data_34526 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of unliganded MLKL executioner domain ; _BMRB_accession_number 34526 _BMRB_flat_file_name bmr34526.str _Entry_type original _Submission_date 2020-06-30 _Accession_date 2020-06-30 _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 Nar H. . . 4 Zeeb M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 939 "13C chemical shifts" 529 "15N chemical shifts" 164 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-12-14 original BMRB . stop_ _Original_release_date 2020-12-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Locking mixed lineage kinase domain-like protein in its auto-inhibited state prevents necroptosis ; _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 Fiegen D. . . 3 Bauer M. . . 4 Binder F. . . 5 Hamilton J. . . 6 King J. . . 7 Thamm S. . . 8 Nar H. . . 9 Zeeb M. . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume . _Journal_issue . _Journal_ASTM PNASA6 _Journal_ISSN 1091-6490 _Journal_CSD 0040 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Mixed lineage kinase domain-like protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label unit_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 18184.961 _Mol_thiol_state . _Details . ############################## # 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_ #################### # 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 '400 uM [U-13C; U-15N] MLKL, 93% H2O/7% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 400 uM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '430 uM [U-13C; U-15N] MLKL, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 430 uM '[U-13C; U-15N]' '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 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TopSpin _Version 3.6 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III HD' _Field_strength 800 _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_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCCh-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCCh-TOCSY' _Sample_label $sample_1 save_ save_3D_HNccH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNccH-TOCSY' _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_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D 1H-15N NOESY' '3D HNCCh-TOCSY' '3D HNccH-TOCSY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HCCH-TOCSY' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _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 3.862 0.000 . 2 -2 1 GLY HA3 H 3.903 0.000 . 3 -2 1 GLY CA C 43.272 0.001 . 4 -1 2 SER HA H 4.868 0.000 . 5 -1 2 SER HB2 H 3.961 0.000 . 6 -1 2 SER HB3 H 4.081 0.000 . 7 -1 2 SER CA C 56.779 0.000 . 8 -1 2 SER CB C 63.011 0.000 . 9 0 3 PRO HA H 4.453 0.000 . 10 0 3 PRO HB2 H 2.371 0.000 . 11 0 3 PRO HB3 H 1.992 0.000 . 12 0 3 PRO HG2 H 2.080 0.000 . 13 0 3 PRO HG3 H 2.178 0.000 . 14 0 3 PRO HD2 H 3.948 0.000 . 15 0 3 PRO HD3 H 3.860 0.000 . 16 0 3 PRO CA C 65.154 0.000 . 17 0 3 PRO CB C 31.904 0.006 . 18 0 3 PRO CG C 27.932 0.003 . 19 0 3 PRO CD C 50.649 0.011 . 20 1 4 GLY H H 8.720 0.000 . 21 1 4 GLY HA2 H 3.912 0.000 . 22 1 4 GLY HA3 H 4.002 0.000 . 23 1 4 GLY CA C 46.292 0.001 . 24 1 4 GLY N N 107.725 0.000 . 25 2 5 GLU H H 7.940 0.000 . 26 2 5 GLU HA H 4.073 0.000 . 27 2 5 GLU HB2 H 2.053 0.000 . 28 2 5 GLU HB3 H 2.053 0.000 . 29 2 5 GLU HG2 H 2.264 0.000 . 30 2 5 GLU HG3 H 2.264 0.000 . 31 2 5 GLU CA C 58.445 0.000 . 32 2 5 GLU CB C 29.722 0.000 . 33 2 5 GLU CG C 36.616 0.000 . 34 2 5 GLU N N 122.051 0.000 . 35 3 6 ASN H H 8.433 0.000 . 36 3 6 ASN HA H 4.568 0.000 . 37 3 6 ASN HB2 H 2.844 0.000 . 38 3 6 ASN HB3 H 2.960 0.000 . 39 3 6 ASN HD21 H 6.931 0.000 . 40 3 6 ASN HD22 H 7.713 0.000 . 41 3 6 ASN CA C 55.510 0.000 . 42 3 6 ASN CB C 37.976 0.001 . 43 3 6 ASN N N 118.801 0.000 . 44 3 6 ASN ND2 N 111.822 0.019 . 45 4 7 LEU H H 8.191 0.000 . 46 4 7 LEU HA H 4.098 0.000 . 47 4 7 LEU HB2 H 1.739 0.000 . 48 4 7 LEU HB3 H 1.794 0.000 . 49 4 7 LEU HG H 1.735 0.000 . 50 4 7 LEU HD1 H 1.027 0.000 . 51 4 7 LEU HD2 H 0.967 0.000 . 52 4 7 LEU CA C 58.423 0.000 . 53 4 7 LEU CB C 41.808 0.001 . 54 4 7 LEU CG C 27.254 0.000 . 55 4 7 LEU CD1 C 24.897 0.000 . 56 4 7 LEU CD2 C 25.480 0.000 . 57 4 7 LEU N N 120.648 0.000 . 58 5 8 LYS H H 7.778 0.000 . 59 5 8 LYS HA H 3.983 0.000 . 60 5 8 LYS HB2 H 1.890 0.000 . 61 5 8 LYS HB3 H 1.890 0.000 . 62 5 8 LYS HG2 H 1.412 0.000 . 63 5 8 LYS HG3 H 1.500 0.000 . 64 5 8 LYS HD2 H 1.663 0.000 . 65 5 8 LYS HD3 H 1.663 0.000 . 66 5 8 LYS HE2 H 2.939 0.000 . 67 5 8 LYS HE3 H 2.939 0.000 . 68 5 8 LYS CA C 59.695 0.000 . 69 5 8 LYS CB C 31.990 0.000 . 70 5 8 LYS CG C 24.916 0.002 . 71 5 8 LYS CD C 29.145 0.000 . 72 5 8 LYS CE C 41.834 0.000 . 73 5 8 LYS N N 118.131 0.000 . 74 6 9 HIS H H 8.107 0.000 . 75 6 9 HIS HA H 4.428 0.000 . 76 6 9 HIS HB2 H 3.248 0.000 . 77 6 9 HIS HB3 H 3.286 0.000 . 78 6 9 HIS HD2 H 6.943 0.000 . 79 6 9 HIS HE1 H 7.838 0.000 . 80 6 9 HIS CA C 59.023 0.000 . 81 6 9 HIS CB C 30.748 0.006 . 82 6 9 HIS CD2 C 118.525 0.000 . 83 6 9 HIS CE1 C 138.688 0.000 . 84 6 9 HIS N N 118.802 0.000 . 85 7 10 ILE H H 7.978 0.000 . 86 7 10 ILE HA H 3.423 0.000 . 87 7 10 ILE HB H 2.117 0.000 . 88 7 10 ILE HG12 H 0.765 0.000 . 89 7 10 ILE HG13 H 2.018 0.000 . 90 7 10 ILE HG2 H 0.882 0.000 . 91 7 10 ILE HD1 H 1.067 0.000 . 92 7 10 ILE CA C 66.113 0.000 . 93 7 10 ILE CB C 38.372 0.000 . 94 7 10 ILE CG1 C 30.833 0.003 . 95 7 10 ILE CG2 C 18.330 0.000 . 96 7 10 ILE CD1 C 14.612 0.000 . 97 7 10 ILE N N 120.318 0.000 . 98 8 11 ILE H H 8.146 0.000 . 99 8 11 ILE HA H 3.581 0.000 . 100 8 11 ILE HB H 1.868 0.000 . 101 8 11 ILE HG12 H 0.966 0.000 . 102 8 11 ILE HG13 H 1.784 0.000 . 103 8 11 ILE HG2 H 0.906 0.000 . 104 8 11 ILE HD1 H 0.766 0.000 . 105 8 11 ILE CA C 65.953 0.000 . 106 8 11 ILE CB C 38.618 0.000 . 107 8 11 ILE CG1 C 30.243 0.046 . 108 8 11 ILE CG2 C 17.478 0.000 . 109 8 11 ILE CD1 C 14.375 0.000 . 110 8 11 ILE N N 119.844 0.000 . 111 9 12 THR H H 8.294 0.000 . 112 9 12 THR HA H 3.894 0.000 . 113 9 12 THR HB H 4.210 0.000 . 114 9 12 THR HG2 H 1.234 0.000 . 115 9 12 THR CA C 66.751 0.000 . 116 9 12 THR CB C 69.196 0.000 . 117 9 12 THR CG2 C 22.013 0.000 . 118 9 12 THR N N 115.389 0.000 . 119 10 13 LEU H H 8.105 0.000 . 120 10 13 LEU HA H 4.073 0.000 . 121 10 13 LEU HB2 H 1.611 0.000 . 122 10 13 LEU HB3 H 1.611 0.000 . 123 10 13 LEU HG H 1.459 0.000 . 124 10 13 LEU HD1 H 0.810 0.000 . 125 10 13 LEU HD2 H 0.847 0.000 . 126 10 13 LEU CA C 57.853 0.000 . 127 10 13 LEU CB C 42.034 0.000 . 128 10 13 LEU CG C 27.343 0.000 . 129 10 13 LEU CD1 C 26.440 0.000 . 130 10 13 LEU CD2 C 23.438 0.000 . 131 10 13 LEU N N 122.262 0.000 . 132 11 14 GLY H H 8.632 0.000 . 133 11 14 GLY HA2 H 3.536 0.000 . 134 11 14 GLY HA3 H 3.614 0.000 . 135 11 14 GLY CA C 47.503 0.012 . 136 11 14 GLY N N 105.671 0.000 . 137 12 15 GLN H H 8.092 0.000 . 138 12 15 GLN HA H 4.012 0.000 . 139 12 15 GLN HB2 H 2.036 0.000 . 140 12 15 GLN HB3 H 2.421 0.000 . 141 12 15 GLN HG2 H 2.666 0.000 . 142 12 15 GLN HG3 H 2.334 0.000 . 143 12 15 GLN HE21 H 6.673 0.000 . 144 12 15 GLN HE22 H 7.261 0.000 . 145 12 15 GLN CA C 59.339 0.000 . 146 12 15 GLN CB C 27.623 0.019 . 147 12 15 GLN CG C 33.793 0.003 . 148 12 15 GLN N N 119.712 0.000 . 149 12 15 GLN NE2 N 110.856 0.001 . 150 13 16 VAL H H 8.465 0.000 . 151 13 16 VAL HA H 3.699 0.000 . 152 13 16 VAL HB H 2.372 0.000 . 153 13 16 VAL HG1 H 0.956 0.000 . 154 13 16 VAL HG2 H 1.092 0.000 . 155 13 16 VAL CA C 66.729 0.000 . 156 13 16 VAL CB C 31.753 0.000 . 157 13 16 VAL CG1 C 20.758 0.000 . 158 13 16 VAL CG2 C 23.130 0.000 . 159 13 16 VAL N N 122.970 0.000 . 160 14 17 ILE H H 8.536 0.000 . 161 14 17 ILE HA H 3.507 0.000 . 162 14 17 ILE HB H 2.020 0.000 . 163 14 17 ILE HG12 H 1.785 0.000 . 164 14 17 ILE HG13 H 0.897 0.000 . 165 14 17 ILE HG2 H 0.722 0.000 . 166 14 17 ILE HD1 H 0.847 0.000 . 167 14 17 ILE CA C 65.821 0.000 . 168 14 17 ILE CB C 38.131 0.000 . 169 14 17 ILE CG1 C 30.137 0.009 . 170 14 17 ILE CG2 C 16.934 0.000 . 171 14 17 ILE CD1 C 15.998 0.000 . 172 14 17 ILE N N 121.230 0.000 . 173 15 18 HIS H H 8.275 0.000 . 174 15 18 HIS HA H 3.937 0.000 . 175 15 18 HIS HB2 H 3.178 0.000 . 176 15 18 HIS HB3 H 3.178 0.000 . 177 15 18 HIS HD2 H 6.847 0.000 . 178 15 18 HIS HE1 H 7.654 0.000 . 179 15 18 HIS CA C 61.336 0.000 . 180 15 18 HIS CB C 29.833 0.000 . 181 15 18 HIS CD2 C 121.657 0.000 . 182 15 18 HIS CE1 C 137.907 0.000 . 183 15 18 HIS N N 119.059 0.000 . 184 16 19 LYS H H 7.848 0.000 . 185 16 19 LYS HA H 3.686 0.000 . 186 16 19 LYS HB2 H 1.955 0.000 . 187 16 19 LYS HB3 H 1.955 0.000 . 188 16 19 LYS HG2 H 1.505 0.000 . 189 16 19 LYS HG3 H 1.385 0.000 . 190 16 19 LYS HD2 H 1.671 0.000 . 191 16 19 LYS HD3 H 1.671 0.000 . 192 16 19 LYS HE2 H 2.980 0.000 . 193 16 19 LYS HE3 H 2.980 0.000 . 194 16 19 LYS CA C 59.490 0.000 . 195 16 19 LYS CB C 32.100 0.000 . 196 16 19 LYS CG C 24.808 0.001 . 197 16 19 LYS CD C 29.225 0.000 . 198 16 19 LYS CE C 41.880 0.000 . 199 16 19 LYS N N 118.491 0.000 . 200 17 20 ARG H H 8.403 0.000 . 201 17 20 ARG HA H 3.986 0.000 . 202 17 20 ARG HB2 H 1.903 0.000 . 203 17 20 ARG HB3 H 1.984 0.000 . 204 17 20 ARG HG2 H 1.719 0.000 . 205 17 20 ARG HG3 H 1.719 0.000 . 206 17 20 ARG HD2 H 3.084 0.000 . 207 17 20 ARG HD3 H 3.084 0.000 . 208 17 20 ARG CA C 59.130 0.000 . 209 17 20 ARG CB C 30.491 0.003 . 210 17 20 ARG CG C 27.640 0.017 . 211 17 20 ARG CD C 43.438 0.000 . 212 17 20 ARG N N 117.774 0.000 . 213 18 21 CYS H H 8.608 0.000 . 214 18 21 CYS HA H 3.913 0.000 . 215 18 21 CYS HB2 H 2.600 0.000 . 216 18 21 CYS HB3 H 3.115 0.000 . 217 18 21 CYS CA C 65.986 0.000 . 218 18 21 CYS CB C 27.458 0.009 . 219 18 21 CYS N N 118.351 0.000 . 220 19 22 GLU H H 7.590 0.000 . 221 19 22 GLU HA H 3.829 0.000 . 222 19 22 GLU HB2 H 1.941 0.000 . 223 19 22 GLU HB3 H 2.032 0.000 . 224 19 22 GLU HG2 H 1.957 0.000 . 225 19 22 GLU HG3 H 1.957 0.000 . 226 19 22 GLU CA C 58.262 0.000 . 227 19 22 GLU CB C 29.994 0.003 . 228 19 22 GLU CG C 36.350 0.000 . 229 19 22 GLU N N 117.982 0.000 . 230 20 23 GLU H H 7.231 0.000 . 231 20 23 GLU HA H 4.235 0.000 . 232 20 23 GLU HB2 H 1.994 0.000 . 233 20 23 GLU HB3 H 2.111 0.000 . 234 20 23 GLU HG2 H 2.241 0.000 . 235 20 23 GLU HG3 H 2.458 0.000 . 236 20 23 GLU CA C 55.737 0.000 . 237 20 23 GLU CB C 30.507 0.042 . 238 20 23 GLU CG C 36.312 0.052 . 239 20 23 GLU N N 115.349 0.000 . 240 21 24 MET H H 6.998 0.000 . 241 21 24 MET HA H 4.259 0.000 . 242 21 24 MET HB2 H 2.006 0.000 . 243 21 24 MET HB3 H 2.456 0.000 . 244 21 24 MET HG2 H 3.025 0.000 . 245 21 24 MET HG3 H 2.949 0.000 . 246 21 24 MET HE H 2.256 0.000 . 247 21 24 MET CA C 56.555 0.000 . 248 21 24 MET CB C 33.065 0.037 . 249 21 24 MET CG C 33.130 0.001 . 250 21 24 MET CE C 18.582 0.000 . 251 21 24 MET N N 120.650 0.000 . 252 22 25 LYS H H 8.850 0.000 . 253 22 25 LYS HA H 3.960 0.000 . 254 22 25 LYS HB2 H 1.099 0.000 . 255 22 25 LYS HB3 H 1.307 0.000 . 256 22 25 LYS HG2 H 1.217 0.000 . 257 22 25 LYS HG3 H 1.373 0.000 . 258 22 25 LYS HD2 H 1.608 0.000 . 259 22 25 LYS HD3 H 1.608 0.000 . 260 22 25 LYS HE2 H 2.997 0.000 . 261 22 25 LYS HE3 H 2.997 0.000 . 262 22 25 LYS CA C 57.153 0.000 . 263 22 25 LYS CB C 33.535 0.002 . 264 22 25 LYS CG C 25.165 0.006 . 265 22 25 LYS CD C 28.942 0.000 . 266 22 25 LYS CE C 41.897 0.000 . 267 22 25 LYS N N 120.614 0.000 . 268 23 26 TYR H H 7.351 0.000 . 269 23 26 TYR HA H 4.983 0.000 . 270 23 26 TYR HB2 H 2.841 0.000 . 271 23 26 TYR HB3 H 3.266 0.000 . 272 23 26 TYR HD1 H 7.293 0.000 . 273 23 26 TYR HD2 H 7.293 0.000 . 274 23 26 TYR HE1 H 6.962 0.000 . 275 23 26 TYR HE2 H 6.962 0.000 . 276 23 26 TYR CA C 54.934 0.000 . 277 23 26 TYR CB C 41.830 0.017 . 278 23 26 TYR CD1 C 134.047 0.000 . 279 23 26 TYR CD2 C 134.047 0.000 . 280 23 26 TYR CE1 C 118.237 0.000 . 281 23 26 TYR CE2 C 118.047 0.000 . 282 23 26 TYR N N 115.698 0.000 . 283 24 27 CYS H H 8.813 0.000 . 284 24 27 CYS HA H 3.745 0.000 . 285 24 27 CYS HB2 H 2.850 0.000 . 286 24 27 CYS HB3 H 2.908 0.000 . 287 24 27 CYS CA C 60.380 0.000 . 288 24 27 CYS CB C 25.872 0.003 . 289 24 27 CYS N N 113.898 0.000 . 290 25 28 LYS H H 8.140 0.000 . 291 25 28 LYS HA H 3.612 0.000 . 292 25 28 LYS HB2 H 1.692 0.000 . 293 25 28 LYS HB3 H 1.692 0.000 . 294 25 28 LYS HG2 H 1.287 0.000 . 295 25 28 LYS HG3 H 1.431 0.000 . 296 25 28 LYS HD2 H 1.680 0.000 . 297 25 28 LYS HD3 H 1.680 0.000 . 298 25 28 LYS HE2 H 2.961 0.000 . 299 25 28 LYS HE3 H 2.961 0.000 . 300 25 28 LYS CA C 60.703 0.000 . 301 25 28 LYS CB C 33.252 0.000 . 302 25 28 LYS CG C 24.898 0.048 . 303 25 28 LYS CD C 29.531 0.000 . 304 25 28 LYS CE C 41.506 0.000 . 305 25 28 LYS N N 115.888 0.000 . 306 26 29 LYS H H 10.658 0.000 . 307 26 29 LYS HA H 4.020 0.000 . 308 26 29 LYS HB2 H 1.735 0.000 . 309 26 29 LYS HB3 H 2.197 0.000 . 310 26 29 LYS HG2 H 1.512 0.000 . 311 26 29 LYS HG3 H 1.512 0.000 . 312 26 29 LYS HD2 H 1.629 0.000 . 313 26 29 LYS HD3 H 1.629 0.000 . 314 26 29 LYS HE2 H 3.006 0.000 . 315 26 29 LYS HE3 H 3.006 0.000 . 316 26 29 LYS CA C 58.998 0.000 . 317 26 29 LYS CB C 30.190 0.040 . 318 26 29 LYS CG C 24.861 0.000 . 319 26 29 LYS CD C 27.723 0.000 . 320 26 29 LYS CE C 41.900 0.000 . 321 26 29 LYS N N 120.808 0.000 . 322 27 30 GLN H H 9.962 0.000 . 323 27 30 GLN HA H 4.275 0.000 . 324 27 30 GLN HE21 H 9.343 0.000 . 325 27 30 GLN HE22 H 7.180 0.000 . 326 27 30 GLN CA C 59.586 0.000 . 327 27 30 GLN N N 120.573 0.000 . 328 27 30 GLN NE2 N 112.093 0.004 . 329 28 31 CYS H H 8.607 0.000 . 330 28 31 CYS HA H 4.239 0.000 . 331 28 31 CYS HB2 H 2.810 0.000 . 332 28 31 CYS HB3 H 2.972 0.000 . 333 28 31 CYS CA C 64.480 0.000 . 334 28 31 CYS CB C 26.704 0.002 . 335 28 31 CYS N N 119.033 0.000 . 336 29 32 ARG H H 8.771 0.000 . 337 29 32 ARG HA H 3.889 0.000 . 338 29 32 ARG HG2 H 1.513 0.000 . 339 29 32 ARG HG3 H 1.846 0.000 . 340 29 32 ARG CA C 59.310 0.000 . 341 29 32 ARG CG C 28.526 0.006 . 342 29 32 ARG N N 119.259 0.000 . 343 30 33 ARG H H 7.856 0.000 . 344 30 33 ARG HA H 3.938 0.000 . 345 30 33 ARG HB2 H 1.842 0.000 . 346 30 33 ARG HB3 H 1.842 0.000 . 347 30 33 ARG CA C 58.255 0.000 . 348 30 33 ARG CB C 28.878 0.000 . 349 30 33 ARG N N 119.856 0.000 . 350 31 34 LEU H H 7.350 0.000 . 351 31 34 LEU HA H 4.103 0.000 . 352 31 34 LEU HB2 H 1.082 0.000 . 353 31 34 LEU HB3 H 1.801 0.000 . 354 31 34 LEU HG H 1.008 0.000 . 355 31 34 LEU HD1 H -0.227 0.000 . 356 31 34 LEU HD2 H 0.524 0.000 . 357 31 34 LEU CA C 58.244 0.000 . 358 31 34 LEU CB C 40.184 0.012 . 359 31 34 LEU CG C 27.069 0.000 . 360 31 34 LEU CD1 C 25.090 0.000 . 361 31 34 LEU CD2 C 22.687 0.000 . 362 31 34 LEU N N 120.652 0.000 . 363 32 35 GLY H H 8.016 0.000 . 364 32 35 GLY HA2 H 3.475 0.000 . 365 32 35 GLY HA3 H 4.106 0.000 . 366 32 35 GLY CA C 48.427 0.003 . 367 32 35 GLY N N 105.310 0.000 . 368 33 36 HIS H H 8.411 0.000 . 369 33 36 HIS HA H 4.239 0.000 . 370 33 36 HIS HB2 H 3.173 0.000 . 371 33 36 HIS HB3 H 3.211 0.000 . 372 33 36 HIS HD2 H 7.001 0.000 . 373 33 36 HIS HE1 H 7.910 0.000 . 374 33 36 HIS CA C 59.679 0.000 . 375 33 36 HIS CB C 30.446 0.000 . 376 33 36 HIS CD2 C 119.404 0.000 . 377 33 36 HIS CE1 C 138.056 0.000 . 378 33 36 HIS N N 120.662 0.000 . 379 34 37 ARG H H 8.710 0.000 . 380 34 37 ARG HA H 3.907 0.000 . 381 34 37 ARG CA C 59.565 0.000 . 382 34 37 ARG N N 121.930 0.000 . 383 35 38 VAL H H 8.567 0.000 . 384 35 38 VAL HA H 3.461 0.000 . 385 35 38 VAL HB H 2.190 0.000 . 386 35 38 VAL HG1 H 0.943 0.000 . 387 35 38 VAL HG2 H 0.917 0.000 . 388 35 38 VAL CA C 68.042 0.000 . 389 35 38 VAL CB C 31.289 0.000 . 390 35 38 VAL CG1 C 22.897 0.000 . 391 35 38 VAL CG2 C 23.909 0.000 . 392 35 38 VAL N N 118.787 0.000 . 393 36 39 LEU H H 7.990 0.000 . 394 36 39 LEU HA H 3.927 0.000 . 395 36 39 LEU HB2 H 1.413 0.000 . 396 36 39 LEU HB3 H 1.563 0.000 . 397 36 39 LEU HG H 1.546 0.000 . 398 36 39 LEU HD1 H 0.290 0.000 . 399 36 39 LEU HD2 H 0.413 0.000 . 400 36 39 LEU CA C 57.898 0.000 . 401 36 39 LEU CB C 41.415 0.005 . 402 36 39 LEU CG C 26.111 0.000 . 403 36 39 LEU CD1 C 23.866 0.000 . 404 36 39 LEU CD2 C 22.603 0.000 . 405 36 39 LEU N N 118.244 0.000 . 406 37 40 GLY H H 7.809 0.000 . 407 37 40 GLY HA2 H 3.785 0.000 . 408 37 40 GLY HA3 H 3.785 0.000 . 409 37 40 GLY CA C 46.683 0.000 . 410 37 40 GLY N N 104.960 0.000 . 411 38 41 LEU H H 7.803 0.000 . 412 38 41 LEU HA H 3.637 0.000 . 413 38 41 LEU HB2 H 1.858 0.000 . 414 38 41 LEU HB3 H 1.006 0.000 . 415 38 41 LEU HG H 1.829 0.000 . 416 38 41 LEU HD1 H -0.075 0.000 . 417 38 41 LEU HD2 H 0.811 0.000 . 418 38 41 LEU CA C 56.634 0.000 . 419 38 41 LEU CB C 41.767 0.019 . 420 38 41 LEU CG C 26.133 0.000 . 421 38 41 LEU CD1 C 21.164 0.000 . 422 38 41 LEU CD2 C 25.937 0.000 . 423 38 41 LEU N N 120.909 0.000 . 424 39 42 ILE H H 7.634 0.000 . 425 39 42 ILE HA H 4.267 0.000 . 426 39 42 ILE HB H 2.182 0.000 . 427 39 42 ILE HG12 H 1.667 0.000 . 428 39 42 ILE HG13 H 1.571 0.000 . 429 39 42 ILE HG2 H 1.102 0.000 . 430 39 42 ILE HD1 H 0.965 0.000 . 431 39 42 ILE CA C 62.686 0.000 . 432 39 42 ILE CB C 38.419 0.000 . 433 39 42 ILE CG1 C 27.800 0.021 . 434 39 42 ILE CG2 C 18.764 0.000 . 435 39 42 ILE CD1 C 14.535 0.000 . 436 39 42 ILE N N 108.744 0.000 . 437 40 43 LYS H H 7.600 0.000 . 438 40 43 LYS HA H 4.533 0.000 . 439 40 43 LYS HB2 H 2.001 0.000 . 440 40 43 LYS HB3 H 2.040 0.000 . 441 40 43 LYS HG2 H 1.537 0.000 . 442 40 43 LYS HG3 H 1.591 0.000 . 443 40 43 LYS HD2 H 1.739 0.000 . 444 40 43 LYS HD3 H 1.739 0.000 . 445 40 43 LYS HE2 H 2.942 0.000 . 446 40 43 LYS HE3 H 2.942 0.000 . 447 40 43 LYS CA C 60.654 0.000 . 448 40 43 LYS CB C 29.270 0.011 . 449 40 43 LYS CG C 24.819 0.004 . 450 40 43 LYS CD C 28.461 0.000 . 451 40 43 LYS CE C 41.781 0.000 . 452 40 43 LYS N N 122.822 0.000 . 453 41 44 PRO HA H 4.478 0.000 . 454 41 44 PRO HB2 H 1.809 0.000 . 455 41 44 PRO HB3 H 2.466 0.000 . 456 41 44 PRO HG2 H 2.174 0.000 . 457 41 44 PRO HG3 H 2.224 0.000 . 458 41 44 PRO HD2 H 3.616 0.000 . 459 41 44 PRO HD3 H 3.959 0.000 . 460 41 44 PRO CA C 65.632 0.000 . 461 41 44 PRO CB C 31.527 0.006 . 462 41 44 PRO CG C 28.449 0.005 . 463 41 44 PRO CD C 50.331 0.009 . 464 42 45 LEU H H 7.150 0.000 . 465 42 45 LEU HA H 4.139 0.000 . 466 42 45 LEU HB2 H 1.545 0.000 . 467 42 45 LEU HB3 H 2.241 0.000 . 468 42 45 LEU HG H 2.021 0.000 . 469 42 45 LEU HD1 H 0.917 0.000 . 470 42 45 LEU HD2 H 1.058 0.000 . 471 42 45 LEU CA C 57.300 0.000 . 472 42 45 LEU CB C 40.225 0.017 . 473 42 45 LEU CG C 27.371 0.000 . 474 42 45 LEU CD1 C 23.399 0.000 . 475 42 45 LEU CD2 C 26.444 0.000 . 476 42 45 LEU N N 115.338 0.000 . 477 43 46 GLU H H 8.323 0.000 . 478 43 46 GLU HA H 3.928 0.000 . 479 43 46 GLU HB2 H 2.348 0.000 . 480 43 46 GLU HB3 H 2.105 0.000 . 481 43 46 GLU HG2 H 2.136 0.000 . 482 43 46 GLU HG3 H 2.426 0.000 . 483 43 46 GLU CA C 59.780 0.000 . 484 43 46 GLU CB C 30.039 0.020 . 485 43 46 GLU CG C 37.920 0.005 . 486 43 46 GLU N N 119.972 0.000 . 487 44 47 MET H H 7.780 0.000 . 488 44 47 MET HA H 4.280 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 2.757 0.000 . 492 44 47 MET HG3 H 2.627 0.000 . 493 44 47 MET HE H 2.126 0.000 . 494 44 47 MET CA C 57.977 0.000 . 495 44 47 MET CB C 32.451 0.000 . 496 44 47 MET CG C 32.144 0.001 . 497 44 47 MET CE C 16.969 0.000 . 498 44 47 MET N N 117.108 0.000 . 499 45 48 LEU H H 7.759 0.000 . 500 45 48 LEU HA H 4.148 0.000 . 501 45 48 LEU HB2 H 1.826 0.000 . 502 45 48 LEU HB3 H 1.826 0.000 . 503 45 48 LEU HD1 H 0.874 0.000 . 504 45 48 LEU HD2 H 0.934 0.000 . 505 45 48 LEU CA C 57.017 0.000 . 506 45 48 LEU CB C 42.057 0.000 . 507 45 48 LEU CD1 C 24.504 0.000 . 508 45 48 LEU CD2 C 24.930 0.000 . 509 45 48 LEU N N 120.415 0.000 . 510 46 49 GLN H H 8.137 0.000 . 511 46 49 GLN HA H 4.091 0.000 . 512 46 49 GLN HB2 H 2.066 0.000 . 513 46 49 GLN HB3 H 2.224 0.000 . 514 46 49 GLN HG2 H 2.337 0.000 . 515 46 49 GLN HG3 H 2.337 0.000 . 516 46 49 GLN HE21 H 6.794 0.000 . 517 46 49 GLN HE22 H 7.592 0.000 . 518 46 49 GLN CA C 57.909 0.000 . 519 46 49 GLN CB C 29.349 0.008 . 520 46 49 GLN CG C 34.205 0.000 . 521 46 49 GLN N N 119.358 0.000 . 522 46 49 GLN NE2 N 110.424 0.006 . 523 47 50 ASP H H 8.053 0.000 . 524 47 50 ASP HA H 4.559 0.000 . 525 47 50 ASP HB2 H 2.744 0.000 . 526 47 50 ASP HB3 H 2.744 0.000 . 527 47 50 ASP CA C 55.606 0.000 . 528 47 50 ASP CB C 41.169 0.000 . 529 47 50 ASP N N 119.228 0.000 . 530 48 51 GLN H H 8.070 0.000 . 531 48 51 GLN HA H 4.256 0.000 . 532 48 51 GLN HB2 H 2.225 0.000 . 533 48 51 GLN HB3 H 2.111 0.000 . 534 48 51 GLN HG2 H 2.491 0.000 . 535 48 51 GLN HG3 H 2.491 0.000 . 536 48 51 GLN HE21 H 7.564 0.000 . 537 48 51 GLN HE22 H 6.940 0.000 . 538 48 51 GLN CA C 56.662 0.000 . 539 48 51 GLN CB C 29.067 0.005 . 540 48 51 GLN CG C 33.977 0.000 . 541 48 51 GLN N N 118.783 0.000 . 542 48 51 GLN NE2 N 112.065 0.002 . 543 49 52 GLY H H 8.219 0.000 . 544 49 52 GLY HA2 H 3.963 0.000 . 545 49 52 GLY HA3 H 3.963 0.000 . 546 49 52 GLY CA C 45.903 0.000 . 547 49 52 GLY N N 108.345 0.000 . 548 50 53 LYS H H 8.252 0.000 . 549 50 53 LYS HA H 4.312 0.000 . 550 50 53 LYS HB2 H 1.794 0.000 . 551 50 53 LYS HB3 H 1.883 0.000 . 552 50 53 LYS HG2 H 1.474 0.000 . 553 50 53 LYS HG3 H 1.419 0.000 . 554 50 53 LYS HD2 H 1.701 0.000 . 555 50 53 LYS HD3 H 1.701 0.000 . 556 50 53 LYS HE2 H 3.007 0.000 . 557 50 53 LYS HE3 H 3.007 0.000 . 558 50 53 LYS CA C 56.537 0.000 . 559 50 53 LYS CB C 32.599 0.000 . 560 50 53 LYS CG C 24.912 0.003 . 561 50 53 LYS CD C 29.011 0.000 . 562 50 53 LYS CE C 41.824 0.000 . 563 50 53 LYS N N 120.579 0.000 . 564 51 54 ARG H H 8.355 0.000 . 565 51 54 ARG HA H 4.419 0.000 . 566 51 54 ARG HB2 H 1.818 0.000 . 567 51 54 ARG HB3 H 1.936 0.000 . 568 51 54 ARG HG2 H 1.656 0.000 . 569 51 54 ARG HG3 H 1.656 0.000 . 570 51 54 ARG HD2 H 3.219 0.000 . 571 51 54 ARG HD3 H 3.219 0.000 . 572 51 54 ARG CA C 55.986 0.000 . 573 51 54 ARG CB C 30.853 0.005 . 574 51 54 ARG CG C 27.270 0.000 . 575 51 54 ARG CD C 43.329 0.000 . 576 51 54 ARG N N 121.031 0.000 . 577 52 55 SER H H 8.221 0.000 . 578 52 55 SER HA H 4.534 0.000 . 579 52 55 SER HB2 H 3.795 0.000 . 580 52 55 SER HB3 H 3.842 0.000 . 581 52 55 SER CA C 57.757 0.000 . 582 52 55 SER CB C 64.125 0.000 . 583 52 55 SER N N 116.816 0.000 . 584 53 56 VAL H H 8.465 0.000 . 585 53 56 VAL HA H 4.333 0.000 . 586 53 56 VAL HB H 2.059 0.000 . 587 53 56 VAL HG1 H 1.004 0.000 . 588 53 56 VAL HG2 H 1.004 0.000 . 589 53 56 VAL CA C 60.267 0.000 . 590 53 56 VAL CB C 32.484 0.000 . 591 53 56 VAL CG1 C 20.870 0.000 . 592 53 56 VAL CG2 C 20.870 0.000 . 593 53 56 VAL N N 124.416 0.000 . 594 54 57 PRO HA H 4.457 0.000 . 595 54 57 PRO HB2 H 2.125 0.000 . 596 54 57 PRO HB3 H 2.023 0.000 . 597 54 57 PRO HG2 H 1.913 0.000 . 598 54 57 PRO HG3 H 2.080 0.000 . 599 54 57 PRO HD2 H 3.718 0.000 . 600 54 57 PRO HD3 H 3.923 0.000 . 601 54 57 PRO CA C 62.929 0.000 . 602 54 57 PRO CB C 32.476 0.007 . 603 54 57 PRO CG C 27.447 0.017 . 604 54 57 PRO CD C 51.073 0.005 . 605 55 58 SER H H 9.002 0.000 . 606 55 58 SER HA H 4.397 0.000 . 607 55 58 SER HB2 H 4.055 0.000 . 608 55 58 SER HB3 H 4.304 0.000 . 609 55 58 SER CA C 58.188 0.000 . 610 55 58 SER CB C 64.081 0.000 . 611 55 58 SER N N 119.600 0.000 . 612 56 59 GLU H H 9.108 0.000 . 613 56 59 GLU HA H 4.151 0.000 . 614 56 59 GLU HB2 H 2.098 0.000 . 615 56 59 GLU HB3 H 2.098 0.000 . 616 56 59 GLU HG2 H 2.300 0.000 . 617 56 59 GLU HG3 H 2.388 0.000 . 618 56 59 GLU CA C 59.762 0.000 . 619 56 59 GLU CB C 29.183 0.000 . 620 56 59 GLU CG C 36.326 0.011 . 621 56 59 GLU N N 123.190 0.000 . 622 57 60 LYS H H 8.272 0.000 . 623 57 60 LYS HA H 4.040 0.000 . 624 57 60 LYS HB2 H 1.783 0.000 . 625 57 60 LYS HB3 H 1.865 0.000 . 626 57 60 LYS HG2 H 1.479 0.000 . 627 57 60 LYS HG3 H 1.646 0.000 . 628 57 60 LYS HD2 H 1.722 0.000 . 629 57 60 LYS HD3 H 1.722 0.000 . 630 57 60 LYS HE2 H 3.007 0.000 . 631 57 60 LYS HE3 H 3.007 0.000 . 632 57 60 LYS CA C 59.658 0.000 . 633 57 60 LYS CB C 32.645 0.002 . 634 57 60 LYS CG C 25.860 0.000 . 635 57 60 LYS CD C 29.175 0.000 . 636 57 60 LYS CE C 41.784 0.000 . 637 57 60 LYS N N 119.046 0.000 . 638 58 61 LEU H H 8.426 0.000 . 639 58 61 LEU HA H 4.130 0.000 . 640 58 61 LEU HB2 H 2.045 0.000 . 641 58 61 LEU HB3 H 1.569 0.000 . 642 58 61 LEU HG H 1.576 0.000 . 643 58 61 LEU HD1 H 0.914 0.000 . 644 58 61 LEU HD2 H 0.876 0.000 . 645 58 61 LEU CA C 58.021 0.000 . 646 58 61 LEU CB C 40.440 0.006 . 647 58 61 LEU CG C 27.552 0.000 . 648 58 61 LEU CD1 C 26.347 0.000 . 649 58 61 LEU CD2 C 24.366 0.000 . 650 58 61 LEU N N 123.020 0.000 . 651 59 62 THR H H 8.766 0.000 . 652 59 62 THR HA H 3.834 0.000 . 653 59 62 THR HB H 4.333 0.000 . 654 59 62 THR HG2 H 1.244 0.000 . 655 59 62 THR CA C 67.427 0.000 . 656 59 62 THR CB C 68.352 0.000 . 657 59 62 THR CG2 C 21.606 0.000 . 658 59 62 THR N N 118.345 0.000 . 659 60 63 THR H H 8.460 0.000 . 660 60 63 THR HA H 4.005 0.000 . 661 60 63 THR HB H 4.268 0.000 . 662 60 63 THR HG2 H 1.283 0.000 . 663 60 63 THR CA C 66.984 0.000 . 664 60 63 THR CB C 68.447 0.000 . 665 60 63 THR CG2 C 21.690 0.000 . 666 60 63 THR N N 118.592 0.000 . 667 61 64 ALA H H 8.025 0.000 . 668 61 64 ALA HA H 4.165 0.000 . 669 61 64 ALA HB H 1.443 0.000 . 670 61 64 ALA CA C 55.672 0.000 . 671 61 64 ALA CB C 18.604 0.000 . 672 61 64 ALA N N 124.946 0.000 . 673 62 65 MET H H 8.987 0.000 . 674 62 65 MET HA H 4.112 0.000 . 675 62 65 MET HB2 H 2.059 0.000 . 676 62 65 MET HB3 H 2.387 0.000 . 677 62 65 MET HG2 H 2.786 0.000 . 678 62 65 MET HG3 H 2.381 0.000 . 679 62 65 MET HE H 2.052 0.000 . 680 62 65 MET CA C 59.723 0.000 . 681 62 65 MET CB C 32.549 0.022 . 682 62 65 MET CG C 33.513 0.007 . 683 62 65 MET CE C 17.161 0.000 . 684 62 65 MET N N 118.610 0.000 . 685 63 66 ASN H H 8.492 0.000 . 686 63 66 ASN HA H 4.633 0.000 . 687 63 66 ASN HB2 H 2.879 0.000 . 688 63 66 ASN HB3 H 3.099 0.000 . 689 63 66 ASN HD21 H 6.973 0.000 . 690 63 66 ASN HD22 H 7.674 0.000 . 691 63 66 ASN CA C 56.024 0.000 . 692 63 66 ASN CB C 37.439 0.001 . 693 63 66 ASN N N 119.728 0.000 . 694 63 66 ASN ND2 N 111.790 0.010 . 695 64 67 ARG H H 8.470 0.000 . 696 64 67 ARG HA H 4.230 0.000 . 697 64 67 ARG HB2 H 2.000 0.000 . 698 64 67 ARG HB3 H 2.000 0.000 . 699 64 67 ARG HG2 H 1.733 0.000 . 700 64 67 ARG HG3 H 1.733 0.000 . 701 64 67 ARG HD2 H 3.273 0.000 . 702 64 67 ARG HD3 H 3.273 0.000 . 703 64 67 ARG CA C 59.717 0.000 . 704 64 67 ARG CB C 30.580 0.000 . 705 64 67 ARG CG C 28.215 0.014 . 706 64 67 ARG CD C 43.689 0.000 . 707 64 67 ARG N N 122.946 0.000 . 708 65 68 PHE H H 8.591 0.000 . 709 65 68 PHE HA H 4.536 0.000 . 710 65 68 PHE HB2 H 3.313 0.000 . 711 65 68 PHE HB3 H 3.446 0.000 . 712 65 68 PHE HD1 H 7.262 0.000 . 713 65 68 PHE HD2 H 7.262 0.000 . 714 65 68 PHE CA C 60.176 0.000 . 715 65 68 PHE CB C 39.275 0.001 . 716 65 68 PHE CD1 C 131.157 0.000 . 717 65 68 PHE CD2 C 131.157 0.000 . 718 65 68 PHE N N 123.075 0.000 . 719 66 69 LYS H H 8.825 0.000 . 720 66 69 LYS HA H 3.619 0.000 . 721 66 69 LYS HB2 H 1.885 0.000 . 722 66 69 LYS HB3 H 2.187 0.000 . 723 66 69 LYS HG2 H 1.300 0.000 . 724 66 69 LYS HG3 H 1.438 0.000 . 725 66 69 LYS HE2 H 2.896 0.000 . 726 66 69 LYS HE3 H 2.896 0.000 . 727 66 69 LYS CA C 60.693 0.000 . 728 66 69 LYS CB C 32.356 0.012 . 729 66 69 LYS CG C 24.799 0.002 . 730 66 69 LYS CE C 41.504 0.000 . 731 66 69 LYS N N 120.173 0.000 . 732 67 70 ALA H H 7.968 0.000 . 733 67 70 ALA HA H 4.271 0.000 . 734 67 70 ALA HB H 1.550 0.000 . 735 67 70 ALA CA C 54.968 0.000 . 736 67 70 ALA CB C 17.900 0.000 . 737 67 70 ALA N N 118.884 0.000 . 738 68 71 ALA H H 7.963 0.000 . 739 68 71 ALA HA H 4.217 0.000 . 740 68 71 ALA HB H 1.560 0.000 . 741 68 71 ALA CA C 55.257 0.000 . 742 68 71 ALA CB C 17.860 0.000 . 743 68 71 ALA N N 122.227 0.000 . 744 69 72 LEU H H 8.190 0.000 . 745 69 72 LEU HA H 3.863 0.000 . 746 69 72 LEU HB2 H 1.085 0.000 . 747 69 72 LEU HB3 H 2.003 0.000 . 748 69 72 LEU HG H 1.207 0.000 . 749 69 72 LEU HD1 H 0.385 0.000 . 750 69 72 LEU HD2 H 0.555 0.000 . 751 69 72 LEU CA C 57.607 0.000 . 752 69 72 LEU CB C 41.365 0.012 . 753 69 72 LEU CG C 25.983 0.000 . 754 69 72 LEU CD1 C 27.096 0.000 . 755 69 72 LEU CD2 C 23.368 0.000 . 756 69 72 LEU N N 118.870 0.000 . 757 70 73 GLU H H 8.665 0.000 . 758 70 73 GLU HA H 3.981 0.000 . 759 70 73 GLU HB2 H 1.991 0.000 . 760 70 73 GLU HB3 H 2.253 0.000 . 761 70 73 GLU HG2 H 2.509 0.000 . 762 70 73 GLU HG3 H 2.225 0.000 . 763 70 73 GLU CA C 59.908 0.000 . 764 70 73 GLU CB C 28.985 0.008 . 765 70 73 GLU CG C 37.188 0.007 . 766 70 73 GLU N N 120.419 0.000 . 767 71 74 GLU H H 8.275 0.000 . 768 71 74 GLU HA H 4.099 0.000 . 769 71 74 GLU HB2 H 2.228 0.000 . 770 71 74 GLU HB3 H 2.228 0.000 . 771 71 74 GLU HG2 H 2.470 0.000 . 772 71 74 GLU HG3 H 2.110 0.000 . 773 71 74 GLU CA C 59.604 0.000 . 774 71 74 GLU CB C 29.266 0.000 . 775 71 74 GLU CG C 36.412 0.003 . 776 71 74 GLU N N 122.162 0.000 . 777 72 75 ALA H H 8.469 0.000 . 778 72 75 ALA HA H 3.923 0.000 . 779 72 75 ALA HB H 1.453 0.000 . 780 72 75 ALA CA C 55.871 0.000 . 781 72 75 ALA CB C 17.131 0.000 . 782 72 75 ALA N N 122.970 0.000 . 783 73 76 ASN H H 8.579 0.000 . 784 73 76 ASN HA H 4.493 0.000 . 785 73 76 ASN HB2 H 2.562 0.000 . 786 73 76 ASN HB3 H 2.942 0.000 . 787 73 76 ASN HD21 H 7.555 0.000 . 788 73 76 ASN HD22 H 6.461 0.000 . 789 73 76 ASN CA C 56.218 0.000 . 790 73 76 ASN CB C 38.746 0.003 . 791 73 76 ASN N N 115.798 0.000 . 792 73 76 ASN ND2 N 110.288 0.007 . 793 74 77 GLY H H 8.070 0.000 . 794 74 77 GLY HA2 H 3.918 0.000 . 795 74 77 GLY HA3 H 4.025 0.000 . 796 74 77 GLY CA C 46.962 0.000 . 797 74 77 GLY N N 105.333 0.000 . 798 75 78 GLU H H 8.121 0.000 . 799 75 78 GLU HA H 4.141 0.000 . 800 75 78 GLU HB2 H 2.137 0.000 . 801 75 78 GLU HB3 H 2.322 0.000 . 802 75 78 GLU CA C 58.673 0.000 . 803 75 78 GLU CB C 29.787 0.004 . 804 75 78 GLU N N 123.440 0.000 . 805 76 79 ILE H H 8.448 0.000 . 806 76 79 ILE HA H 3.848 0.000 . 807 76 79 ILE HB H 2.065 0.000 . 808 76 79 ILE HG12 H 1.077 0.000 . 809 76 79 ILE HG13 H 1.628 0.000 . 810 76 79 ILE HG2 H 0.945 0.000 . 811 76 79 ILE HD1 H 0.808 0.000 . 812 76 79 ILE CA C 65.581 0.000 . 813 76 79 ILE CB C 37.869 0.000 . 814 76 79 ILE CG1 C 29.038 0.016 . 815 76 79 ILE CG2 C 17.857 0.000 . 816 76 79 ILE CD1 C 16.741 0.000 . 817 76 79 ILE N N 120.432 0.000 . 818 77 80 GLU H H 7.916 0.000 . 819 77 80 GLU HA H 3.940 0.000 . 820 77 80 GLU HB2 H 2.118 0.000 . 821 77 80 GLU HB3 H 2.118 0.000 . 822 77 80 GLU HG2 H 2.275 0.000 . 823 77 80 GLU HG3 H 2.275 0.000 . 824 77 80 GLU CA C 59.780 0.000 . 825 77 80 GLU CB C 29.182 0.000 . 826 77 80 GLU CG C 35.502 0.000 . 827 77 80 GLU N N 119.437 0.000 . 828 78 81 LYS H H 7.768 0.000 . 829 78 81 LYS HA H 3.919 0.000 . 830 78 81 LYS HB2 H 1.548 0.000 . 831 78 81 LYS HB3 H 1.651 0.000 . 832 78 81 LYS HG2 H 0.559 0.000 . 833 78 81 LYS HG3 H 1.245 0.000 . 834 78 81 LYS HD2 H 1.258 0.000 . 835 78 81 LYS HD3 H 1.366 0.000 . 836 78 81 LYS HE2 H 2.343 0.000 . 837 78 81 LYS HE3 H 2.513 0.000 . 838 78 81 LYS CA C 59.778 0.000 . 839 78 81 LYS CB C 32.151 0.002 . 840 78 81 LYS CG C 24.139 0.004 . 841 78 81 LYS CD C 29.191 0.001 . 842 78 81 LYS CE C 41.098 0.001 . 843 78 81 LYS N N 121.581 0.000 . 844 79 82 PHE H H 8.261 0.000 . 845 79 82 PHE HA H 4.737 0.000 . 846 79 82 PHE HB2 H 2.754 0.000 . 847 79 82 PHE HB3 H 3.350 0.000 . 848 79 82 PHE HD1 H 6.826 0.000 . 849 79 82 PHE HD2 H 6.826 0.000 . 850 79 82 PHE HE1 H 6.937 0.000 . 851 79 82 PHE HE2 H 6.937 0.000 . 852 79 82 PHE CA C 58.086 0.000 . 853 79 82 PHE CB C 36.734 0.021 . 854 79 82 PHE CD1 C 130.508 0.000 . 855 79 82 PHE CD2 C 130.508 0.000 . 856 79 82 PHE CE1 C 131.344 0.000 . 857 79 82 PHE CE2 C 131.344 0.000 . 858 79 82 PHE N N 115.844 0.000 . 859 80 83 SER H H 7.715 0.000 . 860 80 83 SER HA H 4.539 0.000 . 861 80 83 SER HB2 H 4.097 0.000 . 862 80 83 SER HB3 H 4.149 0.000 . 863 80 83 SER CA C 60.648 0.000 . 864 80 83 SER CB C 63.431 0.012 . 865 80 83 SER N N 113.266 0.000 . 866 81 84 ASN H H 7.343 0.000 . 867 81 84 ASN HA H 5.013 0.000 . 868 81 84 ASN HB2 H 2.900 0.000 . 869 81 84 ASN HB3 H 3.060 0.000 . 870 81 84 ASN HD21 H 7.104 0.000 . 871 81 84 ASN HD22 H 7.758 0.000 . 872 81 84 ASN CA C 52.103 0.000 . 873 81 84 ASN CB C 40.196 0.000 . 874 81 84 ASN N N 119.490 0.000 . 875 81 84 ASN ND2 N 113.651 0.001 . 876 82 85 ARG HA H 3.595 0.000 . 877 82 85 ARG HB2 H 1.747 0.000 . 878 82 85 ARG HG2 H 1.122 0.000 . 879 82 85 ARG HD2 H 3.057 0.000 . 880 82 85 ARG HD3 H 2.995 0.000 . 881 82 85 ARG CA C 59.772 0.000 . 882 82 85 ARG CB C 30.179 0.000 . 883 82 85 ARG CG C 27.252 0.000 . 884 82 85 ARG CD C 43.109 0.007 . 885 83 86 SER H H 8.477 0.000 . 886 83 86 SER HA H 4.253 0.000 . 887 83 86 SER HB2 H 3.962 0.000 . 888 83 86 SER HB3 H 3.962 0.000 . 889 83 86 SER CA C 61.808 0.000 . 890 83 86 SER CB C 62.283 0.000 . 891 83 86 SER N N 114.697 0.000 . 892 84 87 ASN HA H 4.630 0.000 . 893 84 87 ASN HB2 H 2.614 0.000 . 894 84 87 ASN HB3 H 3.339 0.000 . 895 84 87 ASN HD21 H 7.248 0.000 . 896 84 87 ASN HD22 H 8.316 0.000 . 897 84 87 ASN CA C 55.313 0.000 . 898 84 87 ASN CB C 37.403 0.007 . 899 84 87 ASN ND2 N 113.366 0.002 . 900 85 88 ILE H H 7.811 0.000 . 901 85 88 ILE HA H 3.830 0.000 . 902 85 88 ILE HB H 2.038 0.000 . 903 85 88 ILE HG12 H 1.002 0.000 . 904 85 88 ILE HG13 H 1.577 0.000 . 905 85 88 ILE HG2 H 0.438 0.000 . 906 85 88 ILE HD1 H 0.873 0.000 . 907 85 88 ILE CA C 65.316 0.000 . 908 85 88 ILE CB C 37.158 0.000 . 909 85 88 ILE CG1 C 28.982 0.008 . 910 85 88 ILE CG2 C 18.005 0.000 . 911 85 88 ILE CD1 C 13.996 0.000 . 912 85 88 ILE N N 122.318 0.000 . 913 86 89 CYS H H 8.407 0.000 . 914 86 89 CYS HA H 3.978 0.000 . 915 86 89 CYS HB2 H 3.109 0.000 . 916 86 89 CYS HB3 H 3.109 0.000 . 917 86 89 CYS CA C 63.737 0.000 . 918 86 89 CYS CB C 26.665 0.000 . 919 86 89 CYS N N 119.353 0.000 . 920 87 90 ARG H H 7.969 0.000 . 921 87 90 ARG HA H 4.042 0.000 . 922 87 90 ARG HB2 H 1.967 0.000 . 923 87 90 ARG HB3 H 1.967 0.000 . 924 87 90 ARG HG2 H 1.696 0.000 . 925 87 90 ARG HG3 H 1.844 0.000 . 926 87 90 ARG HD2 H 3.262 0.000 . 927 87 90 ARG HD3 H 3.262 0.000 . 928 87 90 ARG CA C 59.603 0.000 . 929 87 90 ARG CB C 30.332 0.000 . 930 87 90 ARG CG C 27.781 0.021 . 931 87 90 ARG CD C 43.330 0.000 . 932 87 90 ARG N N 119.136 0.000 . 933 88 91 PHE H H 7.812 0.000 . 934 88 91 PHE HA H 4.250 0.000 . 935 88 91 PHE HB2 H 3.153 0.000 . 936 88 91 PHE HB3 H 3.414 0.000 . 937 88 91 PHE HD1 H 7.069 0.000 . 938 88 91 PHE HD2 H 7.069 0.000 . 939 88 91 PHE CA C 61.452 0.000 . 940 88 91 PHE CB C 39.708 0.010 . 941 88 91 PHE CD1 C 132.254 0.000 . 942 88 91 PHE CD2 C 132.254 0.000 . 943 88 91 PHE N N 120.380 0.000 . 944 89 92 LEU H H 8.708 0.000 . 945 89 92 LEU HA H 3.655 0.000 . 946 89 92 LEU HB2 H 1.236 0.000 . 947 89 92 LEU HB3 H 1.732 0.000 . 948 89 92 LEU HG H 1.715 0.000 . 949 89 92 LEU HD1 H 0.403 0.000 . 950 89 92 LEU HD2 H 0.766 0.000 . 951 89 92 LEU CA C 57.395 0.000 . 952 89 92 LEU CB C 41.585 0.002 . 953 89 92 LEU CG C 26.818 0.000 . 954 89 92 LEU CD1 C 26.428 0.000 . 955 89 92 LEU CD2 C 22.771 0.000 . 956 89 92 LEU N N 118.226 0.000 . 957 90 93 THR H H 7.769 0.000 . 958 90 93 THR HA H 3.999 0.000 . 959 90 93 THR HB H 4.224 0.000 . 960 90 93 THR HG2 H 1.257 0.000 . 961 90 93 THR CA C 65.272 0.000 . 962 90 93 THR CB C 68.869 0.000 . 963 90 93 THR CG2 C 21.427 0.000 . 964 90 93 THR N N 112.248 0.000 . 965 91 94 ALA H H 7.235 0.000 . 966 91 94 ALA HA H 4.294 0.000 . 967 91 94 ALA HB H 1.369 0.000 . 968 91 94 ALA CA C 52.861 0.000 . 969 91 94 ALA CB C 19.842 0.000 . 970 91 94 ALA N N 122.335 0.000 . 971 92 95 SER H H 7.557 0.000 . 972 92 95 SER HA H 4.154 0.000 . 973 92 95 SER HB2 H 3.089 0.000 . 974 92 95 SER HB3 H 3.089 0.000 . 975 92 95 SER CA C 57.500 0.000 . 976 92 95 SER CB C 63.927 0.000 . 977 92 95 SER N N 113.080 0.000 . 978 93 96 GLN HA H 4.242 0.000 . 979 93 96 GLN HB2 H 2.045 0.000 . 980 93 96 GLN HB3 H 2.121 0.000 . 981 93 96 GLN HG2 H 2.396 0.000 . 982 93 96 GLN HG3 H 2.396 0.000 . 983 93 96 GLN HE21 H 6.883 0.000 . 984 93 96 GLN HE22 H 7.549 0.000 . 985 93 96 GLN CA C 57.696 0.000 . 986 93 96 GLN CB C 28.952 0.010 . 987 93 96 GLN CG C 33.910 0.000 . 988 93 96 GLN NE2 N 112.900 0.001 . 989 94 97 ASP H H 7.869 0.000 . 990 94 97 ASP HA H 4.588 0.000 . 991 94 97 ASP HB2 H 2.592 0.000 . 992 94 97 ASP HB3 H 2.893 0.000 . 993 94 97 ASP CA C 53.994 0.000 . 994 94 97 ASP CB C 41.539 0.044 . 995 94 97 ASP N N 116.596 0.000 . 996 96 99 ILE HA H 4.356 0.000 . 997 96 99 ILE HB H 1.709 0.000 . 998 96 99 ILE HG12 H 1.518 0.000 . 999 96 99 ILE HG2 H 0.973 0.000 . 1000 96 99 ILE HD1 H 0.822 0.000 . 1001 96 99 ILE CA C 60.836 0.000 . 1002 96 99 ILE CB C 37.917 0.000 . 1003 96 99 ILE CG1 C 27.467 0.000 . 1004 96 99 ILE CG2 C 18.921 0.000 . 1005 96 99 ILE CD1 C 13.513 0.000 . 1006 97 100 LEU H H 8.696 0.000 . 1007 97 100 LEU HA H 3.137 0.000 . 1008 97 100 LEU HB2 H 0.216 0.000 . 1009 97 100 LEU HB3 H 0.524 0.000 . 1010 97 100 LEU HG H 0.137 0.000 . 1011 97 100 LEU HD1 H -0.373 0.000 . 1012 97 100 LEU HD2 H -0.244 0.000 . 1013 97 100 LEU CA C 57.927 0.000 . 1014 97 100 LEU CB C 42.943 0.002 . 1015 97 100 LEU CG C 26.096 0.000 . 1016 97 100 LEU CD1 C 23.270 0.000 . 1017 97 100 LEU CD2 C 24.162 0.000 . 1018 97 100 LEU N N 131.209 0.000 . 1019 98 101 PHE H H 8.524 0.000 . 1020 98 101 PHE HA H 5.126 0.000 . 1021 98 101 PHE HB2 H 3.424 0.000 . 1022 98 101 PHE HB3 H 2.654 0.000 . 1023 98 101 PHE HD1 H 7.141 0.000 . 1024 98 101 PHE HD2 H 7.141 0.000 . 1025 98 101 PHE CA C 55.590 0.000 . 1026 98 101 PHE CB C 37.526 0.002 . 1027 98 101 PHE CD1 C 131.778 0.000 . 1028 98 101 PHE CD2 C 131.778 0.000 . 1029 98 101 PHE N N 113.743 0.000 . 1030 99 102 LYS H H 6.836 0.000 . 1031 99 102 LYS HA H 3.892 0.000 . 1032 99 102 LYS HB2 H 1.862 0.000 . 1033 99 102 LYS HB3 H 1.924 0.000 . 1034 99 102 LYS HG2 H 1.416 0.000 . 1035 99 102 LYS HG3 H 1.647 0.000 . 1036 99 102 LYS HD2 H 1.839 0.000 . 1037 99 102 LYS HD3 H 1.878 0.000 . 1038 99 102 LYS HE2 H 3.034 0.000 . 1039 99 102 LYS HE3 H 3.114 0.000 . 1040 99 102 LYS CA C 61.144 0.000 . 1041 99 102 LYS CB C 33.486 0.005 . 1042 99 102 LYS CG C 24.248 0.002 . 1043 99 102 LYS CD C 29.544 0.007 . 1044 99 102 LYS CE C 41.791 0.014 . 1045 99 102 LYS N N 119.514 0.000 . 1046 100 103 ASP H H 8.611 0.000 . 1047 100 103 ASP HA H 4.640 0.000 . 1048 100 103 ASP HB2 H 2.728 0.000 . 1049 100 103 ASP HB3 H 2.806 0.000 . 1050 100 103 ASP CA C 57.804 0.000 . 1051 100 103 ASP CB C 40.395 0.019 . 1052 100 103 ASP N N 117.903 0.000 . 1053 101 104 VAL H H 8.326 0.000 . 1054 101 104 VAL HA H 3.882 0.000 . 1055 101 104 VAL HB H 2.200 0.000 . 1056 101 104 VAL HG1 H 1.155 0.000 . 1057 101 104 VAL HG2 H 1.002 0.000 . 1058 101 104 VAL CA C 65.788 0.000 . 1059 101 104 VAL CB C 32.172 0.000 . 1060 101 104 VAL CG1 C 23.552 0.000 . 1061 101 104 VAL CG2 C 21.451 0.000 . 1062 101 104 VAL N N 122.725 0.000 . 1063 102 105 ASN H H 9.142 0.000 . 1064 102 105 ASN HA H 4.594 0.000 . 1065 102 105 ASN HB2 H 2.946 0.000 . 1066 102 105 ASN HB3 H 3.041 0.000 . 1067 102 105 ASN HD21 H 5.631 0.000 . 1068 102 105 ASN HD22 H 7.850 0.000 . 1069 102 105 ASN CA C 56.193 0.000 . 1070 102 105 ASN CB C 37.723 0.006 . 1071 102 105 ASN N N 121.163 0.000 . 1072 102 105 ASN ND2 N 105.880 0.010 . 1073 103 106 ARG H H 7.721 0.000 . 1074 103 106 ARG HA H 4.196 0.000 . 1075 103 106 ARG HB2 H 2.068 0.000 . 1076 103 106 ARG HB3 H 2.191 0.000 . 1077 103 106 ARG HG2 H 1.778 0.000 . 1078 103 106 ARG HG3 H 1.778 0.000 . 1079 103 106 ARG HD2 H 3.290 0.000 . 1080 103 106 ARG HD3 H 3.366 0.000 . 1081 103 106 ARG CA C 59.031 0.000 . 1082 103 106 ARG CB C 29.697 0.009 . 1083 103 106 ARG CG C 26.925 0.000 . 1084 103 106 ARG CD C 43.044 0.006 . 1085 103 106 ARG N N 120.906 0.000 . 1086 104 107 LYS H H 7.986 0.000 . 1087 104 107 LYS HA H 4.226 0.000 . 1088 104 107 LYS HB2 H 1.989 0.000 . 1089 104 107 LYS HB3 H 2.057 0.000 . 1090 104 107 LYS HG2 H 1.539 0.000 . 1091 104 107 LYS HG3 H 1.718 0.000 . 1092 104 107 LYS HD2 H 1.671 0.000 . 1093 104 107 LYS HD3 H 1.828 0.000 . 1094 104 107 LYS HE2 H 2.953 0.000 . 1095 104 107 LYS HE3 H 2.953 0.000 . 1096 104 107 LYS CA C 60.131 0.000 . 1097 104 107 LYS CB C 32.392 0.004 . 1098 104 107 LYS CG C 25.945 0.003 . 1099 104 107 LYS CD C 29.048 0.011 . 1100 104 107 LYS CE C 41.744 0.000 . 1101 104 107 LYS N N 119.717 0.000 . 1102 105 108 LEU H H 9.063 0.000 . 1103 105 108 LEU HA H 4.089 0.000 . 1104 105 108 LEU HB2 H 2.334 0.000 . 1105 105 108 LEU HB3 H 1.571 0.000 . 1106 105 108 LEU HG H 1.961 0.000 . 1107 105 108 LEU HD1 H 0.768 0.000 . 1108 105 108 LEU HD2 H 0.783 0.000 . 1109 105 108 LEU CA C 58.393 0.000 . 1110 105 108 LEU CB C 42.346 0.010 . 1111 105 108 LEU CG C 26.913 0.000 . 1112 105 108 LEU CD1 C 25.872 0.000 . 1113 105 108 LEU CD2 C 23.870 0.000 . 1114 105 108 LEU N N 118.491 0.000 . 1115 106 109 SER H H 8.158 0.000 . 1116 106 109 SER HA H 3.846 0.000 . 1117 106 109 SER HB2 H 3.719 0.000 . 1118 106 109 SER HB3 H 3.835 0.000 . 1119 106 109 SER CA C 61.425 0.000 . 1120 106 109 SER CB C 62.612 0.001 . 1121 106 109 SER N N 112.497 0.000 . 1122 107 110 ASP H H 8.490 0.000 . 1123 107 110 ASP HA H 4.470 0.000 . 1124 107 110 ASP HB2 H 2.975 0.000 . 1125 107 110 ASP HB3 H 2.734 0.000 . 1126 107 110 ASP CA C 57.780 0.000 . 1127 107 110 ASP CB C 40.502 0.027 . 1128 107 110 ASP N N 121.983 0.000 . 1129 108 111 VAL H H 8.757 0.000 . 1130 108 111 VAL HA H 4.037 0.000 . 1131 108 111 VAL HB H 2.358 0.000 . 1132 108 111 VAL HG1 H 1.101 0.000 . 1133 108 111 VAL HG2 H 1.241 0.000 . 1134 108 111 VAL CA C 65.588 0.000 . 1135 108 111 VAL CB C 31.349 0.000 . 1136 108 111 VAL CG1 C 22.176 0.000 . 1137 108 111 VAL CG2 C 23.140 0.000 . 1138 108 111 VAL N N 119.445 0.000 . 1139 109 112 TRP H H 8.766 0.000 . 1140 109 112 TRP HA H 4.329 0.000 . 1141 109 112 TRP HB2 H 3.352 0.000 . 1142 109 112 TRP HB3 H 3.429 0.000 . 1143 109 112 TRP HD1 H 6.960 0.000 . 1144 109 112 TRP HE1 H 10.041 0.000 . 1145 109 112 TRP HE3 H 7.038 0.000 . 1146 109 112 TRP HZ2 H 7.388 0.000 . 1147 109 112 TRP HZ3 H 6.720 0.000 . 1148 109 112 TRP HH2 H 7.028 0.000 . 1149 109 112 TRP CA C 60.312 0.000 . 1150 109 112 TRP CB C 29.458 0.008 . 1151 109 112 TRP CD1 C 126.527 0.000 . 1152 109 112 TRP CE3 C 120.692 0.000 . 1153 109 112 TRP CZ2 C 114.261 0.000 . 1154 109 112 TRP CZ3 C 121.996 0.000 . 1155 109 112 TRP CH2 C 124.764 0.000 . 1156 109 112 TRP N N 122.034 0.000 . 1157 109 112 TRP NE1 N 127.876 0.000 . 1158 110 113 LYS H H 8.056 0.000 . 1159 110 113 LYS HA H 3.687 0.000 . 1160 110 113 LYS HB2 H 2.020 0.000 . 1161 110 113 LYS HB3 H 1.954 0.000 . 1162 110 113 LYS HG2 H 1.428 0.000 . 1163 110 113 LYS HG3 H 1.656 0.000 . 1164 110 113 LYS HD2 H 1.717 0.000 . 1165 110 113 LYS HD3 H 1.717 0.000 . 1166 110 113 LYS HE2 H 2.962 0.000 . 1167 110 113 LYS HE3 H 2.962 0.000 . 1168 110 113 LYS CA C 60.389 0.000 . 1169 110 113 LYS CB C 32.143 0.005 . 1170 110 113 LYS CG C 25.173 0.005 . 1171 110 113 LYS CD C 29.451 0.000 . 1172 110 113 LYS CE C 41.984 0.000 . 1173 110 113 LYS N N 119.510 0.000 . 1174 111 114 GLU H H 7.110 0.000 . 1175 111 114 GLU HA H 4.063 0.000 . 1176 111 114 GLU HB2 H 2.104 0.000 . 1177 111 114 GLU HB3 H 2.104 0.000 . 1178 111 114 GLU HG2 H 2.354 0.000 . 1179 111 114 GLU HG3 H 2.354 0.000 . 1180 111 114 GLU CA C 58.704 0.000 . 1181 111 114 GLU CB C 30.261 0.000 . 1182 111 114 GLU CG C 36.136 0.005 . 1183 111 114 GLU N N 116.839 0.000 . 1184 112 115 LEU H H 8.460 0.000 . 1185 112 115 LEU HA H 3.780 0.000 . 1186 112 115 LEU HB2 H 1.323 0.000 . 1187 112 115 LEU HB3 H 1.427 0.000 . 1188 112 115 LEU HG H 1.262 0.000 . 1189 112 115 LEU HD1 H 0.590 0.000 . 1190 112 115 LEU HD2 H 0.698 0.000 . 1191 112 115 LEU CA C 57.796 0.000 . 1192 112 115 LEU CB C 42.291 0.013 . 1193 112 115 LEU CG C 26.826 0.000 . 1194 112 115 LEU CD1 C 25.785 0.000 . 1195 112 115 LEU CD2 C 24.636 0.000 . 1196 112 115 LEU N N 119.289 0.000 . 1197 113 116 SER H H 8.530 0.000 . 1198 113 116 SER HA H 3.286 0.000 . 1199 113 116 SER HB2 H 2.609 0.000 . 1200 113 116 SER HB3 H 3.018 0.000 . 1201 113 116 SER CA C 61.583 0.000 . 1202 113 116 SER CB C 61.759 0.001 . 1203 113 116 SER N N 113.169 0.000 . 1204 114 117 LEU H H 6.882 0.000 . 1205 114 117 LEU HA H 4.083 0.000 . 1206 114 117 LEU HB2 H 1.672 0.000 . 1207 114 117 LEU HB3 H 1.672 0.000 . 1208 114 117 LEU HD1 H 0.899 0.000 . 1209 114 117 LEU HD2 H 0.870 0.000 . 1210 114 117 LEU CA C 57.783 0.000 . 1211 114 117 LEU CB C 41.798 0.000 . 1212 114 117 LEU CD1 C 24.416 0.000 . 1213 114 117 LEU CD2 C 24.129 0.000 . 1214 114 117 LEU N N 121.391 0.000 . 1215 115 118 LEU H H 7.354 0.000 . 1216 115 118 LEU HA H 4.111 0.000 . 1217 115 118 LEU HB2 H 1.863 0.000 . 1218 115 118 LEU HB3 H 1.343 0.000 . 1219 115 118 LEU HG H 1.794 0.000 . 1220 115 118 LEU HD1 H 0.738 0.000 . 1221 115 118 LEU HD2 H 0.821 0.000 . 1222 115 118 LEU CA C 57.628 0.000 . 1223 115 118 LEU CB C 43.095 0.004 . 1224 115 118 LEU CG C 26.787 0.000 . 1225 115 118 LEU CD1 C 26.748 0.000 . 1226 115 118 LEU CD2 C 22.972 0.000 . 1227 115 118 LEU N N 118.280 0.000 . 1228 116 119 LEU H H 8.442 0.000 . 1229 116 119 LEU HA H 3.896 0.000 . 1230 116 119 LEU HB2 H 1.871 0.000 . 1231 116 119 LEU HB3 H 1.373 0.000 . 1232 116 119 LEU HG H 1.681 0.000 . 1233 116 119 LEU HD1 H 0.684 0.000 . 1234 116 119 LEU HD2 H 0.771 0.000 . 1235 116 119 LEU CA C 57.525 0.000 . 1236 116 119 LEU CB C 41.535 0.021 . 1237 116 119 LEU CG C 26.752 0.000 . 1238 116 119 LEU CD1 C 26.290 0.000 . 1239 116 119 LEU CD2 C 23.509 0.000 . 1240 116 119 LEU N N 118.819 0.000 . 1241 117 120 GLN H H 8.004 0.000 . 1242 117 120 GLN HA H 4.352 0.000 . 1243 117 120 GLN HB2 H 2.223 0.000 . 1244 117 120 GLN HB3 H 2.223 0.000 . 1245 117 120 GLN HG2 H 2.306 0.000 . 1246 117 120 GLN HG3 H 2.491 0.000 . 1247 117 120 GLN HE21 H 6.836 0.000 . 1248 117 120 GLN HE22 H 7.312 0.000 . 1249 117 120 GLN CA C 58.593 0.000 . 1250 117 120 GLN CB C 28.741 0.000 . 1251 117 120 GLN CG C 34.178 0.024 . 1252 117 120 GLN N N 119.043 0.000 . 1253 117 120 GLN NE2 N 111.287 0.000 . 1254 118 121 VAL H H 8.149 0.000 . 1255 118 121 VAL HA H 3.859 0.000 . 1256 118 121 VAL HB H 2.121 0.000 . 1257 118 121 VAL HG1 H 0.996 0.000 . 1258 118 121 VAL HG2 H 1.090 0.000 . 1259 118 121 VAL CA C 65.291 0.000 . 1260 118 121 VAL CB C 32.812 0.000 . 1261 118 121 VAL CG1 C 21.147 0.000 . 1262 118 121 VAL CG2 C 22.085 0.000 . 1263 118 121 VAL N N 117.858 0.000 . 1264 119 122 GLU H H 8.660 0.000 . 1265 119 122 GLU HA H 4.318 0.000 . 1266 119 122 GLU HB2 H 2.066 0.000 . 1267 119 122 GLU HB3 H 2.182 0.000 . 1268 119 122 GLU HG2 H 2.479 0.000 . 1269 119 122 GLU HG3 H 2.232 0.000 . 1270 119 122 GLU CA C 58.251 0.000 . 1271 119 122 GLU CB C 30.491 0.005 . 1272 119 122 GLU CG C 37.074 0.027 . 1273 119 122 GLU N N 117.413 0.000 . 1274 120 123 GLN HA H 4.498 0.000 . 1275 120 123 GLN HB2 H 2.452 0.000 . 1276 120 123 GLN HB3 H 2.089 0.000 . 1277 120 123 GLN HG2 H 2.187 0.000 . 1278 120 123 GLN HG3 H 2.238 0.000 . 1279 120 123 GLN HE21 H 7.364 0.000 . 1280 120 123 GLN HE22 H 6.794 0.000 . 1281 120 123 GLN CA C 54.711 0.000 . 1282 120 123 GLN CB C 28.626 0.044 . 1283 120 123 GLN CG C 33.400 0.009 . 1284 120 123 GLN NE2 N 111.099 0.001 . 1285 121 124 ARG H H 7.552 0.000 . 1286 121 124 ARG HA H 4.179 0.000 . 1287 121 124 ARG HG2 H 1.566 0.000 . 1288 121 124 ARG HG3 H 1.566 0.000 . 1289 121 124 ARG HD2 H 3.164 0.000 . 1290 121 124 ARG HD3 H 3.212 0.000 . 1291 121 124 ARG CA C 56.516 0.000 . 1292 121 124 ARG CG C 27.352 0.000 . 1293 121 124 ARG CD C 43.123 0.000 . 1294 121 124 ARG N N 115.305 0.000 . 1295 122 125 MET H H 7.875 0.000 . 1296 122 125 MET HA H 4.703 0.000 . 1297 122 125 MET HB2 H 1.688 0.000 . 1298 122 125 MET HB3 H 1.863 0.000 . 1299 122 125 MET HG2 H 2.556 0.000 . 1300 122 125 MET HG3 H 2.556 0.000 . 1301 122 125 MET HE H 2.087 0.000 . 1302 122 125 MET CA C 53.388 0.000 . 1303 122 125 MET CB C 34.089 0.004 . 1304 122 125 MET CG C 31.939 0.000 . 1305 122 125 MET CE C 17.661 0.000 . 1306 122 125 MET N N 120.221 0.000 . 1307 123 126 PRO HA H 4.505 0.000 . 1308 123 126 PRO HB2 H 1.955 0.000 . 1309 123 126 PRO HB3 H 2.223 0.000 . 1310 123 126 PRO HG2 H 2.026 0.000 . 1311 123 126 PRO HG3 H 2.071 0.000 . 1312 123 126 PRO HD2 H 3.902 0.000 . 1313 123 126 PRO HD3 H 3.704 0.000 . 1314 123 126 PRO CA C 62.806 0.000 . 1315 123 126 PRO CB C 31.514 0.003 . 1316 123 126 PRO CG C 27.603 0.004 . 1317 123 126 PRO CD C 50.746 0.003 . 1318 124 127 VAL H H 8.165 0.000 . 1319 124 127 VAL HA H 4.118 0.000 . 1320 124 127 VAL HB H 2.004 0.000 . 1321 124 127 VAL HG1 H 0.907 0.000 . 1322 124 127 VAL HG2 H 0.892 0.000 . 1323 124 127 VAL CA C 61.700 0.000 . 1324 124 127 VAL CB C 33.338 0.000 . 1325 124 127 VAL CG1 C 21.496 0.000 . 1326 124 127 VAL CG2 C 20.868 0.000 . 1327 124 127 VAL N N 120.185 0.000 . 1328 125 128 SER H H 8.527 0.000 . 1329 125 128 SER HA H 4.808 0.000 . 1330 125 128 SER HB2 H 3.908 0.000 . 1331 125 128 SER HB3 H 3.908 0.000 . 1332 125 128 SER CA C 56.127 0.000 . 1333 125 128 SER CB C 63.578 0.000 . 1334 125 128 SER N N 121.574 0.000 . 1335 126 129 PRO HA H 4.506 0.000 . 1336 126 129 PRO HB2 H 2.282 0.000 . 1337 126 129 PRO HB3 H 1.957 0.000 . 1338 126 129 PRO HG2 H 2.000 0.000 . 1339 126 129 PRO HG3 H 2.000 0.000 . 1340 126 129 PRO HD2 H 3.777 0.000 . 1341 126 129 PRO HD3 H 3.837 0.000 . 1342 126 129 PRO CA C 63.594 0.000 . 1343 126 129 PRO CB C 32.011 0.059 . 1344 126 129 PRO CG C 27.400 0.000 . 1345 126 129 PRO CD C 50.907 0.007 . 1346 127 130 ILE H H 8.088 0.000 . 1347 127 130 ILE HA H 4.160 0.000 . 1348 127 130 ILE HB H 1.832 0.000 . 1349 127 130 ILE HG12 H 1.124 0.000 . 1350 127 130 ILE HG13 H 1.389 0.000 . 1351 127 130 ILE HG2 H 0.850 0.000 . 1352 127 130 ILE HD1 H 0.741 0.000 . 1353 127 130 ILE CA C 61.335 0.000 . 1354 127 130 ILE CB C 38.649 0.000 . 1355 127 130 ILE CG1 C 27.474 0.001 . 1356 127 130 ILE CG2 C 17.556 0.000 . 1357 127 130 ILE CD1 C 13.109 0.000 . 1358 127 130 ILE N N 119.881 0.000 . 1359 128 131 SER H H 8.286 0.000 . 1360 128 131 SER HA H 4.413 0.000 . 1361 128 131 SER HB2 H 3.853 0.000 . 1362 128 131 SER HB3 H 3.883 0.000 . 1363 128 131 SER CA C 58.232 0.000 . 1364 128 131 SER CB C 63.527 0.002 . 1365 128 131 SER N N 119.015 0.000 . 1366 129 132 GLN H H 8.400 0.000 . 1367 129 132 GLN HA H 4.227 0.000 . 1368 129 132 GLN HB2 H 1.869 0.000 . 1369 129 132 GLN HB3 H 2.011 0.000 . 1370 129 132 GLN HG2 H 2.218 0.000 . 1371 129 132 GLN HG3 H 2.218 0.000 . 1372 129 132 GLN HE21 H 6.681 0.000 . 1373 129 132 GLN HE22 H 7.357 0.000 . 1374 129 132 GLN CA C 56.234 0.000 . 1375 129 132 GLN CB C 28.984 0.003 . 1376 129 132 GLN CG C 33.618 0.000 . 1377 129 132 GLN N N 122.615 0.000 . 1378 129 132 GLN NE2 N 111.897 0.000 . 1379 130 133 GLY H H 8.234 0.000 . 1380 130 133 GLY HA2 H 2.942 0.000 . 1381 130 133 GLY HA3 H 3.619 0.000 . 1382 130 133 GLY CA C 45.145 0.004 . 1383 130 133 GLY N N 109.313 0.000 . 1384 131 134 ALA H H 8.147 0.000 . 1385 131 134 ALA HA H 4.261 0.000 . 1386 131 134 ALA HB H 1.442 0.000 . 1387 131 134 ALA CA C 53.811 0.000 . 1388 131 134 ALA CB C 18.947 0.000 . 1389 131 134 ALA N N 124.906 0.000 . 1390 132 135 SER H H 8.425 0.000 . 1391 132 135 SER HA H 4.605 0.000 . 1392 132 135 SER HB2 H 4.003 0.000 . 1393 132 135 SER HB3 H 4.159 0.000 . 1394 132 135 SER CA C 58.580 0.000 . 1395 132 135 SER CB C 63.750 0.001 . 1396 132 135 SER N N 113.497 0.000 . 1397 133 136 TRP H H 8.504 0.000 . 1398 133 136 TRP HA H 4.553 0.000 . 1399 133 136 TRP HB2 H 3.220 0.000 . 1400 133 136 TRP HB3 H 3.220 0.000 . 1401 133 136 TRP HD1 H 7.037 0.000 . 1402 133 136 TRP HE1 H 10.041 0.000 . 1403 133 136 TRP HE3 H 7.556 0.000 . 1404 133 136 TRP HZ2 H 7.322 0.000 . 1405 133 136 TRP HZ3 H 7.328 0.000 . 1406 133 136 TRP HH2 H 6.843 0.000 . 1407 133 136 TRP CA C 58.877 0.000 . 1408 133 136 TRP CB C 28.953 0.000 . 1409 133 136 TRP CD1 C 124.400 0.000 . 1410 133 136 TRP CE3 C 121.619 0.000 . 1411 133 136 TRP CZ2 C 113.816 0.000 . 1412 133 136 TRP CZ3 C 121.980 0.000 . 1413 133 136 TRP CH2 C 123.081 0.000 . 1414 133 136 TRP N N 122.897 0.000 . 1415 133 136 TRP NE1 N 127.876 0.000 . 1416 134 137 ALA H H 8.487 0.000 . 1417 134 137 ALA HA H 4.264 0.000 . 1418 134 137 ALA HB H 1.529 0.000 . 1419 134 137 ALA CA C 55.661 0.000 . 1420 134 137 ALA CB C 17.871 0.000 . 1421 134 137 ALA N N 120.702 0.000 . 1422 135 138 GLN H H 7.938 0.000 . 1423 135 138 GLN HA H 4.128 0.000 . 1424 135 138 GLN HB2 H 2.189 0.000 . 1425 135 138 GLN HB3 H 2.189 0.000 . 1426 135 138 GLN HG2 H 2.459 0.000 . 1427 135 138 GLN HG3 H 2.459 0.000 . 1428 135 138 GLN HE21 H 6.931 0.000 . 1429 135 138 GLN HE22 H 7.608 0.000 . 1430 135 138 GLN CA C 58.904 0.000 . 1431 135 138 GLN CB C 28.477 0.000 . 1432 135 138 GLN CG C 34.147 0.000 . 1433 135 138 GLN N N 119.047 0.000 . 1434 135 138 GLN NE2 N 112.227 0.021 . 1435 136 139 GLU H H 7.803 0.000 . 1436 136 139 GLU HA H 3.846 0.000 . 1437 136 139 GLU HB2 H 1.634 0.000 . 1438 136 139 GLU HB3 H 1.634 0.000 . 1439 136 139 GLU HG2 H 2.165 0.000 . 1440 136 139 GLU HG3 H 2.536 0.000 . 1441 136 139 GLU CA C 58.949 0.000 . 1442 136 139 GLU CB C 29.578 0.000 . 1443 136 139 GLU CG C 36.155 0.055 . 1444 136 139 GLU N N 121.097 0.000 . 1445 137 140 ASP H H 8.862 0.000 . 1446 137 140 ASP HA H 4.493 0.000 . 1447 137 140 ASP HB2 H 2.668 0.000 . 1448 137 140 ASP HB3 H 2.956 0.000 . 1449 137 140 ASP CA C 57.106 0.000 . 1450 137 140 ASP CB C 40.011 0.007 . 1451 137 140 ASP N N 118.234 0.000 . 1452 138 141 GLN H H 7.577 0.000 . 1453 138 141 GLN HA H 3.922 0.000 . 1454 138 141 GLN HB2 H 2.208 0.000 . 1455 138 141 GLN HB3 H 2.208 0.000 . 1456 138 141 GLN HG2 H 2.513 0.000 . 1457 138 141 GLN HG3 H 2.438 0.000 . 1458 138 141 GLN HE21 H 7.008 0.000 . 1459 138 141 GLN HE22 H 7.577 0.000 . 1460 138 141 GLN CA C 58.807 0.000 . 1461 138 141 GLN CB C 28.644 0.000 . 1462 138 141 GLN CG C 33.993 0.008 . 1463 138 141 GLN N N 117.013 0.000 . 1464 138 141 GLN NE2 N 113.524 0.000 . 1465 139 142 GLN H H 7.592 0.000 . 1466 139 142 GLN HA H 4.137 0.000 . 1467 139 142 GLN HB2 H 2.197 0.000 . 1468 139 142 GLN HB3 H 2.197 0.000 . 1469 139 142 GLN HG2 H 2.528 0.000 . 1470 139 142 GLN HG3 H 2.489 0.000 . 1471 139 142 GLN HE21 H 7.008 0.000 . 1472 139 142 GLN HE22 H 7.577 0.000 . 1473 139 142 GLN CA C 58.915 0.000 . 1474 139 142 GLN CB C 28.401 0.000 . 1475 139 142 GLN CG C 33.912 0.002 . 1476 139 142 GLN N N 119.587 0.000 . 1477 139 142 GLN NE2 N 113.524 0.000 . 1478 140 143 ASP H H 9.192 0.000 . 1479 140 143 ASP HA H 4.047 0.000 . 1480 140 143 ASP HB2 H 2.164 0.000 . 1481 140 143 ASP HB3 H 2.865 0.000 . 1482 140 143 ASP CA C 57.297 0.000 . 1483 140 143 ASP CB C 40.733 0.001 . 1484 140 143 ASP N N 121.679 0.000 . 1485 141 144 ALA H H 8.791 0.000 . 1486 141 144 ALA HA H 4.290 0.000 . 1487 141 144 ALA HB H 1.427 0.000 . 1488 141 144 ALA CA C 55.296 0.000 . 1489 141 144 ALA CB C 19.421 0.000 . 1490 141 144 ALA N N 121.015 0.000 . 1491 142 145 ASP H H 7.927 0.000 . 1492 142 145 ASP HA H 4.452 0.000 . 1493 142 145 ASP HB2 H 2.911 0.000 . 1494 142 145 ASP HB3 H 2.763 0.000 . 1495 142 145 ASP CA C 57.546 0.000 . 1496 142 145 ASP CB C 41.237 0.003 . 1497 142 145 ASP N N 119.192 0.000 . 1498 143 146 GLU H H 7.917 0.000 . 1499 143 146 GLU HA H 4.065 0.000 . 1500 143 146 GLU HB2 H 2.081 0.000 . 1501 143 146 GLU HB3 H 2.239 0.000 . 1502 143 146 GLU HG2 H 2.542 0.000 . 1503 143 146 GLU HG3 H 2.297 0.000 . 1504 143 146 GLU CA C 59.761 0.000 . 1505 143 146 GLU CB C 29.672 0.047 . 1506 143 146 GLU CG C 36.629 0.003 . 1507 143 146 GLU N N 119.530 0.000 . 1508 144 147 ASP H H 8.930 0.000 . 1509 144 147 ASP HA H 4.687 0.000 . 1510 144 147 ASP HB2 H 2.768 0.000 . 1511 144 147 ASP HB3 H 2.864 0.000 . 1512 144 147 ASP CA C 57.427 0.000 . 1513 144 147 ASP CB C 41.182 0.007 . 1514 144 147 ASP N N 121.170 0.000 . 1515 145 148 ARG H H 8.558 0.000 . 1516 145 148 ARG HA H 4.163 0.000 . 1517 145 148 ARG HB2 H 2.076 0.000 . 1518 145 148 ARG HB3 H 2.076 0.000 . 1519 145 148 ARG HG2 H 1.808 0.000 . 1520 145 148 ARG HG3 H 1.808 0.000 . 1521 145 148 ARG HD2 H 3.232 0.000 . 1522 145 148 ARG HD3 H 3.232 0.000 . 1523 145 148 ARG CA C 59.499 0.000 . 1524 145 148 ARG CB C 29.449 0.000 . 1525 145 148 ARG CG C 26.960 0.000 . 1526 145 148 ARG CD C 43.452 0.000 . 1527 145 148 ARG N N 121.418 0.000 . 1528 146 149 ARG H H 7.717 0.000 . 1529 146 149 ARG HA H 4.126 0.000 . 1530 146 149 ARG HB2 H 1.981 0.000 . 1531 146 149 ARG HB3 H 1.981 0.000 . 1532 146 149 ARG HG2 H 1.897 0.000 . 1533 146 149 ARG HG3 H 1.692 0.000 . 1534 146 149 ARG HD2 H 3.303 0.000 . 1535 146 149 ARG HD3 H 3.303 0.000 . 1536 146 149 ARG CA C 59.301 0.000 . 1537 146 149 ARG CB C 30.163 0.000 . 1538 146 149 ARG CG C 28.508 0.012 . 1539 146 149 ARG CD C 43.460 0.000 . 1540 146 149 ARG N N 119.361 0.000 . 1541 147 150 ALA H H 7.901 0.000 . 1542 147 150 ALA HA H 4.339 0.000 . 1543 147 150 ALA HB H 1.692 0.000 . 1544 147 150 ALA CA C 54.112 0.000 . 1545 147 150 ALA CB C 18.991 0.000 . 1546 147 150 ALA N N 120.418 0.000 . 1547 148 151 PHE H H 8.315 0.000 . 1548 148 151 PHE HA H 4.420 0.000 . 1549 148 151 PHE HB2 H 3.124 0.000 . 1550 148 151 PHE HB3 H 3.391 0.000 . 1551 148 151 PHE HD1 H 7.337 0.000 . 1552 148 151 PHE HD2 H 7.337 0.000 . 1553 148 151 PHE HE1 H 7.146 0.000 . 1554 148 151 PHE HE2 H 7.146 0.000 . 1555 148 151 PHE CA C 60.510 0.000 . 1556 148 151 PHE CB C 39.688 0.001 . 1557 148 151 PHE CD1 C 132.345 0.000 . 1558 148 151 PHE CD2 C 132.345 0.000 . 1559 148 151 PHE CE1 C 131.246 0.000 . 1560 148 151 PHE CE2 C 131.246 0.000 . 1561 148 151 PHE N N 120.166 0.000 . 1562 149 152 GLN H H 8.040 0.000 . 1563 149 152 GLN HA H 4.165 0.000 . 1564 149 152 GLN HB2 H 2.124 0.000 . 1565 149 152 GLN HB3 H 2.124 0.000 . 1566 149 152 GLN HG2 H 2.515 0.000 . 1567 149 152 GLN HG3 H 2.584 0.000 . 1568 149 152 GLN HE21 H 7.614 0.000 . 1569 149 152 GLN HE22 H 6.987 0.000 . 1570 149 152 GLN CA C 56.805 0.000 . 1571 149 152 GLN CB C 28.969 0.000 . 1572 149 152 GLN CG C 34.007 0.002 . 1573 149 152 GLN N N 118.570 0.000 . 1574 149 152 GLN NE2 N 112.079 0.018 . 1575 150 153 MET H H 7.813 0.000 . 1576 150 153 MET HA H 4.385 0.000 . 1577 150 153 MET HB2 H 2.119 0.000 . 1578 150 153 MET HB3 H 2.185 0.000 . 1579 150 153 MET HG2 H 2.648 0.000 . 1580 150 153 MET HG3 H 2.726 0.000 . 1581 150 153 MET HE H 2.126 0.000 . 1582 150 153 MET CA C 56.250 0.000 . 1583 150 153 MET CB C 32.624 0.001 . 1584 150 153 MET CG C 32.182 0.001 . 1585 150 153 MET CE C 16.969 0.000 . 1586 150 153 MET N N 118.143 0.000 . 1587 151 154 LEU H H 7.747 0.000 . 1588 151 154 LEU HA H 4.297 0.000 . 1589 151 154 LEU HB2 H 1.528 0.000 . 1590 151 154 LEU HB3 H 1.639 0.000 . 1591 151 154 LEU HG H 1.712 0.000 . 1592 151 154 LEU HD1 H 0.898 0.000 . 1593 151 154 LEU HD2 H 0.932 0.000 . 1594 151 154 LEU CA C 55.214 0.000 . 1595 151 154 LEU CB C 42.227 0.004 . 1596 151 154 LEU CG C 26.810 0.000 . 1597 151 154 LEU CD1 C 23.396 0.000 . 1598 151 154 LEU CD2 C 25.264 0.000 . 1599 151 154 LEU N N 121.212 0.000 . 1600 152 155 ARG H H 8.191 0.000 . 1601 152 155 ARG HA H 4.259 0.000 . 1602 152 155 ARG HB2 H 1.769 0.000 . 1603 152 155 ARG HB3 H 1.828 0.000 . 1604 152 155 ARG HG2 H 1.596 0.000 . 1605 152 155 ARG HG3 H 1.636 0.000 . 1606 152 155 ARG HD2 H 3.196 0.000 . 1607 152 155 ARG HD3 H 3.196 0.000 . 1608 152 155 ARG CA C 56.131 0.000 . 1609 152 155 ARG CB C 30.781 0.008 . 1610 152 155 ARG CG C 26.962 0.007 . 1611 152 155 ARG CD C 43.273 0.000 . 1612 152 155 ARG N N 121.969 0.000 . 1613 153 156 ARG H H 8.464 0.000 . 1614 153 156 ARG HA H 4.384 0.000 . 1615 153 156 ARG HB2 H 1.746 0.000 . 1616 153 156 ARG HB3 H 1.913 0.000 . 1617 153 156 ARG HG2 H 1.644 0.000 . 1618 153 156 ARG HG3 H 1.644 0.000 . 1619 153 156 ARG HD2 H 3.200 0.000 . 1620 153 156 ARG HD3 H 3.200 0.000 . 1621 153 156 ARG CA C 55.730 0.000 . 1622 153 156 ARG CB C 30.966 0.000 . 1623 153 156 ARG CG C 26.932 0.000 . 1624 153 156 ARG CD C 43.298 0.000 . 1625 153 156 ARG N N 123.293 0.000 . 1626 154 157 ASP H H 8.055 0.000 . 1627 154 157 ASP HA H 4.387 0.000 . 1628 154 157 ASP HB2 H 2.594 0.000 . 1629 154 157 ASP HB3 H 2.670 0.000 . 1630 154 157 ASP CA C 55.719 0.000 . 1631 154 157 ASP CB C 42.202 0.001 . 1632 154 157 ASP N N 126.991 0.000 . stop_ save_ save_spectral_peak_list_1 _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 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_1 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_1 >> _Spectral_peak_list.Entry_ID 34526 >> _Spectral_peak_list.ID 1 >> _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 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 3.351 6.958 29.516 1 T 1.256e+06 0.00e+00 a 0 - - - >> 2 3.438 6.961 29.643 1 T 8.679e+05 0.00e+00 a 0 - - - >> 3 4.454 3.939 65.177 1 T 3.452e+06 0.00e+00 a 0 - - - >> 4 4.453 2.956 65.124 1 T 3.054e+06 0.00e+00 a 0 - - - >> 5 4.453 2.851 65.125 1 T 2.633e+06 0.00e+00 a 0 - - - >> 6 4.454 2.370 65.134 1 T 9.622e+06 0.00e+00 a 0 - - - >> 7 4.455 2.027 65.156 1 T 8.965e+06 0.00e+00 a 0 - - - >> 8 4.452 0.972 65.236 1 T 1.353e+06 0.00e+00 a 0 - - - >> 9 1.993 2.362 31.919 1 T 1.406e+07 0.00e+00 a 0 - - - >> 11 2.000 4.463 32.074 1 T 9.072e+06 0.00e+00 a 0 - - - >> 12 2.371 2.006 31.877 1 T 1.802e+07 0.00e+00 a 0 - - - >> 13 2.363 1.095 31.541 1 T 1.063e+07 0.00e+00 a 0 - - - >> 14 2.371 0.953 31.762 1 T 7.456e+06 0.00e+00 a 0 - - - >> 15 2.372 4.455 31.862 1 T 7.485e+06 0.00e+00 a 0 - - - >> 16 2.370 3.955 31.823 1 T 3.753e+06 0.00e+00 a 0 - - - >> 17 2.370 8.521 31.733 1 T 1.918e+06 0.00e+00 a 0 - - - >> 18 3.859 2.031 50.722 1 T 9.440e+06 0.00e+00 a 0 - - - >> 19 3.949 4.867 50.613 1 T 8.074e+06 0.00e+00 a 0 - - - >> 20 3.945 4.464 50.636 1 T 2.769e+06 0.00e+00 a 0 - - - >> 21 3.948 2.373 50.546 1 T 2.221e+06 0.00e+00 a 0 - - - >> 22 3.957 1.823 50.387 1 T 1.767e+06 0.00e+00 a 0 - - - >> 25 2.076 3.915 27.686 1 T 1.160e+07 0.00e+00 a 0 - - - >> 26 2.077 4.464 27.708 1 T 6.435e+06 0.00e+00 a 0 - - - >> 27 3.919 1.752 46.317 1 T 1.597e+06 0.00e+00 a 0 - - - >> 28 3.945 0.974 46.106 1 T 1.148e+06 0.00e+00 a 0 - - - >> 29 3.985 2.275 46.156 1 T 7.658e+05 0.00e+00 a 0 - - - >> 30 4.005 1.764 46.285 1 T 1.543e+06 0.00e+00 a 0 - - - >> 31 4.009 0.991 46.306 1 T 1.001e+06 0.00e+00 a 0 - - - >> 32 4.082 2.235 58.189 1 T 1.699e+07 0.00e+00 a 0 - - - >> 33 4.073 2.091 58.418 1 T 2.268e+07 0.00e+00 a 0 - - - >> 34 4.080 1.881 58.307 1 T 1.053e+07 0.00e+00 a 0 - - - >> 35 4.138 1.577 58.138 1 T 7.082e+06 0.00e+00 a 0 - - - >> 36 4.095 1.244 58.192 1 T 4.024e+06 0.00e+00 a 0 - - - >> 37 4.096 0.529 58.336 1 T 2.995e+06 0.00e+00 a 0 - - - >> 38 4.094 9.063 58.469 1 T 1.533e+06 0.00e+00 a 0 - - - >> 39 2.073 2.967 29.492 1 T 2.912e+06 0.00e+00 a 0 - - - >> 40 4.573 3.267 55.479 1 T 4.227e+06 0.00e+00 a 0 - - - >> 41 4.568 2.757 55.436 1 T 1.573e+07 0.00e+00 a 0 - - - >> 42 4.568 4.288 55.476 1 T 2.571e+06 0.00e+00 a 0 - - - >> 43 4.574 6.928 55.529 1 T 1.009e+06 0.00e+00 a 0 - - - >> 44 2.845 2.049 37.930 1 T 2.209e+06 0.00e+00 a 0 - - - >> 45 2.849 2.400 37.931 1 T 9.453e+05 0.00e+00 a 0 - - - >> 46 2.847 1.727 37.972 1 T 1.076e+06 0.00e+00 a 0 - - - >> 47 2.846 2.943 37.926 1 T 1.813e+07 0.00e+00 a 0 - - - >> 48 2.847 4.580 37.890 1 T 5.478e+06 0.00e+00 a 0 - - - >> 49 2.959 2.860 37.948 1 T 1.762e+07 0.00e+00 a 0 - - - >> 50 2.967 1.745 37.934 1 T 1.097e+06 0.00e+00 a 0 - - - >> 51 2.953 1.029 37.976 1 T 1.503e+06 0.00e+00 a 0 - - - >> 52 2.957 4.574 37.913 1 T 5.524e+06 0.00e+00 a 0 - - - >> 53 4.099 3.447 58.315 1 T 1.344e+06 0.00e+00 a 0 - - - >> 54 4.097 -0.238 58.345 1 T 1.115e+06 0.00e+00 a 0 - - - >> 55 1.733 2.064 41.758 1 T 2.906e+06 0.00e+00 a 0 - - - >> 56 1.745 2.333 41.728 1 T 1.070e+06 0.00e+00 a 0 - - - >> 57 0.965 2.063 25.413 1 T 1.352e+07 0.00e+00 a 0 - - - >> 58 0.966 1.760 25.403 1 T 3.056e+07 0.00e+00 a 0 - - - >> 59 0.965 2.309 25.410 1 T 6.778e+06 0.00e+00 a 0 - - - >> 60 0.967 2.806 25.414 1 T 1.422e+06 0.00e+00 a 0 - - - >> 61 0.966 3.961 25.404 1 T 4.592e+06 0.00e+00 a 0 - - - >> 62 0.965 4.104 25.390 1 T 1.299e+07 0.00e+00 a 0 - - - >> 63 1.026 1.551 24.877 1 T 5.959e+06 0.00e+00 a 0 - - - >> 64 1.027 1.755 24.877 1 T 2.208e+07 0.00e+00 a 0 - - - >> 65 1.027 2.059 24.867 1 T 1.287e+07 0.00e+00 a 0 - - - >> 66 1.026 2.219 24.876 1 T 6.034e+06 0.00e+00 a 0 - - - >> 67 1.030 2.783 24.828 1 T 1.027e+06 0.00e+00 a 0 - - - >> 69 1.032 2.933 24.948 1 T 9.801e+05 0.00e+00 a 0 - - - >> 70 1.028 3.588 24.940 1 T 1.070e+06 0.00e+00 a 0 - - - >> 71 1.026 3.415 24.849 1 T 7.452e+05 0.00e+00 a 0 - - - >> 72 1.027 3.272 24.900 1 T 7.039e+05 0.00e+00 a 0 - - - >> 73 1.027 4.104 24.873 1 T 1.152e+07 0.00e+00 a 0 - - - >> 75 1.028 4.480 25.048 1 T 9.667e+05 0.00e+00 a 0 - - - >> 76 1.026 7.240 24.781 1 T 7.814e+05 0.00e+00 a 0 - - - >> 77 1.026 8.146 24.702 1 T 6.707e+05 0.00e+00 a 0 - - - >> 78 3.986 1.891 59.512 1 T 1.638e+07 0.00e+00 a 0 - - - >> 80 3.984 0.926 59.543 1 T 6.521e+06 0.00e+00 a 0 - - - >> 81 3.961 0.784 59.637 1 T 7.597e+06 0.00e+00 a 0 - - - >> 83 3.981 2.942 59.636 1 T 3.256e+06 0.00e+00 a 0 - - - >> 84 3.984 4.464 59.627 1 T 1.417e+06 0.00e+00 a 0 - - - >> 86 3.979 8.649 59.786 1 T 2.427e+06 0.00e+00 a 0 - - - >> 87 1.810 0.700 31.630 1 T 1.657e+06 0.00e+00 a 0 - - - >> 88 1.892 4.003 32.055 1 T 9.534e+06 0.00e+00 a 0 - - - >> 91 1.667 2.961 29.148 1 T 3.671e+07 0.00e+00 a 0 - - - >> 92 1.663 3.689 29.145 1 T 5.893e+06 0.00e+00 a 0 - - - >> 93 1.671 4.013 29.122 1 T 6.527e+06 0.00e+00 a 0 - - - >> 94 1.665 7.857 29.122 1 T 1.250e+06 0.00e+00 a 0 - - - >> 95 2.946 1.699 41.741 1 T 7.788e+07 0.00e+00 a 0 - - - >> 96 2.938 0.289 41.735 1 T 1.768e+06 0.00e+00 a 0 - - - >> 97 2.941 0.411 41.741 1 T 1.976e+06 0.00e+00 a 0 - - - >> 98 2.952 0.890 41.780 1 T 5.671e+06 0.00e+00 a 0 - - - >> 99 2.941 4.222 41.673 1 T 4.476e+06 0.00e+00 a 0 - - - >> 100 2.945 4.483 41.710 1 T 5.546e+06 0.00e+00 a 0 - - - >> 101 2.932 6.927 41.629 1 T 1.305e+06 0.00e+00 a 0 - - - >> 102 2.935 6.728 41.764 1 T 7.711e+05 0.00e+00 a 0 - - - >> 103 1.420 0.891 24.951 1 T 4.405e+06 0.00e+00 a 0 - - - >> 104 1.416 1.675 24.945 1 T 4.963e+07 0.00e+00 a 0 - - - >> 105 1.416 2.190 24.857 1 T 4.000e+06 0.00e+00 a 0 - - - >> 106 1.412 1.893 24.806 1 T 2.317e+07 0.00e+00 a 0 - - - >> 107 1.424 2.501 24.796 1 T 1.517e+06 0.00e+00 a 0 - - - >> 108 1.418 4.306 24.862 1 T 4.315e+06 0.00e+00 a 0 - - - >> 109 1.402 3.976 24.952 1 T 5.355e+06 0.00e+00 a 0 - - - >> 110 1.392 3.688 24.897 1 T 4.267e+06 0.00e+00 a 0 - - - >> 111 1.414 2.963 24.947 1 T 1.049e+07 0.00e+00 a 0 - - - >> 112 1.419 3.291 25.017 1 T 1.026e+06 0.00e+00 a 0 - - - >> 113 1.504 1.911 24.896 1 T 1.840e+07 0.00e+00 a 0 - - - >> 114 1.507 2.968 24.863 1 T 1.118e+07 0.00e+00 a 0 - - - >> 115 1.506 3.688 24.855 1 T 3.945e+06 0.00e+00 a 0 - - - >> 116 1.506 4.013 24.862 1 T 7.294e+06 0.00e+00 a 0 - - - >> 117 4.429 3.267 58.977 1 T 6.763e+06 0.00e+00 a 0 - - - >> 119 4.431 1.247 58.965 1 T 2.158e+06 0.00e+00 a 0 - - - >> 120 4.423 4.239 58.778 1 T 6.462e+06 0.00e+00 a 0 - - - >> 121 4.425 6.929 59.046 1 T 1.160e+06 0.00e+00 a 0 - - - >> 122 3.287 4.426 30.683 1 T 2.859e+06 0.00e+00 a 0 - - - >> 123 3.292 4.568 30.698 1 T 1.792e+06 0.00e+00 a 0 - - - >> 124 3.292 4.238 30.704 1 T 1.054e+06 0.00e+00 a 0 - - - >> 125 3.283 4.007 30.607 1 T 6.741e+05 0.00e+00 a 0 - - - >> 126 3.290 2.897 30.710 1 T 1.175e+06 0.00e+00 a 0 - - - >> 127 3.282 2.090 30.669 1 T 7.261e+05 0.00e+00 a 0 - - - >> 128 3.251 4.560 30.671 1 T 1.768e+06 0.00e+00 a 0 - - - >> 129 3.253 4.434 30.675 1 T 2.840e+06 0.00e+00 a 0 - - - >> 130 3.242 2.902 30.638 1 T 1.527e+06 0.00e+00 a 0 - - - >> 133 3.425 4.090 66.004 1 T 7.473e+05 0.00e+00 a 0 - - - >> 134 3.422 2.043 66.020 1 T 1.901e+06 0.00e+00 a 0 - - - >> 135 3.437 1.450 66.079 1 T 8.119e+05 0.00e+00 a 0 - - - >> 136 3.429 1.641 66.026 1 T 2.029e+06 0.00e+00 a 0 - - - >> 137 3.424 1.063 66.014 1 T 2.810e+06 0.00e+00 a 0 - - - >> 138 3.423 0.861 66.015 1 T 4.491e+06 0.00e+00 a 0 - - - >> 139 3.429 0.383 66.008 1 T 9.254e+05 0.00e+00 a 0 - - - >> 140 2.120 1.060 38.255 1 T 4.949e+06 0.00e+00 a 0 - - - >> 141 2.106 3.438 38.297 1 T 9.885e+05 0.00e+00 a 0 - - - >> 142 2.114 4.096 38.287 1 T 1.948e+06 0.00e+00 a 0 - - - >> 143 1.067 0.385 14.546 1 T 2.103e+06 0.00e+00 a 0 - - - >> 144 1.067 0.896 14.557 1 T 1.540e+07 0.00e+00 a 0 - - - >> 145 1.068 1.224 14.550 1 T 4.344e+06 0.00e+00 a 0 - - - >> 146 1.066 1.422 14.584 1 T 2.673e+06 0.00e+00 a 0 - - - >> 147 1.066 1.726 14.573 1 T 4.662e+06 0.00e+00 a 0 - - - >> 148 1.067 2.051 14.573 1 T 1.423e+07 0.00e+00 a 0 - - - >> 149 1.067 2.402 14.546 1 T 3.905e+06 0.00e+00 a 0 - - - >> 150 1.070 2.864 14.547 1 T 2.511e+06 0.00e+00 a 0 - - - >> 151 1.068 3.290 14.564 1 T 1.499e+06 0.00e+00 a 0 - - - >> 152 0.965 3.203 14.579 1 T 1.066e+06 0.00e+00 a 0 - - - >> 153 1.067 3.432 14.549 1 T 3.780e+06 0.00e+00 a 0 - - - >> 154 1.067 3.601 14.590 1 T 2.314e+06 0.00e+00 a 0 - - - >> 155 1.065 3.866 14.624 1 T 8.952e+05 0.00e+00 a 0 - - - >> 156 1.068 4.108 14.569 1 T 5.394e+06 0.00e+00 a 0 - - - >> 157 1.068 4.575 14.576 1 T 1.492e+06 0.00e+00 a 0 - - - >> 158 1.067 7.232 14.552 1 T 3.458e+06 0.00e+00 a 0 - - - >> 159 1.067 8.840 14.581 1 T 1.166e+06 0.00e+00 a 0 - - - >> 160 0.763 1.066 30.765 1 T 2.315e+06 0.00e+00 a 0 - - - >> 161 0.760 1.670 30.811 1 T 8.626e+05 0.00e+00 a 0 - - - >> 163 0.766 2.045 30.723 1 T 1.757e+06 0.00e+00 a 0 - - - >> 164 0.755 3.411 30.708 1 T 8.715e+05 0.00e+00 a 0 - - - >> 165 0.882 0.387 18.299 1 T 7.589e+06 0.00e+00 a 0 - - - >> 166 0.882 0.565 18.291 1 T 2.832e+06 0.00e+00 a 0 - - - >> 167 0.882 1.060 18.274 1 T 2.320e+07 0.00e+00 a 0 - - - >> 168 0.882 2.092 18.269 1 T 9.089e+06 0.00e+00 a 0 - - - >> 169 0.888 2.918 18.243 1 T 9.125e+05 0.00e+00 a 0 - - - >> 170 0.882 3.429 18.307 1 T 4.422e+06 0.00e+00 a 0 - - - >> 171 0.883 3.598 18.194 1 T 3.138e+06 0.00e+00 a 0 - - - >> 172 0.881 4.105 18.201 1 T 3.131e+06 0.00e+00 a 0 - - - >> 173 0.881 7.230 18.306 1 T 6.299e+06 0.00e+00 a 0 - - - >> 174 0.883 8.167 18.210 1 T 1.260e+06 0.00e+00 a 0 - - - >> 175 3.574 3.968 65.905 1 T 1.044e+06 0.00e+00 a 0 - - - >> 176 3.583 1.821 65.909 1 T 2.636e+06 0.00e+00 a 0 - - - >> 177 3.579 0.934 65.895 1 T 7.150e+06 0.00e+00 a 0 - - - >> 178 3.575 0.771 65.894 1 T 2.926e+06 0.00e+00 a 0 - - - >> 179 1.865 3.578 38.530 1 T 1.420e+06 0.00e+00 a 0 - - - >> 180 1.866 3.982 38.543 1 T 2.202e+06 0.00e+00 a 0 - - - >> 181 1.870 8.115 38.528 1 T 6.648e+05 0.00e+00 a 0 - - - >> 182 0.766 0.924 14.318 1 T 2.566e+07 0.00e+00 a 0 - - - >> 183 0.767 1.555 14.323 1 T 3.381e+06 0.00e+00 a 0 - - - >> 184 0.766 1.822 14.329 1 T 1.267e+07 0.00e+00 a 0 - - - >> 185 0.766 2.123 14.333 1 T 8.277e+06 0.00e+00 a 0 - - - >> 186 0.766 2.353 14.334 1 T 5.715e+06 0.00e+00 a 0 - - - >> 187 0.767 3.581 14.326 1 T 3.769e+06 0.00e+00 a 0 - - - >> 188 0.766 3.964 14.346 1 T 8.363e+06 0.00e+00 a 0 - - - >> 189 0.772 8.148 14.287 1 T 1.502e+06 0.00e+00 a 0 - - - >> 190 0.966 1.811 30.138 1 T 1.912e+06 0.00e+00 a 0 - - - >> 192 0.962 2.164 30.066 1 T 8.237e+05 0.00e+00 a 0 - - - >> 193 1.793 0.904 30.117 1 T 6.111e+06 0.00e+00 a 0 - - - >> 194 1.757 3.592 30.045 1 T 3.056e+06 0.00e+00 a 0 - - - >> 195 0.906 1.856 17.456 1 T 1.338e+07 0.00e+00 a 0 - - - >> 196 0.906 2.130 17.541 1 T 8.324e+06 0.00e+00 a 0 - - - >> 197 0.907 2.382 17.438 1 T 5.895e+06 0.00e+00 a 0 - - - >> 198 0.907 2.663 17.419 1 T 2.598e+06 0.00e+00 a 0 - - - >> 199 0.906 3.579 17.455 1 T 6.528e+06 0.00e+00 a 0 - - - >> 200 0.906 3.954 17.446 1 T 5.940e+06 0.00e+00 a 0 - - - >> 201 0.850 4.162 17.521 1 T 1.098e+07 0.00e+00 a 0 - - - >> 202 0.906 8.142 17.552 1 T 1.680e+06 0.00e+00 a 0 - - - >> 203 0.904 8.640 17.545 1 T 9.552e+05 0.00e+00 a 0 - - - >> 204 3.897 2.417 66.675 1 T 2.967e+06 0.00e+00 a 0 - - - >> 205 3.895 4.230 66.626 1 T 3.969e+06 0.00e+00 a 0 - - - >> 206 3.893 1.245 66.712 1 T 8.321e+06 0.00e+00 a 0 - - - >> 207 3.890 0.930 66.604 1 T 2.996e+06 0.00e+00 a 0 - - - >> 208 3.906 8.579 66.531 1 T 8.030e+05 0.00e+00 a 0 - - - >> 209 4.213 4.016 69.129 1 T 1.077e+07 0.00e+00 a 0 - - - >> 210 4.215 1.994 69.028 1 T 8.766e+05 0.00e+00 a 0 - - - >> 211 4.219 1.254 69.008 1 T 2.344e+07 0.00e+00 a 0 - - - >> 212 1.237 2.058 21.960 1 T 9.281e+06 0.00e+00 a 0 - - - >> 213 1.239 2.896 21.828 1 T 2.180e+06 0.00e+00 a 0 - - - >> 214 1.239 3.091 21.889 1 T 2.000e+06 0.00e+00 a 0 - - - >> 215 1.239 3.866 21.820 1 T 1.880e+07 0.00e+00 a 0 - - - >> 216 4.090 0.863 57.783 1 T 2.130e+07 0.00e+00 a 0 - - - >> 217 4.089 8.597 57.767 1 T 1.032e+06 0.00e+00 a 0 - - - >> 218 1.637 0.389 41.911 1 T 2.031e+06 0.00e+00 a 0 - - - >> 219 1.650 1.066 41.879 1 T 3.210e+06 0.00e+00 a 0 - - - >> 220 1.648 0.887 41.959 1 T 2.217e+07 0.00e+00 a 0 - - - >> 222 1.624 8.629 41.970 1 T 1.348e+06 0.00e+00 a 0 - - - >> 223 0.813 -0.077 25.902 1 T 8.501e+06 0.00e+00 a 0 - - - >> 224 0.811 2.514 26.380 1 T 4.301e+06 0.00e+00 a 0 - - - >> 225 0.812 8.651 26.416 1 T 2.984e+06 0.00e+00 a 0 - - - >> 226 0.812 8.180 26.395 1 T 1.447e+06 0.00e+00 a 0 - - - >> 228 0.872 1.677 24.148 1 T 5.238e+07 0.00e+00 a 0 - - - >> 229 0.879 2.786 24.294 1 T 4.435e+06 0.00e+00 a 0 - - - >> 230 0.872 2.974 24.127 1 T 3.126e+06 0.00e+00 a 0 - - - >> 231 1.460 0.836 27.346 1 T 8.383e+06 0.00e+00 a 0 - - - >> 232 1.456 0.543 27.212 1 T 9.226e+05 0.00e+00 a 0 - - - >> 233 1.474 1.629 27.299 1 T 7.892e+06 0.00e+00 a 0 - - - >> 234 1.484 4.090 27.260 1 T 1.202e+06 0.00e+00 a 0 - - - >> 235 3.538 0.936 47.471 1 T 1.988e+06 0.00e+00 a 0 - - - >> 236 3.611 0.942 47.406 1 T 1.850e+06 0.00e+00 a 0 - - - >> 238 4.018 3.207 59.306 1 T 3.531e+06 0.00e+00 a 0 - - - >> 239 4.008 2.664 59.284 1 T 3.610e+06 0.00e+00 a 0 - - - >> 240 4.034 1.498 59.346 1 T 7.064e+06 0.00e+00 a 0 - - - >> 241 4.007 0.412 59.363 1 T 1.615e+06 0.00e+00 a 0 - - - >> 242 4.007 0.293 59.289 1 T 1.144e+06 0.00e+00 a 0 - - - >> 243 4.032 1.682 59.202 1 T 1.280e+07 0.00e+00 a 0 - - - >> 244 2.027 1.048 27.414 1 T 4.749e+06 0.00e+00 a 0 - - - >> 245 2.020 0.916 27.409 1 T 7.052e+06 0.00e+00 a 0 - - - >> 246 2.015 2.243 27.534 1 T 1.250e+07 0.00e+00 a 0 - - - >> 247 2.038 2.659 27.620 1 T 2.043e+06 0.00e+00 a 0 - - - >> 248 2.078 4.335 27.557 1 T 3.043e+06 0.00e+00 a 0 - - - >> 249 2.010 3.847 27.435 1 T 9.617e+06 0.00e+00 a 0 - - - >> 250 2.035 4.710 27.528 1 T 1.833e+06 0.00e+00 a 0 - - - >> 251 2.069 4.705 27.600 1 T 1.584e+06 0.00e+00 a 0 - - - >> 252 2.429 2.033 27.638 1 T 3.425e+06 0.00e+00 a 0 - - - >> 253 2.428 2.663 27.514 1 T 1.826e+06 0.00e+00 a 0 - - - >> 254 2.436 4.014 27.497 1 T 1.483e+06 0.00e+00 a 0 - - - >> 255 2.411 4.009 27.557 1 T 1.528e+06 0.00e+00 a 0 - - - >> 256 2.430 3.898 27.574 1 T 1.639e+06 0.00e+00 a 0 - - - >> 257 2.417 0.939 27.645 1 T 1.144e+06 0.00e+00 a 0 - - - >> 258 2.337 0.408 33.809 1 T 1.054e+06 0.00e+00 a 0 - - - >> 259 2.333 2.664 33.754 1 T 7.347e+06 0.00e+00 a 0 - - - >> 260 2.665 2.346 33.765 1 T 8.583e+06 0.00e+00 a 0 - - - >> 261 2.666 2.051 33.749 1 T 3.022e+06 0.00e+00 a 0 - - - >> 262 2.667 1.092 33.700 1 T 1.171e+06 0.00e+00 a 0 - - - >> 263 2.668 0.941 33.725 1 T 3.312e+06 0.00e+00 a 0 - - - >> 264 2.655 0.416 33.795 1 T 8.106e+05 0.00e+00 a 0 - - - >> 265 2.665 4.010 33.753 1 T 2.529e+06 0.00e+00 a 0 - - - >> 266 3.697 2.375 66.655 1 T 2.167e+06 0.00e+00 a 0 - - - >> 267 3.697 1.662 66.671 1 T 1.395e+06 0.00e+00 a 0 - - - >> 268 3.697 0.953 66.604 1 T 5.055e+06 0.00e+00 a 0 - - - >> 269 3.698 1.092 66.613 1 T 7.028e+06 0.00e+00 a 0 - - - >> 270 3.755 1.941 66.412 1 T 6.797e+05 0.00e+00 a 0 - - - >> 271 3.698 1.937 66.621 1 T 4.101e+06 0.00e+00 a 0 - - - >> 272 3.694 8.509 66.611 1 T 1.548e+06 0.00e+00 a 0 - - - >> 273 2.367 1.661 31.712 1 T 2.213e+06 0.00e+00 a 0 - - - >> 274 2.376 3.700 31.720 1 T 2.209e+06 0.00e+00 a 0 - - - >> 275 2.369 4.866 31.904 1 T 8.481e+05 0.00e+00 a 0 - - - >> 276 0.957 1.703 20.773 1 T 4.975e+06 0.00e+00 a 0 - - - >> 277 0.956 1.938 20.779 1 T 7.044e+06 0.00e+00 a 0 - - - >> 278 0.956 2.373 20.741 1 T 1.180e+07 0.00e+00 a 0 - - - >> 279 0.956 3.087 20.744 1 T 3.731e+06 0.00e+00 a 0 - - - >> 280 0.956 3.242 20.719 1 T 4.337e+06 0.00e+00 a 0 - - - >> 281 0.956 3.512 20.781 1 T 2.503e+06 0.00e+00 a 0 - - - >> 282 0.956 3.698 20.735 1 T 8.184e+06 0.00e+00 a 0 - - - >> 283 0.956 4.085 20.817 1 T 5.010e+06 0.00e+00 a 0 - - - >> 284 0.955 8.529 20.729 1 T 3.721e+06 0.00e+00 a 0 - - - >> 285 1.092 0.952 22.899 1 T 4.002e+07 0.00e+00 a 0 - - - >> 286 1.093 2.370 22.945 1 T 1.637e+07 0.00e+00 a 0 - - - >> 288 1.092 3.698 23.087 1 T 1.397e+07 0.00e+00 a 0 - - - >> 289 1.092 8.504 23.102 1 T 5.470e+06 0.00e+00 a 0 - - - >> 290 3.509 0.865 65.822 1 T 4.410e+06 0.00e+00 a 0 - - - >> 291 3.503 1.762 65.815 1 T 1.725e+06 0.00e+00 a 0 - - - >> 292 3.512 1.999 65.754 1 T 1.934e+06 0.00e+00 a 0 - - - >> 293 3.505 1.899 65.760 1 T 1.763e+06 0.00e+00 a 0 - - - >> 294 3.501 2.371 65.721 1 T 6.670e+05 0.00e+00 a 0 - - - >> 295 3.509 8.532 65.796 1 T 1.459e+06 0.00e+00 a 0 - - - >> 296 2.025 3.554 38.032 1 T 1.435e+06 0.00e+00 a 0 - - - >> 297 2.020 8.538 38.087 1 T 1.424e+06 0.00e+00 a 0 - - - >> 298 0.848 0.389 15.999 1 T 3.247e+06 0.00e+00 a 0 - - - >> 299 0.847 0.557 15.987 1 T 7.124e+06 0.00e+00 a 0 - - - >> 300 0.848 1.456 15.979 1 T 7.412e+06 0.00e+00 a 0 - - - >> 301 0.848 1.783 15.967 1 T 5.433e+06 0.00e+00 a 0 - - - >> 302 0.847 2.019 16.003 1 T 6.388e+06 0.00e+00 a 0 - - - >> 303 0.846 2.193 16.026 1 T 2.093e+06 0.00e+00 a 0 - - - >> 304 0.848 2.554 16.002 1 T 2.626e+06 0.00e+00 a 0 - - - >> 305 0.849 2.948 15.996 1 T 2.363e+06 0.00e+00 a 0 - - - >> 306 0.847 3.515 16.018 1 T 4.257e+06 0.00e+00 a 0 - - - >> 307 0.847 3.905 16.005 1 T 2.998e+06 0.00e+00 a 0 - - - >> 308 0.844 4.083 16.014 1 T 1.505e+06 0.00e+00 a 0 - - - >> 309 0.845 4.244 15.969 1 T 9.579e+05 0.00e+00 a 0 - - - >> 310 0.844 4.497 16.198 1 T 1.918e+06 0.00e+00 a 0 - - - >> 311 0.847 8.180 15.933 1 T 1.025e+06 0.00e+00 a 0 - - - >> 312 0.848 8.538 16.005 1 T 3.966e+06 0.00e+00 a 0 - - - >> 313 0.890 1.778 30.136 1 T 1.198e+06 0.00e+00 a 0 - - - >> 314 0.900 2.024 30.028 1 T 8.302e+05 0.00e+00 a 0 - - - >> 315 0.897 3.539 30.148 1 T 8.559e+05 0.00e+00 a 0 - - - >> 316 1.786 8.545 30.135 1 T 8.372e+05 0.00e+00 a 0 - - - >> 317 0.722 1.454 16.911 1 T 3.167e+06 0.00e+00 a 0 - - - >> 318 0.722 1.784 16.912 1 T 3.744e+06 0.00e+00 a 0 - - - >> 319 0.722 2.018 16.892 1 T 6.254e+06 0.00e+00 a 0 - - - >> 320 0.723 2.201 16.909 1 T 2.109e+06 0.00e+00 a 0 - - - >> 321 0.725 2.578 16.932 1 T 1.639e+06 0.00e+00 a 0 - - - >> 322 0.721 2.954 17.023 1 T 1.089e+06 0.00e+00 a 0 - - - >> 323 0.723 3.196 16.868 1 T 1.137e+06 0.00e+00 a 0 - - - >> 324 0.722 3.504 16.914 1 T 5.395e+06 0.00e+00 a 0 - - - >> 325 0.722 4.105 16.905 1 T 1.552e+06 0.00e+00 a 0 - - - >> 326 0.723 3.928 16.904 1 T 2.280e+06 0.00e+00 a 0 - - - >> 327 0.723 4.488 16.830 1 T 1.045e+06 0.00e+00 a 0 - - - >> 328 0.728 4.280 16.888 1 T 5.283e+05 0.00e+00 a 0 - - - >> 329 0.724 7.099 16.957 1 T 5.175e+05 0.00e+00 a 0 - - - >> 330 0.723 7.989 16.851 1 T 8.658e+05 0.00e+00 a 0 - - - >> 331 0.722 8.544 16.902 1 T 4.000e+06 0.00e+00 a 0 - - - >> 332 3.938 0.749 61.235 1 T 1.210e+06 0.00e+00 a 0 - - - >> 333 3.947 2.610 61.335 1 T 9.149e+05 0.00e+00 a 0 - - - >> 334 3.938 3.169 61.302 1 T 3.685e+06 0.00e+00 a 0 - - - >> 335 3.944 3.448 61.319 1 T 1.554e+06 0.00e+00 a 0 - - - >> 336 3.940 7.984 61.318 1 T 9.201e+05 0.00e+00 a 0 - - - >> 337 3.942 8.575 61.362 1 T 5.929e+05 0.00e+00 a 0 - - - >> 338 3.168 2.303 29.906 1 T 6.777e+05 0.00e+00 a 0 - - - >> 339 3.175 1.958 29.873 1 T 9.591e+05 0.00e+00 a 0 - - - >> 340 3.184 1.544 29.970 1 T 1.270e+06 0.00e+00 a 0 - - - >> 341 3.171 1.405 29.828 1 T 7.852e+05 0.00e+00 a 0 - - - >> 342 3.176 0.428 29.843 1 T 1.329e+06 0.00e+00 a 0 - - - >> 343 3.176 0.282 29.962 1 T 8.387e+05 0.00e+00 a 0 - - - >> 344 3.180 2.643 29.957 1 T 7.584e+05 0.00e+00 a 0 - - - >> 345 3.179 6.831 29.834 1 T 6.472e+05 0.00e+00 a 0 - - - >> 346 3.166 7.975 29.832 1 T 7.511e+05 0.00e+00 a 0 - - - >> 347 3.687 1.947 59.538 1 T 1.226e+07 0.00e+00 a 0 - - - >> 348 3.689 1.494 59.568 1 T 3.020e+06 0.00e+00 a 0 - - - >> 349 3.688 7.866 59.420 1 T 1.000e+06 0.00e+00 a 0 - - - >> 350 3.688 8.400 59.531 1 T 8.136e+05 0.00e+00 a 0 - - - >> 351 1.951 1.685 32.216 1 T 1.603e+07 0.00e+00 a 0 - - - >> 352 1.940 1.419 32.252 1 T 9.967e+06 0.00e+00 a 0 - - - >> 353 1.900 0.910 32.286 1 T 3.098e+06 0.00e+00 a 0 - - - >> 354 1.966 2.968 32.251 1 T 4.158e+06 0.00e+00 a 0 - - - >> 355 1.945 3.694 32.215 1 T 1.291e+07 0.00e+00 a 0 - - - >> 356 1.957 4.490 31.893 1 T 9.222e+06 0.00e+00 a 0 - - - >> 357 1.954 4.804 32.099 1 T 1.162e+06 0.00e+00 a 0 - - - >> 358 1.942 8.396 32.294 1 T 2.380e+06 0.00e+00 a 0 - - - >> 359 1.622 0.950 29.031 1 T 4.540e+06 0.00e+00 a 0 - - - >> 360 1.635 0.818 29.088 1 T 4.369e+06 0.00e+00 a 0 - - - >> 361 1.702 4.294 29.003 1 T 5.659e+06 0.00e+00 a 0 - - - >> 362 1.629 8.439 29.028 1 T 1.680e+06 0.00e+00 a 0 - - - >> 363 2.951 3.380 41.723 1 T 2.997e+06 0.00e+00 a 0 - - - >> 364 3.003 4.030 41.784 1 T 7.455e+06 0.00e+00 a 0 - - - >> 365 3.011 4.441 41.798 1 T 1.972e+06 0.00e+00 a 0 - - - >> 366 2.998 4.576 41.777 1 T 2.046e+06 0.00e+00 a 0 - - - >> 367 2.955 4.791 41.717 1 T 1.163e+06 0.00e+00 a 0 - - - >> 368 2.963 4.962 41.618 1 T 1.027e+06 0.00e+00 a 0 - - - >> 369 2.968 5.111 41.641 1 T 9.965e+05 0.00e+00 a 0 - - - >> 370 1.516 2.217 24.761 1 T 6.944e+06 0.00e+00 a 0 - - - >> 371 1.508 7.840 24.785 1 T 7.436e+05 0.00e+00 a 0 - - - >> 372 1.505 8.397 24.788 1 T 5.721e+05 0.00e+00 a 0 - - - >> 373 3.979 7.840 59.042 1 T 8.484e+05 0.00e+00 a 0 - - - >> 374 3.087 8.408 43.383 1 T 1.247e+06 0.00e+00 a 0 - - - >> 375 3.084 8.580 43.376 1 T 7.599e+05 0.00e+00 a 0 - - - >> 376 3.081 3.979 43.377 1 T 3.166e+06 0.00e+00 a 0 - - - >> 377 3.074 3.880 43.368 1 T 3.026e+06 0.00e+00 a 0 - - - >> 378 3.081 1.887 43.391 1 T 1.035e+07 0.00e+00 a 0 - - - >> 379 3.073 1.708 43.287 1 T 1.072e+07 0.00e+00 a 0 - - - >> 380 3.087 0.950 43.400 1 T 7.108e+06 0.00e+00 a 0 - - - >> 381 1.720 3.085 27.655 1 T 3.915e+06 0.00e+00 a 0 - - - >> 382 1.916 8.391 27.660 1 T 1.425e+06 0.00e+00 a 0 - - - >> 383 1.914 4.458 27.438 1 T 2.801e+06 0.00e+00 a 0 - - - >> 384 1.915 4.329 27.439 1 T 2.678e+06 0.00e+00 a 0 - - - >> 385 1.916 3.939 27.469 1 T 5.077e+06 0.00e+00 a 0 - - - >> 386 1.916 3.714 27.438 1 T 3.676e+06 0.00e+00 a 0 - - - >> 387 1.914 3.092 27.589 1 T 2.315e+06 0.00e+00 a 0 - - - >> 388 1.914 2.050 27.477 1 T 2.048e+07 0.00e+00 a 0 - - - >> 389 1.915 0.949 27.476 1 T 5.983e+06 0.00e+00 a 0 - - - >> 390 2.606 8.587 27.300 1 T 6.024e+05 0.00e+00 a 0 - - - >> 391 2.611 3.937 27.439 1 T 1.437e+06 0.00e+00 a 0 - - - >> 392 2.605 3.096 27.462 1 T 1.204e+06 0.00e+00 a 0 - - - >> 395 2.580 1.981 27.261 1 T 9.476e+05 0.00e+00 a 0 - - - >> 396 3.096 2.613 27.496 1 T 1.037e+06 0.00e+00 a 0 - - - >> 397 3.123 2.617 27.319 1 T 1.019e+06 0.00e+00 a 0 - - - >> 398 3.830 3.133 58.230 1 T 1.611e+06 0.00e+00 a 0 - - - >> 399 3.830 1.958 58.253 1 T 1.035e+07 0.00e+00 a 0 - - - >> 400 3.820 4.281 58.200 1 T 1.090e+06 0.00e+00 a 0 - - - >> 401 1.947 3.675 29.737 1 T 1.710e+06 0.00e+00 a 0 - - - >> 402 1.963 3.092 36.306 1 T 9.074e+05 0.00e+00 a 0 - - - >> 403 1.971 2.456 36.242 1 T 9.659e+05 0.00e+00 a 0 - - - >> 404 1.958 3.829 36.295 1 T 3.816e+06 0.00e+00 a 0 - - - >> 405 1.960 3.697 36.296 1 T 2.011e+06 0.00e+00 a 0 - - - >> 406 1.941 7.642 36.257 1 T 1.196e+06 0.00e+00 a 0 - - - >> 407 1.970 7.633 36.299 1 T 1.010e+06 0.00e+00 a 0 - - - >> 408 1.984 3.261 30.337 1 T 1.087e+07 0.00e+00 a 0 - - - >> 409 1.979 2.465 30.317 1 T 4.159e+06 0.00e+00 a 0 - - - >> 410 1.982 4.054 30.285 1 T 1.102e+07 0.00e+00 a 0 - - - >> 411 1.981 8.391 30.458 1 T 1.320e+06 0.00e+00 a 0 - - - >> 412 2.108 1.251 30.293 1 T 3.678e+06 0.00e+00 a 0 - - - >> 413 2.108 1.092 30.347 1 T 3.075e+06 0.00e+00 a 0 - - - >> 414 2.236 4.252 36.372 1 T 5.514e+06 0.00e+00 a 0 - - - >> 416 2.236 4.071 36.588 1 T 6.587e+06 0.00e+00 a 0 - - - >> 417 2.227 8.659 37.135 1 T 2.291e+06 0.00e+00 a 0 - - - >> 418 2.505 8.660 37.169 1 T 2.489e+06 0.00e+00 a 0 - - - >> 419 2.472 4.109 36.350 1 T 6.516e+06 0.00e+00 a 0 - - - >> 420 2.478 3.918 36.369 1 T 2.949e+06 0.00e+00 a 0 - - - >> 421 2.465 4.242 36.268 1 T 5.194e+06 0.00e+00 a 0 - - - >> 422 2.480 8.146 36.352 1 T 1.197e+06 0.00e+00 a 0 - - - >> 423 2.466 8.447 36.296 1 T 1.963e+06 0.00e+00 a 0 - - - >> 424 2.479 7.131 36.202 1 T 1.568e+06 0.00e+00 a 0 - - - >> 425 2.466 2.232 36.366 1 T 2.985e+07 0.00e+00 a 0 - - - >> 426 2.468 2.130 36.350 1 T 2.388e+07 0.00e+00 a 0 - - - >> 428 2.467 1.550 36.392 1 T 2.436e+06 0.00e+00 a 0 - - - >> 429 2.476 1.154 36.302 1 T 4.596e+06 0.00e+00 a 0 - - - >> 430 4.261 2.480 56.371 1 T 9.379e+06 0.00e+00 a 0 - - - >> 431 4.263 3.191 56.091 1 T 3.808e+06 0.00e+00 a 0 - - - >> 432 4.301 3.965 56.497 1 T 2.455e+06 0.00e+00 a 0 - - - >> 433 2.005 0.901 33.220 1 T 2.222e+07 0.00e+00 a 0 - - - >> 434 2.005 4.116 33.182 1 T 6.049e+06 0.00e+00 a 0 - - - >> 435 2.255 7.270 18.532 1 T 1.918e+06 0.00e+00 a 0 - - - >> 436 2.256 7.072 18.563 1 T 4.158e+06 0.00e+00 a 0 - - - >> 437 2.256 6.817 18.559 1 T 1.732e+06 0.00e+00 a 0 - - - >> 438 2.256 8.447 18.541 1 T 1.413e+06 0.00e+00 a 0 - - - >> 439 2.255 8.610 18.565 1 T 5.697e+05 0.00e+00 a 0 - - - >> 440 2.256 4.731 18.524 1 T 1.217e+06 0.00e+00 a 0 - - - >> 441 2.256 4.539 18.554 1 T 5.154e+06 0.00e+00 a 0 - - - >> 442 2.257 4.272 18.567 1 T 3.724e+06 0.00e+00 a 0 - - - >> 443 2.257 4.125 18.562 1 T 3.537e+06 0.00e+00 a 0 - - - >> 444 2.256 3.860 18.557 1 T 6.148e+06 0.00e+00 a 0 - - - >> 445 2.254 4.987 18.518 1 T 6.686e+05 0.00e+00 a 0 - - - >> 446 2.255 3.591 18.540 1 T 9.850e+05 0.00e+00 a 0 - - - >> 447 2.255 3.346 18.534 1 T 3.356e+06 0.00e+00 a 0 - - - >> 448 2.256 2.986 18.552 1 T 7.921e+06 0.00e+00 a 0 - - - >> 449 2.256 2.798 18.542 1 T 4.505e+06 0.00e+00 a 0 - - - >> 450 2.256 2.418 18.555 1 T 7.879e+06 0.00e+00 a 0 - - - >> 451 2.256 2.090 18.527 1 T 8.598e+06 0.00e+00 a 0 - - - >> 452 2.255 1.625 18.560 1 T 3.269e+06 0.00e+00 a 0 - - - >> 453 2.256 0.939 18.550 1 T 1.233e+07 0.00e+00 a 0 - - - >> 454 2.256 0.522 18.599 1 T 9.050e+05 0.00e+00 a 0 - - - >> 455 2.257 0.426 18.580 1 T 1.097e+06 0.00e+00 a 0 - - - >> 456 2.257 -0.242 18.543 1 T 2.645e+06 0.00e+00 a 0 - - - >> 458 2.255 -0.360 18.565 1 T 1.215e+06 0.00e+00 a 0 - - - >> 459 2.953 3.942 33.001 1 T 1.082e+06 0.00e+00 a 0 - - - >> 460 2.947 4.289 33.038 1 T 1.002e+06 0.00e+00 a 0 - - - >> 461 2.952 2.450 33.339 1 T 1.275e+06 0.00e+00 a 0 - - - >> 462 2.958 2.254 33.169 1 T 1.141e+06 0.00e+00 a 0 - - - >> 463 2.955 1.977 32.967 1 T 1.172e+06 0.00e+00 a 0 - - - >> 464 3.025 3.927 33.135 1 T 1.158e+06 0.00e+00 a 0 - - - >> 465 3.020 2.254 33.142 1 T 1.351e+06 0.00e+00 a 0 - - - >> 467 3.027 2.017 33.071 1 T 1.357e+06 0.00e+00 a 0 - - - >> 468 3.960 2.967 57.139 1 T 4.150e+06 0.00e+00 a 0 - - - >> 469 3.957 1.619 57.269 1 T 5.422e+06 0.00e+00 a 0 - - - >> 470 3.960 1.327 57.146 1 T 6.823e+06 0.00e+00 a 0 - - - >> 471 1.101 3.960 33.472 1 T 1.756e+06 0.00e+00 a 0 - - - >> 472 1.086 3.004 33.533 1 T 6.738e+05 0.00e+00 a 0 - - - >> 473 1.100 1.611 33.467 1 T 2.226e+06 0.00e+00 a 0 - - - >> 474 1.103 1.324 33.497 1 T 5.659e+06 0.00e+00 a 0 - - - >> 475 1.310 1.103 33.478 1 T 4.075e+06 0.00e+00 a 0 - - - >> 476 1.310 1.614 33.481 1 T 2.476e+06 0.00e+00 a 0 - - - >> 477 1.309 3.004 33.457 1 T 8.835e+05 0.00e+00 a 0 - - - >> 478 1.311 3.960 33.488 1 T 2.040e+06 0.00e+00 a 0 - - - >> 479 1.612 1.102 28.954 1 T 7.893e+06 0.00e+00 a 0 - - - >> 480 1.611 1.365 28.952 1 T 1.569e+07 0.00e+00 a 0 - - - >> 481 1.614 1.231 29.034 1 T 1.451e+07 0.00e+00 a 0 - - - >> 482 1.618 2.989 29.088 1 T 2.082e+07 0.00e+00 a 0 - - - >> 483 1.614 3.961 28.988 1 T 5.356e+06 0.00e+00 a 0 - - - >> 485 1.608 6.955 28.988 1 T 1.924e+06 0.00e+00 a 0 - - - >> 486 1.596 7.276 28.832 1 T 8.319e+05 0.00e+00 a 0 - - - >> 487 1.610 7.251 29.135 1 T 8.456e+05 0.00e+00 a 0 - - - >> 488 3.003 6.949 41.923 1 T 1.645e+06 0.00e+00 a 0 - - - >> 489 3.001 4.281 41.802 1 T 4.395e+06 0.00e+00 a 0 - - - >> 490 3.011 3.442 41.821 1 T 4.140e+06 0.00e+00 a 0 - - - >> 491 3.002 3.255 41.833 1 T 1.094e+07 0.00e+00 a 0 - - - >> 492 2.999 2.748 41.729 1 T 7.204e+06 0.00e+00 a 0 - - - >> 494 2.998 2.242 41.798 1 T 6.668e+06 0.00e+00 a 0 - - - >> 495 3.003 2.075 41.754 1 T 8.717e+06 0.00e+00 a 0 - - - >> 496 3.002 1.686 41.805 1 T 7.369e+07 0.00e+00 a 0 - - - >> 497 3.004 1.475 41.820 1 T 2.819e+07 0.00e+00 a 0 - - - >> 498 3.006 1.233 41.846 1 T 8.169e+06 0.00e+00 a 0 - - - >> 499 1.218 1.363 25.120 1 T 1.633e+07 0.00e+00 a 0 - - - >> 500 1.217 1.613 25.245 1 T 9.405e+06 0.00e+00 a 0 - - - >> 501 1.217 2.989 25.333 1 T 3.742e+06 0.00e+00 a 0 - - - >> 502 1.216 3.960 25.157 1 T 3.727e+06 0.00e+00 a 0 - - - >> 503 1.217 6.934 25.105 1 T 4.823e+05 0.00e+00 a 0 - - - >> 504 1.374 1.227 25.113 1 T 1.507e+07 0.00e+00 a 0 - - - >> 505 4.980 0.877 54.900 1 T 9.695e+05 0.00e+00 a 0 - - - >> 506 4.988 1.298 54.903 1 T 7.619e+05 0.00e+00 a 0 - - - >> 507 4.981 1.204 55.008 1 T 9.199e+05 0.00e+00 a 0 - - - >> 508 4.989 1.635 54.947 1 T 6.111e+05 0.00e+00 a 0 - - - >> 509 4.985 2.831 54.923 1 T 1.788e+06 0.00e+00 a 0 - - - >> 510 4.982 3.268 54.859 1 T 2.092e+06 0.00e+00 a 0 - - - >> 511 4.980 6.944 54.978 1 T 8.783e+05 0.00e+00 a 0 - - - >> 512 4.981 7.280 54.912 1 T 3.365e+06 0.00e+00 a 0 - - - >> 513 2.832 7.277 41.758 1 T 2.093e+06 0.00e+00 a 0 - - - >> 514 2.837 4.979 41.689 1 T 1.030e+06 0.00e+00 a 0 - - - >> 515 2.842 3.262 41.750 1 T 2.327e+06 0.00e+00 a 0 - - - >> 516 2.845 0.869 41.646 1 T 2.441e+06 0.00e+00 a 0 - - - >> 517 2.829 0.431 41.788 1 T 9.760e+05 0.00e+00 a 0 - - - >> 518 3.269 7.281 41.762 1 T 2.264e+06 0.00e+00 a 0 - - - >> 519 3.270 4.985 41.817 1 T 1.160e+06 0.00e+00 a 0 - - - >> 520 3.271 2.847 41.775 1 T 2.619e+06 0.00e+00 a 0 - - - >> 521 3.272 2.601 41.802 1 T 7.120e+05 0.00e+00 a 0 - - - >> 522 3.267 0.877 41.808 1 T 1.583e+06 0.00e+00 a 0 - - - >> 523 3.756 4.692 60.394 1 T 9.734e+05 0.00e+00 a 0 - - - >> 524 3.730 4.345 60.288 1 T 1.137e+06 0.00e+00 a 0 - - - >> 525 3.750 2.874 60.319 1 T 5.833e+06 0.00e+00 a 0 - - - >> 526 3.738 1.685 60.257 1 T 2.122e+06 0.00e+00 a 0 - - - >> 527 3.748 0.878 60.195 1 T 8.231e+05 0.00e+00 a 0 - - - >> 528 3.756 -0.250 60.328 1 T 7.331e+05 0.00e+00 a 0 - - - >> 529 2.841 -0.236 25.664 1 T 1.045e+06 0.00e+00 a 0 - - - >> 530 2.859 -0.367 25.812 1 T 8.486e+05 0.00e+00 a 0 - - - >> 531 2.868 3.753 25.767 1 T 9.912e+05 0.00e+00 a 0 - - - >> 532 2.916 -0.382 25.807 1 T 6.952e+05 0.00e+00 a 0 - - - >> 533 3.614 0.388 60.530 1 T 1.606e+06 0.00e+00 a 0 - - - >> 534 3.612 0.561 60.646 1 T 7.604e+05 0.00e+00 a 0 - - - >> 535 3.617 0.846 60.557 1 T 2.463e+06 0.00e+00 a 0 - - - >> 536 3.616 1.071 60.627 1 T 2.381e+06 0.00e+00 a 0 - - - >> 537 3.612 1.249 60.608 1 T 4.597e+06 0.00e+00 a 0 - - - >> 538 3.612 1.434 60.578 1 T 2.266e+06 0.00e+00 a 0 - - - >> 539 3.611 1.677 60.580 1 T 6.456e+06 0.00e+00 a 0 - - - >> 540 3.615 1.878 60.576 1 T 2.589e+06 0.00e+00 a 0 - - - >> 541 3.623 2.004 60.474 1 T 2.680e+06 0.00e+00 a 0 - - - >> 542 3.617 2.181 60.617 1 T 1.662e+06 0.00e+00 a 0 - - - >> 543 3.610 2.954 60.616 1 T 2.996e+06 0.00e+00 a 0 - - - >> 544 3.611 3.938 60.603 1 T 1.161e+06 0.00e+00 a 0 - - - >> 545 3.613 4.256 60.644 1 T 1.021e+06 0.00e+00 a 0 - - - >> 546 3.618 4.635 60.659 1 T 6.154e+05 0.00e+00 a 0 - - - >> 547 3.610 8.169 60.652 1 T 8.364e+05 0.00e+00 a 0 - - - >> 548 3.606 8.811 60.633 1 T 1.204e+06 0.00e+00 a 0 - - - >> 549 1.683 3.622 33.269 1 T 1.208e+06 0.00e+00 a 0 - - - >> 550 1.679 2.967 33.136 1 T 1.529e+06 0.00e+00 a 0 - - - >> 551 1.713 2.962 33.143 1 T 1.522e+06 0.00e+00 a 0 - - - >> 552 2.959 7.260 41.541 1 T 8.303e+05 0.00e+00 a 0 - - - >> 553 2.959 3.960 41.522 1 T 9.905e+06 0.00e+00 a 0 - - - >> 554 2.961 1.240 41.506 1 T 1.098e+07 0.00e+00 a 0 - - - >> 555 1.282 2.191 24.836 1 T 2.113e+06 0.00e+00 a 0 - - - >> 556 1.282 3.619 25.252 1 T 1.949e+06 0.00e+00 a 0 - - - >> 557 1.279 4.287 25.239 1 T 7.640e+05 0.00e+00 a 0 - - - >> 558 1.422 3.686 25.082 1 T 4.260e+06 0.00e+00 a 0 - - - >> 559 1.741 1.098 29.814 1 T 3.301e+06 0.00e+00 a 0 - - - >> 560 2.199 1.750 29.779 1 T 8.852e+06 0.00e+00 a 0 - - - >> 561 2.188 3.286 29.829 1 T 1.666e+06 0.00e+00 a 0 - - - >> 562 2.198 4.634 29.693 1 T 2.035e+06 0.00e+00 a 0 - - - >> 563 1.648 3.001 27.710 1 T 1.233e+07 0.00e+00 a 0 - - - >> 564 3.007 0.827 41.758 1 T 7.055e+06 0.00e+00 a 0 - - - >> 565 3.007 4.811 41.924 1 T 1.172e+06 0.00e+00 a 0 - - - >> 566 3.009 7.294 41.725 1 T 1.129e+06 0.00e+00 a 0 - - - >> 568 4.265 0.289 59.523 1 T 1.404e+06 0.00e+00 a 0 - - - >> 569 4.253 0.416 59.431 1 T 1.165e+06 0.00e+00 a 0 - - - >> 570 4.264 3.198 59.507 1 T 4.840e+06 0.00e+00 a 0 - - - >> 571 4.262 3.940 59.646 1 T 2.586e+06 0.00e+00 a 0 - - - >> 572 4.278 6.818 59.665 1 T 7.825e+05 0.00e+00 a 0 - - - >> 573 4.265 6.982 59.656 1 T 1.461e+06 0.00e+00 a 0 - - - >> 574 4.258 7.946 59.567 1 T 1.394e+06 0.00e+00 a 0 - - - >> 575 4.270 8.697 59.671 1 T 7.242e+05 0.00e+00 a 0 - - - >> 576 4.239 7.126 64.362 1 T 1.962e+06 0.00e+00 a 0 - - - >> 577 4.235 7.328 64.513 1 T 7.721e+05 0.00e+00 a 0 - - - >> 578 4.238 2.964 64.428 1 T 1.380e+06 0.00e+00 a 0 - - - >> 579 4.235 2.813 64.452 1 T 1.182e+06 0.00e+00 a 0 - - - >> 580 4.236 3.290 64.408 1 T 5.274e+05 0.00e+00 a 0 - - - >> 581 4.242 2.433 64.558 1 T 6.706e+05 0.00e+00 a 0 - - - >> 582 2.810 2.443 26.815 1 T 6.579e+05 0.00e+00 a 0 - - - >> 583 3.896 1.857 59.298 1 T 4.808e+06 0.00e+00 a 0 - - - >> 584 3.893 3.146 59.251 1 T 2.191e+06 0.00e+00 a 0 - - - >> 585 3.899 8.749 59.283 1 T 1.969e+06 0.00e+00 a 0 - - - >> 586 1.520 1.853 28.454 1 T 5.804e+06 0.00e+00 a 0 - - - >> 587 1.516 3.138 28.489 1 T 2.718e+06 0.00e+00 a 0 - - - >> 588 1.517 3.878 28.476 1 T 2.085e+06 0.00e+00 a 0 - - - >> 589 1.843 8.776 28.621 1 T 1.206e+06 0.00e+00 a 0 - - - >> 590 3.941 2.862 58.356 1 T 1.464e+06 0.00e+00 a 0 - - - >> 591 3.932 2.998 58.192 1 T 2.107e+06 0.00e+00 a 0 - - - >> 592 3.951 7.348 58.375 1 T 6.420e+05 0.00e+00 a 0 - - - >> 593 3.934 7.889 58.133 1 T 1.282e+06 0.00e+00 a 0 - - - >> 594 1.868 4.225 28.934 1 T 4.780e+06 0.00e+00 a 0 - - - >> 595 1.832 7.871 28.921 1 T 7.193e+05 0.00e+00 a 0 - - - >> 596 4.104 7.311 58.255 1 T 1.628e+06 0.00e+00 a 0 - - - >> 597 4.100 8.161 58.258 1 T 7.577e+05 0.00e+00 a 0 - - - >> 598 4.094 7.829 58.180 1 T 7.956e+05 0.00e+00 a 0 - - - >> 599 1.077 7.350 40.218 1 T 5.078e+05 0.00e+00 a 0 - - - >> 600 1.081 1.796 40.268 1 T 7.035e+05 0.00e+00 a 0 - - - >> 601 1.078 0.526 40.212 1 T 1.116e+06 0.00e+00 a 0 - - - >> 603 1.071 -0.234 40.101 1 T 8.715e+05 0.00e+00 a 0 - - - >> 604 1.801 -0.204 40.186 1 T 8.845e+05 0.00e+00 a 0 - - - >> 605 1.793 0.530 40.228 1 T 9.875e+05 0.00e+00 a 0 - - - >> 606 1.809 1.018 40.151 1 T 1.746e+06 0.00e+00 a 0 - - - >> 607 -0.228 8.467 25.051 1 T 1.033e+06 0.00e+00 a 0 - - - >> 608 -0.228 7.998 24.980 1 T 1.170e+06 0.00e+00 a 0 - - - >> 609 -0.227 7.330 24.999 1 T 1.622e+06 0.00e+00 a 0 - - - >> 610 -0.231 4.509 24.907 1 T 7.957e+05 0.00e+00 a 0 - - - >> 611 -0.227 4.228 24.917 1 T 1.745e+06 0.00e+00 a 0 - - - >> 612 -0.227 4.097 25.055 1 T 2.454e+06 0.00e+00 a 0 - - - >> 613 -0.228 3.913 24.983 1 T 2.172e+06 0.00e+00 a 0 - - - >> 614 -0.230 3.426 24.894 1 T 1.473e+06 0.00e+00 a 0 - - - >> 615 -0.227 2.640 24.863 1 T 1.296e+06 0.00e+00 a 0 - - - >> 616 -0.228 2.225 24.941 1 T 2.085e+06 0.00e+00 a 0 - - - >> 618 -0.230 2.032 24.919 1 T 1.854e+06 0.00e+00 a 0 - - - >> 619 -0.227 1.799 25.025 1 T 3.492e+06 0.00e+00 a 0 - - - >> 620 -0.228 1.454 25.026 1 T 4.587e+06 0.00e+00 a 0 - - - >> 621 -0.227 0.998 25.016 1 T 1.276e+07 0.00e+00 a 0 - - - >> 622 -0.228 0.796 24.984 1 T 8.197e+06 0.00e+00 a 0 - - - >> 623 -0.228 0.525 24.992 1 T 1.269e+07 0.00e+00 a 0 - - - >> 624 0.525 -0.227 22.655 1 T 1.075e+07 0.00e+00 a 0 - - - >> 625 0.526 0.775 22.749 1 T 1.375e+07 0.00e+00 a 0 - - - >> 626 0.526 0.985 22.709 1 T 1.661e+07 0.00e+00 a 0 - - - >> 627 0.526 2.204 22.723 1 T 2.599e+06 0.00e+00 a 0 - - - >> 628 0.526 1.806 22.731 1 T 3.516e+06 0.00e+00 a 0 - - - >> 629 0.527 1.457 22.759 1 T 4.568e+06 0.00e+00 a 0 - - - >> 630 0.529 2.642 22.642 1 T 1.037e+06 0.00e+00 a 0 - - - >> 631 0.528 3.076 22.522 1 T 7.320e+05 0.00e+00 a 0 - - - >> 632 0.527 2.937 22.736 1 T 7.661e+05 0.00e+00 a 0 - - - >> 633 0.525 4.100 22.685 1 T 4.950e+06 0.00e+00 a 0 - - - >> 634 0.523 4.584 22.690 1 T 9.104e+05 0.00e+00 a 0 - - - >> 635 0.526 7.333 22.682 1 T 1.944e+06 0.00e+00 a 0 - - - >> 636 0.530 7.160 22.782 1 T 1.899e+06 0.00e+00 a 0 - - - >> 637 0.523 7.990 22.650 1 T 1.095e+06 0.00e+00 a 0 - - - >> 638 0.530 8.697 22.656 1 T 9.145e+05 0.00e+00 a 0 - - - >> 639 1.009 3.886 27.131 1 T 8.369e+05 0.00e+00 a 0 - - - >> 640 1.007 0.530 27.040 1 T 2.647e+06 0.00e+00 a 0 - - - >> 641 1.001 -0.224 27.065 1 T 2.629e+06 0.00e+00 a 0 - - - >> 642 3.472 3.945 48.350 1 T 8.993e+05 0.00e+00 a 0 - - - >> 644 3.457 4.122 48.355 1 T 1.019e+06 0.00e+00 a 0 - - - >> 645 3.460 7.991 48.426 1 T 1.034e+06 0.00e+00 a 0 - - - >> 646 4.109 8.005 48.367 1 T 1.178e+06 0.00e+00 a 0 - - - >> 647 4.117 3.951 48.460 1 T 8.342e+05 0.00e+00 a 0 - - - >> 648 4.094 3.479 48.328 1 T 9.286e+05 0.00e+00 a 0 - - - >> 649 4.125 3.455 48.379 1 T 9.978e+05 0.00e+00 a 0 - - - >> 650 4.261 1.421 59.579 1 T 2.282e+06 0.00e+00 a 0 - - - >> 651 4.246 2.394 59.572 1 T 1.089e+06 0.00e+00 a 0 - - - >> 652 4.256 8.451 59.645 1 T 7.828e+05 0.00e+00 a 0 - - - >> 653 3.170 8.728 30.293 1 T 1.062e+06 0.00e+00 a 0 - - - >> 654 3.189 8.413 30.266 1 T 7.828e+05 0.00e+00 a 0 - - - >> 655 3.161 8.366 30.295 1 T 7.897e+05 0.00e+00 a 0 - - - >> 656 3.178 8.550 30.285 1 T 7.250e+05 0.00e+00 a 0 - - - >> 657 3.171 6.976 30.395 1 T 9.387e+05 0.00e+00 a 0 - - - >> 658 3.168 4.265 30.364 1 T 2.548e+06 0.00e+00 a 0 - - - >> 659 3.209 1.548 30.322 1 T 1.197e+06 0.00e+00 a 0 - - - >> 660 3.217 4.261 30.416 1 T 2.849e+06 0.00e+00 a 0 - - - >> 661 3.220 8.405 30.268 1 T 8.806e+05 0.00e+00 a 0 - - - >> 662 3.219 8.724 30.390 1 T 1.229e+06 0.00e+00 a 0 - - - >> 663 3.912 8.573 59.454 1 T 1.065e+06 0.00e+00 a 0 - - - >> 664 3.916 6.813 59.570 1 T 7.689e+05 0.00e+00 a 0 - - - >> 665 3.948 0.938 59.575 1 T 6.228e+06 0.00e+00 a 0 - - - >> 666 3.924 1.646 59.616 1 T 8.051e+06 0.00e+00 a 0 - - - >> 667 3.470 8.556 68.100 1 T 8.384e+05 0.00e+00 a 0 - - - >> 668 3.464 7.982 68.099 1 T 7.240e+05 0.00e+00 a 0 - - - >> 669 3.453 2.182 67.973 1 T 1.067e+06 0.00e+00 a 0 - - - >> 670 3.484 2.230 68.158 1 T 6.877e+05 0.00e+00 a 0 - - - >> 671 3.465 1.834 67.949 1 T 1.158e+06 0.00e+00 a 0 - - - >> 672 3.461 0.925 68.013 1 T 4.888e+06 0.00e+00 a 0 - - - >> 673 2.196 8.548 31.225 1 T 1.315e+06 0.00e+00 a 0 - - - >> 674 0.914 8.559 23.877 1 T 5.066e+06 0.00e+00 a 0 - - - >> 675 0.914 7.960 23.832 1 T 2.307e+06 0.00e+00 a 0 - - - >> 676 0.914 3.462 23.848 1 T 7.435e+06 0.00e+00 a 0 - - - >> 677 0.905 2.180 23.926 1 T 1.291e+07 0.00e+00 a 0 - - - >> 678 0.915 0.546 23.798 1 T 1.415e+07 0.00e+00 a 0 - - - >> 679 0.915 -0.230 23.883 1 T 1.603e+06 0.00e+00 a 0 - - - >> 680 0.918 -0.080 23.770 1 T 6.540e+05 0.00e+00 a 0 - - - >> 681 0.912 3.920 23.724 1 T 4.437e+06 0.00e+00 a 0 - - - >> 682 0.913 4.121 23.586 1 T 1.312e+07 0.00e+00 a 0 - - - >> 683 0.843 7.235 23.555 1 T 9.162e+05 0.00e+00 a 0 - - - >> 684 0.844 7.812 23.599 1 T 6.492e+05 0.00e+00 a 0 - - - >> 685 0.915 7.798 23.672 1 T 9.925e+05 0.00e+00 a 0 - - - >> 686 0.944 8.567 22.901 1 T 4.174e+06 0.00e+00 a 0 - - - >> 687 0.942 7.958 22.861 1 T 2.046e+06 0.00e+00 a 0 - - - >> 688 0.944 7.627 22.792 1 T 9.644e+05 0.00e+00 a 0 - - - >> 689 0.940 8.185 22.928 1 T 6.200e+05 0.00e+00 a 0 - - - >> 690 0.943 3.491 22.900 1 T 6.328e+06 0.00e+00 a 0 - - - >> 691 0.941 3.929 22.957 1 T 3.181e+06 0.00e+00 a 0 - - - >> 692 0.940 3.166 22.960 1 T 1.193e+06 0.00e+00 a 0 - - - >> 693 0.941 0.553 23.001 1 T 8.698e+06 0.00e+00 a 0 - - - >> 694 0.942 0.402 22.905 1 T 4.257e+06 0.00e+00 a 0 - - - >> 695 3.925 0.295 57.840 1 T 2.561e+06 0.00e+00 a 0 - - - >> 696 3.923 0.413 57.847 1 T 3.076e+06 0.00e+00 a 0 - - - >> 697 3.904 0.905 57.618 1 T 4.851e+06 0.00e+00 a 0 - - - >> 698 3.931 1.585 57.744 1 T 5.173e+06 0.00e+00 a 0 - - - >> 699 3.939 4.266 57.615 1 T 1.395e+06 0.00e+00 a 0 - - - >> 700 3.914 4.255 57.817 1 T 1.513e+06 0.00e+00 a 0 - - - >> 701 3.928 7.944 57.880 1 T 1.426e+06 0.00e+00 a 0 - - - >> 702 1.410 0.290 41.408 1 T 3.099e+06 0.00e+00 a 0 - - - >> 703 1.411 0.415 41.394 1 T 3.113e+06 0.00e+00 a 0 - - - >> 704 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- - - >>1838 1.793 0.409 26.899 1 T 1.267e+06 0.00e+00 a 0 - - - >>1839 1.784 0.900 26.856 1 T 1.235e+07 0.00e+00 a 0 - - - >>1840 1.788 2.087 26.949 1 T 1.831e+07 0.00e+00 a 0 - - - >>1841 1.795 2.547 26.980 1 T 1.724e+06 0.00e+00 a 0 - - - >>1842 1.782 2.980 26.805 1 T 2.268e+06 0.00e+00 a 0 - - - >>1843 1.783 2.751 26.924 1 T 1.501e+06 0.00e+00 a 0 - - - >>1844 1.785 3.301 26.945 1 T 1.307e+07 0.00e+00 a 0 - - - >>1845 1.787 4.172 26.896 1 T 1.094e+07 0.00e+00 a 0 - - - >>1846 1.793 4.456 26.964 1 T 2.585e+06 0.00e+00 a 0 - - - >>1847 1.780 4.632 26.920 1 T 2.245e+06 0.00e+00 a 0 - - - >>1848 4.230 9.071 60.155 1 T 9.623e+05 0.00e+00 a 0 - - - >>1849 4.226 2.736 60.057 1 T 2.175e+06 0.00e+00 a 0 - - - >>1850 4.223 2.974 60.068 1 T 3.846e+06 0.00e+00 a 0 - - - >>1851 4.219 1.002 60.070 1 T 1.107e+06 0.00e+00 a 0 - - - >>1852 1.838 1.152 29.040 1 T 1.466e+06 0.00e+00 a 0 - - - >>1853 1.827 1.698 29.071 1 T 3.127e+07 0.00e+00 a 0 - - - >>1854 1.831 2.997 29.143 1 T 7.821e+06 0.00e+00 a 0 - - - >>1855 1.713 1.990 25.962 1 T 4.431e+06 0.00e+00 a 0 - - - >>1856 1.715 2.979 25.895 1 T 4.436e+06 0.00e+00 a 0 - - - >>1857 4.077 2.943 58.183 1 T 2.150e+06 0.00e+00 a 0 - - - >>1858 1.529 0.915 42.165 1 T 1.141e+07 0.00e+00 a 0 - - - >>1859 1.557 2.338 42.254 1 T 2.007e+06 0.00e+00 a 0 - - - >>1860 1.569 4.579 42.319 1 T 7.240e+05 0.00e+00 a 0 - - - >>1861 1.568 9.058 42.383 1 T 9.820e+05 0.00e+00 a 0 - - - >>1862 2.352 9.068 42.366 1 T 1.141e+06 0.00e+00 a 0 - - - >>1863 2.280 8.996 42.163 1 T 5.119e+05 0.00e+00 a 0 - - - >>1864 2.324 7.308 42.362 1 T 6.712e+05 0.00e+00 a 0 - - - >>1866 1.533 7.293 42.318 1 T 8.153e+05 0.00e+00 a 0 - - - >>1867 2.352 1.562 42.235 1 T 1.775e+06 0.00e+00 a 0 - - - >>1868 2.347 0.778 42.300 1 T 2.877e+06 0.00e+00 a 0 - - - >>1869 0.769 -0.225 25.837 1 T 1.273e+06 0.00e+00 a 0 - - - >>1870 0.768 0.535 25.848 1 T 8.424e+06 0.00e+00 a 0 - - - >>1871 0.768 1.962 25.880 1 T 7.052e+06 0.00e+00 a 0 - - - >>1872 0.766 4.103 26.088 1 T 4.213e+06 0.00e+00 a 0 - - - >>1873 0.770 3.893 25.924 1 T 2.520e+06 0.00e+00 a 0 - - - >>1874 0.767 2.953 25.967 1 T 1.027e+06 0.00e+00 a 0 - - - >>1875 0.768 4.588 25.831 1 T 2.845e+06 0.00e+00 a 0 - - - >>1876 0.772 7.259 25.851 1 T 3.184e+06 0.00e+00 a 0 - - - >>1877 0.766 7.587 25.751 1 T 7.285e+05 0.00e+00 a 0 - - - >>1878 0.767 8.155 25.740 1 T 7.528e+05 0.00e+00 a 0 - - - >>1879 0.767 9.063 25.825 1 T 2.194e+06 0.00e+00 a 0 - - - >>1880 0.763 8.452 25.640 1 T 5.297e+05 0.00e+00 a 0 - - - >>1881 0.782 9.063 23.849 1 T 2.678e+06 0.00e+00 a 0 - - - >>1882 0.783 8.173 23.860 1 T 1.319e+06 0.00e+00 a 0 - - - >>1883 0.783 7.956 23.888 1 T 1.037e+06 0.00e+00 a 0 - - - >>1884 0.782 7.240 23.840 1 T 5.248e+06 0.00e+00 a 0 - - - >>1885 0.781 6.836 23.909 1 T 9.934e+05 0.00e+00 a 0 - - - >>1886 0.781 1.566 23.799 1 T 1.397e+07 0.00e+00 a 0 - - - >>1887 0.778 -0.075 23.856 1 T 1.164e+06 0.00e+00 a 0 - - - >>1888 3.846 3.375 61.378 1 T 1.803e+06 0.00e+00 a 0 - - - >>1889 3.840 0.789 61.435 1 T 1.212e+06 0.00e+00 a 0 - - - >>1890 3.720 3.835 62.569 1 T 1.586e+07 0.00e+00 a 0 - - - >>1891 3.721 4.192 62.655 1 T 1.911e+06 0.00e+00 a 0 - - - >>1892 3.724 8.127 62.550 1 T 8.911e+05 0.00e+00 a 0 - - - >>1893 3.716 7.551 62.559 1 T 9.815e+05 0.00e+00 a 0 - - - >>1894 3.720 7.291 62.584 1 T 1.164e+06 0.00e+00 a 0 - - - >>1895 3.825 7.530 62.538 1 T 7.547e+05 0.00e+00 a 0 - - - >>1896 3.839 7.302 62.539 1 T 1.135e+06 0.00e+00 a 0 - - - >>1897 3.836 3.344 62.528 1 T 1.054e+06 0.00e+00 a 0 - - - >>1898 3.835 2.974 62.636 1 T 8.135e+05 0.00e+00 a 0 - - - >>1899 3.717 2.964 62.584 1 T 7.585e+05 0.00e+00 a 0 - - - >>1900 3.837 1.990 62.553 1 T 8.839e+05 0.00e+00 a 0 - - - >>1901 3.837 1.762 62.594 1 T 8.816e+05 0.00e+00 a 0 - - - >>1903 4.467 1.715 57.690 1 T 4.391e+06 0.00e+00 a 0 - - - >>1904 4.467 1.997 57.697 1 T 5.168e+06 0.00e+00 a 0 - - - >>1905 4.461 2.744 57.620 1 T 8.986e+06 0.00e+00 a 0 - - - >>1906 4.458 1.436 57.658 1 T 1.980e+06 0.00e+00 a 0 - - - >>1907 2.973 4.471 40.418 1 T 3.695e+06 0.00e+00 a 0 - - - >>1908 2.973 4.234 40.379 1 T 3.249e+06 0.00e+00 a 0 - - - >>1909 2.973 2.733 40.467 1 T 9.961e+06 0.00e+00 a 0 - - - >>1910 4.037 1.100 65.562 1 T 4.619e+06 0.00e+00 a 0 - - - >>1911 4.038 2.112 65.560 1 T 4.310e+06 0.00e+00 a 0 - - - >>1912 4.039 2.356 65.580 1 T 3.960e+06 0.00e+00 a 0 - - - >>1913 2.355 7.229 31.287 1 T 1.422e+06 0.00e+00 a 0 - - - >>1914 2.360 4.063 31.492 1 T 6.372e+06 0.00e+00 a 0 - - - >>1915 2.358 1.574 31.460 1 T 2.394e+06 0.00e+00 a 0 - - - >>1916 2.358 1.242 31.381 1 T 7.876e+06 0.00e+00 a 0 - - - >>1917 1.090 2.121 22.078 1 T 2.337e+07 0.00e+00 a 0 - - - >>1918 1.091 1.681 22.169 1 T 9.688e+06 0.00e+00 a 0 - - - >>1919 1.097 1.559 22.190 1 T 8.458e+06 0.00e+00 a 0 - - - >>1920 1.094 1.419 22.190 1 T 7.325e+06 0.00e+00 a 0 - - - >>1921 1.100 3.446 22.208 1 T 3.355e+06 0.00e+00 a 0 - - - >>1922 1.098 3.296 22.183 1 T 6.033e+06 0.00e+00 a 0 - - - >>1923 1.096 2.988 22.230 1 T 2.013e+06 0.00e+00 a 0 - - - >>1924 1.094 4.309 22.126 1 T 3.846e+06 0.00e+00 a 0 - - - >>1925 1.095 4.078 22.214 1 T 1.288e+07 0.00e+00 a 0 - - - >>1926 1.090 3.863 22.075 1 T 1.546e+07 0.00e+00 a 0 - - - >>1927 1.099 4.533 22.184 1 T 5.204e+06 0.00e+00 a 0 - - - >>1928 1.100 7.229 22.165 1 T 5.324e+06 0.00e+00 a 0 - - - >>1929 1.096 7.007 22.229 1 T 7.565e+05 0.00e+00 a 0 - - - >>1930 1.098 7.944 22.189 1 T 1.098e+06 0.00e+00 a 0 - - - >>1931 1.100 8.814 22.043 1 T 6.018e+05 0.00e+00 a 0 - - - >>1932 1.243 9.060 23.236 1 T 9.016e+05 0.00e+00 a 0 - - - >>1933 1.241 7.950 23.126 1 T 1.242e+06 0.00e+00 a 0 - - - >>1934 1.241 7.229 23.115 1 T 4.316e+06 0.00e+00 a 0 - - - >>1935 1.241 4.530 23.100 1 T 5.086e+06 0.00e+00 a 0 - - - >>1936 1.242 4.205 23.074 1 T 6.432e+06 0.00e+00 a 0 - - - >>1937 1.241 4.052 23.088 1 T 1.259e+07 0.00e+00 a 0 - - - >>1938 1.240 3.680 23.064 1 T 1.067e+06 0.00e+00 a 0 - - - >>1939 1.242 3.433 23.098 1 T 2.283e+06 0.00e+00 a 0 - - - >>1940 1.241 3.284 23.101 1 T 5.140e+06 0.00e+00 a 0 - - - >>1941 1.241 2.973 23.077 1 T 2.712e+06 0.00e+00 a 0 - - - >>1942 1.241 2.738 23.139 1 T 1.734e+06 0.00e+00 a 0 - - - >>1943 1.241 2.356 23.109 1 T 1.385e+07 0.00e+00 a 0 - - - >>1944 1.241 2.011 23.065 1 T 9.429e+06 0.00e+00 a 0 - - - >>1945 1.241 1.718 23.096 1 T 6.881e+06 0.00e+00 a 0 - - - >>1946 1.241 1.558 23.129 1 T 1.323e+07 0.00e+00 a 0 - - - >>1947 1.240 1.397 23.114 1 T 8.668e+06 0.00e+00 a 0 - - - >>1948 1.239 0.911 23.229 1 T 4.739e+06 0.00e+00 a 0 - - - >>1949 1.241 0.784 23.122 1 T 5.825e+06 0.00e+00 a 0 - - - >>1950 3.417 4.323 29.456 1 T 1.067e+06 0.00e+00 a 0 - - - >>1951 3.356 4.326 29.443 1 T 8.743e+05 0.00e+00 a 0 - - - >>1952 3.690 0.873 60.357 1 T 1.578e+06 0.00e+00 a 0 - - - >>1953 3.693 1.094 60.315 1 T 8.318e+05 0.00e+00 a 0 - - - >>1954 3.687 1.427 60.225 1 T 3.923e+06 0.00e+00 a 0 - - - >>1955 3.687 1.681 60.246 1 T 5.575e+06 0.00e+00 a 0 - - - >>1956 3.682 2.609 60.270 1 T 9.349e+05 0.00e+00 a 0 - - - >>1957 3.689 4.481 60.330 1 T 8.679e+05 0.00e+00 a 0 - - - >>1958 3.693 6.991 60.281 1 T 7.556e+05 0.00e+00 a 0 - - - >>1960 2.004 3.698 32.184 1 T 7.108e+06 0.00e+00 a 0 - - - >>1961 1.729 0.826 29.347 1 T 7.480e+06 0.00e+00 a 0 - - - >>1962 1.714 3.689 29.364 1 T 4.203e+06 0.00e+00 a 0 - - - >>1963 1.672 3.450 29.223 1 T 1.553e+06 0.00e+00 a 0 - - - >>1964 1.715 4.469 29.324 1 T 4.570e+06 0.00e+00 a 0 - - - >>1965 1.686 6.930 29.367 1 T 1.541e+06 0.00e+00 a 0 - - - >>1966 1.658 0.876 25.329 1 T 2.707e+06 0.00e+00 a 0 - - - >>1967 1.654 1.446 25.239 1 T 1.982e+07 0.00e+00 a 0 - - - >>1968 1.656 1.977 25.086 1 T 7.718e+06 0.00e+00 a 0 - - - >>1969 1.654 2.969 25.261 1 T 5.233e+06 0.00e+00 a 0 - - - >>1970 1.657 3.691 25.127 1 T 2.749e+06 0.00e+00 a 0 - - - >>1971 1.659 4.465 25.165 1 T 1.098e+06 0.00e+00 a 0 - - - >>1972 2.105 0.905 30.051 1 T 4.054e+06 0.00e+00 a 0 - - - >>1973 2.105 1.451 30.038 1 T 5.214e+06 0.00e+00 a 0 - - - >>1974 2.105 3.275 30.078 1 T 4.531e+06 0.00e+00 a 0 - - - >>1975 2.157 3.845 36.116 1 T 2.002e+06 0.00e+00 a 0 - - - >>1976 2.150 4.064 36.142 1 T 5.960e+06 0.00e+00 a 0 - - - >>1977 2.154 2.349 36.101 1 T 1.846e+07 0.00e+00 a 0 - - - >>1978 2.154 1.443 36.135 1 T 3.679e+06 0.00e+00 a 0 - - - >>1979 2.154 1.668 36.147 1 T 2.007e+06 0.00e+00 a 0 - - - >>1980 2.154 0.746 36.125 1 T 2.815e+06 0.00e+00 a 0 - - - >>1981 2.353 0.743 36.098 1 T 2.411e+06 0.00e+00 a 0 - - - >>1982 2.350 0.858 36.173 1 T 1.707e+06 0.00e+00 a 0 - - - >>1983 2.352 1.103 36.048 1 T 7.388e+05 0.00e+00 a 0 - - - >>1984 2.368 1.257 36.174 1 T 1.569e+06 0.00e+00 a 0 - - - >>1985 2.351 1.447 36.146 1 T 2.322e+06 0.00e+00 a 0 - - - >>1987 2.350 1.685 36.153 1 T 1.758e+06 0.00e+00 a 0 - - - >>1988 2.358 2.135 36.102 1 T 3.268e+07 0.00e+00 a 0 - - - >>1989 2.353 4.060 36.142 1 T 6.164e+06 0.00e+00 a 0 - - - >>1990 3.780 4.315 57.834 1 T 7.737e+05 0.00e+00 a 0 - - - >>1991 3.782 1.441 57.752 1 T 4.248e+06 0.00e+00 a 0 - - - >>1992 3.782 1.313 57.712 1 T 3.113e+06 0.00e+00 a 0 - - - >>1993 3.780 0.714 57.763 1 T 5.262e+06 0.00e+00 a 0 - - - >>1994 3.783 1.091 57.738 1 T 9.113e+05 0.00e+00 a 0 - - - >>1995 1.334 4.309 42.209 1 T 7.401e+05 0.00e+00 a 0 - - - >>1996 1.329 3.772 42.351 1 T 1.318e+06 0.00e+00 a 0 - - - >>1997 1.321 0.611 42.270 1 T 1.977e+06 0.00e+00 a 0 - - - >>1998 1.428 0.697 42.180 1 T 2.362e+06 0.00e+00 a 0 - - - >>1999 1.434 0.605 42.184 1 T 2.073e+06 0.00e+00 a 0 - - - >>2000 1.435 1.100 42.269 1 T 8.928e+05 0.00e+00 a 0 - - - >>2001 1.434 1.328 42.173 1 T 2.920e+06 0.00e+00 a 0 - - - >>2002 1.430 2.071 42.182 1 T 7.775e+05 0.00e+00 a 0 - - - >>2003 1.429 3.804 42.261 1 T 9.295e+05 0.00e+00 a 0 - - - >>2004 1.441 4.307 42.169 1 T 1.437e+06 0.00e+00 a 0 - - - >>2005 1.429 7.007 42.258 1 T 6.034e+05 0.00e+00 a 0 - - - >>2006 0.589 6.700 25.724 1 T 1.697e+06 0.00e+00 a 0 - - - >>2007 0.589 7.015 25.761 1 T 2.723e+06 0.00e+00 a 0 - - - >>2008 0.590 7.227 25.752 1 T 2.874e+06 0.00e+00 a 0 - - - >>2009 0.589 4.528 25.689 1 T 1.088e+06 0.00e+00 a 0 - - - >>2010 0.589 4.321 25.715 1 T 1.994e+06 0.00e+00 a 0 - - - >>2011 0.590 4.125 25.766 1 T 3.353e+06 0.00e+00 a 0 - - - >>2012 0.590 3.782 25.736 1 T 3.059e+06 0.00e+00 a 0 - - - >>2013 0.590 3.435 25.731 1 T 2.544e+06 0.00e+00 a 0 - - - >>2014 0.590 3.307 25.737 1 T 3.082e+06 0.00e+00 a 0 - - - >>2015 0.589 2.781 25.703 1 T 1.057e+06 0.00e+00 a 0 - - - >>2016 0.588 2.918 25.714 1 T 5.422e+05 0.00e+00 a 0 - - - >>2017 0.590 2.390 25.709 1 T 1.984e+06 0.00e+00 a 0 - - - >>2018 0.590 2.055 25.742 1 T 3.739e+06 0.00e+00 a 0 - - - >>2019 0.591 1.829 25.761 1 T 2.303e+06 0.00e+00 a 0 - - - >>2020 0.590 1.671 25.772 1 T 2.657e+06 0.00e+00 a 0 - - - >>2021 0.590 1.434 25.735 1 T 8.126e+06 0.00e+00 a 0 - - - >>2022 0.590 1.279 25.746 1 T 9.247e+06 0.00e+00 a 0 - - - >>2023 0.590 1.070 25.724 1 T 6.544e+06 0.00e+00 a 0 - - - >>2024 0.590 0.902 25.709 1 T 9.130e+06 0.00e+00 a 0 - - - >>2025 0.696 -0.078 24.583 1 T 7.275e+05 0.00e+00 a 0 - - - >>2026 0.698 1.064 24.609 1 T 5.558e+06 0.00e+00 a 0 - - - >>2027 0.698 1.278 24.607 1 T 9.582e+06 0.00e+00 a 0 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0 - - - >>2045 3.292 2.081 61.589 1 T 9.230e+05 0.00e+00 a 0 - - - >>2046 3.299 1.846 61.563 1 T 8.857e+05 0.00e+00 a 0 - - - >>2047 3.284 1.391 61.546 1 T 8.349e+05 0.00e+00 a 0 - - - >>2048 3.298 0.893 61.563 1 T 1.286e+06 0.00e+00 a 0 - - - >>2049 3.283 1.082 61.597 1 T 7.119e+05 0.00e+00 a 0 - - - >>2050 3.291 0.696 61.587 1 T 1.952e+06 0.00e+00 a 0 - - - >>2051 3.014 0.898 61.730 1 T 1.235e+06 0.00e+00 a 0 - - - >>2054 3.017 2.602 61.754 1 T 4.604e+06 0.00e+00 a 0 - - - >>2055 3.020 3.290 61.750 1 T 2.401e+06 0.00e+00 a 0 - - - >>2056 2.607 3.019 61.728 1 T 4.094e+06 0.00e+00 a 0 - - - >>2057 2.607 3.297 61.679 1 T 2.196e+06 0.00e+00 a 0 - - - >>2059 2.615 0.907 61.646 1 T 8.739e+05 0.00e+00 a 0 - - - >>2060 2.615 0.716 61.655 1 T 6.233e+05 0.00e+00 a 0 - - - >>2061 1.668 4.077 41.771 1 T 9.094e+06 0.00e+00 a 0 - - - >>2062 4.130 0.897 57.559 1 T 1.716e+07 0.00e+00 a 0 - - - >>2063 1.868 3.778 42.963 1 T 9.202e+05 0.00e+00 a 0 - - - >>2064 1.336 0.824 43.006 1 T 2.926e+06 0.00e+00 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a 0 - - - >>2486 4.164 2.151 56.814 1 T 1.335e+07 0.00e+00 a 0 - - - >>2487 2.587 7.330 34.066 1 T 7.591e+05 0.00e+00 a 0 - - - >>2488 4.388 7.133 56.020 1 T 8.937e+05 0.00e+00 a 0 - - - >>2489 4.388 2.155 55.901 1 T 1.220e+07 0.00e+00 a 0 - - - >>2491 2.192 4.390 32.637 1 T 5.124e+06 0.00e+00 a 0 - - - >>2492 2.217 2.749 32.332 1 T 6.345e+06 0.00e+00 a 0 - - - >>2493 2.651 1.694 32.132 1 T 1.598e+06 0.00e+00 a 0 - - - >>2494 2.724 4.378 32.187 1 T 3.821e+06 0.00e+00 a 0 - - - >>2495 2.725 2.152 32.232 1 T 9.946e+06 0.00e+00 a 0 - - - >>2496 2.724 1.701 32.120 1 T 1.543e+06 0.00e+00 a 0 - - - >>2497 2.738 0.917 32.206 1 T 9.132e+05 0.00e+00 a 0 - - - >>2498 1.529 4.298 42.186 1 T 6.248e+06 0.00e+00 a 0 - - - >>2499 1.529 1.649 42.168 1 T 2.537e+07 0.00e+00 a 0 - - - >>2500 1.640 4.296 42.164 1 T 5.497e+06 0.00e+00 a 0 - - - >>2501 0.903 5.008 23.359 1 T 7.385e+05 0.00e+00 a 0 - - - >>2502 0.898 4.298 23.376 1 T 2.228e+07 0.00e+00 a 0 - - - >>2503 0.848 4.094 23.358 1 T 1.347e+07 0.00e+00 a 0 - - - >>2504 0.850 3.442 23.420 1 T 2.936e+06 0.00e+00 a 0 - - - >>2505 0.848 2.520 23.401 1 T 4.292e+06 0.00e+00 a 0 - - - >>2506 0.847 2.367 23.439 1 T 5.152e+06 0.00e+00 a 0 - - - >>2507 0.898 1.538 23.519 1 T 1.799e+07 0.00e+00 a 0 - - - >>2508 0.848 1.458 23.384 1 T 1.391e+07 0.00e+00 a 0 - - - >>2509 0.849 1.262 23.356 1 T 5.783e+06 0.00e+00 a 0 - - - >>2510 0.932 1.707 25.215 1 T 3.260e+07 0.00e+00 a 0 - - - >>2511 0.937 1.379 25.177 1 T 5.452e+06 0.00e+00 a 0 - - - >>2512 0.931 6.951 25.228 1 T 2.703e+06 0.00e+00 a 0 - - - >>2513 1.753 0.555 26.815 1 T 5.635e+05 0.00e+00 a 0 - - - >>2514 1.647 0.403 26.648 1 T 1.170e+06 0.00e+00 a 0 - - - >>2515 4.264 1.805 56.090 1 T 1.634e+07 0.00e+00 a 0 - - - >>2516 4.247 2.220 56.180 1 T 1.465e+07 0.00e+00 a 0 - - - >>2517 4.260 3.995 56.110 1 T 3.414e+06 0.00e+00 a 0 - - - >>2518 1.772 4.265 30.702 1 T 6.582e+06 0.00e+00 a 0 - - - >>2519 1.766 3.193 30.751 1 T 5.823e+06 0.00e+00 a 0 - - - >>2521 1.827 3.206 30.746 1 T 7.754e+06 0.00e+00 a 0 - - - >>2522 1.829 4.266 30.733 1 T 6.858e+06 0.00e+00 a 0 - - - >>2524 3.200 4.399 43.259 1 T 6.579e+06 0.00e+00 a 0 - - - >>2525 3.201 7.290 43.354 1 T 8.208e+05 0.00e+00 a 0 - - - >>2526 3.188 7.150 43.241 1 T 1.181e+06 0.00e+00 a 0 - - - >>2527 1.643 3.204 27.109 1 T 2.455e+07 0.00e+00 a 0 - - - >>2528 1.642 4.273 27.075 1 T 6.053e+06 0.00e+00 a 0 - - - >>2529 4.388 3.200 55.750 1 T 4.117e+06 0.00e+00 a 0 - - - >>2530 4.384 2.660 55.717 1 T 1.338e+07 0.00e+00 a 0 - - - >>2531 4.389 1.913 55.757 1 T 1.215e+07 0.00e+00 a 0 - - - >>2532 4.388 1.737 55.753 1 T 9.549e+06 0.00e+00 a 0 - - - >>2533 4.390 1.649 55.764 1 T 1.085e+07 0.00e+00 a 0 - - - >>2534 4.383 0.912 55.703 1 T 1.523e+06 0.00e+00 a 0 - - - >>2535 1.747 1.901 30.901 1 T 4.154e+07 0.00e+00 a 0 - - - >>2536 1.916 1.750 30.893 1 T 4.505e+07 0.00e+00 a 0 - - - >>2538 3.214 4.167 43.249 1 T 6.926e+06 0.00e+00 a 0 - - - >>2539 3.207 3.635 43.266 1 T 2.783e+06 0.00e+00 a 0 - - - >>2540 3.195 3.443 43.293 1 T 7.521e+06 0.00e+00 a 0 - - - >>2541 2.595 4.381 42.143 1 T 3.950e+06 0.00e+00 a 0 - - - >>2542 2.669 4.382 42.165 1 T 4.092e+06 0.00e+00 a 0 - - - >>2543 1.285 0.856 24.789 1 T 2.325e+06 0.00e+00 a 0 - - - >>2544 1.535 1.084 27.612 1 T 1.831e+06 0.00e+00 a 0 - - - >>2545 2.046 0.799 30.385 1 T 2.479e+06 0.00e+00 a 0 - - - >>2546 1.057 7.636 26.465 1 T 8.627e+05 0.00e+00 a 0 - - - >>2547 0.847 0.387 23.308 1 T 2.910e+06 0.00e+00 a 0 - - - >>2548 0.848 0.586 23.414 1 T 4.754e+06 0.00e+00 a 0 - - - >>2549 0.848 2.930 23.413 1 T 3.451e+06 0.00e+00 a 0 - - - >>2550 0.848 3.264 23.524 1 T 1.861e+06 0.00e+00 a 0 - - - >>2551 0.850 3.618 23.423 1 T 2.655e+06 0.00e+00 a 0 - - - >>2552 0.847 4.456 23.520 1 T 1.709e+06 0.00e+00 a 0 - - - >>2553 0.853 6.922 23.434 1 T 1.344e+06 0.00e+00 a 0 - - - >>2554 0.848 8.176 23.468 1 T 7.056e+05 0.00e+00 a 0 - - - >>2555 0.850 8.627 23.429 1 T 2.370e+06 0.00e+00 a 0 - - - >>2556 2.965 5.265 41.476 1 T 6.126e+05 0.00e+00 a 0 - - - >>2557 4.157 4.317 59.655 1 T 9.617e+06 0.00e+00 a 0 - - - >>2558 4.156 2.102 59.557 1 T 2.093e+07 0.00e+00 a 0 - - - >>2559 4.155 1.238 59.666 1 T 4.049e+06 0.00e+00 a 0 - - - >>2560 4.148 0.407 59.506 1 T 1.083e+06 0.00e+00 a 0 - - - >>2561 4.176 0.401 59.516 1 T 1.064e+06 0.00e+00 a 0 - - - >>2562 2.300 2.100 36.341 1 T 4.738e+07 0.00e+00 a 0 - - - >>2563 2.299 1.266 36.266 1 T 1.740e+06 0.00e+00 a 0 - - - >>2564 2.387 4.152 36.281 1 T 5.887e+06 0.00e+00 a 0 - - - >>2565 3.043 3.895 37.718 1 T 8.693e+05 0.00e+00 a 0 - - - >>2566 3.034 4.598 37.700 1 T 1.625e+06 0.00e+00 a 0 - - - >>2568 3.044 7.497 37.548 1 T 5.659e+05 0.00e+00 a 0 - - - >>2570 0.881 1.445 24.227 1 T 1.517e+07 0.00e+00 a 0 - - - >>2571 0.878 0.726 24.271 1 T 3.734e+07 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 . . . 4.84 . . 34526 1 >> 2 . . H 1 H . . 11.992 ppm . . . 4.84 . . 34526 1 >> 3 . . C 13 C-aliphatic . . 66.084 ppm . . . 43.8 . . 34526 1 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_2 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-13C NOESY aromatic' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H H 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_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_2 >> _Spectral_peak_list.Entry_ID 34526 >> _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 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 >> 67 6.924 4.571 118.616 1 T 1.366e+06 0.00e+00 a 0 - - - >> 68 6.924 4.428 118.584 1 T 1.445e+06 0.00e+00 a 0 - - - >> 69 6.927 4.116 118.630 1 T 5.678e+05 0.00e+00 a 0 - - - >> 70 6.925 3.265 118.588 1 T 2.848e+06 0.00e+00 a 0 - - - >> 71 6.926 2.905 118.526 1 T 2.106e+06 0.00e+00 a 0 - - - >> 72 6.925 2.058 118.537 1 T 1.282e+06 0.00e+00 a 0 - - - >> 73 6.925 1.896 118.540 1 T 9.890e+05 0.00e+00 a 0 - - - >> 74 6.929 1.685 118.493 1 T 2.472e+06 0.00e+00 a 0 - - - >> 75 6.928 1.431 118.473 1 T 1.366e+06 0.00e+00 a 0 - - - >> 76 6.930 1.276 118.505 1 T 1.377e+06 0.00e+00 a 0 - - - >> 77 6.928 0.853 118.532 1 T 2.488e+06 0.00e+00 a 0 - - - >> 78 7.891 1.681 138.101 1 T 5.051e+05 0.00e+00 a 0 - - - >> 79 7.897 1.855 138.123 1 T 7.978e+05 0.00e+00 a 0 - - - >> 80 7.893 3.125 138.004 1 T 9.321e+05 0.00e+00 a 0 - - - >> 81 6.832 3.177 121.650 1 T 1.540e+06 0.00e+00 a 0 - - - >> 82 6.830 3.473 121.591 1 T 5.773e+05 0.00e+00 a 0 - - - >> 83 6.832 3.931 121.692 1 T 1.095e+06 0.00e+00 a 0 - - - >> 85 6.834 1.957 121.595 1 T 8.676e+05 0.00e+00 a 0 - - - >> 86 6.831 1.553 121.599 1 T 1.385e+06 0.00e+00 a 0 - - - >> 87 6.830 0.428 121.619 1 T 1.092e+06 0.00e+00 a 0 - - - >> 88 6.828 0.291 121.671 1 T 1.254e+06 0.00e+00 a 0 - - - >> 89 7.640 1.957 137.908 1 T 2.964e+06 0.00e+00 a 0 - - - >> 90 7.637 0.415 137.822 1 T 1.108e+06 0.00e+00 a 0 - - - >> 91 7.636 0.287 137.890 1 T 1.487e+06 0.00e+00 a 0 - - - >> 92 7.640 7.882 138.019 1 T 1.179e+06 0.00e+00 a 0 - - - >> 94 7.277 6.948 134.035 1 T 7.092e+06 0.00e+00 a 0 - - - >> 95 7.278 4.982 134.078 1 T 2.332e+06 0.00e+00 a 0 - - - >> 96 7.284 2.968 134.133 1 T 8.876e+05 0.00e+00 a 0 - - - >> 97 7.279 2.835 133.997 1 T 1.989e+06 0.00e+00 a 0 - - - >> 98 7.276 3.275 134.050 1 T 1.957e+06 0.00e+00 a 0 - - - >> 99 7.273 1.615 134.038 1 T 1.013e+06 0.00e+00 a 0 - - - >> 101 7.275 1.306 133.927 1 T 7.487e+05 0.00e+00 a 0 - - - >> 102 7.278 1.098 134.006 1 T 7.035e+05 0.00e+00 a 0 - - - >> 103 7.278 0.901 134.000 1 T 2.499e+06 0.00e+00 a 0 - - - >> 104 7.271 0.424 134.030 1 T 6.301e+05 0.00e+00 a 0 - - - >> 105 6.983 3.925 119.432 1 T 1.148e+06 0.00e+00 a 0 - - - >> 106 6.984 3.186 119.404 1 T 2.339e+06 0.00e+00 a 0 - - - >> 107 6.987 1.531 119.315 1 T 1.043e+06 0.00e+00 a 0 - - - >> 108 6.984 0.295 119.438 1 T 9.902e+05 0.00e+00 a 0 - - - >> 109 7.819 6.939 138.690 1 T 5.447e+05 0.00e+00 a 0 - - - >> 110 7.821 4.435 138.630 1 T 4.975e+05 0.00e+00 a 0 - - - >> 111 7.820 4.087 138.718 1 T 4.355e+05 0.00e+00 a 0 - - - >> 112 7.822 3.296 138.710 1 T 4.341e+05 0.00e+00 a 0 - - - >> 113 7.818 2.910 138.745 1 T 1.021e+06 0.00e+00 a 0 - - - >> 114 7.823 2.070 138.685 1 T 8.358e+05 0.00e+00 a 0 - - - >> 115 7.822 1.893 138.757 1 T 4.898e+05 0.00e+00 a 0 - - - >> 116 7.822 2.247 138.691 1 T 1.046e+06 0.00e+00 a 0 - - - >> 117 7.818 1.696 138.695 1 T 7.893e+05 0.00e+00 a 0 - - - >> 118 7.823 1.660 138.707 1 T 8.772e+05 0.00e+00 a 0 - - - >> 119 7.822 0.825 138.726 1 T 1.234e+06 0.00e+00 a 0 - - - >> 120 7.234 4.138 131.147 1 T 7.186e+05 0.00e+00 a 0 - - - >> 121 7.243 4.070 131.323 1 T 7.154e+05 0.00e+00 a 0 - - - >> 123 7.243 3.426 131.181 1 T 1.024e+06 0.00e+00 a 0 - - - >> 124 6.813 4.737 130.511 1 T 8.450e+05 0.00e+00 a 0 - - - >> 125 6.803 3.351 130.461 1 T 7.867e+05 0.00e+00 a 0 - - - >> 127 6.800 3.812 130.414 1 T 5.517e+05 0.00e+00 a 0 - - - >> 128 6.805 1.597 130.450 1 T 5.010e+05 0.00e+00 a 0 - - - >> 129 7.052 4.252 132.330 1 T 1.715e+06 0.00e+00 a 0 - - - >> 130 7.059 3.646 132.389 1 T 7.163e+05 0.00e+00 a 0 - - - >> 131 7.055 3.414 132.202 1 T 1.431e+06 0.00e+00 a 0 - - - >> 132 7.057 3.115 132.214 1 T 1.801e+06 0.00e+00 a 0 - - - >> 133 7.052 1.722 132.204 1 T 1.206e+06 0.00e+00 a 0 - - - >> 134 7.051 0.766 132.307 1 T 1.795e+06 0.00e+00 a 0 - - - >> 135 7.052 0.417 132.223 1 T 9.476e+05 0.00e+00 a 0 - - - >> 136 7.051 -0.252 132.382 1 T 5.932e+05 0.00e+00 a 0 - - - >> 137 7.130 3.908 131.579 1 T 8.203e+05 0.00e+00 a 0 - - - >> 138 7.164 3.952 131.660 1 T 4.015e+05 0.00e+00 a 0 - - - >> 139 7.127 2.643 131.761 1 T 9.035e+05 0.00e+00 a 0 - - - >> 140 7.134 -0.228 131.343 1 T 1.050e+06 0.00e+00 a 0 - - - >> 141 6.943 4.322 126.527 1 T 1.065e+06 0.00e+00 a 0 - - - >> 142 6.944 3.349 126.531 1 T 2.128e+06 0.00e+00 a 0 - - - >> 143 6.945 3.696 126.433 1 T 9.712e+05 0.00e+00 a 0 - - - >> 145 6.944 3.830 126.560 1 T 8.370e+05 0.00e+00 a 0 - - - >> 147 6.940 0.807 126.595 1 T 1.226e+06 0.00e+00 a 0 - - - >> 148 6.947 -0.080 126.595 1 T 8.164e+05 0.00e+00 a 0 - - - >> 151 7.022 6.717 120.739 1 T 1.071e+06 0.00e+00 a 0 - - - >> 152 7.016 7.370 124.758 1 T 2.533e+06 0.00e+00 a 0 - - - >> 153 7.015 6.697 124.690 1 T 1.921e+06 0.00e+00 a 0 - - - >> 154 7.007 3.903 124.792 1 T 7.431e+05 0.00e+00 a 0 - - - >> 155 7.015 2.169 124.726 1 T 1.385e+06 0.00e+00 a 0 - - - >> 156 7.010 0.904 124.737 1 T 1.420e+06 0.00e+00 a 0 - - - >> 157 7.013 1.077 124.721 1 T 6.080e+05 0.00e+00 a 0 - - - >> 159 7.005 0.695 124.962 1 T 7.615e+05 0.00e+00 a 0 - - - >> 160 7.375 6.702 114.262 1 T 7.715e+05 0.00e+00 a 0 - - - >> 161 7.373 7.015 114.272 1 T 3.427e+06 0.00e+00 a 0 - - - >> 162 7.381 4.115 114.390 1 T 6.214e+05 0.00e+00 a 0 - - - >> 163 7.377 3.882 114.205 1 T 5.834e+05 0.00e+00 a 0 - - - >> 164 7.372 3.632 114.314 1 T 5.153e+05 0.00e+00 a 0 - - - >> 165 7.375 2.091 114.269 1 T 1.405e+06 0.00e+00 a 0 - - - >> 167 7.372 1.860 114.304 1 T 7.181e+05 0.00e+00 a 0 - - - >> 168 7.371 0.712 114.258 1 T 7.239e+05 0.00e+00 a 0 - - - >> 169 7.371 0.898 114.143 1 T 1.979e+06 0.00e+00 a 0 - - - >> 170 7.361 1.100 114.150 1 T 5.800e+05 0.00e+00 a 0 - - - >> 171 7.374 -0.077 114.358 1 T 7.045e+05 0.00e+00 a 0 - - - >> 172 6.700 7.011 121.971 1 T 2.101e+06 0.00e+00 a 0 - - - >> 173 6.701 7.372 122.014 1 T 6.777e+05 0.00e+00 a 0 - - - >> 174 6.704 1.051 122.135 1 T 7.995e+05 0.00e+00 a 0 - - - >> 175 6.693 0.676 122.020 1 T 7.268e+05 0.00e+00 a 0 - - - >> 176 6.705 0.931 121.910 1 T 8.542e+05 0.00e+00 a 0 - - - >> 177 7.018 3.638 124.427 1 T 7.839e+05 0.00e+00 a 0 - - - >> 178 7.022 3.187 124.133 1 T 9.652e+05 0.00e+00 a 0 - - - >> 179 7.545 7.311 121.766 1 T 8.128e+05 0.00e+00 a 0 - - - >> 180 6.829 7.304 123.103 1 T 1.444e+06 0.00e+00 a 0 - - - >> 181 6.826 0.799 123.185 1 T 1.115e+06 0.00e+00 a 0 - - - >> 182 7.309 6.838 113.820 1 T 1.437e+06 0.00e+00 a 0 - - - >> 183 7.297 2.230 113.923 1 T 6.855e+05 0.00e+00 a 0 - - - >> 184 7.297 1.326 113.960 1 T 5.945e+05 0.00e+00 a 0 - - - >> 185 7.302 0.838 113.795 1 T 1.197e+06 0.00e+00 a 0 - - - >> 186 7.320 -0.083 113.961 1 T 6.861e+05 0.00e+00 a 0 - - - >> 187 7.321 7.135 132.355 1 T 7.731e+06 0.00e+00 a 0 - - - >> 188 7.319 4.419 132.367 1 T 2.251e+06 0.00e+00 a 0 - - - >> 189 7.321 3.382 132.378 1 T 2.060e+06 0.00e+00 a 0 - - - >> 190 7.319 3.129 132.365 1 T 2.191e+06 0.00e+00 a 0 - - - >> 191 7.318 2.845 132.331 1 T 5.926e+05 0.00e+00 a 0 - - - >> 193 7.316 2.559 132.489 1 T 7.098e+05 0.00e+00 a 0 - - - >> 194 7.323 2.129 132.422 1 T 8.309e+05 0.00e+00 a 0 - - - >> 195 7.323 1.677 132.331 1 T 1.085e+06 0.00e+00 a 0 - - - >> 196 7.320 0.918 132.344 1 T 1.232e+06 0.00e+00 a 0 - - - >> 197 7.322 0.404 132.352 1 T 1.988e+06 0.00e+00 a 0 - - - >> 199 7.131 7.311 131.348 1 T 5.505e+06 0.00e+00 a 0 - - - >> 200 7.137 5.120 131.562 1 T 9.039e+05 0.00e+00 a 0 - - - >> 201 7.138 4.195 131.250 1 T 8.930e+05 0.00e+00 a 0 - - - >> 202 7.126 3.975 131.291 1 T 8.436e+05 0.00e+00 a 0 - - - >> 203 7.130 3.118 131.325 1 T 1.564e+06 0.00e+00 a 0 - - - >> 204 7.140 2.447 131.322 1 T 8.395e+05 0.00e+00 a 0 - - - >> 206 7.132 1.660 131.301 1 T 1.360e+06 0.00e+00 a 0 - - - >> 207 7.129 0.884 131.315 1 T 1.412e+06 0.00e+00 a 0 - - - >> 208 7.131 0.425 131.301 1 T 1.605e+06 0.00e+00 a 0 - - - >> 209 7.111 -0.238 131.271 1 T 9.503e+05 0.00e+00 a 0 - - - >> 210 6.946 7.276 118.236 1 T 9.582e+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 . . . 4.84 . . 34526 2 >> 2 . . H 1 H . . 11.992 ppm . . . 4.84 . . 34526 2 >> 3 . . C 13 C-aromatic . . 30.009 ppm . . . 127.0 . . 34526 2 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_3 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-15N NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H HN 2 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_3 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_3 >> _Spectral_peak_list.Entry_ID 34526 >> _Spectral_peak_list.ID 3 >> _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 12 >> _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 >> 66 7.939 4.859 122.018 1 T 2.559e+06 0.00e+00 a 0 - - - >> 67 7.940 8.426 122.016 1 T 9.212e+05 0.00e+00 a 0 - - - >> 68 7.962 8.654 122.192 1 T 1.260e+06 0.00e+00 a 0 - - - >> 69 7.962 8.188 122.200 1 T 3.982e+06 0.00e+00 a 0 - - - >> 70 7.941 4.079 122.050 1 T 3.775e+06 0.00e+00 a 0 - - - >> 71 7.938 3.965 122.044 1 T 2.529e+06 0.00e+00 a 0 - - - >> 72 7.940 2.080 122.041 1 T 5.825e+06 0.00e+00 a 0 - - - >> 73 7.943 2.270 122.079 1 T 3.234e+06 0.00e+00 a 0 - - - >> 74 7.962 1.570 122.206 1 T 1.430e+07 0.00e+00 a 0 - - - >> 75 7.962 1.245 122.157 1 T 1.720e+06 0.00e+00 a 0 - - - >> 76 7.962 1.093 122.206 1 T 1.526e+06 0.00e+00 a 0 - - - >> 77 7.962 0.803 122.184 1 T 1.356e+06 0.00e+00 a 0 - - - >> 78 7.958 0.565 122.206 1 T 7.208e+05 0.00e+00 a 0 - - - >> 79 8.453 0.880 118.842 1 T 2.926e+06 0.00e+00 a 0 - - - >> 80 8.452 0.728 118.943 1 T 4.268e+06 0.00e+00 a 0 - - - >> 81 8.434 2.855 118.828 1 T 8.320e+05 0.00e+00 a 0 - - - >> 82 8.452 2.993 119.053 1 T 9.750e+05 0.00e+00 a 0 - - - >> 83 8.427 2.978 118.995 1 T 1.102e+06 0.00e+00 a 0 - - - >> 84 8.447 3.311 118.940 1 T 1.280e+06 0.00e+00 a 0 - - - >> 85 8.437 4.594 118.758 1 T 1.075e+06 0.00e+00 a 0 - - - >> 86 8.454 3.885 118.809 1 T 2.802e+06 0.00e+00 a 0 - - - >> 87 6.932 4.861 112.064 1 T 8.483e+06 0.00e+00 a 0 - - - >> 88 6.930 4.614 111.923 1 T 1.157e+06 0.00e+00 a 0 - - - >> 89 6.931 4.457 111.988 1 T 1.141e+06 0.00e+00 a 0 - - - >> 90 6.940 4.279 112.066 1 T 1.310e+06 0.00e+00 a 0 - - - >> 91 6.933 4.130 112.022 1 T 9.157e+05 0.00e+00 a 0 - - - >> 92 6.941 3.906 112.128 1 T 9.860e+05 0.00e+00 a 0 - - - >> 93 6.977 2.885 111.812 1 T 3.105e+06 0.00e+00 a 0 - - - >> 94 6.934 2.865 111.852 1 T 2.635e+06 0.00e+00 a 0 - - - >> 95 6.936 2.477 112.164 1 T 4.981e+06 0.00e+00 a 0 - - - >> 96 6.938 2.194 112.105 1 T 2.117e+06 0.00e+00 a 0 - - - >> 97 6.941 2.116 112.029 1 T 2.243e+06 0.00e+00 a 0 - - - >> 98 6.943 1.844 111.977 1 T 9.394e+05 0.00e+00 a 0 - - - >> 99 6.939 1.702 112.008 1 T 8.060e+05 0.00e+00 a 0 - - - >> 100 6.939 1.547 112.223 1 T 6.812e+05 0.00e+00 a 0 - - - >> 101 6.932 1.454 112.144 1 T 6.954e+05 0.00e+00 a 0 - - - >> 102 6.944 0.903 112.073 1 T 1.566e+06 0.00e+00 a 0 - - - >> 103 7.713 1.725 111.861 1 T 8.383e+05 0.00e+00 a 0 - - - >> 104 7.675 1.254 111.748 1 T 3.301e+06 0.00e+00 a 0 - - - >> 105 7.706 2.488 111.820 1 T 3.979e+06 0.00e+00 a 0 - - - >> 107 7.707 2.200 111.836 1 T 1.995e+06 0.00e+00 a 0 - - - >> 108 7.709 2.077 111.793 1 T 1.677e+06 0.00e+00 a 0 - - - >> 109 7.711 2.950 111.785 1 T 3.085e+06 0.00e+00 a 0 - - - >> 110 7.710 4.458 111.710 1 T 9.971e+05 0.00e+00 a 0 - - - >> 111 7.713 4.608 111.854 1 T 1.132e+06 0.00e+00 a 0 - - - >> 112 7.709 4.862 111.814 1 T 5.541e+06 0.00e+00 a 0 - - - >> 113 7.707 6.635 111.905 1 T 1.170e+06 0.00e+00 a 0 - - - >> 114 7.706 6.880 111.855 1 T 7.550e+07 0.00e+00 a 0 - - - >> 116 8.189 7.771 120.621 1 T 3.142e+06 0.00e+00 a 0 - - - >> 117 8.186 4.105 120.544 1 T 3.960e+06 0.00e+00 a 0 - - - >> 118 8.189 2.954 120.628 1 T 2.007e+06 0.00e+00 a 0 - - - >> 119 8.189 2.881 120.624 1 T 1.793e+06 0.00e+00 a 0 - - - >> 120 8.190 1.758 120.617 1 T 7.911e+06 0.00e+00 a 0 - - - >> 121 7.777 0.985 118.115 1 T 1.715e+06 0.00e+00 a 0 - - - >> 122 7.774 0.779 118.062 1 T 9.705e+05 0.00e+00 a 0 - - - >> 123 7.777 1.893 118.136 1 T 1.107e+07 0.00e+00 a 0 - - - >> 124 7.777 1.762 118.133 1 T 5.309e+06 0.00e+00 a 0 - - - >> 125 7.777 1.503 118.144 1 T 2.305e+06 0.00e+00 a 0 - - - >> 126 7.771 2.971 118.166 1 T 8.047e+05 0.00e+00 a 0 - - - >> 127 7.778 3.257 118.069 1 T 9.564e+05 0.00e+00 a 0 - - - >> 128 7.818 4.863 118.147 1 T 1.888e+06 0.00e+00 a 0 - - - >> 129 7.785 4.861 118.157 1 T 1.440e+06 0.00e+00 a 0 - - - >> 130 7.779 4.597 118.068 1 T 5.283e+05 0.00e+00 a 0 - - - >> 131 7.815 4.400 118.137 1 T 2.712e+06 0.00e+00 a 0 - - - >> 132 7.817 4.173 118.113 1 T 2.478e+06 0.00e+00 a 0 - - - >> 133 7.776 3.995 118.133 1 T 4.226e+06 0.00e+00 a 0 - - - >> 134 7.777 8.174 118.119 1 T 3.937e+06 0.00e+00 a 0 - - - >> 135 7.777 7.951 118.158 1 T 1.447e+06 0.00e+00 a 0 - - - >> 136 8.110 4.442 118.818 1 T 1.789e+06 0.00e+00 a 0 - - - >> 137 8.110 3.264 118.807 1 T 2.538e+06 0.00e+00 a 0 - - - >> 138 8.059 2.131 118.978 1 T 7.585e+06 0.00e+00 a 0 - - - >> 139 7.981 1.056 120.259 1 T 2.962e+06 0.00e+00 a 0 - - - >> 141 7.980 0.881 120.264 1 T 3.054e+06 0.00e+00 a 0 - - - >> 142 7.980 3.259 120.307 1 T 2.422e+06 0.00e+00 a 0 - - - >> 143 7.979 3.427 120.193 1 T 2.014e+06 0.00e+00 a 0 - - - >> 144 7.984 7.725 119.677 1 T 3.725e+06 0.00e+00 a 0 - - - >> 145 7.985 8.315 119.853 1 T 1.223e+06 0.00e+00 a 0 - - - >> 146 7.987 9.068 119.705 1 T 2.360e+06 0.00e+00 a 0 - - - >> 147 8.150 4.847 119.802 1 T 1.370e+06 0.00e+00 a 0 - - - >> 148 8.137 4.122 119.405 1 T 6.736e+06 0.00e+00 a 0 - - - >> 150 8.142 3.976 119.655 1 T 3.018e+06 0.00e+00 a 0 - - - >> 167 8.290 3.911 115.461 1 T 3.254e+06 0.00e+00 a 0 - - - >> 168 8.294 4.240 115.390 1 T 3.933e+06 0.00e+00 a 0 - - - >> 169 8.291 4.436 115.431 1 T 1.305e+06 0.00e+00 a 0 - - - >> 171 8.293 8.123 115.424 1 T 4.418e+06 0.00e+00 a 0 - - - >> 172 8.303 4.856 115.413 1 T 8.284e+05 0.00e+00 a 0 - - - >> 173 8.293 3.583 115.379 1 T 9.219e+05 0.00e+00 a 0 - - - >> 174 8.291 2.399 115.552 1 T 7.311e+05 0.00e+00 a 0 - - - >> 175 8.295 1.872 115.393 1 T 3.171e+06 0.00e+00 a 0 - - - >> 176 8.292 1.257 115.435 1 T 2.958e+06 0.00e+00 a 0 - - - >> 177 8.294 0.918 115.447 1 T 3.208e+06 0.00e+00 a 0 - - - >> 178 8.295 0.792 115.449 1 T 1.898e+06 0.00e+00 a 0 - - - >> 179 8.109 0.391 122.328 1 T 8.153e+05 0.00e+00 a 0 - - - >> 180 8.106 1.255 122.260 1 T 2.193e+06 0.00e+00 a 0 - - - >> 181 8.107 1.089 122.280 1 T 1.431e+06 0.00e+00 a 0 - - - >> 182 8.105 0.841 122.270 1 T 3.856e+06 0.00e+00 a 0 - - - >> 183 8.107 1.866 122.187 1 T 9.214e+05 0.00e+00 a 0 - - - >> 184 8.105 1.638 122.259 1 T 5.961e+06 0.00e+00 a 0 - - - >> 185 8.102 1.468 122.271 1 T 2.155e+06 0.00e+00 a 0 - - - >> 186 8.107 2.086 122.173 1 T 7.776e+05 0.00e+00 a 0 - - - >> 187 8.109 3.594 122.277 1 T 9.123e+05 0.00e+00 a 0 - - - >> 188 8.103 3.429 122.219 1 T 1.287e+06 0.00e+00 a 0 - - - >> 189 8.105 4.437 122.311 1 T 8.382e+05 0.00e+00 a 0 - - - >> 190 8.105 4.241 122.218 1 T 3.197e+06 0.00e+00 a 0 - - - >> 191 8.105 4.091 122.256 1 T 2.689e+06 0.00e+00 a 0 - - - >> 192 8.107 3.905 122.210 1 T 1.480e+06 0.00e+00 a 0 - - - >> 193 8.107 8.630 122.240 1 T 2.190e+06 0.00e+00 a 0 - - - >> 194 8.105 8.286 122.268 1 T 2.836e+06 0.00e+00 a 0 - - - >> 195 8.630 0.394 105.615 1 T 1.217e+06 0.00e+00 a 0 - - - >> 196 8.632 0.554 105.617 1 T 7.715e+05 0.00e+00 a 0 - - - >> 197 8.632 0.946 105.666 1 T 3.784e+06 0.00e+00 a 0 - - - >> 198 8.633 1.095 105.709 1 T 1.884e+06 0.00e+00 a 0 - - - >> 199 8.639 1.504 105.692 1 T 9.915e+05 0.00e+00 a 0 - - - >> 200 8.631 1.638 105.667 1 T 2.584e+06 0.00e+00 a 0 - - - >> 201 8.633 1.838 105.654 1 T 6.652e+05 0.00e+00 a 0 - - - >> 202 8.635 2.033 105.642 1 T 1.006e+06 0.00e+00 a 0 - - - >> 203 8.639 2.361 105.737 1 T 5.886e+05 0.00e+00 a 0 - - - >> 205 8.632 3.579 105.678 1 T 4.248e+06 0.00e+00 a 0 - - - >> 206 8.632 4.081 105.639 1 T 1.168e+06 0.00e+00 a 0 - - - >> 207 8.665 3.967 105.942 1 T 4.313e+05 0.00e+00 a 0 - - - >> 208 8.632 3.934 105.721 1 T 8.158e+05 0.00e+00 a 0 - - - >> 209 8.627 4.249 105.579 1 T 6.416e+05 0.00e+00 a 0 - - - >> 210 8.644 4.246 105.555 1 T 5.815e+05 0.00e+00 a 0 - - - >> 211 8.632 8.098 105.657 1 T 3.962e+06 0.00e+00 a 0 - - - >> 212 8.089 1.839 119.792 1 T 5.242e+06 0.00e+00 a 0 - - - >> 213 8.055 1.434 119.429 1 T 2.721e+06 0.00e+00 a 0 - - - >> 214 8.087 1.405 119.761 1 T 2.484e+06 0.00e+00 a 0 - - - >> 215 8.088 1.115 119.771 1 T 3.805e+06 0.00e+00 a 0 - - - >> 216 8.090 0.899 119.768 1 T 4.705e+06 0.00e+00 a 0 - - - >> 217 8.081 2.702 119.592 1 T 4.269e+06 0.00e+00 a 0 - - - >> 218 8.061 3.078 119.750 1 T 1.562e+06 0.00e+00 a 0 - - - >> 219 8.052 2.965 119.507 1 T 1.641e+06 0.00e+00 a 0 - - - >> 220 8.087 3.564 119.743 1 T 2.136e+06 0.00e+00 a 0 - - - >> 221 8.090 4.159 119.721 1 T 3.677e+06 0.00e+00 a 0 - - - >> 222 8.100 7.026 119.479 1 T 7.197e+05 0.00e+00 a 0 - - - >> 223 8.086 2.356 119.659 1 T 5.299e+06 0.00e+00 a 0 - - - >> 224 8.145 0.788 119.752 1 T 4.228e+06 0.00e+00 a 0 - - - >> 225 8.087 8.626 119.685 1 T 2.294e+06 0.00e+00 a 0 - - - >> 226 8.085 8.469 119.666 1 T 3.399e+06 0.00e+00 a 0 - - - >> 227 6.674 7.260 110.853 1 T 2.743e+07 0.00e+00 a 0 - - - >> 228 6.676 4.022 111.032 1 T 5.256e+05 0.00e+00 a 0 - - - >> 229 6.674 2.670 110.845 1 T 1.884e+06 0.00e+00 a 0 - - - >> 230 6.674 2.346 110.836 1 T 2.795e+06 0.00e+00 a 0 - - - >> 231 6.671 2.034 110.780 1 T 9.016e+05 0.00e+00 a 0 - - - >> 232 6.675 0.922 110.825 1 T 3.999e+06 0.00e+00 a 0 - - - >> 233 6.674 0.295 110.874 1 T 5.801e+05 0.00e+00 a 0 - - - >> 234 6.667 0.462 110.823 1 T 5.271e+05 0.00e+00 a 0 - - - >> 235 7.264 0.425 110.667 1 T 8.831e+05 0.00e+00 a 0 - - - >> 236 7.262 0.278 110.899 1 T 6.615e+05 0.00e+00 a 0 - - - >> 237 7.262 0.926 110.789 1 T 4.282e+06 0.00e+00 a 0 - - - >> 238 7.267 1.584 110.966 1 T 6.747e+05 0.00e+00 a 0 - - - >> 239 7.258 1.881 110.774 1 T 7.204e+05 0.00e+00 a 0 - - - >> 240 7.260 2.039 110.816 1 T 1.183e+06 0.00e+00 a 0 - - - >> 241 7.263 2.346 110.792 1 T 3.910e+06 0.00e+00 a 0 - - - >> 242 7.263 2.678 110.786 1 T 2.558e+06 0.00e+00 a 0 - - - >> 243 7.260 4.001 110.785 1 T 8.039e+05 0.00e+00 a 0 - - - >> 244 7.263 3.964 110.944 1 T 8.354e+05 0.00e+00 a 0 - - - >> 245 7.262 6.672 110.854 1 T 2.585e+07 0.00e+00 a 0 - - - >> 246 8.468 8.280 122.936 1 T 4.559e+06 0.00e+00 a 0 - - - >> 247 8.469 8.091 122.947 1 T 3.917e+06 0.00e+00 a 0 - - - >> 248 8.472 7.679 122.919 1 T 6.256e+05 0.00e+00 a 0 - - - >> 249 8.464 4.853 123.223 1 T 2.263e+06 0.00e+00 a 0 - - - >> 250 8.510 4.595 122.896 1 T 2.639e+06 0.00e+00 a 0 - - - >> 251 8.509 4.856 122.957 1 T 1.493e+06 0.00e+00 a 0 - - - >> 252 8.467 4.245 122.999 1 T 6.218e+06 0.00e+00 a 0 - - - >> 253 8.467 4.112 122.942 1 T 4.914e+06 0.00e+00 a 0 - - - >> 254 8.468 3.918 122.907 1 T 5.195e+06 0.00e+00 a 0 - - - >> 255 8.468 3.709 122.927 1 T 2.969e+06 0.00e+00 a 0 - - - >> 257 8.469 3.497 122.883 1 T 1.189e+06 0.00e+00 a 0 - - - >> 258 8.470 3.275 122.894 1 T 2.299e+06 0.00e+00 a 0 - - - >> 259 8.468 3.116 122.945 1 T 2.239e+06 0.00e+00 a 0 - - - >> 260 8.468 2.382 122.943 1 T 5.860e+06 0.00e+00 a 0 - - - >> 261 8.467 2.024 122.940 1 T 8.651e+06 0.00e+00 a 0 - - - >> 262 8.469 2.229 122.915 1 T 5.739e+06 0.00e+00 a 0 - - - >> 263 8.465 1.747 123.012 1 T 3.716e+06 0.00e+00 a 0 - - - >> 264 8.469 1.457 122.925 1 T 7.788e+06 0.00e+00 a 0 - - - >> 265 8.465 1.255 122.956 1 T 2.730e+06 0.00e+00 a 0 - - - >> 266 8.469 1.103 122.928 1 T 7.367e+06 0.00e+00 a 0 - - - >> 267 8.468 0.966 122.926 1 T 5.090e+06 0.00e+00 a 0 - - - >> 268 8.467 0.561 122.942 1 T 1.093e+06 0.00e+00 a 0 - - - >> 269 8.466 0.394 122.842 1 T 5.266e+05 0.00e+00 a 0 - - - >> 270 8.467 8.997 123.018 1 T 8.143e+05 0.00e+00 a 0 - - - >> 272 8.535 8.273 121.216 1 T 1.937e+06 0.00e+00 a 0 - - - >> 273 8.534 3.523 121.218 1 T 2.405e+06 0.00e+00 a 0 - - - >> 274 8.534 2.377 121.184 1 T 2.276e+06 0.00e+00 a 0 - - - >> 275 8.556 1.801 121.384 1 T 4.009e+06 0.00e+00 a 0 - - - >> 276 8.533 1.096 121.206 1 T 2.173e+06 0.00e+00 a 0 - - - >> 277 8.532 0.900 121.305 1 T 6.205e+06 0.00e+00 a 0 - - - >> 278 8.537 0.568 121.191 1 T 5.325e+05 0.00e+00 a 0 - - - >> 279 8.270 0.420 119.211 1 T 9.071e+05 0.00e+00 a 0 - - - >> 280 8.269 0.287 119.138 1 T 5.675e+05 0.00e+00 a 0 - - - >> 281 8.272 0.742 119.155 1 T 2.402e+06 0.00e+00 a 0 - - - >> 282 8.272 0.925 119.166 1 T 2.794e+06 0.00e+00 a 0 - - - >> 283 8.269 1.303 119.036 1 T 8.441e+05 0.00e+00 a 0 - - - >> 284 8.272 1.518 119.093 1 T 2.026e+06 0.00e+00 a 0 - - - >> 285 8.273 1.818 119.060 1 T 3.453e+06 0.00e+00 a 0 - - - >> 286 8.275 2.060 119.150 1 T 3.423e+06 0.00e+00 a 0 - - - >> 287 8.271 2.345 119.238 1 T 1.574e+06 0.00e+00 a 0 - - - >> 288 8.271 3.174 119.164 1 T 4.911e+06 0.00e+00 a 0 - - - >> 289 8.270 3.513 119.232 1 T 1.351e+06 0.00e+00 a 0 - - - >> 290 8.268 3.656 119.100 1 T 9.944e+05 0.00e+00 a 0 - - - >> 291 8.272 4.043 119.079 1 T 3.753e+06 0.00e+00 a 0 - - - >> 292 8.275 4.862 119.064 1 T 1.890e+06 0.00e+00 a 0 - - - >> 293 8.271 7.853 119.197 1 T 2.108e+06 0.00e+00 a 0 - - - >> 294 8.272 8.436 119.093 1 T 2.875e+06 0.00e+00 a 0 - - - >> 295 7.849 8.279 118.524 1 T 2.568e+06 0.00e+00 a 0 - - - >> 296 7.850 8.402 118.500 1 T 3.624e+06 0.00e+00 a 0 - - - >> 297 7.845 8.578 118.506 1 T 1.313e+06 0.00e+00 a 0 - - - >> 298 7.847 7.597 118.587 1 T 1.070e+06 0.00e+00 a 0 - - - >> 299 7.849 6.790 118.461 1 T 6.302e+05 0.00e+00 a 0 - - - >> 300 7.849 5.462 118.599 1 T 4.568e+05 0.00e+00 a 0 - - - >> 301 7.849 3.969 118.498 1 T 2.716e+06 0.00e+00 a 0 - - - >> 302 7.850 3.701 118.528 1 T 5.151e+06 0.00e+00 a 0 - - - >> 303 7.849 3.171 118.506 1 T 3.496e+06 0.00e+00 a 0 - - - >> 304 7.851 3.486 118.510 1 T 8.952e+05 0.00e+00 a 0 - - - >> 305 7.851 2.414 118.616 1 T 9.814e+05 0.00e+00 a 0 - - - >> 306 7.849 1.943 118.511 1 T 1.107e+07 0.00e+00 a 0 - - - >> 307 7.853 1.685 118.549 1 T 2.468e+06 0.00e+00 a 0 - - - >> 308 7.850 1.524 118.567 1 T 2.776e+06 0.00e+00 a 0 - - - >> 309 7.848 1.413 118.500 1 T 2.051e+06 0.00e+00 a 0 - - - >> 310 7.851 1.090 118.638 1 T 7.698e+05 0.00e+00 a 0 - - - >> 311 7.853 0.963 118.495 1 T 1.646e+06 0.00e+00 a 0 - - - >> 312 7.855 0.824 118.579 1 T 1.252e+06 0.00e+00 a 0 - - - >> 313 7.853 0.408 118.667 1 T 6.151e+05 0.00e+00 a 0 - - - >> 314 8.404 0.825 117.858 1 T 1.111e+06 0.00e+00 a 0 - - - >> 315 8.402 0.954 117.791 1 T 1.688e+06 0.00e+00 a 0 - - - >> 316 8.402 1.716 117.838 1 T 2.666e+06 0.00e+00 a 0 - - - >> 317 8.403 1.941 117.773 1 T 9.116e+06 0.00e+00 a 0 - - - >> 318 8.391 2.431 117.783 1 T 8.338e+05 0.00e+00 a 0 - - - >> 319 8.396 2.610 117.864 1 T 8.348e+05 0.00e+00 a 0 - - - >> 320 8.403 3.103 117.809 1 T 1.686e+06 0.00e+00 a 0 - - - >> 321 8.405 3.513 117.690 1 T 1.076e+06 0.00e+00 a 0 - - - >> 322 8.403 3.698 117.810 1 T 1.757e+06 0.00e+00 a 0 - - - >> 323 8.404 3.988 117.806 1 T 3.279e+06 0.00e+00 a 0 - - - >> 325 8.409 4.856 117.918 1 T 5.038e+05 0.00e+00 a 0 - - - >> 326 8.403 7.846 117.771 1 T 2.745e+06 0.00e+00 a 0 - - - >> 327 8.401 7.567 117.715 1 T 5.755e+05 0.00e+00 a 0 - - - >> 328 8.403 8.599 117.774 1 T 2.705e+06 0.00e+00 a 0 - - - >> 329 8.610 8.343 118.012 1 T 4.596e+06 0.00e+00 a 0 - - - >> 330 8.607 7.588 118.346 1 T 2.258e+06 0.00e+00 a 0 - - - >> 331 8.609 7.228 118.314 1 T 7.191e+05 0.00e+00 a 0 - - - >> 332 8.611 6.835 117.934 1 T 1.970e+06 0.00e+00 a 0 - - - >> 333 8.610 4.865 118.077 1 T 1.037e+06 0.00e+00 a 0 - - - >> 335 8.610 4.647 117.899 1 T 3.306e+06 0.00e+00 a 0 - - - >> 336 8.607 3.932 118.299 1 T 5.276e+06 0.00e+00 a 0 - - - >> 337 8.609 3.119 118.343 1 T 3.439e+06 0.00e+00 a 0 - - - >> 338 8.608 2.605 118.351 1 T 5.380e+06 0.00e+00 a 0 - - - >> 339 8.609 1.919 118.103 1 T 7.291e+06 0.00e+00 a 0 - - - >> 340 8.606 1.427 118.023 1 T 1.532e+06 0.00e+00 a 0 - - - >> 341 8.608 1.712 118.203 1 T 2.476e+06 0.00e+00 a 0 - - - >> 342 8.608 0.963 118.348 1 T 2.730e+06 0.00e+00 a 0 - - - >> 343 8.607 0.790 118.390 1 T 1.938e+06 0.00e+00 a 0 - - - >> 344 7.598 1.521 118.054 1 T 6.551e+05 0.00e+00 a 0 - - - >> 345 7.604 1.702 118.050 1 T 7.007e+05 0.00e+00 a 0 - - - >> 346 7.590 1.964 117.965 1 T 1.007e+07 0.00e+00 a 0 - - - >> 347 7.589 2.605 117.906 1 T 1.842e+06 0.00e+00 a 0 - - - >> 348 7.588 2.990 118.006 1 T 7.453e+05 0.00e+00 a 0 - - - >> 349 7.590 3.131 117.976 1 T 1.351e+06 0.00e+00 a 0 - - - >> 350 7.591 3.697 117.968 1 T 1.599e+06 0.00e+00 a 0 - - - >> 351 7.588 3.854 117.963 1 T 3.586e+06 0.00e+00 a 0 - - - >> 352 7.589 4.243 118.088 1 T 9.005e+05 0.00e+00 a 0 - - - >> 353 7.595 4.871 117.898 1 T 4.378e+05 0.00e+00 a 0 - - - >> 354 7.586 6.978 117.883 1 T 9.873e+05 0.00e+00 a 0 - - - >> 355 7.590 7.227 117.964 1 T 2.865e+06 0.00e+00 a 0 - - - >> 356 7.593 8.406 117.845 1 T 7.048e+05 0.00e+00 a 0 - - - >> 357 7.591 8.603 117.988 1 T 2.024e+06 0.00e+00 a 0 - - - >> 358 7.586 7.844 117.969 1 T 5.893e+05 0.00e+00 a 0 - - - >> 359 7.231 7.589 115.344 1 T 3.157e+06 0.00e+00 a 0 - - - >> 360 7.232 6.996 115.359 1 T 4.404e+06 0.00e+00 a 0 - - - >> 361 7.231 4.262 115.360 1 T 4.117e+06 0.00e+00 a 0 - - - >> 362 7.230 3.975 115.355 1 T 1.927e+06 0.00e+00 a 0 - - - >> 363 7.230 3.853 115.402 1 T 1.588e+06 0.00e+00 a 0 - - - >> 364 7.231 3.057 115.398 1 T 9.955e+05 0.00e+00 a 0 - - - >> 365 7.230 2.467 115.366 1 T 3.251e+06 0.00e+00 a 0 - - - >> 366 7.231 2.110 115.365 1 T 4.080e+06 0.00e+00 a 0 - - - >> 367 7.231 1.978 115.355 1 T 7.452e+06 0.00e+00 a 0 - - - >> 368 7.231 2.243 115.348 1 T 2.972e+06 0.00e+00 a 0 - - - >> 369 7.229 1.642 115.328 1 T 7.448e+05 0.00e+00 a 0 - - - >> 370 6.993 1.186 120.551 1 T 6.925e+05 0.00e+00 a 0 - - - >> 371 6.993 0.935 120.658 1 T 6.187e+05 0.00e+00 a 0 - - - >> 372 6.993 0.840 120.697 1 T 5.671e+05 0.00e+00 a 0 - - - >> 373 6.998 2.446 120.632 1 T 3.064e+06 0.00e+00 a 0 - - - >> 374 6.998 2.262 120.647 1 T 1.672e+06 0.00e+00 a 0 - - - >> 375 6.997 2.022 120.637 1 T 4.131e+06 0.00e+00 a 0 - - - >> 376 6.990 1.700 120.859 1 T 8.553e+05 0.00e+00 a 0 - - - >> 377 6.998 3.003 120.650 1 T 4.735e+06 0.00e+00 a 0 - - - >> 378 7.000 2.808 120.613 1 T 8.122e+05 0.00e+00 a 0 - - - >> 379 6.998 4.280 120.654 1 T 4.071e+06 0.00e+00 a 0 - - - >> 380 7.000 3.950 120.703 1 T 1.798e+06 0.00e+00 a 0 - - - >> 381 6.997 7.232 120.636 1 T 4.375e+06 0.00e+00 a 0 - - - >> 382 6.998 7.585 120.657 1 T 1.104e+06 0.00e+00 a 0 - - - >> 383 6.995 8.855 120.614 1 T 1.110e+06 0.00e+00 a 0 - - - >> 384 6.994 8.598 120.705 1 T 5.623e+05 0.00e+00 a 0 - - - >> 385 8.851 7.341 120.632 1 T 1.706e+06 0.00e+00 a 0 - - - >> 386 8.851 6.980 120.518 1 T 7.475e+05 0.00e+00 a 0 - - - >> 387 8.848 4.295 120.579 1 T 2.917e+06 0.00e+00 a 0 - - - >> 388 8.846 3.979 120.588 1 T 1.227e+06 0.00e+00 a 0 - - - >> 389 8.847 2.994 120.573 1 T 9.860e+05 0.00e+00 a 0 - - - >> 390 8.852 2.456 120.445 1 T 6.880e+05 0.00e+00 a 0 - - - >> 391 8.847 1.358 120.558 1 T 2.145e+06 0.00e+00 a 0 - - - >> 392 8.849 1.149 120.582 1 T 1.836e+06 0.00e+00 a 0 - - - >> 393 7.351 1.331 115.674 1 T 2.121e+06 0.00e+00 a 0 - - - >> 394 7.352 1.146 115.728 1 T 1.905e+06 0.00e+00 a 0 - - - >> 395 7.353 0.888 115.770 1 T 1.175e+06 0.00e+00 a 0 - - - >> 396 7.354 1.618 115.716 1 T 1.007e+06 0.00e+00 a 0 - - - >> 397 7.352 2.041 115.684 1 T 1.214e+06 0.00e+00 a 0 - - - >> 399 7.350 2.258 115.645 1 T 1.539e+06 0.00e+00 a 0 - - - >> 400 7.352 2.445 115.757 1 T 1.762e+06 0.00e+00 a 0 - - - >> 401 7.352 2.986 115.705 1 T 1.618e+06 0.00e+00 a 0 - - - >> 402 7.350 2.831 115.714 1 T 2.109e+06 0.00e+00 a 0 - - - >> 403 7.351 3.276 115.705 1 T 1.909e+06 0.00e+00 a 0 - - - >> 404 7.351 3.970 115.716 1 T 1.924e+06 0.00e+00 a 0 - - - >> 405 7.352 3.636 115.710 1 T 5.083e+05 0.00e+00 a 0 - - - >> 406 7.351 4.301 115.726 1 T 1.743e+06 0.00e+00 a 0 - - - >> 407 7.350 4.976 115.729 1 T 2.011e+06 0.00e+00 a 0 - - - >> 408 7.354 6.974 115.643 1 T 1.280e+06 0.00e+00 a 0 - - - >> 410 7.351 8.838 115.676 1 T 3.254e+06 0.00e+00 a 0 - - - >> 411 8.811 8.138 113.935 1 T 1.735e+06 0.00e+00 a 0 - - - >> 413 8.810 7.302 113.901 1 T 1.702e+06 0.00e+00 a 0 - - - >> 414 8.810 7.144 113.916 1 T 5.228e+05 0.00e+00 a 0 - - - >> 415 8.812 4.982 113.922 1 T 2.708e+06 0.00e+00 a 0 - - - >> 416 8.813 4.707 113.997 1 T 8.154e+05 0.00e+00 a 0 - - - >> 417 8.809 3.753 113.907 1 T 3.013e+06 0.00e+00 a 0 - - - >> 418 8.811 3.274 113.904 1 T 1.547e+06 0.00e+00 a 0 - - - >> 419 8.811 2.871 113.925 1 T 2.395e+06 0.00e+00 a 0 - - - >> 420 8.809 1.689 113.846 1 T 7.334e+05 0.00e+00 a 0 - - - >> 421 8.809 1.221 113.910 1 T 1.712e+06 0.00e+00 a 0 - - - >> 422 8.808 0.874 113.897 1 T 6.791e+05 0.00e+00 a 0 - - - >> 423 8.139 1.243 115.869 1 T 4.481e+06 0.00e+00 a 0 - - - >> 425 8.140 1.676 115.886 1 T 5.891e+06 0.00e+00 a 0 - - - >> 426 8.140 2.889 115.823 1 T 1.998e+06 0.00e+00 a 0 - - - >> 427 8.138 3.462 115.963 1 T 8.171e+05 0.00e+00 a 0 - - - >> 428 8.139 3.623 115.880 1 T 2.433e+06 0.00e+00 a 0 - - - >> 429 8.140 3.751 115.903 1 T 2.332e+06 0.00e+00 a 0 - - - >> 430 8.137 4.020 115.860 1 T 5.456e+05 0.00e+00 a 0 - - - >> 431 8.138 4.685 115.859 1 T 5.032e+05 0.00e+00 a 0 - - - >> 432 8.143 4.983 115.766 1 T 6.911e+05 0.00e+00 a 0 - - - >> 433 8.141 4.867 115.785 1 T 4.886e+05 0.00e+00 a 0 - - - >> 434 8.139 8.808 115.918 1 T 2.289e+06 0.00e+00 a 0 - - - >> 435 8.140 10.655 115.852 1 T 1.513e+06 0.00e+00 a 0 - - - >> 436 10.650 8.154 120.811 1 T 9.301e+05 0.00e+00 a 0 - - - >> 437 10.663 9.955 120.835 1 T 9.569e+05 0.00e+00 a 0 - - - >> 438 10.655 4.028 120.821 1 T 1.601e+06 0.00e+00 a 0 - - - >> 439 10.663 2.884 120.798 1 T 5.877e+05 0.00e+00 a 0 - - - >> 440 10.655 1.251 120.741 1 T 4.808e+05 0.00e+00 a 0 - - - >> 441 10.658 1.523 120.818 1 T 1.783e+06 0.00e+00 a 0 - - - >> 442 10.660 1.695 120.799 1 T 2.499e+06 0.00e+00 a 0 - - - >> 443 10.655 2.201 120.791 1 T 1.731e+06 0.00e+00 a 0 - - - >> 444 9.952 1.515 120.362 1 T 7.917e+05 0.00e+00 a 0 - - - >> 445 9.961 1.692 120.621 1 T 9.231e+05 0.00e+00 a 0 - - - >> 446 9.962 2.177 120.609 1 T 1.126e+06 0.00e+00 a 0 - - - >> 447 9.960 2.387 120.666 1 T 1.315e+06 0.00e+00 a 0 - - - >> 448 9.965 2.638 120.576 1 T 8.686e+05 0.00e+00 a 0 - - - >> 449 9.968 2.883 120.656 1 T 7.970e+05 0.00e+00 a 0 - - - >> 450 9.961 4.023 120.580 1 T 1.306e+06 0.00e+00 a 0 - - - >> 451 9.961 7.852 120.630 1 T 4.529e+05 0.00e+00 a 0 - - - >> 452 9.960 8.621 120.638 1 T 7.492e+05 0.00e+00 a 0 - - - >> 454 9.967 8.800 120.712 1 T 5.037e+05 0.00e+00 a 0 - - - >> 456 9.966 9.270 120.582 1 T 5.081e+05 0.00e+00 a 0 - - - >> 457 9.965 10.653 120.633 1 T 8.983e+05 0.00e+00 a 0 - - - >> 458 7.177 9.316 112.168 1 T 6.878e+05 0.00e+00 a 0 - - - >> 459 7.178 6.830 112.151 1 T 8.884e+05 0.00e+00 a 0 - - - >> 460 7.187 4.302 112.026 1 T 8.131e+05 0.00e+00 a 0 - - - >> 461 7.182 1.183 112.206 1 T 5.062e+05 0.00e+00 a 0 - - - >> 462 9.344 2.435 112.229 1 T 5.883e+05 0.00e+00 a 0 - - - >> 463 9.346 2.066 112.169 1 T 4.678e+05 0.00e+00 a 0 - - - >> 464 9.332 4.295 112.062 1 T 8.194e+05 0.00e+00 a 0 - - - >> 465 9.343 7.212 112.067 1 T 7.423e+05 0.00e+00 a 0 - - - >> 466 8.607 9.961 119.083 1 T 1.143e+06 0.00e+00 a 0 - - - >> 467 8.602 10.653 119.162 1 T 8.721e+05 0.00e+00 a 0 - - - >> 468 8.605 8.762 118.986 1 T 2.513e+06 0.00e+00 a 0 - - - >> 469 8.675 7.858 119.577 1 T 4.775e+05 0.00e+00 a 0 - - - >> 470 8.605 7.126 119.130 1 T 1.133e+06 0.00e+00 a 0 - - - >> 471 8.610 7.362 119.143 1 T 5.500e+05 0.00e+00 a 0 - - - >> 472 8.605 4.253 118.971 1 T 1.789e+06 0.00e+00 a 0 - - - >> 473 8.603 3.470 118.941 1 T 3.405e+06 0.00e+00 a 0 - - - >> 474 8.607 3.622 119.031 1 T 1.196e+06 0.00e+00 a 0 - - - >> 477 8.607 2.386 118.933 1 T 1.222e+06 0.00e+00 a 0 - - - >> 478 8.770 1.521 119.269 1 T 2.761e+06 0.00e+00 a 0 - - - >> 479 8.771 1.706 119.220 1 T 3.886e+06 0.00e+00 a 0 - - - >> 480 8.772 1.858 119.225 1 T 5.492e+06 0.00e+00 a 0 - - - >> 481 8.765 2.773 119.329 1 T 2.226e+06 0.00e+00 a 0 - - - >> 482 8.766 2.984 119.352 1 T 3.070e+06 0.00e+00 a 0 - - - >> 483 8.767 3.623 119.324 1 T 1.187e+06 0.00e+00 a 0 - - - >> 484 8.768 3.465 119.264 1 T 1.393e+06 0.00e+00 a 0 - - - >> 485 8.762 4.236 119.192 1 T 1.729e+06 0.00e+00 a 0 - - - >> 486 8.770 3.908 119.218 1 T 3.617e+06 0.00e+00 a 0 - - - >> 487 8.766 7.089 119.355 1 T 5.606e+05 0.00e+00 a 0 - - - >> 488 8.773 7.851 119.226 1 T 2.448e+06 0.00e+00 a 0 - - - >> 489 8.774 7.329 119.241 1 T 6.164e+05 0.00e+00 a 0 - - - >> 490 8.772 8.611 119.269 1 T 2.817e+06 0.00e+00 a 0 - - - >> 491 7.856 10.020 120.048 1 T 1.014e+06 0.00e+00 a 0 - - - >> 492 7.855 8.771 119.857 1 T 2.751e+06 0.00e+00 a 0 - - - >> 493 7.857 7.351 119.852 1 T 2.172e+06 0.00e+00 a 0 - - - >> 494 7.858 4.856 119.948 1 T 1.535e+06 0.00e+00 a 0 - - - >> 495 7.858 3.939 119.890 1 T 4.394e+06 0.00e+00 a 0 - - - >> 496 7.854 3.167 119.980 1 T 1.740e+06 0.00e+00 a 0 - - - >> 497 7.857 2.882 119.847 1 T 1.627e+06 0.00e+00 a 0 - - - >> 498 7.857 1.999 120.004 1 T 5.104e+06 0.00e+00 a 0 - - - >> 499 7.862 1.870 120.060 1 T 7.462e+06 0.00e+00 a 0 - - - >> 500 7.862 1.111 119.958 1 T 1.282e+06 0.00e+00 a 0 - - - >> 501 7.864 -0.247 120.033 1 T 6.267e+05 0.00e+00 a 0 - - - >> 502 7.354 -0.220 120.658 1 T 1.030e+06 0.00e+00 a 0 - - - >> 503 7.348 0.528 120.671 1 T 1.258e+06 0.00e+00 a 0 - - - >> 504 7.352 1.044 120.640 1 T 2.422e+06 0.00e+00 a 0 - - - >> 505 7.350 1.824 120.654 1 T 2.524e+06 0.00e+00 a 0 - - - >> 506 7.351 2.009 120.720 1 T 1.103e+06 0.00e+00 a 0 - - - >> 508 7.299 1.571 120.985 1 T 4.124e+05 0.00e+00 a 0 - - - >> 509 7.348 1.528 120.678 1 T 5.844e+05 0.00e+00 a 0 - - - >> 510 7.361 1.477 120.919 1 T 5.821e+05 0.00e+00 a 0 - - - >> 511 7.353 3.474 120.605 1 T 7.138e+05 0.00e+00 a 0 - - - >> 512 7.353 4.250 120.620 1 T 1.097e+06 0.00e+00 a 0 - - - >> 513 7.353 4.104 120.619 1 T 1.950e+06 0.00e+00 a 0 - - - >> 514 7.354 3.941 120.714 1 T 1.282e+06 0.00e+00 a 0 - - - >> 516 7.345 4.863 120.733 1 T 7.088e+05 0.00e+00 a 0 - - - >> 517 7.351 7.097 120.697 1 T 6.241e+05 0.00e+00 a 0 - - - >> 518 7.352 8.006 120.651 1 T 1.574e+06 0.00e+00 a 0 - - - >> 519 7.349 7.859 120.660 1 T 1.727e+06 0.00e+00 a 0 - - - >> 520 8.015 7.345 105.308 1 T 1.704e+06 0.00e+00 a 0 - - - >> 521 8.013 8.409 105.274 1 T 1.971e+06 0.00e+00 a 0 - - - >> 522 8.010 8.578 105.248 1 T 1.189e+06 0.00e+00 a 0 - - - >> 523 8.009 8.700 105.278 1 T 7.232e+05 0.00e+00 a 0 - - - >> 524 8.014 4.870 105.263 1 T 4.956e+05 0.00e+00 a 0 - - - >> 525 8.015 4.101 105.298 1 T 3.735e+06 0.00e+00 a 0 - - - >> 526 8.017 3.927 105.298 1 T 2.716e+06 0.00e+00 a 0 - - - >> 527 8.013 3.469 105.300 1 T 2.529e+06 0.00e+00 a 0 - - - >> 528 8.014 3.159 105.245 1 T 1.578e+06 0.00e+00 a 0 - - - >> 529 8.015 2.600 105.209 1 T 1.569e+06 0.00e+00 a 0 - - - >> 530 8.008 2.013 105.277 1 T 6.960e+05 0.00e+00 a 0 - - - >> 531 8.000 2.201 105.271 1 T 6.861e+05 0.00e+00 a 0 - - - >> 532 8.010 1.558 105.323 1 T 6.993e+05 0.00e+00 a 0 - - - >> 533 8.014 1.820 105.296 1 T 1.824e+06 0.00e+00 a 0 - - - >> 534 8.014 1.032 105.263 1 T 2.073e+06 0.00e+00 a 0 - - - >> 537 8.021 0.722 105.328 1 T 6.674e+05 0.00e+00 a 0 - - - >> 538 8.013 0.530 105.283 1 T 9.841e+05 0.00e+00 a 0 - - - >> 539 8.015 0.307 105.305 1 T 5.951e+05 0.00e+00 a 0 - - - >> 540 8.014 -0.212 105.284 1 T 1.005e+06 0.00e+00 a 0 - - - >> 541 8.411 1.844 120.688 1 T 1.389e+06 0.00e+00 a 0 - - - >> 543 8.407 2.609 120.766 1 T 6.251e+05 0.00e+00 a 0 - - - >> 544 8.410 3.468 120.696 1 T 1.624e+06 0.00e+00 a 0 - - - >> 545 8.410 3.180 120.660 1 T 7.897e+06 0.00e+00 a 0 - - - >> 546 8.410 4.261 120.673 1 T 3.592e+06 0.00e+00 a 0 - - - >> 547 8.413 4.111 120.626 1 T 2.287e+06 0.00e+00 a 0 - 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- - >>1720 7.747 4.329 121.171 1 T 4.996e+06 0.00e+00 a 0 - - - >>1721 7.747 4.859 121.202 1 T 3.194e+06 0.00e+00 a 0 - - - >>1722 8.189 7.743 121.872 1 T 1.206e+06 0.00e+00 a 0 - - - >>1723 8.191 4.861 121.957 1 T 3.620e+06 0.00e+00 a 0 - - - >>1724 8.191 4.299 121.957 1 T 7.680e+06 0.00e+00 a 0 - - - >>1725 8.190 1.799 121.965 1 T 4.172e+06 0.00e+00 a 0 - - - >>1726 8.191 1.633 121.970 1 T 3.395e+06 0.00e+00 a 0 - - - >>1727 8.189 0.917 121.985 1 T 1.644e+06 0.00e+00 a 0 - - - >>1728 8.056 4.861 127.025 1 T 1.822e+06 0.00e+00 a 0 - - - >>1729 8.055 4.397 127.000 1 T 1.514e+07 0.00e+00 a 0 - - - >>1730 8.055 4.271 126.976 1 T 1.231e+06 0.00e+00 a 0 - - - >>1731 8.056 3.214 127.091 1 T 7.394e+05 0.00e+00 a 0 - - - >>1732 8.055 2.616 127.004 1 T 5.721e+06 0.00e+00 a 0 - - - >>1733 8.055 1.910 126.995 1 T 2.241e+06 0.00e+00 a 0 - - - >>1734 8.055 1.774 126.991 1 T 2.970e+06 0.00e+00 a 0 - - - >>1735 8.055 1.639 126.980 1 T 2.314e+06 0.00e+00 a 0 - - - >>1736 10.033 -0.054 127.771 1 T 1.589e+06 0.00e+00 a 0 - - - >>1737 10.035 0.859 127.856 1 T 2.459e+06 0.00e+00 a 0 - - - >>1738 10.037 1.609 127.876 1 T 8.502e+05 0.00e+00 a 0 - - - >>1739 10.039 1.408 127.896 1 T 8.914e+05 0.00e+00 a 0 - - - >>1740 10.038 2.227 127.849 1 T 2.169e+06 0.00e+00 a 0 - - - >>1741 10.037 2.012 127.859 1 T 2.008e+06 0.00e+00 a 0 - - - >>1742 10.039 1.853 127.818 1 T 1.872e+06 0.00e+00 a 0 - - - >>1743 10.036 2.648 127.783 1 T 8.864e+05 0.00e+00 a 0 - - - >>1744 10.039 3.211 127.879 1 T 7.705e+05 0.00e+00 a 0 - - - >>1745 10.037 3.029 127.864 1 T 1.708e+06 0.00e+00 a 0 - - - >>1746 10.039 3.443 127.737 1 T 8.408e+05 0.00e+00 a 0 - - - >>1748 10.036 3.332 127.812 1 T 7.753e+05 0.00e+00 a 0 - - - >>1749 10.036 3.653 127.842 1 T 1.437e+06 0.00e+00 a 0 - - - >>1750 10.037 3.895 127.831 1 T 2.080e+06 0.00e+00 a 0 - - - >>1751 10.039 4.194 127.828 1 T 1.267e+06 0.00e+00 a 0 - - - >>1752 10.038 4.557 127.922 1 T 1.513e+06 0.00e+00 a 0 - - - >>1753 10.040 4.857 127.850 1 T 1.360e+06 0.00e+00 a 0 - - - >>1754 10.041 6.124 127.966 1 T 1.003e+06 0.00e+00 a 0 - - - >>1755 10.040 6.678 127.783 1 T 9.642e+05 0.00e+00 a 0 - - - >>1756 10.038 7.006 127.865 1 T 1.060e+07 0.00e+00 a 0 - - - >>1757 10.038 7.344 127.829 1 T 6.142e+06 0.00e+00 a 0 - - - >>1758 10.039 7.816 127.858 1 T 6.578e+05 0.00e+00 a 0 - - - >>1759 10.044 8.107 127.924 1 T 4.078e+05 0.00e+00 a 0 - - - >>1760 10.038 8.521 127.925 1 T 1.244e+06 0.00e+00 a 0 - - - >>1763 7.008 7.577 113.528 1 T 4.963e+07 0.00e+00 a 0 - - - >>1764 7.011 4.857 113.513 1 T 1.726e+06 0.00e+00 a 0 - - - >>1765 7.007 4.325 113.488 1 T 4.593e+05 0.00e+00 a 0 - - - >>1766 7.008 3.941 113.523 1 T 7.762e+05 0.00e+00 a 0 - - - >>1767 7.008 2.538 113.504 1 T 3.126e+06 0.00e+00 a 0 - - - >>1768 7.008 2.211 113.439 1 T 1.092e+06 0.00e+00 a 0 - - - >>1769 7.008 1.451 113.549 1 T 1.312e+06 0.00e+00 a 0 - - - >>1770 7.010 0.816 113.503 1 T 9.423e+05 0.00e+00 a 0 - - - >>1771 7.578 2.216 113.540 1 T 1.423e+06 0.00e+00 a 0 - - - >>1772 7.578 2.539 113.510 1 T 5.249e+06 0.00e+00 a 0 - - - >>1773 7.520 2.483 113.786 1 T 4.898e+05 0.00e+00 a 0 - - - >>1774 7.576 0.831 113.503 1 T 9.034e+05 0.00e+00 a 0 - - - >>1775 7.578 3.935 113.441 1 T 1.363e+06 0.00e+00 a 0 - - - >>1776 7.578 7.006 113.530 1 T 4.604e+07 0.00e+00 a 0 - - - >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 HN . . 18.023 ppm . . . 4.864 . . 34526 3 >> 2 . . H 1 H . . 11.992 ppm . . . 4.864 . . 34526 3 >> 3 . . N 15 N . . 29.502 ppm . . . 117.65 . . 34526 3 >> >> stop_ >> >>save_ >> ; save_