1.611 0.968 28.872 1 T 4.500e+06 0.00e+00 a 0 - - - >> 383 1.611 1.358 28.927 1 T 1.450e+07 0.00e+00 a 0 - - - >> 384 3.002 0.808 41.754 1 T 7.150e+06 0.00e+00 a 0 - - - >> 385 3.014 0.973 41.824 1 T 4.940e+06 0.00e+00 a 0 - - - >> 386 2.999 1.696 41.802 1 T 6.110e+07 0.00e+00 a 0 - - - >> 387 3.003 2.082 41.779 1 T 7.640e+06 0.00e+00 a 0 - - - >> 388 3.000 2.238 41.808 1 T 4.520e+06 0.00e+00 a 0 - - - >> 389 3.016 3.367 41.847 1 T 7.290e+06 0.00e+00 a 0 - - - >> 390 2.998 3.654 41.820 1 T 2.790e+06 0.00e+00 a 0 - - - >> 391 2.999 4.019 41.787 1 T 6.970e+06 0.00e+00 a 0 - - - >> 392 2.996 4.764 41.798 1 T 8.870e+05 0.00e+00 a 0 - - - >> 393 3.073 4.603 41.692 1 T 8.650e+05 0.00e+00 a 0 - - - >> 394 3.001 4.588 41.661 1 T 3.320e+06 0.00e+00 a 0 - - - >> 395 1.262 0.972 25.035 1 T 3.240e+06 0.00e+00 a 0 - - - >> 396 1.263 1.619 25.017 1 T 8.750e+06 0.00e+00 a 0 - - - >> 397 1.267 3.603 24.907 1 T 1.300e+06 0.00e+00 a 0 - - - >> 398 1.260 3.973 25.055 1 T 3.130e+06 0.00e+00 a 0 - - - >> 399 1.361 0.968 25.006 1 T 3.670e+06 0.00e+00 a 0 - - - >> 400 1.362 4.266 24.886 1 T 1.300e+06 0.00e+00 a 0 - - - >> 401 5.033 3.317 54.421 1 T 1.780e+06 0.00e+00 a 0 - - - >> 402 5.035 2.681 54.439 1 T 1.340e+06 0.00e+00 a 0 - - - >> 403 5.028 2.918 54.426 1 T 5.370e+05 0.00e+00 a 0 - - - >> 404 5.029 1.307 54.439 1 T 6.150e+05 0.00e+00 a 0 - - - >> 405 5.038 0.805 54.307 1 T 7.480e+05 0.00e+00 a 0 - - - >> 406 5.033 6.956 54.407 1 T 1.160e+06 0.00e+00 a 0 - - - >> 407 5.032 7.283 54.430 1 T 2.880e+06 0.00e+00 a 0 - - - >> 408 2.643 0.808 41.751 1 T 9.860e+05 0.00e+00 a 0 - - - >> 409 2.669 5.043 41.713 1 T 9.230e+05 0.00e+00 a 0 - - - >> 410 3.312 2.679 41.712 1 T 1.320e+06 0.00e+00 a 0 - - - >> 411 3.308 5.030 41.786 1 T 1.320e+06 0.00e+00 a 0 - - - >> 412 3.320 0.803 41.842 1 T 1.180e+06 0.00e+00 a 0 - - - >> 413 3.774 3.334 61.370 1 T 1.480e+06 0.00e+00 a 0 - - - >> 414 3.750 2.766 61.238 1 T 2.780e+06 0.00e+00 a 0 - - - >> 415 3.756 -0.069 61.343 1 T 7.180e+05 0.00e+00 a 0 - - - >> 416 3.781 0.775 61.386 1 T 7.400e+05 0.00e+00 a 0 - - - >> 417 3.758 0.758 61.431 1 T 8.180e+05 0.00e+00 a 0 - - - >> 418 2.934 2.756 26.475 1 T 1.840e+06 0.00e+00 a 0 - - - >> 419 2.934 2.119 26.525 1 T 5.640e+05 0.00e+00 a 0 - - - >> 420 2.936 3.755 26.457 1 T 8.370e+05 0.00e+00 a 0 - - - >> 421 2.747 -0.023 26.618 1 T 6.100e+05 0.00e+00 a 0 - - - >> 422 2.770 2.953 26.419 1 T 1.620e+06 0.00e+00 a 0 - - - >> 423 2.749 3.757 26.600 1 T 8.400e+05 0.00e+00 a 0 - - - >> 424 3.661 1.675 60.495 1 T 6.660e+06 0.00e+00 a 0 - - - >> 425 3.667 1.411 60.311 1 T 3.240e+06 0.00e+00 a 0 - - - >> 426 3.667 0.872 60.342 1 T 1.340e+06 0.00e+00 a 0 - - - >> 427 1.697 1.266 33.022 1 T 1.850e+06 0.00e+00 a 0 - - - >> 428 1.699 2.969 32.990 1 T 1.180e+06 0.00e+00 a 0 - - - >> 429 1.695 3.652 32.985 1 T 1.080e+06 0.00e+00 a 0 - - - >> 430 4.063 2.958 58.435 1 T 2.260e+06 0.00e+00 a 0 - - - >> 431 4.061 2.094 58.538 1 T 1.930e+07 0.00e+00 a 0 - - - >> 432 4.066 1.886 58.391 1 T 9.290e+06 0.00e+00 a 0 - - - >> 433 1.819 3.661 30.246 1 T 1.790e+06 0.00e+00 a 0 - - - >> 434 1.631 3.892 24.403 1 T 2.150e+06 0.00e+00 a 0 - - - >> 435 1.476 4.640 24.711 1 T 6.570e+05 0.00e+00 a 0 - - - >> 436 1.585 4.535 24.753 1 T 2.730e+06 0.00e+00 a 0 - - - >> 437 1.548 4.538 24.739 1 T 2.960e+06 0.00e+00 a 0 - - - >> 438 1.543 2.034 24.820 1 T 8.610e+06 0.00e+00 a 0 - - - >> 439 4.036 1.279 59.718 1 T 3.090e+06 0.00e+00 a 0 - - - >> 440 4.059 3.267 59.757 1 T 2.130e+06 0.00e+00 a 0 - - - >> 441 4.268 7.198 64.267 1 T 1.460e+06 0.00e+00 a 0 - - - >> 442 4.271 3.659 64.254 1 T 5.830e+05 0.00e+00 a 0 - - - >> 443 4.272 2.985 64.247 1 T 1.150e+06 0.00e+00 a 0 - - - >> 444 4.262 2.801 64.271 1 T 8.780e+05 0.00e+00 a 0 - - - >> 445 4.291 2.120 64.071 1 T 7.920e+05 0.00e+00 a 0 - - - >> 446 4.261 1.788 64.233 1 T 7.620e+05 0.00e+00 a 0 - - - >> 447 4.264 1.011 64.217 1 T 1.180e+06 0.00e+00 a 0 - - - >> 448 4.251 -0.255 64.180 1 T 6.350e+05 0.00e+00 a 0 - - - >> 449 2.838 3.697 26.205 1 T 5.010e+05 0.00e+00 a 0 - - - >> 450 3.899 3.113 59.259 1 T 1.940e+06 0.00e+00 a 0 - - - >> 451 3.904 1.868 59.352 1 T 4.670e+06 0.00e+00 a 0 - - - >> 452 1.513 1.150 28.425 1 T 1.660e+06 0.00e+00 a 0 - - - >> 453 1.516 1.863 28.437 1 T 6.330e+06 0.00e+00 a 0 - - - >> 454 1.512 2.971 28.584 1 T 3.010e+06 0.00e+00 a 0 - - - >> 455 1.476 2.965 28.543 1 T 2.600e+06 0.00e+00 a 0 - - - >> 456 1.466 3.216 28.198 1 T 1.420e+06 0.00e+00 a 0 - - - >> 457 1.517 3.414 28.527 1 T 1.780e+06 0.00e+00 a 0 - - - >> 458 1.514 3.686 28.618 1 T 8.660e+05 0.00e+00 a 0 - - - >> 459 1.487 3.675 28.608 1 T 6.270e+05 0.00e+00 a 0 - - - >> 460 1.530 3.895 28.294 1 T 1.750e+06 0.00e+00 a 0 - - - >> 461 1.511 4.270 28.564 1 T 8.130e+05 0.00e+00 a 0 - - - >> 462 1.883 4.116 28.349 1 T 3.650e+06 0.00e+00 a 0 - - - >> 463 3.081 2.234 43.508 1 T 1.080e+06 0.00e+00 a 0 - - - >> 464 3.080 1.889 43.443 1 T 9.180e+06 0.00e+00 a 0 - - - >> 465 3.008 1.702 43.455 1 T 2.160e+06 0.00e+00 a 0 - - - >> 466 3.080 0.955 43.500 1 T 6.860e+06 0.00e+00 a 0 - - - >> 467 3.057 1.511 43.175 1 T 1.820e+07 0.00e+00 a 0 - - - >> 468 3.061 1.697 43.272 1 T 1.210e+07 0.00e+00 a 0 - - - >> 469 3.080 3.951 43.432 1 T 2.980e+06 0.00e+00 a 0 - - - >> 470 3.961 2.987 58.353 1 T 1.820e+06 0.00e+00 a 0 - - - >> 471 3.958 1.419 58.548 1 T 4.560e+06 0.00e+00 a 0 - - - >> 472 4.066 1.670 58.035 1 T 1.520e+07 0.00e+00 a 0 - - - >> 473 4.069 4.485 58.075 1 T 1.680e+06 0.00e+00 a 0 - - - >> 474 1.041 0.521 39.844 1 T 1.010e+06 0.00e+00 a 0 - - - >> 475 1.058 -0.238 39.916 1 T 8.730e+05 0.00e+00 a 0 - - - >> 476 1.032 -0.242 39.888 1 T 6.910e+05 0.00e+00 a 0 - - - >> 477 1.801 0.989 39.914 1 T 1.270e+06 0.00e+00 a 0 - - - >> 478 -0.249 0.522 24.974 1 T 8.960e+06 0.00e+00 a 0 - - - >> 479 -0.248 0.820 24.972 1 T 6.370e+06 0.00e+00 a 0 - - - >> 480 -0.249 0.999 24.984 1 T 1.050e+07 0.00e+00 a 0 - - - >> 481 -0.249 1.439 24.999 1 T 3.490e+06 0.00e+00 a 0 - - - >> 482 -0.249 1.809 24.971 1 T 2.870e+06 0.00e+00 a 0 - - - >> 483 -0.250 2.000 24.940 1 T 1.470e+06 0.00e+00 a 0 - - - >> 484 -0.247 2.196 25.049 1 T 1.640e+06 0.00e+00 a 0 - - - >> 485 -0.248 2.471 24.927 1 T 8.510e+05 0.00e+00 a 0 - - - >> 486 -0.252 2.645 24.973 1 T 9.390e+05 0.00e+00 a 0 - - - >> 487 -0.248 2.952 24.932 1 T 7.840e+05 0.00e+00 a 0 - - - >> 488 -0.246 3.485 25.020 1 T 1.300e+06 0.00e+00 a 0 - - - >> 489 -0.250 4.259 25.062 1 T 1.060e+06 0.00e+00 a 0 - - - >> 490 -0.251 4.110 24.972 1 T 1.630e+06 0.00e+00 a 0 - - - >> 491 -0.252 3.910 24.973 1 T 1.540e+06 0.00e+00 a 0 - - - >> 492 -0.248 7.209 24.960 1 T 2.850e+06 0.00e+00 a 0 - - - >> 493 0.521 -0.249 22.463 1 T 8.820e+06 0.00e+00 a 0 - - - >> 494 0.522 2.200 22.483 1 T 2.320e+06 0.00e+00 a 0 - - - >> 495 0.520 4.243 22.432 1 T 1.190e+06 0.00e+00 a 0 - - - >> 496 0.521 4.114 22.488 1 T 3.800e+06 0.00e+00 a 0 - - - >> 497 3.452 3.906 48.341 1 T 6.470e+05 0.00e+00 a 0 - - - >> 498 3.459 4.101 48.384 1 T 8.360e+05 0.00e+00 a 0 - - - >> 499 4.259 0.277 59.475 1 T 1.380e+06 0.00e+00 a 0 - - - >> 500 4.260 0.437 59.539 1 T 6.880e+05 0.00e+00 a 0 - - - >> 501 4.259 6.993 59.668 1 T 1.680e+06 0.00e+00 a 0 - - - >> 502 3.163 4.266 30.419 1 T 1.940e+06 0.00e+00 a 0 - - - >> 503 3.216 4.255 30.495 1 T 2.080e+06 0.00e+00 a 0 - - - >> 504 3.452 2.173 67.942 1 T 1.100e+06 0.00e+00 a 0 - - - >> 505 3.453 1.860 67.927 1 T 1.160e+06 0.00e+00 a 0 - - - >> 506 3.458 0.813 67.921 1 T 2.380e+06 0.00e+00 a 0 - - - >> 507 3.458 0.930 68.010 1 T 3.740e+06 0.00e+00 a 0 - - - >> 508 3.453 0.558 67.946 1 T 7.640e+05 0.00e+00 a 0 - - - >> 509 3.459 7.840 68.044 1 T 6.150e+05 0.00e+00 a 0 - - - >> 510 2.167 0.547 31.256 1 T 7.840e+05 0.00e+00 a 0 - - - >> 511 0.908 1.794 23.230 1 T 1.810e+07 0.00e+00 a 0 - - - >> 512 0.908 1.499 23.253 1 T 1.210e+07 0.00e+00 a 0 - - - >> 513 0.942 0.396 23.038 1 T 3.530e+06 0.00e+00 a 0 - - - >> 514 0.912 2.715 23.264 1 T 1.620e+06 0.00e+00 a 0 - - - >> 515 0.907 4.224 23.190 1 T 2.000e+07 0.00e+00 a 0 - - - >> 516 0.925 7.232 23.531 1 T 3.090e+06 0.00e+00 a 0 - - - >> 517 0.921 7.000 23.397 1 T 2.240e+06 0.00e+00 a 0 - - - >> 518 0.931 6.668 23.434 1 T 1.280e+06 0.00e+00 a 0 - - - >> 519 0.927 2.034 23.449 1 T 1.520e+07 0.00e+00 a 0 - - - >> 520 0.922 2.168 23.528 1 T 1.030e+07 0.00e+00 a 0 - - - >> 521 0.917 3.189 23.506 1 T 2.060e+06 0.00e+00 a 0 - - - >> 522 0.923 4.149 23.452 1 T 1.080e+07 0.00e+00 a 0 - - - >> 523 3.929 1.598 57.866 1 T 3.680e+06 0.00e+00 a 0 - - - >> 524 3.928 0.947 57.736 1 T 3.380e+06 0.00e+00 a 0 - - - >> 525 3.929 0.282 57.811 1 T 1.700e+06 0.00e+00 a 0 - - - >> 526 3.931 0.431 57.829 1 T 2.500e+06 0.00e+00 a 0 - - - >> 527 1.391 0.428 41.343 1 T 2.120e+06 0.00e+00 a 0 - - - >> 528 1.392 0.277 41.341 1 T 2.430e+06 0.00e+00 a 0 - - - >> 529 1.575 0.274 41.332 1 T 2.080e+06 0.00e+00 a 0 - - - >> 530 1.584 0.423 41.448 1 T 1.850e+06 0.00e+00 a 0 - - - >> 531 1.344 0.732 41.564 1 T 2.000e+06 0.00e+00 a 0 - - - >> 532 1.381 1.107 41.255 1 T 9.410e+05 0.00e+00 a 0 - - - >> 533 1.347 1.037 41.495 1 T 6.780e+05 0.00e+00 a 0 - - - >> 534 1.389 1.585 41.409 1 T 4.580e+06 0.00e+00 a 0 - - - >> 535 1.380 1.854 41.468 1 T 1.400e+06 0.00e+00 a 0 - - - >> 536 1.357 1.849 41.518 1 T 1.450e+06 0.00e+00 a 0 - - - >> 537 1.376 3.205 41.419 1 T 8.990e+05 0.00e+00 a 0 - - - >> 538 1.382 3.923 41.366 1 T 1.250e+06 0.00e+00 a 0 - - - >> 539 1.383 4.254 41.313 1 T 8.250e+05 0.00e+00 a 0 - - - >> 540 1.586 4.265 41.534 1 T 1.010e+06 0.00e+00 a 0 - - - >> 541 0.426 0.275 22.461 1 T 1.810e+07 0.00e+00 a 0 - - - >> 542 0.427 0.954 22.502 1 T 7.330e+06 0.00e+00 a 0 - - - >> 543 0.426 1.394 22.456 1 T 4.860e+06 0.00e+00 a 0 - - - >> 544 0.426 1.575 22.462 1 T 1.130e+07 0.00e+00 a 0 - - - >> 545 0.425 2.341 22.420 1 T 1.540e+06 0.00e+00 a 0 - - - >> 546 0.477 2.189 22.463 1 T 7.280e+05 0.00e+00 a 0 - - - >> 547 0.426 2.166 22.449 1 T 1.570e+06 0.00e+00 a 0 - - - >> 548 0.426 2.004 22.474 1 T 1.740e+06 0.00e+00 a 0 - - - >> 549 0.429 2.664 22.426 1 T 9.660e+05 0.00e+00 a 0 - - - >> 550 0.425 3.560 22.476 1 T 1.040e+06 0.00e+00 a 0 - - - >> 551 0.426 3.189 22.446 1 T 3.410e+06 0.00e+00 a 0 - - - >> 552 0.424 2.944 22.435 1 T 1.070e+06 0.00e+00 a 0 - - - >> 553 0.426 4.259 22.445 1 T 1.340e+06 0.00e+00 a 0 - - - >> 554 0.426 3.942 22.456 1 T 5.970e+06 0.00e+00 a 0 - - - >> 555 0.275 0.428 24.018 1 T 2.070e+07 0.00e+00 a 0 - - - >> 556 0.274 1.090 23.975 1 T 2.090e+06 0.00e+00 a 0 - - - >> 557 0.275 0.949 24.026 1 T 5.660e+06 0.00e+00 a 0 - - - >> 558 0.275 1.577 24.011 1 T 1.380e+07 0.00e+00 a 0 - - - >> 559 0.275 1.394 24.012 1 T 6.130e+06 0.00e+00 a 0 - - - >> 560 0.284 1.224 23.988 1 T 1.220e+06 0.00e+00 a 0 - - - >> 561 0.275 2.655 24.023 1 T 9.940e+05 0.00e+00 a 0 - - - >> 562 0.274 2.333 24.018 1 T 1.450e+06 0.00e+00 a 0 - - - >> 563 0.273 2.160 24.000 1 T 1.540e+06 0.00e+00 a 0 - - - >> 564 0.274 1.991 24.043 1 T 1.820e+06 0.00e+00 a 0 - - - >> 565 0.274 3.190 23.991 1 T 3.380e+06 0.00e+00 a 0 - - - >> 566 0.278 2.939 23.983 1 T 1.070e+06 0.00e+00 a 0 - - - >> 567 0.280 3.565 23.959 1 T 8.930e+05 0.00e+00 a 0 - - - >> 568 0.275 3.941 24.015 1 T 5.260e+06 0.00e+00 a 0 - - - >> 569 0.274 4.268 24.009 1 T 2.050e+06 0.00e+00 a 0 - - - >> 570 0.273 7.906 24.008 1 T 2.250e+06 0.00e+00 a 0 - - - >> 571 0.275 7.649 24.016 1 T 1.430e+06 0.00e+00 a 0 - - - >> 572 0.272 6.994 23.936 1 T 8.800e+05 0.00e+00 a 0 - - - >> 573 0.275 6.841 23.996 1 T 1.900e+06 0.00e+00 a 0 - - - >> 574 1.567 0.428 26.046 1 T 2.680e+06 0.00e+00 a 0 - - - >> 575 1.566 0.275 26.068 1 T 2.800e+06 0.00e+00 a 0 - - - >> 576 1.559 3.916 25.884 1 T 1.560e+06 0.00e+00 a 0 - - - >> 577 1.539 4.216 26.027 1 T 3.090e+06 0.00e+00 a 0 - - - >> 578 1.547 6.838 26.075 1 T 6.510e+05 0.00e+00 a 0 - - - >> 579 3.787 2.028 46.629 1 T 9.680e+05 0.00e+00 a 0 - - - >> 580 3.609 3.945 56.562 1 T 1.150e+06 0.00e+00 a 0 - - - >> 581 3.620 4.289 56.392 1 T 7.260e+05 0.00e+00 a 0 - - - >> 582 3.622 7.835 56.547 1 T 8.780e+05 0.00e+00 a 0 - - - >> 583 3.619 1.852 56.530 1 T 1.710e+06 0.00e+00 a 0 - - - >> 584 3.625 2.056 56.429 1 T 8.050e+05 0.00e+00 a 0 - - - >> 585 3.633 2.191 56.539 1 T 7.600e+05 0.00e+00 a 0 - - - >> 586 3.614 1.017 56.570 1 T 1.410e+06 0.00e+00 a 0 - - - >> 587 3.619 0.796 56.696 1 T 1.950e+06 0.00e+00 a 0 - - - >> 588 3.556 -0.103 56.611 1 T 7.850e+05 0.00e+00 a 0 - - - >> 589 3.709 -0.060 56.981 1 T 9.760e+05 0.00e+00 a 0 - - - >> 590 3.616 -0.090 56.576 1 T 2.730e+06 0.00e+00 a 0 - - - >> 591 -0.088 0.806 20.956 1 T 1.000e+07 0.00e+00 a 0 - - - >> 592 -0.088 1.581 21.004 1 T 1.150e+06 0.00e+00 a 0 - - - >> 593 -0.091 1.425 21.036 1 T 1.070e+06 0.00e+00 a 0 - - - >> 594 -0.087 2.248 20.986 1 T 1.570e+06 0.00e+00 a 0 - - - >> 595 -0.087 2.019 20.981 1 T 1.690e+06 0.00e+00 a 0 - - - >> 596 -0.088 1.850 20.951 1 T 5.790e+06 0.00e+00 a 0 - - - >> 597 -0.159 1.827 20.712 1 T 7.060e+05 0.00e+00 a 0 - - - >> 598 -0.086 3.908 20.885 1 T 1.200e+06 0.00e+00 a 0 - - - >> 599 -0.088 3.620 20.941 1 T 5.170e+06 0.00e+00 a 0 - - - >> 600 -0.088 3.438 20.952 1 T 1.980e+06 0.00e+00 a 0 - - - >> 601 -0.091 4.332 21.021 1 T 9.100e+05 0.00e+00 a 0 - - - >> 602 -0.087 4.134 20.935 1 T 6.930e+05 0.00e+00 a 0 - - - >> 603 -0.089 7.844 20.841 1 T 1.570e+06 0.00e+00 a 0 - - - >> 604 -0.088 7.257 20.959 1 T 2.460e+06 0.00e+00 a 0 - - - >> 605 -0.089 6.957 20.905 1 T 2.120e+06 0.00e+00 a 0 - - - >> 606 -0.089 6.833 20.942 1 T 1.510e+06 0.00e+00 a 0 - - - >> 607 -0.092 6.662 20.809 1 T 6.860e+05 0.00e+00 a 0 - - - >> 608 0.807 -0.088 25.767 1 T 6.810e+06 0.00e+00 a 0 - - - >> 609 0.769 0.529 25.756 1 T 7.610e+06 0.00e+00 a 0 - - - >> 610 0.770 2.323 25.780 1 T 4.220e+06 0.00e+00 a 0 - - - >> 611 0.771 1.954 25.793 1 T 7.010e+06 0.00e+00 a 0 - - - >> 612 0.806 1.850 25.848 1 T 7.640e+06 0.00e+00 a 0 - - - >> 613 0.769 1.570 25.827 1 T 6.980e+06 0.00e+00 a 0 - - - >> 614 0.768 1.248 25.792 1 T 2.640e+06 0.00e+00 a 0 - - - >> 615 0.768 3.905 25.841 1 T 2.180e+06 0.00e+00 a 0 - - - >> 616 0.768 4.601 25.748 1 T 2.440e+06 0.00e+00 a 0 - - - >> 617 0.806 4.585 25.857 1 T 1.150e+06 0.00e+00 a 0 - - - >> 618 4.295 2.179 62.642 1 T 1.780e+06 0.00e+00 a 0 - - - >> 619 4.285 2.022 62.624 1 T 1.380e+06 0.00e+00 a 0 - - - >> 620 4.289 1.084 62.672 1 T 3.360e+06 0.00e+00 a 0 - - - >> 621 4.285 0.958 62.645 1 T 2.560e+06 0.00e+00 a 0 - - - >> 622 4.264 4.487 62.643 1 T 9.870e+05 0.00e+00 a 0 - - - >> 623 2.175 3.584 38.438 1 T 8.130e+05 0.00e+00 a 0 - - - >> 624 2.165 4.285 38.365 1 T 8.260e+05 0.00e+00 a 0 - - - >> 625 2.163 7.603 38.503 1 T 8.600e+05 0.00e+00 a 0 - - - >> 626 0.965 0.416 14.660 1 T 6.130e+06 0.00e+00 a 0 - - - >> 627 0.966 0.282 14.659 1 T 2.890e+06 0.00e+00 a 0 - - - >> 628 0.965 1.605 14.662 1 T 8.980e+06 0.00e+00 a 0 - - - >> 629 0.967 1.429 14.654 1 T 2.340e+06 0.00e+00 a 0 - - - >> 630 0.965 2.163 14.659 1 T 6.390e+06 0.00e+00 a 0 - - - >> 631 0.964 2.659 14.663 1 T 2.620e+06 0.00e+00 a 0 - - - >> 632 0.965 2.358 14.656 1 T 4.070e+06 0.00e+00 a 0 - - - >> 633 0.975 3.184 14.634 1 T 9.320e+05 0.00e+00 a 0 - - - >> 634 0.965 3.583 14.664 1 T 8.110e+06 0.00e+00 a 0 - - - >> 635 0.965 3.946 14.654 1 T 4.250e+06 0.00e+00 a 0 - - - >> 636 0.965 4.279 14.658 1 T 2.650e+06 0.00e+00 a 0 - 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- - >>1793 2.951 1.155 61.485 1 T 5.630e+05 0.00e+00 a 0 - - - >>1794 2.953 3.242 61.630 1 T 2.190e+06 0.00e+00 a 0 - - - >>1795 2.960 3.468 61.530 1 T 5.640e+05 0.00e+00 a 0 - - - >>1796 1.662 0.878 41.837 1 T 1.850e+07 0.00e+00 a 0 - - - >>1797 1.665 4.067 41.777 1 T 8.670e+06 0.00e+00 a 0 - - - >>1798 0.869 1.668 24.232 1 T 4.610e+07 0.00e+00 a 0 - - - >>1799 0.865 5.051 24.175 1 T 5.710e+05 0.00e+00 a 0 - - - >>1800 0.872 2.953 24.200 1 T 2.950e+06 0.00e+00 a 0 - - - >>1801 4.098 2.958 57.481 1 T 1.760e+06 0.00e+00 a 0 - - - >>1802 1.312 1.841 43.007 1 T 1.590e+06 0.00e+00 a 0 - - - >>1803 1.288 4.094 42.978 1 T 7.480e+05 0.00e+00 a 0 - - - >>1804 1.866 1.319 42.981 1 T 1.460e+06 0.00e+00 a 0 - - - >>1805 0.734 1.448 26.750 1 T 8.830e+06 0.00e+00 a 0 - - - >>1806 0.734 1.789 26.770 1 T 9.660e+06 0.00e+00 a 0 - - - >>1807 0.734 2.104 26.742 1 T 3.900e+06 0.00e+00 a 0 - - - >>1808 0.736 2.497 26.711 1 T 8.410e+05 0.00e+00 a 0 - - - >>1809 0.733 2.328 26.662 1 T 1.690e+06 0.00e+00 a 0 - 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- - >>1827 0.671 1.843 26.246 1 T 4.340e+06 0.00e+00 a 0 - - - >>1828 0.673 2.080 26.263 1 T 3.350e+06 0.00e+00 a 0 - - - >>1829 0.670 2.496 26.219 1 T 1.650e+06 0.00e+00 a 0 - - - >>1830 0.671 3.238 26.212 1 T 1.760e+06 0.00e+00 a 0 - - - >>1831 0.674 3.862 26.262 1 T 1.730e+06 0.00e+00 a 0 - - - >>1832 0.655 3.993 26.272 1 T 5.670e+05 0.00e+00 a 0 - - - >>1833 0.676 7.007 26.199 1 T 1.090e+06 0.00e+00 a 0 - - - >>1834 4.349 1.860 58.538 1 T 1.720e+06 0.00e+00 a 0 - - - >>1835 2.116 3.867 32.715 1 T 4.430e+06 0.00e+00 a 0 - - - >>1836 2.131 4.308 32.646 1 T 4.250e+06 0.00e+00 a 0 - - - >>1837 2.110 1.003 32.699 1 T 1.310e+07 0.00e+00 a 0 - - - >>1838 1.091 1.671 22.194 1 T 7.140e+06 0.00e+00 a 0 - - - >>1839 1.091 2.118 22.121 1 T 1.730e+07 0.00e+00 a 0 - - - >>1840 1.092 1.833 22.215 1 T 3.080e+06 0.00e+00 a 0 - - - >>1841 1.091 2.488 22.213 1 T 3.230e+06 0.00e+00 a 0 - - - >>1842 1.090 3.853 22.124 1 T 1.310e+07 0.00e+00 a 0 - - - >>1843 1.091 4.329 22.112 1 T 2.540e+06 0.00e+00 a 0 - - - >>1844 1.001 2.651 21.229 1 T 3.400e+06 0.00e+00 a 0 - - - >>1845 1.001 3.475 21.244 1 T 3.280e+06 0.00e+00 a 0 - - - >>1846 0.950 5.097 21.461 1 T 5.870e+05 0.00e+00 a 0 - - - >>1847 4.320 2.207 58.269 1 T 9.480e+06 0.00e+00 a 0 - - - >>1848 4.315 1.002 58.263 1 T 1.820e+06 0.00e+00 a 0 - - - >>1849 2.503 1.568 37.065 1 T 1.240e+06 0.00e+00 a 0 - - - >>1850 2.479 4.297 37.002 1 T 2.360e+06 0.00e+00 a 0 - - - >>1851 4.494 2.466 54.631 1 T 2.340e+06 0.00e+00 a 0 - - - >>1852 4.494 2.134 54.552 1 T 2.980e+06 0.00e+00 a 0 - - - >>1853 2.155 3.632 28.568 1 T 1.820e+06 0.00e+00 a 0 - - - >>1854 2.220 3.635 28.508 1 T 1.860e+06 0.00e+00 a 0 - - - >>1855 2.224 4.482 28.597 1 T 2.280e+06 0.00e+00 a 0 - - - >>1856 2.157 4.481 28.494 1 T 2.880e+06 0.00e+00 a 0 - - - >>1857 2.166 7.007 28.524 1 T 7.680e+05 0.00e+00 a 0 - - - >>1858 2.163 7.365 28.421 1 T 8.220e+05 0.00e+00 a 0 - - - >>1859 2.459 2.126 28.519 1 T 3.170e+06 0.00e+00 a 0 - - - >>1860 2.467 0.900 28.549 1 T 9.710e+05 0.00e+00 a 0 - - - >>1861 2.457 4.499 28.511 1 T 1.370e+06 0.00e+00 a 0 - - - >>1862 2.244 0.903 33.523 1 T 3.620e+06 0.00e+00 a 0 - - - >>1863 2.236 0.758 33.489 1 T 2.190e+06 0.00e+00 a 0 - - - >>1864 2.259 2.051 33.688 1 T 1.330e+07 0.00e+00 a 0 - - - >>1865 2.260 1.908 33.679 1 T 9.640e+06 0.00e+00 a 0 - - - >>1866 2.259 4.264 33.667 1 T 5.760e+06 0.00e+00 a 0 - - - >>1867 2.264 3.910 33.707 1 T 1.550e+06 0.00e+00 a 0 - - - >>1868 4.176 3.190 56.364 1 T 2.740e+06 0.00e+00 a 0 - - - >>1869 4.174 1.950 56.325 1 T 7.010e+06 0.00e+00 a 0 - - - >>1870 4.179 1.516 56.026 1 T 1.130e+07 0.00e+00 a 0 - - - >>1871 3.185 7.283 43.290 1 T 8.910e+05 0.00e+00 a 0 - - - >>1872 3.185 6.946 43.308 1 T 2.050e+06 0.00e+00 a 0 - - - >>1873 3.183 5.032 43.262 1 T 1.350e+06 0.00e+00 a 0 - - - >>1874 1.564 3.186 27.306 1 T 9.260e+06 0.00e+00 a 0 - - - >>1875 1.562 4.173 27.372 1 T 6.140e+06 0.00e+00 a 0 - - - >>1876 4.718 3.898 53.233 1 T 3.130e+06 0.00e+00 a 0 - - - >>1877 4.720 3.708 53.256 1 T 2.790e+06 0.00e+00 a 0 - - - >>1878 4.718 2.544 53.247 1 T 2.630e+06 0.00e+00 a 0 - - - >>1879 4.721 1.862 53.279 1 T 2.110e+06 0.00e+00 a 0 - - - >>1880 4.720 1.672 53.286 1 T 1.570e+06 0.00e+00 a 0 - - - >>1881 4.722 2.065 53.253 1 T 2.300e+06 0.00e+00 a 0 - - - >>1882 4.709 0.889 53.282 1 T 7.190e+05 0.00e+00 a 0 - - - >>1883 1.687 0.728 33.905 1 T 8.580e+05 0.00e+00 a 0 - - - >>1884 1.686 0.888 33.988 1 T 1.750e+06 0.00e+00 a 0 - - - >>1885 1.675 1.860 34.043 1 T 4.400e+06 0.00e+00 a 0 - - - >>1886 1.679 2.093 33.980 1 T 2.180e+06 0.00e+00 a 0 - - - >>1887 1.676 2.530 34.053 1 T 3.090e+06 0.00e+00 a 0 - - - >>1888 1.675 4.724 33.997 1 T 1.280e+06 0.00e+00 a 0 - - - >>1889 1.860 2.530 34.005 1 T 3.260e+06 0.00e+00 a 0 - - - >>1890 1.868 3.686 34.088 1 T 8.450e+05 0.00e+00 a 0 - - - >>1891 1.863 4.357 33.913 1 T 9.790e+05 0.00e+00 a 0 - - - >>1892 1.860 4.722 34.017 1 T 1.460e+06 0.00e+00 a 0 - - - >>1893 2.092 0.706 17.634 1 T 6.750e+06 0.00e+00 a 0 - - - >>1894 2.092 0.909 17.618 1 T 1.430e+07 0.00e+00 a 0 - - - >>1895 2.090 1.344 17.636 1 T 2.630e+06 0.00e+00 a 0 - - - >>1896 2.094 1.683 17.628 1 T 6.780e+06 0.00e+00 a 0 - - - >>1897 2.092 1.840 17.604 1 T 1.390e+07 0.00e+00 a 0 - - - >>1898 2.093 2.525 17.645 1 T 1.550e+07 0.00e+00 a 0 - - - >>1899 2.093 2.955 17.641 1 T 2.610e+06 0.00e+00 a 0 - - - >>1900 2.092 3.239 17.633 1 T 3.380e+06 0.00e+00 a 0 - - - >>1901 2.093 3.694 17.640 1 T 2.260e+06 0.00e+00 a 0 - - - >>1902 2.092 3.897 17.607 1 T 3.740e+06 0.00e+00 a 0 - - - >>1903 2.093 4.144 17.602 1 T 4.410e+06 0.00e+00 a 0 - - - >>1904 2.095 4.313 17.506 1 T 2.670e+06 0.00e+00 a 0 - - - >>1905 2.092 4.482 17.611 1 T 3.570e+06 0.00e+00 a 0 - - - >>1906 2.055 4.761 17.356 1 T 5.930e+05 0.00e+00 a 0 - - - >>1907 2.093 4.725 17.584 1 T 2.430e+06 0.00e+00 a 0 - - - >>1908 2.092 7.371 17.641 1 T 2.740e+06 0.00e+00 a 0 - - - >>1909 2.092 6.999 17.627 1 T 2.100e+06 0.00e+00 a 0 - - - >>1910 2.092 6.666 17.547 1 T 7.420e+05 0.00e+00 a 0 - - - >>1911 2.548 1.683 31.961 1 T 3.800e+06 0.00e+00 a 0 - - - >>1912 2.536 1.852 31.927 1 T 4.830e+06 0.00e+00 a 0 - - - >>1913 2.538 2.096 31.949 1 T 5.280e+06 0.00e+00 a 0 - - - >>1914 2.552 3.706 31.965 1 T 1.450e+06 0.00e+00 a 0 - - - >>1915 2.544 3.889 32.015 1 T 1.770e+06 0.00e+00 a 0 - - - >>1916 2.540 4.149 31.911 1 T 9.520e+05 0.00e+00 a 0 - - - >>1917 2.550 4.722 31.969 1 T 2.350e+06 0.00e+00 a 0 - - - >>1918 2.553 0.905 31.940 1 T 2.990e+06 0.00e+00 a 0 - - - >>1919 2.551 0.735 31.941 1 T 1.350e+06 0.00e+00 a 0 - - - >>1920 4.515 3.720 62.854 1 T 1.240e+06 0.00e+00 a 0 - - - >>1921 4.516 2.283 63.471 1 T 8.270e+06 0.00e+00 a 0 - - - >>1922 4.515 1.984 63.303 1 T 9.900e+06 0.00e+00 a 0 - - - >>1923 4.514 0.901 62.851 1 T 2.430e+06 0.00e+00 a 0 - - - >>1924 1.963 4.497 31.902 1 T 7.660e+06 0.00e+00 a 0 - - - >>1925 2.212 1.981 31.546 1 T 1.050e+07 0.00e+00 a 0 - - - >>1926 2.211 3.707 31.648 1 T 1.610e+06 0.00e+00 a 0 - - - >>1927 2.213 4.506 31.562 1 T 4.570e+06 0.00e+00 a 0 - - - >>1928 3.704 2.540 50.696 1 T 1.760e+06 0.00e+00 a 0 - - - >>1929 3.942 2.381 50.509 1 T 1.470e+06 0.00e+00 a 0 - - - >>1930 4.125 2.481 61.583 1 T 1.010e+06 0.00e+00 a 0 - - - >>1931 4.132 2.008 61.596 1 T 5.390e+06 0.00e+00 a 0 - - - >>1932 4.131 0.898 61.598 1 T 1.160e+07 0.00e+00 a 0 - - - >>1933 4.137 4.504 61.524 1 T 1.080e+06 0.00e+00 a 0 - - - >>1934 2.006 0.902 33.276 1 T 1.820e+07 0.00e+00 a 0 - - - >>1935 2.006 4.130 33.264 1 T 4.850e+06 0.00e+00 a 0 - - - >>1936 2.013 7.356 33.236 1 T 7.390e+05 0.00e+00 a 0 - - - >>1937 2.005 6.984 32.922 1 T 6.980e+05 0.00e+00 a 0 - - - >>1938 0.906 1.851 21.384 1 T 4.390e+06 0.00e+00 a 0 - - - >>1939 0.906 2.008 21.435 1 T 2.190e+07 0.00e+00 a 0 - - - >>1940 0.905 2.500 21.390 1 T 4.370e+06 0.00e+00 a 0 - - - >>1941 0.906 2.957 21.397 1 T 2.030e+06 0.00e+00 a 0 - - - >>1942 0.905 3.240 21.433 1 T 1.870e+06 0.00e+00 a 0 - - - >>1943 0.908 3.699 21.276 1 T 1.440e+06 0.00e+00 a 0 - - - >>1944 0.906 3.894 21.407 1 T 3.490e+06 0.00e+00 a 0 - - - >>1945 0.905 4.502 21.402 1 T 2.280e+06 0.00e+00 a 0 - - - >>1946 0.906 4.802 21.425 1 T 9.150e+05 0.00e+00 a 0 - - - >>1947 0.909 6.999 21.491 1 T 1.670e+06 0.00e+00 a 0 - - - >>1948 0.909 7.366 21.515 1 T 2.480e+06 0.00e+00 a 0 - - - >>1949 0.907 1.703 21.389 1 T 2.860e+06 0.00e+00 a 0 - - - >>1950 0.887 0.655 20.950 1 T 3.270e+06 0.00e+00 a 0 - - - >>1951 0.888 1.684 20.899 1 T 3.010e+06 0.00e+00 a 0 - - - >>1952 0.889 1.858 20.885 1 T 4.560e+06 0.00e+00 a 0 - - - >>1953 0.889 2.007 20.923 1 T 1.850e+07 0.00e+00 a 0 - - - >>1954 0.888 2.233 20.906 1 T 6.370e+06 0.00e+00 a 0 - - - >>1955 0.888 2.501 20.868 1 T 5.200e+06 0.00e+00 a 0 - - - >>1956 0.890 2.964 20.908 1 T 1.900e+06 0.00e+00 a 0 - - - >>1957 0.888 3.235 20.874 1 T 1.910e+06 0.00e+00 a 0 - - - >>1958 0.892 3.701 20.836 1 T 1.310e+06 0.00e+00 a 0 - - - >>1959 0.892 3.887 21.026 1 T 3.180e+06 0.00e+00 a 0 - - - >>1960 4.865 3.947 56.731 1 T 1.750e+07 0.00e+00 a 0 - - - >>1961 4.864 4.087 56.734 1 T 7.750e+06 0.00e+00 a 0 - - - >>1962 4.865 2.085 56.685 1 T 2.930e+06 0.00e+00 a 0 - - - >>1963 3.962 4.863 62.975 1 T 6.910e+06 0.00e+00 a 0 - - - >>1964 3.962 4.085 62.954 1 T 2.560e+07 0.00e+00 a 0 - - - >>1965 3.964 2.069 62.949 1 T 2.020e+06 0.00e+00 a 0 - - - >>1966 4.519 3.866 63.336 1 T 1.650e+06 0.00e+00 a 0 - - - >>1967 1.963 2.283 32.020 1 T 1.360e+07 0.00e+00 a 0 - - - >>1968 2.295 3.851 32.081 1 T 2.400e+06 0.00e+00 a 0 - - - >>1969 2.293 4.512 32.059 1 T 5.750e+06 0.00e+00 a 0 - - - >>1970 3.807 4.308 50.886 1 T 9.490e+05 0.00e+00 a 0 - - - >>1971 3.805 2.271 50.851 1 T 1.310e+06 0.00e+00 a 0 - - - >>1972 3.795 4.509 50.834 1 T 9.710e+05 0.00e+00 a 0 - - - >>1973 3.869 4.474 50.708 1 T 2.040e+06 0.00e+00 a 0 - - - >>1974 4.164 7.348 61.520 1 T 9.540e+05 0.00e+00 a 0 - - - >>1975 4.165 6.735 61.631 1 T 7.590e+05 0.00e+00 a 0 - - - >>1976 0.741 1.140 13.078 1 T 1.030e+07 0.00e+00 a 0 - - - >>1977 0.740 1.397 13.075 1 T 1.180e+07 0.00e+00 a 0 - - - >>1978 0.740 1.850 13.096 1 T 7.300e+06 0.00e+00 a 0 - - - >>1979 0.744 1.666 13.207 1 T 2.460e+06 0.00e+00 a 0 - - - >>1980 0.740 2.252 13.074 1 T 1.580e+06 0.00e+00 a 0 - - - >>1981 0.735 2.524 13.079 1 T 8.380e+05 0.00e+00 a 0 - - - >>1982 0.741 2.955 13.177 1 T 1.140e+06 0.00e+00 a 0 - - - >>1983 0.742 3.323 13.172 1 T 7.830e+05 0.00e+00 a 0 - - - >>1984 0.739 3.679 13.136 1 T 1.560e+06 0.00e+00 a 0 - - - >>1985 0.741 3.879 13.109 1 T 2.270e+06 0.00e+00 a 0 - - - >>1986 0.740 4.167 13.092 1 T 4.110e+06 0.00e+00 a 0 - - - >>1987 0.739 4.470 13.164 1 T 7.620e+05 0.00e+00 a 0 - - - >>1988 0.738 6.963 13.019 1 T 1.130e+06 0.00e+00 a 0 - - - >>1989 0.745 7.263 13.148 1 T 8.760e+05 0.00e+00 a 0 - - - >>1990 1.141 1.395 27.465 1 T 1.310e+07 0.00e+00 a 0 - - - >>1991 1.141 0.857 27.469 1 T 4.770e+06 0.00e+00 a 0 - - - >>1992 1.141 0.745 27.432 1 T 5.600e+06 0.00e+00 a 0 - - - >>1993 1.140 1.850 27.425 1 T 3.060e+06 0.00e+00 a 0 - - - >>1994 1.131 1.992 27.430 1 T 1.330e+06 0.00e+00 a 0 - - - >>1995 1.141 3.923 27.357 1 T 8.160e+05 0.00e+00 a 0 - - - >>1996 1.135 3.765 27.650 1 T 6.350e+05 0.00e+00 a 0 - - - >>1997 1.144 4.170 27.465 1 T 1.930e+06 0.00e+00 a 0 - - - >>1998 1.393 1.141 27.468 1 T 1.360e+07 0.00e+00 a 0 - - - >>1999 1.394 0.747 27.476 1 T 6.600e+06 0.00e+00 a 0 - - - >>2000 1.395 0.852 27.442 1 T 5.330e+06 0.00e+00 a 0 - - - >>2001 1.393 1.850 27.445 1 T 4.540e+06 0.00e+00 a 0 - - - >>2002 1.392 1.987 27.484 1 T 1.950e+06 0.00e+00 a 0 - - - >>2003 1.398 3.882 27.536 1 T 1.090e+06 0.00e+00 a 0 - - - >>2004 1.389 4.171 27.452 1 T 2.250e+06 0.00e+00 a 0 - - - >>2005 0.861 1.402 17.549 1 T 8.180e+06 0.00e+00 a 0 - - - >>2006 0.862 1.121 17.684 1 T 1.170e+07 0.00e+00 a 0 - - - >>2007 0.861 2.948 17.502 1 T 1.180e+06 0.00e+00 a 0 - - - >>2008 0.863 3.642 17.706 1 T 2.110e+06 0.00e+00 a 0 - - - >>2009 0.860 4.456 17.477 1 T 1.580e+06 0.00e+00 a 0 - - - >>2010 0.859 6.976 17.586 1 T 1.040e+06 0.00e+00 a 0 - - - >>2011 4.435 3.887 58.217 1 T 1.390e+07 0.00e+00 a 0 - - - >>2012 4.436 1.436 58.158 1 T 1.690e+06 0.00e+00 a 0 - - - >>2013 4.432 0.871 58.374 1 T 1.290e+06 0.00e+00 a 0 - - - >>2014 3.876 1.444 63.489 1 T 1.710e+06 0.00e+00 a 0 - - - >>2015 3.874 4.436 63.512 1 T 8.500e+06 0.00e+00 a 0 - - - >>2016 3.897 4.436 63.516 1 T 8.570e+06 0.00e+00 a 0 - - - >>2017 3.914 4.815 63.507 1 T 8.420e+06 0.00e+00 a 0 - - - >>2018 3.902 7.373 63.436 1 T 9.580e+05 0.00e+00 a 0 - - - >>2019 3.910 0.886 63.506 1 T 2.740e+06 0.00e+00 a 0 - - - >>2020 3.899 -0.082 63.381 1 T 6.710e+05 0.00e+00 a 0 - - - >>2021 4.262 6.957 56.112 1 T 7.860e+05 0.00e+00 a 0 - - - >>2022 4.263 7.266 56.182 1 T 5.530e+05 0.00e+00 a 0 - - - >>2023 2.049 6.959 29.093 1 T 8.580e+05 0.00e+00 a 0 - - - >>2024 2.044 7.624 28.853 1 T 7.240e+05 0.00e+00 a 0 - - - >>2025 1.908 2.247 29.017 1 T 1.000e+07 0.00e+00 a 0 - - - >>2026 1.904 4.255 28.960 1 T 3.730e+06 0.00e+00 a 0 - - - >>2027 1.826 1.546 28.902 1 T 7.710e+06 0.00e+00 a 0 - - - >>2028 1.821 1.695 28.944 1 T 2.020e+07 0.00e+00 a 0 - - - >>2029 2.255 -0.084 33.602 1 T 8.490e+05 0.00e+00 a 0 - - - >>2030 2.251 7.275 33.648 1 T 6.320e+05 0.00e+00 a 0 - - - >>2031 3.017 3.652 45.168 1 T 4.490e+06 0.00e+00 a 0 - - - >>2032 3.646 3.015 45.136 1 T 6.200e+06 0.00e+00 a 0 - - - >>2033 4.277 1.448 53.653 1 T 1.690e+07 0.00e+00 a 0 - - - >>2034 1.442 0.730 18.675 1 T 1.560e+07 0.00e+00 a 0 - - - >>2035 1.444 4.275 18.984 1 T 2.670e+07 0.00e+00 a 0 - - - >>2036 1.443 3.881 18.913 1 T 3.550e+06 0.00e+00 a 0 - - - >>2037 1.446 4.602 18.943 1 T 1.960e+06 0.00e+00 a 0 - - - >>2038 1.451 7.273 18.871 1 T 5.990e+05 0.00e+00 a 0 - - - >>2039 4.614 2.469 58.463 1 T 1.030e+06 0.00e+00 a 0 - - - >>2040 4.620 1.446 58.368 1 T 1.420e+06 0.00e+00 a 0 - - - >>2041 4.557 2.185 58.523 1 T 1.140e+06 0.00e+00 a 0 - - - >>2042 4.612 4.164 58.446 1 T 5.410e+06 0.00e+00 a 0 - - - >>2043 4.613 4.015 58.459 1 T 4.990e+06 0.00e+00 a 0 - - - >>2044 4.015 2.212 63.742 1 T 1.770e+06 0.00e+00 a 0 - - - >>2045 4.006 2.467 63.689 1 T 9.510e+05 0.00e+00 a 0 - - - >>2046 4.013 4.162 63.703 1 T 1.310e+07 0.00e+00 a 0 - - - >>2047 4.014 4.609 63.714 1 T 5.130e+06 0.00e+00 a 0 - - - >>2048 4.167 2.206 63.553 1 T 1.820e+06 0.00e+00 a 0 - - - >>2049 4.170 2.459 63.662 1 T 8.430e+05 0.00e+00 a 0 - - - >>2050 4.161 1.445 63.626 1 T 7.920e+05 0.00e+00 a 0 - - - >>2051 4.164 4.605 63.702 1 T 5.060e+06 0.00e+00 a 0 - - - >>2052 4.163 4.019 63.692 1 T 1.300e+07 0.00e+00 a 0 - - - >>2053 4.562 3.189 58.825 1 T 1.960e+06 0.00e+00 a 0 - - - >>2054 4.559 7.030 58.802 1 T 2.280e+06 0.00e+00 a 0 - - - >>2055 4.564 1.960 58.725 1 T 1.380e+06 0.00e+00 a 0 - - - >>2056 4.560 1.590 58.808 1 T 1.340e+06 0.00e+00 a 0 - - - >>2057 4.569 2.522 58.809 1 T 7.780e+05 0.00e+00 a 0 - - - >>2058 3.221 4.543 28.660 1 T 7.510e+05 0.00e+00 a 0 - - - >>2059 4.277 2.693 55.658 1 T 2.990e+06 0.00e+00 a 0 - - - >>2060 1.523 5.099 17.838 1 T 6.110e+05 0.00e+00 a 0 - - - >>2061 4.146 2.957 58.906 1 T 2.250e+06 0.00e+00 a 0 - - - >>2062 4.145 2.765 59.150 1 T 2.490e+06 0.00e+00 a 0 - - - >>2063 4.134 2.451 58.986 1 T 9.050e+06 0.00e+00 a 0 - - - >>2064 4.135 2.210 58.891 1 T 1.420e+07 0.00e+00 a 0 - - - >>2065 3.846 2.483 58.862 1 T 2.880e+06 0.00e+00 a 0 - - - >>2066 3.851 2.189 58.913 1 T 5.010e+06 0.00e+00 a 0 - - - >>2067 2.509 3.858 36.249 1 T 1.480e+06 0.00e+00 a 0 - - - >>2068 4.539 2.938 57.119 1 T 2.880e+06 0.00e+00 a 0 - - - >>2069 4.533 2.691 57.184 1 T 2.170e+06 0.00e+00 a 0 - - - >>2070 4.533 1.444 57.268 1 T 9.610e+05 0.00e+00 a 0 - - - >>2071 4.535 0.997 57.580 1 T 2.700e+06 0.00e+00 a 0 - - - >>2072 2.671 0.795 39.818 1 T 1.080e+06 0.00e+00 a 0 - - - >>2073 2.633 4.548 40.041 1 T 5.600e+05 0.00e+00 a 0 - - - >>2074 2.214 4.874 28.391 1 T 5.650e+05 0.00e+00 a 0 - - - >>2075 2.522 2.222 33.996 1 T 2.370e+07 0.00e+00 a 0 - - - >>2076 2.540 1.428 33.809 1 T 1.070e+06 0.00e+00 a 0 - - - >>2077 2.526 2.955 33.966 1 T 1.520e+06 0.00e+00 a 0 - - - >>2078 2.180 4.861 27.982 1 T 1.420e+06 0.00e+00 a 0 - - - >>2079 2.133 2.734 40.511 1 T 8.730e+05 0.00e+00 a 0 - - - >>2080 2.090 2.728 40.471 1 T 5.720e+05 0.00e+00 a 0 - - - >>2081 2.120 4.094 40.513 1 T 1.000e+06 0.00e+00 a 0 - - - >>2082 1.419 0.974 19.117 1 T 4.200e+06 0.00e+00 a 0 - - - >>2083 1.418 2.769 19.172 1 T 1.910e+06 0.00e+00 a 0 - - - >>2084 1.445 2.983 18.990 1 T 1.680e+06 0.00e+00 a 0 - - - >>2085 1.443 3.429 18.983 1 T 7.990e+05 0.00e+00 a 0 - - - >>2086 1.416 3.403 19.150 1 T 8.370e+05 0.00e+00 a 0 - - - >>2087 1.420 3.957 19.154 1 T 4.350e+06 0.00e+00 a 0 - - - >>2088 4.468 2.240 57.528 1 T 2.930e+06 0.00e+00 a 0 - - - >>2089 2.955 2.753 40.687 1 T 1.580e+07 0.00e+00 a 0 - - - >>2090 2.954 4.172 40.721 1 T 3.500e+06 0.00e+00 a 0 - - - >>2091 2.959 4.468 40.660 1 T 5.050e+06 0.00e+00 a 0 - - - >>2092 4.115 3.269 59.766 1 T 2.890e+06 0.00e+00 a 0 - - - >>2093 4.104 2.744 59.748 1 T 1.630e+06 0.00e+00 a 0 - - - >>2094 2.309 1.684 36.509 1 T 2.450e+06 0.00e+00 a 0 - - - >>2095 2.306 2.982 36.551 1 T 1.960e+06 0.00e+00 a 0 - - - >>2096 2.306 3.245 36.459 1 T 9.720e+05 0.00e+00 a 0 - - - >>2097 2.303 4.094 36.517 1 T 1.060e+07 0.00e+00 a 0 - - - >>2098 2.546 2.304 36.599 1 T 1.630e+07 0.00e+00 a 0 - - - >>2099 2.541 2.121 36.576 1 T 6.300e+06 0.00e+00 a 0 - - - >>2100 2.541 1.668 36.551 1 T 1.670e+06 0.00e+00 a 0 - - - >>2101 2.538 1.416 36.670 1 T 1.210e+06 0.00e+00 a 0 - - - >>2102 2.547 4.101 36.606 1 T 3.560e+06 0.00e+00 a 0 - - - >>2103 4.768 4.264 57.715 1 T 9.150e+05 0.00e+00 a 0 - - - >>2104 4.753 4.247 57.716 1 T 9.300e+05 0.00e+00 a 0 - - - >>2105 4.757 3.147 57.845 1 T 8.000e+05 0.00e+00 a 0 - - - >>2106 4.762 2.811 57.818 1 T 2.560e+06 0.00e+00 a 0 - - - >>2107 4.762 1.690 57.794 1 T 3.410e+06 0.00e+00 a 0 - - - >>2108 4.227 1.006 60.068 1 T 1.160e+06 0.00e+00 a 0 - - - >>2109 4.239 0.761 60.072 1 T 7.690e+05 0.00e+00 a 0 - - - >>2110 1.952 0.776 27.022 1 T 5.480e+06 0.00e+00 a 0 - - - >>2111 1.937 3.400 27.026 1 T 2.330e+06 0.00e+00 a 0 - - - >>2112 1.951 7.243 27.044 1 T 6.190e+05 0.00e+00 a 0 - - - >>2113 2.022 1.676 30.202 1 T 8.380e+06 0.00e+00 a 0 - - - >>2114 1.916 0.943 27.440 1 T 3.890e+06 0.00e+00 a 0 - - - >>2115 1.692 2.123 18.016 1 T 3.850e+06 0.00e+00 a 0 - - - >>2116 1.690 1.929 18.100 1 T 3.030e+06 0.00e+00 a 0 - - - >>2117 1.690 2.543 18.047 1 T 9.810e+05 0.00e+00 a 0 - - - >>2118 1.691 2.711 18.115 1 T 1.950e+06 0.00e+00 a 0 - - - >>2119 1.691 3.216 18.034 1 T 1.280e+06 0.00e+00 a 0 - - - >>2120 1.691 4.213 18.078 1 T 1.680e+07 0.00e+00 a 0 - - - >>2121 1.691 4.758 18.109 1 T 4.290e+06 0.00e+00 a 0 - - - >>2122 4.399 3.205 59.946 1 T 3.760e+06 0.00e+00 a 0 - - - >>2123 4.398 1.799 60.041 1 T 1.820e+06 0.00e+00 a 0 - - - >>2124 4.395 1.675 60.046 1 T 1.900e+06 0.00e+00 a 0 - - - >>2125 3.234 4.394 39.942 1 T 8.390e+05 0.00e+00 a 0 - - - >>2126 3.254 7.001 39.987 1 T 1.330e+06 0.00e+00 a 0 - - - >>2127 3.766 7.000 57.893 1 T 1.040e+06 0.00e+00 a 0 - - - >>2128 2.484 3.776 34.327 1 T 3.700e+06 0.00e+00 a 0 - - - >>2129 2.487 7.008 34.313 1 T 1.260e+06 0.00e+00 a 0 - - - >>2130 2.694 2.485 34.347 1 T 1.160e+07 0.00e+00 a 0 - - - >>2131 2.694 2.212 34.334 1 T 3.930e+06 0.00e+00 a 0 - - - >>2132 2.699 3.165 34.121 1 T 8.940e+05 0.00e+00 a 0 - - - >>2133 2.692 3.768 34.374 1 T 1.920e+06 0.00e+00 a 0 - - - >>2134 2.692 4.112 34.309 1 T 9.480e+05 0.00e+00 a 0 - - - >>2135 2.697 7.004 34.320 1 T 1.210e+06 0.00e+00 a 0 - - - >>2136 4.314 2.159 56.291 1 T 9.330e+06 0.00e+00 a 0 - - - >>2137 4.314 3.965 56.480 1 T 1.640e+06 0.00e+00 a 0 - - - >>2138 4.261 3.972 56.250 1 T 2.420e+06 0.00e+00 a 0 - - - >>2139 2.665 2.160 32.156 1 T 6.510e+06 0.00e+00 a 0 - - - >>2140 2.663 4.313 32.112 1 T 3.050e+06 0.00e+00 a 0 - - - >>2141 2.743 3.247 31.958 1 T 7.040e+05 0.00e+00 a 0 - - - >>2142 4.218 2.208 55.500 1 T 9.260e+06 0.00e+00 a 0 - - - >>2143 1.493 0.952 42.173 1 T 6.380e+06 0.00e+00 a 0 - - - >>2144 1.494 1.656 42.161 1 T 1.340e+07 0.00e+00 a 0 - - - >>2145 1.494 3.443 42.135 1 T 5.110e+05 0.00e+00 a 0 - - - >>2146 1.493 4.224 42.170 1 T 3.750e+06 0.00e+00 a 0 - - - >>2147 1.653 1.497 42.151 1 T 1.510e+07 0.00e+00 a 0 - - - >>2148 1.655 4.220 42.150 1 T 4.250e+06 0.00e+00 a 0 - - - >>2149 1.726 1.521 30.317 1 T 1.460e+07 0.00e+00 a 0 - - - >>2150 1.670 4.182 30.355 1 T 5.320e+06 0.00e+00 a 0 - - - >>2151 1.727 4.183 30.385 1 T 5.650e+06 0.00e+00 a 0 - - - >>2152 1.508 3.056 26.703 1 T 8.660e+06 0.00e+00 a 0 - - - >>2153 1.521 4.182 26.787 1 T 4.190e+06 0.00e+00 a 0 - - - >>2154 1.511 1.678 26.707 1 T 2.610e+07 0.00e+00 a 0 - - - >>2155 4.386 1.898 55.604 1 T 9.190e+06 0.00e+00 a 0 - - - >>2156 1.713 1.895 30.936 1 T 2.950e+07 0.00e+00 a 0 - - - >>2157 1.714 3.169 30.896 1 T 2.660e+06 0.00e+00 a 0 - - - >>2158 1.714 4.383 30.922 1 T 3.370e+06 0.00e+00 a 0 - - - >>2159 1.900 1.714 30.916 1 T 3.240e+07 0.00e+00 a 0 - - - >>2160 3.166 1.604 43.183 1 T 2.290e+07 0.00e+00 a 0 - - - >>2161 3.161 4.179 43.138 1 T 3.900e+06 0.00e+00 a 0 - - - >>2162 4.365 2.637 55.642 1 T 6.910e+06 0.00e+00 a 0 - - - >>2163 4.387 1.689 55.623 1 T 8.080e+06 0.00e+00 a 0 - - - >>2164 2.573 4.364 42.150 1 T 2.950e+06 0.00e+00 a 0 - - - >>2165 2.652 4.367 42.140 1 T 3.190e+06 0.00e+00 a 0 - - - >>2166 2.123 0.907 16.993 1 T 4.310e+06 0.00e+00 a 0 - - - >>2167 2.126 1.579 16.945 1 T 4.260e+06 0.00e+00 a 0 - - - >>2168 2.131 1.769 16.952 1 T 6.230e+06 0.00e+00 a 0 - - - >>2169 2.132 2.486 16.971 1 T 6.320e+06 0.00e+00 a 0 - - - >>2170 2.123 2.753 16.945 1 T 5.760e+06 0.00e+00 a 0 - - - >>2171 2.124 2.942 16.983 1 T 3.060e+06 0.00e+00 a 0 - - - >>2172 2.127 2.598 16.994 1 T 6.390e+06 0.00e+00 a 0 - - - >>2173 2.121 3.914 16.997 1 T 1.580e+06 0.00e+00 a 0 - - - >>2174 2.118 4.287 16.927 1 T 4.060e+06 0.00e+00 a 0 - - - >>2175 2.124 4.486 16.988 1 T 3.120e+06 0.00e+00 a 0 - - - >>2176 2.124 4.724 17.004 1 T 8.900e+05 0.00e+00 a 0 - - - >>2177 4.111 7.255 58.257 1 T 1.630e+06 0.00e+00 a 0 - - - >>2178 2.231 4.064 36.606 1 T 5.640e+06 0.00e+00 a 0 - - - >>2179 2.226 2.464 36.578 1 T 1.560e+07 0.00e+00 a 0 - - - >>2180 2.227 1.670 36.673 1 T 1.620e+06 0.00e+00 a 0 - - - >>2181 3.289 4.426 30.727 1 T 2.170e+06 0.00e+00 a 0 - - - >>2182 3.299 4.572 30.664 1 T 1.220e+06 0.00e+00 a 0 - - - >>2183 3.237 2.881 30.590 1 T 1.300e+06 0.00e+00 a 0 - 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- - >>2626 2.273 6.980 33.773 1 T 7.280e+05 0.00e+00 a 0 - - - >>2627 4.165 1.577 63.528 1 T 6.110e+05 0.00e+00 a 0 - - - >>2628 4.532 0.818 56.868 1 T 1.080e+06 0.00e+00 a 0 - - - >>2629 2.927 0.594 39.725 1 T 6.210e+05 0.00e+00 a 0 - - - >>2630 4.469 3.381 57.487 1 T 1.060e+06 0.00e+00 a 0 - - - >>2631 4.474 3.272 57.546 1 T 1.110e+06 0.00e+00 a 0 - - - >>2632 2.302 7.222 29.302 1 T 6.040e+05 0.00e+00 a 0 - - - >>2633 2.306 2.542 36.581 1 T 1.400e+07 0.00e+00 a 0 - - - >>2634 2.548 2.977 36.602 1 T 1.210e+06 0.00e+00 a 0 - - - >>2635 2.537 3.250 36.674 1 T 6.580e+05 0.00e+00 a 0 - - - >>2636 4.760 3.752 57.875 1 T 8.250e+05 0.00e+00 a 0 - - - >>2637 3.056 6.967 43.207 1 T 1.370e+06 0.00e+00 a 0 - - - >>2638 1.940 2.691 27.051 1 T 7.970e+05 0.00e+00 a 0 - - - >>2639 1.688 0.945 18.158 1 T 6.980e+05 0.00e+00 a 0 - - - >>2640 1.693 3.744 18.206 1 T 5.810e+05 0.00e+00 a 0 - - - >>2641 2.477 3.211 34.180 1 T 1.240e+06 0.00e+00 a 0 - - - >>2642 2.484 1.666 34.128 1 T 1.770e+06 0.00e+00 a 0 - - - >>2643 2.190 0.791 32.363 1 T 1.630e+06 0.00e+00 a 0 - - - >>2644 2.183 1.701 32.413 1 T 3.020e+06 0.00e+00 a 0 - - - >>2645 2.187 3.599 32.306 1 T 1.490e+06 0.00e+00 a 0 - - - >>2646 1.487 4.397 42.275 1 T 9.630e+05 0.00e+00 a 0 - - - >>2647 1.513 3.441 26.793 1 T 7.240e+05 0.00e+00 a 0 - - - >>2648 4.385 3.174 55.594 1 T 3.560e+06 0.00e+00 a 0 - - - >>2649 4.358 0.873 55.711 1 T 6.460e+05 0.00e+00 a 0 - - - >>2650 2.582 4.591 41.640 1 T 3.360e+06 0.00e+00 a 0 - - - >>2651 0.779 6.807 23.882 1 T 7.770e+05 0.00e+00 a 0 - - - >>2652 2.367 3.935 31.864 1 T 2.770e+06 0.00e+00 a 0 - - - >>2653 3.950 4.864 50.605 1 T 6.280e+06 0.00e+00 a 0 - - - >>2654 3.946 4.457 50.728 1 T 2.240e+06 0.00e+00 a 0 - - - >>2655 4.452 3.935 65.223 1 T 2.730e+06 0.00e+00 a 0 - - - >>2656 4.453 2.954 65.209 1 T 2.820e+06 0.00e+00 a 0 - - - >>2657 4.452 2.827 65.221 1 T 2.170e+06 0.00e+00 a 0 - - - >>2658 4.453 2.374 65.204 1 T 7.900e+06 0.00e+00 a 0 - - - >>2659 4.454 2.030 65.207 1 T 7.620e+06 0.00e+00 a 0 - - - >>2660 3.674 7.536 62.603 1 T 7.790e+05 0.00e+00 a 0 - - - >>2661 3.798 7.526 62.537 1 T 6.600e+05 0.00e+00 a 0 - - - >>2662 2.671 0.990 39.907 1 T 9.240e+05 0.00e+00 a 0 - - - >>2663 1.313 4.098 42.857 1 T 1.020e+06 0.00e+00 a 0 - - - >>2664 2.947 -0.025 26.531 1 T 7.470e+05 0.00e+00 a 0 - - - >>2665 2.414 3.914 27.534 1 T 1.040e+06 0.00e+00 a 0 - - - >>2666 3.438 6.695 37.626 1 T 4.810e+05 0.00e+00 a 0 - - - >>2667 3.447 7.179 37.545 1 T 6.690e+05 0.00e+00 a 0 - - - >>2668 -0.087 7.585 20.974 1 T 7.350e+05 0.00e+00 a 0 - - - >>2669 0.806 7.580 25.731 1 T 9.910e+05 0.00e+00 a 0 - - - >>2670 3.179 7.899 43.309 1 T 5.740e+05 0.00e+00 a 0 - - - >>2671 1.732 0.978 27.265 1 T 1.110e+07 0.00e+00 a 0 - - - >>2672 1.610 3.734 29.134 1 T 1.260e+06 0.00e+00 a 0 - - - >>2673 1.464 0.372 27.401 1 T 9.110e+05 0.00e+00 a 0 - - - >>2674 1.455 4.085 27.376 1 T 1.450e+06 0.00e+00 a 0 - - - >>2675 1.833 -0.085 25.894 1 T 9.960e+05 0.00e+00 a 0 - - - >>2676 1.846 7.842 25.916 1 T 6.150e+05 0.00e+00 a 0 - - - >>2677 2.888 0.818 41.461 1 T 3.910e+06 0.00e+00 a 0 - - - >>2678 2.889 1.069 41.473 1 T 2.010e+06 0.00e+00 a 0 - - - >>2679 2.888 1.277 41.465 1 T 4.180e+06 0.00e+00 a 0 - - - >>2680 2.888 1.416 41.484 1 T 5.360e+06 0.00e+00 a 0 - - - >>2681 2.890 1.701 41.504 1 T 1.620e+07 0.00e+00 a 0 - - - >>2682 2.888 2.180 41.406 1 T 3.650e+06 0.00e+00 a 0 - - - >>2683 2.892 3.243 41.533 1 T 3.900e+06 0.00e+00 a 0 - - - >>2684 2.887 3.954 41.453 1 T 1.280e+06 0.00e+00 a 0 - - - >>2685 2.889 4.613 41.399 1 T 2.910e+06 0.00e+00 a 0 - - - >>2686 2.887 6.927 41.472 1 T 1.460e+06 0.00e+00 a 0 - - - >>2687 1.081 1.637 41.570 1 T 7.240e+05 0.00e+00 a 0 - - - >>2688 3.339 0.549 63.991 1 T 8.740e+05 0.00e+00 a 0 - - - >>2689 3.333 3.428 63.929 1 T 2.550e+06 0.00e+00 a 0 - - - >>2690 3.443 3.353 63.967 1 T 1.970e+06 0.00e+00 a 0 - - - >>2691 3.328 4.127 63.830 1 T 1.560e+06 0.00e+00 a 0 - - - >>2692 3.442 4.131 63.910 1 T 1.230e+06 0.00e+00 a 0 - - - >>2693 3.447 1.484 63.923 1 T 7.770e+05 0.00e+00 a 0 - - - >>2694 3.439 0.556 63.871 1 T 7.870e+05 0.00e+00 a 0 - - - >>2695 3.077 2.148 41.728 1 T 1.060e+06 0.00e+00 a 0 - - - >>2696 1.822 1.256 28.859 1 T 1.240e+06 0.00e+00 a 0 - - - >>2697 1.829 4.217 28.873 1 T 2.540e+06 0.00e+00 a 0 - - - >>2698 0.768 9.061 25.742 1 T 1.760e+06 0.00e+00 a 0 - - - >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 H . . 18.023 ppm . . . 4.840 . . 34528 2 >> 2 . . H 1 H . . 11.992 ppm . . . 4.840 . . 34528 2 >> 3 . . 13C 13 C-aliphatic . . 66.084 ppm . . . 43.8 . . 34528 2 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_3 _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 2 H H 3 C C-aromatic stop_ _Sample_label $sample_2 _Sample_conditions_label $sample_conditions_2 _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 34528 >> _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 2 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 >> _Spectral_peak_list.Chem_shift_reference_ID 1 >> _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 >> _Spectral_peak_list.Experiment_ID 11 >> _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 1 >> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 3 >>#FORMAT xeasy3D >>#INAME 1 HC >>#INAME 2 H >>#INAME 3 C >>#SPECTRUM C13NOESY HC H C >> 1 7.880 3.170 138.071 1 T 8.320e+05 0.00e+00 a 0 - - - >> 2 7.883 3.139 138.120 1 T 8.460e+05 0.00e+00 a 0 - - - >> 3 7.884 1.862 138.117 1 T 9.080e+05 0.00e+00 a 0 - - - >> 4 7.883 1.514 138.192 1 T 6.440e+05 0.00e+00 a 0 - - - >> 5 7.878 0.288 138.280 1 T 7.000e+05 0.00e+00 a 0 - - - >> 6 7.824 2.910 138.629 1 T 9.500e+05 0.00e+00 a 0 - - - >> 7 7.822 2.072 138.663 1 T 1.070e+06 0.00e+00 a 0 - - - >> 8 7.827 2.215 138.591 1 T 8.590e+05 0.00e+00 a 0 - - - >> 9 7.820 1.682 138.674 1 T 1.030e+06 0.00e+00 a 0 - - - >> 10 7.823 1.462 138.706 1 T 6.890e+05 0.00e+00 a 0 - - - >> 11 7.824 0.818 138.638 1 T 1.420e+06 0.00e+00 a 0 - - - >> 12 7.652 0.271 137.925 1 T 1.240e+06 0.00e+00 a 0 - - - >> 13 7.642 0.426 137.894 1 T 7.510e+05 0.00e+00 a 0 - - - >> 14 7.650 1.951 137.857 1 T 2.750e+06 0.00e+00 a 0 - - - >> 15 7.282 6.943 133.977 1 T 4.730e+06 0.00e+00 a 0 - - - >> 16 7.286 5.031 133.970 1 T 2.400e+06 0.00e+00 a 0 - - - >> 17 7.286 3.311 134.027 1 T 1.630e+06 0.00e+00 a 0 - - - >> 18 7.285 3.667 133.941 1 T 1.100e+06 0.00e+00 a 0 - - - >> 19 7.280 3.572 134.044 1 T 8.910e+05 0.00e+00 a 0 - - - >> 20 7.284 2.674 133.898 1 T 1.530e+06 0.00e+00 a 0 - - - >> 21 7.284 2.224 134.262 1 T 7.030e+05 0.00e+00 a 0 - - - >> 22 7.284 1.650 133.956 1 T 5.840e+05 0.00e+00 a 0 - - - >> 23 7.284 1.324 134.148 1 T 8.790e+05 0.00e+00 a 0 - - - >> 24 7.283 0.809 134.095 1 T 1.260e+06 0.00e+00 a 0 - - - >> 25 7.283 0.531 134.113 1 T 8.190e+05 0.00e+00 a 0 - - - >> 26 7.340 0.553 131.900 1 T 7.030e+05 0.00e+00 a 0 - - - >> 27 7.335 6.972 131.830 1 T 1.380e+06 0.00e+00 a 0 - - - >> 28 7.350 1.058 131.928 1 T 5.120e+05 0.00e+00 a 0 - - - >> 29 7.218 4.545 131.188 1 T 7.250e+05 0.00e+00 a 0 - - - >> 30 7.250 4.539 131.000 1 T 8.980e+05 0.00e+00 a 0 - - - >> 31 7.234 3.451 131.178 1 T 9.030e+05 0.00e+00 a 0 - - - >> 32 7.258 3.429 131.231 1 T 7.580e+05 0.00e+00 a 0 - - - >> 33 7.241 3.298 131.060 1 T 8.770e+05 0.00e+00 a 0 - - - >> 34 7.205 3.304 131.259 1 T 6.760e+05 0.00e+00 a 0 - - - >> 35 7.226 2.142 131.163 1 T 7.680e+05 0.00e+00 a 0 - - - >> 36 7.250 1.573 131.171 1 T 7.190e+05 0.00e+00 a 0 - - - >> 37 7.228 1.568 131.197 1 T 7.930e+05 0.00e+00 a 0 - - - >> 38 7.228 1.091 131.137 1 T 2.600e+06 0.00e+00 a 0 - - - >> 39 7.231 0.892 131.215 1 T 2.200e+06 0.00e+00 a 0 - - - >> 40 7.227 0.797 131.229 1 T 2.180e+06 0.00e+00 a 0 - - - >> 41 7.237 0.563 131.317 1 T 1.280e+06 0.00e+00 a 0 - - - >> 42 7.227 0.385 131.175 1 T 9.260e+05 0.00e+00 a 0 - - - >> 43 7.175 2.210 131.272 1 T 7.720e+05 0.00e+00 a 0 - - - >> 44 7.208 4.282 131.164 1 T 5.450e+05 0.00e+00 a 0 - - - >> 45 7.175 1.006 131.525 1 T 1.090e+06 0.00e+00 a 0 - - - >> 46 7.181 -0.263 131.550 1 T 6.370e+05 0.00e+00 a 0 - - - >> 47 7.123 0.793 129.704 1 T 1.060e+06 0.00e+00 a 0 - - - >> 48 7.132 1.089 129.766 1 T 1.070e+06 0.00e+00 a 0 - - - >> 49 7.018 3.651 131.433 1 T 5.960e+05 0.00e+00 a 0 - - - >> 50 6.966 0.554 131.793 1 T 1.170e+06 0.00e+00 a 0 - - - >> 51 6.968 -0.276 131.719 1 T 9.660e+05 0.00e+00 a 0 - - - >> 52 6.973 -0.062 131.881 1 T 8.000e+05 0.00e+00 a 0 - - - >> 53 6.976 4.156 131.997 1 T 6.580e+05 0.00e+00 a 0 - - - >> 54 6.972 7.338 131.803 1 T 2.150e+06 0.00e+00 a 0 - - - >> 55 6.970 6.719 131.743 1 T 7.110e+05 0.00e+00 a 0 - - - >> 56 6.643 7.187 129.556 1 T 9.540e+05 0.00e+00 a 0 - - - >> 57 6.642 4.798 129.542 1 T 1.510e+06 0.00e+00 a 0 - - - >> 58 6.651 3.748 129.474 1 T 1.210e+06 0.00e+00 a 0 - - - >> 59 6.644 3.322 129.489 1 T 7.970e+05 0.00e+00 a 0 - - - >> 60 6.646 3.458 129.575 1 T 5.470e+05 0.00e+00 a 0 - - - >> 61 6.651 2.238 129.456 1 T 8.420e+05 0.00e+00 a 0 - - - >> 62 6.646 2.049 129.555 1 T 6.260e+05 0.00e+00 a 0 - - - >> 63 6.644 1.280 129.521 1 T 7.060e+05 0.00e+00 a 0 - - - >> 64 6.650 1.506 129.603 1 T 5.220e+05 0.00e+00 a 0 - - - >> 65 6.650 0.798 129.552 1 T 1.150e+06 0.00e+00 a 0 - - - >> 66 6.649 0.537 129.558 1 T 1.040e+06 0.00e+00 a 0 - - - >> 67 6.638 0.969 129.512 1 T 5.060e+05 0.00e+00 a 0 - - - >> 68 6.647 -0.028 129.512 1 T 6.420e+05 0.00e+00 a 0 - - - >> 69 6.640 -0.289 129.690 1 T 4.930e+05 0.00e+00 a 0 - - - >> 70 6.652 2.708 129.800 1 T 5.460e+05 0.00e+00 a 0 - - - >> 71 6.718 2.902 131.537 1 T 7.960e+05 0.00e+00 a 0 - - - >> 72 6.933 1.912 126.561 1 T 7.570e+05 0.00e+00 a 0 - - - >> 73 6.938 1.982 126.296 1 T 7.550e+05 0.00e+00 a 0 - - - >> 74 6.942 0.909 126.451 1 T 6.720e+05 0.00e+00 a 0 - - - >> 75 6.941 3.353 126.609 1 T 1.490e+06 0.00e+00 a 0 - - - >> 76 6.926 2.283 126.520 1 T 7.060e+05 0.00e+00 a 0 - - - >> 77 6.929 3.787 126.525 1 T 8.720e+05 0.00e+00 a 0 - - - >> 78 6.934 3.650 126.457 1 T 6.210e+05 0.00e+00 a 0 - - - >> 79 6.932 4.322 126.538 1 T 5.580e+05 0.00e+00 a 0 - - - >> 80 7.007 0.681 125.119 1 T 6.200e+05 0.00e+00 a 0 - - - >> 81 7.029 1.603 124.367 1 T 6.990e+05 0.00e+00 a 0 - - - >> 82 7.023 3.226 124.393 1 T 7.580e+05 0.00e+00 a 0 - - - >> 83 7.022 3.604 124.381 1 T 6.120e+05 0.00e+00 a 0 - - - >> 84 7.025 3.899 124.312 1 T 5.370e+05 0.00e+00 a 0 - - - >> 85 7.028 4.560 124.275 1 T 2.470e+06 0.00e+00 a 0 - - - >> 86 7.011 6.680 124.767 1 T 1.380e+06 0.00e+00 a 0 - - - >> 87 7.031 4.233 124.372 1 T 5.610e+05 0.00e+00 a 0 - - - >> 88 6.814 7.263 123.233 1 T 1.160e+06 0.00e+00 a 0 - - - >> 89 6.822 0.789 123.159 1 T 9.290e+05 0.00e+00 a 0 - - - >> 90 6.838 0.271 121.667 1 T 9.860e+05 0.00e+00 a 0 - - - >> 91 6.839 0.435 121.478 1 T 1.010e+06 0.00e+00 a 0 - - - >> 92 6.844 0.958 121.420 1 T 6.100e+05 0.00e+00 a 0 - - - >> 93 6.845 1.418 121.442 1 T 5.890e+05 0.00e+00 a 0 - - - >> 94 6.837 3.176 121.598 1 T 1.260e+06 0.00e+00 a 0 - - - >> 95 6.833 1.968 121.593 1 T 7.170e+05 0.00e+00 a 0 - - - >> 96 6.838 1.578 121.552 1 T 8.890e+05 0.00e+00 a 0 - - - >> 97 6.843 3.926 121.713 1 T 9.760e+05 0.00e+00 a 0 - - - >> 98 6.844 4.243 121.581 1 T 6.280e+05 0.00e+00 a 0 - - - >> 99 6.671 0.744 121.913 1 T 6.450e+05 0.00e+00 a 0 - - - >> 100 6.989 3.898 119.391 1 T 1.030e+06 0.00e+00 a 0 - - - >> 101 6.990 4.262 119.392 1 T 1.980e+06 0.00e+00 a 0 - - - >> 102 6.987 3.181 119.330 1 T 2.400e+06 0.00e+00 a 0 - - - >> 103 6.987 0.272 119.305 1 T 9.230e+05 0.00e+00 a 0 - - - >> 104 6.991 1.545 119.342 1 T 8.630e+05 0.00e+00 a 0 - - - >> 105 6.987 1.441 119.182 1 T 7.440e+05 0.00e+00 a 0 - - - >> 106 6.987 1.821 119.275 1 T 6.940e+05 0.00e+00 a 0 - - - >> 107 6.987 1.969 119.323 1 T 6.440e+05 0.00e+00 a 0 - - - >> 108 6.994 8.425 119.242 1 T 6.340e+05 0.00e+00 a 0 - - - >> 109 6.943 7.282 118.194 1 T 6.660e+06 0.00e+00 a 0 - - - >> 110 6.945 5.030 118.135 1 T 1.280e+06 0.00e+00 a 0 - - - >> 111 6.945 3.679 118.152 1 T 2.040e+06 0.00e+00 a 0 - - - >> 112 6.941 3.484 118.095 1 T 1.210e+06 0.00e+00 a 0 - - - >> 113 6.945 2.696 118.337 1 T 7.720e+05 0.00e+00 a 0 - - - >> 114 6.923 3.259 118.441 1 T 2.830e+06 0.00e+00 a 0 - - - >> 115 6.933 2.223 118.427 1 T 9.420e+05 0.00e+00 a 0 - - - >> 116 6.925 2.028 118.394 1 T 1.450e+06 0.00e+00 a 0 - - - >> 117 6.949 1.802 118.226 1 T 9.360e+05 0.00e+00 a 0 - - - >> 118 6.922 1.693 118.429 1 T 2.100e+06 0.00e+00 a 0 - - - >> 119 6.930 1.310 118.345 1 T 1.840e+06 0.00e+00 a 0 - - - >> 120 6.936 0.941 118.337 1 T 1.280e+06 0.00e+00 a 0 - - - >> 121 6.924 0.820 118.420 1 T 1.970e+06 0.00e+00 a 0 - - - >> 122 6.942 0.536 118.216 1 T 6.650e+05 0.00e+00 a 0 - - - >> 123 6.939 3.005 118.385 1 T 8.730e+05 0.00e+00 a 0 - - - >> 124 6.923 2.892 118.535 1 T 1.490e+06 0.00e+00 a 0 - - - >> 125 6.932 3.957 118.365 1 T 6.090e+05 0.00e+00 a 0 - - - >> 126 6.923 4.559 118.439 1 T 1.380e+06 0.00e+00 a 0 - - - >> 127 6.919 4.437 118.441 1 T 1.450e+06 0.00e+00 a 0 - - - >> 128 6.926 4.235 118.488 1 T 6.780e+05 0.00e+00 a 0 - - - >> 129 7.372 0.900 114.239 1 T 1.650e+06 0.00e+00 a 0 - - - >> 130 7.373 1.840 113.947 1 T 6.560e+05 0.00e+00 a 0 - - - >> 131 7.372 2.118 114.242 1 T 1.180e+06 0.00e+00 a 0 - - - >> 132 7.366 3.926 114.122 1 T 6.940e+05 0.00e+00 a 0 - - - >> 133 7.369 7.005 114.198 1 T 2.500e+06 0.00e+00 a 0 - - - >> 134 7.275 0.800 113.657 1 T 9.310e+05 0.00e+00 a 0 - - - >> 135 7.256 0.794 113.564 1 T 1.010e+06 0.00e+00 a 0 - - - >> 136 7.264 -0.090 113.577 1 T 7.570e+05 0.00e+00 a 0 - - - >> 137 7.259 1.840 113.589 1 T 5.020e+05 0.00e+00 a 0 - - - >> 138 7.259 6.811 113.514 1 T 1.260e+06 0.00e+00 a 0 - - - >> 139 7.271 1.362 113.313 1 T 4.720e+05 0.00e+00 a 0 - - - >> 140 7.828 3.280 138.742 1 T 4.270e+05 0.00e+00 a 0 - - - >> 141 7.823 4.081 138.632 1 T 5.030e+05 0.00e+00 a 0 - - - >> 142 7.820 4.459 138.736 1 T 4.550e+05 0.00e+00 a 0 - - - >> 143 7.015 4.414 131.359 1 T 5.940e+05 0.00e+00 a 0 - - - >> 144 6.981 3.164 131.138 1 T 1.070e+06 0.00e+00 a 0 - - - >> 145 7.003 7.388 132.041 1 T 8.870e+05 0.00e+00 a 0 - - - >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 H . . 18.023 ppm . . . 4.840 . . 34528 3 >> 2 . . H 1 H . . 11.992 ppm . . . 4.840 . . 34528 3 >> 3 . . C 13 C-aromatic . . 30.0 ppm . . . 127.0 . . 34528 3 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_4 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D filt. 1H-13C NOESY aliphatic' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H H 2 H H 3 C C-aliphatic stop_ _Sample_label $sample_2 _Sample_conditions_label $sample_conditions_2 _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 34528 >> _Spectral_peak_list.ID 4 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $sample_2 >> _Spectral_peak_list.Sample_condition_list_ID 2 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 >> _Spectral_peak_list.Chem_shift_reference_ID 1 >> _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 >> _Spectral_peak_list.Experiment_ID 12 >> _Spectral_peak_list.Experiment_name '3D filt. 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 1 >> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 3 >>#FORMAT xeasy3D >>#INAME 1 HC >>#INAME 2 H >>#INAME 3 C >>#SPECTRUM C13NOESY HC H C >> 1 0.802 5.538 14.581 1 T 1.560e+06 0.00e+00 a 0 QD1.85 H28.86 CD1.85 >> 2 0.805 5.049 14.611 1 T 1.140e+06 0.00e+00 a 0 QD1.85 H27.86 CD1.85 >> 3 0.801 3.541 14.550 1 T 1.370e+06 0.00e+00 a 0 QD1.85 Q16.86 CD1.85 >> 4 0.803 3.178 14.462 1 T 9.020e+05 0.00e+00 a 0 QD1.85 Q14.86 CD1.85 >> 5 0.530 5.534 17.504 1 T 3.250e+06 0.00e+00 a 0 QG2.85 H28.86 CG2.85 >> 6 0.531 5.042 17.523 1 T 2.820e+06 0.00e+00 a 0 QG2.85 H27.86 CG2.85 >> 7 0.529 3.171 17.557 1 T 1.770e+06 0.00e+00 a 0 QG2.85 Q14.86 CG2.85 >> 8 0.549 3.170 21.785 1 T 2.630e+06 0.00e+00 a 0 QD2.89 Q12.86 CD2.89 >> 9 1.281 3.181 21.294 1 T 4.420e+06 0.00e+00 a 0 QG2.90 Q12.86 CG2.90 >> 11 0.906 3.456 23.210 1 T 3.020e+06 0.00e+00 a 0 QD1.151 Q19.86 CD1.151 >> 12 0.907 3.669 23.147 1 T 1.640e+06 0.00e+00 a 0 QD1.151 Q17.86 CD1.151 >> 14 0.985 3.458 25.389 1 T 5.250e+06 0.00e+00 a 0 QD2.151 Q19.86 CD2.151 >> 15 0.984 3.179 25.334 1 T 7.810e+05 0.00e+00 a 0 QD2.151 Q12.86 CD2.151 >> 16 0.985 3.670 25.414 1 T 3.730e+06 0.00e+00 a 0 QD2.151 Q17.86 CD2.151 >> 17 -0.083 3.165 25.908 1 T 4.640e+06 0.00e+00 a 0 QD1.89 Q12.86 CD1.89 >> 18 1.804 3.157 26.905 1 T 1.200e+06 0.00e+00 a 0 HG2.145 Q14.86 CG.145 >> 19 1.934 3.156 26.942 1 T 1.480e+06 0.00e+00 a 0 HG3.145 Q14.86 CG.145 >> 20 1.676 3.659 27.185 1 T 9.900e+05 0.00e+00 a 0 HG3.82 Q17.86 CG.82 >> 21 1.664 3.540 27.043 1 T 9.180e+05 0.00e+00 a 0 HG3.82 Q16.86 CG.82 >> 22 1.306 3.657 27.024 1 T 9.500e+05 0.00e+00 a 0 HG2.82 Q17.86 CG.82 >> 23 1.293 3.463 27.237 1 T 7.280e+05 0.00e+00 a 0 HG2.82 Q19.86 CG.82 >> 24 2.259 3.166 29.954 1 T 9.810e+05 0.00e+00 a 0 HB3.145 Q14.86 CB.145 >> 26 2.150 3.159 30.064 1 T 9.370e+05 0.00e+00 a 0 HB2.145 Q14.86 CB.145 >> 27 1.661 3.469 42.288 1 T 9.060e+05 0.00e+00 a 0 HB3.151 Q19.86 CB.151 >> 30 3.190 3.482 43.272 1 T 3.710e+06 0.00e+00 a 0 QD.82 Q19.86 CD.82 >> 31 3.189 3.658 43.289 1 T 3.960e+06 0.00e+00 a 0 QD.82 Q17.86 CD.82 >> 33 3.192 5.057 43.279 1 T 6.520e+05 0.00e+00 a 0 QD.82 H27.86 CD.82 >> 36 1.071 3.179 41.813 1 T 9.410e+05 0.00e+00 a 0 HB3.89 Q12.86 CB.89 >> 45 0.532 3.566 17.481 1 T 2.300e+06 0.00e+00 a 0 QG2.85 Q16.86 CG2.85 >> 47 1.693 3.167 18.044 1 T 8.930e+05 0.00e+00 a 0 QB.147 Q14.86 CB.147 >> 50 0.830 3.167 41.929 1 T 6.160e+05 0.00e+00 a 0 HB2.89 Q12.86 CB.89 >> 53 3.264 3.152 39.997 1 T 1.470e+06 0.00e+00 a 0 QB.148 Q14.86 CB.148 >> 55 3.399 3.152 43.793 1 T 1.160e+06 0.00e+00 a 0 HD3.145 Q14.86 CD.145 >>; >> >> 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 . . 18.023 ppm . . . 4.840 . . 34528 4 >> 2 . . H 1 H . . 11.992 ppm . . . 4.840 . . 34528 4 >> 3 . . C 13 C-aliphatic . . 69.994 ppm . . . 41.8 . . 34528 4 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_5 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D filt. 1H-13C NOESY aromatic' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H H 2 H H 3 C C-aromatic stop_ _Sample_label $sample_2 _Sample_conditions_label $sample_conditions_2 _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 34528 >> _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 2 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_2 >> _Spectral_peak_list.Chem_shift_reference_ID 1 >> _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 >> _Spectral_peak_list.Experiment_ID 13 >> _Spectral_peak_list.Experiment_name '3D filt. 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 1 >> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 3 >>#FORMAT xeasy3D >>#INAME 1 HC >>#INAME 2 H >>#INAME 3 C >>#SPECTRUM C13NOESY HC H C >> 1 7.284 3.662 133.953 1 T 2.280e+06 0.00e+00 a 0 QD.23 Q17.86 CD2.23 >> 2 7.019 3.166 131.408 1 T 2.470e+06 0.00e+00 a 0 QD.148 Q12.86 CD1.148 >> 5 7.005 3.646 131.209 1 T 1.510e+06 0.00e+00 a 0 QD.148 Q17.86 CD1.148 >> 6 7.013 3.499 131.444 1 T 1.570e+06 0.00e+00 a 0 QD.148 Q19.86 CD1.148 >> 8 6.944 3.487 118.167 1 T 2.750e+06 0.00e+00 a 0 QE.23 Q19.86 CE2.23 >> 9 6.944 3.670 118.214 1 T 3.770e+06 0.00e+00 a 0 QE.23 Q17.86 CE2.23 >> 10 7.278 5.526 133.992 1 T 7.200e+05 0.00e+00 a 0 QD.23 H28.86 CD2.23 >> 11 6.945 5.538 118.310 1 T 5.660e+05 0.00e+00 a 0 QE.23 H28.86 CE2.23 >>; >> >> 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 . . 18.023 ppm . . . 4.840 . . 34528 5 >> 2 . . H 1 H . . 11.992 ppm . . . 4.840 . . 34528 5 >> 3 . . C 13 C-aromatic . . 32.020 ppm . . . 127.0 . . 34528 5 >> >> stop_ >> >>save_ >> ; save_