data_19312 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure of Transcription Factor GATA-4 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR4783B ; _BMRB_accession_number 19312 _BMRB_flat_file_name bmr19312.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 Lee Dan . . 4 Kohn Eitan . . 5 Janjua Haleema . . 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" 331 "13C chemical shifts" 253 "15N chemical shifts" 62 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 a Transcription Factor GATA-4 from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR4783B' _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 Lee Dan . . 4 Kohn Eitan . . 5 Janjua Haleema . . 6 Xiao Rong . . 7 Acton Thomas . . 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 . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hr4784b _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label HR4783B $HR4783B 'ZINC ION' $entity_ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HR4783B _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HR4783B _Molecular_mass 7120.694 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 63 _Mol_residue_sequence ; SHMSASRRVGLSCANCQTTT TTLWRRNAEGEPVCNACGLY MKLHGVPRPLAMRKEGIQTR KRK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 HIS 3 3 MET 4 4 SER 5 5 ALA 6 6 SER 7 7 ARG 8 8 ARG 9 9 VAL 10 10 GLY 11 11 LEU 12 12 SER 13 13 CYS 14 14 ALA 15 15 ASN 16 16 CYS 17 17 GLN 18 18 THR 19 19 THR 20 20 THR 21 21 THR 22 22 THR 23 23 LEU 24 24 TRP 25 25 ARG 26 26 ARG 27 27 ASN 28 28 ALA 29 29 GLU 30 30 GLY 31 31 GLU 32 32 PRO 33 33 VAL 34 34 CYS 35 35 ASN 36 36 ALA 37 37 CYS 38 38 GLY 39 39 LEU 40 40 TYR 41 41 MET 42 42 LYS 43 43 LEU 44 44 HIS 45 45 GLY 46 46 VAL 47 47 PRO 48 48 ARG 49 49 PRO 50 50 LEU 51 51 ALA 52 52 MET 53 53 ARG 54 54 LYS 55 55 GLU 56 56 GLY 57 57 ILE 58 58 GLN 59 59 THR 60 60 ARG 61 61 LYS 62 62 ARG 63 63 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 2M9W "Solution Nmr Structure Of Transcription Factor Gata-4 From Homo Sapiens, Northeast Structural Genomics Consortium (nesg) Target" 100.00 63 100.00 100.00 1.17e-37 GB ABG02399 "GATA binding protein 4 [Bubalus bubalis]" 96.83 172 98.36 100.00 1.58e-35 GB ABM67327 "GATA4 [Hylobates klossii]" 66.67 42 100.00 100.00 2.02e-21 GB AGC95106 "GATA binding protein 4, partial [Ictidomys tridecemlineatus]" 57.14 146 100.00 100.00 3.18e-17 GB EHH28277 "GATA-binding factor 4 [Macaca mulatta]" 92.06 304 100.00 100.00 4.69e-33 GB EHH63983 "GATA-binding factor 4 [Macaca fascicularis]" 92.06 253 100.00 100.00 3.50e-33 REF XP_005337311 "PREDICTED: transcription factor GATA-4 [Ictidomys tridecemlineatus]" 95.24 213 100.00 100.00 8.91e-36 REF XP_012962956 "PREDICTED: transcription factor GATA-4, partial [Anas platyrhynchos]" 95.24 179 98.33 98.33 3.44e-35 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $HR4783B Human 9606 Eukaryota Metazoa Homo sapiens GATA4 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 $HR4783B 'recombinant technology' . . . BL21(DE3)pMgK pET15Nano6HT_NESG $entity_ZN 'obtained from a vendor' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_hr4783b.009 _Saveframe_category sample _Sample_type solution _Details '0.378 mM HR4783B, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR4783B 0.378 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 100 mM 'natural abundance' DTT 5 mM 'natural abundance' Tris-HCl 10 mM 'natural abundance' DSS 50 uM 'natural abundance' 'sodium azide' 0..02 % 'natural abundance' 'ZINC ION' 50 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_hr4783b.005 _Saveframe_category sample _Sample_type solution _Details '0.156 mM HR4783B, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HR4783B 0.156 mM '[U-5% 13C; U-100% 15N]' 'sodium chloride' 100 mM 'natural abundance' DTT 5 mM 'natural abundance' Tris-HCl 10 mM 'natural abundance' DSS 50 uM 'natural abundance' 'sodium azide' 0..02 % 'natural abundance' 'ZINC ION' 50 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '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 AutoStructure _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 2.3.1 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_PROSA _Saveframe_category software _Name PROSA _Version . loop_ _Vendor _Address _Electronic_address Guntert . . stop_ loop_ _Task 'data analysis' 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_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address '(CARA)-Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' 'peak picking' 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _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 $hr4783b.009 save_ save_2D_CT_1H-13C_HSQC_ali_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CT 1H-13C HSQC ali' _Sample_label $hr4783b.009 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $hr4783b.009 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $hr4783b.009 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $hr4783b.009 save_ save_2D_CT_1H-13C_HSQC_aro_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D CT 1H-13C HSQC aro' _Sample_label $hr4783b.009 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 $hr4783b.009 save_ save_3D_CCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $hr4783b.009 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $hr4783b.009 save_ save_2D_1H-15N_HSQC_His_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC_His' _Sample_label $hr4783b.009 save_ save_2D_1H-15N_HSQC_wide_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC_wide' _Sample_label $hr4783b.009 save_ save_3D_(H)CCH-COSY_ali_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-COSY ali' _Sample_label $hr4783b.009 save_ save_2D_1H-13C_HSQC_methyl_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC_methyl' _Sample_label $hr4783b.005 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 298 . 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 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_hr4783b.str _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D CT 1H-13C HSQC ali' '3D HNCO' '3D CBCA(CO)NH' '3D HNCACB' '2D CT 1H-13C HSQC aro' '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' '3D CCH-TOCSY' '3D HBHA(CO)NH' '2D 1H-15N HSQC_His' '2D 1H-15N HSQC_wide' '3D (H)CCH-COSY ali' '2D 1H-13C HSQC_methyl' stop_ loop_ _Sample_label $hr4783b.009 $hr4783b.005 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $DSS _Mol_system_component_name HR4783B _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 HIS HD2 H 7.002 0.02 1 2 2 2 HIS HE1 H 7.770 0.02 1 3 2 2 HIS CD2 C 119.600 0.4 1 4 2 2 HIS CE1 C 138.733 0.4 1 5 2 2 HIS ND1 N 228.600 0.4 1 6 2 2 HIS NE2 N 178.943 0.4 1 7 3 3 MET HA H 4.446 0.02 1 8 3 3 MET HB2 H 2.396 0.02 1 9 3 3 MET HB3 H 2.396 0.02 1 10 3 3 MET HG2 H 2.492 0.02 2 11 3 3 MET HG3 H 2.416 0.02 2 12 3 3 MET HE H 2.068 0.02 1 13 3 3 MET CA C 55.519 0.4 1 14 3 3 MET CB C 31.326 0.4 1 15 3 3 MET CG C 31.738 0.4 1 16 3 3 MET CE C 16.759 0.4 1 17 5 5 ALA HA H 4.331 0.02 1 18 5 5 ALA HB H 1.418 0.02 1 19 5 5 ALA CA C 52.790 0.4 1 20 5 5 ALA CB C 18.994 0.4 1 21 6 6 SER H H 8.188 0.02 1 22 6 6 SER HA H 4.396 0.02 1 23 6 6 SER HB2 H 3.860 0.02 1 24 6 6 SER HB3 H 3.860 0.02 1 25 6 6 SER C C 174.599 0.4 1 26 6 6 SER CA C 58.426 0.4 1 27 6 6 SER CB C 63.600 0.4 1 28 6 6 SER N N 114.306 0.4 1 29 7 7 ARG H H 8.174 0.02 1 30 7 7 ARG C C 173.973 0.4 1 31 7 7 ARG CA C 55.973 0.4 1 32 7 7 ARG CB C 30.636 0.4 1 33 7 7 ARG CD C 43.300 0.4 1 34 7 7 ARG N N 122.597 0.4 1 35 8 8 ARG H H 8.310 0.02 1 36 8 8 ARG HA H 4.345 0.02 1 37 8 8 ARG C C 176.078 0.4 1 38 8 8 ARG CA C 55.944 0.4 1 39 8 8 ARG CB C 30.600 0.4 1 40 8 8 ARG CD C 43.300 0.4 1 41 8 8 ARG N N 122.661 0.4 1 42 9 9 VAL H H 8.044 0.02 1 43 9 9 VAL HA H 4.143 0.02 1 44 9 9 VAL HB H 2.053 0.02 1 45 9 9 VAL HG1 H 0.912 0.02 1 46 9 9 VAL HG2 H 0.918 0.02 1 47 9 9 VAL C C 176.228 0.4 1 48 9 9 VAL CA C 61.926 0.4 1 49 9 9 VAL CB C 32.884 0.4 1 50 9 9 VAL CG1 C 20.979 0.4 1 51 9 9 VAL CG2 C 20.229 0.4 1 52 9 9 VAL N N 120.364 0.4 1 53 10 10 GLY H H 8.359 0.02 1 54 10 10 GLY HA2 H 3.888 0.02 1 55 10 10 GLY HA3 H 3.888 0.02 1 56 10 10 GLY C C 173.297 0.4 1 57 10 10 GLY CA C 44.861 0.4 1 58 10 10 GLY N N 112.431 0.4 1 59 11 11 LEU H H 7.791 0.02 1 60 11 11 LEU HA H 4.020 0.02 1 61 11 11 LEU HB2 H 0.284 0.02 2 62 11 11 LEU HB3 H 0.758 0.02 2 63 11 11 LEU HG H 0.933 0.02 1 64 11 11 LEU HD1 H 0.103 0.02 1 65 11 11 LEU HD2 H 0.267 0.02 1 66 11 11 LEU C C 175.329 0.4 1 67 11 11 LEU CA C 54.681 0.4 1 68 11 11 LEU CB C 41.985 0.4 1 69 11 11 LEU CG C 26.347 0.4 1 70 11 11 LEU CD1 C 23.775 0.4 1 71 11 11 LEU CD2 C 22.993 0.4 1 72 11 11 LEU N N 122.163 0.4 1 73 12 12 SER H H 7.370 0.02 1 74 12 12 SER HA H 5.008 0.02 1 75 12 12 SER HB2 H 3.454 0.02 2 76 12 12 SER HB3 H 3.533 0.02 2 77 12 12 SER C C 172.984 0.4 1 78 12 12 SER CA C 56.015 0.4 1 79 12 12 SER CB C 65.417 0.4 1 80 12 12 SER N N 113.571 0.4 1 81 13 13 CYS H H 8.847 0.02 1 82 13 13 CYS HA H 4.436 0.02 1 83 13 13 CYS HB2 H 3.017 0.02 1 84 13 13 CYS HB3 H 3.486 0.02 1 85 13 13 CYS C C 177.379 0.4 1 86 13 13 CYS CA C 59.612 0.4 1 87 13 13 CYS CB C 31.140 0.4 1 88 13 13 CYS N N 123.033 0.4 1 89 14 14 ALA H H 9.562 0.02 1 90 14 14 ALA HA H 4.166 0.02 1 91 14 14 ALA HB H 1.443 0.02 1 92 14 14 ALA C C 177.542 0.4 1 93 14 14 ALA CA C 55.009 0.4 1 94 14 14 ALA CB C 18.984 0.4 1 95 14 14 ALA N N 133.515 0.4 1 96 15 15 ASN H H 9.082 0.02 1 97 15 15 ASN HA H 4.982 0.02 1 98 15 15 ASN HB2 H 2.696 0.02 1 99 15 15 ASN HB3 H 3.517 0.02 1 100 15 15 ASN HD21 H 8.712 0.02 1 101 15 15 ASN HD22 H 7.603 0.02 1 102 15 15 ASN C C 174.972 0.4 1 103 15 15 ASN CA C 55.785 0.4 1 104 15 15 ASN CB C 40.025 0.4 1 105 15 15 ASN N N 116.510 0.4 1 106 15 15 ASN ND2 N 118.438 0.4 1 107 16 16 CYS H H 8.754 0.02 1 108 16 16 CYS HA H 4.915 0.02 1 109 16 16 CYS HB2 H 3.284 0.02 2 110 16 16 CYS HB3 H 2.434 0.02 2 111 16 16 CYS C C 176.148 0.4 1 112 16 16 CYS CA C 59.148 0.4 1 113 16 16 CYS CB C 33.675 0.4 1 114 16 16 CYS N N 118.086 0.4 1 115 17 17 GLN H H 8.154 0.02 1 116 17 17 GLN HA H 4.283 0.02 1 117 17 17 GLN HB2 H 2.369 0.02 2 118 17 17 GLN HB3 H 2.501 0.02 2 119 17 17 GLN HG2 H 2.268 0.02 1 120 17 17 GLN HG3 H 2.268 0.02 1 121 17 17 GLN HE21 H 7.240 0.02 2 122 17 17 GLN HE22 H 6.507 0.02 2 123 17 17 GLN C C 175.056 0.4 1 124 17 17 GLN CA C 58.268 0.4 1 125 17 17 GLN CB C 25.963 0.4 1 126 17 17 GLN CG C 34.462 0.4 1 127 17 17 GLN N N 115.957 0.4 1 128 17 17 GLN NE2 N 112.208 0.4 1 129 18 18 THR H H 8.570 0.02 1 130 18 18 THR HA H 4.572 0.02 1 131 18 18 THR HB H 4.609 0.02 1 132 18 18 THR HG2 H 1.183 0.02 1 133 18 18 THR C C 173.541 0.4 1 134 18 18 THR CA C 63.333 0.4 1 135 18 18 THR CB C 68.470 0.4 1 136 18 18 THR CG2 C 21.965 0.4 1 137 18 18 THR N N 116.736 0.4 1 138 19 19 THR H H 8.210 0.02 1 139 19 19 THR HA H 5.110 0.02 1 140 19 19 THR HB H 4.763 0.02 1 141 19 19 THR HG2 H 1.338 0.02 1 142 19 19 THR C C 175.052 0.4 1 143 19 19 THR CA C 61.201 0.4 1 144 19 19 THR CB C 69.800 0.4 1 145 19 19 THR CG2 C 21.482 0.4 1 146 19 19 THR N N 112.629 0.4 1 147 20 20 THR H H 8.289 0.02 1 148 20 20 THR HA H 4.806 0.02 1 149 20 20 THR HB H 4.006 0.02 1 150 20 20 THR HG2 H 1.152 0.02 1 151 20 20 THR C C 171.976 0.4 1 152 20 20 THR CA C 60.247 0.4 1 153 20 20 THR CB C 70.586 0.4 1 154 20 20 THR CG2 C 20.655 0.4 1 155 20 20 THR N N 117.956 0.4 1 156 21 21 THR H H 7.935 0.02 1 157 21 21 THR HA H 4.473 0.02 1 158 21 21 THR HB H 3.721 0.02 1 159 21 21 THR HG2 H -0.757 0.02 1 160 21 21 THR CA C 60.102 0.4 1 161 21 21 THR CB C 67.491 0.4 1 162 21 21 THR CG2 C 15.353 0.4 1 163 21 21 THR N N 117.356 0.4 1 164 22 22 THR HA H 4.146 0.02 1 165 22 22 THR HB H 4.188 0.02 1 166 22 22 THR HG2 H 1.227 0.02 1 167 22 22 THR C C 174.768 0.4 1 168 22 22 THR CA C 62.686 0.4 1 169 22 22 THR CB C 68.860 0.4 1 170 22 22 THR CG2 C 22.275 0.4 1 171 23 23 LEU H H 6.977 0.02 1 172 23 23 LEU HA H 4.335 0.02 1 173 23 23 LEU HB2 H 1.442 0.02 1 174 23 23 LEU HB3 H 1.442 0.02 1 175 23 23 LEU HG H 1.346 0.02 1 176 23 23 LEU HD1 H 0.922 0.02 1 177 23 23 LEU HD2 H 0.771 0.02 1 178 23 23 LEU C C 173.967 0.4 1 179 23 23 LEU CA C 55.281 0.4 1 180 23 23 LEU CB C 44.591 0.4 1 181 23 23 LEU CG C 26.974 0.4 1 182 23 23 LEU CD1 C 23.787 0.4 1 183 23 23 LEU CD2 C 25.200 0.4 1 184 23 23 LEU N N 123.337 0.4 1 185 24 24 TRP H H 8.410 0.02 1 186 24 24 TRP HA H 4.634 0.02 1 187 24 24 TRP HB2 H 3.024 0.02 1 188 24 24 TRP HB3 H 3.141 0.02 1 189 24 24 TRP HD1 H 7.179 0.02 1 190 24 24 TRP HE1 H 9.993 0.02 1 191 24 24 TRP HE3 H 7.295 0.02 1 192 24 24 TRP HZ2 H 7.053 0.02 1 193 24 24 TRP HZ3 H 6.317 0.02 1 194 24 24 TRP HH2 H 7.071 0.02 1 195 24 24 TRP C C 176.694 0.4 1 196 24 24 TRP CA C 57.089 0.4 1 197 24 24 TRP CB C 29.782 0.4 1 198 24 24 TRP CD1 C 126.693 0.4 1 199 24 24 TRP CE3 C 120.108 0.4 1 200 24 24 TRP CZ2 C 114.469 0.4 1 201 24 24 TRP CZ3 C 119.269 0.4 1 202 24 24 TRP CH2 C 123.425 0.4 1 203 24 24 TRP N N 124.656 0.4 1 204 24 24 TRP NE1 N 128.070 0.4 1 205 25 25 ARG H H 9.147 0.02 1 206 25 25 ARG HA H 4.659 0.02 1 207 25 25 ARG HB2 H 1.411 0.02 1 208 25 25 ARG HB3 H 2.032 0.02 1 209 25 25 ARG HG2 H 1.495 0.02 2 210 25 25 ARG HG3 H 1.638 0.02 2 211 25 25 ARG HD2 H 3.079 0.02 2 212 25 25 ARG HD3 H 3.258 0.02 2 213 25 25 ARG C C 175.388 0.4 1 214 25 25 ARG CA C 54.300 0.4 1 215 25 25 ARG CB C 32.756 0.4 1 216 25 25 ARG CG C 29.090 0.4 1 217 25 25 ARG CD C 43.676 0.4 1 218 25 25 ARG N N 124.317 0.4 1 219 26 26 ARG H H 8.329 0.02 1 220 26 26 ARG HA H 5.375 0.02 1 221 26 26 ARG HB2 H 1.622 0.02 2 222 26 26 ARG HB3 H 1.708 0.02 2 223 26 26 ARG HG2 H 1.485 0.02 2 224 26 26 ARG HG3 H 1.623 0.02 2 225 26 26 ARG HD2 H 3.014 0.02 1 226 26 26 ARG HD3 H 3.014 0.02 1 227 26 26 ARG C C 176.947 0.4 1 228 26 26 ARG CA C 54.256 0.4 1 229 26 26 ARG CB C 33.981 0.4 1 230 26 26 ARG CG C 26.586 0.4 1 231 26 26 ARG CD C 43.297 0.4 1 232 26 26 ARG N N 119.065 0.4 1 233 27 27 ASN H H 8.852 0.02 1 234 27 27 ASN HA H 4.854 0.02 1 235 27 27 ASN HB2 H 3.619 0.02 1 236 27 27 ASN HB3 H 2.868 0.02 1 237 27 27 ASN HD21 H 7.499 0.02 1 238 27 27 ASN HD22 H 7.769 0.02 1 239 27 27 ASN C C 177.469 0.4 1 240 27 27 ASN CA C 50.644 0.4 1 241 27 27 ASN CB C 38.667 0.4 1 242 27 27 ASN N N 121.087 0.4 1 243 27 27 ASN ND2 N 111.725 0.4 1 244 28 28 ALA H H 8.565 0.02 1 245 28 28 ALA HA H 4.100 0.02 1 246 28 28 ALA HB H 1.457 0.02 1 247 28 28 ALA C C 178.729 0.4 1 248 28 28 ALA CA C 54.930 0.4 1 249 28 28 ALA CB C 18.157 0.4 1 250 28 28 ALA N N 121.634 0.4 1 251 29 29 GLU H H 7.670 0.02 1 252 29 29 GLU HA H 4.322 0.02 1 253 29 29 GLU HB2 H 2.016 0.02 1 254 29 29 GLU HB3 H 2.236 0.02 1 255 29 29 GLU HG2 H 2.193 0.02 2 256 29 29 GLU HG3 H 2.341 0.02 2 257 29 29 GLU C C 176.463 0.4 1 258 29 29 GLU CA C 56.619 0.4 1 259 29 29 GLU CB C 29.211 0.4 1 260 29 29 GLU CG C 37.087 0.4 1 261 29 29 GLU N N 115.497 0.4 1 262 30 30 GLY H H 8.186 0.02 1 263 30 30 GLY HA2 H 4.271 0.02 2 264 30 30 GLY HA3 H 3.600 0.02 2 265 30 30 GLY C C 174.292 0.4 1 266 30 30 GLY CA C 45.254 0.4 1 267 30 30 GLY N N 107.426 0.4 1 268 31 31 GLU H H 8.250 0.02 1 269 31 31 GLU HA H 4.624 0.02 1 270 31 31 GLU HB2 H 1.896 0.02 1 271 31 31 GLU HB3 H 2.058 0.02 1 272 31 31 GLU HG2 H 2.112 0.02 2 273 31 31 GLU HG3 H 2.256 0.02 2 274 31 31 GLU C C 174.006 0.4 1 275 31 31 GLU CA C 53.489 0.4 1 276 31 31 GLU CB C 29.221 0.4 1 277 31 31 GLU CG C 36.004 0.4 1 278 31 31 GLU N N 122.429 0.4 1 279 32 32 PRO HA H 5.010 0.02 1 280 32 32 PRO HB2 H 1.788 0.02 2 281 32 32 PRO HB3 H 1.885 0.02 2 282 32 32 PRO HG2 H 1.774 0.02 2 283 32 32 PRO HG3 H 2.254 0.02 2 284 32 32 PRO HD2 H 3.799 0.02 1 285 32 32 PRO HD3 H 3.799 0.02 1 286 32 32 PRO C C 176.167 0.4 1 287 32 32 PRO CA C 62.722 0.4 1 288 32 32 PRO CB C 32.031 0.4 1 289 32 32 PRO CG C 27.571 0.4 1 290 32 32 PRO CD C 50.240 0.4 1 291 33 33 VAL H H 8.513 0.02 1 292 33 33 VAL HA H 5.741 0.02 1 293 33 33 VAL HB H 2.236 0.02 1 294 33 33 VAL HG1 H 1.157 0.02 1 295 33 33 VAL HG2 H 0.751 0.02 1 296 33 33 VAL C C 174.756 0.4 1 297 33 33 VAL CA C 58.759 0.4 1 298 33 33 VAL CB C 36.799 0.4 1 299 33 33 VAL CG1 C 23.113 0.4 1 300 33 33 VAL CG2 C 19.164 0.4 1 301 33 33 VAL N N 114.800 0.4 1 302 34 34 CYS H H 9.818 0.02 1 303 34 34 CYS HA H 4.225 0.02 1 304 34 34 CYS HB2 H 2.464 0.02 2 305 34 34 CYS HB3 H 2.990 0.02 2 306 34 34 CYS C C 174.890 0.4 1 307 34 34 CYS CA C 57.946 0.4 1 308 34 34 CYS CB C 31.054 0.4 1 309 34 34 CYS N N 121.864 0.4 1 310 35 35 ASN H H 7.848 0.02 1 311 35 35 ASN HA H 4.084 0.02 1 312 35 35 ASN HB2 H 2.710 0.02 2 313 35 35 ASN HB3 H 3.234 0.02 2 314 35 35 ASN HD21 H 7.531 0.02 2 315 35 35 ASN HD22 H 6.925 0.02 2 316 35 35 ASN C C 176.491 0.4 1 317 35 35 ASN CA C 57.609 0.4 1 318 35 35 ASN CB C 39.471 0.4 1 319 35 35 ASN N N 118.528 0.4 1 320 35 35 ASN ND2 N 114.250 0.4 1 321 36 36 ALA H H 8.173 0.02 1 322 36 36 ALA HA H 4.138 0.02 1 323 36 36 ALA HB H 1.514 0.02 1 324 36 36 ALA C C 181.983 0.4 1 325 36 36 ALA CA C 55.564 0.4 1 326 36 36 ALA CB C 18.382 0.4 1 327 36 36 ALA N N 119.132 0.4 1 328 37 37 CYS H H 9.277 0.02 1 329 37 37 CYS HA H 4.014 0.02 1 330 37 37 CYS HB2 H 3.146 0.02 1 331 37 37 CYS HB3 H 3.300 0.02 1 332 37 37 CYS C C 179.567 0.4 1 333 37 37 CYS CA C 65.467 0.4 1 334 37 37 CYS CB C 28.909 0.4 1 335 37 37 CYS N N 122.296 0.4 1 336 38 38 GLY H H 9.307 0.02 1 337 38 38 GLY HA2 H 3.920 0.02 2 338 38 38 GLY HA3 H 3.528 0.02 2 339 38 38 GLY C C 176.325 0.4 1 340 38 38 GLY CA C 47.455 0.4 1 341 38 38 GLY N N 109.645 0.4 1 342 39 39 LEU H H 8.744 0.02 1 343 39 39 LEU HA H 4.064 0.02 1 344 39 39 LEU HB2 H 1.773 0.02 1 345 39 39 LEU HB3 H 1.517 0.02 1 346 39 39 LEU HG H 1.662 0.02 1 347 39 39 LEU HD1 H 0.850 0.02 1 348 39 39 LEU HD2 H 0.838 0.02 1 349 39 39 LEU C C 178.462 0.4 1 350 39 39 LEU CA C 57.752 0.4 1 351 39 39 LEU CB C 41.782 0.4 1 352 39 39 LEU CG C 26.829 0.4 1 353 39 39 LEU CD1 C 24.821 0.4 1 354 39 39 LEU CD2 C 23.072 0.4 1 355 39 39 LEU N N 123.534 0.4 1 356 40 40 TYR H H 7.838 0.02 1 357 40 40 TYR HA H 4.079 0.02 1 358 40 40 TYR HB2 H 3.208 0.02 1 359 40 40 TYR HB3 H 3.208 0.02 1 360 40 40 TYR HD1 H 7.327 0.02 1 361 40 40 TYR HD2 H 7.327 0.02 1 362 40 40 TYR HE1 H 6.603 0.02 1 363 40 40 TYR HE2 H 6.603 0.02 1 364 40 40 TYR C C 178.192 0.4 1 365 40 40 TYR CA C 62.219 0.4 1 366 40 40 TYR CB C 39.741 0.4 1 367 40 40 TYR CD1 C 133.838 0.4 1 368 40 40 TYR CD2 C 133.838 0.4 1 369 40 40 TYR CE1 C 118.521 0.4 1 370 40 40 TYR CE2 C 118.521 0.4 1 371 40 40 TYR N N 119.827 0.4 1 372 41 41 MET H H 7.848 0.02 1 373 41 41 MET HA H 4.532 0.02 1 374 41 41 MET HB2 H 2.242 0.02 2 375 41 41 MET HB3 H 2.219 0.02 2 376 41 41 MET HG2 H 2.434 0.02 2 377 41 41 MET HG3 H 2.803 0.02 2 378 41 41 MET HE H 2.044 0.02 1 379 41 41 MET C C 179.203 0.4 1 380 41 41 MET CA C 57.683 0.4 1 381 41 41 MET CB C 31.780 0.4 1 382 41 41 MET CG C 32.230 0.4 1 383 41 41 MET CE C 17.383 0.4 1 384 41 41 MET N N 117.089 0.4 1 385 42 42 LYS H H 7.795 0.02 1 386 42 42 LYS HA H 4.021 0.02 1 387 42 42 LYS HB2 H 1.953 0.02 2 388 42 42 LYS HB3 H 1.932 0.02 2 389 42 42 LYS HG2 H 1.408 0.02 2 390 42 42 LYS HG3 H 1.503 0.02 2 391 42 42 LYS HD2 H 1.680 0.02 2 392 42 42 LYS HD3 H 1.628 0.02 2 393 42 42 LYS HE2 H 2.981 0.02 1 394 42 42 LYS HE3 H 2.981 0.02 1 395 42 42 LYS C C 177.902 0.4 1 396 42 42 LYS CA C 58.892 0.4 1 397 42 42 LYS CB C 32.333 0.4 1 398 42 42 LYS CG C 24.607 0.4 1 399 42 42 LYS CD C 29.022 0.4 1 400 42 42 LYS CE C 41.879 0.4 1 401 42 42 LYS N N 120.513 0.4 1 402 43 43 LEU H H 7.780 0.02 1 403 43 43 LEU HA H 4.030 0.02 1 404 43 43 LEU HB2 H 1.300 0.02 1 405 43 43 LEU HB3 H 0.901 0.02 1 406 43 43 LEU HG H 1.165 0.02 1 407 43 43 LEU HD1 H 0.725 0.02 1 408 43 43 LEU HD2 H 0.652 0.02 1 409 43 43 LEU C C 178.555 0.4 1 410 43 43 LEU CA C 56.779 0.4 1 411 43 43 LEU CB C 42.406 0.4 1 412 43 43 LEU CG C 26.544 0.4 1 413 43 43 LEU CD1 C 23.980 0.4 1 414 43 43 LEU CD2 C 23.391 0.4 1 415 43 43 LEU N N 117.559 0.4 1 416 44 44 HIS H H 8.367 0.02 1 417 44 44 HIS HA H 4.653 0.02 1 418 44 44 HIS HB2 H 2.694 0.02 1 419 44 44 HIS HB3 H 3.067 0.02 1 420 44 44 HIS HD2 H 5.524 0.02 1 421 44 44 HIS HE1 H 7.629 0.02 1 422 44 44 HIS C C 176.699 0.4 1 423 44 44 HIS CA C 56.739 0.4 1 424 44 44 HIS CB C 31.966 0.4 1 425 44 44 HIS CD2 C 120.819 0.4 1 426 44 44 HIS CE1 C 137.907 0.4 1 427 44 44 HIS N N 113.809 0.4 1 428 45 45 GLY H H 8.534 0.02 1 429 45 45 GLY HA2 H 3.930 0.02 2 430 45 45 GLY HA3 H 4.151 0.02 2 431 45 45 GLY C C 172.853 0.4 1 432 45 45 GLY CA C 46.083 0.4 1 433 45 45 GLY N N 108.589 0.4 1 434 46 46 VAL H H 7.365 0.02 1 435 46 46 VAL HA H 4.762 0.02 1 436 46 46 VAL HB H 2.323 0.02 1 437 46 46 VAL HG1 H 1.027 0.02 1 438 46 46 VAL HG2 H 0.911 0.02 1 439 46 46 VAL C C 171.867 0.4 1 440 46 46 VAL CA C 57.556 0.4 1 441 46 46 VAL CB C 33.456 0.4 1 442 46 46 VAL CG1 C 22.080 0.4 1 443 46 46 VAL CG2 C 18.604 0.4 1 444 46 46 VAL N N 112.990 0.4 1 445 47 47 PRO HA H 4.615 0.02 1 446 47 47 PRO HB2 H 2.187 0.02 2 447 47 47 PRO HB3 H 1.741 0.02 2 448 47 47 PRO HG2 H 1.922 0.02 2 449 47 47 PRO HG3 H 2.012 0.02 2 450 47 47 PRO HD2 H 3.639 0.02 1 451 47 47 PRO HD3 H 3.756 0.02 1 452 47 47 PRO C C 176.310 0.4 1 453 47 47 PRO CA C 61.715 0.4 1 454 47 47 PRO CB C 32.124 0.4 1 455 47 47 PRO CG C 27.596 0.4 1 456 47 47 PRO CD C 50.352 0.4 1 457 48 48 ARG H H 8.759 0.02 1 458 48 48 ARG HA H 3.134 0.02 1 459 48 48 ARG HB2 H 1.147 0.02 1 460 48 48 ARG HB3 H 1.687 0.02 1 461 48 48 ARG HG2 H 0.788 0.02 2 462 48 48 ARG HG3 H 1.247 0.02 2 463 48 48 ARG HD2 H 2.881 0.02 2 464 48 48 ARG HD3 H 3.262 0.02 2 465 48 48 ARG C C 174.677 0.4 1 466 48 48 ARG CA C 54.500 0.4 1 467 48 48 ARG CB C 32.836 0.4 1 468 48 48 ARG CG C 27.210 0.4 1 469 48 48 ARG CD C 43.910 0.4 1 470 48 48 ARG N N 123.227 0.4 1 471 49 49 PRO HA H 4.311 0.02 1 472 49 49 PRO HB2 H 2.187 0.02 2 473 49 49 PRO HB3 H 1.776 0.02 2 474 49 49 PRO HG2 H 1.884 0.02 1 475 49 49 PRO HG3 H 1.884 0.02 1 476 49 49 PRO HD2 H 2.905 0.02 2 477 49 49 PRO HD3 H 3.643 0.02 2 478 49 49 PRO C C 176.503 0.4 1 479 49 49 PRO CA C 62.433 0.4 1 480 49 49 PRO CB C 32.063 0.4 1 481 49 49 PRO CG C 27.150 0.4 1 482 49 49 PRO CD C 51.761 0.4 1 483 50 50 LEU H H 8.282 0.02 1 484 50 50 LEU HA H 4.279 0.02 1 485 50 50 LEU HB2 H 1.592 0.02 1 486 50 50 LEU HB3 H 1.512 0.02 1 487 50 50 LEU HG H 1.675 0.02 1 488 50 50 LEU HD1 H 0.870 0.02 1 489 50 50 LEU HD2 H 0.724 0.02 1 490 50 50 LEU C C 177.387 0.4 1 491 50 50 LEU CA C 54.535 0.4 1 492 50 50 LEU CB C 42.345 0.4 1 493 50 50 LEU CG C 26.725 0.4 1 494 50 50 LEU CD1 C 25.195 0.4 1 495 50 50 LEU CD2 C 23.014 0.4 1 496 50 50 LEU N N 122.599 0.4 1 497 51 51 ALA H H 8.202 0.02 1 498 51 51 ALA HA H 4.246 0.02 1 499 51 51 ALA HB H 1.345 0.02 1 500 51 51 ALA C C 177.611 0.4 1 501 51 51 ALA CA C 52.471 0.4 1 502 51 51 ALA CB C 18.978 0.4 1 503 51 51 ALA N N 123.340 0.4 1 504 52 52 MET H H 8.161 0.02 1 505 52 52 MET HA H 4.414 0.02 1 506 52 52 MET HB2 H 1.954 0.02 2 507 52 52 MET HB3 H 2.048 0.02 2 508 52 52 MET HE H 2.094 0.02 1 509 52 52 MET C C 175.998 0.4 1 510 52 52 MET CA C 55.392 0.4 1 511 52 52 MET CB C 32.700 0.4 1 512 52 52 MET CE C 17.079 0.4 1 513 52 52 MET N N 118.463 0.4 1 514 53 53 ARG H H 8.234 0.02 1 515 53 53 ARG HA H 4.331 0.02 1 516 53 53 ARG HB2 H 1.764 0.02 1 517 53 53 ARG HB3 H 1.764 0.02 1 518 53 53 ARG C C 176.025 0.4 1 519 53 53 ARG CA C 56.000 0.4 1 520 53 53 ARG CB C 30.547 0.4 1 521 53 53 ARG N N 122.298 0.4 1 522 54 54 LYS H H 8.377 0.02 1 523 54 54 LYS HA H 4.294 0.02 1 524 54 54 LYS HB2 H 1.750 0.02 2 525 54 54 LYS HB3 H 1.823 0.02 2 526 54 54 LYS HG2 H 1.418 0.02 2 527 54 54 LYS HG3 H 1.448 0.02 2 528 54 54 LYS HD2 H 1.680 0.02 1 529 54 54 LYS HD3 H 1.680 0.02 1 530 54 54 LYS HE2 H 2.997 0.02 1 531 54 54 LYS HE3 H 2.997 0.02 1 532 54 54 LYS C C 176.467 0.4 1 533 54 54 LYS CA C 56.354 0.4 1 534 54 54 LYS CB C 32.904 0.4 1 535 54 54 LYS CG C 24.580 0.4 1 536 54 54 LYS CD C 29.082 0.4 1 537 54 54 LYS CE C 42.025 0.4 1 538 54 54 LYS N N 123.180 0.4 1 539 55 55 GLU H H 8.509 0.02 1 540 55 55 GLU HA H 4.302 0.02 1 541 55 55 GLU HB2 H 1.947 0.02 2 542 55 55 GLU HB3 H 2.056 0.02 2 543 55 55 GLU HG2 H 2.273 0.02 1 544 55 55 GLU HG3 H 2.273 0.02 1 545 55 55 GLU C C 176.868 0.4 1 546 55 55 GLU CA C 56.580 0.4 1 547 55 55 GLU CB C 30.242 0.4 1 548 55 55 GLU CG C 36.099 0.4 1 549 55 55 GLU N N 121.942 0.4 1 550 56 56 GLY H H 8.409 0.02 1 551 56 56 GLY HA2 H 3.971 0.02 1 552 56 56 GLY HA3 H 3.971 0.02 1 553 56 56 GLY C C 174.144 0.4 1 554 56 56 GLY CA C 45.117 0.4 1 555 56 56 GLY N N 109.694 0.4 1 556 57 57 ILE H H 8.025 0.02 1 557 57 57 ILE HA H 4.151 0.02 1 558 57 57 ILE HB H 1.863 0.02 1 559 57 57 ILE HG12 H 1.184 0.02 2 560 57 57 ILE HG13 H 1.454 0.02 2 561 57 57 ILE HG2 H 0.900 0.02 1 562 57 57 ILE HD1 H 0.860 0.02 1 563 57 57 ILE C C 176.529 0.4 1 564 57 57 ILE CA C 61.303 0.4 1 565 57 57 ILE CB C 38.606 0.4 1 566 57 57 ILE CG1 C 27.256 0.4 1 567 57 57 ILE CG2 C 17.415 0.4 1 568 57 57 ILE CD1 C 12.873 0.4 1 569 57 57 ILE N N 119.901 0.4 1 570 58 58 GLN H H 8.550 0.02 1 571 58 58 GLN HA H 4.411 0.02 1 572 58 58 GLN HB2 H 2.006 0.02 2 573 58 58 GLN HB3 H 2.122 0.02 2 574 58 58 GLN HG2 H 2.382 0.02 1 575 58 58 GLN HG3 H 2.382 0.02 1 576 58 58 GLN HE21 H 6.870 0.02 2 577 58 58 GLN HE22 H 7.517 0.02 2 578 58 58 GLN C C 176.143 0.4 1 579 58 58 GLN CA C 55.731 0.4 1 580 58 58 GLN CB C 29.258 0.4 1 581 58 58 GLN CG C 33.696 0.4 1 582 58 58 GLN N N 124.003 0.4 1 583 58 58 GLN NE2 N 112.406 0.4 1 584 59 59 THR H H 8.171 0.02 1 585 59 59 THR HA H 4.296 0.02 1 586 59 59 THR HB H 4.197 0.02 1 587 59 59 THR HG2 H 1.196 0.02 1 588 59 59 THR C C 174.411 0.4 1 589 59 59 THR CA C 61.953 0.4 1 590 59 59 THR CB C 69.586 0.4 1 591 59 59 THR CG2 C 21.626 0.4 1 592 59 59 THR N N 115.836 0.4 1 593 60 60 ARG H H 8.301 0.02 1 594 60 60 ARG HA H 4.350 0.02 1 595 60 60 ARG HB2 H 1.762 0.02 2 596 60 60 ARG HB3 H 1.859 0.02 2 597 60 60 ARG HG2 H 1.644 0.02 2 598 60 60 ARG HG3 H 1.585 0.02 2 599 60 60 ARG HD2 H 3.192 0.02 1 600 60 60 ARG HD3 H 3.192 0.02 1 601 60 60 ARG C C 176.071 0.4 1 602 60 60 ARG CA C 55.927 0.4 1 603 60 60 ARG CB C 30.731 0.4 1 604 60 60 ARG CG C 26.988 0.4 1 605 60 60 ARG CD C 43.274 0.4 1 606 60 60 ARG N N 123.534 0.4 1 607 61 61 LYS H H 8.146 0.02 1 608 61 61 LYS HA H 4.298 0.02 1 609 61 61 LYS HB2 H 1.750 0.02 2 610 61 61 LYS HB3 H 1.823 0.02 2 611 61 61 LYS C C 176.325 0.4 1 612 61 61 LYS CA C 56.296 0.4 1 613 61 61 LYS CB C 32.917 0.4 1 614 61 61 LYS CE C 42.100 0.4 1 615 61 61 LYS N N 121.266 0.4 1 616 62 62 ARG H H 8.391 0.02 1 617 62 62 ARG HA H 4.328 0.02 1 618 62 62 ARG HB2 H 1.761 0.02 2 619 62 62 ARG HB3 H 1.879 0.02 2 620 62 62 ARG HG2 H 1.584 0.02 2 621 62 62 ARG HG3 H 1.643 0.02 2 622 62 62 ARG HD2 H 3.190 0.02 1 623 62 62 ARG HD3 H 3.190 0.02 1 624 62 62 ARG C C 175.275 0.4 1 625 62 62 ARG CA C 56.082 0.4 1 626 62 62 ARG CB C 30.929 0.4 1 627 62 62 ARG CG C 26.977 0.4 1 628 62 62 ARG CD C 43.284 0.4 1 629 62 62 ARG N N 123.156 0.4 1 630 63 63 LYS H H 7.980 0.02 1 631 63 63 LYS HA H 4.119 0.02 1 632 63 63 LYS HB2 H 1.712 0.02 2 633 63 63 LYS HB3 H 1.794 0.02 2 634 63 63 LYS HG2 H 1.402 0.02 1 635 63 63 LYS HG3 H 1.402 0.02 1 636 63 63 LYS HD2 H 1.682 0.02 1 637 63 63 LYS HD3 H 1.682 0.02 1 638 63 63 LYS HE2 H 2.996 0.02 1 639 63 63 LYS HE3 H 2.996 0.02 1 640 63 63 LYS C C 181.193 0.4 1 641 63 63 LYS CA C 57.713 0.4 1 642 63 63 LYS CB C 33.490 0.4 1 643 63 63 LYS CG C 24.635 0.4 1 644 63 63 LYS CD C 29.026 0.4 1 645 63 63 LYS CE C 42.005 0.4 1 646 63 63 LYS N N 127.741 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 $hr4783b.009 _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 19312 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $hr4783b.009 >> _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 >>#CYANAFORMAT HhN >> 1 8.250 8.242 122.407 0 U 9.152e+04 0.00e+00 - 0 0 0 0 0 >> 2 8.282 4.297 122.593 0 U 1.169e+04 0.00e+00 - 0 0 0 0 0 >> 3 8.282 1.601 122.607 0 U 4.607e+03 0.00e+00 - 0 614 619 613 0 >> 4 7.795 4.024 120.563 0 U 4.654e+03 0.00e+00 - 0 499 501 498 0 >> 5 7.791 3.888 122.200 0 U 4.257e+03 0.00e+00 - 0 128 125 127 0 >> 6 7.790 0.923 122.166 0 U 1.674e+03 0.00e+00 - 0 128 847 127 0 >> 7 7.791 0.740 122.188 0 U 2.037e+03 0.00e+00 - 0 128 133 127 0 >> 8 7.792 0.263 122.135 0 U 1.283e+03 0.00e+00 - 0 0 0 0 0 >> 9 7.373 4.999 113.544 0 U 1.056e+03 0.00e+00 - 0 142 144 141 0 >> 10 7.365 4.525 112.977 0 U 2.398e+03 0.00e+00 - 0 554 488 553 0 >> 11 7.368 4.012 113.580 0 U 7.753e+03 0.00e+00 - 0 142 130 141 0 >> 12 7.367 0.903 112.991 0 U 5.902e+03 0.00e+00 - 0 554 1006 553 0 >> 13 7.370 0.268 113.571 0 U 1.483e+03 0.00e+00 - 0 0 0 0 0 >> 14 8.847 7.064 123.016 0 U 1.946e+03 0.00e+00 - 0 151 993 150 0 >> 15 8.851 6.317 123.002 0 U 8.020e+02 0.00e+00 - 0 151 997 150 0 >> 16 8.847 5.000 123.033 0 U 7.555e+03 0.00e+00 - 0 151 144 150 0 >> 17 8.845 4.426 122.981 0 U 1.804e+03 0.00e+00 - 0 151 153 150 0 >> 18 8.845 4.277 123.043 0 U 1.166e+03 0.00e+00 - 0 151 190 150 0 >> 19 8.846 3.472 123.034 0 U 6.179e+03 0.00e+00 - 0 0 0 0 0 >> 20 8.847 3.015 123.039 0 U 3.450e+03 0.00e+00 - 0 151 155 150 0 >> 21 8.846 1.179 123.127 0 U 1.671e+03 0.00e+00 - 0 151 851 150 0 >> 22 9.560 9.074 133.407 0 U 1.479e+03 0.00e+00 - 0 160 167 159 0 >> 23 9.559 5.732 133.570 0 U 2.114e+03 0.00e+00 - 0 160 401 159 0 >> 24 9.563 4.429 133.509 0 U 6.452e+03 0.00e+00 - 0 160 153 159 0 >> 25 9.561 4.156 133.458 0 U 1.644e+03 0.00e+00 - 0 160 162 159 0 >> 26 9.562 1.434 133.515 0 U 5.231e+03 0.00e+00 - 0 160 164 159 0 >> 27 9.561 1.152 133.593 0 U 1.995e+03 0.00e+00 - 0 160 894 159 0 >> 28 8.712 7.595 118.511 0 U 1.559e+04 0.00e+00 - 0 981 970 982 0 >> 29 8.712 3.508 118.419 0 U 3.191e+03 0.00e+00 - 0 981 172 982 0 >> 30 8.712 2.689 118.429 0 U 1.049e+03 0.00e+00 - 0 981 171 982 0 >> 31 8.714 1.688 118.434 0 U 1.569e+03 0.00e+00 - 0 0 0 0 0 >> 32 9.081 9.553 116.511 0 U 2.849e+03 0.00e+00 - 0 167 160 166 0 >> 33 9.081 8.746 116.504 0 U 5.713e+03 0.00e+00 - 0 167 179 166 0 >> 34 9.080 4.971 116.496 0 U 3.625e+03 0.00e+00 - 0 167 169 166 0 >> 35 9.086 4.161 116.409 0 U 1.169e+03 0.00e+00 - 0 167 162 166 0 >> 36 9.083 3.508 116.529 0 U 4.017e+03 0.00e+00 - 0 0 0 0 0 >> 37 9.082 2.689 116.498 0 U 3.287e+03 0.00e+00 - 0 167 171 166 0 >> 38 9.082 1.437 116.496 0 U 2.466e+03 0.00e+00 - 0 167 164 166 0 >> 39 9.082 1.150 116.510 0 U 2.728e+03 0.00e+00 - 0 167 894 166 0 >> 40 7.603 8.707 118.514 0 U 2.147e+04 0.00e+00 - 0 970 981 982 0 >> 41 7.604 3.510 118.470 0 U 1.847e+03 0.00e+00 - 0 970 172 982 0 >> 42 7.603 1.680 118.481 0 U 2.969e+03 0.00e+00 - 0 0 0 0 0 >> 43 7.606 0.715 118.240 0 U 8.271e+02 0.00e+00 - 0 970 940 982 0 >> 44 8.753 9.075 118.108 0 U 5.319e+03 0.00e+00 - 0 179 167 178 0 >> 45 8.754 8.147 118.105 0 U 5.464e+03 0.00e+00 - 0 179 188 178 0 >> 46 8.755 4.915 118.105 0 U 2.318e+03 0.00e+00 - 0 179 181 178 0 >> 47 8.753 4.285 118.022 0 U 8.602e+02 0.00e+00 - 0 179 190 178 0 >> 48 8.753 3.500 118.096 0 U 4.840e+03 0.00e+00 - 0 0 0 0 0 >> 49 8.750 3.287 118.111 0 U 1.517e+03 0.00e+00 - 0 179 183 178 0 >> 50 8.748 2.696 118.064 0 U 1.248e+03 0.00e+00 - 0 179 171 178 0 >> 51 8.754 2.429 118.066 0 U 2.017e+03 0.00e+00 - 0 179 184 178 0 >> 52 7.240 6.501 112.219 0 U 3.998e+04 0.00e+00 - 0 977 979 978 0 >> 53 7.240 2.255 112.169 0 U 1.946e+03 0.00e+00 - 0 977 849 978 0 >> 54 8.152 9.075 115.980 0 U 1.057e+03 0.00e+00 - 0 188 167 187 0 >> 55 8.153 8.748 115.967 0 U 6.380e+03 0.00e+00 - 0 188 179 187 0 >> 56 8.155 8.567 115.968 0 U 2.279e+03 0.00e+00 - 0 0 0 0 0 >> 57 8.152 4.913 115.936 0 U 1.396e+03 0.00e+00 - 0 188 181 187 0 >> 58 8.153 4.276 115.971 0 U 1.306e+04 0.00e+00 - 0 0 0 0 0 >> 59 8.153 3.478 115.928 0 U 4.443e+03 0.00e+00 - 0 188 156 187 0 >> 60 8.158 3.013 116.011 0 U 1.354e+03 0.00e+00 - 0 188 155 187 0 >> 61 8.154 2.371 115.949 0 U 1.757e+03 0.00e+00 - 0 0 0 0 0 >> 62 8.154 2.259 115.940 0 U 2.731e+03 0.00e+00 - 0 188 849 187 0 >> 63 6.508 7.233 112.220 0 U 4.204e+04 0.00e+00 - 0 979 977 978 0 >> 64 8.571 8.150 116.752 0 U 1.923e+03 0.00e+00 - 0 203 188 202 0 >> 65 8.570 4.591 116.736 0 U 5.785e+03 0.00e+00 - 0 0 0 0 0 >> 66 8.573 4.270 116.782 0 U 1.067e+03 0.00e+00 - 0 203 190 202 0 >> 67 8.572 3.476 116.724 0 U 3.579e+03 0.00e+00 - 0 203 156 202 0 >> 68 8.573 3.016 116.661 0 U 1.977e+03 0.00e+00 - 0 203 155 202 0 >> 69 8.571 1.174 116.716 0 U 4.665e+03 0.00e+00 - 0 203 851 202 0 >> 70 8.208 5.099 112.642 0 U 1.209e+03 0.00e+00 - 0 213 215 212 0 >> 71 8.210 4.570 112.611 0 U 5.857e+03 0.00e+00 - 0 0 0 0 0 >> 72 8.210 1.337 112.609 0 U 2.205e+03 0.00e+00 - 0 213 852 212 0 >> 73 8.212 1.173 112.674 0 U 1.063e+03 0.00e+00 - 0 213 851 212 0 >> 74 8.286 5.095 117.926 0 U 1.240e+03 0.00e+00 - 0 223 215 222 0 >> 75 8.289 4.580 117.948 0 U 1.087e+03 0.00e+00 - 0 223 205 222 0 >> 76 8.290 4.000 117.961 0 U 1.878e+03 0.00e+00 - 0 223 227 222 0 >> 77 8.286 1.164 117.972 0 U 4.142e+03 0.00e+00 - 0 0 0 0 0 >> 78 7.936 1.149 117.380 0 U 8.321e+02 0.00e+00 - 0 0 0 0 0 >> 79 7.932 -0.781 117.195 0 U 6.995e+02 0.00e+00 - 0 233 859 232 0 >> 80 8.409 7.175 124.576 0 U 1.575e+03 0.00e+00 - 0 267 987 266 0 >> 81 8.413 4.638 124.642 0 U 1.895e+03 0.00e+00 - 0 267 269 266 0 >> 82 8.409 4.327 124.631 0 U 9.947e+03 0.00e+00 - 0 267 255 266 0 >> 83 8.409 3.014 124.672 0 U 4.627e+03 0.00e+00 - 0 267 271 266 0 >> 84 8.411 1.437 124.654 0 U 1.270e+03 0.00e+00 - 0 267 257 266 0 >> 85 8.408 1.333 124.704 0 U 1.499e+03 0.00e+00 - 0 267 867 266 0 >> 86 8.410 0.919 124.595 0 U 2.176e+03 0.00e+00 - 0 267 865 266 0 >> 87 9.993 7.171 128.059 0 U 8.012e+03 0.00e+00 - 0 989 987 990 0 >> 88 9.994 7.047 128.052 0 U 3.927e+03 0.00e+00 - 0 989 991 990 0 >> 89 9.997 -0.760 128.119 0 U 9.080e+02 0.00e+00 - 0 989 859 990 0 >> 90 9.144 4.635 124.298 0 U 3.585e+03 0.00e+00 - 0 0 0 0 0 >> 91 9.147 1.432 124.317 0 U 8.653e+02 0.00e+00 - 0 291 296 290 0 >> 92 8.325 5.373 119.077 0 U 1.666e+03 0.00e+00 - 0 314 316 313 0 >> 93 8.331 2.026 119.099 0 U 4.426e+03 0.00e+00 - 0 314 295 313 0 >> 94 8.330 1.685 119.069 0 U 2.949e+03 0.00e+00 - 0 0 0 0 0 >> 95 8.331 1.413 119.014 0 U 1.986e+03 0.00e+00 - 0 314 296 313 0 >> 96 8.329 0.743 119.096 0 U 7.939e+02 0.00e+00 - 0 314 893 313 0 >> 97 7.768 7.490 111.770 0 U 2.410e+04 0.00e+00 - 0 1049 971 972 0 >> 98 7.770 3.607 111.679 0 U 1.040e+03 0.00e+00 - 0 1049 341 972 0 >> 99 7.771 2.868 111.740 0 U 1.382e+03 0.00e+00 - 0 1049 342 972 0 >> 100 7.767 2.249 111.688 0 U 1.266e+03 0.00e+00 - 0 1049 884 972 0 >> 101 7.766 2.042 111.753 0 U 2.276e+03 0.00e+00 - 0 0 0 0 0 >> 102 7.769 1.893 111.685 0 U 3.982e+03 0.00e+00 - 0 1049 881 972 0 >> 103 7.769 1.434 111.758 0 U 1.726e+03 0.00e+00 - 0 0 0 0 0 >> 104 8.852 8.236 121.098 0 U 1.734e+03 0.00e+00 - 0 337 374 336 0 >> 105 8.853 5.370 121.098 0 U 8.386e+03 0.00e+00 - 0 337 316 336 0 >> 106 8.855 4.995 121.028 0 U 9.289e+02 0.00e+00 - 0 337 388 336 0 >> 107 8.852 3.603 121.155 0 U 1.481e+03 0.00e+00 - 0 337 341 336 0 >> 108 8.851 2.861 121.114 0 U 2.303e+03 0.00e+00 - 0 337 342 336 0 >> 109 8.853 1.614 121.024 0 U 2.820e+03 0.00e+00 - 0 337 318 336 0 >> 110 8.851 1.150 121.049 0 U 7.488e+02 0.00e+00 - 0 337 894 336 0 >> 111 8.853 0.743 121.120 0 U 1.348e+03 0.00e+00 - 0 337 893 336 0 >> 112 7.498 7.762 111.779 0 U 2.642e+04 0.00e+00 - 0 971 1049 972 0 >> 113 7.517 6.864 112.411 0 U 8.836e+03 0.00e+00 - 0 1064 980 1063 0 >> 114 7.498 3.614 111.744 0 U 2.612e+03 0.00e+00 - 0 971 341 972 0 >> 115 7.498 2.858 111.722 0 U 3.383e+03 0.00e+00 - 0 971 342 972 0 >> 116 7.500 2.060 111.784 0 U 1.142e+03 0.00e+00 - 0 0 0 0 0 >> 117 7.500 1.890 111.811 0 U 1.804e+03 0.00e+00 - 0 971 881 972 0 >> 118 7.501 1.439 111.683 0 U 1.603e+03 0.00e+00 - 0 0 0 0 0 >> 119 7.499 1.150 111.730 0 U 1.747e+03 0.00e+00 - 0 971 894 972 0 >> 120 7.670 8.184 115.497 0 U 7.874e+03 0.00e+00 - 0 356 368 355 0 >> 122 7.667 4.310 115.507 0 U 2.435e+03 0.00e+00 - 0 356 358 355 0 >> 123 7.670 4.088 115.450 0 U 1.543e+03 0.00e+00 - 0 356 351 355 0 >> 124 7.673 3.601 115.530 0 U 1.386e+03 0.00e+00 - 0 356 341 355 0 >> 125 7.669 2.207 115.496 0 U 4.014e+03 0.00e+00 - 0 0 0 0 0 >> 126 7.670 2.011 115.490 0 U 7.124e+03 0.00e+00 - 0 356 361 355 0 >> 127 7.671 1.450 115.489 0 U 3.875e+03 0.00e+00 - 0 356 353 355 0 >> 128 8.186 7.663 107.462 0 U 6.613e+03 0.00e+00 - 0 368 356 367 0 >> 129 8.186 4.276 107.423 0 U 5.199e+03 0.00e+00 - 0 0 0 0 0 >> 130 8.187 3.594 107.446 0 U 7.749e+03 0.00e+00 - 0 368 371 367 0 >> 131 8.182 1.621 107.359 0 U 1.034e+03 0.00e+00 - 0 368 318 367 0 >> 132 8.248 8.846 122.395 0 U 1.521e+03 0.00e+00 - 0 374 337 373 0 >> 133 8.250 8.376 122.437 0 U 1.184e+03 0.00e+00 - 0 648 671 647 0 >> 134 8.252 7.668 122.463 0 U 1.190e+03 0.00e+00 - 0 374 356 373 0 >> 135 8.251 4.616 122.494 0 U 2.764e+03 0.00e+00 - 0 374 1021 373 0 >> 137 8.250 3.597 122.429 0 U 2.012e+03 0.00e+00 - 0 374 371 373 0 >> 138 8.249 2.246 122.405 0 U 4.780e+03 0.00e+00 - 0 0 0 0 0 >> 139 8.249 2.070 122.409 0 U 4.511e+03 0.00e+00 - 0 0 0 0 0 >> 140 8.250 1.888 122.405 0 U 5.535e+03 0.00e+00 - 0 374 881 373 0 >> 141 8.264 1.462 122.418 0 U 9.609e+02 0.00e+00 - 0 0 0 0 0 >> 142 8.512 5.738 114.802 0 U 1.884e+03 0.00e+00 - 0 399 401 398 0 >> 143 8.511 5.366 114.773 0 U 1.475e+03 0.00e+00 - 0 399 316 398 0 >> 144 8.514 5.003 114.810 0 U 1.033e+04 0.00e+00 - 0 399 388 398 0 >> 145 8.515 2.223 114.786 0 U 7.889e+02 0.00e+00 - 0 399 403 398 0 >> 146 8.511 1.813 114.875 0 U 8.553e+02 0.00e+00 - 0 399 390 398 0 >> 147 8.515 1.147 114.860 0 U 9.947e+02 0.00e+00 - 0 399 894 398 0 >> 148 8.514 0.745 114.792 0 U 3.511e+03 0.00e+00 - 0 399 893 398 0 >> 149 9.817 5.733 121.871 0 U 4.381e+03 0.00e+00 - 0 410 401 409 0 >> 150 9.815 4.424 121.839 0 U 8.693e+02 0.00e+00 - 0 410 153 409 0 >> 151 9.816 4.208 121.772 0 U 1.242e+03 0.00e+00 - 0 410 412 409 0 >> 152 9.819 3.003 121.890 0 U 2.003e+03 0.00e+00 - 0 0 0 0 0 >> 153 9.822 2.450 121.934 0 U 1.465e+03 0.00e+00 - 0 410 895 409 0 >> 154 9.818 2.228 121.907 0 U 2.131e+03 0.00e+00 - 0 410 403 409 0 >> 155 9.818 1.180 121.864 0 U 1.177e+03 0.00e+00 - 0 0 0 0 0 >> 156 7.531 6.919 114.250 0 U 5.707e+03 0.00e+00 - 0 974 976 975 0 >> 157 7.533 3.231 114.276 0 U 7.608e+02 0.00e+00 - 0 974 424 975 0 >> 158 7.847 4.218 118.533 0 U 1.654e+03 0.00e+00 - 0 419 412 418 0 >> 159 7.838 3.201 119.819 0 U 1.293e+04 0.00e+00 - 0 467 471 466 0 >> 160 7.851 2.986 118.534 0 U 1.457e+03 0.00e+00 - 0 419 415 418 0 >> 161 7.847 2.693 118.526 0 U 1.033e+03 0.00e+00 - 0 419 423 418 0 >> 162 6.926 7.524 114.246 0 U 6.886e+03 0.00e+00 - 0 976 974 975 0 >> 163 6.924 2.702 114.184 0 U 8.867e+02 0.00e+00 - 0 976 423 975 0 >> 164 6.925 0.836 114.180 0 U 2.381e+03 0.00e+00 - 0 0 0 0 0 >> 165 8.174 9.271 119.171 0 U 2.507e+03 0.00e+00 - 0 0 0 0 0 >> 166 8.175 4.124 119.139 0 U 3.511e+03 0.00e+00 - 0 0 0 0 0 >> 167 8.171 3.210 118.996 0 U 8.602e+02 0.00e+00 - 0 431 424 430 0 >> 168 8.173 2.704 119.221 0 U 2.321e+03 0.00e+00 - 0 431 423 430 0 >> 169 8.174 1.506 119.165 0 U 8.852e+03 0.00e+00 - 0 431 435 430 0 >> 170 9.277 8.165 122.296 0 U 2.156e+03 0.00e+00 - 0 438 431 437 0 >> 171 9.276 4.015 122.275 0 U 1.776e+03 0.00e+00 - 0 438 440 437 0 >> 172 9.275 3.292 122.311 0 U 1.644e+03 0.00e+00 - 0 438 443 437 0 >> 173 9.277 3.139 122.296 0 U 3.783e+03 0.00e+00 - 0 438 896 437 0 >> 174 9.277 1.507 122.314 0 U 4.148e+03 0.00e+00 - 0 438 435 437 0 >> 175 9.311 8.740 109.586 0 U 1.960e+03 0.00e+00 - 0 447 453 446 0 >> 176 9.307 3.915 109.643 0 U 2.196e+03 0.00e+00 - 0 447 449 446 0 >> 177 9.307 3.517 109.676 0 U 4.017e+03 0.00e+00 - 0 447 450 446 0 >> 178 9.306 3.133 109.608 0 U 1.233e+03 0.00e+00 - 0 447 896 446 0 >> 179 9.308 0.749 109.705 0 U 1.286e+03 0.00e+00 - 0 447 893 446 0 >> 180 8.744 9.296 123.523 0 U 2.849e+03 0.00e+00 - 0 0 0 0 0 >> 181 8.745 7.830 123.531 0 U 4.006e+03 0.00e+00 - 0 0 0 0 0 >> 182 8.759 4.606 123.193 0 U 7.488e+03 0.00e+00 - 0 27 567 26 0 >> 183 8.744 4.058 123.534 0 U 4.034e+03 0.00e+00 - 0 0 0 0 0 >> 184 8.743 3.907 123.561 0 U 8.484e+02 0.00e+00 - 0 453 449 452 0 >> 185 8.741 3.514 123.462 0 U 1.935e+03 0.00e+00 - 0 453 450 452 0 >> 186 8.759 3.125 123.310 0 U 2.257e+03 0.00e+00 - 0 27 1010 26 0 >> 187 8.746 1.752 123.497 0 U 5.241e+03 0.00e+00 - 0 0 0 0 0 >> 188 8.752 1.692 123.372 0 U 4.318e+03 0.00e+00 - 0 0 0 0 0 >> 189 8.744 1.508 123.544 0 U 2.937e+03 0.00e+00 - 0 453 458 452 0 >> 190 8.759 1.140 123.235 0 U 2.849e+03 0.00e+00 - 0 27 1009 26 0 >> 191 8.743 0.823 123.574 0 U 1.623e+03 0.00e+00 - 0 0 0 0 0 >> 192 7.837 8.736 119.825 0 U 5.247e+03 0.00e+00 - 0 467 453 466 0 >> 193 7.838 4.064 119.845 0 U 5.443e+03 0.00e+00 - 0 0 0 0 0 >> 194 7.838 1.766 119.849 0 U 2.877e+03 0.00e+00 - 0 467 457 466 0 >> 195 7.838 1.515 119.795 0 U 2.201e+03 0.00e+00 - 0 467 458 466 0 >> 196 7.848 4.526 117.093 0 U 2.760e+03 0.00e+00 - 0 486 488 485 0 >> 197 7.848 4.058 117.071 0 U 1.485e+03 0.00e+00 - 0 0 0 0 0 >> 198 7.849 3.200 117.118 0 U 5.021e+03 0.00e+00 - 0 486 471 485 0 >> 199 7.849 2.222 117.114 0 U 8.363e+03 0.00e+00 - 0 0 0 0 0 >> 200 7.800 4.522 120.349 0 U 1.152e+03 0.00e+00 - 0 499 488 498 0 >> 201 7.795 2.227 120.546 0 U 2.415e+03 0.00e+00 - 0 0 0 0 0 >> 202 7.796 1.934 120.580 0 U 8.579e+03 0.00e+00 - 0 0 0 0 0 >> 203 7.780 8.360 117.541 0 U 3.423e+03 0.00e+00 - 0 518 532 517 0 >> 204 7.781 4.029 117.576 0 U 6.267e+03 0.00e+00 - 0 0 0 0 0 >> 205 7.780 1.943 117.570 0 U 4.915e+03 0.00e+00 - 0 0 0 0 0 >> 206 7.780 1.290 117.554 0 U 6.948e+03 0.00e+00 - 0 518 916 517 0 >> 207 7.780 1.166 117.568 0 U 3.336e+03 0.00e+00 - 0 518 920 517 0 >> 208 7.780 0.890 117.601 0 U 4.187e+03 0.00e+00 - 0 518 917 517 0 >> 209 7.782 0.689 117.475 0 U 1.017e+03 0.00e+00 - 0 0 0 0 0 >> 210 8.368 8.515 113.864 0 U 3.017e+03 0.00e+00 - 0 532 548 531 0 >> 211 8.367 7.775 113.809 0 U 4.579e+03 0.00e+00 - 0 532 518 531 0 >> 212 8.359 7.336 113.779 0 U 9.307e+02 0.00e+00 - 0 0 0 0 0 >> 213 8.361 5.511 113.682 0 U 8.542e+02 0.00e+00 - 0 532 998 531 0 >> 214 8.368 4.650 113.769 0 U 1.817e+03 0.00e+00 - 0 532 534 531 0 >> 215 8.368 4.524 113.734 0 U 9.932e+02 0.00e+00 - 0 532 488 531 0 >> 216 8.367 4.029 113.767 0 U 1.615e+03 0.00e+00 - 0 0 0 0 0 >> 217 8.367 3.061 113.829 0 U 1.921e+03 0.00e+00 - 0 532 922 531 0 >> 218 8.367 2.687 113.814 0 U 3.841e+03 0.00e+00 - 0 532 921 531 0 >> 219 8.366 1.290 113.846 0 U 2.003e+03 0.00e+00 - 0 532 916 531 0 >> 220 8.367 0.895 113.822 0 U 2.105e+03 0.00e+00 - 0 532 917 531 0 >> 221 8.531 8.362 108.621 0 U 2.563e+03 0.00e+00 - 0 548 532 547 0 >> 222 8.536 7.364 108.616 0 U 1.938e+03 0.00e+00 - 0 548 554 547 0 >> 223 8.535 4.528 108.567 0 U 1.291e+03 0.00e+00 - 0 548 488 547 0 >> 224 8.530 4.141 108.491 0 U 2.555e+03 0.00e+00 - 0 548 551 547 0 >> 225 8.534 3.927 108.574 0 U 3.479e+03 0.00e+00 - 0 548 550 547 0 >> 226 7.364 8.533 112.961 0 U 1.601e+03 0.00e+00 - 0 554 548 553 0 >> 227 7.364 2.686 112.998 0 U 9.463e+02 0.00e+00 - 0 554 921 553 0 >> 228 7.365 1.023 112.998 0 U 1.530e+03 0.00e+00 - 0 554 1007 553 0 >> 229 8.762 7.599 123.136 0 U 1.019e+03 0.00e+00 - 0 27 970 26 0 >> 230 8.758 7.327 123.215 0 U 1.215e+03 0.00e+00 - 0 27 983 26 0 >> 231 8.759 2.181 123.236 0 U 1.304e+03 0.00e+00 - 0 27 929 26 0 >> 232 8.282 1.777 122.581 0 U 1.571e+03 0.00e+00 - 0 614 606 613 0 >> 233 8.280 0.718 122.672 0 U 9.191e+02 0.00e+00 - 0 614 940 613 0 >> 234 8.509 4.289 122.053 0 U 8.723e+02 0.00e+00 - 0 0 0 0 0 >> 235 8.026 3.956 119.933 0 U 9.208e+02 0.00e+00 - 0 708 704 707 0 >> 236 8.024 1.874 119.873 0 U 6.552e+02 0.00e+00 - 0 708 712 707 0 >> 237 6.870 7.510 112.406 0 U 8.295e+03 0.00e+00 - 0 980 1064 1063 0 >> 238 8.146 4.349 121.227 0 U 1.784e+03 0.00e+00 - 0 770 749 769 0 >> 239 8.146 4.134 121.293 0 U 1.169e+03 0.00e+00 - 0 0 0 0 0 >> 240 7.981 4.322 127.701 0 U 3.138e+03 0.00e+00 - 0 812 791 811 0 >> 241 7.982 4.115 127.769 0 U 2.449e+03 0.00e+00 - 0 812 1029 811 0 >> 242 7.791 0.119 122.163 0 U 5.497e+02 0.00e+00 - 0 128 846 127 0 >> 243 9.082 5.728 116.510 0 U 7.256e+02 0.00e+00 - 0 167 401 166 0 >> 244 9.082 8.150 116.510 0 U 6.914e+02 0.00e+00 - 0 167 188 166 0 >> 245 9.082 2.235 116.510 0 U 5.843e+02 0.00e+00 - 0 0 0 0 0 >> 246 8.712 1.152 118.366 0 U 8.462e+02 0.00e+00 - 0 981 1009 982 0 >> 247 7.603 1.152 118.438 0 U 4.890e+02 0.00e+00 - 0 970 1009 982 0 >> 248 7.603 2.694 118.376 0 U 7.216e+02 0.00e+00 - 0 970 171 982 0 >> 249 7.791 4.019 122.163 0 U 1.272e+03 0.00e+00 - 0 128 130 127 0 >> 250 7.370 3.495 113.571 0 U 8.412e+02 0.00e+00 - 0 0 0 0 0 >> 251 7.364 3.063 112.998 0 U 6.156e+02 0.00e+00 - 0 554 922 553 0 >> 252 8.847 8.148 123.033 0 U 5.912e+02 0.00e+00 - 0 151 188 150 0 >> 253 8.847 8.575 123.033 0 U 6.211e+02 0.00e+00 - 0 151 203 150 0 >> 254 8.712 3.284 118.438 0 U 7.140e+02 0.00e+00 - 0 0 0 0 0 >> 255 8.154 2.472 115.957 0 U 1.461e+03 0.00e+00 - 0 0 0 0 0 >> 256 6.507 2.254 112.208 0 U 9.094e+02 0.00e+00 - 0 979 849 978 0 >> 257 6.507 4.270 112.208 0 U 5.452e+02 0.00e+00 - 0 979 190 978 0 >> 258 8.570 8.830 116.736 0 U 1.346e+03 0.00e+00 - 0 203 151 202 0 >> 259 8.410 3.135 124.656 0 U 2.140e+03 0.00e+00 - 0 267 272 266 0 >> 260 8.852 3.002 121.087 0 U 5.905e+02 0.00e+00 - 0 337 876 336 0 >> 261 7.765 8.242 111.724 0 U 8.502e+02 0.00e+00 - 0 1049 374 972 0 >> 262 7.769 1.147 111.709 0 U 7.115e+02 0.00e+00 - 0 1049 894 972 0 >> 263 7.499 2.218 111.853 0 U 6.248e+02 0.00e+00 - 0 971 884 972 0 >> 264 7.670 2.321 115.497 0 U 1.618e+03 0.00e+00 - 0 356 879 355 0 >> 266 8.186 2.010 107.426 0 U 6.006e+02 0.00e+00 - 0 368 361 367 0 >> 267 8.186 2.227 107.426 0 U 7.477e+02 0.00e+00 - 0 0 0 0 0 >> 268 8.186 4.092 107.426 0 U 6.642e+02 0.00e+00 - 0 368 351 367 0 >> 269 8.250 7.762 122.429 0 U 1.071e+03 0.00e+00 - 0 374 1049 373 0 >> 270 8.250 7.486 122.429 0 U 6.552e+02 0.00e+00 - 0 374 971 373 0 >> 271 8.513 1.865 114.800 0 U 6.867e+02 0.00e+00 - 0 399 391 398 0 >> 272 8.515 3.017 114.809 0 U 6.351e+02 0.00e+00 - 0 399 876 398 0 >> 273 8.515 9.142 114.809 0 U 7.788e+02 0.00e+00 - 0 399 291 398 0 >> 274 9.818 3.121 121.864 0 U 9.523e+02 0.00e+00 - 0 410 896 409 0 >> 275 9.818 0.760 121.864 0 U 5.132e+02 0.00e+00 - 0 410 893 409 0 >> 276 7.848 8.151 118.528 0 U 6.693e+02 0.00e+00 - 0 419 431 418 0 >> 277 7.848 3.214 118.528 0 U 5.100e+02 0.00e+00 - 0 419 424 418 0 >> 278 7.526 2.702 114.228 0 U 7.688e+02 0.00e+00 - 0 974 423 975 0 >> 279 8.173 7.848 119.132 0 U 8.924e+02 0.00e+00 - 0 431 419 430 0 >> 280 9.307 2.242 109.645 0 U 5.694e+02 0.00e+00 - 0 447 403 446 0 >> 281 7.838 0.841 119.827 0 U 6.512e+02 0.00e+00 - 0 0 0 0 0 >> 282 7.838 7.325 119.827 0 U 1.142e+03 0.00e+00 - 0 467 983 466 0 >> 283 7.848 7.325 117.089 0 U 9.236e+02 0.00e+00 - 0 486 983 485 0 >> 284 7.795 1.514 120.513 0 U 5.890e+02 0.00e+00 - 0 499 908 498 0 >> 285 7.794 1.628 120.398 0 U 5.728e+02 0.00e+00 - 0 499 911 498 0 >> 286 8.534 4.629 108.589 0 U 8.526e+02 0.00e+00 - 0 548 534 547 0 >> 287 7.365 4.128 112.990 0 U 1.323e+03 0.00e+00 - 0 554 551 553 0 >> 288 8.753 3.240 123.228 0 U 1.301e+03 0.00e+00 - 0 0 0 0 0 >> 289 8.273 0.870 122.589 0 U 7.856e+02 0.00e+00 - 0 614 941 613 0 >> 290 8.329 4.659 119.065 0 U 3.098e+03 0.00e+00 - 0 314 293 313 0 >> 291 6.976 4.335 123.435 0 U 6.633e+02 0.00e+00 - 0 253 255 252 0 >> 292 9.996 0.098 127.985 0 U 6.351e+02 0.00e+00 - 0 989 846 990 0 >> 293 8.852 4.854 121.087 0 U 2.442e+03 0.00e+00 - 0 337 339 336 0 >> 294 8.282 2.187 122.599 0 U 1.333e+03 0.00e+00 - 0 614 605 613 0 >> 295 8.250 4.287 122.429 0 U 1.881e+03 0.00e+00 - 0 374 370 373 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.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 all . 9000.9 . . 19312 1 >> 2 H 1 all . 9000.9 . . 19312 1 >> 3 N 15 amide . 3954.9 . . 19312 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 . loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H all 2 H all 3 C cali stop_ _Sample_label $hr4783b.009 _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 19312 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $hr4783b.009 >> _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 . >> _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 >>#CYANAFORMAT HhC >> 1 4.446 2.017 55.519 0 U 7.562e+02 0.00e+00 - 0 0 0 0 0 >> 2 2.435 2.793 32.201 0 U -1.266e+04 0.00e+00 - 0 904 905 903 0 >> 3 1.443 9.555 18.973 0 U -8.464e+03 0.00e+00 - 0 164 160 163 0 >> 4 1.419 4.324 18.989 0 U -7.124e+03 0.00e+00 - 0 1077 1074 1076 0 >> 5 1.444 4.158 18.932 0 U -1.518e+04 0.00e+00 - 0 164 162 163 0 >> 6 4.331 1.409 52.790 0 U 4.909e+03 0.00e+00 - 0 1074 1077 1075 0 >> 7 4.396 3.873 58.426 0 U 4.176e+03 0.00e+00 - 0 58 833 57 0 >> 8 4.335 8.405 55.295 0 U 7.624e+03 0.00e+00 - 0 255 267 254 0 >> 9 4.351 3.177 55.927 0 U 2.372e+03 0.00e+00 - 0 749 1067 748 0 >> 10 4.349 1.765 55.931 0 U 1.109e+04 0.00e+00 - 0 0 0 0 0 >> 11 4.350 1.608 55.927 0 U 6.101e+03 0.00e+00 - 0 0 0 0 0 >> 12 4.335 1.436 55.245 0 U 5.888e+03 0.00e+00 - 0 255 257 254 0 >> 13 4.337 0.913 55.329 0 U 4.623e+03 0.00e+00 - 0 255 865 254 0 >> 14 2.030 8.330 32.761 0 U -1.786e+03 0.00e+00 - 0 295 314 294 0 >> 15 2.032 4.657 32.756 0 U -1.743e+03 0.00e+00 - 0 295 293 294 0 >> 16 2.053 4.416 32.713 0 U -2.246e+03 0.00e+00 - 0 943 637 638 0 >> 17 2.046 4.127 32.890 0 U -9.043e+02 0.00e+00 - 0 115 113 114 0 >> 18 2.031 1.406 32.767 0 U -8.271e+03 0.00e+00 - 0 295 296 294 0 >> 19 2.054 0.911 32.853 0 U -9.464e+03 0.00e+00 - 0 0 0 0 0 >> 20 2.037 0.753 32.839 0 U -1.302e+03 0.00e+00 - 0 295 893 294 0 >> 21 4.153 2.040 61.991 0 U 1.290e+03 0.00e+00 - 0 113 115 112 0 >> 22 4.146 1.218 62.686 0 U 7.883e+03 0.00e+00 - 0 245 860 244 0 >> 23 4.143 0.903 61.927 0 U 4.792e+03 0.00e+00 - 0 0 0 0 0 >> 24 3.890 7.786 44.873 0 U -2.498e+03 0.00e+00 - 0 125 128 123 0 >> 25 0.267 4.013 22.993 0 U -3.550e+03 0.00e+00 - 0 845 130 843 0 >> 26 0.267 1.776 22.986 0 U -1.718e+03 0.00e+00 - 0 0 0 0 0 >> 27 0.267 0.890 23.000 0 U -1.658e+03 0.00e+00 - 0 845 847 843 0 >> 28 0.263 0.735 23.004 0 U -8.361e+02 0.00e+00 - 0 845 133 843 0 >> 29 0.267 0.259 22.993 0 U -3.584e+05 0.00e+00 - 0 0 0 0 0 >> 30 0.920 7.792 26.443 0 U -8.661e+02 0.00e+00 - 0 847 128 844 0 >> 31 0.924 0.277 26.308 0 U -1.922e+03 0.00e+00 - 0 0 0 0 0 >> 32 0.283 0.924 42.043 0 U -1.067e+03 0.00e+00 - 0 132 847 131 0 >> 33 0.287 0.747 41.994 0 U -4.516e+03 0.00e+00 - 0 132 133 131 0 >> 34 4.020 7.362 54.695 0 U 7.988e+03 0.00e+00 - 0 130 142 129 0 >> 35 4.023 0.745 54.611 0 U 1.000e+03 0.00e+00 - 0 130 133 129 0 >> 36 4.020 0.265 54.681 0 U 4.619e+03 0.00e+00 - 0 0 0 0 0 >> 37 0.109 7.169 23.827 0 U -7.845e+02 0.00e+00 - 0 846 987 842 0 >> 38 0.104 4.015 23.756 0 U -1.069e+03 0.00e+00 - 0 846 130 842 0 >> 39 0.108 1.875 23.745 0 U -9.969e+02 0.00e+00 - 0 846 391 842 0 >> 40 0.104 1.781 23.938 0 U -1.354e+03 0.00e+00 - 0 0 0 0 0 >> 41 0.103 0.911 23.775 0 U -2.407e+03 0.00e+00 - 0 846 847 842 0 >> 42 0.104 0.751 23.760 0 U -2.086e+03 0.00e+00 - 0 846 133 842 0 >> 43 0.757 0.912 42.026 0 U -3.539e+03 0.00e+00 - 0 133 847 131 0 >> 44 0.758 0.279 41.985 0 U -7.816e+03 0.00e+00 - 0 0 0 0 0 >> 45 0.759 0.113 41.922 0 U -1.655e+03 0.00e+00 - 0 133 846 131 0 >> 46 3.533 8.841 65.423 0 U 1.486e+03 0.00e+00 - 0 147 151 145 0 >> 47 3.533 7.367 65.358 0 U 1.012e+03 0.00e+00 - 0 147 142 145 0 >> 48 3.531 5.002 65.468 0 U 3.696e+03 0.00e+00 - 0 147 144 145 0 >> 49 3.532 4.275 65.350 0 U 1.018e+03 0.00e+00 - 0 147 190 145 0 >> 50 3.532 1.328 65.452 0 U 2.594e+03 0.00e+00 - 0 147 852 145 0 >> 51 3.456 8.839 65.429 0 U 1.412e+03 0.00e+00 - 0 146 151 145 0 >> 52 3.457 7.357 65.399 0 U 1.277e+03 0.00e+00 - 0 146 142 145 0 >> 53 3.454 5.001 65.417 0 U 3.816e+03 0.00e+00 - 0 146 144 145 0 >> 54 3.457 4.260 65.337 0 U 9.086e+02 0.00e+00 - 0 146 190 145 0 >> 55 3.454 1.328 65.453 0 U 2.723e+03 0.00e+00 - 0 146 852 145 0 >> 56 5.009 8.839 56.068 0 U 7.079e+03 0.00e+00 - 0 144 151 143 0 >> 57 5.005 7.360 56.003 0 U 2.068e+03 0.00e+00 - 0 144 142 143 0 >> 58 5.009 7.066 55.997 0 U 3.875e+03 0.00e+00 - 0 0 0 0 0 >> 59 5.008 3.491 56.015 0 U 5.714e+03 0.00e+00 - 0 0 0 0 0 >> 60 4.982 2.690 55.743 0 U 4.545e+03 0.00e+00 - 0 169 171 168 0 >> 61 5.011 1.334 56.037 0 U 2.820e+03 0.00e+00 - 0 144 852 143 0 >> 62 3.488 8.837 31.202 0 U -2.615e+03 0.00e+00 - 0 156 151 154 0 >> 63 3.486 8.560 31.164 0 U -1.940e+03 0.00e+00 - 0 156 203 154 0 >> 64 3.486 8.142 31.129 0 U -1.685e+03 0.00e+00 - 0 156 188 154 0 >> 65 3.487 4.425 31.180 0 U -1.177e+03 0.00e+00 - 0 156 153 154 0 >> 66 3.486 3.014 31.140 0 U -8.157e+03 0.00e+00 - 0 156 155 154 0 >> 67 3.483 2.465 31.078 0 U -1.018e+03 0.00e+00 - 0 0 0 0 0 >> 68 3.483 1.172 31.177 0 U -1.982e+03 0.00e+00 - 0 156 851 154 0 >> 69 3.016 9.818 31.108 0 U -1.644e+03 0.00e+00 - 0 155 410 154 0 >> 70 3.019 8.839 31.108 0 U -3.044e+03 0.00e+00 - 0 155 151 154 0 >> 71 3.023 8.559 31.214 0 U -9.028e+02 0.00e+00 - 0 155 203 154 0 >> 72 3.017 8.150 31.159 0 U -1.114e+03 0.00e+00 - 0 155 188 154 0 >> 73 3.024 6.309 31.109 0 U -1.226e+03 0.00e+00 - 0 155 997 154 0 >> 74 3.020 4.432 31.148 0 U -1.996e+03 0.00e+00 - 0 155 153 154 0 >> 75 2.989 4.217 31.054 0 U -2.968e+03 0.00e+00 - 0 415 412 413 0 >> 76 3.021 3.477 31.148 0 U -9.782e+03 0.00e+00 - 0 155 156 154 0 >> 77 2.993 2.456 31.054 0 U -8.771e+03 0.00e+00 - 0 415 895 413 0 >> 78 3.013 1.177 31.135 0 U -3.902e+03 0.00e+00 - 0 0 0 0 0 >> 79 4.438 9.557 59.652 0 U 6.693e+03 0.00e+00 - 0 153 160 152 0 >> 80 4.436 5.737 59.612 0 U 4.011e+03 0.00e+00 - 0 153 401 152 0 >> 81 4.439 3.010 59.594 0 U 2.463e+03 0.00e+00 - 0 153 155 152 0 >> 82 1.441 9.072 18.961 0 U -2.439e+03 0.00e+00 - 0 164 167 163 0 >> 83 1.443 7.763 18.968 0 U -2.289e+03 0.00e+00 - 0 164 1049 163 0 >> 84 1.444 7.491 18.992 0 U -2.232e+03 0.00e+00 - 0 164 971 163 0 >> 85 1.439 5.731 19.034 0 U -1.021e+03 0.00e+00 - 0 164 401 163 0 >> 86 1.444 4.976 18.964 0 U -1.014e+03 0.00e+00 - 0 164 169 163 0 >> 87 1.443 4.417 18.966 0 U -8.529e+02 0.00e+00 - 0 164 153 163 0 >> 88 1.443 3.796 18.989 0 U -1.492e+03 0.00e+00 - 0 164 890 163 0 >> 89 1.443 2.241 18.950 0 U -2.204e+03 0.00e+00 - 0 0 0 0 0 >> 90 1.444 2.054 18.959 0 U -5.430e+03 0.00e+00 - 0 164 882 163 0 >> 91 1.443 1.887 18.963 0 U -3.719e+03 0.00e+00 - 0 164 881 163 0 >> 92 1.443 1.734 18.984 0 U -1.375e+03 0.00e+00 - 0 164 889 163 0 >> 94 4.168 9.551 55.002 0 U 3.045e+03 0.00e+00 - 0 162 160 161 0 >> 95 4.165 9.069 55.004 0 U 1.003e+03 0.00e+00 - 0 162 167 161 0 >> 97 4.167 1.436 55.013 0 U 1.299e+04 0.00e+00 - 0 162 164 161 0 >> 98 3.519 9.075 40.044 0 U -1.798e+03 0.00e+00 - 0 172 167 170 0 >> 99 3.516 8.725 40.046 0 U -3.470e+03 0.00e+00 - 0 0 0 0 0 >> 100 3.517 7.590 39.993 0 U -8.801e+02 0.00e+00 - 0 172 970 170 0 >> 101 3.517 4.979 40.001 0 U -1.375e+03 0.00e+00 - 0 172 169 170 0 >> 102 3.515 2.688 40.048 0 U -1.011e+04 0.00e+00 - 0 172 171 170 0 >> 103 2.699 9.077 40.069 0 U -2.832e+03 0.00e+00 - 0 171 167 170 0 >> 104 2.696 8.721 40.050 0 U -3.085e+03 0.00e+00 - 0 0 0 0 0 >> 105 2.696 4.972 40.025 0 U -3.556e+03 0.00e+00 - 0 171 169 170 0 >> 106 2.696 3.508 40.054 0 U -1.377e+04 0.00e+00 - 0 171 172 170 0 >> 107 2.709 3.229 39.501 0 U -9.862e+03 0.00e+00 - 0 423 424 422 0 >> 108 2.698 1.148 39.973 0 U -1.109e+03 0.00e+00 - 0 171 894 170 0 >> 109 4.982 9.073 55.854 0 U 2.543e+03 0.00e+00 - 0 169 167 168 0 >> 110 2.429 8.739 33.680 0 U -1.468e+03 0.00e+00 - 0 184 179 182 0 >> 111 2.434 4.904 33.677 0 U -3.618e+03 0.00e+00 - 0 184 181 182 0 >> 112 2.434 3.278 33.660 0 U -1.545e+04 0.00e+00 - 0 184 183 182 0 >> 113 2.425 0.867 33.565 0 U -9.804e+02 0.00e+00 - 0 184 941 182 0 >> 114 2.433 0.711 33.606 0 U -1.098e+03 0.00e+00 - 0 184 940 182 0 >> 115 3.282 8.741 33.692 0 U -1.068e+03 0.00e+00 - 0 183 179 182 0 >> 116 3.286 4.905 33.681 0 U -4.169e+03 0.00e+00 - 0 183 181 182 0 >> 117 3.285 2.427 33.667 0 U -1.534e+04 0.00e+00 - 0 183 184 182 0 >> 118 3.283 0.867 33.679 0 U -9.087e+02 0.00e+00 - 0 183 941 182 0 >> 119 3.285 0.720 33.641 0 U -1.086e+03 0.00e+00 - 0 183 940 182 0 >> 120 4.914 3.300 59.158 0 U 4.295e+03 0.00e+00 - 0 181 183 180 0 >> 121 4.915 2.423 59.166 0 U 3.687e+03 0.00e+00 - 0 181 184 180 0 >> 122 4.916 0.866 59.105 0 U 3.739e+03 0.00e+00 - 0 181 941 180 0 >> 123 4.280 8.833 58.416 0 U 1.025e+03 0.00e+00 - 0 190 151 189 0 >> 124 4.282 8.147 58.289 0 U 8.102e+03 0.00e+00 - 0 190 188 189 0 >> 125 4.286 3.449 58.219 0 U 2.479e+03 0.00e+00 - 0 190 156 189 0 >> 126 4.283 2.492 58.249 0 U 2.253e+03 0.00e+00 - 0 190 193 189 0 >> 127 4.283 2.350 58.254 0 U 3.646e+03 0.00e+00 - 0 190 192 189 0 >> 128 2.501 4.282 25.915 0 U -1.628e+03 0.00e+00 - 0 193 190 191 0 >> 130 2.502 2.360 25.996 0 U -1.815e+04 0.00e+00 - 0 193 192 191 0 >> 131 2.271 8.142 34.448 0 U -1.775e+03 0.00e+00 - 0 849 188 848 0 >> 132 2.268 4.278 34.462 0 U -3.590e+03 0.00e+00 - 0 849 190 848 0 >> 133 2.266 2.489 34.481 0 U -1.171e+04 0.00e+00 - 0 849 193 848 0 >> 134 2.372 4.273 25.959 0 U -2.093e+03 0.00e+00 - 0 192 190 191 0 >> 135 2.366 2.491 26.006 0 U -2.041e+04 0.00e+00 - 0 192 193 191 0 >> 136 1.183 8.838 22.029 0 U -1.692e+03 0.00e+00 - 0 851 151 850 0 >> 137 1.184 8.564 21.965 0 U -5.251e+03 0.00e+00 - 0 851 203 850 0 >> 138 1.183 8.279 21.995 0 U -1.641e+03 0.00e+00 - 0 0 0 0 0 >> 139 1.184 7.060 22.006 0 U -1.755e+03 0.00e+00 - 0 851 993 850 0 >> 140 1.184 4.598 21.977 0 U -8.975e+03 0.00e+00 - 0 0 0 0 0 >> 141 1.227 4.165 22.275 0 U -1.414e+04 0.00e+00 - 0 0 0 0 0 >> 142 1.187 3.708 21.918 0 U -1.572e+03 0.00e+00 - 0 851 857 850 0 >> 143 1.185 3.476 21.967 0 U -3.777e+03 0.00e+00 - 0 851 156 850 0 >> 144 1.184 3.004 21.982 0 U -6.812e+03 0.00e+00 - 0 0 0 0 0 >> 145 1.183 2.455 21.987 0 U -4.896e+03 0.00e+00 - 0 0 0 0 0 >> 146 4.607 8.550 68.491 0 U 4.119e+03 0.00e+00 - 0 207 203 206 0 >> 147 4.612 1.171 68.477 0 U 6.058e+03 0.00e+00 - 0 207 851 206 0 >> 148 4.573 8.200 63.332 0 U 5.134e+03 0.00e+00 - 0 205 213 204 0 >> 149 1.339 8.209 21.495 0 U -1.566e+03 0.00e+00 - 0 852 213 853 0 >> 150 1.338 5.101 21.482 0 U -6.154e+03 0.00e+00 - 0 852 215 853 0 >> 151 1.338 4.756 21.486 0 U -9.203e+03 0.00e+00 - 0 852 217 853 0 >> 152 1.339 4.588 21.500 0 U -1.059e+03 0.00e+00 - 0 852 205 853 0 >> 153 1.338 3.499 21.481 0 U -3.641e+03 0.00e+00 - 0 0 0 0 0 >> 154 5.107 7.061 61.217 0 U 3.037e+03 0.00e+00 - 0 0 0 0 0 >> 155 5.108 4.758 61.198 0 U 4.449e+03 0.00e+00 - 0 215 217 214 0 >> 156 5.110 3.508 61.208 0 U 1.147e+03 0.00e+00 - 0 215 147 214 0 >> 157 5.110 1.329 61.196 0 U 4.506e+03 0.00e+00 - 0 215 852 214 0 >> 158 1.157 8.271 20.746 0 U -1.092e+03 0.00e+00 - 0 855 223 854 0 >> 159 1.155 4.792 20.648 0 U -3.902e+03 0.00e+00 - 0 855 225 854 0 >> 160 1.154 3.997 20.658 0 U -9.487e+03 0.00e+00 - 0 855 227 854 0 >> 161 4.006 8.277 70.586 0 U 1.162e+03 0.00e+00 - 0 227 223 226 0 >> 162 4.005 4.791 70.627 0 U 3.704e+03 0.00e+00 - 0 227 225 226 0 >> 163 4.005 1.148 70.629 0 U 8.942e+03 0.00e+00 - 0 227 855 226 0 >> 164 3.724 4.468 67.485 0 U 1.473e+03 0.00e+00 - 0 857 856 815 0 >> 165 3.716 2.985 67.499 0 U 2.247e+03 0.00e+00 - 0 857 415 815 0 >> 166 3.723 -0.760 67.484 0 U 1.870e+03 0.00e+00 - 0 857 859 815 0 >> 167 4.472 3.714 60.120 0 U 4.097e+03 0.00e+00 - 0 856 857 816 0 >> 168 4.475 1.169 60.048 0 U 1.563e+03 0.00e+00 - 0 0 0 0 0 >> 169 4.188 1.217 68.860 0 U 9.482e+03 0.00e+00 - 0 247 860 246 0 >> 170 0.772 4.331 25.202 0 U -8.440e+02 0.00e+00 - 0 866 255 863 0 >> 171 0.771 1.440 25.203 0 U -8.226e+03 0.00e+00 - 0 866 257 863 0 >> 172 1.354 8.407 27.065 0 U -7.818e+02 0.00e+00 - 0 867 267 864 0 >> 173 1.356 4.323 26.850 0 U -8.350e+02 0.00e+00 - 0 867 255 864 0 >> 174 1.340 0.920 26.901 0 U -2.241e+03 0.00e+00 - 0 867 865 864 0 >> 175 1.443 6.960 44.591 0 U -7.085e+02 0.00e+00 - 0 0 0 0 0 >> 176 1.443 4.326 44.592 0 U -4.499e+03 0.00e+00 - 0 257 255 256 0 >> 177 1.444 3.227 44.606 0 U -1.891e+03 0.00e+00 - 0 257 424 256 0 >> 178 1.445 2.705 44.673 0 U -7.858e+02 0.00e+00 - 0 257 423 256 0 >> 179 1.442 0.912 44.592 0 U -3.506e+03 0.00e+00 - 0 257 865 256 0 >> 180 1.444 0.761 44.610 0 U -5.203e+03 0.00e+00 - 0 257 866 256 0 >> 181 0.923 8.403 23.820 0 U -2.300e+03 0.00e+00 - 0 865 267 862 0 >> 182 0.922 4.331 23.786 0 U -5.543e+03 0.00e+00 - 0 865 255 862 0 >> 183 0.923 1.433 23.782 0 U -5.245e+03 0.00e+00 - 0 865 257 862 0 >> 184 0.930 0.095 23.750 0 U -4.459e+03 0.00e+00 - 0 0 0 0 0 >> 185 4.634 9.147 57.014 0 U 4.949e+03 0.00e+00 - 0 269 291 268 0 >> 186 3.148 9.155 29.850 0 U -8.479e+02 0.00e+00 - 0 272 291 270 0 >> 187 3.141 8.404 29.767 0 U -1.761e+03 0.00e+00 - 0 272 267 270 0 >> 188 3.148 7.283 29.784 0 U -1.174e+03 0.00e+00 - 0 272 995 270 0 >> 189 3.140 7.177 29.803 0 U -1.075e+03 0.00e+00 - 0 272 987 270 0 >> 190 3.134 4.630 29.837 0 U -1.568e+03 0.00e+00 - 0 272 269 270 0 >> 191 3.141 3.017 29.791 0 U -1.761e+04 0.00e+00 - 0 272 271 270 0 >> 192 3.025 8.411 29.753 0 U -1.638e+03 0.00e+00 - 0 271 267 270 0 >> 193 3.015 7.295 29.806 0 U -9.759e+02 0.00e+00 - 0 271 995 270 0 >> 194 3.022 7.174 29.779 0 U -1.103e+03 0.00e+00 - 0 271 987 270 0 >> 195 3.021 4.637 29.840 0 U -1.424e+03 0.00e+00 - 0 271 269 270 0 >> 196 3.022 3.131 29.793 0 U -1.466e+04 0.00e+00 - 0 271 272 270 0 >> 197 1.413 9.132 32.696 0 U -1.110e+03 0.00e+00 - 0 296 291 294 0 >> 198 1.398 4.657 32.751 0 U -7.888e+02 0.00e+00 - 0 0 0 0 0 >> 199 1.410 3.255 32.602 0 U -7.587e+02 0.00e+00 - 0 296 871 294 0 >> 200 1.411 2.020 32.751 0 U -6.724e+03 0.00e+00 - 0 296 295 294 0 >> 201 1.412 0.744 32.733 0 U -1.673e+03 0.00e+00 - 0 296 893 294 0 >> 202 1.504 4.076 29.073 0 U -7.537e+02 0.00e+00 - 0 870 421 868 0 >> 203 1.495 3.063 29.090 0 U -1.297e+03 0.00e+00 - 0 870 872 868 0 >> 204 1.494 2.028 29.081 0 U -1.049e+03 0.00e+00 - 0 870 295 868 0 >> 205 1.503 1.619 29.099 0 U -1.532e+04 0.00e+00 - 0 870 869 868 0 >> 206 3.080 4.075 43.696 0 U -1.333e+03 0.00e+00 - 0 872 421 300 0 >> 207 3.082 3.520 43.619 0 U -1.582e+03 0.00e+00 - 0 872 450 300 0 >> 208 3.078 3.243 43.634 0 U -1.404e+04 0.00e+00 - 0 872 871 300 0 >> 209 3.079 2.021 43.603 0 U -1.085e+03 0.00e+00 - 0 872 295 300 0 >> 210 3.075 1.632 43.628 0 U -1.782e+03 0.00e+00 - 0 872 869 300 0 >> 211 3.080 1.446 43.604 0 U -2.379e+03 0.00e+00 - 0 0 0 0 0 >> 212 2.038 1.625 32.837 0 U -2.368e+03 0.00e+00 - 0 295 869 294 0 >> 213 1.639 4.660 29.091 0 U -8.943e+02 0.00e+00 - 0 869 293 868 0 >> 214 1.633 4.038 28.969 0 U -1.029e+03 0.00e+00 - 0 0 0 0 0 >> 215 1.638 3.252 29.093 0 U -8.290e+02 0.00e+00 - 0 869 871 868 0 >> 216 3.264 4.046 43.743 0 U -1.165e+03 0.00e+00 - 0 0 0 0 0 >> 217 3.195 3.188 43.272 0 U -1.952e+06 0.00e+00 - 0 0 0 0 0 >> 218 3.261 3.074 43.636 0 U -1.338e+04 0.00e+00 - 0 871 872 300 0 >> 219 3.262 2.877 43.931 0 U -1.513e+04 0.00e+00 - 0 1017 1016 1012 0 >> 220 3.258 2.008 43.728 0 U -9.156e+02 0.00e+00 - 0 871 295 300 0 >> 221 3.263 1.637 43.710 0 U -1.932e+03 0.00e+00 - 0 0 0 0 0 >> 222 3.259 1.473 43.735 0 U -2.010e+03 0.00e+00 - 0 0 0 0 0 >> 223 3.262 1.235 43.912 0 U -2.060e+03 0.00e+00 - 0 1017 1013 1012 0 >> 224 3.262 0.771 43.910 0 U -2.526e+03 0.00e+00 - 0 1017 1014 1012 0 >> 225 5.377 8.843 54.259 0 U 2.893e+03 0.00e+00 - 0 316 337 315 0 >> 226 5.371 8.508 54.270 0 U 9.449e+02 0.00e+00 - 0 316 399 315 0 >> 227 5.377 5.000 54.316 0 U 1.483e+03 0.00e+00 - 0 316 388 315 0 >> 228 5.374 3.007 54.219 0 U 1.310e+03 0.00e+00 - 0 316 876 315 0 >> 229 5.381 1.612 54.244 0 U 2.605e+03 0.00e+00 - 0 0 0 0 0 >> 230 5.373 0.743 54.207 0 U 9.108e+02 0.00e+00 - 0 316 893 315 0 >> 231 1.714 5.372 33.966 0 U -1.365e+03 0.00e+00 - 0 319 316 317 0 >> 232 1.707 3.006 33.985 0 U -1.289e+03 0.00e+00 - 0 319 876 317 0 >> 233 1.712 1.777 33.490 0 U -1.173e+05 0.00e+00 - 0 1041 1040 1026 0 >> 234 1.706 1.484 33.961 0 U -6.516e+03 0.00e+00 - 0 319 875 317 0 >> 235 1.480 5.362 26.584 0 U -1.136e+03 0.00e+00 - 0 875 316 873 0 >> 236 1.484 3.013 26.580 0 U -2.811e+03 0.00e+00 - 0 875 876 873 0 >> 237 1.486 1.613 26.603 0 U -3.340e+04 0.00e+00 - 0 0 0 0 0 >> 238 3.009 5.372 43.304 0 U -2.368e+03 0.00e+00 - 0 876 316 323 0 >> 239 3.009 5.002 43.270 0 U -2.184e+03 0.00e+00 - 0 876 388 323 0 >> 240 3.027 1.614 43.314 0 U -4.891e+03 0.00e+00 - 0 0 0 0 0 >> 241 3.017 1.483 43.332 0 U -2.460e+03 0.00e+00 - 0 876 875 323 0 >> 242 1.622 5.367 33.981 0 U -1.646e+03 0.00e+00 - 0 318 316 317 0 >> 243 1.618 3.590 34.033 0 U -7.296e+02 0.00e+00 - 0 318 371 317 0 >> 244 1.622 3.012 33.984 0 U -8.659e+02 0.00e+00 - 0 318 876 317 0 >> 245 1.625 5.371 26.624 0 U -1.442e+03 0.00e+00 - 0 874 316 873 0 >> 246 1.644 4.331 26.983 0 U -2.879e+03 0.00e+00 - 0 0 0 0 0 >> 247 1.644 3.184 26.970 0 U -7.399e+03 0.00e+00 - 0 0 0 0 0 >> 248 1.622 3.015 26.555 0 U -2.899e+03 0.00e+00 - 0 874 876 873 0 >> 249 2.863 8.848 38.688 0 U -9.355e+02 0.00e+00 - 0 342 337 340 0 >> 250 2.872 7.758 38.600 0 U -8.209e+02 0.00e+00 - 0 342 1049 340 0 >> 251 2.862 7.491 38.632 0 U -2.269e+03 0.00e+00 - 0 342 971 340 0 >> 252 2.876 4.848 38.743 0 U -2.053e+03 0.00e+00 - 0 342 339 340 0 >> 253 2.867 3.615 38.686 0 U -1.175e+04 0.00e+00 - 0 342 341 340 0 >> 254 2.868 1.151 38.667 0 U -2.025e+03 0.00e+00 - 0 342 894 340 0 >> 255 2.875 0.755 38.627 0 U -1.301e+03 0.00e+00 - 0 342 893 340 0 >> 256 3.617 8.834 38.715 0 U -6.935e+02 0.00e+00 - 0 341 337 340 0 >> 257 3.621 7.491 38.742 0 U -1.353e+03 0.00e+00 - 0 341 971 340 0 >> 258 3.613 4.854 38.657 0 U -2.136e+03 0.00e+00 - 0 341 339 340 0 >> 259 3.623 2.858 38.686 0 U -1.194e+04 0.00e+00 - 0 341 342 340 0 >> 260 3.621 1.149 38.764 0 U -1.153e+03 0.00e+00 - 0 341 894 340 0 >> 261 4.855 3.608 50.682 0 U 5.640e+03 0.00e+00 - 0 339 341 338 0 >> 262 4.847 2.857 50.580 0 U 6.548e+03 0.00e+00 - 0 339 342 338 0 >> 263 1.457 7.665 18.157 0 U -2.274e+03 0.00e+00 - 0 353 356 352 0 >> 264 1.458 4.310 18.161 0 U -8.402e+02 0.00e+00 - 0 353 358 352 0 >> 265 1.458 4.091 18.164 0 U -1.483e+04 0.00e+00 - 0 353 351 352 0 >> 266 1.444 1.148 18.951 0 U -7.283e+03 0.00e+00 - 0 164 894 163 0 >> 267 4.103 7.662 54.958 0 U 1.394e+03 0.00e+00 - 0 351 356 350 0 >> 268 4.098 1.451 54.911 0 U 1.445e+04 0.00e+00 - 0 351 353 350 0 >> 269 2.015 7.662 29.190 0 U -2.152e+03 0.00e+00 - 0 361 356 359 0 >> 270 2.015 4.312 29.202 0 U -1.654e+03 0.00e+00 - 0 361 358 359 0 >> 271 2.184 7.666 37.127 0 U -8.149e+02 0.00e+00 - 0 880 356 878 0 >> 272 2.193 4.317 37.074 0 U -2.587e+03 0.00e+00 - 0 880 358 878 0 >> 273 2.191 2.330 37.080 0 U -4.979e+04 0.00e+00 - 0 880 879 878 0 >> 274 2.200 2.195 37.054 0 U -5.094e+04 0.00e+00 - 0 0 0 0 0 >> 275 2.193 2.019 37.079 0 U -7.188e+03 0.00e+00 - 0 880 361 878 0 >> 276 2.344 7.666 37.142 0 U -9.710e+02 0.00e+00 - 0 879 356 878 0 >> 277 2.343 4.314 37.109 0 U -2.474e+03 0.00e+00 - 0 879 358 878 0 >> 278 2.340 2.330 37.073 0 U -5.153e+04 0.00e+00 - 0 879 879 878 0 >> 279 2.343 2.194 37.071 0 U -4.676e+04 0.00e+00 - 0 0 0 0 0 >> 280 2.344 2.016 37.078 0 U -7.382e+03 0.00e+00 - 0 879 361 878 0 >> 281 2.238 7.660 29.230 0 U -1.048e+03 0.00e+00 - 0 360 356 359 0 >> 282 2.237 4.318 29.218 0 U -2.972e+03 0.00e+00 - 0 360 358 359 0 >> 283 2.229 2.212 29.211 0 U -3.370e+04 0.00e+00 - 0 0 0 0 0 >> 284 2.237 2.008 29.214 0 U -1.972e+04 0.00e+00 - 0 360 361 359 0 >> 285 4.326 8.193 56.634 0 U 1.131e+03 0.00e+00 - 0 358 368 357 0 >> 286 4.328 7.975 56.082 0 U 1.755e+03 0.00e+00 - 0 791 812 790 0 >> 287 4.324 7.659 56.605 0 U 1.776e+03 0.00e+00 - 0 358 356 357 0 >> 288 4.322 2.212 56.619 0 U 7.751e+03 0.00e+00 - 0 0 0 0 0 >> 289 4.315 2.019 56.611 0 U 3.366e+03 0.00e+00 - 0 0 0 0 0 >> 290 4.302 1.950 56.580 0 U 2.669e+03 0.00e+00 - 0 692 694 691 0 >> 291 3.602 8.187 45.272 0 U -4.629e+03 0.00e+00 - 0 371 368 369 0 >> 292 3.602 4.266 45.260 0 U -2.082e+04 0.00e+00 - 0 371 370 369 0 >> 293 3.596 1.617 45.252 0 U -1.840e+03 0.00e+00 - 0 0 0 0 0 >> 294 4.271 8.189 45.265 0 U -2.579e+03 0.00e+00 - 0 370 368 369 0 >> 295 4.273 3.594 45.257 0 U -1.996e+04 0.00e+00 - 0 370 371 369 0 >> 296 2.060 8.244 29.219 0 U -1.363e+03 0.00e+00 - 0 882 374 377 0 >> 297 2.058 7.755 29.226 0 U -1.355e+03 0.00e+00 - 0 882 1049 377 0 >> 298 2.060 4.618 29.247 0 U -1.752e+03 0.00e+00 - 0 882 1021 377 0 >> 299 2.058 3.789 29.207 0 U -2.059e+03 0.00e+00 - 0 882 890 377 0 >> 300 2.013 2.207 29.220 0 U -2.248e+04 0.00e+00 - 0 0 0 0 0 >> 301 1.994 2.112 29.258 0 U -7.066e+04 0.00e+00 - 0 726 727 725 0 >> 302 2.002 1.993 29.252 0 U -9.607e+04 0.00e+00 - 0 0 0 0 0 >> 303 2.058 1.942 30.244 0 U -8.299e+04 0.00e+00 - 0 695 694 693 0 >> 304 2.053 1.438 29.210 0 U -2.121e+03 0.00e+00 - 0 882 164 377 0 >> 305 2.112 8.244 36.103 0 U -1.588e+03 0.00e+00 - 0 885 374 883 0 >> 306 2.111 7.757 35.971 0 U -7.607e+02 0.00e+00 - 0 885 1049 883 0 >> 307 2.111 4.616 36.049 0 U -1.806e+03 0.00e+00 - 0 885 1021 883 0 >> 308 2.111 3.797 36.024 0 U -9.483e+02 0.00e+00 - 0 885 890 883 0 >> 309 2.113 2.242 36.035 0 U -2.690e+04 0.00e+00 - 0 885 884 883 0 >> 310 2.115 1.890 36.025 0 U -5.149e+03 0.00e+00 - 0 885 881 883 0 >> 311 2.106 1.439 35.810 0 U -8.540e+02 0.00e+00 - 0 885 164 883 0 >> 312 2.253 8.241 35.998 0 U -1.789e+03 0.00e+00 - 0 884 374 883 0 >> 313 2.257 4.617 35.964 0 U -1.809e+03 0.00e+00 - 0 884 1021 883 0 >> 314 2.255 3.799 35.945 0 U -1.052e+03 0.00e+00 - 0 884 890 883 0 >> 315 2.258 2.105 36.041 0 U -3.313e+04 0.00e+00 - 0 0 0 0 0 >> 316 2.262 1.906 36.051 0 U -5.856e+03 0.00e+00 - 0 0 0 0 0 >> 317 1.893 8.238 29.195 0 U -1.482e+03 0.00e+00 - 0 881 374 377 0 >> 318 1.894 7.760 29.256 0 U -1.719e+03 0.00e+00 - 0 881 1049 377 0 >> 319 1.895 4.617 29.220 0 U -1.522e+03 0.00e+00 - 0 881 1021 377 0 >> 320 1.895 3.797 29.328 0 U -1.468e+03 0.00e+00 - 0 881 890 377 0 >> 321 1.894 2.243 29.249 0 U -3.292e+03 0.00e+00 - 0 881 884 377 0 >> 322 1.896 2.060 29.222 0 U -1.207e+04 0.00e+00 - 0 881 882 377 0 >> 323 1.899 1.442 29.237 0 U -1.357e+03 0.00e+00 - 0 881 164 377 0 >> 324 4.624 3.789 53.489 0 U 1.126e+04 0.00e+00 - 0 1021 890 817 0 >> 325 4.624 2.077 53.489 0 U 4.903e+03 0.00e+00 - 0 0 0 0 0 >> 326 1.885 8.498 32.009 0 U -8.660e+02 0.00e+00 - 0 391 399 389 0 >> 327 1.932 7.784 32.284 0 U -5.085e+03 0.00e+00 - 0 0 0 0 0 >> 328 1.887 7.312 32.087 0 U -7.617e+02 0.00e+00 - 0 391 995 389 0 >> 329 1.887 5.003 32.030 0 U -3.008e+03 0.00e+00 - 0 391 388 389 0 >> 330 1.949 4.025 32.296 0 U -4.919e+03 0.00e+00 - 0 0 0 0 0 >> 331 1.887 3.793 32.008 0 U -1.375e+03 0.00e+00 - 0 391 890 389 0 >> 332 1.883 2.191 32.056 0 U -5.374e+03 0.00e+00 - 0 0 0 0 0 >> 333 1.886 1.785 31.976 0 U -4.285e+04 0.00e+00 - 0 0 0 0 0 >> 334 1.887 0.253 31.969 0 U -1.017e+03 0.00e+00 - 0 391 845 389 0 >> 335 1.884 0.098 32.033 0 U -8.555e+02 0.00e+00 - 0 391 846 389 0 >> 336 1.773 5.001 27.580 0 U -1.168e+03 0.00e+00 - 0 889 388 886 0 >> 337 1.775 3.792 27.553 0 U -4.766e+03 0.00e+00 - 0 889 890 886 0 >> 338 1.775 2.250 27.551 0 U -1.367e+04 0.00e+00 - 0 889 888 886 0 >> 339 1.775 1.768 27.548 0 U -5.672e+04 0.00e+00 - 0 0 0 0 0 >> 340 1.774 0.269 27.571 0 U -1.528e+03 0.00e+00 - 0 889 845 886 0 >> 341 1.774 0.096 27.599 0 U -7.786e+02 0.00e+00 - 0 889 846 886 0 >> 342 3.800 4.618 50.237 0 U 1.284e+04 0.00e+00 - 0 890 1021 887 0 >> 343 3.801 2.249 50.226 0 U 6.338e+03 0.00e+00 - 0 0 0 0 0 >> 344 3.800 2.058 50.236 0 U 5.007e+03 0.00e+00 - 0 890 882 887 0 >> 345 3.800 1.773 50.216 0 U 5.831e+03 0.00e+00 - 0 0 0 0 0 >> 346 3.799 1.435 50.273 0 U 1.056e+03 0.00e+00 - 0 890 164 887 0 >> 347 1.798 8.514 32.058 0 U -1.110e+03 0.00e+00 - 0 390 399 389 0 >> 348 1.788 7.291 32.059 0 U -1.014e+03 0.00e+00 - 0 390 995 389 0 >> 349 1.791 5.004 32.028 0 U -3.641e+03 0.00e+00 - 0 390 388 389 0 >> 350 1.778 4.305 32.043 0 U -3.182e+03 0.00e+00 - 0 606 603 604 0 >> 351 1.789 3.789 32.003 0 U -1.452e+03 0.00e+00 - 0 390 890 389 0 >> 352 1.772 3.638 32.057 0 U -5.973e+02 0.00e+00 - 0 606 935 604 0 >> 353 1.784 2.903 32.006 0 U -9.795e+02 0.00e+00 - 0 606 936 604 0 >> 354 1.777 2.178 32.055 0 U -1.896e+04 0.00e+00 - 0 606 605 604 0 >> 355 1.790 0.262 32.019 0 U -9.083e+02 0.00e+00 - 0 0 0 0 0 >> 356 1.793 0.096 32.041 0 U -1.103e+03 0.00e+00 - 0 390 846 389 0 >> 357 5.010 8.508 62.722 0 U 1.118e+04 0.00e+00 - 0 388 399 387 0 >> 358 5.009 5.367 62.776 0 U 3.716e+03 0.00e+00 - 0 388 316 387 0 >> 359 5.008 3.019 62.686 0 U 2.460e+03 0.00e+00 - 0 388 876 387 0 >> 360 5.009 1.876 62.724 0 U 5.168e+03 0.00e+00 - 0 388 391 387 0 >> 361 5.011 1.783 62.731 0 U 4.309e+03 0.00e+00 - 0 0 0 0 0 >> 362 2.256 4.995 27.558 0 U -6.925e+02 0.00e+00 - 0 888 388 886 0 >> 363 2.257 3.793 27.547 0 U -5.832e+03 0.00e+00 - 0 888 890 886 0 >> 364 2.258 1.770 27.543 0 U -1.668e+04 0.00e+00 - 0 0 0 0 0 >> 365 2.259 0.266 27.484 0 U -1.347e+03 0.00e+00 - 0 888 845 886 0 >> 366 2.256 0.102 27.612 0 U -7.243e+02 0.00e+00 - 0 888 846 886 0 >> 367 0.751 9.297 19.144 0 U -1.488e+03 0.00e+00 - 0 893 447 891 0 >> 368 0.751 8.506 19.190 0 U -4.101e+03 0.00e+00 - 0 893 399 891 0 >> 369 0.752 5.731 19.207 0 U -1.351e+03 0.00e+00 - 0 893 401 891 0 >> 370 0.752 5.363 19.181 0 U -1.897e+03 0.00e+00 - 0 893 316 891 0 >> 371 0.749 4.997 19.112 0 U -1.231e+03 0.00e+00 - 0 893 388 891 0 >> 372 0.752 3.910 19.168 0 U -3.064e+03 0.00e+00 - 0 893 449 891 0 >> 373 0.751 3.520 19.163 0 U -2.912e+03 0.00e+00 - 0 893 450 891 0 >> 374 0.755 2.859 19.143 0 U -1.217e+03 0.00e+00 - 0 893 342 891 0 >> 375 0.751 2.229 19.166 0 U -6.965e+03 0.00e+00 - 0 893 403 891 0 >> 376 0.752 2.030 19.116 0 U -1.413e+03 0.00e+00 - 0 893 295 891 0 >> 377 0.751 1.414 19.177 0 U -4.067e+03 0.00e+00 - 0 0 0 0 0 >> 378 0.751 1.149 19.176 0 U -8.669e+03 0.00e+00 - 0 893 894 891 0 >> 379 2.235 9.808 36.804 0 U -1.911e+03 0.00e+00 - 0 403 410 402 0 >> 380 2.234 9.294 36.797 0 U -7.467e+02 0.00e+00 - 0 0 0 0 0 >> 381 2.238 5.730 36.824 0 U -2.799e+03 0.00e+00 - 0 403 401 402 0 >> 382 2.241 3.293 36.719 0 U -1.026e+03 0.00e+00 - 0 403 443 402 0 >> 383 2.237 3.135 36.814 0 U -1.678e+03 0.00e+00 - 0 403 896 402 0 >> 384 2.237 1.150 36.800 0 U -3.902e+03 0.00e+00 - 0 403 894 402 0 >> 385 2.238 0.745 36.776 0 U -4.737e+03 0.00e+00 - 0 403 893 402 0 >> 386 5.742 9.812 58.777 0 U 3.710e+03 0.00e+00 - 0 401 410 400 0 >> 387 5.737 9.551 58.828 0 U 1.491e+03 0.00e+00 - 0 401 160 400 0 >> 388 5.745 8.511 58.756 0 U 1.330e+03 0.00e+00 - 0 401 399 400 0 >> 389 5.740 4.431 58.718 0 U 2.893e+03 0.00e+00 - 0 401 153 400 0 >> 390 5.738 2.229 58.758 0 U 2.156e+03 0.00e+00 - 0 401 403 400 0 >> 391 5.741 1.151 58.749 0 U 2.993e+03 0.00e+00 - 0 401 894 400 0 >> 392 1.156 9.558 23.125 0 U -1.820e+03 0.00e+00 - 0 894 160 892 0 >> 393 1.158 9.075 23.095 0 U -1.460e+03 0.00e+00 - 0 894 167 892 0 >> 394 1.156 8.842 23.106 0 U -8.109e+02 0.00e+00 - 0 894 337 892 0 >> 395 1.155 8.522 23.155 0 U -1.043e+03 0.00e+00 - 0 894 399 892 0 >> 396 1.159 7.771 23.154 0 U -7.958e+02 0.00e+00 - 0 894 1049 892 0 >> 397 1.158 7.491 23.139 0 U -1.099e+03 0.00e+00 - 0 894 971 892 0 >> 398 1.159 5.737 23.078 0 U -3.458e+03 0.00e+00 - 0 894 401 892 0 >> 399 1.157 2.860 23.056 0 U -2.755e+03 0.00e+00 - 0 894 342 892 0 >> 400 1.157 2.228 23.075 0 U -5.310e+03 0.00e+00 - 0 894 403 892 0 >> 401 1.157 1.439 23.090 0 U -4.766e+03 0.00e+00 - 0 0 0 0 0 >> 402 1.158 0.746 23.111 0 U -8.294e+03 0.00e+00 - 0 894 893 892 0 >> 403 2.988 7.844 31.108 0 U -1.273e+03 0.00e+00 - 0 415 419 413 0 >> 404 2.990 3.707 31.048 0 U -2.028e+03 0.00e+00 - 0 415 857 413 0 >> 405 2.466 9.816 31.044 0 U -1.063e+03 0.00e+00 - 0 895 410 413 0 >> 406 2.465 4.219 31.049 0 U -2.124e+03 0.00e+00 - 0 895 412 413 0 >> 407 2.464 3.704 30.984 0 U -1.006e+03 0.00e+00 - 0 895 857 413 0 >> 408 2.462 2.985 31.063 0 U -7.737e+03 0.00e+00 - 0 895 415 413 0 >> 409 2.462 1.172 31.045 0 U -2.309e+03 0.00e+00 - 0 895 851 413 0 >> 410 4.226 9.826 57.943 0 U 1.111e+03 0.00e+00 - 0 412 410 411 0 >> 411 4.223 7.839 57.936 0 U 2.210e+03 0.00e+00 - 0 412 419 411 0 >> 412 4.223 4.631 57.932 0 U 1.370e+03 0.00e+00 - 0 412 269 411 0 >> 413 4.224 2.985 57.972 0 U 3.784e+03 0.00e+00 - 0 412 415 411 0 >> 414 4.225 2.455 57.968 0 U 2.914e+03 0.00e+00 - 0 412 895 411 0 >> 415 4.226 -0.762 57.929 0 U 2.154e+03 0.00e+00 - 0 412 859 411 0 >> 416 3.230 8.166 39.491 0 U -1.050e+03 0.00e+00 - 0 424 431 422 0 >> 417 3.211 7.834 39.744 0 U -7.533e+03 0.00e+00 - 0 0 0 0 0 >> 418 3.209 7.321 39.757 0 U -4.957e+03 0.00e+00 - 0 471 983 470 0 >> 419 3.213 4.063 39.707 0 U -3.596e+03 0.00e+00 - 0 0 0 0 0 >> 420 3.236 2.702 39.486 0 U -8.010e+03 0.00e+00 - 0 424 423 422 0 >> 421 3.235 1.446 39.461 0 U -1.860e+03 0.00e+00 - 0 424 257 422 0 >> 422 3.209 1.142 39.730 0 U -1.999e+03 0.00e+00 - 0 471 1009 470 0 >> 423 2.706 8.165 39.459 0 U -1.860e+03 0.00e+00 - 0 423 431 422 0 >> 424 2.715 7.840 39.500 0 U -1.217e+03 0.00e+00 - 0 423 419 422 0 >> 425 2.712 4.082 39.400 0 U -1.610e+03 0.00e+00 - 0 423 421 422 0 >> 426 2.705 1.436 39.421 0 U -1.315e+03 0.00e+00 - 0 423 257 422 0 >> 427 4.065 8.732 57.700 0 U 2.458e+03 0.00e+00 - 0 0 0 0 0 >> 428 4.072 7.815 57.736 0 U 2.194e+03 0.00e+00 - 0 0 0 0 0 >> 429 4.083 3.233 57.605 0 U 2.723e+03 0.00e+00 - 0 0 0 0 0 >> 430 4.084 3.074 57.607 0 U 2.079e+03 0.00e+00 - 0 421 872 420 0 >> 431 4.086 2.697 57.681 0 U 1.254e+03 0.00e+00 - 0 421 423 420 0 >> 432 4.061 1.939 57.762 0 U 3.491e+03 0.00e+00 - 0 0 0 0 0 >> 433 4.064 1.760 57.736 0 U 2.881e+03 0.00e+00 - 0 455 457 454 0 >> 434 4.066 1.648 57.763 0 U 2.443e+03 0.00e+00 - 0 0 0 0 0 >> 435 4.068 1.503 57.717 0 U 4.756e+03 0.00e+00 - 0 455 458 454 0 >> 436 4.062 0.831 57.752 0 U 6.481e+03 0.00e+00 - 0 0 0 0 0 >> 437 1.514 9.273 18.368 0 U -3.857e+03 0.00e+00 - 0 435 438 434 0 >> 438 1.514 8.167 18.380 0 U -8.203e+03 0.00e+00 - 0 435 431 434 0 >> 439 1.514 4.127 18.412 0 U -1.382e+04 0.00e+00 - 0 435 433 434 0 >> 440 4.138 8.166 55.565 0 U 2.491e+03 0.00e+00 - 0 433 431 432 0 >> 441 4.138 1.759 55.612 0 U 1.793e+03 0.00e+00 - 0 433 457 432 0 >> 442 4.135 1.505 55.497 0 U 1.137e+04 0.00e+00 - 0 0 0 0 0 >> 443 4.138 0.838 55.556 0 U 1.449e+03 0.00e+00 - 0 0 0 0 0 >> 444 3.303 9.279 28.921 0 U -1.747e+03 0.00e+00 - 0 0 0 0 0 >> 445 3.304 4.003 28.824 0 U -1.065e+03 0.00e+00 - 0 443 440 441 0 >> 446 3.299 3.290 28.931 0 U -1.281e+04 0.00e+00 - 0 443 443 441 0 >> 447 3.300 3.140 28.936 0 U -1.085e+04 0.00e+00 - 0 443 896 441 0 >> 448 3.300 2.224 28.907 0 U -1.025e+03 0.00e+00 - 0 443 403 441 0 >> 449 3.300 1.149 28.849 0 U -7.537e+02 0.00e+00 - 0 0 0 0 0 >> 450 3.146 9.277 28.943 0 U -2.871e+03 0.00e+00 - 0 0 0 0 0 >> 451 3.136 4.005 28.950 0 U -9.852e+02 0.00e+00 - 0 896 440 441 0 >> 452 3.147 3.289 28.942 0 U -1.057e+04 0.00e+00 - 0 896 443 441 0 >> 453 3.145 2.229 28.900 0 U -1.709e+03 0.00e+00 - 0 896 403 441 0 >> 454 3.148 1.152 28.924 0 U -8.571e+02 0.00e+00 - 0 896 894 441 0 >> 455 3.139 0.740 28.875 0 U -6.774e+02 0.00e+00 - 0 896 893 441 0 >> 456 4.013 9.279 65.506 0 U 1.567e+03 0.00e+00 - 0 0 0 0 0 >> 457 4.013 3.273 65.505 0 U 2.386e+03 0.00e+00 - 0 0 0 0 0 >> 458 4.014 3.186 65.456 0 U 2.377e+03 0.00e+00 - 0 0 0 0 0 >> 459 4.013 2.869 65.436 0 U 9.506e+02 0.00e+00 - 0 440 1016 439 0 >> 460 4.017 1.680 65.392 0 U 7.336e+02 0.00e+00 - 0 440 1015 439 0 >> 461 4.015 1.139 65.485 0 U 1.818e+03 0.00e+00 - 0 440 1009 439 0 >> 462 3.523 9.298 47.479 0 U -2.968e+03 0.00e+00 - 0 450 447 448 0 >> 463 3.533 8.730 47.418 0 U -1.008e+03 0.00e+00 - 0 450 453 448 0 >> 464 3.525 3.911 47.446 0 U -1.416e+04 0.00e+00 - 0 450 449 448 0 >> 465 3.532 3.072 47.443 0 U -8.943e+02 0.00e+00 - 0 450 872 448 0 >> 466 3.521 0.744 47.489 0 U -1.749e+03 0.00e+00 - 0 450 893 448 0 >> 467 3.917 9.299 47.432 0 U -2.795e+03 0.00e+00 - 0 449 447 448 0 >> 468 3.920 8.732 47.474 0 U -1.173e+03 0.00e+00 - 0 449 453 448 0 >> 469 3.917 3.518 47.440 0 U -1.538e+04 0.00e+00 - 0 449 450 448 0 >> 470 3.914 3.058 47.594 0 U -1.188e+03 0.00e+00 - 0 449 872 448 0 >> 471 3.917 2.225 47.498 0 U -1.031e+03 0.00e+00 - 0 0 0 0 0 >> 472 3.916 0.740 47.448 0 U -2.411e+03 0.00e+00 - 0 449 893 448 0 >> 473 0.837 8.744 23.146 0 U -9.880e+02 0.00e+00 - 0 900 453 897 0 >> 474 0.837 4.056 23.069 0 U -7.862e+03 0.00e+00 - 0 900 455 897 0 >> 475 0.836 1.653 23.081 0 U -6.296e+03 0.00e+00 - 0 900 902 897 0 >> 476 0.836 1.513 23.073 0 U -4.905e+03 0.00e+00 - 0 900 458 897 0 >> 477 1.662 8.739 26.829 0 U -1.877e+03 0.00e+00 - 0 0 0 0 0 >> 478 1.675 8.265 26.725 0 U -1.261e+03 0.00e+00 - 0 942 614 939 0 >> 479 1.659 4.066 26.913 0 U -1.287e+03 0.00e+00 - 0 902 455 899 0 >> 480 1.673 0.721 26.776 0 U -3.048e+03 0.00e+00 - 0 942 940 939 0 >> 481 1.770 8.733 41.813 0 U -3.233e+03 0.00e+00 - 0 457 453 456 0 >> 482 1.765 7.834 41.826 0 U -1.191e+03 0.00e+00 - 0 457 467 456 0 >> 483 1.772 4.065 41.732 0 U -2.368e+03 0.00e+00 - 0 457 455 456 0 >> 484 1.772 1.764 41.780 0 U -3.440e+04 0.00e+00 - 0 457 457 456 0 >> 485 1.775 1.511 41.785 0 U -1.891e+04 0.00e+00 - 0 457 458 456 0 >> 486 1.773 0.836 41.777 0 U -4.192e+03 0.00e+00 - 0 0 0 0 0 >> 487 0.849 4.057 24.804 0 U -2.447e+03 0.00e+00 - 0 901 455 898 0 >> 488 0.847 1.756 24.790 0 U -4.137e+03 0.00e+00 - 0 901 457 898 0 >> 489 0.848 1.652 24.820 0 U -4.450e+03 0.00e+00 - 0 901 902 898 0 >> 490 0.856 1.515 24.875 0 U -3.100e+03 0.00e+00 - 0 0 0 0 0 >> 491 1.516 8.736 41.789 0 U -2.172e+03 0.00e+00 - 0 458 453 456 0 >> 492 1.512 8.272 42.366 0 U -1.383e+03 0.00e+00 - 0 618 614 617 0 >> 493 1.513 7.824 41.727 0 U -9.298e+02 0.00e+00 - 0 458 467 456 0 >> 494 1.510 4.276 42.332 0 U -2.408e+03 0.00e+00 - 0 618 616 617 0 >> 495 1.519 4.061 41.776 0 U -2.944e+03 0.00e+00 - 0 458 455 456 0 >> 496 1.517 1.762 41.789 0 U -1.989e+04 0.00e+00 - 0 458 457 456 0 >> 497 1.517 0.842 41.938 0 U -6.501e+03 0.00e+00 - 0 0 0 0 0 >> 498 1.517 0.710 42.249 0 U -1.419e+03 0.00e+00 - 0 618 940 617 0 >> 499 4.079 7.828 62.186 0 U 3.106e+03 0.00e+00 - 0 0 0 0 0 >> 500 4.076 7.324 62.242 0 U 1.336e+03 0.00e+00 - 0 469 983 468 0 >> 501 4.079 5.507 62.226 0 U 1.708e+03 0.00e+00 - 0 469 998 468 0 >> 502 4.080 3.203 62.208 0 U 3.670e+03 0.00e+00 - 0 469 471 468 0 >> 503 4.080 1.301 62.215 0 U 8.191e+02 0.00e+00 - 0 469 916 468 0 >> 504 4.077 0.873 62.272 0 U 9.609e+02 0.00e+00 - 0 0 0 0 0 >> 505 3.207 8.746 39.621 0 U -8.039e+02 0.00e+00 - 0 0 0 0 0 >> 506 2.221 7.838 31.784 0 U -1.415e+03 0.00e+00 - 0 0 0 0 0 >> 507 2.242 4.529 31.780 0 U -1.590e+03 0.00e+00 - 0 490 488 489 0 >> 508 2.185 4.303 32.045 0 U -5.792e+03 0.00e+00 - 0 605 603 604 0 >> 509 2.186 1.890 32.087 0 U -1.241e+04 0.00e+00 - 0 0 0 0 0 >> 510 2.186 1.756 32.074 0 U -3.459e+04 0.00e+00 - 0 0 0 0 0 >> 511 2.419 2.484 31.744 0 U -1.125e+05 0.00e+00 - 0 1056 1055 1054 0 >> 512 2.439 2.225 32.111 0 U -7.408e+03 0.00e+00 - 0 0 0 0 0 >> 513 2.427 2.036 32.401 0 U -2.944e+03 0.00e+00 - 0 904 1001 903 0 >> 514 2.044 4.748 17.397 0 U -2.384e+03 0.00e+00 - 0 1001 923 1002 0 >> 515 2.043 4.607 17.369 0 U -2.128e+03 0.00e+00 - 0 1001 567 1002 0 >> 516 2.043 3.747 17.385 0 U -3.016e+03 0.00e+00 - 0 1001 930 1002 0 >> 517 2.044 3.630 17.383 0 U -1.172e+03 0.00e+00 - 0 1001 1008 1002 0 >> 518 2.045 2.419 17.372 0 U -1.720e+03 0.00e+00 - 0 1001 904 1002 0 >> 519 2.047 2.326 17.416 0 U -1.080e+03 0.00e+00 - 0 1001 1003 1002 0 >> 520 2.044 1.733 17.378 0 U -1.857e+03 0.00e+00 - 0 1001 928 1002 0 >> 521 4.532 7.827 57.720 0 U 2.599e+03 0.00e+00 - 0 0 0 0 0 >> 522 4.534 7.359 57.673 0 U 2.776e+03 0.00e+00 - 0 0 0 0 0 >> 523 4.532 2.216 57.668 0 U 5.062e+03 0.00e+00 - 0 0 0 0 0 >> 524 2.798 4.519 32.259 0 U -7.497e+02 0.00e+00 - 0 905 488 903 0 >> 525 2.804 2.430 32.210 0 U -1.232e+04 0.00e+00 - 0 905 904 903 0 >> 526 2.805 2.225 32.118 0 U -5.913e+03 0.00e+00 - 0 0 0 0 0 >> 527 4.021 7.788 58.868 0 U 3.675e+03 0.00e+00 - 0 0 0 0 0 >> 528 4.020 1.933 58.890 0 U 6.178e+03 0.00e+00 - 0 0 0 0 0 >> 529 4.019 1.628 58.947 0 U 7.616e+02 0.00e+00 - 0 501 911 500 0 >> 530 4.021 1.499 58.889 0 U 2.101e+03 0.00e+00 - 0 501 908 500 0 >> 531 4.020 1.393 58.938 0 U 1.292e+03 0.00e+00 - 0 501 909 500 0 >> 532 1.956 1.500 32.293 0 U -2.089e+03 0.00e+00 - 0 503 908 502 0 >> 533 1.937 1.402 32.371 0 U -1.775e+03 0.00e+00 - 0 0 0 0 0 >> 534 1.401 4.024 24.592 0 U -1.606e+03 0.00e+00 - 0 909 501 906 0 >> 535 1.405 1.925 24.573 0 U -2.275e+03 0.00e+00 - 0 0 0 0 0 >> 536 1.402 1.663 24.635 0 U -3.112e+04 0.00e+00 - 0 0 0 0 0 >> 537 2.997 1.673 42.025 0 U -3.199e+04 0.00e+00 - 0 0 0 0 0 >> 538 2.980 1.504 41.942 0 U -2.087e+03 0.00e+00 - 0 912 908 511 0 >> 539 2.979 1.403 41.874 0 U -1.455e+03 0.00e+00 - 0 0 0 0 0 >> 540 1.680 2.987 29.005 0 U -2.430e+04 0.00e+00 - 0 0 0 0 0 >> 541 1.682 1.895 29.026 0 U -3.450e+03 0.00e+00 - 0 1062 1061 907 0 >> 542 1.679 1.670 29.025 0 U -1.114e+06 0.00e+00 - 0 0 0 0 0 >> 543 1.954 4.410 32.717 0 U -1.697e+03 0.00e+00 - 0 640 637 638 0 >> 544 1.509 4.023 24.579 0 U -1.397e+03 0.00e+00 - 0 908 501 906 0 >> 545 1.499 2.964 24.655 0 U -7.846e+02 0.00e+00 - 0 908 912 906 0 >> 546 1.509 1.932 24.587 0 U -1.854e+03 0.00e+00 - 0 0 0 0 0 >> 547 1.503 1.407 24.616 0 U -6.299e+04 0.00e+00 - 0 908 909 906 0 >> 548 1.624 2.961 29.095 0 U -1.638e+03 0.00e+00 - 0 911 912 907 0 >> 549 0.652 4.027 23.396 0 U -5.187e+03 0.00e+00 - 0 918 520 913 0 >> 550 0.652 1.285 23.378 0 U -1.833e+03 0.00e+00 - 0 918 916 913 0 >> 551 0.652 0.867 23.370 0 U -5.294e+03 0.00e+00 - 0 918 917 913 0 >> 552 1.166 7.772 26.481 0 U -1.809e+03 0.00e+00 - 0 920 518 915 0 >> 553 1.173 4.038 26.426 0 U -9.142e+02 0.00e+00 - 0 0 0 0 0 >> 554 1.171 0.884 26.727 0 U -4.016e+03 0.00e+00 - 0 920 917 915 0 >> 555 1.164 0.695 26.629 0 U -2.292e+03 0.00e+00 - 0 0 0 0 0 >> 556 0.892 8.362 42.485 0 U -7.697e+02 0.00e+00 - 0 917 532 521 0 >> 557 0.897 7.773 42.419 0 U -2.329e+03 0.00e+00 - 0 917 518 521 0 >> 558 0.897 4.029 42.441 0 U -2.852e+03 0.00e+00 - 0 917 520 521 0 >> 559 0.897 1.292 42.417 0 U -1.587e+04 0.00e+00 - 0 917 916 521 0 >> 560 0.898 1.168 42.402 0 U -4.034e+03 0.00e+00 - 0 917 920 521 0 >> 561 0.899 0.890 42.416 0 U -3.991e+04 0.00e+00 - 0 917 917 521 0 >> 562 0.903 0.664 42.396 0 U -2.570e+03 0.00e+00 - 0 917 918 521 0 >> 563 4.030 7.776 56.814 0 U 2.922e+03 0.00e+00 - 0 520 518 519 0 >> 564 4.030 1.292 56.781 0 U 3.469e+03 0.00e+00 - 0 520 916 519 0 >> 565 4.030 0.890 56.771 0 U 3.917e+03 0.00e+00 - 0 520 917 519 0 >> 566 4.031 0.653 56.771 0 U 4.290e+03 0.00e+00 - 0 520 918 519 0 >> 567 0.722 4.032 23.963 0 U -3.362e+03 0.00e+00 - 0 0 0 0 0 >> 568 0.723 1.289 23.988 0 U -2.910e+03 0.00e+00 - 0 919 916 914 0 >> 569 0.728 1.159 23.977 0 U -3.496e+03 0.00e+00 - 0 919 920 914 0 >> 570 1.298 8.373 42.371 0 U -1.137e+03 0.00e+00 - 0 916 532 521 0 >> 571 1.300 7.772 42.439 0 U -3.721e+03 0.00e+00 - 0 916 518 521 0 >> 572 1.299 4.032 42.401 0 U -3.458e+03 0.00e+00 - 0 0 0 0 0 >> 573 1.301 0.890 42.414 0 U -1.732e+04 0.00e+00 - 0 916 917 521 0 >> 574 1.299 0.707 42.441 0 U -2.666e+03 0.00e+00 - 0 916 919 521 0 >> 575 3.069 8.353 31.957 0 U -1.075e+03 0.00e+00 - 0 922 532 535 0 >> 576 3.066 6.584 32.182 0 U -9.227e+02 0.00e+00 - 0 922 985 535 0 >> 577 3.067 5.514 31.928 0 U -6.814e+02 0.00e+00 - 0 922 998 535 0 >> 578 3.066 4.650 31.972 0 U -1.883e+03 0.00e+00 - 0 922 534 535 0 >> 579 3.068 2.686 31.969 0 U -1.536e+04 0.00e+00 - 0 922 921 535 0 >> 580 3.068 0.903 31.985 0 U -2.303e+03 0.00e+00 - 0 922 1006 535 0 >> 581 2.693 8.363 31.831 0 U -1.237e+03 0.00e+00 - 0 921 532 535 0 >> 582 2.695 7.349 31.916 0 U -1.043e+03 0.00e+00 - 0 0 0 0 0 >> 583 2.693 6.593 31.963 0 U -8.500e+02 0.00e+00 - 0 921 985 535 0 >> 584 2.691 4.647 31.999 0 U -8.370e+02 0.00e+00 - 0 921 534 535 0 >> 585 2.693 3.059 31.969 0 U -1.213e+04 0.00e+00 - 0 921 922 535 0 >> 586 2.696 0.900 32.017 0 U -1.669e+03 0.00e+00 - 0 921 1006 535 0 >> 587 4.148 8.523 46.082 0 U -2.059e+03 0.00e+00 - 0 551 548 549 0 >> 588 4.150 7.359 46.190 0 U -8.530e+02 0.00e+00 - 0 551 554 549 0 >> 590 4.150 3.923 46.066 0 U -1.695e+04 0.00e+00 - 0 551 550 549 0 >> 591 4.153 1.010 46.153 0 U -8.591e+02 0.00e+00 - 0 551 1007 549 0 >> 592 3.927 8.526 46.060 0 U -2.079e+03 0.00e+00 - 0 550 548 549 0 >> 593 3.933 7.365 46.035 0 U -8.370e+02 0.00e+00 - 0 550 554 549 0 >> 594 3.929 4.139 46.071 0 U -1.936e+04 0.00e+00 - 0 550 551 549 0 >> 595 0.911 7.355 18.619 0 U -6.146e+03 0.00e+00 - 0 0 0 0 0 >> 596 0.911 6.595 18.628 0 U -6.073e+03 0.00e+00 - 0 1006 985 1004 0 >> 597 0.910 4.758 18.634 0 U -2.005e+03 0.00e+00 - 0 1006 923 1004 0 >> 598 0.910 3.752 18.481 0 U -8.951e+02 0.00e+00 - 0 1006 930 1004 0 >> 599 0.911 3.632 18.556 0 U -1.751e+03 0.00e+00 - 0 1006 1008 1004 0 >> 600 0.912 3.060 18.628 0 U -3.386e+03 0.00e+00 - 0 1006 922 1004 0 >> 601 0.910 2.682 18.626 0 U -2.136e+03 0.00e+00 - 0 1006 921 1004 0 >> 602 0.911 2.317 18.614 0 U -1.091e+04 0.00e+00 - 0 1006 1003 1004 0 >> 603 2.324 4.751 33.447 0 U -4.459e+03 0.00e+00 - 0 1003 923 819 0 >> 604 2.323 3.744 33.414 0 U -2.986e+03 0.00e+00 - 0 1003 930 819 0 >> 605 2.325 3.636 33.473 0 U -5.876e+03 0.00e+00 - 0 1003 1008 819 0 >> 606 2.324 1.021 33.471 0 U -7.245e+03 0.00e+00 - 0 1003 1007 819 0 >> 607 2.326 0.905 33.478 0 U -6.367e+03 0.00e+00 - 0 1003 1006 819 0 >> 608 1.030 7.357 22.025 0 U -1.377e+03 0.00e+00 - 0 1007 554 1005 0 >> 609 1.028 4.751 22.085 0 U -7.203e+03 0.00e+00 - 0 1007 923 1005 0 >> 610 1.027 3.748 22.061 0 U -1.573e+03 0.00e+00 - 0 1007 930 1005 0 >> 611 1.026 3.632 22.147 0 U -1.874e+03 0.00e+00 - 0 1007 1008 1005 0 >> 612 1.027 2.317 22.071 0 U -1.081e+04 0.00e+00 - 0 1007 1003 1005 0 >> 613 1.196 1.187 21.626 0 U -9.773e+05 0.00e+00 - 0 0 0 0 0 >> 614 1.735 8.747 32.220 0 U -8.675e+02 0.00e+00 - 0 928 27 568 0 >> 615 1.737 4.603 32.129 0 U -2.013e+03 0.00e+00 - 0 928 567 568 0 >> 616 1.740 3.762 32.164 0 U -9.150e+02 0.00e+00 - 0 928 930 568 0 >> 617 1.743 3.636 32.110 0 U -1.466e+03 0.00e+00 - 0 928 1008 568 0 >> 618 1.744 2.179 32.108 0 U -1.366e+04 0.00e+00 - 0 928 929 568 0 >> 619 1.926 3.747 27.594 0 U -2.642e+03 0.00e+00 - 0 927 930 924 0 >> 620 1.915 3.634 27.493 0 U -2.188e+03 0.00e+00 - 0 927 1008 924 0 >> 621 1.918 2.163 27.560 0 U -4.647e+03 0.00e+00 - 0 927 929 924 0 >> 622 3.640 4.748 50.397 0 U 5.166e+03 0.00e+00 - 0 1008 923 925 0 >> 623 3.642 3.748 50.351 0 U 2.598e+04 0.00e+00 - 0 1008 930 925 0 >> 624 3.642 3.635 50.346 0 U 3.770e+04 0.00e+00 - 0 1008 1008 925 0 >> 625 3.643 2.316 50.351 0 U 5.713e+03 0.00e+00 - 0 1008 1003 925 0 >> 626 3.642 2.007 50.330 0 U 3.198e+03 0.00e+00 - 0 0 0 0 0 >> 627 3.640 1.732 50.292 0 U 9.307e+02 0.00e+00 - 0 1008 928 925 0 >> 628 3.642 1.024 50.356 0 U 1.652e+03 0.00e+00 - 0 1008 1007 925 0 >> 629 3.755 4.752 50.370 0 U 8.121e+03 0.00e+00 - 0 930 923 925 0 >> 630 3.755 3.636 50.350 0 U 2.804e+04 0.00e+00 - 0 930 1008 925 0 >> 631 3.756 2.315 50.339 0 U 4.153e+03 0.00e+00 - 0 930 1003 925 0 >> 632 3.752 2.188 50.353 0 U 1.124e+03 0.00e+00 - 0 930 929 925 0 >> 633 3.757 2.012 50.349 0 U 3.393e+03 0.00e+00 - 0 0 0 0 0 >> 634 3.753 1.003 50.309 0 U 1.212e+03 0.00e+00 - 0 930 1007 925 0 >> 635 2.188 8.745 32.173 0 U -1.114e+03 0.00e+00 - 0 929 27 568 0 >> 636 2.188 4.605 32.125 0 U -4.187e+03 0.00e+00 - 0 929 567 568 0 >> 637 2.187 3.744 32.092 0 U -1.158e+03 0.00e+00 - 0 929 930 568 0 >> 638 2.185 3.635 32.096 0 U -1.872e+03 0.00e+00 - 0 0 0 0 0 >> 639 2.186 2.179 32.059 0 U -1.069e+05 0.00e+00 - 0 0 0 0 0 >> 640 4.615 8.747 61.642 0 U 7.204e+03 0.00e+00 - 0 567 27 566 0 >> 641 4.615 2.208 61.715 0 U 6.380e+03 0.00e+00 - 0 567 929 566 0 >> 642 2.010 4.605 27.588 0 U -8.801e+02 0.00e+00 - 0 926 567 924 0 >> 643 2.014 3.743 27.615 0 U -3.161e+03 0.00e+00 - 0 926 930 924 0 >> 644 2.013 3.634 27.609 0 U -3.273e+03 0.00e+00 - 0 926 1008 924 0 >> 645 2.014 2.167 27.622 0 U -6.907e+03 0.00e+00 - 0 926 929 924 0 >> 646 2.015 1.926 27.608 0 U -4.634e+04 0.00e+00 - 0 926 927 924 0 >> 647 2.015 1.738 27.592 0 U -7.384e+03 0.00e+00 - 0 926 928 924 0 >> 648 3.137 7.326 54.402 0 U 8.924e+02 0.00e+00 - 0 1010 983 28 0 >> 649 3.132 3.637 54.514 0 U 3.881e+03 0.00e+00 - 0 1010 935 28 0 >> 650 3.133 2.897 54.547 0 U 2.543e+03 0.00e+00 - 0 1010 936 28 0 >> 651 3.135 1.685 54.532 0 U 7.608e+02 0.00e+00 - 0 1010 1015 28 0 >> 652 3.140 1.176 54.522 0 U 1.188e+03 0.00e+00 - 0 1010 1009 28 0 >> 653 3.140 0.774 54.489 0 U 1.202e+03 0.00e+00 - 0 1010 1014 28 0 >> 654 1.691 8.729 32.817 0 U -1.953e+03 0.00e+00 - 0 0 0 0 0 >> 655 1.687 7.595 32.816 0 U -1.022e+03 0.00e+00 - 0 1015 970 30 0 >> 656 1.693 3.140 32.786 0 U -7.022e+02 0.00e+00 - 0 1015 1010 30 0 >> 657 1.688 1.140 32.839 0 U -5.579e+03 0.00e+00 - 0 1015 1009 30 0 >> 658 1.679 0.778 32.783 0 U -1.012e+03 0.00e+00 - 0 1015 1014 30 0 >> 659 0.795 3.234 27.232 0 U -1.326e+03 0.00e+00 - 0 0 0 0 0 >> 660 0.792 2.891 27.174 0 U -1.582e+03 0.00e+00 - 0 0 0 0 0 >> 661 0.788 1.240 27.210 0 U -6.241e+03 0.00e+00 - 0 1014 1013 1011 0 >> 662 2.889 7.331 43.966 0 U -8.179e+02 0.00e+00 - 0 1016 983 1012 0 >> 663 2.880 4.006 43.861 0 U 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2.265 30.256 0 U -9.799e+03 0.00e+00 - 0 694 953 693 0 >> 741 1.946 2.045 30.244 0 U -7.552e+04 0.00e+00 - 0 694 695 693 0 >> 743 0.903 4.143 17.375 0 U -2.317e+03 0.00e+00 - 0 958 710 957 0 >> 744 0.892 1.853 17.425 0 U -2.751e+03 0.00e+00 - 0 958 712 957 0 >> 745 0.902 1.189 17.432 0 U -2.224e+03 0.00e+00 - 0 958 961 957 0 >> 746 1.455 4.144 27.163 0 U -6.844e+02 0.00e+00 - 0 960 710 955 0 >> 748 1.455 1.179 27.255 0 U -3.418e+04 0.00e+00 - 0 960 961 955 0 >> 749 1.453 0.881 27.272 0 U -1.900e+03 0.00e+00 - 0 0 0 0 0 >> 750 1.182 1.443 27.253 0 U -3.100e+04 0.00e+00 - 0 961 960 955 0 >> 751 1.861 4.146 38.601 0 U -1.202e+03 0.00e+00 - 0 712 710 711 0 >> 752 1.868 0.884 38.566 0 U -2.221e+03 0.00e+00 - 0 0 0 0 0 >> 753 4.151 1.856 61.303 0 U 1.605e+03 0.00e+00 - 0 710 712 709 0 >> 754 4.149 1.182 61.277 0 U 1.395e+03 0.00e+00 - 0 710 961 709 0 >> 755 0.857 4.148 12.861 0 U -8.239e+02 0.00e+00 - 0 959 710 956 0 >> 756 0.861 1.159 12.890 0 U -5.398e+03 0.00e+00 - 0 959 961 956 0 >> 757 2.124 4.404 29.213 0 U -1.817e+03 0.00e+00 - 0 727 724 725 0 >> 758 2.122 2.363 29.277 0 U -4.056e+03 0.00e+00 - 0 727 963 725 0 >> 760 2.124 1.990 29.252 0 U -7.562e+04 0.00e+00 - 0 727 726 725 0 >> 761 2.382 4.402 33.694 0 U -8.430e+02 0.00e+00 - 0 963 724 962 0 >> 762 2.384 2.122 33.697 0 U -6.049e+03 0.00e+00 - 0 963 727 962 0 >> 763 1.200 4.190 21.603 0 U -5.683e+03 0.00e+00 - 0 965 741 964 0 >> 764 4.294 1.186 61.952 0 U 2.604e+03 0.00e+00 - 0 739 965 738 0 >> 765 1.861 4.335 30.710 0 U -5.495e+03 0.00e+00 - 0 752 749 750 0 >> 766 1.854 3.180 30.652 0 U -2.198e+03 0.00e+00 - 0 752 1067 750 0 >> 767 1.861 1.763 30.729 0 U -2.028e+05 0.00e+00 - 0 752 751 750 0 >> 768 1.859 1.625 30.720 0 U -4.537e+04 0.00e+00 - 0 0 0 0 0 >> 769 1.585 4.336 26.988 0 U -1.900e+03 0.00e+00 - 0 0 0 0 0 >> 770 1.584 3.179 26.977 0 U -5.943e+03 0.00e+00 - 0 0 0 0 0 >> 771 1.645 1.619 26.970 0 U -5.236e+05 0.00e+00 - 0 0 0 0 0 >> 772 3.190 4.327 43.284 0 U -1.743e+03 0.00e+00 - 0 0 0 0 0 >> 773 3.191 1.763 43.294 0 U -6.150e+03 0.00e+00 - 0 1067 751 756 0 >> 774 3.192 1.620 43.281 0 U -1.626e+04 0.00e+00 - 0 0 0 0 0 >> 775 4.119 7.970 57.713 0 U 9.235e+02 0.00e+00 - 0 1029 812 1025 0 >> 776 2.492 2.416 31.738 0 U -1.090e+05 0.00e+00 - 0 0 0 0 0 >> 777 3.860 4.396 63.600 0 U 2.901e+03 0.00e+00 - 0 833 58 59 0 >> 778 2.053 8.129 32.884 0 U -4.623e+02 0.00e+00 - 0 943 635 638 0 >> 779 0.912 4.125 20.979 0 U -2.420e+03 0.00e+00 - 0 841 113 840 0 >> 780 0.912 2.053 20.979 0 U -7.051e+03 0.00e+00 - 0 841 115 840 0 >> 781 0.918 2.053 20.229 0 U -5.266e+03 0.00e+00 - 0 838 115 839 0 >> 782 0.918 4.143 20.229 0 U -1.771e+03 0.00e+00 - 0 838 113 839 0 >> 783 0.918 4.370 20.229 0 U -6.242e+02 0.00e+00 - 0 838 90 839 0 >> 784 0.912 3.863 20.979 0 U -7.647e+02 0.00e+00 - 0 841 125 840 0 >> 785 3.888 0.928 44.861 0 U -1.144e+03 0.00e+00 - 0 0 0 0 0 >> 786 4.025 0.938 54.681 0 U 6.562e+02 0.00e+00 - 0 130 847 129 0 >> 787 0.758 7.791 41.985 0 U -4.547e+02 0.00e+00 - 0 133 128 131 0 >> 788 0.284 4.015 41.985 0 U -5.037e+02 0.00e+00 - 0 132 130 131 0 >> 789 0.937 4.019 26.335 0 U -5.718e+02 0.00e+00 - 0 847 130 844 0 >> 790 0.934 0.114 26.371 0 U -7.994e+02 0.00e+00 - 0 847 846 844 0 >> 791 0.104 3.146 23.771 0 U -6.553e+02 0.00e+00 - 0 846 272 842 0 >> 792 0.104 7.325 23.771 0 U -5.941e+02 0.00e+00 - 0 0 0 0 0 >> 793 0.105 10.003 23.824 0 U -5.448e+02 0.00e+00 - 0 846 989 842 0 >> 794 0.267 1.856 22.993 0 U -8.790e+02 0.00e+00 - 0 845 391 843 0 >> 795 0.267 2.254 22.993 0 U -7.416e+02 0.00e+00 - 0 845 888 843 0 >> 796 4.436 3.482 59.612 0 U 9.520e+02 0.00e+00 - 0 153 156 152 0 >> 797 4.436 9.806 59.612 0 U 8.572e+02 0.00e+00 - 0 153 410 152 0 >> 798 3.017 -0.072 31.135 0 U -6.080e+02 0.00e+00 - 0 0 0 0 0 >> 799 2.990 -0.747 31.061 0 U -4.851e+02 0.00e+00 - 0 415 859 413 0 >> 800 3.023 7.068 31.196 0 U -6.143e+02 0.00e+00 - 0 155 993 154 0 >> 801 4.166 6.518 54.886 0 U 7.859e+02 0.00e+00 - 0 0 0 0 0 >> 802 4.973 3.522 55.942 0 U 6.528e+02 0.00e+00 - 0 169 172 168 0 >> 803 4.283 2.265 58.268 0 U 3.006e+03 0.00e+00 - 0 190 849 189 0 >> 804 2.501 2.265 25.963 0 U -7.842e+03 0.00e+00 - 0 193 849 191 0 >> 805 2.369 2.265 25.963 0 U -1.176e+04 0.00e+00 - 0 192 849 191 0 >> 806 4.572 8.553 63.333 0 U 1.593e+03 0.00e+00 - 0 205 203 204 0 >> 807 4.574 1.170 63.197 0 U 1.298e+03 0.00e+00 - 0 205 851 204 0 >> 808 1.183 -0.771 21.965 0 U -8.029e+02 0.00e+00 - 0 851 859 850 0 >> 809 1.183 6.334 21.965 0 U -6.764e+02 0.00e+00 - 0 851 997 850 0 >> 810 1.183 9.814 21.965 0 U -7.457e+02 0.00e+00 - 0 851 410 850 0 >> 811 1.183 8.164 21.965 0 U -8.509e+02 0.00e+00 - 0 0 0 0 0 >> 812 1.183 5.090 21.965 0 U -5.860e+02 0.00e+00 - 0 851 215 850 0 >> 813 5.105 8.198 61.205 0 U 1.108e+03 0.00e+00 - 0 215 213 214 0 >> 815 4.006 7.922 70.586 0 U 6.271e+02 0.00e+00 - 0 227 233 226 0 >> 816 4.473 7.921 60.102 0 U 8.472e+02 0.00e+00 - 0 856 233 816 0 >> 817 4.473 -0.757 60.102 0 U 9.492e+02 0.00e+00 - 0 856 859 816 0 >> 818 3.721 2.447 67.491 0 U 7.949e+02 0.00e+00 - 0 857 895 815 0 >> 819 3.721 4.243 67.491 0 U 7.859e+02 0.00e+00 - 0 857 412 815 0 >> 820 4.335 0.770 55.281 0 U 7.736e+02 0.00e+00 - 0 255 866 254 0 >> 821 4.335 1.346 55.281 0 U 1.713e+03 0.00e+00 - 0 255 867 254 0 >> 822 1.346 1.442 26.974 0 U -1.220e+04 0.00e+00 - 0 867 257 864 0 >> 823 0.922 1.346 23.787 0 U -5.148e+03 0.00e+00 - 0 865 867 862 0 >> 824 4.630 8.410 57.158 0 U 2.432e+03 0.00e+00 - 0 269 267 268 0 >> 825 2.033 3.074 32.755 0 U -7.256e+02 0.00e+00 - 0 295 872 294 0 >> 826 2.033 3.258 32.755 0 U -7.356e+02 0.00e+00 - 0 295 871 294 0 >> 827 2.033 9.147 32.755 0 U -6.654e+02 0.00e+00 - 0 295 291 294 0 >> 828 1.412 3.079 32.741 0 U -4.036e+02 0.00e+00 - 0 296 872 294 0 >> 829 1.411 1.636 32.756 0 U -2.292e+03 0.00e+00 - 0 296 869 294 0 >> 830 1.499 3.254 29.040 0 U -6.503e+02 0.00e+00 - 0 0 0 0 0 >> 831 1.484 4.663 29.105 0 U -7.768e+02 0.00e+00 - 0 0 0 0 0 >> 832 1.484 0.767 29.105 0 U -8.520e+02 0.00e+00 - 0 0 0 0 0 >> 833 1.630 2.033 29.084 0 U -1.341e+03 0.00e+00 - 0 869 295 868 0 >> 834 3.079 3.917 43.676 0 U -6.688e+02 0.00e+00 - 0 872 449 300 0 >> 835 3.079 8.742 43.676 0 U -5.789e+02 0.00e+00 - 0 872 453 300 0 >> 836 3.258 3.513 43.676 0 U -1.648e+03 0.00e+00 - 0 871 450 300 0 >> 837 5.375 8.329 54.256 0 U 6.693e+02 0.00e+00 - 0 316 314 315 0 >> 838 5.375 1.489 54.256 0 U 6.362e+02 0.00e+00 - 0 316 875 315 0 >> 839 5.375 1.706 54.256 0 U 1.023e+03 0.00e+00 - 0 316 319 315 0 >> 840 1.622 1.708 33.981 0 U -3.204e+04 0.00e+00 - 0 318 319 317 0 >> 841 1.622 1.489 33.981 0 U -6.514e+03 0.00e+00 - 0 318 875 317 0 >> 842 1.622 8.840 33.981 0 U -6.073e+02 0.00e+00 - 0 318 337 317 0 >> 843 1.622 8.319 33.981 0 U -5.094e+02 0.00e+00 - 0 318 314 317 0 >> 844 1.485 8.315 26.586 0 U -4.767e+02 0.00e+00 - 0 875 314 873 0 >> 845 3.619 7.769 38.667 0 U -5.016e+02 0.00e+00 - 0 341 1049 340 0 >> 846 4.322 2.346 56.619 0 U 2.539e+03 0.00e+00 - 0 358 879 357 0 >> 847 2.236 2.346 29.207 0 U -6.841e+03 0.00e+00 - 0 360 879 359 0 >> 848 4.271 1.626 45.254 0 U -7.396e+02 0.00e+00 - 0 0 0 0 0 >> 849 5.010 2.225 62.722 0 U 1.164e+03 0.00e+00 - 0 388 888 387 0 >> 851 4.998 3.798 62.766 0 U 6.653e+02 0.00e+00 - 0 388 890 387 0 >> 852 2.246 7.372 27.536 0 U -6.262e+02 0.00e+00 - 0 888 142 886 0 >> 853 3.799 1.885 50.240 0 U 3.518e+03 0.00e+00 - 0 0 0 0 0 >> 854 5.731 0.746 58.865 0 U 8.231e+02 0.00e+00 - 0 401 893 400 0 >> 855 5.741 3.032 58.759 0 U 6.028e+02 0.00e+00 - 0 401 155 400 0 >> 856 5.741 6.315 58.759 0 U 6.006e+02 0.00e+00 - 0 401 997 400 0 >> 857 1.155 4.419 23.062 0 U -6.403e+02 0.00e+00 - 0 894 153 892 0 >> 858 1.161 3.148 23.025 0 U -6.933e+02 0.00e+00 - 0 894 896 892 0 >> 859 1.156 3.610 23.030 0 U -6.978e+02 0.00e+00 - 0 894 341 892 0 >> 860 0.749 3.106 19.162 0 U -8.269e+02 0.00e+00 - 0 0 0 0 0 >> 861 0.750 8.854 19.158 0 U -6.463e+02 0.00e+00 - 0 893 337 891 0 >> 862 0.750 9.130 19.158 0 U -5.936e+02 0.00e+00 - 0 893 291 891 0 >> 863 0.751 9.812 19.112 0 U -5.945e+02 0.00e+00 - 0 893 410 891 0 >> 864 4.077 9.264 57.626 0 U 6.924e+02 0.00e+00 - 0 0 0 0 0 >> 865 1.514 2.707 18.382 0 U -5.590e+02 0.00e+00 - 0 435 423 434 0 >> 866 1.514 2.888 18.382 0 U -6.172e+02 0.00e+00 - 0 435 1016 434 0 >> 867 1.514 3.244 18.382 0 U -8.119e+02 0.00e+00 - 0 435 1017 434 0 >> 868 4.014 7.843 65.467 0 U 6.532e+02 0.00e+00 - 0 0 0 0 0 >> 869 3.146 9.812 28.909 0 U -6.473e+02 0.00e+00 - 0 896 410 441 0 >> 870 0.849 6.911 24.783 0 U -6.493e+02 0.00e+00 - 0 901 976 898 0 >> 871 0.857 8.729 24.871 0 U -6.030e+02 0.00e+00 - 0 0 0 0 0 >> 872 0.837 1.952 23.072 0 U -9.666e+02 0.00e+00 - 0 0 0 0 0 >> 873 0.838 1.773 23.072 0 U -2.122e+03 0.00e+00 - 0 900 457 897 0 >> 874 3.208 2.877 39.741 0 U -1.120e+03 0.00e+00 - 0 471 1016 470 0 >> 875 4.535 2.424 57.676 0 U 1.652e+03 0.00e+00 - 0 488 904 487 0 >> 876 4.524 2.053 57.672 0 U 6.521e+02 0.00e+00 - 0 488 1001 487 0 >> 877 4.530 2.793 57.682 0 U 8.361e+02 0.00e+00 - 0 488 905 487 0 >> 878 2.242 7.837 31.780 0 U -9.996e+02 0.00e+00 - 0 0 0 0 0 >> 879 2.219 2.803 31.780 0 U -1.505e+03 0.00e+00 - 0 491 905 489 0 >> 880 2.242 2.803 31.780 0 U -1.878e+03 0.00e+00 - 0 490 905 489 0 >> 881 2.434 4.532 32.230 0 U -6.202e+02 0.00e+00 - 0 904 488 903 0 >> 882 2.044 7.353 17.383 0 U -5.711e+02 0.00e+00 - 0 0 0 0 0 >> 883 2.044 3.919 17.383 0 U -7.343e+02 0.00e+00 - 0 1001 550 1002 0 >> 884 1.416 2.964 24.600 0 U -8.298e+02 0.00e+00 - 0 0 0 0 0 >> 885 4.030 1.165 56.779 0 U 1.049e+03 0.00e+00 - 0 520 920 519 0 >> 886 1.300 1.165 42.406 0 U -7.692e+03 0.00e+00 - 0 916 920 521 0 >> 887 0.720 7.776 24.048 0 U -6.704e+02 0.00e+00 - 0 919 518 914 0 >> 888 2.683 5.524 31.970 0 U -5.605e+02 0.00e+00 - 0 921 998 535 0 >> 889 3.079 7.371 31.961 0 U -1.024e+03 0.00e+00 - 0 0 0 0 0 >> 890 1.027 4.178 22.080 0 U -6.955e+02 0.00e+00 - 0 1007 551 1005 0 >> 891 1.924 4.615 27.593 0 U -5.950e+02 0.00e+00 - 0 927 567 924 0 >> 892 1.922 1.741 27.596 0 U -6.306e+03 0.00e+00 - 0 927 928 924 0 >> 893 3.756 0.906 50.352 0 U 8.436e+02 0.00e+00 - 0 930 1006 925 0 >> 894 3.639 1.922 50.352 0 U 1.477e+03 0.00e+00 - 0 1008 927 925 0 >> 895 3.756 1.741 50.352 0 U 1.141e+03 0.00e+00 - 0 930 928 925 0 >> 896 3.132 6.593 54.455 0 U 9.009e+02 0.00e+00 - 0 1010 985 28 0 >> 897 3.124 8.737 54.482 0 U 6.984e+02 0.00e+00 - 0 1010 27 28 0 >> 898 1.147 1.247 32.836 0 U -2.703e+03 0.00e+00 - 0 1009 1013 30 0 >> 899 1.687 1.247 32.836 0 U -2.182e+03 0.00e+00 - 0 1015 1013 30 0 >> 900 1.135 2.886 32.837 0 U -6.393e+02 0.00e+00 - 0 0 0 0 0 >> 901 1.687 2.881 32.836 0 U -6.321e+02 0.00e+00 - 0 0 0 0 0 >> 902 0.788 1.147 27.210 0 U -1.575e+03 0.00e+00 - 0 1014 1009 1011 0 >> 903 0.797 3.141 27.206 0 U -1.073e+03 0.00e+00 - 0 1014 1010 1011 0 >> 904 2.881 1.147 43.940 0 U -1.073e+03 0.00e+00 - 0 1016 1009 1012 0 >> 905 3.262 1.147 43.910 0 U -1.202e+03 0.00e+00 - 0 1017 1009 1012 0 >> 906 2.242 2.434 31.780 0 U -2.312e+03 0.00e+00 - 0 490 904 489 0 >> 907 2.219 2.434 31.780 0 U -2.981e+03 0.00e+00 - 0 491 904 489 0 >> 908 2.194 8.287 32.058 0 U -7.637e+02 0.00e+00 - 0 605 614 604 0 >> 909 1.776 8.276 31.891 0 U -6.222e+02 0.00e+00 - 0 606 614 604 0 >> 910 2.905 1.776 51.764 0 U 9.004e+02 0.00e+00 - 0 936 606 933 0 >> 911 3.636 7.329 51.760 0 U 7.407e+02 0.00e+00 - 0 935 983 933 0 >> 912 3.642 4.288 51.737 0 U 5.743e+02 0.00e+00 - 0 935 603 933 0 >> 913 4.279 1.592 54.535 0 U 2.779e+03 0.00e+00 - 0 616 619 615 0 >> 914 0.870 4.279 25.195 0 U -6.794e+02 0.00e+00 - 0 941 616 938 0 >> 915 0.870 2.439 25.195 0 U -8.099e+02 0.00e+00 - 0 941 184 938 0 >> 916 0.870 3.275 25.195 0 U -8.300e+02 0.00e+00 - 0 941 183 938 0 >> 917 0.870 1.512 25.195 0 U -1.457e+03 0.00e+00 - 0 941 618 938 0 >> 918 0.870 1.592 25.195 0 U -2.728e+03 0.00e+00 - 0 941 619 938 0 >> 919 0.870 7.602 25.195 0 U -6.553e+02 0.00e+00 - 0 941 970 938 0 >> 920 0.724 7.607 23.014 0 U -6.864e+02 0.00e+00 - 0 940 970 937 0 >> 921 1.675 4.279 26.725 0 U -1.261e+03 0.00e+00 - 0 942 616 939 0 >> 922 4.414 8.234 55.392 0 U 6.581e+02 0.00e+00 - 0 637 648 636 0 >> 923 2.048 8.140 32.700 0 U -1.866e+02 0.00e+00 - 0 943 635 638 0 >> 924 4.302 8.525 56.547 0 U 8.530e+02 0.00e+00 - 0 0 0 0 0 >> 925 1.952 9.584 30.247 0 U -5.867e+02 0.00e+00 - 0 0 0 0 0 >> 926 4.149 0.892 61.280 0 U 2.290e+03 0.00e+00 - 0 0 0 0 0 >> 927 1.858 1.454 38.550 0 U -1.335e+03 0.00e+00 - 0 712 960 711 0 >> 928 1.454 1.847 27.256 0 U -7.366e+02 0.00e+00 - 0 960 712 955 0 >> 929 0.902 1.450 17.405 0 U -6.051e+02 0.00e+00 - 0 958 960 957 0 >> 930 4.197 1.196 69.586 0 U 4.231e+03 0.00e+00 - 0 741 965 740 0 >> 931 4.197 4.308 69.586 0 U 1.024e+04 0.00e+00 - 0 741 739 740 0 >> 932 1.196 4.296 21.626 0 U -2.905e+03 0.00e+00 - 0 965 739 964 0 >> 933 1.794 4.119 33.490 0 U -8.730e+02 0.00e+00 - 0 1040 1029 1026 0 >> 934 1.794 1.399 33.490 0 U -3.127e+03 0.00e+00 - 0 1040 1043 1026 0 >> 935 1.684 4.046 29.022 0 U -6.969e+02 0.00e+00 - 0 1062 501 907 0 >> 936 4.350 8.129 55.927 0 U 1.401e+03 0.00e+00 - 0 749 770 748 0 >> 938 0.850 4.138 24.821 0 U -1.085e+03 0.00e+00 - 0 901 433 898 0 >> 939 2.044 2.803 17.383 0 U -1.928e+03 0.00e+00 - 0 1001 905 1002 0 >> 940 4.640 4.267 57.090 0 U 1.384e+03 0.00e+00 - 0 269 412 268 0 >> 941 4.411 2.122 55.731 0 U 2.156e+03 0.00e+00 - 0 724 727 723 0 >> 942 4.411 2.006 55.731 0 U 2.075e+03 0.00e+00 - 0 0 0 0 0 >> 943 3.010 -0.755 31.148 0 U -3.415e+02 0.00e+00 - 0 0 0 0 0 >> 944 0.859 1.863 12.996 0 U -1.083e+03 0.00e+00 - 0 959 712 956 0 >> 945 4.436 6.317 59.612 0 U 1.348e+03 0.00e+00 - 0 153 997 152 0 >> 946 4.436 1.443 59.544 0 U 8.743e+02 0.00e+00 - 0 153 164 152 0 >> 948 3.801 4.996 50.257 0 U 5.942e+02 0.00e+00 - 0 890 388 887 0 >> 949 2.256 1.443 36.004 0 U -5.441e+02 0.00e+00 - 0 884 164 883 0 >> 950 5.005 0.741 62.680 0 U 7.316e+02 0.00e+00 - 0 388 893 387 0 >> 951 3.211 1.678 39.645 0 U -6.059e+02 0.00e+00 - 0 471 1015 470 0 >> 952 1.701 3.209 32.844 0 U -7.551e+02 0.00e+00 - 0 1015 471 30 0 >> 953 4.289 7.710 45.405 0 U -6.202e+02 0.00e+00 - 0 370 356 369 0 >> 954 3.629 1.235 51.710 0 U 6.099e+02 0.00e+00 - 0 935 1013 933 0 >> 955 2.042 7.476 29.080 0 U -6.232e+02 0.00e+00 - 0 882 971 377 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.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 all . 9000.9 . . 19312 2 >> 2 H 1 all . 9000.9 . . 19312 2 >> 3 C 13 cali . 7204 . . 19312 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 $hr4783b.009 _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 19312 >> _Spectral_peak_list.ID 3 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $hr4783b.009 >> _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 >>#CYANAFORMAT HhC >> 1 7.053 9.987 114.477 0 U -1.618e+03 0.00e+00 - 0 991 989 992 0 >> 2 7.051 5.096 114.440 0 U -1.562e+03 0.00e+00 - 0 991 215 992 0 >> 3 7.053 0.752 114.486 0 U -7.426e+02 0.00e+00 - 0 991 133 992 0 >> 4 7.179 9.988 126.699 0 U 6.902e+03 0.00e+00 - 0 987 989 988 0 >> 5 7.179 8.405 126.653 0 U 2.046e+03 0.00e+00 - 0 987 267 988 0 >> 6 7.178 3.131 126.764 0 U 1.449e+03 0.00e+00 - 0 987 272 988 0 >> 7 7.180 3.019 126.708 0 U 2.919e+03 0.00e+00 - 0 987 271 988 0 >> 8 7.179 0.101 126.743 0 U 7.527e+02 0.00e+00 - 0 987 846 988 0 >> 9 7.186 -0.775 126.599 0 U 8.341e+02 0.00e+00 - 0 987 859 988 0 >> 10 7.071 8.837 123.403 0 U -1.863e+03 0.00e+00 - 0 993 151 994 0 >> 11 7.070 6.318 123.479 0 U -1.693e+03 0.00e+00 - 0 993 997 994 0 >> 12 7.069 5.013 123.449 0 U -2.171e+03 0.00e+00 - 0 993 144 994 0 >> 13 7.073 1.175 123.419 0 U -1.253e+03 0.00e+00 - 0 993 851 994 0 >> 14 6.319 7.057 119.282 0 U -1.504e+03 0.00e+00 - 0 997 993 1000 0 >> 15 6.314 4.437 119.303 0 U -1.271e+03 0.00e+00 - 0 997 153 1000 0 >> 16 6.318 3.026 119.182 0 U -1.015e+03 0.00e+00 - 0 997 155 1000 0 >> 17 7.296 9.129 120.033 0 U -9.256e+02 0.00e+00 - 0 995 291 996 0 >> 18 7.295 8.503 120.108 0 U -9.625e+02 0.00e+00 - 0 995 399 996 0 >> 19 7.296 4.637 119.994 0 U -1.620e+03 0.00e+00 - 0 995 269 996 0 >> 20 7.294 3.139 120.179 0 U -1.567e+03 0.00e+00 - 0 995 272 996 0 >> 21 7.296 3.023 119.986 0 U -7.239e+02 0.00e+00 - 0 995 271 996 0 >> 22 7.305 1.878 120.110 0 U -7.655e+02 0.00e+00 - 0 995 391 996 0 >> 23 7.295 1.785 120.300 0 U -7.245e+02 0.00e+00 - 0 995 390 996 0 >> 24 7.326 7.833 133.845 0 U 2.245e+03 0.00e+00 - 0 0 0 0 0 >> 25 7.327 6.596 133.816 0 U 1.208e+04 0.00e+00 - 0 983 985 984 0 >> 26 7.326 5.520 133.816 0 U 1.061e+03 0.00e+00 - 0 983 998 984 0 >> 27 7.325 4.530 133.882 0 U 1.292e+03 0.00e+00 - 0 983 488 984 0 >> 28 7.329 4.070 133.838 0 U 1.909e+03 0.00e+00 - 0 983 469 984 0 >> 29 7.327 3.202 133.821 0 U 1.072e+04 0.00e+00 - 0 983 471 984 0 >> 30 7.328 2.885 133.867 0 U 1.398e+03 0.00e+00 - 0 983 1016 984 0 >> 31 7.324 1.232 133.676 0 U 8.713e+02 0.00e+00 - 0 983 1013 984 0 >> 32 7.329 0.897 133.800 0 U 1.231e+03 0.00e+00 - 0 0 0 0 0 >> 33 7.330 0.772 133.857 0 U 9.425e+02 0.00e+00 - 0 983 1014 984 0 >> 34 6.602 7.320 118.549 0 U -1.479e+04 0.00e+00 - 0 985 983 986 0 >> 35 6.604 3.634 118.558 0 U -1.846e+03 0.00e+00 - 0 985 935 986 0 >> 36 6.604 3.119 118.513 0 U -1.827e+03 0.00e+00 - 0 985 1010 986 0 >> 37 6.603 2.891 118.521 0 U -1.313e+03 0.00e+00 - 0 0 0 0 0 >> 38 6.601 2.684 118.554 0 U -1.124e+03 0.00e+00 - 0 985 921 986 0 >> 39 6.602 0.903 118.551 0 U -8.110e+03 0.00e+00 - 0 985 1006 986 0 >> 40 6.608 0.769 118.497 0 U -8.216e+02 0.00e+00 - 0 0 0 0 0 >> 41 7.058 -0.785 114.466 0 U -6.016e+02 0.00e+00 - 0 991 859 992 0 >> 42 7.053 6.318 114.469 0 U -8.259e+02 0.00e+00 - 0 991 997 992 0 >> 43 7.053 5.012 114.469 0 U -8.413e+02 0.00e+00 - 0 991 144 992 0 >> 44 7.053 8.844 114.469 0 U -5.044e+02 0.00e+00 - 0 991 151 992 0 >> 45 7.071 5.091 123.425 0 U -2.108e+03 0.00e+00 - 0 993 215 994 0 >> 46 7.058 3.472 123.367 0 U -6.995e+02 0.00e+00 - 0 0 0 0 0 >> 47 7.327 2.679 133.838 0 U 6.021e+02 0.00e+00 - 0 983 921 984 0 >> 48 7.327 4.601 133.838 0 U 7.358e+02 0.00e+00 - 0 983 567 984 0 >> 49 7.335 8.761 133.748 0 U 8.291e+02 0.00e+00 - 0 983 27 984 0 >> 50 6.603 3.208 118.521 0 U -1.101e+03 0.00e+00 - 0 985 471 986 0 >> 51 5.524 4.079 120.819 0 U -7.266e+02 0.00e+00 - 0 998 468 999 0 >> 52 7.629 0.659 137.907 0 U 4.972e+02 0.00e+00 - 0 1079 918 1081 0 >> 53 7.633 0.725 137.907 0 U 5.086e+02 0.00e+00 - 0 1079 919 1081 0 >> 54 5.519 8.354 120.998 0 U -6.343e+02 0.00e+00 - 0 998 532 999 0 >> 55 5.521 7.304 120.925 0 U -5.519e+02 0.00e+00 - 0 998 983 999 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.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 all . 9000.9 . . 19312 3 >> 2 H 1 all . 9000.9 . . 19312 3 >> 3 C 13 caro . 7204 . . 19312 3 >> >> stop_ >> >>save_ >> ; save_