data_19314 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of Microtubule-associated serine/threonine-protein kinase 1 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR9151A ; _BMRB_accession_number 19314 _BMRB_flat_file_name bmr19314.str _Entry_type original _Submission_date 2013-06-20 _Accession_date 2013-06-20 _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 Xu Xianzhong . . 2 Eletsky Alexander . . 3 Shastry Ritu . . 4 Lee Dan . . 5 Hamilton Keith . . 6 Xiao Rong . . 7 Acton Thomas B. . 8 Everett John K. . 9 Montelione Gaetano T. . 10 Szyperski Thomas . . 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" 601 "13C chemical shifts" 453 "15N chemical shifts" 98 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-07-08 original author . stop_ _Original_release_date 2013-07-08 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR Structure of Microtubule-associated serine/threonine-protein kinase 1 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR9151A' _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 Xu Xianzhong . . 2 Eletsky Alexander . . 3 Shastry Ritu . . 4 Lee Dan . . 5 Hamilton Keith . . 6 Xiao Rong . . 7 Acton Thomas B. . 8 Everett John K. . 9 Montelione Gaetano T. . 10 Szyperski Thomas . . stop_ _Journal_abbreviation 'To be published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'Northeast Structural Genomics Consortium(NESG)' 'Protein NMR' PSI-Biology 'Structure Geonomics' 'Target HR9151A' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HR9151A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HR9151A $HR9151A stop_ _System_molecular_weight 13763 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HR9151A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HR9151A _Molecular_mass 13040.079 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; MGHHHHHHSHMPKATAQMEE KLRDFTRAYEPDSVLPLADG VLSFIHHQIIELARDCLTKS RDGLITTVYFYELQENLEKL LQDAYERSESLEVAFVTQLV KKLLIIISRPAR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 SER 10 HIS 11 MET 12 PRO 13 LYS 14 ALA 15 THR 16 ALA 17 GLN 18 MET 19 GLU 20 GLU 21 LYS 22 LEU 23 ARG 24 ASP 25 PHE 26 THR 27 ARG 28 ALA 29 TYR 30 GLU 31 PRO 32 ASP 33 SER 34 VAL 35 LEU 36 PRO 37 LEU 38 ALA 39 ASP 40 GLY 41 VAL 42 LEU 43 SER 44 PHE 45 ILE 46 HIS 47 HIS 48 GLN 49 ILE 50 ILE 51 GLU 52 LEU 53 ALA 54 ARG 55 ASP 56 CYS 57 LEU 58 THR 59 LYS 60 SER 61 ARG 62 ASP 63 GLY 64 LEU 65 ILE 66 THR 67 THR 68 VAL 69 TYR 70 PHE 71 TYR 72 GLU 73 LEU 74 GLN 75 GLU 76 ASN 77 LEU 78 GLU 79 LYS 80 LEU 81 LEU 82 GLN 83 ASP 84 ALA 85 TYR 86 GLU 87 ARG 88 SER 89 GLU 90 SER 91 LEU 92 GLU 93 VAL 94 ALA 95 PHE 96 VAL 97 THR 98 GLN 99 LEU 100 VAL 101 LYS 102 LYS 103 LEU 104 LEU 105 ILE 106 ILE 107 ILE 108 SER 109 ARG 110 PRO 111 ALA 112 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2M9X "Solution Nmr Structure Of Microtubule-associated Serine/threonine- Protein Kinase 1 From Homo Sapiens, Northeast Structural Gen" 100.00 112 100.00 100.00 3.72e-75 REF XP_004023623 "PREDICTED: LOW QUALITY PROTEIN: microtubule-associated serine/threonine-protein kinase 1 isoform X1 [Ovis aries]" 91.07 1449 97.06 98.04 1.46e-56 REF XP_007622501 "PREDICTED: LOW QUALITY PROTEIN: microtubule-associated serine/threonine-protein kinase 1 isoform X2, partial [Cricetulus griseu" 58.93 1517 100.00 100.00 4.36e-34 REF XP_008046233 "PREDICTED: microtubule-associated serine/threonine-protein kinase 1 [Tarsius syrichta]" 67.86 1818 97.37 100.00 1.82e-38 REF XP_010853832 "PREDICTED: microtubule-associated serine/threonine-protein kinase 1 [Bison bison bison]" 91.07 1487 97.06 99.02 2.39e-58 REF XP_011287990 "PREDICTED: microtubule-associated serine/threonine-protein kinase 1 [Felis catus]" 88.39 1547 97.98 98.99 6.29e-57 stop_ 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 $HR9151A Human 9606 Eukaryota Metazoa Homo sapiens MAST1 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 $HR9151A 'recombinant technology' . Escherichia coli BL21(DE3)pMgK pET15_NESG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_HR9151A.011 _Saveframe_category sample _Sample_type solution _Details '0.508 mM HR9151A, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR9151A 0.508 mM '[U-100% 13C; U-100% 15N]' DTT 5 mM 'natural abundance' NaCl 100 mM 'natural abundance' 'Tris-HCl pH 7.5' 10 mM 'natural abundance' NaN3 0.02 % 'natural abundance' DSS 50 uM 'natural abundance' stop_ save_ save_HR9151A.009 _Saveframe_category sample _Sample_type solution _Details '0.388 mM HR9151A, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR9151A 0.39 mM '[%5-13C; U-100% 15N]' DTT 5 mM 'natural abundance' NaCl 100 mM 'natural abundance' 'Tris-HCl pH 7.5' 10 mM 'natural abundance' NaN3 0.02 % 'natural abundance' DSS 50 uM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'refinemen,structure solution,geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'refinement,geometry optimization,structure solution' stop_ _Details . save_ save_AutoStructure _Saveframe_category software _Name AutoStruct _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Huang, Tejero, Powers and Montelione' . . stop_ loop_ _Task 'data analysis,refinement' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.3.1 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'data analysis,chemical shift assignment' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis,peak picking,chemical shift assignment' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version 2.2D loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_PSVS _Saveframe_category software _Name PSVS _Version 1.4 loop_ _Vendor _Address _Electronic_address 'Bhattacharya, Montelione' . . stop_ loop_ _Task 'structure validation' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_PROSA _Saveframe_category software _Name PROSA _Version . loop_ _Vendor _Address _Electronic_address Guntert . . stop_ loop_ _Task processing stop_ _Details . save_ save_CSI _Saveframe_category software _Name CSI _Version . loop_ _Vendor _Address _Electronic_address '(CSI)-Wishart and Sykes' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_750 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details 'HCN,cold probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $HR9151A.011 save_ save_2D_1H-13C_CT_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT HSQC aliphatic' _Sample_label $HR9151A.011 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $HR9151A.011 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $HR9151A.011 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $HR9151A.011 save_ save_2D_1H-13C_CT_HSQC_aromatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C CT HSQC aromatic' _Sample_label $HR9151A.011 save_ save_3D_simutaneous_13C-aromatic,13C-aliphatic,15N_edited_1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _Sample_label $HR9151A.011 save_ save_3D_(H)CCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $HR9151A.011 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $HR9151A.011 save_ save_3D_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $HR9151A.011 save_ save_2D_1H-15N_HSQC_wide_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC_wide' _Sample_label $HR9151A.011 save_ save_3D_(H)CCH-COSYali_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-COSYali' _Sample_label $HR9151A.011 save_ save_3D_(H)CCH-COSYaro_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-COSYaro' _Sample_label $HR9151A.011 save_ save_2D_1H-13C_HSQC_methyl_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC methyl' _Sample_label $HR9151A.009 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 . pH pressure 1 . atm temperature 283 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_hr9151a.str _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C CT HSQC aliphatic' '3D HNCO' '3D CBCA(CO)NH' '3D HNCACB' '2D 1H-13C CT HSQC aromatic' '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' '3D (H)CCH-TOCSY' '3D HBHA(CO)NH' '3D HN(CA)CO' '2D 1H-15N HSQC_wide' '3D (H)CCH-COSYali' '3D (H)CCH-COSYaro' '2D 1H-13C HSQC methyl' stop_ loop_ _Sample_label $HR9151A.011 $HR9151A.009 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $DSS _Mol_system_component_name HR9151A _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 10 10 HIS HA H 4.624 0.02 1 2 10 10 HIS HB2 H 3.102 0.02 1 3 10 10 HIS HB3 H 3.102 0.02 1 4 10 10 HIS CA C 56.220 0.4 1 5 10 10 HIS CB C 30.929 0.4 1 6 10 10 HIS N N 119.305 0.4 1 7 11 11 MET H H 8.242 0.02 1 8 11 11 MET HA H 4.720 0.02 1 9 11 11 MET HB2 H 2.037 0.02 2 10 11 11 MET HB3 H 1.916 0.02 2 11 11 11 MET HG2 H 2.502 0.02 2 12 11 11 MET HG3 H 2.428 0.02 2 13 11 11 MET HE H 2.056 0.02 1 14 11 11 MET CA C 53.340 0.4 1 15 11 11 MET CB C 32.044 0.4 1 16 11 11 MET CG C 31.785 0.4 1 17 11 11 MET CE C 16.945 0.4 1 18 11 11 MET N N 122.753 0.4 1 19 13 13 LYS HA H 4.265 0.02 1 20 13 13 LYS HB2 H 1.863 0.02 2 21 13 13 LYS HB3 H 1.820 0.02 2 22 13 13 LYS HG2 H 1.490 0.02 2 23 13 13 LYS HG3 H 1.458 0.02 2 24 13 13 LYS HD2 H 1.685 0.02 1 25 13 13 LYS HD3 H 1.685 0.02 1 26 13 13 LYS HE2 H 2.979 0.02 1 27 13 13 LYS HE3 H 2.979 0.02 1 28 13 13 LYS CA C 57.029 0.4 1 29 13 13 LYS CB C 32.710 0.4 1 30 13 13 LYS CG C 24.741 0.4 1 31 13 13 LYS CD C 28.982 0.4 1 32 13 13 LYS CE C 41.942 0.4 1 33 14 14 ALA H H 8.455 0.02 1 34 14 14 ALA HA H 4.357 0.02 1 35 14 14 ALA HB H 1.484 0.02 1 36 14 14 ALA CA C 53.641 0.4 1 37 14 14 ALA CB C 18.406 0.4 1 38 14 14 ALA N N 123.879 0.4 1 39 15 15 THR H H 8.017 0.02 1 40 15 15 THR HA H 4.193 0.02 1 41 15 15 THR HB H 4.361 0.02 1 42 15 15 THR HG2 H 1.245 0.02 1 43 15 15 THR C C 175.172 0.4 1 44 15 15 THR CA C 63.894 0.4 1 45 15 15 THR CB C 68.904 0.4 1 46 15 15 THR CG2 C 22.101 0.4 1 47 15 15 THR N N 113.403 0.4 1 48 16 16 ALA H H 8.147 0.02 1 49 16 16 ALA HA H 4.163 0.02 1 50 16 16 ALA HB H 1.488 0.02 1 51 16 16 ALA C C 180.320 0.4 1 52 16 16 ALA CA C 54.792 0.4 1 53 16 16 ALA CB C 18.161 0.4 1 54 16 16 ALA N N 124.884 0.4 1 55 17 17 GLN H H 8.360 0.02 1 56 17 17 GLN HA H 4.189 0.02 1 57 17 17 GLN HB2 H 2.175 0.02 2 58 17 17 GLN HB3 H 2.098 0.02 2 59 17 17 GLN HG2 H 2.522 0.02 2 60 17 17 GLN HG3 H 2.392 0.02 2 61 17 17 GLN HE21 H 7.674 0.02 2 62 17 17 GLN HE22 H 7.005 0.02 2 63 17 17 GLN C C 177.935 0.4 1 64 17 17 GLN CA C 58.504 0.4 1 65 17 17 GLN CB C 28.428 0.4 1 66 17 17 GLN CG C 34.327 0.4 1 67 17 17 GLN N N 117.607 0.4 1 68 17 17 GLN NE2 N 112.573 0.4 1 69 18 18 MET H H 8.121 0.02 1 70 18 18 MET HA H 4.015 0.02 1 71 18 18 MET HB2 H 2.210 0.02 1 72 18 18 MET HB3 H 2.210 0.02 1 73 18 18 MET HG2 H 2.645 0.02 2 74 18 18 MET HG3 H 2.265 0.02 2 75 18 18 MET HE H 2.110 0.02 1 76 18 18 MET C C 178.313 0.4 1 77 18 18 MET CA C 59.394 0.4 1 78 18 18 MET CB C 32.814 0.4 1 79 18 18 MET CG C 30.946 0.4 1 80 18 18 MET CE C 16.515 0.4 1 81 18 18 MET N N 120.897 0.4 1 82 19 19 GLU H H 8.526 0.02 1 83 19 19 GLU HA H 3.806 0.02 1 84 19 19 GLU HB2 H 1.932 0.02 1 85 19 19 GLU HB3 H 1.932 0.02 1 86 19 19 GLU HG2 H 2.656 0.02 2 87 19 19 GLU HG3 H 2.222 0.02 2 88 19 19 GLU C C 178.544 0.4 1 89 19 19 GLU CA C 60.193 0.4 1 90 19 19 GLU CB C 29.073 0.4 1 91 19 19 GLU CG C 36.598 0.4 1 92 19 19 GLU N N 117.750 0.4 1 93 20 20 GLU H H 7.976 0.02 1 94 20 20 GLU HA H 3.970 0.02 1 95 20 20 GLU HB2 H 2.174 0.02 1 96 20 20 GLU HB3 H 2.174 0.02 1 97 20 20 GLU HG2 H 2.393 0.02 2 98 20 20 GLU HG3 H 2.280 0.02 2 99 20 20 GLU C C 178.755 0.4 1 100 20 20 GLU CA C 59.508 0.4 1 101 20 20 GLU CB C 29.253 0.4 1 102 20 20 GLU CG C 35.901 0.4 1 103 20 20 GLU N N 119.352 0.4 1 104 21 21 LYS H H 8.038 0.02 1 105 21 21 LYS HA H 4.222 0.02 1 106 21 21 LYS HB2 H 2.120 0.02 2 107 21 21 LYS HB3 H 1.750 0.02 2 108 21 21 LYS HG2 H 1.592 0.02 1 109 21 21 LYS HG3 H 1.592 0.02 1 110 21 21 LYS HD2 H 1.763 0.02 1 111 21 21 LYS HD3 H 1.763 0.02 1 112 21 21 LYS HE2 H 2.978 0.02 1 113 21 21 LYS HE3 H 2.978 0.02 1 114 21 21 LYS C C 181.212 0.4 1 115 21 21 LYS CA C 59.186 0.4 1 116 21 21 LYS CB C 33.541 0.4 1 117 21 21 LYS CG C 25.619 0.4 1 118 21 21 LYS CD C 29.317 0.4 1 119 21 21 LYS CE C 42.025 0.4 1 120 21 21 LYS N N 117.785 0.4 1 121 22 22 LEU H H 8.889 0.02 1 122 22 22 LEU HA H 4.137 0.02 1 123 22 22 LEU HB2 H 1.375 0.02 1 124 22 22 LEU HB3 H 1.375 0.02 1 125 22 22 LEU HG H 1.832 0.02 1 126 22 22 LEU HD1 H 0.889 0.02 1 127 22 22 LEU HD2 H 0.807 0.02 1 128 22 22 LEU C C 179.292 0.4 1 129 22 22 LEU CA C 57.978 0.4 1 130 22 22 LEU CB C 43.036 0.4 1 131 22 22 LEU CG C 26.979 0.4 1 132 22 22 LEU CD1 C 26.102 0.4 1 133 22 22 LEU CD2 C 23.070 0.4 1 134 22 22 LEU N N 121.972 0.4 1 135 23 23 ARG H H 8.649 0.02 1 136 23 23 ARG HA H 3.948 0.02 1 137 23 23 ARG HB2 H 2.019 0.02 1 138 23 23 ARG HB3 H 2.019 0.02 1 139 23 23 ARG HG2 H 1.895 0.02 1 140 23 23 ARG HG3 H 1.895 0.02 1 141 23 23 ARG HD2 H 3.209 0.02 1 142 23 23 ARG HD3 H 3.209 0.02 1 143 23 23 ARG C C 178.821 0.4 1 144 23 23 ARG CA C 60.030 0.4 1 145 23 23 ARG CB C 29.696 0.4 1 146 23 23 ARG CG C 28.193 0.4 1 147 23 23 ARG CD C 43.208 0.4 1 148 23 23 ARG N N 122.828 0.4 1 149 24 24 ASP H H 8.322 0.02 1 150 24 24 ASP HA H 4.379 0.02 1 151 24 24 ASP HB2 H 2.724 0.02 2 152 24 24 ASP HB3 H 2.829 0.02 2 153 24 24 ASP C C 178.157 0.4 1 154 24 24 ASP CA C 57.301 0.4 1 155 24 24 ASP CB C 40.267 0.4 1 156 24 24 ASP N N 119.701 0.4 1 157 25 25 PHE H H 8.401 0.02 1 158 25 25 PHE HA H 4.323 0.02 1 159 25 25 PHE HB2 H 3.456 0.02 2 160 25 25 PHE HB3 H 3.344 0.02 2 161 25 25 PHE HD1 H 7.253 0.02 1 162 25 25 PHE HD2 H 7.253 0.02 1 163 25 25 PHE HE1 H 7.124 0.02 1 164 25 25 PHE HE2 H 7.124 0.02 1 165 25 25 PHE HZ H 7.212 0.02 1 166 25 25 PHE C C 176.430 0.4 1 167 25 25 PHE CA C 61.304 0.4 1 168 25 25 PHE CB C 40.141 0.4 1 169 25 25 PHE CD1 C 131.476 0.4 1 170 25 25 PHE CD2 C 131.476 0.4 1 171 25 25 PHE CE1 C 132.340 0.4 1 172 25 25 PHE CE2 C 132.340 0.4 1 173 25 25 PHE CZ C 130.749 0.4 1 174 25 25 PHE N N 122.005 0.4 1 175 26 26 THR H H 8.478 0.02 1 176 26 26 THR HA H 3.850 0.02 1 177 26 26 THR HB H 4.245 0.02 1 178 26 26 THR HG1 H 4.758 0.02 1 179 26 26 THR HG2 H 1.472 0.02 1 180 26 26 THR C C 175.828 0.4 1 181 26 26 THR CA C 65.624 0.4 1 182 26 26 THR CB C 68.479 0.4 1 183 26 26 THR CG2 C 23.453 0.4 1 184 26 26 THR N N 109.582 0.4 1 185 27 27 ARG H H 7.765 0.02 1 186 27 27 ARG HA H 4.130 0.02 1 187 27 27 ARG HB2 H 1.902 0.02 1 188 27 27 ARG HB3 H 1.902 0.02 1 189 27 27 ARG HG2 H 1.741 0.02 2 190 27 27 ARG HG3 H 1.606 0.02 2 191 27 27 ARG HD2 H 3.213 0.02 1 192 27 27 ARG HD3 H 3.213 0.02 1 193 27 27 ARG C C 178.433 0.4 1 194 27 27 ARG CA C 58.214 0.4 1 195 27 27 ARG CB C 30.113 0.4 1 196 27 27 ARG CG C 27.022 0.4 1 197 27 27 ARG CD C 43.105 0.4 1 198 27 27 ARG N N 119.629 0.4 1 199 28 28 ALA H H 7.819 0.02 1 200 28 28 ALA HA H 3.865 0.02 1 201 28 28 ALA HB H 0.651 0.02 1 202 28 28 ALA C C 179.416 0.4 1 203 28 28 ALA CA C 54.036 0.4 1 204 28 28 ALA CB C 17.734 0.4 1 205 28 28 ALA N N 119.042 0.4 1 206 29 29 TYR H H 7.191 0.02 1 207 29 29 TYR HA H 4.117 0.02 1 208 29 29 TYR HB2 H 3.135 0.02 1 209 29 29 TYR HB3 H 3.135 0.02 1 210 29 29 TYR HD1 H 6.551 0.02 1 211 29 29 TYR HD2 H 6.551 0.02 1 212 29 29 TYR HE1 H 6.698 0.02 1 213 29 29 TYR HE2 H 6.698 0.02 1 214 29 29 TYR C C 174.622 0.4 1 215 29 29 TYR CA C 56.311 0.4 1 216 29 29 TYR CB C 39.212 0.4 1 217 29 29 TYR CD1 C 133.590 0.4 1 218 29 29 TYR CD2 C 133.590 0.4 1 219 29 29 TYR CE1 C 117.049 0.4 1 220 29 29 TYR CE2 C 117.049 0.4 1 221 29 29 TYR N N 110.392 0.4 1 222 30 30 GLU H H 7.487 0.02 1 223 30 30 GLU HA H 4.357 0.02 1 224 30 30 GLU HB2 H 2.281 0.02 1 225 30 30 GLU HB3 H 2.281 0.02 1 226 30 30 GLU HG2 H 2.516 0.02 2 227 30 30 GLU HG3 H 2.135 0.02 2 228 30 30 GLU CA C 54.973 0.4 1 229 30 30 GLU CB C 27.404 0.4 1 230 30 30 GLU CG C 34.661 0.4 1 231 30 30 GLU N N 120.854 0.4 1 232 31 31 PRO HA H 4.390 0.02 1 233 31 31 PRO HB2 H 2.287 0.02 2 234 31 31 PRO HB3 H 1.879 0.02 2 235 31 31 PRO HG2 H 2.029 0.02 1 236 31 31 PRO HG3 H 2.029 0.02 1 237 31 31 PRO HD2 H 3.699 0.02 2 238 31 31 PRO HD3 H 3.414 0.02 2 239 31 31 PRO CA C 63.515 0.4 1 240 31 31 PRO CB C 31.905 0.4 1 241 31 31 PRO CG C 27.362 0.4 1 242 31 31 PRO CD C 50.275 0.4 1 243 32 32 ASP H H 8.776 0.02 1 244 32 32 ASP HA H 4.579 0.02 1 245 32 32 ASP HB2 H 2.759 0.02 2 246 32 32 ASP HB3 H 2.651 0.02 2 247 32 32 ASP C C 177.288 0.4 1 248 32 32 ASP CA C 55.743 0.4 1 249 32 32 ASP CB C 40.510 0.4 1 250 32 32 ASP N N 115.549 0.4 1 251 33 33 SER H H 8.450 0.02 1 252 33 33 SER HA H 4.520 0.02 1 253 33 33 SER HB2 H 3.976 0.02 2 254 33 33 SER HB3 H 3.857 0.02 2 255 33 33 SER C C 173.798 0.4 1 256 33 33 SER CA C 59.163 0.4 1 257 33 33 SER CB C 64.521 0.4 1 258 33 33 SER N N 115.211 0.4 1 259 34 34 VAL H H 7.405 0.02 1 260 34 34 VAL HA H 4.536 0.02 1 261 34 34 VAL HB H 2.179 0.02 1 262 34 34 VAL HG1 H 1.027 0.02 1 263 34 34 VAL HG2 H 0.914 0.02 1 264 34 34 VAL C C 174.965 0.4 1 265 34 34 VAL CA C 59.457 0.4 1 266 34 34 VAL CB C 34.614 0.4 1 267 34 34 VAL CG1 C 22.297 0.4 1 268 34 34 VAL CG2 C 19.631 0.4 1 269 34 34 VAL N N 115.417 0.4 1 270 35 35 LEU H H 7.959 0.02 1 271 35 35 LEU HA H 4.439 0.02 1 272 35 35 LEU HB2 H 1.467 0.02 1 273 35 35 LEU HB3 H 1.467 0.02 1 274 35 35 LEU HG H 1.651 0.02 1 275 35 35 LEU HD1 H 0.904 0.02 1 276 35 35 LEU HD2 H 0.870 0.02 1 277 35 35 LEU CA C 53.381 0.4 1 278 35 35 LEU CB C 40.941 0.4 1 279 35 35 LEU CG C 26.615 0.4 1 280 35 35 LEU CD1 C 25.067 0.4 1 281 35 35 LEU CD2 C 23.446 0.4 1 282 35 35 LEU N N 123.375 0.4 1 283 36 36 PRO HA H 4.488 0.02 1 284 36 36 PRO HB2 H 2.294 0.02 2 285 36 36 PRO HB3 H 1.837 0.02 2 286 36 36 PRO HG2 H 2.029 0.02 1 287 36 36 PRO HG3 H 2.029 0.02 1 288 36 36 PRO HD2 H 3.821 0.02 2 289 36 36 PRO HD3 H 3.574 0.02 2 290 36 36 PRO C C 177.096 0.4 1 291 36 36 PRO CA C 62.625 0.4 1 292 36 36 PRO CB C 31.972 0.4 1 293 36 36 PRO CG C 27.290 0.4 1 294 36 36 PRO CD C 50.295 0.4 1 295 37 37 LEU H H 8.445 0.02 1 296 37 37 LEU HA H 4.271 0.02 1 297 37 37 LEU HB2 H 1.549 0.02 1 298 37 37 LEU HB3 H 1.549 0.02 1 299 37 37 LEU HG H 1.808 0.02 1 300 37 37 LEU HD1 H 0.890 0.02 1 301 37 37 LEU HD2 H 0.718 0.02 1 302 37 37 LEU C C 179.278 0.4 1 303 37 37 LEU CA C 54.601 0.4 1 304 37 37 LEU CB C 41.009 0.4 1 305 37 37 LEU CG C 27.520 0.4 1 306 37 37 LEU CD1 C 26.198 0.4 1 307 37 37 LEU CD2 C 23.286 0.4 1 308 37 37 LEU N N 123.795 0.4 1 309 38 38 ALA H H 8.063 0.02 1 310 38 38 ALA N N 124.879 0.4 1 311 40 40 GLY H H 8.501 0.02 1 312 40 40 GLY HA2 H 3.939 0.02 1 313 40 40 GLY HA3 H 3.939 0.02 1 314 40 40 GLY C C 177.071 0.4 1 315 40 40 GLY CA C 47.194 0.4 1 316 40 40 GLY N N 109.692 0.4 1 317 41 41 VAL H H 7.972 0.02 1 318 41 41 VAL HA H 3.953 0.02 1 319 41 41 VAL HB H 2.063 0.02 1 320 41 41 VAL HG1 H 1.001 0.02 1 321 41 41 VAL HG2 H 1.030 0.02 1 322 41 41 VAL C C 178.432 0.4 1 323 41 41 VAL CA C 66.040 0.4 1 324 41 41 VAL CB C 31.680 0.4 1 325 41 41 VAL CG1 C 20.777 0.4 1 326 41 41 VAL CG2 C 22.020 0.4 1 327 41 41 VAL N N 123.473 0.4 1 328 42 42 LEU H H 8.449 0.02 1 329 42 42 LEU HA H 4.145 0.02 1 330 42 42 LEU HB2 H 1.973 0.02 2 331 42 42 LEU HB3 H 1.481 0.02 2 332 42 42 LEU HG H 1.959 0.02 1 333 42 42 LEU HD1 H 1.102 0.02 1 334 42 42 LEU HD2 H 0.977 0.02 1 335 42 42 LEU C C 178.883 0.4 1 336 42 42 LEU CA C 57.749 0.4 1 337 42 42 LEU CB C 40.871 0.4 1 338 42 42 LEU CG C 26.593 0.4 1 339 42 42 LEU CD1 C 27.879 0.4 1 340 42 42 LEU CD2 C 22.741 0.4 1 341 42 42 LEU N N 119.328 0.4 1 342 43 43 SER H H 8.921 0.02 1 343 43 43 SER HA H 4.402 0.02 1 344 43 43 SER HB2 H 3.895 0.02 2 345 43 43 SER HB3 H 4.078 0.02 2 346 43 43 SER C C 177.162 0.4 1 347 43 43 SER CA C 61.507 0.4 1 348 43 43 SER CB C 62.801 0.4 1 349 43 43 SER N N 112.921 0.4 1 350 44 44 PHE H H 7.841 0.02 1 351 44 44 PHE HA H 4.494 0.02 1 352 44 44 PHE HB2 H 3.530 0.02 2 353 44 44 PHE HB3 H 3.370 0.02 2 354 44 44 PHE HD1 H 7.319 0.02 1 355 44 44 PHE HD2 H 7.319 0.02 1 356 44 44 PHE C C 177.955 0.4 1 357 44 44 PHE CA C 60.899 0.4 1 358 44 44 PHE CB C 38.482 0.4 1 359 44 44 PHE CD1 C 131.775 0.4 1 360 44 44 PHE CD2 C 131.775 0.4 1 361 44 44 PHE N N 122.641 0.4 1 362 45 45 ILE H H 8.674 0.02 1 363 45 45 ILE HA H 3.525 0.02 1 364 45 45 ILE HB H 2.001 0.02 1 365 45 45 ILE HG12 H 2.233 0.02 2 366 45 45 ILE HG13 H 1.198 0.02 2 367 45 45 ILE HG2 H 0.892 0.02 1 368 45 45 ILE HD1 H 0.900 0.02 1 369 45 45 ILE C C 177.166 0.4 1 370 45 45 ILE CA C 66.465 0.4 1 371 45 45 ILE CB C 38.558 0.4 1 372 45 45 ILE CG1 C 29.015 0.4 1 373 45 45 ILE CG2 C 17.822 0.4 1 374 45 45 ILE CD1 C 14.612 0.4 1 375 45 45 ILE N N 121.438 0.4 1 376 46 46 HIS H H 8.923 0.02 1 377 46 46 HIS HA H 4.268 0.02 1 378 46 46 HIS HB2 H 3.240 0.02 2 379 46 46 HIS HB3 H 3.928 0.02 2 380 46 46 HIS HE1 H 7.598 0.02 1 381 46 46 HIS C C 176.820 0.4 1 382 46 46 HIS CA C 58.449 0.4 1 383 46 46 HIS CB C 32.810 0.4 1 384 46 46 HIS CE1 C 137.387 0.4 1 385 46 46 HIS N N 119.825 0.4 1 386 47 47 HIS H H 8.232 0.02 1 387 47 47 HIS HA H 3.752 0.02 1 388 47 47 HIS HB2 H 3.214 0.02 1 389 47 47 HIS HB3 H 3.214 0.02 1 390 47 47 HIS C C 178.190 0.4 1 391 47 47 HIS CA C 60.756 0.4 1 392 47 47 HIS CB C 29.665 0.4 1 393 47 47 HIS N N 116.358 0.4 1 394 48 48 GLN H H 8.443 0.02 1 395 48 48 GLN HA H 3.890 0.02 1 396 48 48 GLN HB2 H 1.904 0.02 1 397 48 48 GLN HB3 H 1.904 0.02 1 398 48 48 GLN HG2 H 1.947 0.02 2 399 48 48 GLN HG3 H 1.911 0.02 2 400 48 48 GLN HE21 H 6.866 0.02 2 401 48 48 GLN HE22 H 6.502 0.02 2 402 48 48 GLN C C 178.515 0.4 1 403 48 48 GLN CA C 58.789 0.4 1 404 48 48 GLN CB C 29.287 0.4 1 405 48 48 GLN CG C 34.367 0.4 1 406 48 48 GLN N N 119.152 0.4 1 407 48 48 GLN NE2 N 112.022 0.4 1 408 49 49 ILE H H 8.788 0.02 1 409 49 49 ILE HA H 3.487 0.02 1 410 49 49 ILE HB H 2.126 0.02 1 411 49 49 ILE HG12 H 1.952 0.02 2 412 49 49 ILE HG13 H 0.933 0.02 2 413 49 49 ILE HG2 H 0.980 0.02 1 414 49 49 ILE HD1 H 0.826 0.02 1 415 49 49 ILE C C 177.429 0.4 1 416 49 49 ILE CA C 65.556 0.4 1 417 49 49 ILE CB C 37.700 0.4 1 418 49 49 ILE CG1 C 29.239 0.4 1 419 49 49 ILE CG2 C 17.991 0.4 1 420 49 49 ILE CD1 C 17.222 0.4 1 421 49 49 ILE N N 119.692 0.4 1 422 50 50 ILE H H 7.654 0.02 1 423 50 50 ILE HA H 3.934 0.02 1 424 50 50 ILE HB H 2.269 0.02 1 425 50 50 ILE HG12 H 2.037 0.02 2 426 50 50 ILE HG13 H 1.339 0.02 2 427 50 50 ILE HG2 H 0.952 0.02 1 428 50 50 ILE HD1 H 0.680 0.02 1 429 50 50 ILE C C 178.080 0.4 1 430 50 50 ILE CA C 61.941 0.4 1 431 50 50 ILE CB C 34.261 0.4 1 432 50 50 ILE CG1 C 27.105 0.4 1 433 50 50 ILE CG2 C 17.210 0.4 1 434 50 50 ILE CD1 C 8.937 0.4 1 435 50 50 ILE N N 118.036 0.4 1 436 51 51 GLU H H 8.212 0.02 1 437 51 51 GLU HA H 4.069 0.02 1 438 51 51 GLU HB2 H 2.089 0.02 1 439 51 51 GLU HB3 H 2.089 0.02 1 440 51 51 GLU HG2 H 2.270 0.02 2 441 51 51 GLU HG3 H 2.223 0.02 2 442 51 51 GLU C C 179.960 0.4 1 443 51 51 GLU CA C 59.383 0.4 1 444 51 51 GLU CB C 28.852 0.4 1 445 51 51 GLU CG C 35.937 0.4 1 446 51 51 GLU N N 120.185 0.4 1 447 52 52 LEU H H 8.554 0.02 1 448 52 52 LEU HA H 4.127 0.02 1 449 52 52 LEU HB2 H 1.288 0.02 2 450 52 52 LEU HB3 H 2.034 0.02 2 451 52 52 LEU HG H 1.910 0.02 1 452 52 52 LEU HD1 H 0.714 0.02 1 453 52 52 LEU HD2 H 0.864 0.02 1 454 52 52 LEU C C 179.673 0.4 1 455 52 52 LEU CA C 57.834 0.4 1 456 52 52 LEU CB C 40.970 0.4 1 457 52 52 LEU CG C 26.995 0.4 1 458 52 52 LEU CD1 C 25.810 0.4 1 459 52 52 LEU CD2 C 22.122 0.4 1 460 52 52 LEU N N 121.518 0.4 1 461 53 53 ALA H H 8.282 0.02 1 462 53 53 ALA HA H 3.942 0.02 1 463 53 53 ALA HB H 1.646 0.02 1 464 53 53 ALA C C 179.347 0.4 1 465 53 53 ALA CA C 55.480 0.4 1 466 53 53 ALA CB C 18.978 0.4 1 467 53 53 ALA N N 122.249 0.4 1 468 54 54 ARG H H 8.686 0.02 1 469 54 54 ARG HA H 3.924 0.02 1 470 54 54 ARG HB2 H 2.017 0.02 1 471 54 54 ARG HB3 H 2.017 0.02 1 472 54 54 ARG HG2 H 1.896 0.02 2 473 54 54 ARG HG3 H 1.518 0.02 2 474 54 54 ARG HD2 H 3.266 0.02 1 475 54 54 ARG HD3 H 3.266 0.02 1 476 54 54 ARG C C 177.350 0.4 1 477 54 54 ARG CA C 60.031 0.4 1 478 54 54 ARG CB C 30.125 0.4 1 479 54 54 ARG CG C 28.004 0.4 1 480 54 54 ARG CD C 43.136 0.4 1 481 54 54 ARG N N 117.448 0.4 1 482 55 55 ASP H H 8.517 0.02 1 483 55 55 ASP HA H 4.372 0.02 1 484 55 55 ASP HB2 H 2.874 0.02 1 485 55 55 ASP HB3 H 2.874 0.02 1 486 55 55 ASP C C 176.782 0.4 1 487 55 55 ASP CA C 57.586 0.4 1 488 55 55 ASP CB C 42.003 0.4 1 489 55 55 ASP N N 121.167 0.4 1 490 56 56 CYS H H 8.351 0.02 1 491 56 56 CYS HA H 4.113 0.02 1 492 56 56 CYS HB2 H 3.166 0.02 2 493 56 56 CYS HB3 H 3.125 0.02 2 494 56 56 CYS C C 176.424 0.4 1 495 56 56 CYS CA C 62.310 0.4 1 496 56 56 CYS CB C 25.865 0.4 1 497 56 56 CYS N N 120.225 0.4 1 498 57 57 LEU H H 8.100 0.02 1 499 57 57 LEU HA H 3.959 0.02 1 500 57 57 LEU HB2 H 1.633 0.02 2 501 57 57 LEU HB3 H 2.129 0.02 2 502 57 57 LEU HG H 1.627 0.02 1 503 57 57 LEU HD1 H 1.048 0.02 1 504 57 57 LEU HD2 H 0.952 0.02 1 505 57 57 LEU C C 178.068 0.4 1 506 57 57 LEU CA C 58.383 0.4 1 507 57 57 LEU CB C 41.645 0.4 1 508 57 57 LEU CG C 27.128 0.4 1 509 57 57 LEU CD1 C 23.583 0.4 1 510 57 57 LEU CD2 C 25.681 0.4 1 511 57 57 LEU N N 120.137 0.4 1 512 58 58 THR H H 8.270 0.02 1 513 58 58 THR HA H 3.755 0.02 1 514 58 58 THR HB H 4.310 0.02 1 515 58 58 THR HG2 H 1.214 0.02 1 516 58 58 THR C C 176.042 0.4 1 517 58 58 THR CA C 66.492 0.4 1 518 58 58 THR CB C 68.481 0.4 1 519 58 58 THR CG2 C 21.854 0.4 1 520 58 58 THR N N 116.478 0.4 1 521 59 59 LYS H H 8.575 0.02 1 522 59 59 LYS HA H 3.777 0.02 1 523 59 59 LYS HB2 H 1.583 0.02 2 524 59 59 LYS HB3 H 0.996 0.02 2 525 59 59 LYS HG2 H 1.232 0.02 2 526 59 59 LYS HG3 H 1.025 0.02 2 527 59 59 LYS HD2 H 1.048 0.02 1 528 59 59 LYS HD3 H 1.048 0.02 1 529 59 59 LYS HE2 H 2.849 0.02 2 530 59 59 LYS HE3 H 2.767 0.02 2 531 59 59 LYS C C 179.018 0.4 1 532 59 59 LYS CA C 59.438 0.4 1 533 59 59 LYS CB C 32.037 0.4 1 534 59 59 LYS CG C 26.115 0.4 1 535 59 59 LYS CD C 28.144 0.4 1 536 59 59 LYS CE C 42.162 0.4 1 537 59 59 LYS N N 120.541 0.4 1 538 60 60 SER H H 8.393 0.02 1 539 60 60 SER HA H 4.037 0.02 1 540 60 60 SER HB2 H 4.143 0.02 1 541 60 60 SER HB3 H 4.143 0.02 1 542 60 60 SER HG H 3.814 0.02 1 543 60 60 SER C C 178.741 0.4 1 544 60 60 SER CA C 61.673 0.4 1 545 60 60 SER CB C 62.947 0.4 1 546 60 60 SER N N 114.162 0.4 1 547 61 61 ARG H H 8.267 0.02 1 548 61 61 ARG HA H 4.046 0.02 1 549 61 61 ARG HB2 H 1.953 0.02 1 550 61 61 ARG HB3 H 1.953 0.02 1 551 61 61 ARG HG2 H 1.825 0.02 2 552 61 61 ARG HG3 H 1.644 0.02 2 553 61 61 ARG HD2 H 3.185 0.02 2 554 61 61 ARG HD3 H 3.079 0.02 2 555 61 61 ARG C C 178.559 0.4 1 556 61 61 ARG CA C 58.820 0.4 1 557 61 61 ARG CB C 29.716 0.4 1 558 61 61 ARG CG C 26.589 0.4 1 559 61 61 ARG CD C 43.317 0.4 1 560 61 61 ARG N N 121.639 0.4 1 561 62 62 ASP H H 8.003 0.02 1 562 62 62 ASP HA H 4.686 0.02 1 563 62 62 ASP HB2 H 2.544 0.02 2 564 62 62 ASP HB3 H 2.783 0.02 2 565 62 62 ASP C C 176.478 0.4 1 566 62 62 ASP CA C 54.435 0.4 1 567 62 62 ASP CB C 40.882 0.4 1 568 62 62 ASP N N 116.627 0.4 1 569 63 63 GLY H H 7.879 0.02 1 570 63 63 GLY HA2 H 4.023 0.02 2 571 63 63 GLY HA3 H 3.975 0.02 2 572 63 63 GLY C C 175.829 0.4 1 573 63 63 GLY CA C 46.735 0.4 1 574 63 63 GLY N N 109.533 0.4 1 575 64 64 LEU H H 8.346 0.02 1 576 64 64 LEU HA H 4.452 0.02 1 577 64 64 LEU HB2 H 1.306 0.02 2 578 64 64 LEU HB3 H 1.648 0.02 2 579 64 64 LEU HG H 1.375 0.02 1 580 64 64 LEU HD1 H 0.902 0.02 1 581 64 64 LEU HD2 H 0.787 0.02 1 582 64 64 LEU C C 176.711 0.4 1 583 64 64 LEU CA C 53.693 0.4 1 584 64 64 LEU CB C 43.264 0.4 1 585 64 64 LEU CG C 25.974 0.4 1 586 64 64 LEU CD1 C 25.518 0.4 1 587 64 64 LEU CD2 C 22.078 0.4 1 588 64 64 LEU N N 118.282 0.4 1 589 65 65 ILE H H 7.727 0.02 1 590 65 65 ILE HA H 3.549 0.02 1 591 65 65 ILE HB H 1.772 0.02 1 592 65 65 ILE HG12 H 1.235 0.02 2 593 65 65 ILE HG13 H 0.868 0.02 2 594 65 65 ILE HG2 H 0.608 0.02 1 595 65 65 ILE HD1 H 0.658 0.02 1 596 65 65 ILE C C 175.266 0.4 1 597 65 65 ILE CA C 62.039 0.4 1 598 65 65 ILE CB C 36.582 0.4 1 599 65 65 ILE CG1 C 27.882 0.4 1 600 65 65 ILE CG2 C 17.975 0.4 1 601 65 65 ILE CD1 C 12.899 0.4 1 602 65 65 ILE N N 120.157 0.4 1 603 66 66 THR H H 6.767 0.02 1 604 66 66 THR HA H 4.932 0.02 1 605 66 66 THR HB H 4.714 0.02 1 606 66 66 THR HG2 H 1.214 0.02 1 607 66 66 THR CA C 59.138 0.4 1 608 66 66 THR CB C 72.447 0.4 1 609 66 66 THR CG2 C 21.370 0.4 1 610 66 66 THR N N 115.818 0.4 1 611 67 67 THR HA H 4.089 0.02 1 612 67 67 THR HB H 4.227 0.02 1 613 67 67 THR HG2 H 1.293 0.02 1 614 67 67 THR C C 176.590 0.4 1 615 67 67 THR CA C 66.384 0.4 1 616 67 67 THR CB C 68.392 0.4 1 617 67 67 THR CG2 C 22.446 0.4 1 618 68 68 VAL H H 7.703 0.02 1 619 68 68 VAL HA H 3.937 0.02 1 620 68 68 VAL HB H 2.058 0.02 1 621 68 68 VAL HG1 H 0.973 0.02 1 622 68 68 VAL HG2 H 1.041 0.02 1 623 68 68 VAL C C 177.125 0.4 1 624 68 68 VAL CA C 65.315 0.4 1 625 68 68 VAL CB C 31.768 0.4 1 626 68 68 VAL CG1 C 20.687 0.4 1 627 68 68 VAL CG2 C 21.920 0.4 1 628 68 68 VAL N N 119.126 0.4 1 629 69 69 TYR H H 7.849 0.02 1 630 69 69 TYR HA H 4.203 0.02 1 631 69 69 TYR HB2 H 3.241 0.02 2 632 69 69 TYR HB3 H 2.883 0.02 2 633 69 69 TYR HD1 H 6.724 0.02 1 634 69 69 TYR HD2 H 6.724 0.02 1 635 69 69 TYR HE1 H 6.701 0.02 1 636 69 69 TYR HE2 H 6.701 0.02 1 637 69 69 TYR C C 177.860 0.4 1 638 69 69 TYR CA C 61.348 0.4 1 639 69 69 TYR CB C 38.058 0.4 1 640 69 69 TYR CD1 C 132.804 0.4 1 641 69 69 TYR CD2 C 132.804 0.4 1 642 69 69 TYR CE1 C 117.974 0.4 1 643 69 69 TYR CE2 C 117.974 0.4 1 644 69 69 TYR N N 122.155 0.4 1 645 70 70 PHE H H 7.989 0.02 1 646 70 70 PHE HA H 4.180 0.02 1 647 70 70 PHE HB2 H 3.105 0.02 1 648 70 70 PHE HB3 H 3.105 0.02 1 649 70 70 PHE HD1 H 7.203 0.02 1 650 70 70 PHE HD2 H 7.203 0.02 1 651 70 70 PHE HE1 H 7.272 0.02 1 652 70 70 PHE HE2 H 7.272 0.02 1 653 70 70 PHE HZ H 7.143 0.02 1 654 70 70 PHE C C 178.290 0.4 1 655 70 70 PHE CA C 61.323 0.4 1 656 70 70 PHE CB C 38.571 0.4 1 657 70 70 PHE CD1 C 130.749 0.4 1 658 70 70 PHE CD2 C 130.749 0.4 1 659 70 70 PHE CE1 C 131.319 0.4 1 660 70 70 PHE CE2 C 131.319 0.4 1 661 70 70 PHE CZ C 129.460 0.4 1 662 70 70 PHE N N 117.021 0.4 1 663 71 71 TYR H H 8.130 0.02 1 664 71 71 TYR HA H 4.270 0.02 1 665 71 71 TYR HB2 H 3.200 0.02 1 666 71 71 TYR HB3 H 3.200 0.02 1 667 71 71 TYR HD1 H 7.138 0.02 1 668 71 71 TYR HD2 H 7.138 0.02 1 669 71 71 TYR HE1 H 6.796 0.02 1 670 71 71 TYR HE2 H 6.796 0.02 1 671 71 71 TYR C C 178.437 0.4 1 672 71 71 TYR CA C 60.904 0.4 1 673 71 71 TYR CB C 37.400 0.4 1 674 71 71 TYR CD1 C 132.705 0.4 1 675 71 71 TYR CD2 C 132.705 0.4 1 676 71 71 TYR CE1 C 118.070 0.4 1 677 71 71 TYR CE2 C 118.070 0.4 1 678 71 71 TYR N N 120.333 0.4 1 679 72 72 GLU H H 8.318 0.02 1 680 72 72 GLU HA H 3.931 0.02 1 681 72 72 GLU HB2 H 2.091 0.02 2 682 72 72 GLU HB3 H 1.936 0.02 2 683 72 72 GLU HG2 H 2.551 0.02 2 684 72 72 GLU HG3 H 2.211 0.02 2 685 72 72 GLU C C 178.871 0.4 1 686 72 72 GLU CA C 59.159 0.4 1 687 72 72 GLU CB C 28.953 0.4 1 688 72 72 GLU CG C 36.634 0.4 1 689 72 72 GLU N N 120.863 0.4 1 690 73 73 LEU H H 8.350 0.02 1 691 73 73 LEU HA H 4.049 0.02 1 692 73 73 LEU HB2 H 1.130 0.02 2 693 73 73 LEU HB3 H 1.684 0.02 2 694 73 73 LEU HG H 1.339 0.02 1 695 73 73 LEU HD1 H 0.922 0.02 1 696 73 73 LEU HD2 H 0.951 0.02 1 697 73 73 LEU C C 178.407 0.4 1 698 73 73 LEU CA C 57.784 0.4 1 699 73 73 LEU CB C 41.066 0.4 1 700 73 73 LEU CG C 27.147 0.4 1 701 73 73 LEU CD1 C 24.374 0.4 1 702 73 73 LEU CD2 C 26.822 0.4 1 703 73 73 LEU N N 122.259 0.4 1 704 74 74 GLN H H 8.179 0.02 1 705 74 74 GLN HA H 3.654 0.02 1 706 74 74 GLN HB2 H 2.026 0.02 1 707 74 74 GLN HB3 H 2.026 0.02 1 708 74 74 GLN HG2 H 2.252 0.02 2 709 74 74 GLN HG3 H 2.107 0.02 2 710 74 74 GLN HE21 H 7.425 0.02 2 711 74 74 GLN HE22 H 6.738 0.02 2 712 74 74 GLN C C 177.704 0.4 1 713 74 74 GLN CA C 59.884 0.4 1 714 74 74 GLN CB C 27.562 0.4 1 715 74 74 GLN CG C 33.531 0.4 1 716 74 74 GLN N N 118.256 0.4 1 717 74 74 GLN NE2 N 110.792 0.4 1 718 75 75 GLU H H 7.953 0.02 1 719 75 75 GLU HA H 3.964 0.02 1 720 75 75 GLU HB2 H 1.995 0.02 1 721 75 75 GLU HB3 H 1.995 0.02 1 722 75 75 GLU HG2 H 2.241 0.02 2 723 75 75 GLU HG3 H 2.060 0.02 2 724 75 75 GLU C C 179.379 0.4 1 725 75 75 GLU CA C 59.346 0.4 1 726 75 75 GLU CB C 29.340 0.4 1 727 75 75 GLU CG C 36.337 0.4 1 728 75 75 GLU N N 118.569 0.4 1 729 76 76 ASN H H 8.388 0.02 1 730 76 76 ASN HA H 4.479 0.02 1 731 76 76 ASN HB2 H 2.946 0.02 2 732 76 76 ASN HB3 H 2.734 0.02 2 733 76 76 ASN HD21 H 7.158 0.02 2 734 76 76 ASN HD22 H 7.080 0.02 2 735 76 76 ASN C C 178.489 0.4 1 736 76 76 ASN CA C 55.595 0.4 1 737 76 76 ASN CB C 38.242 0.4 1 738 76 76 ASN N N 119.198 0.4 1 739 76 76 ASN ND2 N 111.196 0.4 1 740 77 77 LEU H H 8.563 0.02 1 741 77 77 LEU HA H 3.954 0.02 1 742 77 77 LEU HB2 H 2.031 0.02 2 743 77 77 LEU HB3 H 1.282 0.02 2 744 77 77 LEU HG H 1.856 0.02 1 745 77 77 LEU HD1 H 0.714 0.02 1 746 77 77 LEU HD2 H 0.873 0.02 1 747 77 77 LEU C C 178.087 0.4 1 748 77 77 LEU CA C 57.891 0.4 1 749 77 77 LEU CB C 40.991 0.4 1 750 77 77 LEU CG C 26.903 0.4 1 751 77 77 LEU CD1 C 25.804 0.4 1 752 77 77 LEU CD2 C 24.041 0.4 1 753 77 77 LEU N N 120.441 0.4 1 754 78 78 GLU H H 8.412 0.02 1 755 78 78 GLU HA H 3.917 0.02 1 756 78 78 GLU HB2 H 1.998 0.02 2 757 78 78 GLU HB3 H 2.130 0.02 2 758 78 78 GLU HG2 H 2.504 0.02 2 759 78 78 GLU HG3 H 2.196 0.02 2 760 78 78 GLU C C 179.593 0.4 1 761 78 78 GLU CA C 59.633 0.4 1 762 78 78 GLU CB C 29.003 0.4 1 763 78 78 GLU CG C 36.859 0.4 1 764 78 78 GLU N N 118.468 0.4 1 765 79 79 LYS H H 7.805 0.02 1 766 79 79 LYS HA H 4.110 0.02 1 767 79 79 LYS HB2 H 2.075 0.02 2 768 79 79 LYS HB3 H 1.965 0.02 2 769 79 79 LYS HG2 H 1.568 0.02 2 770 79 79 LYS HG3 H 1.484 0.02 2 771 79 79 LYS HD2 H 1.753 0.02 2 772 79 79 LYS HD3 H 1.653 0.02 2 773 79 79 LYS HE2 H 2.987 0.02 1 774 79 79 LYS HE3 H 2.987 0.02 1 775 79 79 LYS C C 178.411 0.4 1 776 79 79 LYS CA C 59.226 0.4 1 777 79 79 LYS CB C 31.805 0.4 1 778 79 79 LYS CG C 25.021 0.4 1 779 79 79 LYS CD C 28.734 0.4 1 780 79 79 LYS CE C 42.109 0.4 1 781 79 79 LYS N N 121.251 0.4 1 782 80 80 LEU H H 7.853 0.02 1 783 80 80 LEU HA H 4.104 0.02 1 784 80 80 LEU HB2 H 1.271 0.02 2 785 80 80 LEU HB3 H 2.035 0.02 2 786 80 80 LEU HG H 1.916 0.02 1 787 80 80 LEU HD1 H 0.753 0.02 1 788 80 80 LEU HD2 H 0.944 0.02 1 789 80 80 LEU C C 178.933 0.4 1 790 80 80 LEU CA C 57.779 0.4 1 791 80 80 LEU CB C 41.010 0.4 1 792 80 80 LEU CG C 26.684 0.4 1 793 80 80 LEU CD1 C 26.479 0.4 1 794 80 80 LEU CD2 C 22.558 0.4 1 795 80 80 LEU N N 119.584 0.4 1 796 81 81 LEU H H 8.102 0.02 1 797 81 81 LEU HA H 3.736 0.02 1 798 81 81 LEU HB2 H 1.950 0.02 2 799 81 81 LEU HB3 H 1.632 0.02 2 800 81 81 LEU HG H 1.619 0.02 1 801 81 81 LEU HD1 H 0.816 0.02 1 802 81 81 LEU HD2 H 0.905 0.02 1 803 81 81 LEU C C 177.499 0.4 1 804 81 81 LEU CA C 57.841 0.4 1 805 81 81 LEU CB C 41.598 0.4 1 806 81 81 LEU CG C 26.926 0.4 1 807 81 81 LEU CD1 C 24.552 0.4 1 808 81 81 LEU CD2 C 25.198 0.4 1 809 81 81 LEU N N 118.437 0.4 1 810 82 82 GLN H H 7.493 0.02 1 811 82 82 GLN HA H 4.047 0.02 1 812 82 82 GLN HB2 H 2.266 0.02 1 813 82 82 GLN HB3 H 2.266 0.02 1 814 82 82 GLN HG2 H 2.540 0.02 1 815 82 82 GLN HG3 H 2.540 0.02 1 816 82 82 GLN HE21 H 7.860 0.02 2 817 82 82 GLN HE22 H 6.930 0.02 2 818 82 82 GLN C C 179.243 0.4 1 819 82 82 GLN CA C 58.598 0.4 1 820 82 82 GLN CB C 27.775 0.4 1 821 82 82 GLN CG C 33.594 0.4 1 822 82 82 GLN N N 116.386 0.4 1 823 82 82 GLN NE2 N 113.037 0.4 1 824 83 83 ASP H H 8.395 0.02 1 825 83 83 ASP HA H 4.271 0.02 1 826 83 83 ASP HB2 H 2.954 0.02 2 827 83 83 ASP HB3 H 2.475 0.02 2 828 83 83 ASP C C 179.617 0.4 1 829 83 83 ASP CA C 57.153 0.4 1 830 83 83 ASP CB C 39.954 0.4 1 831 83 83 ASP N N 119.830 0.4 1 832 84 84 ALA H H 8.294 0.02 1 833 84 84 ALA HA H 3.840 0.02 1 834 84 84 ALA HB H 1.307 0.02 1 835 84 84 ALA C C 178.833 0.4 1 836 84 84 ALA CA C 54.807 0.4 1 837 84 84 ALA CB C 17.778 0.4 1 838 84 84 ALA N N 123.278 0.4 1 839 85 85 TYR H H 7.935 0.02 1 840 85 85 TYR HA H 4.407 0.02 1 841 85 85 TYR HB2 H 3.235 0.02 2 842 85 85 TYR HB3 H 3.060 0.02 2 843 85 85 TYR HD1 H 7.132 0.02 1 844 85 85 TYR HD2 H 7.132 0.02 1 845 85 85 TYR HE1 H 6.768 0.02 1 846 85 85 TYR HE2 H 6.768 0.02 1 847 85 85 TYR C C 177.759 0.4 1 848 85 85 TYR CA C 59.266 0.4 1 849 85 85 TYR CB C 37.740 0.4 1 850 85 85 TYR CD1 C 132.477 0.4 1 851 85 85 TYR CD2 C 132.477 0.4 1 852 85 85 TYR CE1 C 117.843 0.4 1 853 85 85 TYR CE2 C 117.843 0.4 1 854 85 85 TYR N N 114.067 0.4 1 855 86 86 GLU H H 7.385 0.02 1 856 86 86 GLU HA H 4.269 0.02 1 857 86 86 GLU HB2 H 2.267 0.02 2 858 86 86 GLU HB3 H 2.091 0.02 2 859 86 86 GLU HG2 H 2.665 0.02 2 860 86 86 GLU HG3 H 2.388 0.02 2 861 86 86 GLU C C 177.560 0.4 1 862 86 86 GLU CA C 57.171 0.4 1 863 86 86 GLU CB C 29.921 0.4 1 864 86 86 GLU CG C 36.332 0.4 1 865 86 86 GLU N N 115.784 0.4 1 866 87 87 ARG H H 7.758 0.02 1 867 87 87 ARG HA H 4.526 0.02 1 868 87 87 ARG HD2 H 3.125 0.02 1 869 87 87 ARG HD3 H 3.125 0.02 1 870 87 87 ARG CA C 53.033 0.4 1 871 87 87 ARG CD C 43.362 0.4 1 872 87 87 ARG N N 117.373 0.4 1 873 88 88 SER HA H 4.369 0.02 1 874 88 88 SER HB2 H 3.840 0.02 2 875 88 88 SER HB3 H 3.788 0.02 2 876 88 88 SER C C 174.254 0.4 1 877 88 88 SER CA C 58.551 0.4 1 878 88 88 SER CB C 63.500 0.4 1 879 88 88 SER N N 114.246 0.4 1 880 89 89 GLU H H 8.417 0.02 1 881 89 89 GLU C C 175.195 0.4 1 882 89 89 GLU CA C 59.462 0.4 1 883 89 89 GLU N N 121.712 0.4 1 884 91 91 LEU HA H 4.279 0.02 1 885 91 91 LEU HB2 H 1.877 0.02 2 886 91 91 LEU HB3 H 1.626 0.02 2 887 91 91 LEU HG H 1.798 0.02 1 888 91 91 LEU HD1 H 0.973 0.02 1 889 91 91 LEU HD2 H 0.928 0.02 1 890 91 91 LEU CA C 57.756 0.4 1 891 91 91 LEU CB C 41.236 0.4 1 892 91 91 LEU CG C 27.034 0.4 1 893 91 91 LEU CD1 C 24.931 0.4 1 894 91 91 LEU CD2 C 22.962 0.4 1 895 92 92 GLU HA H 3.920 0.02 1 896 92 92 GLU HB2 H 2.152 0.02 2 897 92 92 GLU HB3 H 2.007 0.02 2 898 92 92 GLU HG2 H 2.495 0.02 2 899 92 92 GLU HG3 H 2.195 0.02 2 900 92 92 GLU CA C 59.679 0.4 1 901 92 92 GLU CB C 28.728 0.4 1 902 92 92 GLU CG C 36.707 0.4 1 903 93 93 VAL HA H 3.466 0.02 1 904 93 93 VAL HB H 2.195 0.02 1 905 93 93 VAL HG1 H 0.900 0.02 1 906 93 93 VAL HG2 H 1.062 0.02 1 907 93 93 VAL C C 179.062 0.4 1 908 93 93 VAL CA C 66.891 0.4 1 909 93 93 VAL CB C 32.086 0.4 1 910 93 93 VAL CG1 C 21.565 0.4 1 911 93 93 VAL CG2 C 24.161 0.4 1 912 94 94 ALA H H 7.914 0.02 1 913 94 94 ALA HA H 4.101 0.02 1 914 94 94 ALA HB H 1.553 0.02 1 915 94 94 ALA C C 178.897 0.4 1 916 94 94 ALA CA C 55.250 0.4 1 917 94 94 ALA CB C 17.562 0.4 1 918 94 94 ALA N N 123.741 0.4 1 919 95 95 PHE H H 7.678 0.02 1 920 95 95 PHE HA H 4.271 0.02 1 921 95 95 PHE HB2 H 3.366 0.02 2 922 95 95 PHE HB3 H 3.156 0.02 2 923 95 95 PHE HD1 H 7.129 0.02 1 924 95 95 PHE HD2 H 7.129 0.02 1 925 95 95 PHE HE1 H 6.744 0.02 1 926 95 95 PHE HE2 H 6.744 0.02 1 927 95 95 PHE HZ H 6.974 0.02 1 928 95 95 PHE C C 177.037 0.4 1 929 95 95 PHE CA C 60.924 0.4 1 930 95 95 PHE CB C 38.793 0.4 1 931 95 95 PHE CD1 C 132.192 0.4 1 932 95 95 PHE CD2 C 132.192 0.4 1 933 95 95 PHE CE1 C 130.402 0.4 1 934 95 95 PHE CE2 C 130.406 0.4 1 935 95 95 PHE CZ C 129.298 0.4 1 936 95 95 PHE N N 118.009 0.4 1 937 96 96 VAL H H 7.990 0.02 1 938 96 96 VAL HA H 3.180 0.02 1 939 96 96 VAL HB H 2.049 0.02 1 940 96 96 VAL HG1 H 0.852 0.02 1 941 96 96 VAL HG2 H 1.190 0.02 1 942 96 96 VAL C C 178.249 0.4 1 943 96 96 VAL CA C 66.817 0.4 1 944 96 96 VAL CB C 31.712 0.4 1 945 96 96 VAL CG1 C 22.634 0.4 1 946 96 96 VAL CG2 C 24.606 0.4 1 947 96 96 VAL N N 116.806 0.4 1 948 97 97 THR H H 8.621 0.02 1 949 97 97 THR HA H 3.679 0.02 1 950 97 97 THR HB H 4.022 0.02 1 951 97 97 THR HG2 H 0.948 0.02 1 952 97 97 THR C C 176.965 0.4 1 953 97 97 THR CA C 66.215 0.4 1 954 97 97 THR CB C 68.557 0.4 1 955 97 97 THR CG2 C 21.863 0.4 1 956 97 97 THR N N 112.405 0.4 1 957 98 98 GLN H H 7.822 0.02 1 958 98 98 GLN HA H 3.977 0.02 1 959 98 98 GLN HB2 H 2.210 0.02 2 960 98 98 GLN HB3 H 1.973 0.02 2 961 98 98 GLN HG2 H 2.528 0.02 2 962 98 98 GLN HG3 H 2.363 0.02 2 963 98 98 GLN HE21 H 7.317 0.02 2 964 98 98 GLN HE22 H 6.827 0.02 2 965 98 98 GLN C C 178.268 0.4 1 966 98 98 GLN CA C 58.607 0.4 1 967 98 98 GLN CB C 27.684 0.4 1 968 98 98 GLN CG C 34.006 0.4 1 969 98 98 GLN N N 120.324 0.4 1 970 98 98 GLN NE2 N 111.438 0.4 1 971 99 99 LEU H H 7.429 0.02 1 972 99 99 LEU HA H 3.699 0.02 1 973 99 99 LEU HB2 H 1.347 0.02 2 974 99 99 LEU HB3 H 1.731 0.02 2 975 99 99 LEU HG H 1.152 0.02 1 976 99 99 LEU HD1 H 0.162 0.02 1 977 99 99 LEU HD2 H -0.031 0.02 1 978 99 99 LEU C C 178.744 0.4 1 979 99 99 LEU CA C 58.110 0.4 1 980 99 99 LEU CB C 41.911 0.4 1 981 99 99 LEU CG C 25.806 0.4 1 982 99 99 LEU CD1 C 26.039 0.4 1 983 99 99 LEU CD2 C 23.320 0.4 1 984 99 99 LEU N N 119.769 0.4 1 985 100 100 VAL H H 7.771 0.02 1 986 100 100 VAL HA H 3.344 0.02 1 987 100 100 VAL HB H 2.138 0.02 1 988 100 100 VAL HG1 H 0.927 0.02 2 989 100 100 VAL HG2 H 0.939 0.02 2 990 100 100 VAL C C 177.627 0.4 1 991 100 100 VAL CA C 67.439 0.4 1 992 100 100 VAL CB C 31.196 0.4 1 993 100 100 VAL CG1 C 22.744 0.4 1 994 100 100 VAL CG2 C 22.665 0.4 1 995 100 100 VAL N N 117.087 0.4 1 996 101 101 LYS H H 8.036 0.02 1 997 101 101 LYS HA H 3.881 0.02 1 998 101 101 LYS HB2 H 1.837 0.02 1 999 101 101 LYS HB3 H 1.837 0.02 1 1000 101 101 LYS HG2 H 1.640 0.02 2 1001 101 101 LYS HG3 H 1.411 0.02 2 1002 101 101 LYS HD2 H 1.635 0.02 1 1003 101 101 LYS HD3 H 1.635 0.02 1 1004 101 101 LYS HE2 H 2.900 0.02 1 1005 101 101 LYS HE3 H 2.900 0.02 1 1006 101 101 LYS C C 179.624 0.4 1 1007 101 101 LYS CA C 60.025 0.4 1 1008 101 101 LYS CB C 32.035 0.4 1 1009 101 101 LYS CG C 25.963 0.4 1 1010 101 101 LYS CD C 29.247 0.4 1 1011 101 101 LYS CE C 42.082 0.4 1 1012 101 101 LYS N N 117.223 0.4 1 1013 102 102 LYS H H 8.314 0.02 1 1014 102 102 LYS HA H 3.948 0.02 1 1015 102 102 LYS HB2 H 1.977 0.02 2 1016 102 102 LYS HB3 H 2.116 0.02 2 1017 102 102 LYS HG2 H 1.747 0.02 2 1018 102 102 LYS HG3 H 1.525 0.02 2 1019 102 102 LYS HD2 H 1.851 0.02 2 1020 102 102 LYS HD3 H 1.518 0.02 2 1021 102 102 LYS HE2 H 2.972 0.02 1 1022 102 102 LYS HE3 H 2.972 0.02 1 1023 102 102 LYS C C 179.195 0.4 1 1024 102 102 LYS CA C 59.546 0.4 1 1025 102 102 LYS CB C 33.067 0.4 1 1026 102 102 LYS CG C 26.311 0.4 1 1027 102 102 LYS CD C 29.663 0.4 1 1028 102 102 LYS CE C 42.170 0.4 1 1029 102 102 LYS N N 118.063 0.4 1 1030 103 103 LEU H H 8.000 0.02 1 1031 103 103 LEU HA H 3.654 0.02 1 1032 103 103 LEU HB2 H 1.731 0.02 2 1033 103 103 LEU HB3 H 1.070 0.02 2 1034 103 103 LEU HG H 1.286 0.02 1 1035 103 103 LEU HD1 H 0.350 0.02 1 1036 103 103 LEU HD2 H 0.748 0.02 1 1037 103 103 LEU C C 178.101 0.4 1 1038 103 103 LEU CA C 57.150 0.4 1 1039 103 103 LEU CB C 40.298 0.4 1 1040 103 103 LEU CG C 26.263 0.4 1 1041 103 103 LEU CD1 C 22.991 0.4 1 1042 103 103 LEU CD2 C 26.954 0.4 1 1043 103 103 LEU N N 121.879 0.4 1 1044 104 104 LEU H H 8.501 0.02 1 1045 104 104 LEU HA H 3.837 0.02 1 1046 104 104 LEU HB2 H 1.950 0.02 2 1047 104 104 LEU HB3 H 1.628 0.02 2 1048 104 104 LEU HG H 1.687 0.02 1 1049 104 104 LEU HD1 H 0.797 0.02 1 1050 104 104 LEU HD2 H 0.869 0.02 1 1051 104 104 LEU C C 179.880 0.4 1 1052 104 104 LEU CA C 57.707 0.4 1 1053 104 104 LEU CB C 41.419 0.4 1 1054 104 104 LEU CG C 27.124 0.4 1 1055 104 104 LEU CD1 C 25.835 0.4 1 1056 104 104 LEU CD2 C 23.872 0.4 1 1057 104 104 LEU N N 118.111 0.4 1 1058 105 105 ILE H H 7.584 0.02 1 1059 105 105 ILE HA H 3.684 0.02 1 1060 105 105 ILE HB H 1.959 0.02 1 1061 105 105 ILE HG12 H 1.719 0.02 2 1062 105 105 ILE HG13 H 1.149 0.02 2 1063 105 105 ILE HG2 H 0.889 0.02 1 1064 105 105 ILE HD1 H 0.838 0.02 1 1065 105 105 ILE C C 179.130 0.4 1 1066 105 105 ILE CA C 64.408 0.4 1 1067 105 105 ILE CB C 37.855 0.4 1 1068 105 105 ILE CG1 C 29.317 0.4 1 1069 105 105 ILE CG2 C 17.230 0.4 1 1070 105 105 ILE CD1 C 12.940 0.4 1 1071 105 105 ILE N N 119.230 0.4 1 1072 106 106 ILE H H 7.619 0.02 1 1073 106 106 ILE HA H 3.569 0.02 1 1074 106 106 ILE HB H 1.989 0.02 1 1075 106 106 ILE HG12 H 1.931 0.02 2 1076 106 106 ILE HG13 H 0.908 0.02 2 1077 106 106 ILE HG2 H 0.814 0.02 1 1078 106 106 ILE HD1 H 0.684 0.02 1 1079 106 106 ILE C C 177.927 0.4 1 1080 106 106 ILE CA C 65.846 0.4 1 1081 106 106 ILE CB C 38.102 0.4 1 1082 106 106 ILE CG1 C 29.342 0.4 1 1083 106 106 ILE CG2 C 17.958 0.4 1 1084 106 106 ILE CD1 C 13.817 0.4 1 1085 106 106 ILE N N 121.553 0.4 1 1086 107 107 ILE H H 7.591 0.02 1 1087 107 107 ILE HA H 4.276 0.02 1 1088 107 107 ILE HB H 2.156 0.02 1 1089 107 107 ILE HG12 H 1.412 0.02 2 1090 107 107 ILE HG13 H 1.357 0.02 2 1091 107 107 ILE HG2 H 0.978 0.02 1 1092 107 107 ILE HD1 H 0.753 0.02 1 1093 107 107 ILE C C 175.242 0.4 1 1094 107 107 ILE CA C 62.024 0.4 1 1095 107 107 ILE CB C 37.958 0.4 1 1096 107 107 ILE CG1 C 25.820 0.4 1 1097 107 107 ILE CG2 C 18.282 0.4 1 1098 107 107 ILE CD1 C 14.798 0.4 1 1099 107 107 ILE N N 108.796 0.4 1 1100 108 108 SER H H 7.454 0.02 1 1101 108 108 SER HA H 4.262 0.02 1 1102 108 108 SER HB2 H 3.894 0.02 1 1103 108 108 SER HB3 H 3.894 0.02 1 1104 108 108 SER C C 174.094 0.4 1 1105 108 108 SER CA C 58.968 0.4 1 1106 108 108 SER CB C 63.578 0.4 1 1107 108 108 SER N N 115.825 0.4 1 1108 109 109 ARG H H 8.219 0.02 1 1109 109 109 ARG HA H 4.470 0.02 1 1110 109 109 ARG HB2 H 1.767 0.02 2 1111 109 109 ARG HB3 H 1.635 0.02 2 1112 109 109 ARG HG2 H 1.519 0.02 1 1113 109 109 ARG HG3 H 1.519 0.02 1 1114 109 109 ARG HD2 H 3.001 0.02 1 1115 109 109 ARG HD3 H 3.001 0.02 1 1116 109 109 ARG C C 173.697 0.4 1 1117 109 109 ARG CA C 53.916 0.4 1 1118 109 109 ARG CB C 29.669 0.4 1 1119 109 109 ARG CG C 26.304 0.4 1 1120 109 109 ARG CD C 42.960 0.4 1 1121 109 109 ARG N N 122.646 0.4 1 1122 110 110 PRO HA H 4.350 0.02 1 1123 110 110 PRO HB2 H 2.219 0.02 2 1124 110 110 PRO HB3 H 1.869 0.02 2 1125 110 110 PRO HG2 H 1.955 0.02 2 1126 110 110 PRO HG3 H 1.890 0.02 2 1127 110 110 PRO HD2 H 3.675 0.02 2 1128 110 110 PRO HD3 H 3.516 0.02 2 1129 110 110 PRO CA C 62.924 0.4 1 1130 110 110 PRO CB C 31.933 0.4 1 1131 110 110 PRO CG C 27.310 0.4 1 1132 110 110 PRO CD C 50.267 0.4 1 1133 111 111 ALA H H 8.465 0.02 1 1134 111 111 ALA HA H 4.256 0.02 1 1135 111 111 ALA HB H 1.364 0.02 1 1136 111 111 ALA C C 176.835 0.4 1 1137 111 111 ALA CA C 52.254 0.4 1 1138 111 111 ALA CB C 19.081 0.4 1 1139 111 111 ALA N N 124.604 0.4 1 1140 112 112 ARG H H 7.956 0.02 1 1141 112 112 ARG HA H 4.115 0.02 1 1142 112 112 ARG HB2 H 1.801 0.02 2 1143 112 112 ARG HB3 H 1.690 0.02 2 1144 112 112 ARG HG2 H 1.550 0.02 1 1145 112 112 ARG HG3 H 1.550 0.02 1 1146 112 112 ARG HD2 H 3.130 0.02 1 1147 112 112 ARG HD3 H 3.130 0.02 1 1148 112 112 ARG CA C 57.247 0.4 1 1149 112 112 ARG CB C 31.290 0.4 1 1150 112 112 ARG CG C 26.893 0.4 1 1151 112 112 ARG CD C 43.354 0.4 1 1152 112 112 ARG N N 124.971 0.4 1 stop_ save_ save_n.peaks _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H all 2 H all 3 N amide stop_ _Sample_label $HR9151A.011 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_n.peaks >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode n.peaks >> _Spectral_peak_list.Entry_ID 19314 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $HR9151A.011 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 7 >> _Spectral_peak_list.Experiment_name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 3 >>#INAME 1 H1 >>#INAME 2 H1 >>#INAME 3 N15 >> 1 8.260 1.946 121.590 0 U 1.987e+03 0.00e+00 - 0 29 965 30 0 >> 2 8.002 2.536 116.666 0 U 1.306e+03 0.00e+00 - 0 177 996 178 0 >> 3 8.018 5.328 113.490 0 U 6.177e+02 0.00e+00 - 0 0 0 0 0 >> 4 8.013 4.360 113.374 0 U 6.884e+02 0.00e+00 - 0 0 0 0 0 >> 5 8.138 7.956 124.983 0 U 1.286e+03 0.00e+00 - 0 0 0 0 0 >> 6 8.154 1.481 124.832 0 U 1.244e+03 0.00e+00 - 0 187 975 188 0 >> 7 7.675 6.999 112.603 0 U 1.372e+04 0.00e+00 - 0 1689 1691 1690 0 >> 8 7.674 2.516 112.591 0 U 1.182e+03 0.00e+00 - 0 1689 1328 1690 0 >> 9 8.361 2.129 117.645 0 U 6.723e+02 0.00e+00 - 0 0 0 0 0 >> 10 7.006 7.668 112.602 0 U 1.361e+04 0.00e+00 - 0 1691 1689 1690 0 >> 11 7.008 2.525 112.561 0 U 6.964e+02 0.00e+00 - 0 1691 1328 1690 0 >> 12 8.121 8.518 120.847 0 U 7.457e+02 0.00e+00 - 0 185 107 186 0 >> 13 8.129 4.013 121.044 0 U 8.351e+02 0.00e+00 - 0 185 916 186 0 >> 14 8.121 2.252 120.886 0 U 1.175e+03 0.00e+00 - 0 185 1432 186 0 >> 15 8.526 7.991 117.807 0 U 9.929e+02 0.00e+00 - 0 107 83 108 0 >> 16 8.535 2.625 117.676 0 U 8.381e+02 0.00e+00 - 0 0 0 0 0 >> 17 8.525 2.207 117.721 0 U 1.835e+03 0.00e+00 - 0 107 1432 108 0 >> 18 8.521 1.958 117.747 0 U 6.245e+02 0.00e+00 - 0 107 1005 108 0 >> 19 7.976 8.517 119.377 0 U 8.980e+02 0.00e+00 - 0 83 107 84 0 >> 20 7.979 3.987 119.355 0 U 1.597e+03 0.00e+00 - 0 83 917 84 0 >> 21 7.976 2.174 119.311 0 U 4.102e+03 0.00e+00 - 0 83 961 84 0 >> 22 8.039 8.891 117.794 0 U 1.036e+03 0.00e+00 - 0 109 27 110 0 >> 23 8.042 4.210 117.782 0 U 1.218e+03 0.00e+00 - 0 109 879 110 0 >> 24 8.038 2.122 117.762 0 U 1.487e+03 0.00e+00 - 0 109 2054 110 0 >> 25 8.038 1.780 117.792 0 U 1.637e+03 0.00e+00 - 0 109 1317 110 0 >> 26 8.035 1.608 117.785 0 U 8.748e+02 0.00e+00 - 0 109 1610 110 0 >> 27 8.891 8.022 121.948 0 U 8.301e+02 0.00e+00 - 0 27 109 28 0 >> 28 8.890 2.250 122.001 0 U 7.567e+02 0.00e+00 - 0 27 1860 28 0 >> 29 8.889 1.795 121.972 0 U 8.792e+02 0.00e+00 - 0 27 1317 28 0 >> 30 8.651 8.309 122.878 0 U 1.218e+03 0.00e+00 - 0 13 65 14 0 >> 31 8.649 3.958 122.818 0 U 1.586e+03 0.00e+00 - 0 13 898 14 0 >> 32 8.648 2.019 122.877 0 U 1.822e+03 0.00e+00 - 0 13 955 14 0 >> 33 8.650 1.903 122.843 0 U 9.772e+02 0.00e+00 - 0 13 1314 14 0 >> 34 8.646 0.965 122.790 0 U 9.009e+02 0.00e+00 - 0 13 1370 14 0 >> 35 8.320 8.643 119.691 0 U 1.142e+03 0.00e+00 - 0 65 13 66 0 >> 36 8.324 4.375 119.693 0 U 1.274e+03 0.00e+00 - 0 65 878 66 0 >> 37 8.324 2.820 119.705 0 U 1.911e+03 0.00e+00 - 0 65 1010 66 0 >> 38 8.322 2.023 119.724 0 U 1.481e+03 0.00e+00 - 0 65 955 66 0 >> 39 8.401 4.312 121.923 0 U 8.562e+02 0.00e+00 - 0 25 933 26 0 >> 40 8.403 3.370 122.033 0 U 1.187e+03 0.00e+00 - 0 25 983 26 0 >> 41 8.478 7.769 109.558 0 U 1.020e+03 0.00e+00 - 0 169 71 170 0 >> 42 8.474 4.765 109.625 0 U 8.673e+02 0.00e+00 - 0 169 1970 170 0 >> 43 8.480 1.459 109.582 0 U 1.184e+03 0.00e+00 - 0 169 1311 170 0 >> 44 7.768 8.474 119.667 0 U 1.171e+03 0.00e+00 - 0 71 169 72 0 >> 45 7.766 4.126 119.627 0 U 1.211e+03 0.00e+00 - 0 71 907 72 0 >> 46 7.766 1.887 119.615 0 U 2.909e+03 0.00e+00 - 0 71 958 72 0 >> 47 7.819 7.198 119.042 0 U 1.660e+03 0.00e+00 - 0 79 167 80 0 >> 48 7.821 3.858 119.072 0 U 1.493e+03 0.00e+00 - 0 79 932 80 0 >> 49 7.818 1.874 119.021 0 U 1.118e+03 0.00e+00 - 0 79 958 80 0 >> 50 7.818 0.645 119.022 0 U 3.602e+03 0.00e+00 - 0 79 981 80 0 >> 51 7.194 7.802 110.389 0 U 1.006e+03 0.00e+00 - 0 167 79 168 0 >> 52 7.207 7.497 110.390 0 U 1.040e+03 0.00e+00 - 0 167 43 168 0 >> 53 7.194 0.651 110.403 0 U 1.262e+03 0.00e+00 - 0 167 981 168 0 >> 54 8.776 8.442 115.545 0 U 6.723e+02 0.00e+00 - 0 181 133 182 0 >> 55 8.450 7.404 115.191 0 U 1.130e+03 0.00e+00 - 0 133 1729 134 0 >> 56 8.450 4.526 115.230 0 U 9.634e+02 0.00e+00 - 0 133 940 134 0 >> 57 7.402 8.442 115.268 0 U 7.728e+02 0.00e+00 - 0 1729 133 1730 0 >> 58 7.960 4.529 123.355 0 U 2.063e+03 0.00e+00 - 0 1723 1350 1724 0 >> 59 7.958 2.174 123.423 0 U 2.213e+03 0.00e+00 - 0 1723 1352 1724 0 >> 60 7.959 1.467 123.375 0 U 1.844e+03 0.00e+00 - 0 1723 1715 1724 0 >> 61 7.971 1.016 123.476 0 U 2.200e+03 0.00e+00 - 0 0 0 0 0 >> 62 7.965 0.910 123.427 0 U 9.463e+02 0.00e+00 - 0 0 0 0 0 >> 63 8.442 4.473 123.747 0 U 1.915e+03 0.00e+00 - 0 5 1292 6 0 >> 64 8.446 4.254 123.801 0 U 5.992e+02 0.00e+00 - 0 0 0 0 0 >> 65 8.452 1.804 123.830 0 U 1.340e+03 0.00e+00 - 0 0 0 0 0 >> 66 8.440 1.507 123.771 0 U 7.296e+02 0.00e+00 - 0 1614 1388 1615 0 >> 67 9.036 4.595 115.225 0 U 7.165e+02 0.00e+00 - 0 0 0 0 0 >> 68 8.501 7.198 109.692 0 U 7.015e+02 0.00e+00 - 0 0 0 0 0 >> 69 7.978 8.442 123.476 0 U 1.192e+03 0.00e+00 - 0 193 81 194 0 >> 70 7.972 3.967 123.453 0 U 1.051e+03 0.00e+00 - 0 0 0 0 0 >> 71 7.970 1.655 123.456 0 U 8.592e+02 0.00e+00 - 0 1723 1722 1724 0 >> 72 8.443 8.783 119.142 0 U 1.108e+03 0.00e+00 - 0 75 69 76 0 >> 73 8.442 8.221 119.153 0 U 1.384e+03 0.00e+00 - 0 75 125 76 0 >> 74 8.444 3.902 119.133 0 U 1.132e+03 0.00e+00 - 0 0 0 0 0 >> 75 8.446 2.083 119.193 0 U 2.002e+03 0.00e+00 - 0 81 972 82 0 >> 76 8.447 1.926 119.154 0 U 3.116e+03 0.00e+00 - 0 0 0 0 0 >> 77 8.442 0.984 119.271 0 U 7.932e+02 0.00e+00 - 0 0 0 0 0 >> 78 8.452 0.879 119.141 0 U 7.808e+02 0.00e+00 - 0 0 0 0 0 >> 79 8.922 4.407 112.875 0 U 9.833e+02 0.00e+00 - 0 139 943 140 0 >> 80 8.923 4.071 112.955 0 U 1.748e+03 0.00e+00 - 0 139 1020 140 0 >> 81 7.841 8.914 122.674 0 U 7.708e+02 0.00e+00 - 0 0 0 0 0 >> 82 7.847 4.489 122.637 0 U 9.833e+02 0.00e+00 - 0 15 885 16 0 >> 83 7.838 4.041 122.637 0 U 8.431e+02 0.00e+00 - 0 15 1020 16 0 >> 84 7.838 3.518 122.635 0 U 9.627e+02 0.00e+00 - 0 15 949 16 0 >> 85 7.844 3.360 122.573 0 U 1.061e+03 0.00e+00 - 0 15 1284 16 0 >> 86 8.671 3.508 121.388 0 U 8.311e+02 0.00e+00 - 0 0 0 0 0 >> 87 8.665 0.888 121.499 0 U 9.478e+02 0.00e+00 - 0 0 0 0 0 >> 88 8.922 8.228 119.817 0 U 7.738e+02 0.00e+00 - 0 59 125 60 0 >> 89 8.914 4.265 119.874 0 U 8.331e+02 0.00e+00 - 0 59 924 60 0 >> 90 8.922 3.937 119.852 0 U 1.007e+03 0.00e+00 - 0 59 1885 60 0 >> 91 8.926 3.231 119.835 0 U 1.177e+03 0.00e+00 - 0 59 1282 60 0 >> 92 8.918 0.872 119.792 0 U 1.211e+03 0.00e+00 - 0 59 1508 60 0 >> 93 8.234 3.904 116.384 0 U 1.079e+03 0.00e+00 - 0 125 1885 126 0 >> 94 8.231 3.756 116.336 0 U 1.031e+03 0.00e+00 - 0 125 903 126 0 >> 95 8.232 3.218 116.358 0 U 2.213e+03 0.00e+00 - 0 0 0 0 0 >> 96 6.865 6.990 112.022 0 U 1.336e+03 0.00e+00 - 0 0 0 0 0 >> 97 6.867 6.491 112.019 0 U 3.250e+04 0.00e+00 - 0 1692 1693 1694 0 >> 98 6.866 1.922 112.019 0 U 1.827e+03 0.00e+00 - 0 0 0 0 0 >> 99 6.868 0.932 112.066 0 U 9.407e+02 0.00e+00 - 0 1692 1495 1694 0 >> 100 8.435 3.208 119.147 0 U 8.080e+02 0.00e+00 - 0 75 982 76 0 >> 101 6.499 6.862 112.014 0 U 2.780e+04 0.00e+00 - 0 1693 1692 1694 0 >> 102 6.504 3.549 112.055 0 U 6.271e+02 0.00e+00 - 0 1693 895 1694 0 >> 103 6.499 1.925 112.001 0 U 2.567e+03 0.00e+00 - 0 0 0 0 0 >> 104 6.504 0.867 112.052 0 U 9.648e+02 0.00e+00 - 0 1693 1477 1694 0 >> 105 8.784 7.652 119.672 0 U 8.261e+02 0.00e+00 - 0 69 97 70 0 >> 106 8.787 2.097 119.711 0 U 1.368e+03 0.00e+00 - 0 69 978 70 0 >> 107 8.791 1.928 119.669 0 U 1.290e+03 0.00e+00 - 0 0 0 0 0 >> 108 8.789 0.887 119.692 0 U 1.092e+03 0.00e+00 - 0 0 0 0 0 >> 109 7.655 8.211 118.052 0 U 8.412e+02 0.00e+00 - 0 97 53 98 0 >> 110 7.651 2.262 118.070 0 U 1.128e+03 0.00e+00 - 0 97 970 98 0 >> 111 7.653 0.952 117.964 0 U 8.683e+02 0.00e+00 - 0 0 0 0 0 >> 112 8.210 8.549 120.175 0 U 1.148e+03 0.00e+00 - 0 53 33 54 0 >> 113 8.219 7.653 120.170 0 U 1.222e+03 0.00e+00 - 0 53 97 54 0 >> 114 8.213 4.065 120.163 0 U 1.086e+03 0.00e+00 - 0 53 882 54 0 >> 115 8.211 3.918 120.199 0 U 8.110e+02 0.00e+00 - 0 0 0 0 0 >> 116 8.215 2.240 120.184 0 U 2.160e+03 0.00e+00 - 0 0 0 0 0 >> 117 8.211 2.083 120.178 0 U 3.032e+03 0.00e+00 - 0 53 947 54 0 >> 118 8.559 8.251 121.537 0 U 1.335e+03 0.00e+00 - 0 0 0 0 0 >> 119 8.557 2.020 121.511 0 U 1.311e+03 0.00e+00 - 0 33 1021 34 0 >> 120 8.550 1.904 121.529 0 U 1.325e+03 0.00e+00 - 0 33 1481 34 0 >> 121 8.553 1.290 121.536 0 U 6.643e+02 0.00e+00 - 0 33 999 34 0 >> 122 8.552 0.874 121.541 0 U 8.577e+02 0.00e+00 - 0 33 1477 34 0 >> 123 8.554 0.713 121.578 0 U 1.041e+03 0.00e+00 - 0 33 1479 34 0 >> 124 8.284 8.679 122.269 0 U 1.406e+03 0.00e+00 - 0 19 111 20 0 >> 125 8.283 8.544 122.258 0 U 1.369e+03 0.00e+00 - 0 0 0 0 0 >> 126 8.280 3.932 122.227 0 U 1.750e+03 0.00e+00 - 0 0 0 0 0 >> 127 8.289 1.984 122.202 0 U 9.695e+02 0.00e+00 - 0 19 1021 20 0 >> 128 8.284 1.639 122.232 0 U 2.748e+03 0.00e+00 - 0 19 979 20 0 >> 129 8.281 0.717 122.286 0 U 7.175e+02 0.00e+00 - 0 0 0 0 0 >> 130 8.688 8.514 117.441 0 U 1.185e+03 0.00e+00 - 0 0 0 0 0 >> 131 8.685 8.277 117.476 0 U 1.398e+03 0.00e+00 - 0 111 19 112 0 >> 132 8.690 3.940 117.448 0 U 1.565e+03 0.00e+00 - 0 0 0 0 0 >> 133 8.686 1.999 117.448 0 U 2.355e+03 0.00e+00 - 0 111 1024 112 0 >> 134 8.688 1.651 117.430 0 U 1.491e+03 0.00e+00 - 0 111 979 112 0 >> 135 8.518 4.382 121.112 0 U 1.503e+03 0.00e+00 - 0 191 894 192 0 >> 136 8.517 4.126 121.211 0 U 8.484e+02 0.00e+00 - 0 191 876 192 0 >> 137 8.516 2.863 121.156 0 U 2.816e+03 0.00e+00 - 0 191 953 192 0 >> 138 8.520 1.992 121.182 0 U 1.047e+03 0.00e+00 - 0 191 1024 192 0 >> 139 8.351 8.511 120.216 0 U 1.352e+03 0.00e+00 - 0 55 191 56 0 >> 140 8.351 8.081 120.239 0 U 8.944e+02 0.00e+00 - 0 55 57 56 0 >> 141 8.352 4.117 120.215 0 U 1.002e+03 0.00e+00 - 0 0 0 0 0 >> 142 8.349 3.142 120.256 0 U 2.448e+03 0.00e+00 - 0 55 951 56 0 >> 143 8.350 2.872 120.242 0 U 1.373e+03 0.00e+00 - 0 55 953 56 0 >> 144 8.099 8.258 120.175 0 U 1.332e+03 0.00e+00 - 0 57 121 58 0 >> 145 8.101 4.077 120.097 0 U 6.470e+02 0.00e+00 - 0 57 891 58 0 >> 146 8.106 3.937 120.124 0 U 1.322e+03 0.00e+00 - 0 0 0 0 0 >> 147 8.127 3.171 120.330 0 U 1.966e+03 0.00e+00 - 0 51 950 52 0 >> 148 8.100 2.122 120.163 0 U 1.308e+03 0.00e+00 - 0 57 1016 58 0 >> 149 8.100 1.624 120.136 0 U 1.360e+03 0.00e+00 - 0 0 0 0 0 >> 150 8.100 0.960 120.137 0 U 1.169e+03 0.00e+00 - 0 57 1370 58 0 >> 151 8.272 8.564 116.470 0 U 1.294e+03 0.00e+00 - 0 121 47 122 0 >> 152 8.269 4.314 116.466 0 U 2.100e+03 0.00e+00 - 0 121 969 122 0 >> 153 8.273 3.753 116.450 0 U 1.275e+03 0.00e+00 - 0 121 889 122 0 >> 154 8.268 2.114 116.493 0 U 8.552e+02 0.00e+00 - 0 121 1016 122 0 >> 155 8.269 1.628 116.517 0 U 7.879e+02 0.00e+00 - 0 0 0 0 0 >> 156 8.275 1.211 116.440 0 U 1.081e+03 0.00e+00 - 0 121 1341 122 0 >> 157 8.568 8.387 120.476 0 U 3.133e+03 0.00e+00 - 0 0 0 0 0 >> 158 8.578 8.270 120.517 0 U 1.107e+03 0.00e+00 - 0 0 0 0 0 >> 159 8.573 4.311 120.538 0 U 1.137e+03 0.00e+00 - 0 47 969 48 0 >> 160 8.573 3.763 120.519 0 U 1.232e+03 0.00e+00 - 0 0 0 0 0 >> 161 8.576 1.227 120.546 0 U 1.642e+03 0.00e+00 - 0 0 0 0 0 >> 162 8.574 1.007 120.551 0 U 1.618e+03 0.00e+00 - 0 0 0 0 0 >> 163 8.562 0.890 120.436 0 U 1.260e+03 0.00e+00 - 0 0 0 0 0 >> 164 8.392 8.565 114.156 0 U 1.152e+03 0.00e+00 - 0 135 47 136 0 >> 165 8.396 4.051 114.189 0 U 1.433e+03 0.00e+00 - 0 135 880 136 0 >> 166 8.393 3.814 114.162 0 U 1.380e+03 0.00e+00 - 0 0 0 0 0 >> 167 8.387 1.015 114.166 0 U 1.040e+03 0.00e+00 - 0 135 1031 136 0 >> 168 8.268 7.993 121.636 0 U 1.529e+03 0.00e+00 - 0 29 177 30 0 >> 169 8.268 4.045 121.644 0 U 1.544e+03 0.00e+00 - 0 0 0 0 0 >> 170 8.000 8.274 116.638 0 U 1.155e+03 0.00e+00 - 0 177 29 178 0 >> 171 8.010 4.689 116.635 0 U 1.141e+03 0.00e+00 - 0 177 934 178 0 >> 172 7.998 2.780 116.625 0 U 1.161e+03 0.00e+00 - 0 177 1018 178 0 >> 173 8.003 1.937 116.614 0 U 1.021e+03 0.00e+00 - 0 177 965 178 0 >> 174 7.881 8.339 109.542 0 U 1.918e+03 0.00e+00 - 0 171 95 172 0 >> 175 7.877 4.688 109.489 0 U 7.829e+02 0.00e+00 - 0 171 934 172 0 >> 176 7.878 4.003 109.524 0 U 3.994e+03 0.00e+00 - 0 0 0 0 0 >> 177 8.345 7.867 118.266 0 U 1.972e+03 0.00e+00 - 0 95 171 96 0 >> 178 8.349 7.717 118.294 0 U 1.594e+03 0.00e+00 - 0 95 67 96 0 >> 179 8.345 4.442 118.292 0 U 7.447e+02 0.00e+00 - 0 95 899 96 0 >> 180 8.344 4.016 118.300 0 U 8.557e+02 0.00e+00 - 0 0 0 0 0 >> 181 8.347 1.652 118.279 0 U 7.936e+02 0.00e+00 - 0 95 1014 96 0 >> 182 8.348 1.347 118.273 0 U 1.262e+03 0.00e+00 - 0 0 0 0 0 >> 183 7.723 8.336 120.161 0 U 1.872e+03 0.00e+00 - 0 67 95 68 0 >> 184 7.725 4.456 120.133 0 U 1.178e+03 0.00e+00 - 0 67 899 68 0 >> 185 7.725 3.546 120.162 0 U 1.060e+03 0.00e+00 - 0 67 926 68 0 >> 186 7.722 1.763 120.145 0 U 2.057e+03 0.00e+00 - 0 67 962 68 0 >> 187 7.726 1.227 120.175 0 U 1.266e+03 0.00e+00 - 0 67 1270 68 0 >> 188 7.732 0.862 120.164 0 U 1.127e+03 0.00e+00 - 0 67 1505 68 0 >> 189 7.717 0.629 120.158 0 U 1.100e+03 0.00e+00 - 0 0 0 0 0 >> 190 7.456 8.223 115.817 0 U 7.868e+02 0.00e+00 - 0 129 17 130 0 >> 191 7.454 7.583 115.825 0 U 1.850e+03 0.00e+00 - 0 129 1843 130 0 >> 192 7.455 4.261 115.821 0 U 1.997e+03 0.00e+00 - 0 0 0 0 0 >> 193 7.453 3.881 115.834 0 U 1.915e+03 0.00e+00 - 0 129 1345 130 0 >> 194 7.710 4.221 119.121 0 U 9.676e+02 0.00e+00 - 0 87 1264 88 0 >> 195 7.701 2.049 119.130 0 U 1.505e+03 0.00e+00 - 0 87 976 88 0 >> 196 7.702 1.031 119.087 0 U 1.850e+03 0.00e+00 - 0 87 1199 88 0 >> 197 7.851 7.703 122.154 0 U 1.080e+03 0.00e+00 - 0 23 87 24 0 >> 198 7.846 6.725 122.077 0 U 9.208e+02 0.00e+00 - 0 0 0 0 0 >> 199 7.849 4.200 122.174 0 U 1.053e+03 0.00e+00 - 0 23 892 24 0 >> 200 7.858 3.242 122.119 0 U 8.631e+02 0.00e+00 - 0 23 1840 24 0 >> 201 7.850 2.902 122.153 0 U 7.668e+02 0.00e+00 - 0 23 1841 24 0 >> 202 7.847 2.046 122.188 0 U 9.307e+02 0.00e+00 - 0 23 976 24 0 >> 203 8.130 8.312 120.337 0 U 1.410e+03 0.00e+00 - 0 51 45 52 0 >> 204 8.139 4.265 120.324 0 U 7.286e+02 0.00e+00 - 0 51 887 52 0 >> 205 8.312 3.931 120.868 0 U 1.310e+03 0.00e+00 - 0 45 1649 46 0 >> 206 8.326 3.213 120.868 0 U 1.086e+03 0.00e+00 - 0 45 950 46 0 >> 207 8.319 2.552 120.852 0 U 1.088e+03 0.00e+00 - 0 45 1929 46 0 >> 208 8.317 2.091 120.882 0 U 1.186e+03 0.00e+00 - 0 45 1682 46 0 >> 209 8.322 1.927 120.859 0 U 1.001e+03 0.00e+00 - 0 45 1927 46 0 >> 210 8.352 8.196 122.248 0 U 1.605e+03 0.00e+00 - 0 21 99 22 0 >> 211 8.349 4.039 122.247 0 U 1.206e+03 0.00e+00 - 0 21 913 22 0 >> 212 8.350 2.078 122.307 0 U 1.020e+03 0.00e+00 - 0 21 1682 22 0 >> 213 8.349 1.693 122.226 0 U 1.227e+03 0.00e+00 - 0 21 1028 22 0 >> 214 8.350 1.134 122.266 0 U 1.088e+03 0.00e+00 - 0 21 991 22 0 >> 215 7.425 6.733 110.786 0 U 6.042e+03 0.00e+00 - 0 1697 1695 1696 0 >> 216 8.177 8.353 118.257 0 U 1.194e+03 0.00e+00 - 0 0 0 0 0 >> 217 8.190 7.955 118.299 0 U 9.819e+02 0.00e+00 - 0 99 89 100 0 >> 218 8.173 3.660 118.234 0 U 8.632e+02 0.00e+00 - 0 99 909 100 0 >> 219 8.179 2.064 118.256 0 U 2.264e+03 0.00e+00 - 0 99 959 100 0 >> 220 6.736 7.435 110.797 0 U 1.032e+04 0.00e+00 - 0 1695 1697 1696 0 >> 221 6.731 2.243 110.810 0 U 6.345e+02 0.00e+00 - 0 1695 1201 1696 0 >> 222 6.741 2.099 110.787 0 U 8.057e+02 0.00e+00 - 0 1695 1202 1696 0 >> 223 7.956 8.379 118.580 0 U 2.083e+03 0.00e+00 - 0 0 0 0 0 >> 224 7.953 8.175 118.590 0 U 1.644e+03 0.00e+00 - 0 89 99 90 0 >> 225 7.951 3.942 118.586 0 U 2.080e+03 0.00e+00 - 0 0 0 0 0 >> 226 7.952 2.233 118.559 0 U 1.478e+03 0.00e+00 - 0 0 0 0 0 >> 227 7.953 2.025 118.572 0 U 5.158e+03 0.00e+00 - 0 0 0 0 0 >> 228 7.159 4.023 111.228 0 U 8.663e+02 0.00e+00 - 0 870 913 868 0 >> 229 7.160 2.944 111.195 0 U 1.941e+03 0.00e+00 - 0 870 988 868 0 >> 230 7.160 2.736 111.186 0 U 1.268e+03 0.00e+00 - 0 870 1032 868 0 >> 231 7.159 2.001 111.190 0 U 6.904e+02 0.00e+00 - 0 870 1001 868 0 >> 232 7.158 0.878 111.183 0 U 1.619e+03 0.00e+00 - 0 0 0 0 0 >> 233 7.155 0.713 111.223 0 U 7.421e+02 0.00e+00 - 0 0 0 0 0 >> 234 8.387 8.554 119.157 0 U 1.255e+03 0.00e+00 - 0 85 175 86 0 >> 235 8.386 7.944 119.221 0 U 1.593e+03 0.00e+00 - 0 85 89 86 0 >> 236 8.392 4.468 119.197 0 U 1.656e+03 0.00e+00 - 0 85 888 86 0 >> 237 8.390 4.030 119.165 0 U 8.902e+02 0.00e+00 - 0 85 913 86 0 >> 238 8.389 3.920 119.203 0 U 1.184e+03 0.00e+00 - 0 0 0 0 0 >> 239 8.386 2.934 119.190 0 U 2.067e+03 0.00e+00 - 0 85 988 86 0 >> 240 8.392 2.722 119.227 0 U 1.296e+03 0.00e+00 - 0 85 1032 86 0 >> 241 8.388 2.008 119.212 0 U 2.234e+03 0.00e+00 - 0 85 957 86 0 >> 242 7.073 6.937 111.187 0 U 9.748e+02 0.00e+00 - 0 0 0 0 0 >> 243 7.077 2.934 111.200 0 U 1.033e+03 0.00e+00 - 0 869 988 868 0 >> 244 7.079 0.876 111.243 0 U 7.998e+02 0.00e+00 - 0 0 0 0 0 >> 245 7.078 0.741 111.254 0 U 6.321e+02 0.00e+00 - 0 0 0 0 0 >> 246 8.571 2.055 120.478 0 U 9.491e+02 0.00e+00 - 0 175 1001 176 0 >> 247 8.562 0.704 120.436 0 U 9.065e+02 0.00e+00 - 0 0 0 0 0 >> 248 8.416 8.559 118.442 0 U 1.076e+03 0.00e+00 - 0 91 175 92 0 >> 249 8.405 7.808 118.528 0 U 9.684e+02 0.00e+00 - 0 91 39 92 0 >> 250 8.402 3.922 118.479 0 U 1.422e+03 0.00e+00 - 0 0 0 0 0 >> 251 8.410 2.495 118.527 0 U 9.947e+02 0.00e+00 - 0 91 1259 92 0 >> 252 8.413 2.134 118.454 0 U 1.908e+03 0.00e+00 - 0 91 1011 92 0 >> 253 8.408 1.978 118.433 0 U 1.442e+03 0.00e+00 - 0 91 986 92 0 >> 254 7.805 8.393 121.293 0 U 1.471e+03 0.00e+00 - 0 39 91 40 0 >> 255 7.805 4.103 121.213 0 U 1.881e+03 0.00e+00 - 0 39 902 40 0 >> 256 7.804 3.926 121.254 0 U 7.555e+02 0.00e+00 - 0 0 0 0 0 >> 257 7.805 2.080 121.251 0 U 2.792e+03 0.00e+00 - 0 0 0 0 0 >> 258 7.805 1.970 121.239 0 U 3.107e+03 0.00e+00 - 0 0 0 0 0 >> 259 7.852 4.114 119.585 0 U 1.000e+03 0.00e+00 - 0 0 0 0 0 >> 260 7.852 1.944 119.560 0 U 2.723e+03 0.00e+00 - 0 0 0 0 0 >> 261 7.849 1.263 119.590 0 U 8.562e+02 0.00e+00 - 0 73 1006 74 0 >> 262 7.854 0.917 119.572 0 U 9.407e+02 0.00e+00 - 0 73 1495 74 0 >> 263 8.099 7.837 118.414 0 U 1.258e+03 0.00e+00 - 0 93 73 94 0 >> 264 8.101 7.490 118.423 0 U 9.009e+02 0.00e+00 - 0 93 123 94 0 >> 265 8.102 3.727 118.435 0 U 1.330e+03 0.00e+00 - 0 93 923 94 0 >> 266 8.101 1.954 118.449 0 U 2.210e+03 0.00e+00 - 0 93 1029 94 0 >> 267 8.101 1.616 118.440 0 U 1.684e+03 0.00e+00 - 0 0 0 0 0 >> 268 8.103 0.921 118.453 0 U 1.483e+03 0.00e+00 - 0 0 0 0 0 >> 269 7.860 6.923 113.000 0 U 3.759e+04 0.00e+00 - 0 1683 1685 1684 0 >> 270 7.859 2.534 112.982 0 U 2.760e+03 0.00e+00 - 0 1683 1218 1684 0 >> 271 7.497 8.392 116.378 0 U 1.334e+03 0.00e+00 - 0 123 61 124 0 >> 272 7.491 8.104 116.359 0 U 1.020e+03 0.00e+00 - 0 123 93 124 0 >> 273 7.491 4.059 116.369 0 U 1.465e+03 0.00e+00 - 0 123 896 124 0 >> 274 7.490 2.535 116.382 0 U 1.469e+03 0.00e+00 - 0 123 1218 124 0 >> 275 7.492 2.263 116.386 0 U 3.254e+03 0.00e+00 - 0 123 954 124 0 >> 276 7.491 1.950 116.389 0 U 1.084e+03 0.00e+00 - 0 123 1029 124 0 >> 277 7.494 1.594 116.380 0 U 9.492e+02 0.00e+00 - 0 0 0 0 0 >> 278 7.498 0.902 116.414 0 U 8.060e+02 0.00e+00 - 0 123 1463 124 0 >> 279 6.930 7.854 113.000 0 U 3.872e+04 0.00e+00 - 0 1685 1683 1684 0 >> 280 6.933 7.143 113.031 0 U 6.153e+02 0.00e+00 - 0 1685 1253 1684 0 >> 281 6.931 7.052 112.976 0 U 1.110e+03 0.00e+00 - 0 0 0 0 0 >> 282 6.930 6.787 113.011 0 U 1.101e+03 0.00e+00 - 0 1685 1255 1684 0 >> 283 6.930 2.537 112.999 0 U 1.712e+03 0.00e+00 - 0 1685 1218 1684 0 >> 284 8.395 7.496 119.833 0 U 1.423e+03 0.00e+00 - 0 61 123 62 0 >> 285 8.396 4.287 119.775 0 U 8.210e+02 0.00e+00 - 0 61 874 62 0 >> 286 8.402 2.943 119.834 0 U 8.000e+02 0.00e+00 - 0 61 984 62 0 >> 287 8.393 2.254 119.834 0 U 1.096e+03 0.00e+00 - 0 61 954 62 0 >> 288 8.290 7.926 123.273 0 U 1.186e+03 0.00e+00 - 0 11 137 12 0 >> 289 8.299 3.828 123.253 0 U 1.006e+03 0.00e+00 - 0 11 930 12 0 >> 290 8.299 2.466 123.287 0 U 6.874e+02 0.00e+00 - 0 11 1009 12 0 >> 291 8.291 1.299 123.286 0 U 3.045e+03 0.00e+00 - 0 11 964 12 0 >> 292 8.291 0.905 123.304 0 U 1.525e+03 0.00e+00 - 0 11 1194 12 0 >> 293 7.941 7.371 114.123 0 U 8.572e+02 0.00e+00 - 0 137 127 138 0 >> 294 7.936 4.393 114.038 0 U 6.934e+02 0.00e+00 - 0 137 925 138 0 >> 295 7.936 3.091 114.051 0 U 1.049e+03 0.00e+00 - 0 137 997 138 0 >> 296 7.933 1.307 114.088 0 U 1.026e+03 0.00e+00 - 0 137 964 138 0 >> 297 7.385 2.094 115.784 0 U 9.293e+02 0.00e+00 - 0 127 992 128 0 >> 298 7.762 7.392 117.292 0 U 1.609e+03 0.00e+00 - 0 0 0 0 0 >> 299 7.766 2.098 117.285 0 U 2.009e+03 0.00e+00 - 0 0 0 0 0 >> 300 8.214 4.470 122.637 0 U 9.378e+02 0.00e+00 - 0 17 944 18 0 >> 301 8.220 4.245 122.662 0 U 1.585e+03 0.00e+00 - 0 17 1346 18 0 >> 302 8.221 3.879 122.645 0 U 6.742e+02 0.00e+00 - 0 17 1345 18 0 >> 303 8.223 3.663 122.649 0 U 7.497e+02 0.00e+00 - 0 17 1409 18 0 >> 304 7.678 4.247 118.009 0 U 9.265e+02 0.00e+00 - 0 103 1737 104 0 >> 305 7.686 3.356 117.976 0 U 9.930e+02 0.00e+00 - 0 103 1738 104 0 >> 306 8.623 4.018 112.394 0 U 8.130e+02 0.00e+00 - 0 145 1338 146 0 >> 307 8.620 3.689 112.427 0 U 8.120e+02 0.00e+00 - 0 145 890 146 0 >> 308 8.621 0.927 112.405 0 U 1.242e+03 0.00e+00 - 0 145 1340 146 0 >> 309 7.317 6.820 111.438 0 U 1.088e+04 0.00e+00 - 0 1686 1687 1688 0 >> 310 7.821 8.618 120.306 0 U 1.175e+03 0.00e+00 - 0 49 145 50 0 >> 311 7.823 7.421 120.401 0 U 1.547e+03 0.00e+00 - 0 49 63 50 0 >> 312 7.821 3.993 120.324 0 U 1.889e+03 0.00e+00 - 0 0 0 0 0 >> 313 7.827 3.683 120.304 0 U 7.587e+02 0.00e+00 - 0 49 890 50 0 >> 314 7.820 2.354 120.340 0 U 8.054e+02 0.00e+00 - 0 49 1224 50 0 >> 315 7.821 2.203 120.324 0 U 1.965e+03 0.00e+00 - 0 49 1013 50 0 >> 316 7.823 1.972 120.329 0 U 1.299e+03 0.00e+00 - 0 49 989 50 0 >> 317 6.827 7.310 111.437 0 U 1.134e+04 0.00e+00 - 0 1687 1686 1688 0 >> 318 7.428 7.790 119.790 0 U 1.589e+03 0.00e+00 - 0 0 0 0 0 >> 319 7.431 3.706 119.720 0 U 8.643e+02 0.00e+00 - 0 63 921 64 0 >> 320 7.436 1.736 119.842 0 U 1.063e+03 0.00e+00 - 0 63 1033 64 0 >> 321 7.429 1.162 119.752 0 U 8.341e+02 0.00e+00 - 0 63 1393 64 0 >> 322 7.769 8.034 117.076 0 U 1.198e+03 0.00e+00 - 0 117 115 118 0 >> 323 7.771 0.934 117.104 0 U 2.897e+03 0.00e+00 - 0 0 0 0 0 >> 324 8.036 8.304 117.226 0 U 1.051e+03 0.00e+00 - 0 115 105 116 0 >> 325 8.032 3.859 117.210 0 U 7.926e+02 0.00e+00 - 0 115 915 116 0 >> 326 8.039 2.121 117.264 0 U 8.764e+02 0.00e+00 - 0 115 980 116 0 >> 327 8.037 1.860 117.237 0 U 1.371e+03 0.00e+00 - 0 115 960 116 0 >> 328 8.037 1.633 117.227 0 U 9.957e+02 0.00e+00 - 0 0 0 0 0 >> 329 8.032 0.921 117.161 0 U 9.861e+02 0.00e+00 - 0 0 0 0 0 >> 330 8.311 8.017 118.060 0 U 1.563e+03 0.00e+00 - 0 0 0 0 0 >> 331 8.314 3.961 118.048 0 U 1.285e+03 0.00e+00 - 0 0 0 0 0 >> 332 8.315 2.123 118.069 0 U 1.164e+03 0.00e+00 - 0 105 1023 106 0 >> 333 8.313 1.964 118.066 0 U 1.143e+03 0.00e+00 - 0 105 1002 106 0 >> 334 8.316 1.750 118.069 0 U 1.140e+03 0.00e+00 - 0 0 0 0 0 >> 335 8.002 8.500 121.910 0 U 1.056e+03 0.00e+00 - 0 31 101 32 0 >> 336 7.996 8.315 121.906 0 U 7.627e+02 0.00e+00 - 0 31 105 32 0 >> 337 8.001 3.668 121.855 0 U 6.522e+02 0.00e+00 - 0 0 0 0 0 >> 338 7.994 1.965 121.799 0 U 7.366e+02 0.00e+00 - 0 31 1002 32 0 >> 339 8.003 1.708 121.884 0 U 1.032e+03 0.00e+00 - 0 31 1019 32 0 >> 340 8.500 7.989 118.096 0 U 8.523e+02 0.00e+00 - 0 101 31 102 0 >> 341 8.509 7.579 118.140 0 U 1.059e+03 0.00e+00 - 0 0 0 0 0 >> 342 8.503 3.847 118.196 0 U 9.805e+02 0.00e+00 - 0 0 0 0 0 >> 343 8.499 1.933 118.040 0 U 1.043e+03 0.00e+00 - 0 101 973 102 0 >> 344 8.500 1.694 118.108 0 U 1.565e+03 0.00e+00 - 0 0 0 0 0 >> 345 8.500 1.380 118.113 0 U 9.748e+02 0.00e+00 - 0 101 1240 102 0 >> 346 8.504 0.872 118.112 0 U 1.074e+03 0.00e+00 - 0 101 1230 102 0 >> 347 7.585 1.954 119.231 0 U 2.347e+03 0.00e+00 - 0 0 0 0 0 >> 348 7.587 1.711 119.279 0 U 1.132e+03 0.00e+00 - 0 77 1233 78 0 >> 349 7.583 0.860 119.228 0 U 1.662e+03 0.00e+00 - 0 0 0 0 0 >> 350 7.619 3.576 121.553 0 U 1.043e+03 0.00e+00 - 0 37 942 38 0 >> 351 7.621 1.984 121.592 0 U 2.469e+03 0.00e+00 - 0 0 0 0 0 >> 352 7.620 0.884 121.576 0 U 1.007e+03 0.00e+00 - 0 37 1502 38 0 >> 353 7.599 4.280 108.846 0 U 7.276e+02 0.00e+00 - 0 1843 927 174 0 >> 354 7.586 1.380 108.776 0 U 1.132e+03 0.00e+00 - 0 0 0 0 0 >> 355 7.584 0.975 108.771 0 U 8.712e+02 0.00e+00 - 0 1843 1239 174 0 >> 356 7.593 0.800 108.806 0 U 7.898e+02 0.00e+00 - 0 0 0 0 0 >> 357 6.764 3.538 115.755 0 U 1.946e+03 0.00e+00 - 0 131 926 132 0 >> 358 6.767 0.597 115.833 0 U 6.432e+02 0.00e+00 - 0 131 1269 132 0 >> 359 8.471 4.342 124.616 0 U 2.901e+03 0.00e+00 - 0 3 1401 4 0 >> 360 8.465 1.869 124.616 0 U 6.781e+02 0.00e+00 - 0 3 1404 4 0 >> 361 8.470 1.356 124.609 0 U 1.926e+03 0.00e+00 - 0 3 968 4 0 >> 362 7.955 4.253 124.977 0 U 6.549e+03 0.00e+00 - 0 1 873 2 0 >> 363 7.956 4.112 124.968 0 U 2.344e+03 0.00e+00 - 0 1 1658 2 0 >> 364 7.953 1.798 124.946 0 U 1.494e+03 0.00e+00 - 0 1 1662 2 0 >> 365 7.959 1.683 124.990 0 U 2.071e+03 0.00e+00 - 0 1 1663 2 0 >> 366 7.956 1.539 124.984 0 U 2.171e+03 0.00e+00 - 0 1 1660 2 0 >> 367 7.956 1.356 124.964 0 U 2.060e+03 0.00e+00 - 0 1 968 2 0 >> 368 6.767 1.198 115.818 0 U 5.075e+02 0.00e+00 - 0 0 0 0 0 >> 369 6.767 2.914 115.818 0 U 5.630e+02 0.00e+00 - 0 131 1841 132 0 >> 370 6.767 3.237 115.818 0 U 5.189e+02 0.00e+00 - 0 131 1840 132 0 >> 371 6.767 7.859 115.818 0 U 5.751e+02 0.00e+00 - 0 131 23 132 0 >> 372 8.693 3.958 122.918 0 U 6.973e+02 0.00e+00 - 0 0 0 0 0 >> 373 8.320 3.046 121.478 0 U 4.869e+02 0.00e+00 - 0 0 0 0 0 >> 374 7.991 6.725 117.014 0 U 5.843e+02 0.00e+00 - 0 0 0 0 0 >> 375 7.991 3.118 117.014 0 U 7.939e+02 0.00e+00 - 0 0 0 0 0 >> 376 7.678 3.191 118.017 0 U 6.089e+02 0.00e+00 - 0 103 1741 104 0 >> 377 7.208 3.846 110.243 0 U 6.311e+02 0.00e+00 - 0 167 932 168 0 >> 378 7.428 -0.012 119.790 0 U 5.422e+02 0.00e+00 - 0 63 1391 64 0 >> 379 7.428 0.162 119.790 0 U 6.642e+02 0.00e+00 - 0 63 1394 64 0 >> 380 7.428 0.937 119.790 0 U 4.713e+02 0.00e+00 - 0 0 0 0 0 >> 381 7.428 1.347 119.790 0 U 5.125e+02 0.00e+00 - 0 63 993 64 0 >> 383 8.135 4.163 124.884 0 U 4.761e+02 0.00e+00 - 0 0 0 0 0 >> 384 8.358 8.109 117.648 0 U 5.562e+02 0.00e+00 - 0 0 0 0 0 >> 385 8.889 0.807 121.972 0 U 5.438e+02 0.00e+00 - 0 0 0 0 0 >> 386 8.648 8.898 122.859 0 U 9.932e+02 0.00e+00 - 0 13 27 14 0 >> 387 8.322 2.724 119.701 0 U 1.374e+03 0.00e+00 - 0 65 985 66 0 >> 388 8.478 3.409 109.582 0 U 5.296e+02 0.00e+00 - 0 169 1842 170 0 >> 390 7.765 1.491 119.629 0 U 6.099e+02 0.00e+00 - 0 71 1311 72 0 >> 391 7.487 7.179 120.854 0 U 7.859e+02 0.00e+00 - 0 43 167 44 0 >> 392 7.487 2.277 120.854 0 U 9.591e+02 0.00e+00 - 0 43 1438 44 0 >> 393 8.776 4.582 115.549 0 U 5.189e+02 0.00e+00 - 0 181 928 182 0 >> 395 8.450 3.976 115.211 0 U 6.783e+02 0.00e+00 - 0 133 1303 134 0 >> 396 8.232 8.437 116.358 0 U 1.008e+03 0.00e+00 - 0 125 75 126 0 >> 397 6.502 7.332 112.022 0 U 6.241e+02 0.00e+00 - 0 1693 1178 1694 0 >> 398 6.866 7.301 112.022 0 U 7.877e+02 0.00e+00 - 0 1692 1178 1694 0 >> 399 8.788 0.770 119.692 0 U 7.322e+02 0.00e+00 - 0 69 1496 70 0 >> 401 8.788 0.978 119.692 0 U 7.185e+02 0.00e+00 - 0 0 0 0 0 >> 402 8.783 8.442 119.686 0 U 7.135e+02 0.00e+00 - 0 69 75 70 0 >> 403 8.792 3.890 119.693 0 U 5.544e+02 0.00e+00 - 0 69 900 70 0 >> 404 8.792 3.487 119.693 0 U 6.006e+02 0.00e+00 - 0 0 0 0 0 >> 405 7.654 3.923 118.036 0 U 5.786e+02 0.00e+00 - 0 0 0 0 0 >> 406 7.654 2.037 118.036 0 U 5.822e+02 0.00e+00 - 0 97 1506 98 0 >> 407 7.650 8.785 118.039 0 U 5.694e+02 0.00e+00 - 0 97 69 98 0 >> 408 8.554 4.140 121.613 0 U 8.230e+02 0.00e+00 - 0 33 876 34 0 >> 409 8.517 8.673 121.167 0 U 1.174e+03 0.00e+00 - 0 191 111 192 0 >> 410 8.517 8.333 121.167 0 U 1.152e+03 0.00e+00 - 0 191 55 192 0 >> 411 8.270 8.098 116.478 0 U 1.020e+03 0.00e+00 - 0 121 57 122 0 >> 412 8.270 1.067 116.478 0 U 5.746e+02 0.00e+00 - 0 121 1484 122 0 >> 413 8.270 0.947 116.478 0 U 6.113e+02 0.00e+00 - 0 121 1370 122 0 >> 414 8.563 1.882 120.441 0 U 6.963e+02 0.00e+00 - 0 175 1491 176 0 >> 415 8.393 8.259 114.162 0 U 1.123e+03 0.00e+00 - 0 0 0 0 0 >> 416 8.393 0.647 114.162 0 U 6.331e+02 0.00e+00 - 0 135 1185 136 0 >> 417 8.267 8.393 121.635 0 U 1.164e+03 0.00e+00 - 0 29 135 30 0 >> 418 8.003 7.871 116.627 0 U 1.804e+03 0.00e+00 - 0 0 0 0 0 >> 419 7.727 7.860 120.157 0 U 6.693e+02 0.00e+00 - 0 67 171 68 0 >> 420 7.703 7.838 119.126 0 U 8.492e+02 0.00e+00 - 0 87 23 88 0 >> 421 7.849 7.982 122.155 0 U 7.979e+02 0.00e+00 - 0 23 1931 24 0 >> 422 7.854 1.020 122.155 0 U 5.644e+02 0.00e+00 - 0 0 0 0 0 >> 423 8.318 8.117 120.863 0 U 7.819e+02 0.00e+00 - 0 45 51 46 0 >> 424 7.427 2.240 110.786 0 U 5.942e+02 0.00e+00 - 0 1697 1201 1696 0 >> 425 7.158 8.372 111.196 0 U 6.743e+02 0.00e+00 - 0 870 85 868 0 >> 426 7.080 8.358 111.196 0 U 5.466e+02 0.00e+00 - 0 869 85 868 0 >> 427 7.853 8.093 119.584 0 U 8.321e+02 0.00e+00 - 0 73 93 74 0 >> 428 8.294 8.402 123.278 0 U 1.233e+03 0.00e+00 - 0 11 61 12 0 >> 429 7.935 8.285 114.067 0 U 5.573e+02 0.00e+00 - 0 137 11 138 0 >> 430 7.935 7.092 114.067 0 U 5.729e+02 0.00e+00 - 0 137 1253 138 0 >> 431 7.385 7.944 115.784 0 U 5.800e+02 0.00e+00 - 0 127 137 128 0 >> 432 7.385 7.742 115.784 0 U 4.954e+02 0.00e+00 - 0 127 113 128 0 >> 433 7.760 3.684 117.069 0 U 6.753e+02 0.00e+00 - 0 0 0 0 0 >> 434 7.776 3.332 117.083 0 U 6.042e+02 0.00e+00 - 0 117 920 118 0 >> 435 8.621 7.829 112.405 0 U 6.392e+02 0.00e+00 - 0 145 49 146 0 >> 436 7.429 3.177 119.769 0 U 5.587e+02 0.00e+00 - 0 63 1358 64 0 >> 437 8.036 7.778 117.226 0 U 8.599e+02 0.00e+00 - 0 115 117 116 0 >> 438 8.314 1.509 118.063 0 U 7.033e+02 0.00e+00 - 0 0 0 0 0 >> 439 7.996 1.048 121.903 0 U 5.971e+02 0.00e+00 - 0 31 998 32 0 >> 440 8.501 0.796 118.111 0 U 8.526e+02 0.00e+00 - 0 0 0 0 0 >> 441 7.584 8.486 119.230 0 U 6.191e+02 0.00e+00 - 0 77 101 78 0 >> 442 7.584 3.684 119.230 0 U 6.617e+02 0.00e+00 - 0 0 0 0 0 >> 443 7.584 3.837 119.230 0 U 4.805e+02 0.00e+00 - 0 0 0 0 0 >> 444 7.956 8.083 124.971 0 U 1.390e+03 0.00e+00 - 0 0 0 0 0 >> 445 8.164 4.150 124.884 0 U 6.057e+02 0.00e+00 - 0 0 0 0 0 >> 446 7.935 3.226 114.067 0 U 5.556e+02 0.00e+00 - 0 137 1030 138 0 >> 447 8.401 3.441 122.005 0 U 7.058e+02 0.00e+00 - 0 25 1842 26 0 >> 448 8.889 2.092 121.972 0 U 5.958e+02 0.00e+00 - 0 27 1543 28 0 >> 449 7.776 1.726 117.087 0 U 6.422e+02 0.00e+00 - 0 117 1033 118 0 >> 450 7.776 1.348 117.087 0 U 4.869e+02 0.00e+00 - 0 117 993 118 0 >> 451 8.318 2.180 120.863 0 U 8.409e+02 0.00e+00 - 0 45 1930 46 0 >> 452 7.758 4.533 117.373 0 U 7.025e+02 0.00e+00 - 0 113 1593 114 0 >> 454 7.200 6.557 110.536 0 U 7.467e+02 0.00e+00 - 0 167 1666 168 0 >> 455 7.317 2.528 111.438 0 U 5.800e+02 0.00e+00 - 0 1686 1223 1688 0 >> 457 8.232 8.923 116.358 0 U 5.011e+02 0.00e+00 - 0 125 59 126 0 >> 459 8.923 8.661 119.825 0 U 4.656e+02 0.00e+00 - 0 59 41 60 0 >> 460 8.923 8.800 119.825 0 U 5.805e+02 0.00e+00 - 0 59 69 60 0 >> 461 8.920 2.314 121.920 0 U 6.063e+02 0.00e+00 - 0 0 0 0 0 >> 464 8.917 4.174 122.077 0 U 7.648e+02 0.00e+00 - 0 0 0 0 0 >> 465 8.393 1.583 114.162 0 U 5.132e+02 0.00e+00 - 0 135 1008 136 0 >> 466 8.889 1.877 121.972 0 U 5.133e+02 0.00e+00 - 0 27 1314 28 0 >> 467 8.017 1.468 113.323 0 U 5.928e+02 0.00e+00 - 0 208 1388 209 0 >> 468 7.758 3.125 117.373 0 U 6.291e+02 0.00e+00 - 0 113 1955 114 0 >> 471 8.045 3.996 117.634 0 U 6.800e+02 0.00e+00 - 0 0 0 0 0 >> 472 7.422 3.995 119.726 0 U 6.191e+02 0.00e+00 - 0 63 897 64 0 >> 473 8.270 3.940 116.478 0 U 5.853e+02 0.00e+00 - 0 0 0 0 0 >> 474 7.487 7.606 120.854 0 U 6.070e+02 0.00e+00 - 0 43 1868 44 0 >> 475 7.485 0.698 120.855 0 U 5.104e+02 0.00e+00 - 0 0 0 0 0 >> 476 7.191 3.169 110.392 0 U 5.836e+02 0.00e+00 - 0 0 0 0 0 >> 477 8.889 8.629 121.972 0 U 7.638e+02 0.00e+00 - 0 0 0 0 0 >> 478 8.660 4.157 122.828 0 U 6.141e+02 0.00e+00 - 0 0 0 0 0 >> 479 8.242 4.643 122.753 0 U 4.053e+02 0.00e+00 - 0 0 0 0 0 >> 480 8.242 4.693 122.753 0 U 3.889e+02 0.00e+00 - 0 0 0 0 0 >> >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 all . 8251 . . . 19314 1 >> 2 H 1 all . 8251 . . . 19314 1 >> 3 N 15 amide . 1420 . . . 19314 1 >> >> stop_ >> >>save_ >> ; save_ save_cali.peaks _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H all 2 H all 3 C cali stop_ _Sample_label $HR9151A.011 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_cali.peaks >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode cali.peaks >> _Spectral_peak_list.Entry_ID 19314 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $HR9151A.011 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 7 >> _Spectral_peak_list.Experiment_name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 3 >>#INAME 1 H1 >>#INAME 2 H1 >>#INAME 3 C13 >> 1 1.810 4.264 32.792 0 U -1.102e+03 0.00e+00 - 0 1623 1620 1621 0 >> 2 1.478 0.902 24.988 0 U -8.079e+02 0.00e+00 - 0 1211 1495 1209 0 >> 3 1.719 0.844 29.312 0 U -2.818e+03 0.00e+00 - 0 0 0 0 0 >> 4 1.484 8.476 18.406 0 U -1.101e+03 0.00e+00 - 0 1388 1614 1389 0 >> 5 4.356 1.488 53.660 0 U 4.460e+03 0.00e+00 - 0 1387 1388 1386 0 >> 6 1.246 2.101 22.058 0 U -1.936e+03 0.00e+00 - 0 1331 1543 1330 0 >> 7 4.361 1.234 68.904 0 U 1.688e+03 0.00e+00 - 0 967 1331 1085 0 >> 8 4.193 1.242 63.894 0 U 1.294e+03 0.00e+00 - 0 938 1331 821 0 >> 9 4.163 1.478 54.792 0 U 3.998e+03 0.00e+00 - 0 941 975 815 0 >> 10 4.193 2.126 58.671 0 U 2.758e+03 0.00e+00 - 0 0 0 0 0 >> 11 2.098 4.177 28.491 0 U -1.509e+03 0.00e+00 - 0 1326 937 1080 0 >> 12 2.541 7.489 33.539 0 U -2.955e+03 0.00e+00 - 0 1218 123 1217 0 >> 13 2.167 4.181 28.791 0 U -1.491e+03 0.00e+00 - 0 966 937 1080 0 >> 14 2.393 4.182 34.326 0 U -1.355e+03 0.00e+00 - 0 1329 937 1327 0 >> 15 2.108 3.817 16.537 0 U -2.073e+03 0.00e+00 - 0 0 0 0 0 >> 16 2.110 2.638 16.515 0 U -2.340e+03 0.00e+00 - 0 1543 1859 1544 0 >> 17 2.109 1.485 16.524 0 U -2.070e+03 0.00e+00 - 0 1543 1388 1544 0 >> 18 3.986 7.983 59.481 0 U 1.565e+03 0.00e+00 - 0 917 83 775 0 >> 19 2.551 8.326 36.596 0 U -1.305e+03 0.00e+00 - 0 1929 45 1928 0 >> 20 2.558 3.924 36.641 0 U -1.112e+03 0.00e+00 - 0 1929 1649 1928 0 >> 21 2.195 8.385 36.709 0 U -1.184e+03 0.00e+00 - 0 0 0 0 0 >> 22 2.219 3.928 36.571 0 U -2.975e+03 0.00e+00 - 0 1930 1649 1928 0 >> 23 1.942 8.336 29.040 0 U -1.371e+03 0.00e+00 - 0 0 0 0 0 >> 24 2.012 3.940 29.337 0 U -3.596e+03 0.00e+00 - 0 0 0 0 0 >> 25 2.174 7.981 29.253 0 U -2.158e+03 0.00e+00 - 0 961 83 1047 0 >> 26 2.401 7.990 35.896 0 U -1.359e+03 0.00e+00 - 0 0 0 0 0 >> 27 2.386 4.264 36.337 0 U -2.437e+03 0.00e+00 - 0 1221 919 1219 0 >> 28 1.480 7.812 25.159 0 U -7.667e+02 0.00e+00 - 0 0 0 0 0 >> 29 1.487 4.112 25.041 0 U -1.276e+03 0.00e+00 - 0 1211 902 1209 0 >> 30 1.513 3.010 29.668 0 U -1.141e+03 0.00e+00 - 0 1867 1861 1864 0 >> 31 1.648 7.958 26.645 0 U -1.469e+03 0.00e+00 - 0 0 0 0 0 >> 32 4.132 1.893 58.204 0 U 3.240e+03 0.00e+00 - 0 0 0 0 0 >> 33 4.145 0.906 57.749 0 U 3.750e+03 0.00e+00 - 0 0 0 0 0 >> 34 3.952 8.678 60.040 0 U 1.446e+03 0.00e+00 - 0 898 13 739 0 >> 35 3.948 1.994 59.546 0 U 7.193e+03 0.00e+00 - 0 0 0 0 0 >> 36 2.015 8.637 29.693 0 U -9.951e+02 0.00e+00 - 0 955 13 1064 0 >> 37 2.011 8.374 29.317 0 U -1.381e+03 0.00e+00 - 0 0 0 0 0 >> 38 1.898 3.960 28.199 0 U -8.027e+02 0.00e+00 - 0 0 0 0 0 >> 39 1.895 3.239 28.056 0 U -1.225e+03 0.00e+00 - 0 0 0 0 0 >> 40 2.825 8.321 40.329 0 U -7.808e+02 0.00e+00 - 0 1010 65 1091 0 >> 41 2.830 4.377 40.229 0 U -9.284e+02 0.00e+00 - 0 1010 878 1091 0 >> 42 4.382 8.311 57.148 0 U 2.031e+03 0.00e+00 - 0 878 65 766 0 >> 43 1.475 8.469 23.515 0 U -1.999e+03 0.00e+00 - 0 1311 169 1312 0 >> 44 1.468 7.230 23.436 0 U -1.080e+03 0.00e+00 - 0 1311 1669 1312 0 >> 45 1.474 4.758 23.446 0 U -1.168e+03 0.00e+00 - 0 1311 1970 1312 0 >> 46 1.472 4.239 23.481 0 U -3.629e+03 0.00e+00 - 0 1311 971 1312 0 >> 47 1.473 3.857 23.500 0 U -2.320e+03 0.00e+00 - 0 1311 901 1312 0 >> 48 1.472 1.992 23.455 0 U -1.630e+03 0.00e+00 - 0 0 0 0 0 >> 49 4.129 7.771 58.365 0 U 1.713e+03 0.00e+00 - 0 0 0 0 0 >> 50 1.900 7.775 30.126 0 U -1.592e+03 0.00e+00 - 0 0 0 0 0 >> 51 1.902 4.127 30.078 0 U -1.320e+03 0.00e+00 - 0 958 907 1072 0 >> 52 1.903 3.189 30.060 0 U -9.690e+02 0.00e+00 - 0 958 1310 1072 0 >> 53 1.739 7.768 27.018 0 U -7.828e+02 0.00e+00 - 0 1307 71 1306 0 >> 54 1.741 4.127 26.991 0 U -1.177e+03 0.00e+00 - 0 1307 907 1306 0 >> 55 1.742 3.185 27.025 0 U -2.727e+03 0.00e+00 - 0 1307 1310 1306 0 >> 56 1.652 0.883 26.709 0 U -4.086e+03 0.00e+00 - 0 0 0 0 0 >> 57 0.650 7.806 17.706 0 U -3.793e+03 0.00e+00 - 0 981 79 1035 0 >> 58 0.650 7.192 17.776 0 U -1.548e+03 0.00e+00 - 0 981 167 1035 0 >> 59 0.654 4.309 17.742 0 U -1.134e+03 0.00e+00 - 0 981 933 1035 0 >> 60 0.650 3.860 17.724 0 U -4.891e+03 0.00e+00 - 0 981 932 1035 0 >> 61 3.864 7.814 54.047 0 U 1.402e+03 0.00e+00 - 0 932 79 773 0 >> 62 3.867 0.642 54.025 0 U 3.608e+03 0.00e+00 - 0 932 981 773 0 >> 63 2.258 8.397 27.730 0 U -1.214e+03 0.00e+00 - 0 954 61 1065 0 >> 64 2.269 7.485 27.810 0 U -2.456e+03 0.00e+00 - 0 954 123 1065 0 >> 65 2.267 4.051 27.792 0 U -2.280e+03 0.00e+00 - 0 954 896 1065 0 >> 66 2.521 7.488 34.659 0 U -1.060e+03 0.00e+00 - 0 1440 43 1439 0 >> 67 2.759 4.573 40.526 0 U -8.803e+02 0.00e+00 - 0 1894 928 1040 0 >> 68 2.650 8.759 40.495 0 U -7.226e+02 0.00e+00 - 0 995 181 1040 0 >> 69 0.910 7.958 19.595 0 U -1.146e+03 0.00e+00 - 0 1355 1723 1353 0 >> 70 0.914 6.955 19.587 0 U -1.313e+03 0.00e+00 - 0 1355 1836 1353 0 >> 71 0.915 4.529 19.634 0 U -2.286e+03 0.00e+00 - 0 1355 1350 1353 0 >> 72 0.915 4.116 19.662 0 U -1.948e+03 0.00e+00 - 0 0 0 0 0 >> 73 2.177 7.953 34.601 0 U -1.735e+03 0.00e+00 - 0 1352 1723 1351 0 >> 74 2.181 4.538 34.609 0 U -1.432e+03 0.00e+00 - 0 1352 1350 1351 0 >> 75 1.030 7.961 22.020 0 U -3.683e+03 0.00e+00 - 0 0 0 0 0 >> 76 1.045 7.698 21.880 0 U -3.962e+03 0.00e+00 - 0 1199 87 1197 0 >> 77 1.029 4.531 22.312 0 U -3.394e+03 0.00e+00 - 0 1356 1350 1908 0 >> 78 1.039 3.938 21.912 0 U -6.998e+03 0.00e+00 - 0 0 0 0 0 >> 79 0.871 7.951 23.413 0 U -1.508e+03 0.00e+00 - 0 1719 1723 1717 0 >> 80 0.870 4.435 23.424 0 U -4.868e+03 0.00e+00 - 0 1719 1711 1717 0 >> 81 0.868 3.838 23.809 0 U -4.264e+03 0.00e+00 - 0 0 0 0 0 >> 82 0.871 3.579 23.459 0 U -1.604e+03 0.00e+00 - 0 1719 1301 1717 0 >> 83 1.465 7.948 40.894 0 U -1.536e+03 0.00e+00 - 0 1715 1723 1713 0 >> 84 1.459 4.433 40.942 0 U -1.038e+03 0.00e+00 - 0 1715 1711 1713 0 >> 85 1.476 0.880 40.984 0 U -2.667e+03 0.00e+00 - 0 0 0 0 0 >> 86 4.439 3.585 53.381 0 U 2.833e+03 0.00e+00 - 0 1711 1301 1712 0 >> 87 4.446 0.797 53.641 0 U 2.230e+03 0.00e+00 - 0 899 1430 781 0 >> 88 0.903 3.575 24.999 0 U -1.144e+03 0.00e+00 - 0 1720 1301 1718 0 >> 89 2.297 8.447 32.085 0 U -1.018e+03 0.00e+00 - 0 1848 5 1296 0 >> 90 2.028 4.438 27.233 0 U -1.424e+03 0.00e+00 - 0 0 0 0 0 >> 91 2.025 1.506 27.304 0 U -7.266e+02 0.00e+00 - 0 0 0 0 0 >> 92 3.821 4.441 50.307 0 U 8.502e+02 0.00e+00 - 0 0 0 0 0 >> 93 3.819 2.021 50.279 0 U 1.096e+03 0.00e+00 - 0 1849 1298 1300 0 >> 94 1.468 4.169 19.406 0 U -9.462e+03 0.00e+00 - 0 0 0 0 0 >> 95 2.064 0.997 31.730 0 U -4.708e+03 0.00e+00 - 0 0 0 0 0 >> 96 3.954 1.014 65.957 0 U 3.733e+03 0.00e+00 - 0 0 0 0 0 >> 97 0.985 3.940 20.776 0 U -4.441e+03 0.00e+00 - 0 0 0 0 0 >> 98 0.982 2.061 20.752 0 U -8.078e+03 0.00e+00 - 0 0 0 0 0 >> 99 0.718 7.131 23.303 0 U -1.737e+03 0.00e+00 - 0 1900 1828 1899 0 >> 100 0.717 2.502 23.308 0 U -9.454e+02 0.00e+00 - 0 0 0 0 0 >> 101 0.718 1.800 23.286 0 U -3.137e+03 0.00e+00 - 0 1900 1896 1899 0 >> 102 0.717 1.526 23.274 0 U -3.048e+03 0.00e+00 - 0 1900 1446 1899 0 >> 103 1.812 8.436 27.550 0 U -9.383e+02 0.00e+00 - 0 1896 5 1895 0 >> 104 1.798 0.941 27.034 0 U -4.130e+03 0.00e+00 - 0 0 0 0 0 >> 105 1.956 0.902 41.549 0 U -1.707e+03 0.00e+00 - 0 0 0 0 0 >> 106 0.885 8.436 26.160 0 U -1.008e+03 0.00e+00 - 0 1898 5 1897 0 >> 107 0.891 7.127 26.210 0 U -1.359e+03 0.00e+00 - 0 1898 1828 1897 0 >> 108 0.891 1.513 26.117 0 U -3.747e+03 0.00e+00 - 0 0 0 0 0 >> 109 3.373 7.828 38.412 0 U -8.470e+02 0.00e+00 - 0 1284 15 1086 0 >> 110 3.530 7.314 38.535 0 U -7.125e+02 0.00e+00 - 0 949 1178 1086 0 >> 111 0.894 3.511 17.848 0 U -1.614e+03 0.00e+00 - 0 1508 895 1507 0 >> 112 0.892 2.255 17.822 0 U -7.022e+02 0.00e+00 - 0 1508 1510 1507 0 >> 113 0.890 1.959 17.316 0 U -7.634e+03 0.00e+00 - 0 1502 948 1235 0 >> 114 1.970 0.873 37.904 0 U -2.143e+03 0.00e+00 - 0 0 0 0 0 >> 115 3.517 0.885 66.492 0 U 1.828e+03 0.00e+00 - 0 0 0 0 0 >> 116 0.895 8.661 14.605 0 U -8.520e+02 0.00e+00 - 0 1194 41 1195 0 >> 117 0.901 8.280 14.567 0 U -8.179e+02 0.00e+00 - 0 1194 11 1195 0 >> 118 0.900 4.144 14.579 0 U -1.283e+03 0.00e+00 - 0 0 0 0 0 >> 119 3.235 8.929 32.699 0 U -6.413e+02 0.00e+00 - 0 1282 59 1045 0 >> 120 3.238 3.915 32.930 0 U -7.276e+02 0.00e+00 - 0 1282 1885 1045 0 >> 121 3.757 8.217 60.713 0 U 9.719e+02 0.00e+00 - 0 0 0 0 0 >> 122 3.939 8.362 59.256 0 U 1.712e+03 0.00e+00 - 0 0 0 0 0 >> 123 1.948 8.426 34.360 0 U -1.308e+03 0.00e+00 - 0 1279 75 1278 0 >> 124 1.933 6.490 34.363 0 U -7.174e+02 0.00e+00 - 0 1279 1693 1278 0 >> 125 1.943 3.889 34.407 0 U -1.379e+03 0.00e+00 - 0 1279 900 1278 0 >> 126 1.907 7.309 34.437 0 U -8.099e+02 0.00e+00 - 0 1280 1178 1278 0 >> 127 0.978 7.589 18.366 0 U -1.871e+03 0.00e+00 - 0 1239 1843 1238 0 >> 128 0.979 4.277 18.318 0 U -2.971e+03 0.00e+00 - 0 1239 927 1238 0 >> 129 0.980 1.709 17.990 0 U -9.713e+02 0.00e+00 - 0 0 0 0 0 >> 130 3.482 1.995 65.744 0 U 8.867e+02 0.00e+00 - 0 0 0 0 0 >> 131 3.484 0.921 65.850 0 U 1.331e+03 0.00e+00 - 0 912 1515 768 0 >> 132 3.485 0.726 65.567 0 U 7.035e+02 0.00e+00 - 0 0 0 0 0 >> 133 0.828 4.274 17.292 0 U -1.225e+03 0.00e+00 - 0 1444 924 1445 0 >> 134 0.951 3.919 17.207 0 U -1.877e+03 0.00e+00 - 0 1275 893 1276 0 >> 135 2.269 0.959 34.261 0 U -8.541e+02 0.00e+00 - 0 970 1275 1067 0 >> 136 3.923 0.676 61.880 0 U 9.236e+02 0.00e+00 - 0 893 1192 783 0 >> 137 0.682 7.172 8.958 0 U -2.332e+02 0.00e+00 - 0 1192 1777 1193 0 >> 138 0.682 3.902 8.927 0 U -3.020e+03 0.00e+00 - 0 1192 893 1193 0 >> 139 0.680 2.037 8.917 0 U -2.238e+03 0.00e+00 - 0 1192 1506 1193 0 >> 140 0.683 1.290 8.931 0 U -9.170e+02 0.00e+00 - 0 1192 1274 1193 0 >> 141 0.873 8.541 24.041 0 U -1.656e+03 0.00e+00 - 0 0 0 0 0 >> 142 1.286 8.559 41.032 0 U -5.619e+02 0.00e+00 - 0 0 0 0 0 >> 143 0.715 8.548 25.770 0 U -1.133e+03 0.00e+00 - 0 0 0 0 0 >> 144 2.039 8.533 41.004 0 U -5.704e+02 0.00e+00 - 0 0 0 0 0 >> 145 2.023 1.288 40.965 0 U -8.691e+02 0.00e+00 - 0 0 0 0 0 >> 146 2.043 0.873 41.119 0 U -8.691e+02 0.00e+00 - 0 0 0 0 0 >> 147 1.645 8.677 18.996 0 U -1.301e+03 0.00e+00 - 0 979 111 1053 0 >> 148 1.646 8.278 18.978 0 U -3.060e+03 0.00e+00 - 0 979 19 1053 0 >> 149 1.646 3.927 18.989 0 U -4.646e+03 0.00e+00 - 0 0 0 0 0 >> 150 3.942 1.640 55.480 0 U 1.527e+03 0.00e+00 - 0 0 0 0 0 >> 151 3.266 3.942 43.075 0 U -7.134e+02 0.00e+00 - 0 1635 939 1634 0 >> 152 3.272 1.523 43.178 0 U -1.755e+03 0.00e+00 - 0 1635 1871 1634 0 >> 153 2.873 8.507 42.026 0 U -1.319e+03 0.00e+00 - 0 953 191 1066 0 >> 154 2.901 1.630 42.104 0 U -8.180e+03 0.00e+00 - 0 0 0 0 0 >> 155 1.637 8.093 41.781 0 U -1.232e+03 0.00e+00 - 0 0 0 0 0 >> 156 1.628 3.938 41.557 0 U -9.710e+02 0.00e+00 - 0 0 0 0 0 >> 157 1.629 0.943 41.402 0 U -2.811e+03 0.00e+00 - 0 0 0 0 0 >> 158 1.051 2.631 23.651 0 U -9.994e+02 0.00e+00 - 0 1484 1324 1482 0 >> 159 1.213 8.264 21.899 0 U -1.800e+03 0.00e+00 - 0 1341 121 1342 0 >> 160 1.214 4.702 21.366 0 U -5.953e+03 0.00e+00 - 0 1804 1423 1803 0 >> 161 1.215 4.310 21.871 0 U -6.527e+03 0.00e+00 - 0 1341 969 1342 0 >> 162 4.308 8.266 68.425 0 U 1.463e+03 0.00e+00 - 0 969 121 1090 0 >> 163 4.317 1.209 68.513 0 U 3.374e+03 0.00e+00 - 0 969 1341 1090 0 >> 164 3.751 8.267 66.433 0 U 1.196e+03 0.00e+00 - 0 0 0 0 0 >> 165 3.753 1.930 66.591 0 U 8.572e+02 0.00e+00 - 0 889 965 795 0 >> 166 3.760 1.214 66.490 0 U 1.762e+03 0.00e+00 - 0 889 1341 795 0 >> 167 3.774 1.274 59.269 0 U 9.336e+02 0.00e+00 - 0 929 1607 757 0 >> 168 2.844 6.694 42.050 0 U -1.029e+03 0.00e+00 - 0 0 0 0 0 >> 169 1.044 1.598 28.198 0 U -6.905e+02 0.00e+00 - 0 1605 1008 1603 0 >> 170 1.583 1.012 32.072 0 U -1.598e+03 0.00e+00 - 0 0 0 0 0 >> 171 2.764 1.026 42.156 0 U -2.807e+03 0.00e+00 - 0 0 0 0 0 >> 172 1.952 8.256 29.694 0 U -1.219e+03 0.00e+00 - 0 965 29 1049 0 >> 173 1.823 4.051 26.599 0 U -9.979e+02 0.00e+00 - 0 1645 935 1632 0 >> 174 3.980 7.866 46.830 0 U -9.162e+02 0.00e+00 - 0 1271 171 808 0 >> 175 0.786 8.342 22.024 0 U -1.211e+03 0.00e+00 - 0 1430 95 1428 0 >> 176 0.789 2.769 22.091 0 U -9.256e+02 0.00e+00 - 0 1430 1018 1428 0 >> 177 1.357 7.589 25.728 0 U -7.075e+02 0.00e+00 - 0 1839 1843 1237 0 >> 178 0.902 2.767 25.518 0 U -1.424e+03 0.00e+00 - 0 1487 1018 1486 0 >> 179 2.156 4.282 37.958 0 U -1.025e+03 0.00e+00 - 0 963 927 1044 0 >> 180 4.289 2.152 61.941 0 U 1.318e+03 0.00e+00 - 0 0 0 0 0 >> 181 0.753 2.133 14.807 0 U -3.036e+03 0.00e+00 - 0 1190 963 1191 0 >> 182 0.752 1.671 14.851 0 U -8.290e+02 0.00e+00 - 0 0 0 0 0 >> 183 0.754 1.352 14.801 0 U -5.013e+03 0.00e+00 - 0 0 0 0 0 >> 184 1.214 6.746 21.368 0 U -1.745e+03 0.00e+00 - 0 1804 131 1803 0 >> 185 1.294 7.138 22.463 0 U -1.119e+03 0.00e+00 - 0 1265 1675 1266 0 >> 186 1.291 6.793 22.496 0 U -1.271e+03 0.00e+00 - 0 1265 1773 1266 0 >> 187 4.086 1.278 66.367 0 U 1.495e+03 0.00e+00 - 0 1261 1265 1262 0 >> 188 0.975 2.547 20.704 0 U -1.438e+03 0.00e+00 - 0 1198 1929 1196 0 >> 189 4.272 7.137 60.888 0 U 1.969e+03 0.00e+00 - 0 0 0 0 0 >> 190 0.951 6.707 26.822 0 U -1.347e+03 0.00e+00 - 0 0 0 0 0 >> 191 0.953 1.622 25.549 0 U -6.112e+03 0.00e+00 - 0 0 0 0 0 >> 192 1.148 1.692 41.075 0 U -1.113e+03 0.00e+00 - 0 991 1028 1059 0 >> 193 0.924 4.038 24.385 0 U -3.100e+03 0.00e+00 - 0 1456 913 1454 0 >> 194 1.682 8.345 41.065 0 U -6.513e+02 0.00e+00 - 0 1028 21 1059 0 >> 195 3.653 2.071 59.832 0 U 1.779e+03 0.00e+00 - 0 0 0 0 0 >> 196 2.218 4.342 31.961 0 U -3.125e+03 0.00e+00 - 0 1403 1401 1402 0 >> 197 1.874 4.359 31.905 0 U -2.704e+03 0.00e+00 - 0 0 0 0 0 >> 198 2.244 7.945 36.431 0 U -1.127e+03 0.00e+00 - 0 1204 89 1203 0 >> 199 2.734 4.478 38.200 0 U -1.556e+03 0.00e+00 - 0 1032 888 1089 0 >> 200 2.947 8.382 38.282 0 U -1.464e+03 0.00e+00 - 0 988 85 1089 0 >> 201 0.863 1.905 22.134 0 U -5.884e+03 0.00e+00 - 0 1477 1481 1476 0 >> 202 1.916 7.852 26.684 0 U -8.844e+02 0.00e+00 - 0 1497 73 1494 0 >> 203 4.116 7.785 59.182 0 U 1.330e+03 0.00e+00 - 0 902 39 752 0 >> 204 1.967 7.812 31.840 0 U -1.395e+03 0.00e+00 - 0 0 0 0 0 >> 205 1.965 4.109 31.805 0 U -1.994e+03 0.00e+00 - 0 1208 902 1073 0 >> 206 2.990 4.127 42.174 0 U -8.049e+02 0.00e+00 - 0 1216 902 1215 0 >> 207 1.754 2.987 28.775 0 U -3.261e+03 0.00e+00 - 0 1213 1216 1212 0 >> 208 0.944 7.787 22.614 0 U -2.936e+03 0.00e+00 - 0 0 0 0 0 >> 209 0.752 7.850 26.536 0 U -9.412e+02 0.00e+00 - 0 1496 73 1493 0 >> 210 0.753 3.940 26.505 0 U -1.343e+03 0.00e+00 - 0 0 0 0 0 >> 211 0.755 1.930 26.446 0 U -6.061e+03 0.00e+00 - 0 0 0 0 0 >> 212 1.944 8.095 41.630 0 U -7.065e+02 0.00e+00 - 0 1029 93 1043 0 >> 213 0.814 6.758 24.584 0 U -1.275e+03 0.00e+00 - 0 0 0 0 0 >> 214 0.816 1.612 24.569 0 U -4.983e+03 0.00e+00 - 0 0 0 0 0 >> 215 4.053 8.262 58.589 0 U 1.654e+03 0.00e+00 - 0 935 29 747 0 >> 216 2.538 7.838 33.681 0 U -2.695e+03 0.00e+00 - 0 1218 1683 1217 0 >> 217 2.535 1.967 33.926 0 U -1.837e+03 0.00e+00 - 0 1223 989 1222 0 >> 218 2.470 8.354 39.956 0 U -5.966e+02 0.00e+00 - 0 1009 61 1083 0 >> 219 1.307 8.284 17.783 0 U -2.314e+03 0.00e+00 - 0 964 11 1037 0 >> 220 1.309 7.933 17.763 0 U -1.120e+03 0.00e+00 - 0 964 137 1037 0 >> 221 1.306 3.830 17.774 0 U -3.024e+03 0.00e+00 - 0 964 930 1037 0 >> 222 1.309 2.010 17.772 0 U -9.014e+02 0.00e+00 - 0 0 0 0 0 >> 223 3.839 1.300 54.820 0 U 1.864e+03 0.00e+00 - 0 930 964 738 0 >> 224 2.665 7.382 36.303 0 U -1.291e+03 0.00e+00 - 0 1220 127 1219 0 >> 225 2.667 4.270 36.415 0 U -2.184e+03 0.00e+00 - 0 1220 919 1219 0 >> 226 2.388 7.382 36.425 0 U -1.045e+03 0.00e+00 - 0 1221 127 1219 0 >> 227 2.268 4.263 29.945 0 U -9.085e+02 0.00e+00 - 0 1015 919 1051 0 >> 228 3.785 4.371 63.556 0 U 2.620e+03 0.00e+00 - 0 1585 1577 1583 0 >> 229 4.370 3.816 58.546 0 U 4.062e+03 0.00e+00 - 0 0 0 0 0 >> 230 3.894 7.450 63.550 0 U 1.171e+03 0.00e+00 - 0 1345 129 1347 0 >> 231 1.635 4.269 41.240 0 U -9.071e+02 0.00e+00 - 0 1852 1290 1291 0 >> 232 1.056 8.093 23.914 0 U -1.131e+03 0.00e+00 - 0 1484 57 1482 0 >> 233 1.063 4.409 24.136 0 U -1.162e+03 0.00e+00 - 0 1754 925 1752 0 >> 234 1.061 3.464 24.150 0 U -2.201e+03 0.00e+00 - 0 1754 1761 1752 0 >> 235 1.056 2.146 23.855 0 U -4.640e+03 0.00e+00 - 0 0 0 0 0 >> 236 0.897 7.113 21.566 0 U -8.473e+02 0.00e+00 - 0 0 0 0 0 >> 237 0.902 4.404 21.568 0 U -1.373e+03 0.00e+00 - 0 1751 925 1750 0 >> 238 0.899 3.454 21.471 0 U -1.439e+03 0.00e+00 - 0 1751 1761 1750 0 >> 239 1.553 7.670 17.528 0 U -2.226e+03 0.00e+00 - 0 1734 103 1733 0 >> 240 1.553 0.925 17.589 0 U -1.906e+03 0.00e+00 - 0 0 0 0 0 >> 241 1.191 7.983 24.580 0 U -1.217e+03 0.00e+00 - 0 1363 1965 1362 0 >> 242 1.189 7.129 24.612 0 U -1.616e+03 0.00e+00 - 0 1363 1828 1362 0 >> 243 1.190 3.183 24.607 0 U -2.992e+03 0.00e+00 - 0 0 0 0 0 >> 244 3.183 1.177 66.757 0 U 1.215e+03 0.00e+00 - 0 0 0 0 0 >> 245 3.180 0.859 66.852 0 U 1.037e+03 0.00e+00 - 0 1358 1364 1357 0 >> 246 0.947 8.617 21.850 0 U -1.468e+03 0.00e+00 - 0 1340 145 1339 0 >> 247 0.947 3.674 21.913 0 U -2.856e+03 0.00e+00 - 0 1340 890 1339 0 >> 248 0.930 1.618 22.907 0 U -7.554e+03 0.00e+00 - 0 1857 1852 1855 0 >> 249 4.021 0.937 68.606 0 U 1.563e+03 0.00e+00 - 0 1338 1340 1076 0 >> 250 3.678 0.921 66.181 0 U 2.120e+03 0.00e+00 - 0 0 0 0 0 >> 251 3.977 1.631 58.607 0 U 1.659e+03 0.00e+00 - 0 0 0 0 0 >> 252 1.971 7.826 27.704 0 U -1.124e+03 0.00e+00 - 0 989 49 1078 0 >> 253 1.974 3.978 27.697 0 U -1.395e+03 0.00e+00 - 0 989 897 1078 0 >> 254 1.976 2.517 27.686 0 U -9.128e+02 0.00e+00 - 0 989 1223 1078 0 >> 255 2.365 7.816 34.051 0 U -1.403e+03 0.00e+00 - 0 1224 49 1222 0 >> 256 -0.030 6.765 23.260 0 U -8.900e+02 0.00e+00 - 0 1391 1832 1392 0 >> 257 -0.029 3.702 23.343 0 U -1.462e+03 0.00e+00 - 0 1391 921 1392 0 >> 258 0.164 6.773 26.008 0 U -1.058e+03 0.00e+00 - 0 1394 1832 1395 0 >> 259 1.743 3.716 41.993 0 U -6.684e+02 0.00e+00 - 0 1033 921 1050 0 >> 260 2.121 7.777 31.533 0 U -9.781e+02 0.00e+00 - 0 980 117 1048 0 >> 261 2.126 0.949 31.378 0 U -2.727e+03 0.00e+00 - 0 0 0 0 0 >> 262 3.344 0.924 67.439 0 U 3.266e+03 0.00e+00 - 0 0 0 0 0 >> 263 0.927 8.059 22.744 0 U -1.306e+03 0.00e+00 - 0 0 0 0 0 >> 264 1.635 8.027 26.090 0 U -6.901e+02 0.00e+00 - 0 1243 115 1242 0 >> 265 1.718 1.142 29.316 0 U -3.601e+03 0.00e+00 - 0 1233 1234 1232 0 >> 266 1.637 2.898 29.221 0 U -3.036e+03 0.00e+00 - 0 1247 1249 1245 0 >> 267 3.954 0.830 59.612 0 U 1.487e+03 0.00e+00 - 0 881 1186 786 0 >> 268 1.286 0.739 26.263 0 U -1.243e+03 0.00e+00 - 0 0 0 0 0 >> 269 1.731 1.057 40.298 0 U -7.803e+02 0.00e+00 - 0 1019 998 1055 0 >> 270 3.650 0.679 57.056 0 U 7.929e+02 0.00e+00 - 0 914 1504 748 0 >> 271 0.347 3.642 23.013 0 U -2.062e+03 0.00e+00 - 0 1397 914 1396 0 >> 272 1.081 1.705 40.305 0 U -6.864e+02 0.00e+00 - 0 998 1019 1055 0 >> 273 3.835 1.373 57.783 0 U 9.165e+02 0.00e+00 - 0 0 0 0 0 >> 274 3.841 0.869 57.653 0 U 1.455e+03 0.00e+00 - 0 906 1230 785 0 >> 275 0.797 3.858 25.834 0 U -2.024e+03 0.00e+00 - 0 0 0 0 0 >> 276 0.792 1.378 25.814 0 U -2.188e+03 0.00e+00 - 0 0 0 0 0 >> 277 0.890 7.590 17.177 0 U -2.619e+03 0.00e+00 - 0 0 0 0 0 >> 278 1.151 7.591 29.314 0 U -7.256e+02 0.00e+00 - 0 0 0 0 0 >> 279 1.157 3.690 29.444 0 U -6.151e+02 0.00e+00 - 0 1234 883 1232 0 >> 280 1.151 1.712 29.320 0 U -3.261e+03 0.00e+00 - 0 1234 1233 1232 0 >> 281 1.718 7.585 29.174 0 U -1.008e+03 0.00e+00 - 0 0 0 0 0 >> 282 1.959 7.589 37.855 0 U -1.543e+03 0.00e+00 - 0 0 0 0 0 >> 283 0.839 7.583 12.935 0 U -1.624e+03 0.00e+00 - 0 1186 77 1187 0 >> 284 0.838 3.956 12.923 0 U -2.558e+03 0.00e+00 - 0 1186 881 1187 0 >> 285 3.568 7.597 65.806 0 U 8.602e+02 0.00e+00 - 0 0 0 0 0 >> 286 0.684 7.612 13.817 0 U -1.019e+03 0.00e+00 - 0 1504 37 1503 0 >> 287 0.683 7.248 13.753 0 U -1.033e+03 0.00e+00 - 0 1504 1669 1503 0 >> 288 0.607 7.716 17.994 0 U -1.292e+03 0.00e+00 - 0 1269 67 1268 0 >> 289 0.607 6.727 17.978 0 U -3.174e+03 0.00e+00 - 0 0 0 0 0 >> 290 0.607 3.541 17.955 0 U -1.540e+03 0.00e+00 - 0 1269 926 1268 0 >> 291 0.608 1.767 17.975 0 U -3.289e+03 0.00e+00 - 0 1269 962 1268 0 >> 292 0.609 1.225 17.968 0 U -2.161e+03 0.00e+00 - 0 1269 1270 1268 0 >> 293 1.235 8.351 27.882 0 U -7.517e+02 0.00e+00 - 0 0 0 0 0 >> 294 1.232 7.717 27.812 0 U -1.005e+03 0.00e+00 - 0 1270 67 1267 0 >> 295 1.236 4.048 27.982 0 U -7.166e+02 0.00e+00 - 0 0 0 0 0 >> 296 1.237 3.536 27.792 0 U -7.204e+02 0.00e+00 - 0 1270 926 1267 0 >> 297 1.232 1.758 27.843 0 U -1.198e+03 0.00e+00 - 0 1270 962 1267 0 >> 298 1.769 7.717 36.608 0 U -1.723e+03 0.00e+00 - 0 962 67 1042 0 >> 299 1.772 0.613 36.582 0 U -2.360e+03 0.00e+00 - 0 0 0 0 0 >> 300 3.560 6.749 62.076 0 U 1.258e+03 0.00e+00 - 0 0 0 0 0 >> 301 3.545 0.616 62.041 0 U 1.054e+03 0.00e+00 - 0 0 0 0 0 >> 302 0.657 8.373 12.929 0 U -1.239e+03 0.00e+00 - 0 0 0 0 0 >> 303 0.658 6.714 12.899 0 U -2.892e+03 0.00e+00 - 0 0 0 0 0 >> 304 0.658 2.100 12.929 0 U -1.200e+03 0.00e+00 - 0 1185 1543 1184 0 >> 305 0.660 1.761 12.935 0 U -1.549e+03 0.00e+00 - 0 1185 962 1184 0 >> 306 0.657 1.498 12.898 0 U -2.087e+03 0.00e+00 - 0 0 0 0 0 >> 307 0.661 1.225 12.900 0 U -3.618e+03 0.00e+00 - 0 1185 1270 1184 0 >> 308 1.521 2.993 26.292 0 U -2.625e+03 0.00e+00 - 0 0 0 0 0 >> 309 3.517 4.464 50.274 0 U 1.875e+03 0.00e+00 - 0 1410 944 1408 0 >> 310 4.345 8.460 62.951 0 U 2.499e+03 0.00e+00 - 0 1401 3 1400 0 >> 311 4.348 2.216 62.893 0 U 3.776e+03 0.00e+00 - 0 1401 1403 1400 0 >> 312 4.351 1.886 62.940 0 U 2.812e+03 0.00e+00 - 0 0 0 0 0 >> 313 4.342 1.346 62.967 0 U 1.662e+03 0.00e+00 - 0 1401 968 1400 0 >> 314 1.364 8.464 19.081 0 U -3.157e+03 0.00e+00 - 0 968 3 1084 0 >> 315 1.363 7.943 19.078 0 U -2.138e+03 0.00e+00 - 0 968 1 1084 0 >> 316 4.260 7.952 52.295 0 U 5.174e+03 0.00e+00 - 0 873 1 735 0 >> 317 4.259 1.359 52.273 0 U 6.645e+03 0.00e+00 - 0 873 968 735 0 >> 318 4.115 7.943 57.172 0 U 2.191e+03 0.00e+00 - 0 1658 1 734 0 >> 319 4.115 3.112 57.261 0 U 1.067e+03 0.00e+00 - 0 1658 1657 734 0 >> 320 1.682 7.946 31.323 0 U -9.610e+02 0.00e+00 - 0 1663 1 1661 0 >> 321 1.688 4.105 31.323 0 U -1.198e+03 0.00e+00 - 0 1663 1658 1661 0 >> 322 3.130 4.110 43.355 0 U -1.099e+03 0.00e+00 - 0 1657 1658 1656 0 >> 323 4.270 2.271 57.164 0 U 1.382e+03 0.00e+00 - 0 0 0 0 0 >> 324 1.822 1.473 32.693 0 U -1.697e+03 0.00e+00 - 0 0 0 0 0 >> 325 1.496 4.253 24.822 0 U -7.408e+02 0.00e+00 - 0 0 0 0 0 >> 326 1.489 2.981 24.888 0 U -7.035e+02 0.00e+00 - 0 0 0 0 0 >> 327 1.482 1.967 25.058 0 U -1.832e+03 0.00e+00 - 0 0 0 0 0 >> 328 2.979 1.689 42.018 0 U -1.391e+04 0.00e+00 - 0 0 0 0 0 >> 329 2.983 1.498 42.018 0 U -7.265e+03 0.00e+00 - 0 0 0 0 0 >> 330 1.685 2.969 29.014 0 U -5.950e+03 0.00e+00 - 0 0 0 0 0 >> 331 1.684 1.478 28.955 0 U -1.339e+04 0.00e+00 - 0 0 0 0 0 >> 332 1.864 4.260 32.690 0 U -1.102e+03 0.00e+00 - 0 1622 1620 1621 0 >> 333 1.870 2.237 31.945 0 U -1.213e+04 0.00e+00 - 0 0 0 0 0 >> 334 1.863 1.469 32.727 0 U -2.252e+03 0.00e+00 - 0 0 0 0 0 >> 335 1.482 2.061 25.062 0 U -1.787e+03 0.00e+00 - 0 1211 956 1209 0 >> 336 1.486 8.142 18.115 0 U -2.632e+03 0.00e+00 - 0 975 187 1058 0 >> 337 1.488 8.005 18.413 0 U -1.242e+03 0.00e+00 - 0 1388 208 1389 0 >> 338 1.487 4.345 18.546 0 U -6.523e+03 0.00e+00 - 0 1388 1387 1389 0 >> 339 1.247 4.355 22.103 0 U -5.449e+03 0.00e+00 - 0 1331 967 1330 0 >> 340 1.249 4.190 22.172 0 U -4.049e+03 0.00e+00 - 0 1331 938 1330 0 >> 341 1.216 3.756 21.869 0 U -4.896e+03 0.00e+00 - 0 0 0 0 0 >> 342 1.491 8.353 18.187 0 U -1.208e+03 0.00e+00 - 0 975 236 1058 0 >> 343 1.485 4.162 18.127 0 U -7.011e+03 0.00e+00 - 0 975 941 1058 0 >> 344 2.100 2.384 28.525 0 U -1.871e+03 0.00e+00 - 0 1326 1329 1080 0 >> 345 2.523 4.181 34.391 0 U -1.529e+03 0.00e+00 - 0 1328 937 1327 0 >> 346 2.529 2.375 34.175 0 U -3.017e+04 0.00e+00 - 0 0 0 0 0 >> 347 2.521 2.137 34.529 0 U -7.723e+03 0.00e+00 - 0 0 0 0 0 >> 348 2.175 2.513 28.428 0 U -9.427e+02 0.00e+00 - 0 966 1328 1080 0 >> 349 2.378 2.517 34.191 0 U -2.301e+04 0.00e+00 - 0 0 0 0 0 >> 350 2.391 2.167 34.329 0 U -4.277e+03 0.00e+00 - 0 1329 966 1327 0 >> 351 2.219 1.866 31.947 0 U -1.305e+04 0.00e+00 - 0 0 0 0 0 >> 352 2.111 7.163 16.529 0 U -1.871e+03 0.00e+00 - 0 1543 1941 1544 0 >> 353 2.110 4.169 16.499 0 U -2.289e+03 0.00e+00 - 0 0 0 0 0 >> 354 2.109 4.006 16.499 0 U -1.499e+03 0.00e+00 - 0 1543 916 1544 0 >> 355 2.108 1.892 16.526 0 U -1.109e+03 0.00e+00 - 0 1543 1005 1544 0 >> 356 2.110 1.239 16.536 0 U -2.550e+03 0.00e+00 - 0 1543 1331 1544 0 >> 357 2.110 0.952 16.507 0 U -5.581e+03 0.00e+00 - 0 0 0 0 0 >> 358 2.108 0.819 16.512 0 U -2.252e+03 0.00e+00 - 0 0 0 0 0 >> 359 2.109 0.648 16.507 0 U -3.737e+03 0.00e+00 - 0 1543 1185 1544 0 >> 360 3.981 2.159 59.458 0 U 4.051e+03 0.00e+00 - 0 0 0 0 0 >> 361 2.091 8.205 28.953 0 U -1.486e+03 0.00e+00 - 0 947 53 1087 0 >> 362 2.098 4.052 28.929 0 U -1.445e+03 0.00e+00 - 0 947 882 1087 0 >> 363 2.555 2.198 36.671 0 U -8.226e+03 0.00e+00 - 0 1929 1930 1928 0 >> 364 2.548 1.940 36.625 0 U -1.204e+03 0.00e+00 - 0 1929 1927 1928 0 >> 365 2.204 2.522 36.713 0 U -1.059e+04 0.00e+00 - 0 1930 1929 1928 0 >> 366 2.242 2.059 36.328 0 U -1.868e+04 0.00e+00 - 0 0 0 0 0 >> 367 1.986 7.951 29.341 0 U -1.815e+03 0.00e+00 - 0 957 89 1063 0 >> 368 1.954 0.924 29.250 0 U -2.050e+03 0.00e+00 - 0 1514 1515 1512 0 >> 369 2.393 3.970 35.901 0 U -1.325e+03 0.00e+00 - 0 1321 917 1320 0 >> 370 2.384 2.661 36.387 0 U -1.163e+04 0.00e+00 - 0 1221 1220 1219 0 >> 371 2.391 2.283 35.900 0 U -3.522e+04 0.00e+00 - 0 1321 1322 1320 0 >> 372 2.275 8.201 35.932 0 U -1.319e+03 0.00e+00 - 0 1652 53 1651 0 >> 373 2.272 7.981 35.911 0 U -1.307e+03 0.00e+00 - 0 1322 83 1320 0 >> 374 2.288 4.402 35.846 0 U -8.320e+02 0.00e+00 - 0 0 0 0 0 >> 375 2.280 3.978 35.925 0 U -1.316e+03 0.00e+00 - 0 1322 917 1320 0 >> 376 1.855 3.002 29.606 0 U -9.795e+02 0.00e+00 - 0 1997 1861 1864 0 >> 377 1.859 2.090 29.454 0 U -9.397e+02 0.00e+00 - 0 1997 1023 1864 0 >> 378 1.848 1.517 29.684 0 U -4.737e+03 0.00e+00 - 0 0 0 0 0 >> 379 1.518 1.838 29.663 0 U -4.050e+03 0.00e+00 - 0 1867 1997 1864 0 >> 380 1.591 4.124 26.982 0 U -1.157e+03 0.00e+00 - 0 1308 907 1306 0 >> 381 1.598 3.183 27.050 0 U -3.000e+03 0.00e+00 - 0 1308 1310 1306 0 >> 382 1.640 3.073 26.626 0 U -9.448e+02 0.00e+00 - 0 1647 1644 1632 0 >> 383 3.942 1.668 60.014 0 U 1.974e+03 0.00e+00 - 0 0 0 0 0 >> 384 3.952 1.509 59.858 0 U 1.657e+03 0.00e+00 - 0 0 0 0 0 >> 385 3.943 0.928 59.907 0 U 1.503e+03 0.00e+00 - 0 0 0 0 0 >> 386 2.003 2.193 28.964 0 U -8.882e+03 0.00e+00 - 0 0 0 0 0 >> 387 1.901 1.521 28.012 0 U -3.370e+03 0.00e+00 - 0 1636 1871 1633 0 >> 388 3.210 4.114 43.196 0 U -9.563e+02 0.00e+00 - 0 1310 907 1309 0 >> 389 3.218 3.958 43.311 0 U -9.611e+02 0.00e+00 - 0 1316 898 1315 0 >> 390 3.211 1.892 43.201 0 U -4.931e+03 0.00e+00 - 0 0 0 0 0 >> 391 3.209 1.734 43.184 0 U -3.939e+03 0.00e+00 - 0 1310 1307 1309 0 >> 392 3.207 1.596 43.229 0 U -4.226e+03 0.00e+00 - 0 1310 1308 1309 0 >> 393 2.828 2.730 40.373 0 U -5.439e+03 0.00e+00 - 0 1010 985 1091 0 >> 394 2.717 8.319 40.264 0 U -1.191e+03 0.00e+00 - 0 985 65 1091 0 >> 395 2.711 4.362 40.305 0 U -9.148e+02 0.00e+00 - 0 985 878 1091 0 >> 396 2.722 4.215 40.259 0 U -7.487e+02 0.00e+00 - 0 985 879 1091 0 >> 397 4.383 2.858 57.455 0 U 2.752e+03 0.00e+00 - 0 0 0 0 0 >> 398 4.374 2.732 57.309 0 U 2.066e+03 0.00e+00 - 0 878 985 766 0 >> 399 1.473 8.686 23.468 0 U -7.527e+02 0.00e+00 - 0 1311 111 1312 0 >> 400 1.472 0.941 23.419 0 U -2.924e+03 0.00e+00 - 0 1311 1275 1312 0 >> 401 1.476 0.681 23.477 0 U -1.580e+03 0.00e+00 - 0 1311 1192 1312 0 >> 402 4.245 1.458 68.479 0 U 1.784e+03 0.00e+00 - 0 971 1311 1074 0 >> 403 4.226 1.287 68.347 0 U 3.158e+03 0.00e+00 - 0 1264 1265 1263 0 >> 405 3.864 3.661 65.861 0 U 1.852e+04 0.00e+00 - 0 0 0 0 0 >> 406 3.849 1.473 65.617 0 U 1.123e+03 0.00e+00 - 0 901 1311 807 0 >> 407 1.916 1.726 30.050 0 U -2.331e+03 0.00e+00 - 0 958 1307 1072 0 >> 408 1.898 1.612 30.048 0 U -1.712e+03 0.00e+00 - 0 958 1308 1072 0 >> 409 1.741 1.600 27.052 0 U -1.277e+04 0.00e+00 - 0 1307 1308 1306 0 >> 410 1.608 7.771 26.958 0 U -9.866e+02 0.00e+00 - 0 1308 71 1306 0 >> 411 0.649 6.696 17.705 0 U -1.265e+03 0.00e+00 - 0 981 1668 1035 0 >> 412 0.653 6.552 17.707 0 U -7.926e+02 0.00e+00 - 0 981 1666 1035 0 >> 413 0.608 0.829 17.957 0 U -2.723e+03 0.00e+00 - 0 1269 1505 1268 0 >> 414 2.268 2.532 27.779 0 U -4.078e+03 0.00e+00 - 0 0 0 0 0 >> 415 2.135 2.509 34.661 0 U -4.147e+03 0.00e+00 - 0 1441 1440 1439 0 >> 416 4.579 2.758 55.743 0 U 2.432e+03 0.00e+00 - 0 928 1894 1305 0 >> 417 3.860 4.508 64.526 0 U 9.207e+02 0.00e+00 - 0 1304 940 1041 0 >> 418 3.858 3.973 64.515 0 U 5.303e+03 0.00e+00 - 0 1304 1303 1041 0 >> 419 0.914 7.588 19.645 0 U -3.149e+03 0.00e+00 - 0 1355 1868 1353 0 >> 420 0.913 7.400 19.648 0 U -3.309e+03 0.00e+00 - 0 1355 1729 1353 0 >> 421 0.915 6.739 19.632 0 U -9.426e+02 0.00e+00 - 0 0 0 0 0 >> 422 0.914 2.175 19.642 0 U -4.997e+03 0.00e+00 - 0 1355 1352 1353 0 >> 423 2.184 1.023 34.666 0 U -2.214e+03 0.00e+00 - 0 1352 1356 1351 0 >> 424 2.178 0.906 34.609 0 U -1.877e+03 0.00e+00 - 0 1352 1355 1351 0 >> 425 1.029 6.548 22.323 0 U -1.165e+03 0.00e+00 - 0 1356 1666 1908 0 >> 426 1.032 2.157 22.178 0 U -6.445e+03 0.00e+00 - 0 1356 1352 1908 0 >> 427 0.870 2.040 23.922 0 U -3.945e+03 0.00e+00 - 0 1458 1001 1457 0 >> 428 0.870 1.644 23.501 0 U -9.350e+03 0.00e+00 - 0 0 0 0 0 >> 429 0.870 1.449 23.491 0 U -6.770e+03 0.00e+00 - 0 1719 1715 1717 0 >> 430 1.637 4.051 26.590 0 U -8.621e+02 0.00e+00 - 0 0 0 0 0 >> 431 1.644 1.815 26.607 0 U -7.101e+03 0.00e+00 - 0 1647 1645 1632 0 >> 432 4.441 3.812 53.085 0 U 2.443e+03 0.00e+00 - 0 1711 1849 1712 0 >> 433 4.462 1.529 53.537 0 U 2.176e+03 0.00e+00 - 0 944 1471 741 0 >> 434 0.904 7.959 25.067 0 U -1.235e+03 0.00e+00 - 0 1720 1723 1718 0 >> 435 0.903 4.435 25.134 0 U -1.971e+03 0.00e+00 - 0 0 0 0 0 >> 436 0.905 1.628 25.198 0 U -1.079e+04 0.00e+00 - 0 0 0 0 0 >> 437 0.905 1.453 25.068 0 U -8.267e+03 0.00e+00 - 0 1720 1715 1718 0 >> 438 2.295 4.476 31.990 0 U -2.273e+03 0.00e+00 - 0 1848 1292 1296 0 >> 439 2.288 4.389 31.867 0 U -2.270e+03 0.00e+00 - 0 1705 1708 1704 0 >> 440 2.293 2.008 31.938 0 U -5.892e+03 0.00e+00 - 0 0 0 0 0 >> 441 2.292 1.858 31.916 0 U -1.167e+04 0.00e+00 - 0 0 0 0 0 >> 442 2.028 3.823 27.304 0 U -2.490e+03 0.00e+00 - 0 1298 1849 1297 0 >> 443 2.029 3.591 27.290 0 U -3.161e+03 0.00e+00 - 0 1298 1301 1297 0 >> 444 2.026 2.280 27.325 0 U -5.405e+03 0.00e+00 - 0 0 0 0 0 >> 445 3.818 3.575 50.384 0 U 2.012e+03 0.00e+00 - 0 1849 1301 1300 0 >> 446 3.585 4.438 50.315 0 U 1.390e+03 0.00e+00 - 0 0 0 0 0 >> 447 3.579 3.815 50.359 0 U 2.375e+03 0.00e+00 - 0 1301 1849 1300 0 >> 448 1.470 9.242 19.405 0 U -8.109e+02 0.00e+00 - 0 0 0 0 0 >> 449 1.469 0.260 19.429 0 U -3.201e+03 0.00e+00 - 0 0 0 0 0 >> 450 4.176 1.466 53.567 0 U 6.135e+03 0.00e+00 - 0 0 0 0 0 >> 451 2.076 7.975 31.667 0 U -8.224e+02 0.00e+00 - 0 972 193 1061 0 >> 452 2.073 7.821 31.808 0 U -2.266e+03 0.00e+00 - 0 0 0 0 0 >> 453 2.059 7.697 31.756 0 U -2.037e+03 0.00e+00 - 0 976 87 1101 0 >> 454 2.078 4.109 31.864 0 U -1.212e+03 0.00e+00 - 0 956 902 1073 0 >> 455 2.066 3.932 31.747 0 U -1.434e+03 0.00e+00 - 0 0 0 0 0 >> 456 3.958 2.103 66.114 0 U 8.124e+02 0.00e+00 - 0 904 972 837 0 >> 457 0.993 3.120 20.777 0 U -1.672e+03 0.00e+00 - 0 1287 1955 1285 0 >> 458 0.716 8.436 23.420 0 U -9.468e+02 0.00e+00 - 0 1900 5 1899 0 >> 459 0.717 4.259 23.271 0 U -4.635e+03 0.00e+00 - 0 1900 936 1899 0 >> 460 0.717 2.159 23.248 0 U -2.880e+03 0.00e+00 - 0 0 0 0 0 >> 461 0.718 1.173 23.232 0 U -1.778e+03 0.00e+00 - 0 1900 1363 1899 0 >> 462 1.797 4.274 27.204 0 U -1.124e+03 0.00e+00 - 0 0 0 0 0 >> 463 1.807 0.714 27.495 0 U -1.110e+03 0.00e+00 - 0 1896 1900 1895 0 >> 464 1.882 1.610 41.221 0 U -3.874e+03 0.00e+00 - 0 1851 1852 1291 0 >> 465 0.891 6.728 26.087 0 U -7.869e+02 0.00e+00 - 0 1898 1832 1897 0 >> 466 0.889 4.398 26.147 0 U -1.814e+03 0.00e+00 - 0 1898 943 1897 0 >> 467 0.890 4.262 26.240 0 U -1.247e+03 0.00e+00 - 0 1898 936 1897 0 >> 468 0.888 3.212 26.224 0 U -1.187e+03 0.00e+00 - 0 1898 1282 1897 0 >> 469 0.891 2.168 26.193 0 U -1.073e+03 0.00e+00 - 0 0 0 0 0 >> 470 0.889 1.813 26.192 0 U -1.749e+03 0.00e+00 - 0 1898 1896 1897 0 >> 471 0.889 1.178 26.112 0 U -3.777e+03 0.00e+00 - 0 1898 1363 1897 0 >> 472 1.291 2.001 41.003 0 U -1.269e+03 0.00e+00 - 0 0 0 0 0 >> 473 1.276 0.864 41.041 0 U -1.557e+03 0.00e+00 - 0 0 0 0 0 >> 474 1.283 0.735 41.067 0 U -3.707e+02 0.00e+00 - 0 0 0 0 0 >> 475 3.372 4.488 38.325 0 U -7.707e+02 0.00e+00 - 0 1284 885 1086 0 >> 476 3.358 3.516 38.504 0 U -1.600e+03 0.00e+00 - 0 1284 949 1086 0 >> 477 3.371 3.160 38.697 0 U -9.852e+02 0.00e+00 - 0 1738 1741 1740 0 >> 478 3.532 7.852 38.589 0 U -8.259e+02 0.00e+00 - 0 949 15 1086 0 >> 479 3.534 3.348 38.430 0 U -1.259e+03 0.00e+00 - 0 949 1284 1086 0 >> 480 0.890 4.147 17.765 0 U -7.617e+02 0.00e+00 - 0 0 0 0 0 >> 481 0.890 1.148 17.330 0 U -4.436e+03 0.00e+00 - 0 1502 1234 1235 0 >> 482 1.156 0.857 29.271 0 U -1.834e+03 0.00e+00 - 0 0 0 0 0 >> 483 2.204 2.005 28.889 0 U -5.511e+03 0.00e+00 - 0 0 0 0 0 >> 484 0.902 3.827 14.589 0 U -8.601e+02 0.00e+00 - 0 1194 930 1195 0 >> 485 0.901 3.519 14.630 0 U -7.055e+02 0.00e+00 - 0 0 0 0 0 >> 486 0.902 2.973 14.599 0 U -8.858e+02 0.00e+00 - 0 1194 984 1195 0 >> 487 0.899 2.473 14.584 0 U -1.430e+03 0.00e+00 - 0 1194 1009 1195 0 >> 488 0.899 2.242 14.604 0 U -2.124e+03 0.00e+00 - 0 1194 1510 1195 0 >> 489 0.903 1.980 14.662 0 U -1.628e+03 0.00e+00 - 0 1194 977 1195 0 >> 490 0.899 1.293 14.647 0 U -2.317e+03 0.00e+00 - 0 1194 964 1195 0 >> 491 0.903 1.208 14.636 0 U -2.236e+03 0.00e+00 - 0 1194 1509 1195 0 >> 492 4.262 3.887 58.968 0 U 2.612e+03 0.00e+00 - 0 1346 1345 799 0 >> 493 3.751 3.217 60.764 0 U 1.125e+03 0.00e+00 - 0 903 982 797 0 >> 494 3.761 2.249 60.756 0 U 8.261e+02 0.00e+00 - 0 903 970 797 0 >> 495 1.904 8.437 29.274 0 U -8.813e+02 0.00e+00 - 0 1004 75 1097 0 >> 496 1.941 3.923 29.098 0 U -1.675e+03 0.00e+00 - 0 1927 1649 1650 0 >> 497 1.951 3.533 34.430 0 U -6.583e+02 0.00e+00 - 0 0 0 0 0 >> 498 1.947 0.939 34.320 0 U -4.304e+02 0.00e+00 - 0 1279 1495 1278 0 >> 499 1.952 0.734 34.438 0 U -8.398e+02 0.00e+00 - 0 0 0 0 0 >> 500 1.915 8.431 34.394 0 U -1.212e+03 0.00e+00 - 0 1280 75 1278 0 >> 501 1.908 6.487 34.333 0 U -8.181e+02 0.00e+00 - 0 1280 1693 1278 0 >> 502 1.929 0.948 34.259 0 U -6.117e+02 0.00e+00 - 0 0 0 0 0 >> 503 1.914 0.733 34.402 0 U -9.114e+02 0.00e+00 - 0 0 0 0 0 >> 504 0.979 7.131 18.029 0 U -1.715e+03 0.00e+00 - 0 1513 1777 1511 0 >> 505 0.981 6.986 17.990 0 U -1.738e+03 0.00e+00 - 0 1513 1836 1511 0 >> 506 0.977 3.479 17.950 0 U -1.509e+03 0.00e+00 - 0 1513 912 1511 0 >> 507 0.979 2.131 18.186 0 U -5.067e+03 0.00e+00 - 0 0 0 0 0 >> 508 0.980 1.979 18.027 0 U -2.222e+03 0.00e+00 - 0 0 0 0 0 >> 509 0.979 1.339 18.200 0 U -3.385e+03 0.00e+00 - 0 1239 1839 1238 0 >> 511 0.979 0.344 18.310 0 U -1.843e+03 0.00e+00 - 0 1239 1397 1238 0 >> 512 2.143 0.967 37.825 0 U -1.629e+03 0.00e+00 - 0 0 0 0 0 >> 513 2.134 0.825 37.650 0 U -9.361e+02 0.00e+00 - 0 978 1444 1052 0 >> 514 0.834 3.480 17.294 0 U -8.044e+02 0.00e+00 - 0 1444 912 1445 0 >> 515 0.832 2.099 17.402 0 U -1.841e+03 0.00e+00 - 0 1444 978 1445 0 >> 516 0.830 1.960 17.318 0 U -3.309e+03 0.00e+00 - 0 1444 1514 1445 0 >> 517 0.815 1.779 17.953 0 U -1.142e+03 0.00e+00 - 0 1188 1317 1189 0 >> 518 0.952 4.355 17.210 0 U -1.305e+03 0.00e+00 - 0 1275 1436 1276 0 >> 519 0.949 3.699 17.145 0 U -9.509e+02 0.00e+00 - 0 1275 1906 1276 0 >> 520 0.950 3.413 17.239 0 U -9.230e+02 0.00e+00 - 0 1275 1907 1276 0 >> 521 0.951 2.267 17.203 0 U -3.896e+03 0.00e+00 - 0 1275 970 1276 0 >> 522 0.949 2.003 17.277 0 U -2.213e+03 0.00e+00 - 0 0 0 0 0 >> 523 0.950 1.630 17.273 0 U -1.049e+03 0.00e+00 - 0 1275 979 1276 0 >> 524 0.950 1.464 17.206 0 U -2.203e+03 0.00e+00 - 0 1275 1311 1276 0 >> 525 0.949 1.291 17.270 0 U -1.990e+03 0.00e+00 - 0 1275 1274 1276 0 >> 526 0.950 0.674 17.273 0 U -4.277e+03 0.00e+00 - 0 1275 1192 1276 0 >> 527 1.339 0.934 26.995 0 U -2.623e+03 0.00e+00 - 0 0 0 0 0 >> 529 2.264 2.534 33.522 0 U -3.149e+03 0.00e+00 - 0 0 0 0 0 >> 530 2.251 2.099 33.531 0 U -5.945e+03 0.00e+00 - 0 1201 1202 1200 0 >> 531 0.677 4.323 8.937 0 U -8.731e+02 0.00e+00 - 0 1192 1436 1193 0 >> 532 0.679 0.946 8.933 0 U -3.925e+03 0.00e+00 - 0 0 0 0 0 >> 533 2.270 4.049 35.971 0 U -1.337e+03 0.00e+00 - 0 1652 882 1651 0 >> 534 2.227 8.201 36.027 0 U -1.107e+03 0.00e+00 - 0 1653 53 1651 0 >> 535 2.229 4.065 35.947 0 U -9.215e+02 0.00e+00 - 0 1653 882 1651 0 >> 536 4.069 2.070 59.383 0 U 2.867e+03 0.00e+00 - 0 882 947 760 0 >> 537 0.877 3.937 24.056 0 U -3.342e+03 0.00e+00 - 0 1458 910 1457 0 >> 538 0.870 3.643 23.829 0 U -1.519e+03 0.00e+00 - 0 0 0 0 0 >> 539 0.872 1.920 23.976 0 U -3.626e+03 0.00e+00 - 0 1230 973 1228 0 >> 540 1.901 0.873 26.706 0 U -1.733e+03 0.00e+00 - 0 1481 1477 1480 0 >> 541 1.915 0.736 26.567 0 U -2.501e+03 0.00e+00 - 0 0 0 0 0 >> 542 0.715 3.481 25.825 0 U -1.130e+03 0.00e+00 - 0 1479 912 1478 0 >> 543 0.714 1.907 25.858 0 U -4.142e+03 0.00e+00 - 0 1479 1481 1478 0 >> 544 0.712 1.663 25.800 0 U -9.708e+02 0.00e+00 - 0 0 0 0 0 >> 545 0.713 1.284 25.799 0 U -3.811e+03 0.00e+00 - 0 0 0 0 0 >> 546 1.646 7.155 18.971 0 U -1.282e+03 0.00e+00 - 0 979 1777 1053 0 >> 547 1.646 0.949 18.944 0 U -1.552e+03 0.00e+00 - 0 979 1275 1053 0 >> 548 1.645 0.763 18.989 0 U -2.510e+03 0.00e+00 - 0 0 0 0 0 >> 549 1.644 0.343 19.036 0 U -1.556e+03 0.00e+00 - 0 979 1397 1053 0 >> 550 2.874 4.372 42.003 0 U -8.249e+02 0.00e+00 - 0 953 894 1066 0 >> 551 2.849 1.028 42.180 0 U -2.655e+03 0.00e+00 - 0 0 0 0 0 >> 552 0.952 3.943 25.685 0 U -3.712e+03 0.00e+00 - 0 0 0 0 0 >> 553 0.954 2.222 25.744 0 U -2.400e+03 0.00e+00 - 0 1370 1325 1483 0 >> 554 0.953 2.116 25.696 0 U -3.530e+03 0.00e+00 - 0 1370 1016 1483 0 >> 555 0.973 1.801 24.931 0 U -6.780e+03 0.00e+00 - 0 1856 1858 1854 0 >> 556 1.627 2.133 27.128 0 U -1.090e+03 0.00e+00 - 0 1485 1016 1371 0 >> 557 1.631 2.118 41.594 0 U -1.393e+03 0.00e+00 - 0 1007 1016 1046 0 >> 558 1.620 1.877 41.226 0 U -3.522e+03 0.00e+00 - 0 1852 1851 1291 0 >> 559 1.051 4.136 23.566 0 U -1.047e+03 0.00e+00 - 0 1484 1272 1482 0 >> 560 1.048 3.944 23.583 0 U -3.886e+03 0.00e+00 - 0 1484 922 1482 0 >> 561 1.047 3.833 23.590 0 U -2.127e+03 0.00e+00 - 0 1484 908 1482 0 >> 562 1.048 1.943 23.588 0 U -2.566e+03 0.00e+00 - 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0.00e+00 - 0 0 0 0 0 >> 622 1.287 7.686 22.389 0 U -9.525e+02 0.00e+00 - 0 1265 87 1266 0 >> 623 1.293 4.215 22.446 0 U -6.153e+03 0.00e+00 - 0 1265 1264 1266 0 >> 624 1.294 4.080 22.452 0 U -3.617e+03 0.00e+00 - 0 1265 1261 1266 0 >> 625 1.287 1.018 22.137 0 U -2.207e+03 0.00e+00 - 0 1265 1199 1266 0 >> 626 4.228 4.223 68.390 0 U 2.146e+04 0.00e+00 - 0 0 0 0 0 >> 627 1.044 7.839 21.958 0 U -1.292e+03 0.00e+00 - 0 1199 23 1197 0 >> 628 1.041 2.065 21.920 0 U -7.351e+03 0.00e+00 - 0 0 0 0 0 >> 629 3.934 7.694 65.355 0 U 8.482e+02 0.00e+00 - 0 877 87 777 0 >> 630 3.934 7.125 65.302 0 U 8.381e+02 0.00e+00 - 0 877 1675 777 0 >> 631 3.931 2.051 65.314 0 U 8.612e+02 0.00e+00 - 0 877 976 777 0 >> 632 0.978 7.834 20.796 0 U -1.211e+03 0.00e+00 - 0 1198 23 1196 0 >> 633 0.976 7.702 20.673 0 U -1.328e+03 0.00e+00 - 0 1198 87 1196 0 >> 634 0.977 4.189 20.760 0 U -9.227e+02 0.00e+00 - 0 1198 892 1196 0 >> 635 4.270 3.167 60.904 0 U 1.750e+03 0.00e+00 - 0 0 0 0 0 >> 636 3.951 7.957 59.297 0 U 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0 U -3.664e+03 0.00e+00 - 0 1340 1338 1339 0 >> 740 1.958 3.665 27.334 0 U -2.943e+03 0.00e+00 - 0 1406 1409 1405 0 >> 741 1.972 2.208 27.612 0 U -7.369e+03 0.00e+00 - 0 0 0 0 0 >> 742 2.203 7.817 27.680 0 U -1.249e+03 0.00e+00 - 0 1013 49 1078 0 >> 743 2.216 7.459 27.742 0 U -7.331e+02 0.00e+00 - 0 1013 63 1078 0 >> 744 2.214 3.978 27.665 0 U -1.493e+03 0.00e+00 - 0 1013 897 1078 0 >> 745 2.213 1.968 27.641 0 U -6.585e+03 0.00e+00 - 0 1013 989 1078 0 >> 746 2.363 3.984 34.006 0 U -1.006e+03 0.00e+00 - 0 1224 897 1222 0 >> 747 2.363 1.970 33.991 0 U -1.556e+03 0.00e+00 - 0 1224 989 1222 0 >> 748 -0.033 1.146 23.318 0 U -1.285e+03 0.00e+00 - 0 1391 1393 1392 0 >> 749 1.152 0.157 25.806 0 U -1.198e+03 0.00e+00 - 0 1393 1394 1467 0 >> 750 1.357 1.747 41.911 0 U -7.717e+02 0.00e+00 - 0 993 1033 1050 0 >> 751 0.166 3.182 26.076 0 U -8.370e+02 0.00e+00 - 0 0 0 0 0 >> 752 0.160 1.150 25.980 0 U -1.699e+03 0.00e+00 - 0 1394 1393 1395 0 >> 753 1.751 1.346 41.894 0 U -1.110e+03 0.00e+00 - 0 1033 993 1050 0 >> 754 0.929 4.274 23.010 0 U -6.410e+03 0.00e+00 - 0 1857 1290 1855 0 >> 755 0.931 3.917 22.698 0 U -1.640e+03 0.00e+00 - 0 0 0 0 0 >> 756 0.929 1.793 22.978 0 U -7.523e+03 0.00e+00 - 0 1857 1858 1855 0 >> 757 3.881 1.659 60.025 0 U 1.625e+03 0.00e+00 - 0 0 0 0 0 >> 758 1.842 8.451 31.966 0 U -7.065e+02 0.00e+00 - 0 1294 5 1296 0 >> 759 1.837 4.482 32.035 0 U -1.421e+03 0.00e+00 - 0 1294 1292 1296 0 >> 760 1.837 3.846 32.037 0 U -6.985e+02 0.00e+00 - 0 0 0 0 0 >> 761 1.640 3.885 25.963 0 U -7.476e+02 0.00e+00 - 0 1243 915 1242 0 >> 762 1.639 1.411 25.920 0 U -4.118e+03 0.00e+00 - 0 1243 1244 1242 0 >> 763 2.902 4.011 42.026 0 U -1.090e+03 0.00e+00 - 0 1249 897 1248 0 >> 764 2.903 1.836 42.019 0 U -1.119e+03 0.00e+00 - 0 1249 960 1248 0 >> 765 2.900 1.408 42.110 0 U -1.957e+03 0.00e+00 - 0 1249 1244 1248 0 >> 766 2.900 0.910 42.097 0 U -2.980e+03 0.00e+00 - 0 0 0 0 0 >> 767 1.636 3.881 29.258 0 U -8.942e+02 0.00e+00 - 0 1247 915 1245 0 >> 768 1.636 1.416 29.192 0 U 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8.492 25.776 0 U -8.480e+02 0.00e+00 - 0 1850 101 1229 0 >> 784 0.792 1.938 25.898 0 U -2.449e+03 0.00e+00 - 0 1850 973 1229 0 >> 785 0.800 1.672 25.796 0 U -2.183e+03 0.00e+00 - 0 0 0 0 0 >> 786 0.886 3.931 17.290 0 U -9.141e+02 0.00e+00 - 0 1502 881 1235 0 >> 787 0.886 3.683 17.204 0 U -3.185e+03 0.00e+00 - 0 1502 883 1235 0 >> 788 0.890 1.712 17.217 0 U -2.663e+03 0.00e+00 - 0 1502 1233 1235 0 >> 789 1.143 1.966 29.301 0 U -6.129e+02 0.00e+00 - 0 1234 948 1232 0 >> 790 1.715 3.697 29.338 0 U -8.641e+02 0.00e+00 - 0 1233 883 1232 0 >> 791 0.838 3.681 12.944 0 U -1.846e+03 0.00e+00 - 0 1186 883 1187 0 >> 792 0.838 1.955 12.957 0 U -4.334e+03 0.00e+00 - 0 1186 948 1187 0 >> 793 0.839 1.709 12.944 0 U -6.684e+03 0.00e+00 - 0 1186 1233 1187 0 >> 794 0.840 1.142 12.942 0 U -7.135e+03 0.00e+00 - 0 1186 1234 1187 0 >> 795 0.810 3.574 18.012 0 U -1.505e+03 0.00e+00 - 0 1188 942 1189 0 >> 796 0.815 2.647 17.982 0 U -8.079e+02 0.00e+00 - 0 1188 1859 1189 0 >> 797 0.816 2.243 18.011 0 U 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>> 856 1.809 3.124 31.205 0 U -9.241e+02 0.00e+00 - 0 1662 1657 1661 0 >> 857 1.807 1.684 31.319 0 U -2.913e+04 0.00e+00 - 0 1662 1663 1661 0 >> 858 1.804 1.558 31.307 0 U -6.595e+03 0.00e+00 - 0 1662 1660 1661 0 >> 859 2.110 4.299 16.515 0 U -1.909e+03 0.00e+00 - 0 1543 927 1544 0 >> 860 2.110 8.529 16.515 0 U -9.355e+02 0.00e+00 - 0 1543 107 1544 0 >> 861 2.110 7.282 16.515 0 U -1.308e+03 0.00e+00 - 0 1543 1942 1544 0 >> 862 4.227 4.089 68.392 0 U 2.682e+03 0.00e+00 - 0 1264 1261 1263 0 >> 863 4.089 4.227 66.384 0 U 1.310e+03 0.00e+00 - 0 1261 1264 1262 0 >> 864 0.973 4.276 24.931 0 U -1.367e+03 0.00e+00 - 0 1856 1290 1854 0 >> 865 3.849 4.241 65.617 0 U 1.100e+03 0.00e+00 - 0 901 971 807 0 >> 866 0.658 1.002 12.899 0 U -2.399e+03 0.00e+00 - 0 0 0 0 0 >> 867 0.684 0.342 13.830 0 U -1.259e+03 0.00e+00 - 0 1504 1397 1503 0 >> 868 0.682 4.289 13.832 0 U -7.020e+02 0.00e+00 - 0 1504 933 1503 0 >> 869 0.682 4.137 13.832 0 U -6.081e+02 0.00e+00 - 0 1504 875 1503 0 >> 870 0.887 8.657 17.800 0 U -5.725e+02 0.00e+00 - 0 1508 41 1507 0 >> 871 0.810 7.580 17.936 0 U -5.931e+02 0.00e+00 - 0 0 0 0 0 >> 872 0.810 8.893 17.936 0 U -5.102e+02 0.00e+00 - 0 1188 27 1189 0 >> 873 0.830 5.619 17.318 0 U -5.690e+02 0.00e+00 - 0 0 0 0 0 >> 874 0.830 8.777 17.318 0 U -6.473e+02 0.00e+00 - 0 1444 69 1445 0 >> 875 0.978 8.788 17.999 0 U -7.467e+02 0.00e+00 - 0 1513 69 1511 0 >> 876 3.840 0.899 54.807 0 U 7.715e+02 0.00e+00 - 0 0 0 0 0 >> 877 3.847 8.295 54.804 0 U 5.850e+02 0.00e+00 - 0 930 11 738 0 >> 878 4.271 0.717 54.601 0 U 9.975e+02 0.00e+00 - 0 936 1900 736 0 >> 879 1.553 2.155 17.562 0 U -6.383e+02 0.00e+00 - 0 1734 1755 1733 0 >> 880 0.807 0.346 23.070 0 U -2.042e+03 0.00e+00 - 0 1880 1397 1876 0 >> 881 0.807 1.642 23.070 0 U -1.476e+03 0.00e+00 - 0 0 0 0 0 >> 882 0.807 1.856 23.070 0 U -1.381e+03 0.00e+00 - 0 1880 1636 1876 0 >> 883 0.807 3.937 23.070 0 U -1.041e+03 0.00e+00 - 0 1880 918 1876 0 >> 884 0.900 2.530 25.541 0 U -1.287e+03 0.00e+00 - 0 0 0 0 0 >> 885 0.900 6.754 25.541 0 U -3.575e+02 0.00e+00 - 0 1463 1255 1461 0 >> 886 0.904 8.102 25.196 0 U -7.529e+02 0.00e+00 - 0 1463 93 1461 0 >> 887 0.904 6.759 25.196 0 U -5.351e+02 0.00e+00 - 0 0 0 0 0 >> 888 0.900 8.344 25.533 0 U -7.013e+02 0.00e+00 - 0 1487 95 1486 0 >> 889 0.890 3.907 26.152 0 U -6.522e+02 0.00e+00 - 0 1898 1885 1897 0 >> 890 0.888 8.925 26.088 0 U -6.543e+02 0.00e+00 - 0 0 0 0 0 >> 891 1.472 1.631 23.453 0 U -5.720e+03 0.00e+00 - 0 0 0 0 0 >> 892 0.949 8.100 25.678 0 U -8.742e+02 0.00e+00 - 0 1370 57 1483 0 >> 893 0.162 6.977 26.039 0 U -5.330e+02 0.00e+00 - 0 1394 1836 1395 0 >> 894 0.162 7.115 26.039 0 U -6.487e+02 0.00e+00 - 0 1394 1828 1395 0 >> 895 -0.032 7.111 23.329 0 U -5.965e+02 0.00e+00 - 0 1391 1828 1392 0 >> 896 -0.032 6.555 23.329 0 U -5.895e+02 0.00e+00 - 0 1391 1666 1392 0 >> 897 -0.023 7.418 23.268 0 U -5.633e+02 0.00e+00 - 0 1391 63 1392 0 >> 898 2.110 8.037 16.515 0 U -6.073e+02 0.00e+00 - 0 0 0 0 0 >> 899 0.814 0.344 17.958 0 U -6.714e+02 0.00e+00 - 0 1188 1397 1189 0 >> 900 -0.033 1.335 23.318 0 U -6.262e+02 0.00e+00 - 0 1391 993 1392 0 >> 901 0.706 6.778 23.254 0 U -6.403e+02 0.00e+00 - 0 1900 1832 1899 0 >> 902 0.829 0.151 17.138 0 U -7.266e+02 0.00e+00 - 0 1444 1394 1445 0 >> 903 0.826 1.187 17.222 0 U -1.267e+03 0.00e+00 - 0 0 0 0 0 >> 904 0.826 1.314 17.222 0 U -7.745e+02 0.00e+00 - 0 1444 993 1445 0 >> 905 0.826 1.768 17.222 0 U -6.798e+02 0.00e+00 - 0 1444 1033 1445 0 >> 906 0.869 8.425 23.872 0 U -7.233e+02 0.00e+00 - 0 1458 91 1457 0 >> 907 0.714 2.734 25.802 0 U -6.734e+02 0.00e+00 - 0 0 0 0 0 >> 908 0.953 8.350 26.586 0 U -6.932e+02 0.00e+00 - 0 1489 21 1488 0 >> 909 0.953 7.217 26.586 0 U -5.023e+02 0.00e+00 - 0 1489 1945 1488 0 >> 910 0.864 8.318 22.122 0 U -5.775e+02 0.00e+00 - 0 0 0 0 0 >> 912 0.810 7.101 24.556 0 U -4.909e+02 0.00e+00 - 0 1460 1253 1459 0 >> 913 0.810 7.758 24.556 0 U -5.534e+02 0.00e+00 - 0 1460 117 1459 0 >> 914 0.816 1.312 24.557 0 U -1.444e+03 0.00e+00 - 0 1460 964 1459 0 >> 915 0.907 2.883 25.196 0 U 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1030 803 0 >>1051 3.344 3.699 67.439 0 U 7.326e+02 0.00e+00 - 0 920 921 792 0 >>1052 3.213 7.787 43.111 0 U -6.363e+02 0.00e+00 - 0 1310 71 1309 0 >>1053 2.210 2.528 27.684 0 U -1.480e+03 0.00e+00 - 0 1013 1223 1078 0 >>1054 1.635 3.977 29.224 0 U -8.082e+02 0.00e+00 - 0 1247 897 1245 0 >>1055 1.522 3.959 29.661 0 U -7.394e+02 0.00e+00 - 0 1867 881 1864 0 >>1056 1.528 4.470 26.310 0 U -6.714e+02 0.00e+00 - 0 1471 944 1470 0 >>1057 1.001 7.952 20.777 0 U -7.753e+02 0.00e+00 - 0 1287 193 1285 0 >>1058 3.928 3.255 32.810 0 U -6.129e+02 0.00e+00 - 0 0 0 0 0 >>1059 4.245 4.758 68.479 0 U 8.781e+02 0.00e+00 - 0 971 1970 1074 0 >>1060 0.977 3.840 22.741 0 U -1.408e+03 0.00e+00 - 0 1450 930 1448 0 >>1061 2.427 1.918 31.785 0 U -2.178e+03 0.00e+00 - 0 0 0 0 0 >>1062 2.427 2.038 31.785 0 U -2.299e+03 0.00e+00 - 0 0 0 0 0 >>1063 2.502 2.040 31.785 0 U -2.353e+03 0.00e+00 - 0 0 0 0 0 >>1064 2.502 1.907 31.785 0 U -2.113e+03 0.00e+00 - 0 0 0 0 0 >>1065 3.414 4.352 50.275 0 U 5.651e+02 0.00e+00 - 0 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61.673 0 U 1.541e+03 0.00e+00 - 0 880 1996 802 0 >>1111 4.037 8.268 61.673 0 U 6.834e+02 0.00e+00 - 0 880 29 802 0 >>1112 3.962 4.416 63.806 0 U 3.116e+03 0.00e+00 - 0 0 0 0 0 >>1113 3.962 8.115 63.806 0 U 5.771e+02 0.00e+00 - 0 0 0 0 0 >>1114 3.962 8.173 63.806 0 U 5.176e+02 0.00e+00 - 0 0 0 0 0 >>1115 4.416 3.962 59.494 0 U 1.567e+03 0.00e+00 - 0 0 0 0 0 >>1116 4.021 3.657 68.606 0 U 6.582e+02 0.00e+00 - 0 1338 890 1076 0 >>1117 4.494 3.370 60.899 0 U 1.216e+03 0.00e+00 - 0 885 1284 740 0 >>1118 4.245 3.830 68.479 0 U 2.193e+03 0.00e+00 - 0 971 901 1074 0 >>1119 1.027 8.450 22.297 0 U -2.351e+02 0.00e+00 - 0 0 0 0 0 >>1120 1.030 8.436 22.020 0 U -6.791e+02 0.00e+00 - 0 0 0 0 0 >>1121 2.516 3.866 34.683 0 U -6.553e+02 0.00e+00 - 0 0 0 0 0 >>1122 3.679 0.816 66.215 0 U 1.150e+03 0.00e+00 - 0 890 1460 805 0 >>1123 4.022 0.834 68.557 0 U 5.691e+02 0.00e+00 - 0 1338 1460 1076 0 >>1125 1.102 1.481 27.879 0 U -9.880e+02 0.00e+00 - 0 0 0 0 0 >>1126 1.102 1.978 27.879 0 U -1.369e+03 0.00e+00 - 0 0 0 0 0 >>1127 1.102 2.140 27.879 0 U -2.359e+03 0.00e+00 - 0 0 0 0 0 >>1128 1.339 0.713 27.105 0 U -7.957e+02 0.00e+00 - 0 0 0 0 0 >>1129 2.152 2.495 28.728 0 U -1.086e+03 0.00e+00 - 0 0 0 0 0 >>1130 2.495 2.002 36.709 0 U -1.868e+03 0.00e+00 - 0 0 0 0 0 >>1131 2.001 1.692 28.964 0 U -1.820e+03 0.00e+00 - 0 0 0 0 0 >>1132 1.484 2.114 18.406 0 U -1.820e+03 0.00e+00 - 0 0 0 0 0 >>1133 4.015 2.645 59.394 0 U 8.946e+02 0.00e+00 - 0 0 0 0 0 >>1134 1.472 3.930 23.453 0 U -1.898e+03 0.00e+00 - 0 0 0 0 0 >>1135 2.233 0.929 29.015 0 U -6.423e+02 0.00e+00 - 0 0 0 0 0 >>1136 1.198 0.900 29.015 0 U -9.012e+02 0.00e+00 - 0 0 0 0 0 >>1137 1.198 3.525 29.015 0 U -5.205e+02 0.00e+00 - 0 0 0 0 0 >>1138 1.198 8.684 29.015 0 U -5.115e+02 0.00e+00 - 0 0 0 0 0 >>1139 3.868 7.191 54.036 0 U 5.921e+02 0.00e+00 - 0 981 167 1035 0 >>1140 1.916 4.711 32.044 0 U -6.754e+02 0.00e+00 - 0 0 0 0 0 >>1141 1.916 3.667 32.044 0 U -6.962e+02 0.00e+00 - 0 0 0 0 0 >>1142 2.037 4.708 32.044 0 U -4.980e+02 0.00e+00 - 0 0 0 0 0 >>1143 2.435 4.726 31.785 0 U -6.087e+02 0.00e+00 - 0 0 0 0 0 >>1144 1.916 2.439 32.044 0 U -1.357e+03 0.00e+00 - 0 0 0 0 0 >>1145 1.916 2.506 32.044 0 U -1.608e+03 0.00e+00 - 0 0 0 0 0 >>1146 1.767 2.973 29.669 0 U -1.499e+03 0.00e+00 - 0 0 0 0 0 >>1147 3.001 1.767 42.960 0 U -1.407e+03 0.00e+00 - 0 0 0 0 0 >>1148 1.910 1.288 26.995 0 U -6.985e+02 0.00e+00 - 0 0 0 0 0 >>1149 1.910 0.714 26.995 0 U -1.096e+03 0.00e+00 - 0 0 0 0 0 >>1150 1.910 0.864 26.995 0 U -9.397e+02 0.00e+00 - 0 0 0 0 0 >>1151 0.922 2.734 24.374 0 U -6.939e+02 0.00e+00 - 0 0 0 0 0 >>1152 1.687 8.501 27.124 0 U -6.222e+02 0.00e+00 - 0 0 0 0 0 >>1153 1.687 0.869 27.124 0 U -1.353e+03 0.00e+00 - 0 0 0 0 0 >>1154 1.687 0.782 27.124 0 U -4.341e+02 0.00e+00 - 0 0 0 0 0 >>1155 3.837 0.739 57.707 0 U 6.281e+02 0.00e+00 - 0 0 0 0 0 >>1156 1.627 1.048 27.128 0 U -1.243e+03 0.00e+00 - 0 0 0 0 0 >>1157 1.627 0.952 27.128 0 U -1.334e+03 0.00e+00 - 0 0 0 0 0 >>1158 2.475 4.271 39.954 0 U -5.101e+02 0.00e+00 - 0 0 0 0 0 >>1159 2.475 0.900 39.954 0 U -5.761e+02 0.00e+00 - 0 0 0 0 0 >>1160 4.271 2.475 57.153 0 U 8.781e+02 0.00e+00 - 0 0 0 0 0 >>1163 0.274 0.717 22.800 0 U -4.441e+02 0.00e+00 - 0 0 0 0 0 >>1164 1.549 8.445 41.009 0 U -4.322e+02 0.00e+00 - 0 0 0 0 0 >>1165 1.549 4.463 41.009 0 U -3.495e+02 0.00e+00 - 0 0 0 0 0 >>1166 3.125 0.951 25.865 0 U -5.101e+02 0.00e+00 - 0 0 0 0 0 >>1167 3.921 2.495 59.679 0 U 6.091e+02 0.00e+00 - 0 0 0 0 0 >>1168 3.562 0.890 50.313 0 U 6.402e+02 0.00e+00 - 0 0 0 0 0 >>1169 0.977 1.301 22.741 0 U -3.146e+03 0.00e+00 - 0 0 0 0 0 >>1170 4.222 1.767 59.186 0 U 9.662e+02 0.00e+00 - 0 0 0 0 0 >>1171 4.222 8.038 59.186 0 U 5.153e+02 0.00e+00 - 0 0 0 0 0 >>1172 1.931 3.549 29.342 0 U -6.734e+02 0.00e+00 - 0 0 0 0 0 >>1173 1.763 0.828 29.317 0 U -1.056e+03 0.00e+00 - 0 0 0 0 0 >>1174 1.592 4.222 25.619 0 U -6.208e+02 0.00e+00 - 0 0 0 0 0 >>1175 4.222 2.120 59.186 0 U 1.305e+03 0.00e+00 - 0 0 0 0 0 >>1176 3.100 4.608 30.929 0 U -1.552e+03 0.00e+00 - 0 0 0 0 0 >>1177 2.056 2.428 16.945 0 U -2.496e+03 0.00e+00 - 0 0 0 0 0 >>1178 2.056 2.502 16.945 0 U -1.867e+03 0.00e+00 - 0 0 0 0 0 >>1179 2.053 4.710 16.945 0 U -7.045e+02 0.00e+00 - 0 0 0 0 0 >>1180 1.989 0.684 38.102 0 U -5.704e+02 0.00e+00 - 0 0 0 0 0 >>1181 1.989 0.814 38.102 0 U -9.830e+02 0.00e+00 - 0 0 0 0 0 >>1182 1.989 0.908 38.102 0 U -1.031e+03 0.00e+00 - 0 0 0 0 0 >>1183 1.989 7.608 38.102 0 U -7.720e+02 0.00e+00 - 0 0 0 0 0 >>1184 2.150 1.357 37.945 0 U -6.030e+02 0.00e+00 - 0 0 0 0 0 >>1185 1.959 3.954 37.855 0 U -5.647e+02 0.00e+00 - 0 0 0 0 0 >> >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 all . 8251 . . . 19314 2 >> 2 H 1 all . 8251 . . . 19314 2 >> 3 C 13 cali . 8304 . . . 19314 2 >> >> stop_ >> >>save_ >> ; save_ save_caro.peaks _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H all 2 H all 3 C caro stop_ _Sample_label $HR9151A.011 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_caro.peaks >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode caro.peaks >> _Spectral_peak_list.Entry_ID 19314 >> _Spectral_peak_list.ID 3 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $HR9151A.011 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 7 >> _Spectral_peak_list.Experiment_name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 3 >>#INAME 1 H1 >>#INAME 2 H1 >>#INAME 3 C13 >> 1 6.554 6.684 133.599 0 U -2.241e+03 0.00e+00 - 0 1666 1668 1667 0 >> 2 6.550 4.319 133.890 0 U -6.724e+02 0.00e+00 - 0 1666 1436 1667 0 >> 3 7.319 4.484 131.784 0 U -1.205e+03 0.00e+00 - 0 1178 885 1179 0 >> 4 7.317 3.521 131.777 0 U -1.311e+03 0.00e+00 - 0 1178 949 1179 0 >> 5 7.317 3.354 131.755 0 U -1.556e+03 0.00e+00 - 0 1178 1284 1179 0 >> 6 7.323 1.954 131.673 0 U -7.145e+02 0.00e+00 - 0 0 0 0 0 >> 7 7.320 0.927 131.535 0 U -8.922e+02 0.00e+00 - 0 0 0 0 0 >> 8 6.724 4.185 132.804 0 U -9.554e+02 0.00e+00 - 0 0 0 0 0 >> 9 6.728 3.224 132.808 0 U -9.071e+02 0.00e+00 - 0 1671 1840 1672 0 >> 10 6.725 2.902 132.818 0 U -9.199e+02 0.00e+00 - 0 1671 1841 1672 0 >> 11 6.719 0.969 132.731 0 U -7.005e+02 0.00e+00 - 0 1671 1489 1672 0 >> 12 6.736 0.622 132.677 0 U -9.767e+02 0.00e+00 - 0 0 0 0 0 >> 13 6.702 4.110 118.024 0 U -1.069e+03 0.00e+00 - 0 0 0 0 0 >> 14 6.701 0.959 117.974 0 U -1.860e+03 0.00e+00 - 0 0 0 0 0 >> 15 6.702 0.626 117.778 0 U -9.571e+02 0.00e+00 - 0 0 0 0 0 >> 16 7.138 8.122 132.654 0 U -1.014e+03 0.00e+00 - 0 1675 51 1676 0 >> 17 7.131 6.780 132.423 0 U -1.757e+04 0.00e+00 - 0 0 0 0 0 >> 18 7.138 4.264 132.512 0 U -3.503e+03 0.00e+00 - 0 0 0 0 0 >> 19 7.138 3.926 132.705 0 U -1.941e+03 0.00e+00 - 0 0 0 0 0 >> 20 7.134 3.192 132.493 0 U -4.351e+03 0.00e+00 - 0 0 0 0 0 >> 21 7.138 2.049 132.643 0 U -1.123e+03 0.00e+00 - 0 0 0 0 0 >> 22 6.803 7.129 118.074 0 U -1.986e+04 0.00e+00 - 0 1773 1675 1774 0 >> 23 6.804 1.290 118.116 0 U -1.498e+03 0.00e+00 - 0 1773 1265 1774 0 >> 24 6.768 0.909 117.833 0 U -4.696e+03 0.00e+00 - 0 1255 1463 1256 0 >> 25 7.125 4.396 132.217 0 U -3.175e+03 0.00e+00 - 0 1253 925 1254 0 >> 26 7.124 4.022 132.355 0 U -1.233e+03 0.00e+00 - 0 1253 896 1254 0 >> 27 7.126 0.891 132.179 0 U -2.990e+03 0.00e+00 - 0 0 0 0 0 >> 28 6.769 7.115 117.855 0 U -1.749e+04 0.00e+00 - 0 1255 1253 1256 0 >> 29 6.768 1.585 117.849 0 U -2.050e+03 0.00e+00 - 0 1255 1464 1256 0 >> 30 6.698 7.198 117.049 0 U -8.641e+02 0.00e+00 - 0 1668 167 1677 0 >> 31 6.697 0.650 117.144 0 U -7.007e+02 0.00e+00 - 0 1668 981 1677 0 >> 32 7.151 0.635 129.626 0 U -8.380e+02 0.00e+00 - 0 0 0 0 0 >> 33 7.272 0.653 131.319 0 U -6.042e+02 0.00e+00 - 0 0 0 0 0 >> 34 7.272 0.969 131.319 0 U -8.306e+02 0.00e+00 - 0 0 0 0 0 >> 35 6.551 3.120 133.615 0 U -8.872e+02 0.00e+00 - 0 1666 987 1667 0 >> 36 6.559 0.926 133.461 0 U -7.784e+02 0.00e+00 - 0 1666 1355 1667 0 >> 37 7.138 8.314 132.643 0 U -7.778e+02 0.00e+00 - 0 1675 45 1676 0 >> 38 7.203 0.736 130.749 0 U -7.757e+02 0.00e+00 - 0 1945 1190 1944 0 >> 39 7.203 0.939 130.749 0 U -6.895e+02 0.00e+00 - 0 0 0 0 0 >> 40 6.741 0.918 130.352 0 U -9.951e+02 0.00e+00 - 0 0 0 0 0 >> 41 7.212 3.110 130.749 0 U -9.195e+02 0.00e+00 - 0 1945 1938 1944 0 >> 42 7.212 3.195 130.749 0 U -6.047e+02 0.00e+00 - 0 1945 1840 1944 0 >> 43 7.212 4.178 130.749 0 U -1.124e+03 0.00e+00 - 0 1945 1937 1944 0 >> 44 7.134 2.197 132.477 0 U -7.555e+02 0.00e+00 - 0 0 0 0 0 >> 45 7.134 2.553 132.477 0 U -6.262e+02 0.00e+00 - 0 0 0 0 0 >> 46 7.124 7.935 132.340 0 U -7.798e+02 0.00e+00 - 0 1253 137 1254 0 >> 47 7.133 1.181 132.180 0 U -1.126e+03 0.00e+00 - 0 0 0 0 0 >> 48 7.125 1.039 132.217 0 U -6.561e+02 0.00e+00 - 0 0 0 0 0 >> 49 7.129 3.340 132.192 0 U -1.407e+03 0.00e+00 - 0 1828 1738 1829 0 >> 50 7.138 0.723 132.045 0 U -7.326e+02 0.00e+00 - 0 0 0 0 0 >> 51 6.792 3.176 118.047 0 U -7.577e+02 0.00e+00 - 0 1773 950 1774 0 >> 52 6.792 4.247 118.047 0 U -6.523e+02 0.00e+00 - 0 0 0 0 0 >> 53 7.253 0.680 131.476 0 U -4.974e+02 0.00e+00 - 0 0 0 0 0 >> 54 7.240 3.322 131.476 0 U -5.384e+02 0.00e+00 - 0 1669 983 1670 0 >> 55 7.240 3.431 131.476 0 U -6.227e+02 0.00e+00 - 0 1669 1842 1670 0 >> 56 7.240 4.262 131.476 0 U -6.520e+02 0.00e+00 - 0 1669 971 1670 0 >> 57 6.745 6.955 130.445 0 U -1.866e+03 0.00e+00 - 0 1832 1836 1833 0 >> 58 6.745 7.136 130.445 0 U -2.731e+03 0.00e+00 - 0 1832 1828 1833 0 >> 59 6.768 0.818 117.833 0 U -2.663e+03 0.00e+00 - 0 1255 1460 1256 0 >> 60 6.717 1.240 132.514 0 U -6.016e+02 0.00e+00 - 0 1671 1270 1672 0 >> 61 7.125 3.072 132.217 0 U -2.150e+03 0.00e+00 - 0 1253 997 1254 0 >> 62 6.541 1.047 133.660 0 U -4.334e+02 0.00e+00 - 0 1666 1356 1667 0 >> 63 7.598 0.886 137.387 0 U 1.128e+03 0.00e+00 - 0 1868 1355 1869 0 >> 64 7.598 4.112 137.387 0 U 9.080e+02 0.00e+00 - 0 0 0 0 0 >> 65 7.143 2.089 129.460 0 U -6.302e+02 0.00e+00 - 0 1941 1543 1940 0 >> 66 7.138 1.287 132.709 0 U -5.016e+02 0.00e+00 - 0 0 0 0 0 >> 67 6.559 0.991 133.461 0 U -5.739e+02 0.00e+00 - 0 0 0 0 0 >> 68 7.124 0.980 132.340 0 U -7.934e+02 0.00e+00 - 0 0 0 0 0 >> >>; >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 all . 8251 . . . 19314 3 >> 2 H 1 all . 8251 . . . 19314 3 >> 3 C 13 caro . 8304 . . . 19314 3 >> >> stop_ >> >>save_ >> ; save_