data_15074 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of the 1H, 15N and 13C resonances and determination of the 3D- structure of In-Between-RING (IBR) domain of Parkin ; _BMRB_accession_number 15074 _BMRB_flat_file_name bmr15074.str _Entry_type original _Submission_date 2006-12-12 _Accession_date 2006-12-12 _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 Shaw Gary S. . 2 Beasley Steven A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 423 "13C chemical shifts" 289 "15N chemical shifts" 81 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-04-07 update BMRB 'update ligand saveframes' 2010-01-08 update BMRB 'update entry title' 2007-05-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the Parkin in-between-ring domain provides insights for E3-ligase dysfunction in autosomal recessive Parkinson's disease. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17360614 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Beasley Steven A. . 2 Hristova Ventzislava A. . 3 Shaw Gary S. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_volume 104 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3095 _Page_last 3100 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'IBR domain of Parkin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'IBR domain of Parkin' $IBR_domain_of_human_Parkin 'zinc ion, 1' $ZN 'zinc ion, 2' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_IBR_domain_of_human_Parkin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common IBR_domain_of_human_Parkin _Molecular_mass 8610.6 _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 80 _Mol_residue_sequence ; GHMGEEQYNRYQQYGAEECV LQMGGVLCPRPGCGAGLLPE PDQRKVTCEGGNGLGCGFAF CRECKEAYHEGECSAVFEAS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 MET 4 GLY 5 GLU 6 GLU 7 GLN 8 TYR 9 ASN 10 ARG 11 TYR 12 GLN 13 GLN 14 TYR 15 GLY 16 ALA 17 GLU 18 GLU 19 CYS 20 VAL 21 LEU 22 GLN 23 MET 24 GLY 25 GLY 26 VAL 27 LEU 28 CYS 29 PRO 30 ARG 31 PRO 32 GLY 33 CYS 34 GLY 35 ALA 36 GLY 37 LEU 38 LEU 39 PRO 40 GLU 41 PRO 42 ASP 43 GLN 44 ARG 45 LYS 46 VAL 47 THR 48 CYS 49 GLU 50 GLY 51 GLY 52 ASN 53 GLY 54 LEU 55 GLY 56 CYS 57 GLY 58 PHE 59 ALA 60 PHE 61 CYS 62 ARG 63 GLU 64 CYS 65 LYS 66 GLU 67 ALA 68 TYR 69 HIS 70 GLU 71 GLY 72 GLU 73 CYS 74 SER 75 ALA 76 VAL 77 PHE 78 GLU 79 ALA 80 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 2JMO "Ibr Domain Of Human Parkin" 100.00 80 100.00 100.00 1.33e-48 PDB 4BM9 "Structure Of The Autoinhibited Parkin Catalytic Domain" 97.50 329 98.72 100.00 5.74e-45 PDB 4I1F "Structure Of Parkin-s223p E3 Ligase" 97.50 325 98.72 100.00 4.72e-45 PDB 4I1H "Structure Of Parkin E3 Ligase" 97.50 325 98.72 100.00 4.29e-45 PDB 5C1Z "Parkin (ublr0rbr)" 97.50 405 98.72 100.00 6.69e-45 PDB 5C23 "Parkin (s65dublr0rbr)" 97.50 405 98.72 100.00 6.69e-45 PDB 5C9V "Structure Of Human Parkin G319a" 97.50 330 97.44 98.72 2.29e-44 DBJ BAA25751 "Parkin [Homo sapiens]" 97.50 465 98.72 100.00 1.13e-44 DBJ BAF43729 "parkin 2 [Homo sapiens]" 97.50 465 97.44 98.72 3.69e-44 DBJ BAF85279 "unnamed protein product [Homo sapiens]" 97.50 465 98.72 100.00 1.09e-44 DBJ BAG57845 "unnamed protein product [Homo sapiens]" 72.50 139 98.28 100.00 2.96e-31 DBJ BAI46122 "Parkinson disease (autosomal recessive, juvenile) 2, parkin [synthetic construct]" 97.50 465 98.72 100.00 1.09e-44 EMBL CAH90914 "hypothetical protein [Pongo abelii]" 97.50 316 97.44 100.00 3.54e-45 GB AAM21457 "parkin isoform [Homo sapiens]" 97.50 274 98.72 100.00 2.32e-45 GB AAM21459 "parkin isoform [Homo sapiens]" 97.50 203 98.72 100.00 2.99e-46 GB AAM21461 "parkin isoform [Homo sapiens]" 97.50 177 98.72 100.00 4.22e-46 GB AAS88422 "parkin [Homo sapiens]" 62.50 50 98.00 98.00 2.40e-25 GB ADB90270 "parkin variant SV5DEL [Homo sapiens]" 97.50 437 98.72 100.00 6.25e-45 REF NP_001125521 "E3 ubiquitin-protein ligase parkin [Pongo abelii]" 97.50 316 97.44 100.00 3.54e-45 REF NP_004553 "E3 ubiquitin-protein ligase parkin isoform 1 [Homo sapiens]" 97.50 465 98.72 100.00 1.09e-44 REF NP_054642 "E3 ubiquitin-protein ligase parkin isoform 2 [Homo sapiens]" 97.50 437 98.72 100.00 6.25e-45 REF NP_054643 "E3 ubiquitin-protein ligase parkin isoform 3 [Homo sapiens]" 97.50 316 98.72 100.00 1.16e-45 REF XP_001099588 "PREDICTED: e3 ubiquitin-protein ligase parkin-like isoform 1 [Macaca mulatta]" 91.25 172 97.26 98.63 8.40e-42 SP O60260 "RecName: Full=E3 ubiquitin-protein ligase parkin; Short=Parkin; AltName: Full=Parkinson juvenile disease protein 2; Short=Parki" 97.50 465 98.72 100.00 1.09e-44 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Apr 7 15:06:23 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $IBR_domain_of_human_Parkin Human 9606 Eukaryota Metazoa Homo sapiens PARK2 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 _Details $IBR_domain_of_human_Parkin 'recombinant technology' . Escherichia coli 'BL21(DE3) STAR' 'p11 (modified pET15b)' 'the thrombin site of pET15b has been replaced with a TEV recognition site' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IBR_domain_of_human_Parkin 0.2 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 25 mM none 'sodium chloride' 100 mM none DTT 1 mM none DSS 0.033 mM none stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $IBR_domain_of_human_Parkin 0.2 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 25 mM none 'sodium chloride' 100 mM none DTT 1 mM none DSS 0.033 mM none stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.5.4 loop_ _Vendor _Address _Electronic_address 'P Guntert, C Mumenthaler and K Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4.sol7 loop_ _Vendor _Address _Electronic_address 'B Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Vendor _Address _Electronic_address 'F Delaglio, S Grzesiek, GW Vuister, G Zhu, J Pfeifer and A Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HC(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HBCBCHCDHD_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBCBCHCDHD' _Sample_label $sample_2 save_ save_2D_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 125 . mM pH 6.95 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HC(CO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D HBCBCHCDHD' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'IBR domain of Parkin' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY H H 10.276 . 1 2 1 1 GLY HA2 H 4.219 . 2 3 1 1 GLY HA3 H 3.983 . 2 4 1 1 GLY CA C 45.298 . 1 5 1 1 GLY N N 119.556 . 1 6 2 2 HIS H H 7.929 . 1 7 2 2 HIS HD2 H 7.054 . 4 8 2 2 HIS HE1 H 7.946 . 4 9 2 2 HIS CB C 31.017 . 1 10 2 2 HIS CD2 C 119.738 . 1 11 2 2 HIS CE1 C 137.988 . 1 12 2 2 HIS N N 118.946 . 1 13 3 3 MET HA H 4.537 . 1 14 3 3 MET HG2 H 2.632 . 1 15 3 3 MET HG3 H 2.632 . 1 16 3 3 MET C C 176.240 . 1 17 3 3 MET CA C 55.681 . 1 18 3 3 MET CB C 33.063 . 1 19 3 3 MET CG C 32.095 . 1 20 4 4 GLY H H 8.155 . 1 21 4 4 GLY HA2 H 4.031 . 1 22 4 4 GLY HA3 H 4.031 . 1 23 4 4 GLY C C 174.348 . 1 24 4 4 GLY CA C 45.418 . 1 25 4 4 GLY N N 108.673 . 1 26 5 5 GLU H H 8.351 . 1 27 5 5 GLU HA H 4.275 . 1 28 5 5 GLU HB2 H 1.954 . 1 29 5 5 GLU HB3 H 1.954 . 1 30 5 5 GLU HG2 H 2.303 . 1 31 5 5 GLU HG3 H 2.303 . 1 32 5 5 GLU C C 177.037 . 1 33 5 5 GLU CA C 57.098 . 1 34 5 5 GLU CB C 30.282 . 1 35 5 5 GLU CG C 36.361 . 1 36 5 5 GLU N N 120.605 . 1 37 6 6 GLU H H 8.641 . 1 38 6 6 GLU HA H 4.248 . 1 39 6 6 GLU HB2 H 1.981 . 1 40 6 6 GLU HB3 H 1.981 . 1 41 6 6 GLU HG2 H 2.277 . 1 42 6 6 GLU HG3 H 2.277 . 1 43 6 6 GLU C C 176.799 . 1 44 6 6 GLU CA C 57.344 . 1 45 6 6 GLU CB C 29.842 . 1 46 6 6 GLU CG C 36.256 . 1 47 6 6 GLU N N 121.425 . 1 48 7 7 GLN H H 8.304 . 1 49 7 7 GLN HG2 H 2.223 . 1 50 7 7 GLN HG3 H 2.223 . 1 51 7 7 GLN HE21 H 7.471 . 2 52 7 7 GLN HE22 H 6.833 . 2 53 7 7 GLN C C 175.537 . 1 54 7 7 GLN CA C 56.292 . 1 55 7 7 GLN CB C 29.164 . 1 56 7 7 GLN CG C 33.767 . 1 57 7 7 GLN N N 120.185 . 1 58 7 7 GLN NE2 N 112.332 . 1 59 8 8 TYR H H 8.221 . 1 60 8 8 TYR HA H 4.606 . 1 61 8 8 TYR HB2 H 3.105 . 2 62 8 8 TYR HB3 H 2.920 . 2 63 8 8 TYR HD1 H 7.148 . 1 64 8 8 TYR HD2 H 7.148 . 1 65 8 8 TYR HE1 H 6.808 . 1 66 8 8 TYR HE2 H 6.808 . 1 67 8 8 TYR C C 175.728 . 1 68 8 8 TYR CA C 58.138 . 1 69 8 8 TYR CB C 38.766 . 1 70 8 8 TYR N N 120.918 . 1 71 9 9 ASN H H 8.288 . 1 72 9 9 ASN HA H 4.654 . 1 73 9 9 ASN HB2 H 2.782 . 2 74 9 9 ASN HB3 H 2.763 . 2 75 9 9 ASN HD21 H 7.587 . 2 76 9 9 ASN HD22 H 6.931 . 2 77 9 9 ASN C C 175.439 . 1 78 9 9 ASN CA C 53.435 . 1 79 9 9 ASN CB C 38.790 . 1 80 9 9 ASN N N 120.180 . 1 81 9 9 ASN ND2 N 112.465 . 1 82 10 10 ARG H H 8.128 . 1 83 10 10 ARG HA H 4.171 . 1 84 10 10 ARG HB2 H 1.706 . 1 85 10 10 ARG HB3 H 1.706 . 1 86 10 10 ARG HG2 H 1.442 . 1 87 10 10 ARG HG3 H 1.442 . 1 88 10 10 ARG HD2 H 3.135 . 1 89 10 10 ARG HD3 H 3.135 . 1 90 10 10 ARG C C 176.244 . 1 91 10 10 ARG CA C 57.023 . 1 92 10 10 ARG CB C 30.535 . 1 93 10 10 ARG CG C 26.992 . 1 94 10 10 ARG CD C 43.525 . 1 95 10 10 ARG N N 121.014 . 1 96 11 11 TYR H H 8.108 . 1 97 11 11 TYR HA H 4.543 . 1 98 11 11 TYR HB2 H 3.102 . 2 99 11 11 TYR HB3 H 2.966 . 2 100 11 11 TYR HD1 H 7.081 . 1 101 11 11 TYR HD2 H 7.081 . 1 102 11 11 TYR HE1 H 6.808 . 1 103 11 11 TYR HE2 H 6.808 . 1 104 11 11 TYR C C 175.929 . 1 105 11 11 TYR CA C 58.219 . 1 106 11 11 TYR CB C 38.365 . 1 107 11 11 TYR N N 119.776 . 1 108 12 12 GLN H H 8.050 . 1 109 12 12 GLN HA H 4.269 . 1 110 12 12 GLN HB2 H 1.927 . 1 111 12 12 GLN HB3 H 1.927 . 1 112 12 12 GLN HG2 H 2.288 . 1 113 12 12 GLN HG3 H 2.288 . 1 114 12 12 GLN HE21 H 7.423 . 2 115 12 12 GLN HE22 H 6.828 . 2 116 12 12 GLN C C 175.917 . 1 117 12 12 GLN CA C 56.240 . 1 118 12 12 GLN CB C 29.463 . 1 119 12 12 GLN CG C 33.711 . 1 120 12 12 GLN N N 120.992 . 1 121 12 12 GLN NE2 N 112.057 . 1 122 13 13 GLN H H 8.065 . 1 123 13 13 GLN HA H 4.202 . 1 124 13 13 GLN HB2 H 1.953 . 1 125 13 13 GLN HB3 H 1.953 . 1 126 13 13 GLN HG2 H 2.238 . 1 127 13 13 GLN HG3 H 2.238 . 1 128 13 13 GLN HE21 H 7.419 . 2 129 13 13 GLN HE22 H 6.827 . 2 130 13 13 GLN C C 175.644 . 1 131 13 13 GLN CA C 56.242 . 1 132 13 13 GLN CB C 29.394 . 1 133 13 13 GLN CG C 33.672 . 1 134 13 13 GLN N N 120.539 . 1 135 13 13 GLN NE2 N 112.102 . 1 136 14 14 TYR H H 8.212 . 1 137 14 14 TYR HA H 4.572 . 1 138 14 14 TYR HB2 H 3.101 . 2 139 14 14 TYR HB3 H 2.942 . 2 140 14 14 TYR HD1 H 7.101 . 1 141 14 14 TYR HD2 H 7.101 . 1 142 14 14 TYR HE1 H 6.789 . 1 143 14 14 TYR HE2 H 6.789 . 1 144 14 14 TYR C C 176.382 . 1 145 14 14 TYR CA C 57.958 . 1 146 14 14 TYR CB C 38.983 . 1 147 14 14 TYR CD1 C 133.111 . 1 148 14 14 TYR CD2 C 133.111 . 1 149 14 14 TYR CE1 C 118.072 . 1 150 14 14 TYR CE2 C 118.072 . 1 151 14 14 TYR N N 120.582 . 1 152 15 15 GLY H H 8.405 . 1 153 15 15 GLY HA2 H 3.933 . 1 154 15 15 GLY HA3 H 3.933 . 1 155 15 15 GLY C C 173.776 . 1 156 15 15 GLY CA C 45.407 . 1 157 15 15 GLY N N 110.724 . 1 158 16 16 ALA H H 8.160 . 1 159 16 16 ALA HA H 4.302 . 1 160 16 16 ALA HB H 1.426 . 1 161 16 16 ALA C C 178.147 . 1 162 16 16 ALA CA C 53.034 . 1 163 16 16 ALA CB C 19.392 . 1 164 16 16 ALA N N 123.489 . 1 165 17 17 GLU H H 8.612 . 1 166 17 17 GLU HA H 4.169 . 1 167 17 17 GLU HB2 H 2.020 . 1 168 17 17 GLU HB3 H 2.020 . 1 169 17 17 GLU HG2 H 2.322 . 1 170 17 17 GLU HG3 H 2.322 . 1 171 17 17 GLU C C 177.000 . 1 172 17 17 GLU CA C 57.837 . 1 173 17 17 GLU CB C 29.881 . 1 174 17 17 GLU CG C 36.552 . 1 175 17 17 GLU N N 119.373 . 1 176 18 18 GLU H H 8.413 . 1 177 18 18 GLU HA H 4.210 . 1 178 18 18 GLU HB2 H 2.006 . 1 179 18 18 GLU HB3 H 2.006 . 1 180 18 18 GLU HG2 H 2.291 . 1 181 18 18 GLU HG3 H 2.291 . 1 182 18 18 GLU C C 177.015 . 1 183 18 18 GLU CA C 57.641 . 1 184 18 18 GLU CB C 29.980 . 1 185 18 18 GLU CG C 36.223 . 1 186 18 18 GLU N N 120.184 . 1 187 19 19 CYS H H 8.253 . 1 188 19 19 CYS HA H 4.381 . 1 189 19 19 CYS HB2 H 2.942 . 1 190 19 19 CYS HB3 H 2.942 . 1 191 19 19 CYS C C 175.552 . 1 192 19 19 CYS CA C 59.819 . 1 193 19 19 CYS CB C 27.554 . 1 194 19 19 CYS N N 119.775 . 1 195 20 20 VAL H H 8.051 . 1 196 20 20 VAL HA H 3.939 . 1 197 20 20 VAL HB H 2.092 . 1 198 20 20 VAL HG1 H 0.930 . 2 199 20 20 VAL HG2 H 0.903 . 2 200 20 20 VAL C C 173.904 . 1 201 20 20 VAL CA C 64.113 . 1 202 20 20 VAL CB C 32.316 . 1 203 20 20 VAL CG1 C 20.951 . 2 204 20 20 VAL CG2 C 21.084 . 1 205 20 20 VAL N N 121.008 . 1 206 21 21 LEU H H 8.190 . 1 207 21 21 LEU HA H 4.648 . 1 208 21 21 LEU HB2 H 1.728 . 2 209 21 21 LEU HB3 H 1.563 . 2 210 21 21 LEU HD1 H 0.928 . 2 211 21 21 LEU HD2 H 0.864 . 2 212 21 21 LEU CA C 54.565 . 1 213 21 21 LEU CB C 41.542 . 1 214 21 21 LEU CD2 C 22.842 . 1 215 21 21 LEU N N 123.470 . 1 216 22 22 GLN H H 8.322 . 1 217 22 22 GLN HA H 4.046 . 1 218 22 22 GLN HE21 H 7.528 . 2 219 22 22 GLN HE22 H 6.806 . 2 220 22 22 GLN C C 176.428 . 1 221 22 22 GLN CA C 56.800 . 1 222 22 22 GLN CB C 29.116 . 1 223 22 22 GLN CG C 33.918 . 1 224 22 22 GLN N N 120.999 . 1 225 22 22 GLN NE2 N 112.059 . 1 226 23 23 MET H H 7.958 . 1 227 23 23 MET HA H 4.487 . 1 228 23 23 MET HB2 H 2.221 . 2 229 23 23 MET HB3 H 2.062 . 2 230 23 23 MET HG2 H 2.602 . 1 231 23 23 MET HG3 H 2.602 . 1 232 23 23 MET HE H 2.098 . 1 233 23 23 MET C C 176.558 . 1 234 23 23 MET CA C 55.842 . 1 235 23 23 MET CB C 32.712 . 1 236 23 23 MET CG C 32.065 . 1 237 23 23 MET CE C 16.999 . 1 238 23 23 MET N N 118.950 . 1 239 24 24 GLY H H 8.549 . 1 240 24 24 GLY HA2 H 4.163 . 2 241 24 24 GLY HA3 H 3.919 . 2 242 24 24 GLY C C 174.799 . 1 243 24 24 GLY CA C 45.547 . 1 244 24 24 GLY N N 110.724 . 1 245 25 25 GLY H H 8.216 . 1 246 25 25 GLY HA2 H 4.455 . 2 247 25 25 GLY HA3 H 3.921 . 2 248 25 25 GLY C C 172.658 . 1 249 25 25 GLY CA C 45.087 . 1 250 25 25 GLY N N 107.443 . 1 251 26 26 VAL H H 8.726 . 1 252 26 26 VAL HA H 4.533 . 1 253 26 26 VAL HB H 2.101 . 1 254 26 26 VAL HG1 H 1.060 . 2 255 26 26 VAL HG2 H 1.049 . 2 256 26 26 VAL C C 172.923 . 1 257 26 26 VAL CA C 59.864 . 1 258 26 26 VAL CB C 35.551 . 1 259 26 26 VAL CG1 C 21.587 . 2 260 26 26 VAL CG2 C 21.165 . 2 261 26 26 VAL N N 116.467 . 1 262 27 27 LEU H H 8.201 . 1 263 27 27 LEU HA H 5.057 . 1 264 27 27 LEU HB2 H 1.498 . 2 265 27 27 LEU HB3 H 1.260 . 2 266 27 27 LEU HG H 1.618 . 1 267 27 27 LEU HD1 H 0.848 . 2 268 27 27 LEU HD2 H 0.777 . 2 269 27 27 LEU C C 176.746 . 1 270 27 27 LEU CA C 53.134 . 1 271 27 27 LEU CB C 42.926 . 1 272 27 27 LEU CD1 C 25.169 . 1 273 27 27 LEU CD2 C 23.418 . 2 274 27 27 LEU N N 124.428 . 1 275 28 28 CYS H H 8.902 . 1 276 28 28 CYS HA H 4.158 . 1 277 28 28 CYS HB2 H 3.390 . 2 278 28 28 CYS HB3 H 2.949 . 2 279 28 28 CYS CA C 57.728 . 1 280 28 28 CYS CB C 32.175 . 1 281 28 28 CYS N N 127.173 . 1 282 29 29 PRO HA H 4.410 . 1 283 29 29 PRO HB2 H 2.070 . 2 284 29 29 PRO HB3 H 2.004 . 2 285 29 29 PRO HG2 H 1.484 . 2 286 29 29 PRO HG3 H 1.492 . 2 287 29 29 PRO HD2 H 3.817 . 2 288 29 29 PRO HD3 H 3.631 . 2 289 29 29 PRO C C 177.459 . 1 290 29 29 PRO CA C 62.872 . 1 291 29 29 PRO CB C 32.813 . 1 292 29 29 PRO CG C 27.052 . 1 293 29 29 PRO CD C 50.587 . 1 294 30 30 ARG H H 9.132 . 1 295 30 30 ARG HA H 4.087 . 1 296 30 30 ARG HB2 H 1.722 . 1 297 30 30 ARG HB3 H 1.722 . 1 298 30 30 ARG HG2 H 1.342 . 2 299 30 30 ARG HG3 H 1.221 . 2 300 30 30 ARG HD2 H 2.738 . 2 301 30 30 ARG HD3 H 2.442 . 2 302 30 30 ARG CA C 55.102 . 1 303 30 30 ARG CB C 29.469 . 1 304 30 30 ARG CG C 26.506 . 1 305 30 30 ARG CD C 42.850 . 1 306 30 30 ARG N N 127.589 . 1 307 31 31 PRO HA H 4.242 . 1 308 31 31 PRO HB2 H 2.258 . 2 309 31 31 PRO HB3 H 1.843 . 2 310 31 31 PRO HG2 H 2.056 . 2 311 31 31 PRO HG3 H 1.969 . 2 312 31 31 PRO HD2 H 3.438 . 2 313 31 31 PRO HD3 H 3.991 . 2 314 31 31 PRO C C 177.828 . 1 315 31 31 PRO CA C 64.202 . 1 316 31 31 PRO CB C 31.518 . 1 317 31 31 PRO CG C 27.689 . 1 318 31 31 PRO CD C 51.089 . 1 319 32 32 GLY H H 8.773 . 1 320 32 32 GLY HA2 H 4.065 . 2 321 32 32 GLY HA3 H 3.706 . 2 322 32 32 GLY C C 173.340 . 1 323 32 32 GLY CA C 45.272 . 1 324 32 32 GLY N N 111.942 . 1 325 33 33 CYS H H 7.749 . 1 326 33 33 CYS HA H 4.528 . 1 327 33 33 CYS HB2 H 3.046 . 2 328 33 33 CYS HB3 H 2.560 . 2 329 33 33 CYS CA C 60.515 . 1 330 33 33 CYS CB C 29.641 . 1 331 33 33 CYS N N 123.343 . 1 332 34 34 GLY H H 8.351 . 1 333 34 34 GLY HA2 H 4.120 . 2 334 34 34 GLY HA3 H 3.911 . 2 335 34 34 GLY C C 173.849 . 1 336 34 34 GLY CA C 46.225 . 1 337 34 34 GLY N N 106.570 . 1 338 35 35 ALA H H 8.591 . 1 339 35 35 ALA HA H 4.091 . 1 340 35 35 ALA HB H 1.429 . 1 341 35 35 ALA C C 176.818 . 1 342 35 35 ALA CA C 53.757 . 1 343 35 35 ALA CB C 20.271 . 1 344 35 35 ALA N N 125.109 . 1 345 36 36 GLY H H 8.348 . 1 346 36 36 GLY HA2 H 4.412 . 2 347 36 36 GLY HA3 H 3.479 . 2 348 36 36 GLY C C 177.324 . 1 349 36 36 GLY CA C 45.847 . 1 350 36 36 GLY N N 106.607 . 1 351 37 37 LEU H H 8.190 . 1 352 37 37 LEU HA H 4.753 . 1 353 37 37 LEU HB2 H 1.426 . 2 354 37 37 LEU HB3 H 1.789 . 2 355 37 37 LEU HG H 1.806 . 1 356 37 37 LEU HD1 H 1.085 . 2 357 37 37 LEU HD2 H 1.141 . 2 358 37 37 LEU C C 177.064 . 1 359 37 37 LEU CB C 44.730 . 1 360 37 37 LEU CG C 27.405 . 1 361 37 37 LEU CD1 C 25.826 . 1 362 37 37 LEU CD2 C 24.055 . 1 363 37 37 LEU N N 123.541 . 1 364 38 38 LEU H H 8.210 . 1 365 38 38 LEU HA H 4.981 . 1 366 38 38 LEU HB2 H 1.705 . 2 367 38 38 LEU HB3 H 1.448 . 2 368 38 38 LEU HG H 1.555 . 1 369 38 38 LEU HD1 H 0.866 . 2 370 38 38 LEU HD2 H 0.866 . 2 371 38 38 LEU CA C 51.755 . 1 372 38 38 LEU CB C 42.309 . 1 373 38 38 LEU CD1 C 24.800 . 1 374 38 38 LEU CD2 C 24.800 . 1 375 38 38 LEU N N 124.280 . 1 376 39 39 PRO HA H 4.600 . 1 377 39 39 PRO HB2 H 2.229 . 2 378 39 39 PRO HB3 H 2.041 . 2 379 39 39 PRO HG2 H 1.890 . 2 380 39 39 PRO HG3 H 1.738 . 2 381 39 39 PRO HD2 H 3.769 . 2 382 39 39 PRO HD3 H 3.565 . 2 383 39 39 PRO C C 176.647 . 1 384 39 39 PRO CA C 62.130 . 1 385 39 39 PRO CB C 32.686 . 1 386 39 39 PRO CG C 27.353 . 1 387 39 39 PRO CD C 50.373 . 1 388 40 40 GLU H H 8.631 . 1 389 40 40 GLU HA H 4.485 . 1 390 40 40 GLU HB2 H 1.865 . 1 391 40 40 GLU HB3 H 1.865 . 1 392 40 40 GLU HG2 H 2.391 . 1 393 40 40 GLU HG3 H 2.391 . 1 394 40 40 GLU CA C 55.067 . 1 395 40 40 GLU CB C 29.310 . 1 396 40 40 GLU N N 122.240 . 1 397 41 41 PRO HA H 3.869 . 1 398 41 41 PRO HB2 H 2.323 . 2 399 41 41 PRO HB3 H 1.897 . 2 400 41 41 PRO HG2 H 2.062 . 1 401 41 41 PRO HG3 H 2.062 . 1 402 41 41 PRO HD2 H 3.861 . 2 403 41 41 PRO HD3 H 3.773 . 2 404 41 41 PRO C C 176.908 . 1 405 41 41 PRO CA C 64.772 . 1 406 41 41 PRO CB C 32.172 . 1 407 41 41 PRO CG C 27.606 . 1 408 41 41 PRO CD C 50.698 . 1 409 42 42 ASP H H 8.486 . 1 410 42 42 ASP HA H 4.456 . 1 411 42 42 ASP HB2 H 2.795 . 2 412 42 42 ASP HB3 H 2.736 . 2 413 42 42 ASP C C 175.265 . 1 414 42 42 ASP CA C 54.480 . 1 415 42 42 ASP CB C 40.139 . 1 416 42 42 ASP N N 114.895 . 1 417 43 43 GLN H H 7.280 . 1 418 43 43 GLN HA H 4.420 . 1 419 43 43 GLN HB2 H 2.106 . 2 420 43 43 GLN HB3 H 1.887 . 2 421 43 43 GLN HG2 H 2.312 . 1 422 43 43 GLN HG3 H 2.312 . 1 423 43 43 GLN HE21 H 7.626 . 2 424 43 43 GLN HE22 H 6.862 . 2 425 43 43 GLN CA C 54.877 . 1 426 43 43 GLN CB C 30.219 . 1 427 43 43 GLN CG C 33.257 . 1 428 43 43 GLN N N 118.523 . 1 429 43 43 GLN NE2 N 112.691 . 1 430 44 44 ARG H H 8.207 . 1 431 44 44 ARG HA H 4.206 . 1 432 44 44 ARG HB2 H 2.054 . 1 433 44 44 ARG HB3 H 2.054 . 1 434 44 44 ARG HG2 H 1.751 . 1 435 44 44 ARG HG3 H 1.751 . 1 436 44 44 ARG HD2 H 3.232 . 2 437 44 44 ARG HD3 H 3.536 . 2 438 44 44 ARG C C 175.581 . 1 439 44 44 ARG CA C 58.285 . 1 440 44 44 ARG CB C 32.175 . 1 441 44 44 ARG CG C 29.877 . 1 442 44 44 ARG CD C 43.504 . 1 443 44 44 ARG N N 120.127 . 1 444 45 45 LYS H H 7.909 . 1 445 45 45 LYS HA H 3.985 . 1 446 45 45 LYS HB2 H 0.477 . 2 447 45 45 LYS HB3 H 1.351 . 2 448 45 45 LYS HG2 H 0.539 . 2 449 45 45 LYS HG3 H -0.003 . 2 450 45 45 LYS HD2 H 0.943 . 2 451 45 45 LYS HD3 H 0.768 . 2 452 45 45 LYS HE2 H 2.225 . 1 453 45 45 LYS HE3 H 2.225 . 1 454 45 45 LYS C C 174.753 . 1 455 45 45 LYS CA C 56.378 . 1 456 45 45 LYS CB C 32.190 . 1 457 45 45 LYS CG C 24.554 . 1 458 45 45 LYS CD C 29.203 . 1 459 45 45 LYS CE C 41.834 . 1 460 45 45 LYS N N 118.935 . 1 461 46 46 VAL H H 8.574 . 1 462 46 46 VAL HA H 3.870 . 1 463 46 46 VAL HB H 0.164 . 1 464 46 46 VAL HG1 H 0.503 . 2 465 46 46 VAL HG2 H 0.501 . 2 466 46 46 VAL C C 173.589 . 1 467 46 46 VAL CA C 60.777 . 1 468 46 46 VAL CB C 32.263 . 1 469 46 46 VAL CG1 C 23.559 . 2 470 46 46 VAL CG2 C 21.145 . 1 471 46 46 VAL N N 130.468 . 1 472 47 47 THR H H 8.098 . 1 473 47 47 THR HA H 4.864 . 1 474 47 47 THR HB H 3.726 . 1 475 47 47 THR HG2 H 0.880 . 1 476 47 47 THR C C 173.666 . 1 477 47 47 THR CA C 61.070 . 1 478 47 47 THR CB C 69.693 . 1 479 47 47 THR CG2 C 21.483 . 1 480 47 47 THR N N 120.392 . 1 481 48 48 CYS H H 8.928 . 1 482 48 48 CYS HA H 4.581 . 1 483 48 48 CYS HB2 H 3.499 . 2 484 48 48 CYS HB3 H 3.150 . 2 485 48 48 CYS C C 174.212 . 1 486 48 48 CYS CA C 59.848 . 1 487 48 48 CYS CB C 29.425 . 1 488 48 48 CYS N N 130.472 . 1 489 49 49 GLU H H 7.552 . 1 490 49 49 GLU HA H 4.647 . 1 491 49 49 GLU HB2 H 2.003 . 2 492 49 49 GLU HB3 H 1.968 . 2 493 49 49 GLU HG2 H 2.143 . 1 494 49 49 GLU HG3 H 2.143 . 1 495 49 49 GLU C C 175.297 . 1 496 49 49 GLU CA C 55.852 . 1 497 49 49 GLU CB C 31.404 . 1 498 49 49 GLU CG C 35.186 . 1 499 49 49 GLU N N 128.705 . 1 500 50 50 GLY H H 8.459 . 1 501 50 50 GLY HA2 H 4.128 . 2 502 50 50 GLY HA3 H 3.916 . 2 503 50 50 GLY C C 174.247 . 1 504 50 50 GLY CA C 45.243 . 1 505 50 50 GLY N N 109.953 . 1 506 51 51 GLY H H 8.548 . 1 507 51 51 GLY HA2 H 3.991 . 1 508 51 51 GLY HA3 H 3.991 . 1 509 51 51 GLY C C 174.381 . 1 510 51 51 GLY CA C 45.714 . 1 511 51 51 GLY N N 109.074 . 1 512 52 52 ASN H H 8.740 . 1 513 52 52 ASN HA H 4.566 . 1 514 52 52 ASN HB2 H 2.928 . 2 515 52 52 ASN HB3 H 2.849 . 2 516 52 52 ASN HD21 H 7.620 . 2 517 52 52 ASN HD22 H 6.945 . 2 518 52 52 ASN C C 175.686 . 1 519 52 52 ASN CA C 53.618 . 1 520 52 52 ASN CB C 38.009 . 1 521 52 52 ASN N N 118.415 . 1 522 52 52 ASN ND2 N 112.520 . 1 523 53 53 GLY H H 8.367 . 1 524 53 53 GLY HA2 H 4.101 . 2 525 53 53 GLY HA3 H 3.808 . 2 526 53 53 GLY C C 174.323 . 1 527 53 53 GLY CA C 45.675 . 1 528 53 53 GLY N N 107.419 . 1 529 54 54 LEU H H 7.703 . 1 530 54 54 LEU HA H 4.405 . 1 531 54 54 LEU HB2 H 1.671 . 2 532 54 54 LEU HB3 H 1.542 . 2 533 54 54 LEU HG H 1.612 . 1 534 54 54 LEU HD1 H 0.946 . 2 535 54 54 LEU HD2 H 0.868 . 2 536 54 54 LEU C C 177.359 . 1 537 54 54 LEU CA C 55.162 . 1 538 54 54 LEU CB C 42.742 . 1 539 54 54 LEU CG C 27.017 . 1 540 54 54 LEU CD1 C 25.061 . 2 541 54 54 LEU CD2 C 23.482 . 2 542 54 54 LEU N N 121.020 . 1 543 55 55 GLY H H 8.265 . 1 544 55 55 GLY HA2 H 4.112 . 1 545 55 55 GLY HA3 H 4.112 . 1 546 55 55 GLY C C 174.453 . 1 547 55 55 GLY CA C 45.438 . 1 548 55 55 GLY N N 109.910 . 1 549 56 56 CYS H H 10.071 . 1 550 56 56 CYS HA H 4.928 . 1 551 56 56 CYS HB2 H 3.182 . 2 552 56 56 CYS HB3 H 3.044 . 2 553 56 56 CYS C C 177.993 . 1 554 56 56 CYS CA C 59.541 . 1 555 56 56 CYS CB C 32.099 . 1 556 56 56 CYS N N 124.504 . 1 557 57 57 GLY H H 9.174 . 1 558 57 57 GLY HA2 H 4.313 . 2 559 57 57 GLY HA3 H 3.668 . 2 560 57 57 GLY C C 173.686 . 1 561 57 57 GLY CA C 45.860 . 1 562 57 57 GLY N N 114.428 . 1 563 58 58 PHE H H 9.036 . 1 564 58 58 PHE HA H 4.623 . 1 565 58 58 PHE HB2 H 3.516 . 2 566 58 58 PHE HB3 H 3.066 . 2 567 58 58 PHE HD1 H 7.311 . 1 568 58 58 PHE HD2 H 7.311 . 1 569 58 58 PHE HE1 H 7.286 . 1 570 58 58 PHE HE2 H 7.286 . 1 571 58 58 PHE C C 173.896 . 1 572 58 58 PHE CA C 58.969 . 1 573 58 58 PHE CB C 41.132 . 1 574 58 58 PHE N N 125.130 . 1 575 59 59 ALA H H 7.570 . 1 576 59 59 ALA HA H 5.486 . 1 577 59 59 ALA HB H 1.101 . 1 578 59 59 ALA C C 176.469 . 1 579 59 59 ALA CA C 49.817 . 1 580 59 59 ALA CB C 19.826 . 1 581 59 59 ALA N N 128.638 . 1 582 60 60 PHE H H 9.387 . 1 583 60 60 PHE HA H 5.204 . 1 584 60 60 PHE HB2 H 2.709 . 2 585 60 60 PHE HB3 H 2.425 . 2 586 60 60 PHE HD1 H 6.999 . 1 587 60 60 PHE HD2 H 6.999 . 1 588 60 60 PHE HE1 H 7.078 . 1 589 60 60 PHE HE2 H 7.078 . 1 590 60 60 PHE C C 172.955 . 1 591 60 60 PHE CA C 54.353 . 1 592 60 60 PHE CB C 42.246 . 1 593 60 60 PHE CD1 C 133.606 . 1 594 60 60 PHE CD2 C 133.606 . 1 595 60 60 PHE N N 121.410 . 1 596 61 61 CYS H H 8.772 . 1 597 61 61 CYS HA H 4.754 . 1 598 61 61 CYS HB2 H 3.695 . 2 599 61 61 CYS HB3 H 2.522 . 2 600 61 61 CYS C C 177.353 . 1 601 61 61 CYS CA C 58.032 . 1 602 61 61 CYS CB C 32.242 . 1 603 61 61 CYS N N 120.610 . 1 604 62 62 ARG H H 9.535 . 1 605 62 62 ARG HA H 4.027 . 1 606 62 62 ARG HB2 H 1.819 . 2 607 62 62 ARG HB3 H 1.786 . 2 608 62 62 ARG HG2 H 1.557 . 1 609 62 62 ARG HG3 H 1.557 . 1 610 62 62 ARG HD2 H 3.184 . 2 611 62 62 ARG HD3 H 3.239 . 2 612 62 62 ARG C C 175.657 . 1 613 62 62 ARG CA C 59.330 . 1 614 62 62 ARG CB C 31.196 . 1 615 62 62 ARG CG C 26.907 . 1 616 62 62 ARG CD C 44.038 . 1 617 62 62 ARG N N 130.041 . 1 618 63 63 GLU H H 8.721 . 1 619 63 63 GLU HA H 4.394 . 1 620 63 63 GLU HB2 H 2.328 . 1 621 63 63 GLU HB3 H 2.328 . 1 622 63 63 GLU HG2 H 2.315 . 1 623 63 63 GLU HG3 H 2.315 . 1 624 63 63 GLU C C 177.341 . 1 625 63 63 GLU CA C 58.404 . 1 626 63 63 GLU CB C 30.501 . 1 627 63 63 GLU CG C 35.825 . 1 628 63 63 GLU N N 118.534 . 1 629 64 64 CYS H H 8.050 . 1 630 64 64 CYS HA H 4.962 . 1 631 64 64 CYS HB2 H 3.415 . 2 632 64 64 CYS HB3 H 3.126 . 2 633 64 64 CYS C C 176.019 . 1 634 64 64 CYS CA C 58.858 . 1 635 64 64 CYS CB C 32.103 . 1 636 64 64 CYS N N 116.495 . 1 637 65 65 LYS H H 8.489 . 1 638 65 65 LYS HA H 4.191 . 1 639 65 65 LYS HB2 H 1.766 . 2 640 65 65 LYS HB3 H 1.630 . 2 641 65 65 LYS HG2 H 1.450 . 2 642 65 65 LYS HG3 H 1.428 . 2 643 65 65 LYS HE2 H 3.044 . 1 644 65 65 LYS HE3 H 3.044 . 1 645 65 65 LYS C C 174.742 . 1 646 65 65 LYS CA C 58.883 . 1 647 65 65 LYS CB C 28.865 . 1 648 65 65 LYS CG C 25.673 . 1 649 65 65 LYS CD C 26.049 . 1 650 65 65 LYS CE C 42.739 . 1 651 65 65 LYS N N 117.320 . 1 652 66 66 GLU H H 8.272 . 1 653 66 66 GLU HA H 4.721 . 1 654 66 66 GLU HB2 H 2.373 . 1 655 66 66 GLU HB3 H 2.373 . 1 656 66 66 GLU HG2 H 2.485 . 1 657 66 66 GLU HG3 H 2.485 . 1 658 66 66 GLU C C 175.422 . 1 659 66 66 GLU CA C 55.285 . 1 660 66 66 GLU CB C 31.666 . 1 661 66 66 GLU CG C 36.542 . 1 662 66 66 GLU N N 117.719 . 1 663 67 67 ALA H H 8.766 . 1 664 67 67 ALA HA H 4.177 . 1 665 67 67 ALA HB H 1.611 . 1 666 67 67 ALA C C 177.459 . 1 667 67 67 ALA CA C 53.019 . 1 668 67 67 ALA CB C 18.548 . 1 669 67 67 ALA N N 120.597 . 1 670 68 68 TYR H H 8.061 . 1 671 68 68 TYR HA H 4.531 . 1 672 68 68 TYR HB2 H 3.068 . 2 673 68 68 TYR HB3 H 2.954 . 2 674 68 68 TYR HD1 H 6.708 . 1 675 68 68 TYR HD2 H 6.708 . 1 676 68 68 TYR HE1 H 6.520 . 1 677 68 68 TYR HE2 H 6.520 . 1 678 68 68 TYR CA C 58.242 . 1 679 68 68 TYR CB C 38.531 . 1 680 68 68 TYR CD1 C 131.637 . 1 681 68 68 TYR CD2 C 131.637 . 1 682 68 68 TYR CE1 C 119.132 . 1 683 68 68 TYR CE2 C 119.132 . 1 684 68 68 TYR N N 120.592 . 1 685 69 69 HIS HA H 4.643 . 1 686 69 69 HIS HB2 H 3.011 . 2 687 69 69 HIS HB3 H 3.122 . 2 688 69 69 HIS HD2 H 6.696 . 4 689 69 69 HIS HE1 H 7.768 . 4 690 69 69 HIS C C 173.158 . 1 691 69 69 HIS CA C 51.310 . 1 692 69 69 HIS CB C 32.038 . 1 693 69 69 HIS CD2 C 126.993 . 1 694 69 69 HIS CE1 C 140.198 . 1 695 70 70 GLU H H 8.796 . 1 696 70 70 GLU HA H 4.238 . 1 697 70 70 GLU HB2 H 2.140 . 2 698 70 70 GLU HB3 H 1.837 . 2 699 70 70 GLU HG2 H 2.388 . 2 700 70 70 GLU HG3 H 2.266 . 2 701 70 70 GLU C C 178.838 . 1 702 70 70 GLU CA C 55.450 . 1 703 70 70 GLU CB C 30.527 . 1 704 70 70 GLU CG C 35.829 . 1 705 70 70 GLU N N 120.194 . 1 706 71 71 GLY H H 8.876 . 1 707 71 71 GLY HA2 H 4.082 . 2 708 71 71 GLY HA3 H 3.910 . 2 709 71 71 GLY C C 173.634 . 1 710 71 71 GLY CA C 45.615 . 1 711 71 71 GLY N N 111.118 . 1 712 72 72 GLU H H 8.391 . 1 713 72 72 GLU HA H 4.360 . 1 714 72 72 GLU HB2 H 2.114 . 2 715 72 72 GLU HB3 H 1.908 . 2 716 72 72 GLU HG2 H 2.376 . 1 717 72 72 GLU HG3 H 2.376 . 1 718 72 72 GLU C C 177.319 . 1 719 72 72 GLU CA C 56.571 . 1 720 72 72 GLU CB C 30.411 . 1 721 72 72 GLU CG C 36.411 . 1 722 72 72 GLU N N 118.939 . 1 723 73 73 CYS H H 8.574 . 1 724 73 73 CYS HA H 3.770 . 1 725 73 73 CYS HB2 H 2.909 . 2 726 73 73 CYS HB3 H 2.716 . 2 727 73 73 CYS C C 176.052 . 1 728 73 73 CYS CA C 60.416 . 1 729 73 73 CYS CB C 30.793 . 1 730 73 73 CYS N N 123.479 . 1 731 74 74 SER H H 8.541 . 1 732 74 74 SER HA H 4.288 . 1 733 74 74 SER HB2 H 3.784 . 1 734 74 74 SER HB3 H 3.784 . 1 735 74 74 SER C C 174.140 . 1 736 74 74 SER CA C 58.591 . 1 737 74 74 SER CB C 63.626 . 1 738 74 74 SER N N 117.297 . 1 739 75 75 ALA H H 8.092 . 1 740 75 75 ALA HA H 4.312 . 1 741 75 75 ALA HB H 1.331 . 1 742 75 75 ALA C C 177.173 . 1 743 75 75 ALA CA C 52.403 . 1 744 75 75 ALA CB C 19.546 . 1 745 75 75 ALA N N 125.952 . 1 746 76 76 VAL H H 7.934 . 1 747 76 76 VAL HA H 4.028 . 1 748 76 76 VAL HB H 1.954 . 1 749 76 76 VAL HG1 H 0.846 . 2 750 76 76 VAL HG2 H 0.836 . 2 751 76 76 VAL C C 175.784 . 1 752 76 76 VAL CA C 62.265 . 1 753 76 76 VAL CB C 32.893 . 1 754 76 76 VAL CG1 C 20.463 . 2 755 76 76 VAL CG2 C 21.127 . 2 756 76 76 VAL N N 118.959 . 1 757 77 77 PHE H H 8.283 . 1 758 77 77 PHE HA H 4.670 . 1 759 77 77 PHE HB2 H 3.120 . 2 760 77 77 PHE HB3 H 3.017 . 2 761 77 77 PHE HD1 H 7.252 . 1 762 77 77 PHE HD2 H 7.252 . 1 763 77 77 PHE C C 175.335 . 1 764 77 77 PHE CA C 57.588 . 1 765 77 77 PHE CB C 39.899 . 1 766 77 77 PHE CD1 C 133.045 . 1 767 77 77 PHE CD2 C 133.045 . 1 768 77 77 PHE N N 124.298 . 1 769 78 78 GLU H H 8.262 . 1 770 78 78 GLU HA H 4.251 . 1 771 78 78 GLU HB2 H 1.859 . 1 772 78 78 GLU HB3 H 1.859 . 1 773 78 78 GLU HG2 H 2.235 . 1 774 78 78 GLU HG3 H 2.235 . 1 775 78 78 GLU C C 175.451 . 1 776 78 78 GLU CA C 56.179 . 1 777 78 78 GLU CB C 30.676 . 1 778 78 78 GLU CG C 36.121 . 1 779 78 78 GLU N N 123.482 . 1 780 79 79 ALA H H 8.279 . 1 781 79 79 ALA HA H 4.341 . 1 782 79 79 ALA HB H 1.415 . 1 783 79 79 ALA C C 176.767 . 1 784 79 79 ALA CA C 52.512 . 1 785 79 79 ALA CB C 19.493 . 1 786 79 79 ALA N N 126.363 . 1 787 80 80 SER H H 7.960 . 1 788 80 80 SER HA H 4.253 . 1 789 80 80 SER HB2 H 3.838 . 1 790 80 80 SER HB3 H 3.838 . 1 791 80 80 SER CA C 59.938 . 1 792 80 80 SER CB C 65.031 . 1 793 80 80 SER N N 121.409 . 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 7 8 '688,689' stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details . _Experiment_label '2D NOESY' _Number_of_spectral_dimensions 2 _Sample_label $sample_2 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_1 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_1 >> _Spectral_peak_list.Entry_ID 15074 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $sample_2 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 11 >> _Spectral_peak_list.Experiment_name '2D NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Details . >> _Spectral_peak_list.Text_data_format text >> _Spectral_peak_list.Text_data >>; >># Number of dimensions 2 >>#FORMAT xeasy2D >>#INAME 1 h >>#INAME 2 H >>#CYANAFORMAT hH >> 1 7.800 3.765 1 ? 0.000e+00 0.00e+00 e 0 6918 7306 0 >> 2 7.800 2.930 1 ? 0.000e+00 0.00e+00 e 0 6918 7309 0 >> 3 6.554 6.721 1 ? 0.000e+00 0.00e+00 e 0 6812 6816 0 >> 4 6.554 4.005 1 ? 0.000e+00 0.00e+00 e 0 6812 4506 0 >> 5 6.545 2.523 1 ? 0.000e+00 0.00e+00 e 0 6812 6108 0 >> 6 6.546 2.281 1 ? 5.375e-01 0.00e+00 e 0 6812 7012 0 >> 7 6.547 2.079 1 ? 0.000e+00 0.00e+00 e 0 6812 4409 0 >> 8 6.554 0.516 1 ? 0.000e+00 0.00e+00 e 0 6812 4610 0 >> 9 6.716 6.551 1 ? 0.000e+00 0.00e+00 e 0 6823 6812 0 >> 10 6.729 4.004 1 ? 0.000e+00 0.00e+00 e 0 6816 4506 0 >> 11 6.729 3.714 1 ? 0.000e+00 0.00e+00 e 0 6816 6109 0 >> 12 6.728 3.567 1 ? 0.000e+00 0.00e+00 e 0 0 0 0 >> 13 6.728 3.137 1 ? 0.000e+00 0.00e+00 e 0 6917 6908 0 >> 14 6.730 3.018 1 ? 0.000e+00 0.00e+00 e 0 6917 6909 0 >> 15 6.730 2.529 1 ? 0.000e+00 0.00e+00 e 0 6816 6108 0 >> 16 6.730 2.397 1 ? 0.000e+00 0.00e+00 e 0 6823 7013 0 >> 17 6.721 2.279 1 ? 2.246e-01 0.00e+00 e 0 6823 7012 0 >> 18 6.719 0.531 1 ? 0.000e+00 0.00e+00 e 0 6816 4610 0 >> 19 7.002 7.341 1 ? 0.000e+00 0.00e+00 e 0 6016 5816 0 >> 20 7.012 7.286 1 ? 0.000e+00 0.00e+00 e 0 6016 5812 0 >> 21 7.013 7.074 1 ? 0.000e+00 0.00e+00 e 0 6024 6012 0 >> 22 7.011 5.205 1 ? 0.000e+00 0.00e+00 e 0 6016 6006 0 >> 23 7.013 4.200 1 ? 0.000e+00 0.00e+00 e 0 6024 6506 0 >> 24 7.015 4.044 1 ? 0.000e+00 0.00e+00 e 0 6024 6206 0 >> 25 7.013 2.734 1 ? 0.000e+00 0.00e+00 e 0 6024 6009 0 >> 26 7.018 2.444 1 ? 0.000e+00 0.00e+00 e 0 6016 6008 0 >> 27 7.013 1.137 1 ? 0.000e+00 0.00e+00 e 0 6016 5907 0 >> 28 7.015 1.056 1 ? 0.000e+00 0.00e+00 e 0 6024 2610 0 >> 29 7.012 0.522 1 ? 9.425e-02 0.00e+00 e 0 6016 4609 0 >> 30 7.071 7.009 1 ? 0.000e+00 0.00e+00 e 0 6012 6024 0 >> 31 7.075 4.164 1 ? 6.786e-01 0.00e+00 e 0 6012 6506 0 >> 32 7.079 4.044 1 ? 2.946e+00 0.00e+00 e 0 6012 6206 0 >> 33 7.076 1.135 1 ? 0.000e+00 0.00e+00 e 0 6012 5907 0 >> 34 7.070 1.055 1 ? 3.058e-01 0.00e+00 e 0 6012 2609 0 >> 35 7.073 0.522 1 ? 4.774e+00 0.00e+00 e 0 6012 4609 0 >> 36 7.291 7.002 1 ? 7.901e-01 0.00e+00 e 0 5816 6016 0 >> 37 7.291 4.187 1 ? 4.700e+00 0.00e+00 e 0 5812 6706 0 >> 38 7.290 2.735 1 ? 6.519e-01 0.00e+00 e 0 5812 6009 0 >> 39 7.287 2.446 1 ? 1.835e+00 0.00e+00 e 0 5812 6008 0 >> 40 7.293 1.631 1 ? 9.290e+00 0.00e+00 e 0 5812 6707 0 >> 41 7.291 1.502 1 ? 1.487e-01 0.00e+00 e 0 5812 0 0 >> 42 7.344 7.011 1 ? 2.678e+00 0.00e+00 e 0 5816 6016 0 >> 43 7.341 4.642 1 ? 1.375e-01 0.00e+00 e 0 5824 5806 0 >> 44 7.341 3.534 1 ? 3.354e+00 0.00e+00 e 0 5816 5809 0 >> 45 7.341 3.074 1 ? 2.460e-01 0.00e+00 e 0 5824 5808 0 >> 46 7.341 1.514 1 ? 9.150e-02 0.00e+00 e 0 5816 0 0 >> 47 5.204 7.013 1 ? 2.178e+00 0.00e+00 e 0 6006 6016 0 >> 48 5.208 4.187 1 ? 4.922e+00 0.00e+00 e 0 6006 6706 0 >> 49 5.209 2.734 1 ? 5.537e+00 0.00e+00 e 0 6006 6009 0 >> 50 5.208 2.433 1 ? 6.932e+00 0.00e+00 e 0 6006 6008 0 >> 51 5.206 1.635 1 ? 1.313e+00 0.00e+00 e 0 6006 6707 0 >> 52 5.497 4.883 1 ? 5.529e+00 0.00e+00 e 0 5906 4706 0 >> 53 5.505 1.106 1 ? 1.081e+01 0.00e+00 e 0 5906 5907 0 >> 54 5.498 0.903 1 ? 8.120e-01 0.00e+00 e 0 5906 4709 0 >> 55 5.068 4.435 1 ? 1.803e+00 0.00e+00 e 0 2706 3607 0 >> 56 5.213 7.317 1 ? 1.571e-01 0.00e+00 e 0 6006 5812 0 >> 57 7.344 4.197 1 ? 1.378e+00 0.00e+00 e 0 5816 6706 0 >> 58 7.266 3.135 1 ? 7.209e-01 0.00e+00 e 0 7724 7709 0 >> 59 7.264 3.041 1 ? 9.508e-01 0.00e+00 e 0 7724 7708 0 >> 60 7.281 3.522 1 ? 1.050e-02 0.00e+00 e 0 5812 5809 0 >> 61 2.914 3.769 1 ? 3.193e+00 0.00e+00 e 0 7309 7306 0 >> 62 2.711 3.777 1 ? 3.154e+00 0.00e+00 e 0 7308 7306 0 >> 63 2.936 2.710 1 ? 1.678e+01 0.00e+00 e 0 7309 7308 0 >> 64 2.711 7.008 1 ? 2.628e-01 0.00e+00 e 0 6009 6024 0 >> 65 2.722 5.208 1 ? 4.853e+00 0.00e+00 e 0 6009 6006 0 >> 66 2.445 5.207 1 ? 6.269e+00 0.00e+00 e 0 6008 6006 0 >> 67 2.440 7.008 1 ? 2.728e-01 0.00e+00 e 0 6008 6016 0 >> 68 2.916 7.798 1 ? 3.482e-01 0.00e+00 e 0 7309 6918 0 >> 69 2.709 3.125 1 ? 2.962e+00 0.00e+00 e 0 7308 6408 0 >> 70 3.759 2.934 1 ? 2.111e+00 0.00e+00 e 0 7306 7309 0 >> 71 3.782 2.728 1 ? 1.145e+00 0.00e+00 e 0 7306 7308 0 >> 72 3.142 4.975 1 ? 5.369e+00 0.00e+00 e 0 6408 6406 0 >> 73 3.418 4.976 1 ? 4.138e+00 0.00e+00 e 0 6409 6406 0 >> 74 3.441 3.140 1 ? 8.961e+00 0.00e+00 e 0 6409 6408 0 >> 75 3.143 3.429 1 ? 1.832e+01 0.00e+00 e 0 6408 6409 0 >> 76 4.977 3.140 1 ? 6.747e+00 0.00e+00 e 0 6406 6408 0 >> 77 4.977 3.425 1 ? 7.178e+00 0.00e+00 e 0 6406 6409 0 >> 78 3.061 2.572 1 ? 1.257e+01 0.00e+00 e 0 3309 3308 0 >> 79 2.569 3.058 1 ? 2.444e+01 0.00e+00 e 0 3308 3309 0 >> 80 2.578 4.531 1 ? 3.793e+00 0.00e+00 e 0 3308 3306 0 >> 81 4.533 2.568 1 ? 5.903e+00 0.00e+00 e 0 3306 3308 0 >> 82 3.510 3.159 1 ? 1.910e+01 0.00e+00 e 0 4809 4808 0 >> 83 3.149 3.509 1 ? 3.111e+01 0.00e+00 e 0 4808 4809 0 >> 84 3.067 4.543 1 ? 4.234e+00 0.00e+00 e 0 3309 3306 0 >> 85 7.344 2.449 1 ? 1.068e+00 0.00e+00 e 0 5816 6008 0 >> 86 6.724 1.105 1 ? 5.439e-01 0.00e+00 e 0 6816 5907 0 >> 87 7.342 5.205 1 ? 5.733e-01 0.00e+00 e 0 5816 6006 0 >> 88 7.290 5.209 1 ? 5.962e-01 0.00e+00 e 0 5812 6006 0 >> 89 6.728 7.796 1 ? 0.000e+00 0.00e+00 e 0 6917 6918 0 >> 90 6.552 1.344 1 ? 5.362e-01 0.00e+00 e 0 6812 4508 0 >> 91 6.819 4.551 1 ? 3.307e-01 0.00e+00 e 0 1412 1406 0 >> 92 6.818 2.960 1 ? 6.948e-01 0.00e+00 e 0 1412 1408 0 >> 93 7.116 2.965 1 ? 1.356e+01 0.00e+00 e 0 1423 1408 0 >> 94 7.118 3.119 1 ? 8.527e+00 0.00e+00 e 0 1416 1409 0 >> 95 7.118 4.554 1 ? 2.864e-01 0.00e+00 e 0 1423 1406 0 >> 96 7.101 4.547 1 ? 1.545e+00 0.00e+00 e 0 1116 1106 0 >> 97 7.098 3.089 1 ? 3.732e+00 0.00e+00 e 0 1123 1109 0 >> 98 7.098 2.966 1 ? 3.316e+00 0.00e+00 e 0 1116 1108 0 >> 99 7.147 4.626 1 ? 1.825e+00 0.00e+00 e 0 816 806 0 >> 100 7.147 3.120 1 ? 6.807e+00 0.00e+00 e 0 823 809 0 >> 101 7.147 2.940 1 ? 9.432e+00 0.00e+00 e 0 823 808 0 >> 102 7.143 6.826 1 ? 6.524e+00 0.00e+00 e 0 823 812 0 >> 103 7.102 6.811 1 ? 3.860e+01 0.00e+00 e 0 1416 1412 0 >> 104 6.828 7.140 1 ? 3.946e+01 0.00e+00 e 0 812 816 0 >> 105 6.820 7.110 1 ? 4.042e+01 0.00e+00 e 0 1412 1416 0 >> 106 6.810 7.114 1 ? 4.462e+01 0.00e+00 e 0 1112 1116 0 >> 107 7.114 6.823 1 ? 3.240e+01 0.00e+00 e 0 1123 1112 0 >> 108 5.083 1.508 1 ? 1.497e+00 0.00e+00 e 0 2706 2709 0 >> 109 5.068 1.255 1 ? 1.826e+00 0.00e+00 e 0 2706 2708 0 >> 110 5.083 0.793 1 ? 4.997e+00 0.00e+00 e 0 2706 2714 0 >> 111 4.981 3.788 1 ? 1.623e+00 0.00e+00 e 0 3806 3916 0 >> 112 4.988 3.580 1 ? 1.356e+00 0.00e+00 e 0 3806 3915 0 >> 113 4.988 1.718 1 ? 1.179e+00 0.00e+00 e 0 3806 3809 0 >> 114 4.989 1.454 1 ? 3.637e-01 0.00e+00 e 0 3806 3808 0 >> 115 4.990 0.885 1 ? 2.567e+00 0.00e+00 e 0 3806 3813 0 >> 116 4.941 3.197 1 ? 6.069e+00 0.00e+00 e 0 5606 5609 0 >> 117 4.941 3.045 1 ? 5.653e+00 0.00e+00 e 0 5606 5608 0 >> 118 1.134 0.526 1 ? 2.980e-02 0.00e+00 e 0 5907 4609 0 >> 119 1.100 5.499 1 ? 7.645e+00 0.00e+00 e 0 5907 5906 0 >> 120 1.109 4.894 1 ? 1.231e+00 0.00e+00 e 0 5907 4706 0 >> 121 1.107 2.239 1 ? 4.140e+00 0.00e+00 e 0 5907 4522 0 >> 122 1.130 7.068 1 ? 9.000e-02 0.00e+00 e 0 5907 6012 0 >> 123 1.134 7.013 1 ? 4.650e-02 0.00e+00 e 0 5907 6016 0 >> 124 7.017 0.198 1 ? 6.029e-01 0.00e+00 e 0 6016 4608 0 >> 125 7.283 4.645 1 ? 0.000e+00 0.00e+00 e 0 5812 5806 0 >> 126 5.072 3.480 1 ? 0.000e+00 0.00e+00 e 0 2706 3606 0 >> 127 5.072 1.640 1 ? 0.000e+00 0.00e+00 e 0 2706 2712 0 >> 128 7.006 5.510 1 ? 0.000e+00 0.00e+00 e 0 6016 5906 0 >> 129 7.801 2.719 1 ? 0.000e+00 0.00e+00 e 0 6918 7308 0 >>130 7.799 4.361 1 ? 0.000e+00 0.00e+00 e 0 6918 7206 0 >>; >> >>save_ >> ; save_ save_spectral_peak_list_2 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-15N NOESY' _Number_of_spectral_dimensions 3 _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_2 >> _Spectral_peak_list.Entry_ID 15074 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 12 >> _Spectral_peak_list.Experiment_name '3D 1H-15N 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 >>#FORMAT xeasy3D >>#INAME 1 h >>#INAME 2 H >>#INAME 3 N >>#CYANAFORMAT hHN >> 1 4.938 10.063 124.709 1 ? 1.377e+00 0.00e+00 e 0 5606 5604 5603 0 >> 2 4.113 10.063 124.709 1 ? 7.828e+00 0.00e+00 e 0 5506 5604 5603 0 >> 3 3.487 10.067 124.709 1 ? 1.101e+00 0.00e+00 e 0 4809 5604 5603 0 >> 4 3.180 10.061 124.709 1 ? 2.063e+00 0.00e+00 e 0 5609 5604 5603 0 >> 5 3.025 10.063 124.709 1 ? 2.267e+00 0.00e+00 e 0 5608 5604 5603 0 >> 6 8.264 10.063 124.709 1 ? 2.003e-01 0.00e+00 e 0 5504 5604 5603 0 >> 7 4.275 8.281 126.355 1 ? 3.041e+00 0.00e+00 e 0 7806 7904 7903 0 >> 8 1.859 8.259 123.475 1 ? 9.687e-01 0.00e+00 e 0 7808 7804 7803 0 >> 9 4.644 8.260 123.475 1 ? 3.882e+00 0.00e+00 e 0 7706 7804 7803 0 >> 10 4.251 8.258 123.475 1 ? 1.983e+00 0.00e+00 e 0 7806 7804 7803 0 >> 11 7.912 8.283 124.298 1 ? 6.666e-01 0.00e+00 e 0 7604 7704 7703 0 >> 12 4.035 8.283 124.298 1 ? 6.093e+00 0.00e+00 e 0 7606 7704 7703 0 >> 13 3.111 8.282 124.298 1 ? 3.156e+00 0.00e+00 e 0 7709 7704 7703 0 >> 14 3.023 8.283 124.298 1 ? 2.694e+00 0.00e+00 e 0 7708 7704 7703 0 >> 15 1.961 8.286 124.298 1 ? 1.085e+00 0.00e+00 e 0 7608 7704 7703 0 >> 16 0.840 8.285 124.298 1 ? 2.637e+00 0.00e+00 e 0 7609 7704 7703 0 >> 17 4.300 7.938 118.949 1 ? 8.881e+00 0.00e+00 e 0 7506 7604 7603 0 >> 18 1.950 7.937 118.949 1 ? 5.611e+00 0.00e+00 e 0 7608 7604 7603 0 >> 19 1.318 7.936 118.949 1 ? 5.444e+00 0.00e+00 e 0 7507 7604 7603 0 >> 20 0.835 7.937 118.949 1 ? 5.942e+00 0.00e+00 e 0 7610 7604 7603 0 >> 21 8.556 8.092 125.943 1 ? 6.571e-01 0.00e+00 e 0 7404 7504 7503 0 >> 22 4.318 8.092 125.943 1 ? 2.999e+00 0.00e+00 e 0 7406 7504 7503 0 >> 23 3.764 8.090 125.943 1 ? 9.514e-01 0.00e+00 e 0 7409 7504 7503 0 >> 24 4.292 8.090 125.943 1 ? 6.713e+00 0.00e+00 e 0 7506 7504 7503 0 >> 25 1.320 8.090 125.943 1 ? 5.921e+00 0.00e+00 e 0 7507 7504 7503 0 >> 26 8.084 8.545 117.304 1 ? 1.694e+00 0.00e+00 e 0 7504 7404 7403 0 >> 27 7.793 8.549 117.304 1 ? 5.700e-02 0.00e+00 e 0 6918 7404 7403 0 >> 28 4.292 8.545 117.304 1 ? 2.511e+00 0.00e+00 e 0 7406 7404 7403 0 >> 29 3.754 8.545 117.304 1 ? 9.711e+00 0.00e+00 e 0 7408 7404 7403 0 >> 30 2.905 8.545 117.304 1 ? 2.914e+00 0.00e+00 e 0 7309 7404 7403 0 >> 31 2.692 8.546 117.304 1 ? 1.644e+00 0.00e+00 e 0 7308 7404 7403 0 >> 32 2.367 8.541 117.304 1 ? 6.620e-02 0.00e+00 e 0 7212 7404 7403 0 >> 33 1.358 8.545 117.304 1 ? 5.584e-01 0.00e+00 e 0 7507 7404 7403 0 >> 34 7.773 8.575 123.475 1 ? 2.031e+00 0.00e+00 e 0 6918 7304 7303 0 >> 35 6.678 8.570 123.475 1 ? 1.182e-01 0.00e+00 e 0 6917 7304 7303 0 >> 36 4.343 8.574 123.475 1 ? 1.202e+01 0.00e+00 e 0 7206 7304 7303 0 >> 37 3.747 8.575 123.475 1 ? 3.146e+00 0.00e+00 e 0 7306 7304 7303 0 >> 38 3.117 8.578 123.475 1 ? 6.218e-01 0.00e+00 e 0 6408 7304 7303 0 >> 39 2.896 8.572 123.475 1 ? 2.052e+00 0.00e+00 e 0 7309 7304 7303 0 >> 40 2.698 8.576 123.475 1 ? 4.046e+00 0.00e+00 e 0 7308 7304 7303 0 >> 41 2.371 8.571 123.475 1 ? 8.787e-01 0.00e+00 e 0 7212 7304 7303 0 >> 42 2.108 8.573 123.475 1 ? 3.590e+00 0.00e+00 e 0 7209 7304 7303 0 >> 43 1.921 8.573 123.475 1 ? 1.793e+00 0.00e+00 e 0 7208 7304 7303 0 >> 44 8.876 8.388 118.949 1 ? 6.417e-01 0.00e+00 e 0 7104 7204 7203 0 >> 45 4.344 8.388 118.949 1 ? 3.643e+00 0.00e+00 e 0 7206 7204 7203 0 >> 46 4.088 8.387 118.949 1 ? 8.114e+00 0.00e+00 e 0 7107 7204 7203 0 >> 47 3.910 8.387 118.949 1 ? 6.213e+00 0.00e+00 e 0 7106 7204 7203 0 >> 48 2.379 8.387 118.949 1 ? 4.321e-01 0.00e+00 e 0 7212 7204 7203 0 >> 49 2.114 8.387 118.949 1 ? 3.205e+00 0.00e+00 e 0 7209 7204 7203 0 >> 50 1.910 8.387 118.949 1 ? 6.043e+00 0.00e+00 e 0 7208 7204 7203 0 >> 51 8.376 8.878 111.133 1 ? 1.439e-01 0.00e+00 e 0 7204 7104 7103 0 >> 52 4.245 8.876 111.133 1 ? 2.057e+00 0.00e+00 e 0 7006 7104 7103 0 >> 53 4.081 8.879 111.133 1 ? 8.962e-01 0.00e+00 e 0 7107 7104 7103 0 >> 54 3.911 8.876 111.133 1 ? 2.176e+00 0.00e+00 e 0 7106 7104 7103 0 >> 55 2.140 8.874 111.133 1 ? 7.210e-01 0.00e+00 e 0 7009 7104 7103 0 >> 56 1.835 8.878 111.133 1 ? 4.826e-01 0.00e+00 e 0 7008 7104 7103 0 >> 57 4.636 8.796 120.595 1 ? 6.756e-01 0.00e+00 e 0 6906 7004 7003 0 >> 58 1.826 8.798 120.595 1 ? 2.119e-01 0.00e+00 e 0 7008 7004 7003 0 >> 59 2.128 8.797 120.184 1 ? 1.114e-01 0.00e+00 e 0 7009 7004 7003 0 >> 60 8.749 8.052 120.595 1 ? 1.270e+00 0.00e+00 e 0 6104 6804 6803 0 >> 61 7.276 8.057 120.595 1 ? 5.026e-01 0.00e+00 e 0 5812 6804 6803 0 >> 62 6.699 8.060 120.595 1 ? 8.203e-01 0.00e+00 e 0 6816 6804 6803 0 >> 63 5.190 8.055 120.595 1 ? 6.373e+00 0.00e+00 e 0 6006 6804 6803 0 >> 64 4.535 8.054 120.595 1 ? 6.690e-01 0.00e+00 e 0 6806 6804 6803 0 >> 65 4.176 8.057 120.595 1 ? 1.075e+01 0.00e+00 e 0 6706 6804 6803 0 >> 66 3.652 8.056 120.595 1 ? 1.257e-01 0.00e+00 e 0 6109 6804 6803 0 >> 67 3.068 8.060 120.595 1 ? 1.145e+00 0.00e+00 e 0 6809 6804 6803 0 >> 68 2.956 8.060 120.595 1 ? 1.576e+00 0.00e+00 e 0 6808 6804 6803 0 >> 69 2.499 8.056 120.595 1 ? 1.041e-01 0.00e+00 e 0 6108 6804 6803 0 >> 70 1.613 8.057 120.595 1 ? 5.116e+00 0.00e+00 e 0 6707 6804 6803 0 >> 71 1.076 8.048 120.595 1 ? 1.171e-01 0.00e+00 e 0 5907 6804 6803 0 >> 72 8.257 8.761 120.595 1 ? 1.377e+00 0.00e+00 e 0 6604 6104 6103 0 >> 73 8.035 8.761 120.595 1 ? 2.682e+00 0.00e+00 e 0 6804 6104 6103 0 >> 74 7.276 8.765 120.595 1 ? 8.350e-02 0.00e+00 e 0 5812 6704 6703 0 >> 75 6.992 8.761 120.595 1 ? 2.820e+00 0.00e+00 e 0 6024 6104 6103 0 >> 76 6.692 8.756 120.595 1 ? 7.838e-01 0.00e+00 e 0 6816 6104 6103 0 >> 77 5.190 8.760 120.595 1 ? 4.783e+00 0.00e+00 e 0 6006 6104 6103 0 >> 78 4.715 8.765 120.595 1 ? 1.063e+01 0.00e+00 e 0 6606 6704 6703 0 >> 79 4.173 8.764 120.595 1 ? 4.903e+00 0.00e+00 e 0 6706 6704 6703 0 >> 80 3.692 8.759 120.595 1 ? 5.334e+00 0.00e+00 e 0 6109 6104 6103 0 >> 81 2.703 8.759 120.595 1 ? 3.075e+00 0.00e+00 e 0 6009 6104 6103 0 >> 82 2.497 8.758 120.595 1 ? 1.136e+01 0.00e+00 e 0 6108 6104 6103 0 >> 83 2.385 8.762 120.595 1 ? 4.400e-01 0.00e+00 e 0 6008 6104 6103 0 >> 84 1.613 8.764 120.595 1 ? 1.084e+01 0.00e+00 e 0 6707 6704 6703 0 >> 85 8.769 8.261 117.715 1 ? 1.328e+00 0.00e+00 e 0 6104 6604 6603 0 >> 86 8.475 8.262 117.715 1 ? 1.754e+00 0.00e+00 e 0 6504 6604 6603 0 >> 87 6.978 8.259 117.715 1 ? 3.040e-01 0.00e+00 e 0 6024 6604 6603 0 >> 88 4.699 8.259 117.715 1 ? 3.149e+00 0.00e+00 e 0 6606 6604 6603 0 >> 89 4.181 8.263 117.715 1 ? 2.270e+00 0.00e+00 e 0 6506 6604 6603 0 >> 90 3.701 8.260 117.715 1 ? 8.211e-01 0.00e+00 e 0 6109 6604 6603 0 >> 91 2.453 8.261 117.715 1 ? 1.340e-01 0.00e+00 e 0 6612 6604 6603 0 >> 92 2.374 8.260 117.715 1 ? 1.271e+01 0.00e+00 e 0 6608 6604 6603 0 >> 93 1.629 8.259 117.715 1 ? 2.891e-01 0.00e+00 e 0 6508 6604 6603 0 >> 94 8.261 8.481 117.715 1 ? 1.978e+00 0.00e+00 e 0 6604 6504 6503 0 >> 95 8.031 8.483 117.715 1 ? 5.253e+00 0.00e+00 e 0 6404 6504 6503 0 >> 96 6.999 8.482 117.715 1 ? 1.015e+00 0.00e+00 e 0 6024 6504 6503 0 >> 97 4.965 8.480 117.715 1 ? 8.931e-01 0.00e+00 e 0 6406 6504 6503 0 >> 98 4.187 8.481 117.715 1 ? 7.525e+00 0.00e+00 e 0 6506 6504 6503 0 >> 99 3.680 8.484 117.715 1 ? 7.170e-02 0.00e+00 e 0 6109 6504 6503 0 >> 100 3.103 8.480 117.715 1 ? 5.910e-02 0.00e+00 e 0 6408 6504 6503 0 >> 101 2.721 8.480 117.715 1 ? 8.360e-02 0.00e+00 e 0 6009 6504 6503 0 >> 102 2.315 8.477 117.715 1 ? 9.240e-02 0.00e+00 e 0 6309 6504 6503 0 >> 103 2.017 8.483 117.715 1 ? 5.900e-02 0.00e+00 e 0 2308 6504 6503 0 >> 104 1.773 8.481 117.715 1 ? 1.741e+00 0.00e+00 e 0 6509 6504 6503 0 >> 105 1.431 8.483 117.715 1 ? 2.848e+00 0.00e+00 e 0 6512 6504 6503 0 >> 106 8.698 8.037 116.892 1 ? 4.444e+00 0.00e+00 e 0 6304 6404 6403 0 >> 107 8.482 8.038 116.892 1 ? 5.386e+00 0.00e+00 e 0 6504 6404 6403 0 >> 108 4.963 8.040 116.892 1 ? 2.503e+00 0.00e+00 e 0 6406 6404 6403 0 >> 109 4.388 8.033 116.892 1 ? 6.418e-01 0.00e+00 e 0 6306 6404 6403 0 >> 110 4.187 8.039 116.892 1 ? 1.087e+00 0.00e+00 e 0 6506 6404 6403 0 >> 111 3.688 8.034 116.892 1 ? 5.179e-01 0.00e+00 e 0 6109 6404 6403 0 >> 112 3.427 8.038 116.892 1 ? 1.477e+00 0.00e+00 e 0 6409 6404 6403 0 >> 113 3.120 8.039 116.892 1 ? 1.884e+00 0.00e+00 e 0 6408 6404 6403 0 >> 114 2.232 8.041 116.892 1 ? 3.160e-02 0.00e+00 e 0 2309 6404 6403 0 >> 115 2.059 8.036 116.892 1 ? 1.100e-01 0.00e+00 e 0 2308 6404 6403 0 >> 116 1.773 8.042 116.892 1 ? 0.000e+00 0.00e+00 e 0 0 0 0 0 >> 117 1.401 8.040 116.892 1 ? 4.927e-01 0.00e+00 e 0 6512 6404 6403 0 >> 118 9.533 8.706 118.538 1 ? 1.956e+00 0.00e+00 e 0 6204 6304 6303 0 >> 119 8.029 8.704 118.538 1 ? 4.472e+00 0.00e+00 e 0 6404 6304 6303 0 >> 120 4.396 8.702 118.538 1 ? 2.804e+00 0.00e+00 e 0 6306 6304 6303 0 >> 121 4.190 8.707 118.538 1 ? 5.399e-01 0.00e+00 e 0 6506 6304 6303 0 >> 122 4.025 8.705 118.538 1 ? 1.518e+00 0.00e+00 e 0 6206 6304 6303 0 >> 123 4.750 8.702 118.538 1 ? 9.580e-01 0.00e+00 e 0 6106 6304 6303 0 >> 124 3.215 8.699 118.538 1 ? 7.580e-02 0.00e+00 e 0 6217 6304 6303 0 >> 125 2.236 8.702 118.538 1 ? 1.643e-01 0.00e+00 e 0 2309 6304 6303 0 >> 126 2.065 8.703 118.538 1 ? 2.644e-01 0.00e+00 e 0 2308 6304 6303 0 >> 127 1.765 8.703 118.538 1 ? 2.585e+00 0.00e+00 e 0 6208 6304 6303 0 >> 128 1.546 8.702 118.538 1 ? 1.607e+00 0.00e+00 e 0 6212 6304 6303 0 >> 129 0.476 8.701 118.538 1 ? 8.530e-02 0.00e+00 e 0 4610 6304 6303 0 >> 130 8.714 9.535 130.057 1 ? 2.111e+00 0.00e+00 e 0 6304 6204 6203 0 >> 131 4.201 9.537 130.057 1 ? 8.372e-01 0.00e+00 e 0 6506 6204 6203 0 >> 132 4.025 9.534 130.057 1 ? 3.102e+00 0.00e+00 e 0 6206 6204 6203 0 >> 133 3.612 9.533 130.057 1 ? 8.511e-01 0.00e+00 e 0 0 0 0 0 >> 134 3.195 9.539 130.057 1 ? 8.400e-02 0.00e+00 e 0 6217 6204 6203 0 >> 135 2.525 9.533 130.057 1 ? 7.154e-01 0.00e+00 e 0 6108 6204 6203 0 >> 136 6.713 9.537 130.057 1 ? 3.981e-01 0.00e+00 e 0 6816 6204 6203 0 >> 137 2.099 9.533 130.057 1 ? 5.664e+00 0.00e+00 e 0 4309 6204 6203 0 >> 138 1.912 9.533 130.057 1 ? 3.651e+00 0.00e+00 e 0 4308 6204 6203 0 >> 139 1.790 9.535 130.057 1 ? 4.384e+00 0.00e+00 e 0 6208 6204 6203 0 >> 140 1.539 9.533 130.057 1 ? 1.069e+00 0.00e+00 e 0 6212 6204 6203 0 >> 141 0.492 9.534 130.057 1 ? 1.507e+00 0.00e+00 e 0 4610 6204 6203 0 >> 142 4.755 9.534 130.057 1 ? 5.191e+00 0.00e+00 e 0 6106 6204 6203 0 >> 143 8.551 9.377 121.418 1 ? 1.048e+00 0.00e+00 e 0 4604 6004 6003 0 >> 144 8.054 9.382 121.418 1 ? 7.002e-01 0.00e+00 e 0 6804 6004 6003 0 >> 145 7.339 9.380 121.418 1 ? 7.008e-01 0.00e+00 e 0 5816 6004 6003 0 >> 146 6.992 9.379 121.418 1 ? 3.562e+00 0.00e+00 e 0 6016 6004 6003 0 >> 147 5.477 9.382 121.418 1 ? 7.231e+00 0.00e+00 e 0 5906 6004 6003 0 >> 148 5.184 9.385 121.418 1 ? 1.206e+00 0.00e+00 e 0 6006 6004 6003 0 >> 149 2.432 9.386 121.418 1 ? 1.253e+00 0.00e+00 e 0 6008 6004 6003 0 >> 150 4.852 9.381 121.418 1 ? 2.958e+00 0.00e+00 e 0 4706 6004 6003 0 >> 151 1.086 9.380 121.418 1 ? 2.740e+00 0.00e+00 e 0 5907 6004 6003 0 >> 152 0.500 9.385 121.418 1 ? 1.206e+00 0.00e+00 e 0 4609 6004 6003 0 >> 153 0.156 9.378 121.418 1 ? 9.537e-01 0.00e+00 e 0 4608 6004 6003 0 >> 154 9.368 7.571 128.823 1 ? 5.090e-02 0.00e+00 e 0 6004 5904 5903 0 >> 155 9.052 7.574 128.823 1 ? 4.161e-01 0.00e+00 e 0 5804 5904 5903 0 >> 156 7.308 7.577 128.823 1 ? 1.230e+00 0.00e+00 e 0 5816 5904 5903 0 >> 157 5.490 7.575 128.823 1 ? 1.811e+00 0.00e+00 e 0 5906 5904 5903 0 >> 158 4.877 7.572 128.823 1 ? 2.229e-01 0.00e+00 e 0 4706 5904 5903 0 >> 159 4.623 7.575 128.823 1 ? 1.062e+01 0.00e+00 e 0 5806 5904 5903 0 >> 160 3.507 7.567 128.823 1 ? 1.447e+00 0.00e+00 e 0 5809 5904 5903 0 >> 161 1.094 7.571 128.823 1 ? 1.114e+01 0.00e+00 e 0 5907 5904 5903 0 >> 162 10.069 9.037 125.121 1 ? 3.107e-01 0.00e+00 e 0 5604 5804 5803 0 >> 163 9.198 9.037 125.121 1 ? 2.329e-01 0.00e+00 e 0 5704 5804 5803 0 >> 164 4.625 9.033 125.121 1 ? 2.762e+00 0.00e+00 e 0 5806 5804 5803 0 >> 165 4.312 9.037 125.121 1 ? 6.262e-01 0.00e+00 e 0 5707 5804 5803 0 >> 166 3.686 9.035 125.121 1 ? 1.078e-01 0.00e+00 e 0 5706 5804 5803 0 >> 167 3.502 9.035 125.121 1 ? 7.791e+00 0.00e+00 e 0 5809 5804 5803 0 >> 168 3.055 9.037 125.121 1 ? 5.743e+00 0.00e+00 e 0 5808 5804 5803 0 >> 169 10.053 9.160 114.424 1 ? 3.304e+00 0.00e+00 e 0 5604 5704 5703 0 >> 170 4.909 9.166 114.424 1 ? 3.847e-01 0.00e+00 e 0 5606 5704 5703 0 >> 171 4.311 9.164 114.424 1 ? 2.857e+00 0.00e+00 e 0 5707 5704 5703 0 >> 172 4.101 9.166 114.424 1 ? 1.289e+00 0.00e+00 e 0 5506 5704 5703 0 >> 173 3.661 9.159 114.424 1 ? 4.258e+00 0.00e+00 e 0 5706 5704 5703 0 >> 174 3.493 9.161 114.424 1 ? 2.462e+00 0.00e+00 e 0 4809 5704 5703 0 >> 175 3.156 9.166 114.424 1 ? 2.069e+00 0.00e+00 e 0 5609 5704 5703 0 >> 176 3.040 9.162 114.424 1 ? 1.002e+00 0.00e+00 e 0 5608 5704 5703 0 >> 177 10.061 8.261 110.310 1 ? 4.425e-01 0.00e+00 e 0 5604 5504 5503 0 >> 178 7.687 8.261 110.310 1 ? 1.887e+00 0.00e+00 e 0 5404 5504 5503 0 >> 179 4.407 8.260 110.310 1 ? 6.485e+00 0.00e+00 e 0 5406 5504 5503 0 >> 180 4.115 8.260 110.310 1 ? 7.976e+00 0.00e+00 e 0 5506 5504 5503 0 >> 181 1.539 8.266 110.310 1 ? 2.549e+00 0.00e+00 e 0 5408 5504 5503 0 >> 182 8.359 7.704 121.418 1 ? 2.456e+00 0.00e+00 e 0 5304 5404 5403 0 >> 183 8.265 7.703 121.418 1 ? 1.279e+00 0.00e+00 e 0 5504 5404 5403 0 >> 184 4.422 7.706 121.418 1 ? 2.857e+00 0.00e+00 e 0 5406 5404 5403 0 >> 185 4.110 7.702 121.418 1 ? 2.444e+00 0.00e+00 e 0 5307 5404 5403 0 >> 186 3.811 7.701 121.418 1 ? 8.282e-01 0.00e+00 e 0 5306 5404 5403 0 >> 187 1.676 7.703 121.418 1 ? 5.442e+00 0.00e+00 e 0 5409 5404 5403 0 >> 188 1.541 7.701 121.418 1 ? 5.689e+00 0.00e+00 e 0 5408 5404 5403 0 >> 189 0.931 7.703 121.418 1 ? 4.955e-01 0.00e+00 e 0 5413 5404 5403 0 >> 190 7.696 8.364 107.430 1 ? 9.245e-01 0.00e+00 e 0 5404 5304 5303 0 >> 191 4.573 8.361 107.430 1 ? 1.052e+00 0.00e+00 e 0 5206 5304 5303 0 >> 192 4.103 8.362 107.430 1 ? 1.855e+00 0.00e+00 e 0 5307 5304 5303 0 >> 193 3.820 8.364 107.430 1 ? 2.493e+00 0.00e+00 e 0 5306 5304 5303 0 >> 194 4.566 8.724 118.538 1 ? 3.102e-01 0.00e+00 e 0 5206 5204 5203 0 >> 195 3.939 8.546 109.076 1 ? 1.913e+00 0.00e+00 e 0 5006 5104 5103 0 >> 196 4.108 8.548 109.076 1 ? 1.148e+00 0.00e+00 e 0 5007 5104 5103 0 >> 197 4.619 8.450 110.310 1 ? 2.546e+00 0.00e+00 e 0 4906 5004 5003 0 >> 198 4.111 8.451 110.310 1 ? 2.075e+00 0.00e+00 e 0 5007 5004 5003 0 >> 199 3.908 8.456 110.310 1 ? 9.793e-01 0.00e+00 e 0 5006 5004 5003 0 >> 200 1.953 8.456 110.310 1 ? 8.369e-01 0.00e+00 e 0 4908 5004 5003 0 >> 201 8.471 7.547 128.823 1 ? 8.147e-01 0.00e+00 e 0 5004 4904 4903 0 >> 202 4.581 7.518 128.823 1 ? 9.097e-01 0.00e+00 e 0 4806 4904 4903 0 >> 203 3.516 7.519 128.823 1 ? 7.153e-01 0.00e+00 e 0 4809 4904 4903 0 >> 204 3.136 7.547 128.823 1 ? 1.704e+00 0.00e+00 e 0 4808 4904 4903 0 >> 205 2.138 7.548 128.823 1 ? 3.809e+00 0.00e+00 e 0 4912 4904 4903 0 >> 206 1.961 7.546 128.823 1 ? 4.303e+00 0.00e+00 e 0 4908 4904 4903 0 >> 207 0.888 7.553 128.823 1 ? 1.946e+00 0.00e+00 e 0 4709 4904 4903 0 >> 208 8.107 8.921 130.469 1 ? 3.118e-01 0.00e+00 e 0 4704 4804 4803 0 >> 209 7.538 8.918 130.469 1 ? 4.841e-01 0.00e+00 e 0 4904 4804 4803 0 >> 210 7.017 8.918 130.469 1 ? 1.290e+00 0.00e+00 e 0 6016 4804 4803 0 >> 211 5.481 8.919 130.469 1 ? 1.851e+00 0.00e+00 e 0 5906 4804 4803 0 >> 212 4.852 8.918 130.469 1 ? 7.061e+00 0.00e+00 e 0 4706 4804 4803 0 >> 213 4.576 8.916 130.469 1 ? 2.931e+00 0.00e+00 e 0 4806 4804 4803 0 >> 214 3.736 8.921 130.469 1 ? 7.122e-01 0.00e+00 e 0 4708 4804 4803 0 >> 215 3.486 8.917 130.469 1 ? 3.990e+00 0.00e+00 e 0 4809 4804 4803 0 >> 216 3.128 8.921 130.469 1 ? 3.592e+00 0.00e+00 e 0 4808 4804 4803 0 >> 217 1.110 8.920 130.469 1 ? 1.534e+00 0.00e+00 e 0 5907 4804 4803 0 >> 218 0.882 8.920 130.469 1 ? 3.290e+00 0.00e+00 e 0 4709 4804 4803 0 >> 219 9.389 8.095 120.595 1 ? 1.560e-01 0.00e+00 e 0 6004 4704 4703 0 >> 220 8.569 8.095 120.595 1 ? 4.099e-01 0.00e+00 e 0 4604 4704 4703 0 >> 221 8.893 8.100 120.595 1 ? 5.813e-01 0.00e+00 e 0 4804 4704 4703 0 >> 222 5.478 8.096 120.595 1 ? 4.182e-01 0.00e+00 e 0 5906 4704 4703 0 >> 223 4.855 8.100 120.595 1 ? 1.494e+00 0.00e+00 e 0 4706 4704 4703 0 >> 224 3.876 8.095 120.595 1 ? 1.370e+01 0.00e+00 e 0 4606 4704 4703 0 >> 225 3.722 8.096 120.595 1 ? 4.735e+00 0.00e+00 e 0 4708 4704 4703 0 >> 226 1.096 8.088 120.595 1 ? 2.559e+00 0.00e+00 e 0 5907 4704 4703 0 >> 227 0.894 8.093 120.595 1 ? 1.445e+00 0.00e+00 e 0 4709 4704 4703 0 >> 228 0.508 8.096 120.595 1 ? 7.272e+00 0.00e+00 e 0 4609 4704 4703 0 >> 229 0.150 8.100 120.595 1 ? 5.435e-01 0.00e+00 e 0 4608 4704 4703 0 >> 230 9.374 8.565 130.469 1 ? 1.025e+00 0.00e+00 e 0 6004 4604 4603 0 >> 231 6.988 8.560 130.469 1 ? 4.264e-01 0.00e+00 e 0 6016 4604 4603 0 >> 232 6.708 8.566 130.469 1 ? 1.049e+00 0.00e+00 e 0 6816 4604 4603 0 >> 233 6.540 8.565 130.469 1 ? 2.223e-01 0.00e+00 e 0 6812 4604 4603 0 >> 234 3.979 8.565 130.469 1 ? 1.011e+01 0.00e+00 e 0 4506 4604 4603 0 >> 235 0.504 8.564 130.469 1 ? 4.076e-01 0.00e+00 e 0 4610 4604 4603 0 >> 236 0.169 8.566 130.469 1 ? 2.893e+00 0.00e+00 e 0 4608 4604 4603 0 >> 237 -0.018 8.563 130.469 1 ? 1.589e+00 0.00e+00 e 0 4512 4604 4603 0 >> 238 8.491 7.903 118.949 1 ? 8.560e-02 0.00e+00 e 0 4204 4504 4503 0 >> 239 6.521 7.904 118.949 1 ? 7.336e-01 0.00e+00 e 0 6812 4504 4503 0 >> 240 4.443 7.903 118.949 1 ? 3.690e-01 0.00e+00 e 0 4306 4504 4503 0 >> 241 4.221 7.901 118.949 1 ? 4.879e-01 0.00e+00 e 0 4406 4504 4503 0 >> 242 2.322 7.904 118.949 1 ? 1.056e-01 0.00e+00 e 0 4312 4504 4503 0 >> 243 2.080 7.904 118.949 1 ? 1.150e-01 0.00e+00 e 0 4409 4504 4503 0 >> 244 1.892 7.902 118.949 1 ? 7.306e-02 0.00e+00 e 0 0 4504 4503 0 >> 245 1.340 7.903 118.949 1 ? 5.632e+00 0.00e+00 e 0 4508 4504 4503 0 >> 246 0.489 7.903 118.949 1 ? 5.347e+00 0.00e+00 e 0 4509 4504 4503 0 >> 247 -0.014 7.901 118.949 1 ? 2.584e-01 0.00e+00 e 0 4512 4504 4503 0 >> 248 3.979 7.905 118.949 1 ? 3.036e+00 0.00e+00 e 0 4506 4504 4503 0 >> 249 8.477 7.270 118.538 1 ? 2.038e-01 0.00e+00 e 0 4204 4304 4303 0 >> 250 4.415 7.270 118.538 1 ? 5.080e+00 0.00e+00 e 0 4306 4304 4303 0 >> 251 4.457 7.270 118.538 1 ? 4.970e+00 0.00e+00 e 0 4206 4304 4303 0 >> 252 2.772 7.267 118.538 1 ? 1.295e+00 0.00e+00 e 0 4209 4304 4303 0 >> 253 2.327 7.271 118.538 1 ? 2.889e+00 0.00e+00 e 0 4312 4304 4303 0 >> 254 2.106 7.270 118.538 1 ? 3.000e+00 0.00e+00 e 0 4309 4304 4303 0 >> 255 1.889 7.271 118.538 1 ? 5.286e+00 0.00e+00 e 0 4308 4304 4303 0 >> 256 0.509 7.271 118.538 1 ? 6.236e-01 0.00e+00 e 0 4610 4304 4303 0 >> 257 7.267 8.483 115.247 1 ? 2.938e+00 0.00e+00 e 0 4304 4204 4203 0 >> 258 4.469 8.481 115.247 1 ? 6.273e+00 0.00e+00 e 0 4206 4204 4203 0 >> 259 4.368 8.481 115.247 1 ? 0.000e+00 0.00e+00 e 0 0 4204 4203 0 >> 260 2.768 8.484 115.247 1 ? 2.204e+00 0.00e+00 e 0 4208 4204 4203 0 >> 261 2.317 8.483 115.247 1 ? 8.434e-01 0.00e+00 e 0 4109 4204 4203 0 >> 262 2.084 8.480 115.247 1 ? 1.217e+00 0.00e+00 e 0 4112 4204 4203 0 >> 263 1.918 8.482 115.247 1 ? 8.600e-02 0.00e+00 e 0 4108 4204 4203 0 >> 264 4.591 8.626 122.241 1 ? 1.386e+01 0.00e+00 e 0 3906 4004 4003 0 >> 265 4.462 8.625 122.241 1 ? 2.608e+00 0.00e+00 e 0 4006 4004 4003 0 >> 266 3.770 8.625 122.241 1 ? 9.466e-01 0.00e+00 e 0 4115 4004 4003 0 >> 267 2.391 8.628 122.241 1 ? 5.480e+00 0.00e+00 e 0 4013 4004 4003 0 >> 268 2.201 8.626 122.241 1 ? 6.440e+00 0.00e+00 e 0 3909 4004 4003 0 >> 269 2.055 8.624 122.241 1 ? 6.476e+00 0.00e+00 e 0 3908 4004 4003 0 >> 270 1.865 8.625 122.241 1 ? 8.340e+00 0.00e+00 e 0 4008 4004 4003 0 >> 271 0.502 8.627 122.241 1 ? 9.190e-02 0.00e+00 e 0 4610 4004 4003 0 >> 272 1.723 8.223 124.298 1 ? 4.876e-01 0.00e+00 e 0 3809 3804 3803 0 >> 273 8.946 8.345 106.607 1 ? 2.728e-01 0.00e+00 e 0 2804 3604 3603 0 >> 274 4.411 8.348 106.607 1 ? 2.784e+00 0.00e+00 e 0 3607 3604 3603 0 >> 275 4.090 8.346 106.607 1 ? 9.551e+00 0.00e+00 e 0 3506 3604 3603 0 >> 276 3.504 8.346 106.607 1 ? 4.482e+00 0.00e+00 e 0 3606 3604 3603 0 >> 277 1.406 8.346 106.607 1 ? 4.132e+00 0.00e+00 e 0 3507 3604 3603 0 >> 278 0.802 8.345 106.607 1 ? 4.641e-01 0.00e+00 e 0 2714 3604 3603 0 >> 279 8.891 8.580 125.121 1 ? 5.648e-01 0.00e+00 e 0 2804 3504 3503 0 >> 280 7.820 8.586 125.121 1 ? 2.229e+00 0.00e+00 e 0 0 0 0 0 >> 281 4.497 8.590 125.121 1 ? 2.980e-01 0.00e+00 e 0 3306 3504 3503 0 >> 282 4.102 8.586 125.121 1 ? 5.001e+00 0.00e+00 e 0 3506 3504 3503 0 >> 283 3.912 8.585 125.121 1 ? 5.656e-01 0.00e+00 e 0 3406 3504 3503 0 >> 284 3.395 8.586 125.121 1 ? 2.508e+00 0.00e+00 e 0 2809 3504 3503 0 >> 285 2.938 8.585 125.121 1 ? 4.575e+00 0.00e+00 e 0 2808 3504 3503 0 >> 286 8.306 8.581 125.121 1 ? 4.282e-01 0.00e+00 e 0 3604 3504 3503 0 >> 287 2.556 8.582 125.121 1 ? 7.002e-01 0.00e+00 e 0 3308 3504 3503 0 >> 288 1.405 8.585 125.121 1 ? 8.748e+00 0.00e+00 e 0 3507 3504 3503 0 >> 289 8.768 7.738 123.475 1 ? 7.704e-01 0.00e+00 e 0 3204 3304 3303 0 >> 290 4.513 7.737 123.475 1 ? 3.134e+00 0.00e+00 e 0 3306 3304 3303 0 >> 291 4.232 7.728 123.475 1 ? 6.717e-01 0.00e+00 e 0 3106 3304 3303 0 >> 292 4.044 7.738 123.475 1 ? 2.297e+00 0.00e+00 e 0 3207 3304 3303 0 >> 293 3.698 7.737 123.475 1 ? 6.831e-01 0.00e+00 e 0 3206 3304 3303 0 >> 294 3.036 7.738 123.475 1 ? 5.090e+00 0.00e+00 e 0 3309 3304 3303 0 >> 295 2.553 7.738 123.475 1 ? 3.719e+00 0.00e+00 e 0 3308 3304 3303 0 >> 296 1.735 7.738 123.475 1 ? 1.280e+00 0.00e+00 e 0 3008 3304 3303 0 >> 297 4.251 8.770 111.955 1 ? 5.232e-01 0.00e+00 e 0 3106 3204 3203 0 >> 298 7.256 9.129 127.589 1 ? 7.790e-02 0.00e+00 e 0 0 3004 3003 0 >> 299 4.413 9.127 127.589 1 ? 9.003e-01 0.00e+00 e 0 2906 3004 3003 0 >> 300 4.104 9.126 127.589 1 ? 3.769e+00 0.00e+00 e 0 3006 3004 3003 0 >> 301 3.443 9.125 127.589 1 ? 4.180e-02 0.00e+00 e 0 3116 3004 3003 0 >> 302 3.358 9.124 127.589 1 ? 2.498e+00 0.00e+00 e 0 2809 3004 3003 0 >> 303 2.978 9.124 127.589 1 ? 1.318e+00 0.00e+00 e 0 2808 3004 3003 0 >> 304 2.712 9.124 127.589 1 ? 5.597e-01 0.00e+00 e 0 3017 3004 3003 0 >> 305 2.461 9.124 127.589 1 ? 1.478e+00 0.00e+00 e 0 3016 3004 3003 0 >> 306 2.009 9.123 127.589 1 ? 7.306e-01 0.00e+00 e 0 2908 3004 3003 0 >> 307 1.691 9.126 127.589 1 ? 7.522e+00 0.00e+00 e 0 3008 3004 3003 0 >> 308 1.457 9.126 127.589 1 ? 1.569e+00 0.00e+00 e 0 2912 3004 3003 0 >> 309 1.330 9.124 127.589 1 ? 1.929e+00 0.00e+00 e 0 3013 3004 3003 0 >> 310 1.207 9.127 127.589 1 ? 2.561e+00 0.00e+00 e 0 3012 3004 3003 0 >> 311 8.587 8.890 127.178 1 ? 8.840e-01 0.00e+00 e 0 3504 2804 2803 0 >> 312 5.046 8.890 127.178 1 ? 7.477e+00 0.00e+00 e 0 2706 2804 2803 0 >> 313 4.406 8.890 127.178 1 ? 1.522e+00 0.00e+00 e 0 3607 2804 2803 0 >> 314 4.132 8.891 127.178 1 ? 2.810e+00 0.00e+00 e 0 2806 2804 2803 0 >> 315 3.387 8.888 127.178 1 ? 4.596e+00 0.00e+00 e 0 2809 2804 2803 0 >> 316 2.935 8.890 127.178 1 ? 4.407e+00 0.00e+00 e 0 2808 2804 2803 0 >> 317 1.441 8.890 127.178 1 ? 2.619e+00 0.00e+00 e 0 3507 2804 2803 0 >> 318 1.095 8.888 127.178 1 ? 1.324e-01 0.00e+00 e 0 2609 2804 2803 0 >> 319 0.801 8.890 127.178 1 ? 2.355e+00 0.00e+00 e 0 2714 2804 2803 0 >> 320 8.700 8.204 124.709 1 ? 1.749e-01 0.00e+00 e 0 2604 2704 2703 0 >> 321 5.046 8.205 124.709 1 ? 2.013e+00 0.00e+00 e 0 2706 2704 2703 0 >> 322 4.521 8.204 124.709 1 ? 9.464e+00 0.00e+00 e 0 2606 2704 2703 0 >> 323 2.105 8.202 124.709 1 ? 2.934e+00 0.00e+00 e 0 2608 2704 2703 0 >> 324 1.618 8.203 124.709 1 ? 3.408e+00 0.00e+00 e 0 2712 2704 2703 0 >> 325 1.478 8.203 124.709 1 ? 4.995e+00 0.00e+00 e 0 2709 2704 2703 0 >> 326 1.243 8.206 124.709 1 ? 8.811e-01 0.00e+00 e 0 2708 2704 2703 0 >> 327 1.036 8.203 124.709 1 ? 3.725e+00 0.00e+00 e 0 2609 2704 2703 0 >> 328 0.839 8.203 124.709 1 ? 3.080e+00 0.00e+00 e 0 2713 2704 2703 0 >> 329 4.958 8.710 116.481 1 ? 7.185e-01 0.00e+00 e 0 3806 2604 2603 0 >> 330 4.458 8.717 116.481 1 ? 5.759e+00 0.00e+00 e 0 2507 2604 2603 0 >> 331 3.928 8.717 116.481 1 ? 4.623e+00 0.00e+00 e 0 2506 2604 2603 0 >> 332 3.571 8.723 116.481 1 ? 6.346e-01 0.00e+00 e 0 3915 2604 2603 0 >> 333 2.109 8.720 116.481 1 ? 1.217e+00 0.00e+00 e 0 2608 2604 2603 0 >> 334 1.040 8.716 116.481 1 ? 4.295e+00 0.00e+00 e 0 2610 2604 2603 0 >> 335 0.877 8.715 116.481 1 ? 1.599e+00 0.00e+00 e 0 3813 2604 2603 0 >> 336 3.752 8.716 116.481 1 ? 4.225e-01 0.00e+00 e 0 3916 2604 2603 0 >> 337 4.455 8.210 107.430 1 ? 3.097e+00 0.00e+00 e 0 2507 2504 2503 0 >> 338 4.147 8.215 107.430 1 ? 5.280e-01 0.00e+00 e 0 2407 2504 2503 0 >> 339 3.922 8.212 107.430 1 ? 7.186e+00 0.00e+00 e 0 2506 2504 2503 0 >> 340 2.071 8.216 107.430 1 ? 6.250e-02 0.00e+00 e 0 2316 2504 2503 0 >> 341 0.881 8.208 107.430 1 ? 7.002e-01 0.00e+00 e 0 3813 2504 2503 0 >> 342 4.176 8.183 123.475 1 ? 1.252e-01 0.00e+00 e 0 1806 2104 2103 0 >> 343 3.944 8.184 123.475 1 ? 5.849e+00 0.00e+00 e 0 2006 2104 2103 0 >> 344 2.086 8.182 123.475 1 ? 1.767e+00 0.00e+00 e 0 2008 2104 2103 0 >> 345 1.696 8.183 123.475 1 ? 7.841e+00 0.00e+00 e 0 2109 2104 2103 0 >> 346 1.567 8.182 123.475 1 ? 4.191e+00 0.00e+00 e 0 2108 2104 2103 0 >> 347 0.891 8.182 123.475 1 ? 3.156e+00 0.00e+00 e 0 2113 2104 2103 0 >> 348 8.236 8.050 121.006 1 ? 3.908e-01 0.00e+00 e 0 1904 2004 2003 0 >> 349 4.380 8.046 121.006 1 ? 1.715e+00 0.00e+00 e 0 1906 2004 2003 0 >> 350 3.958 8.047 121.006 1 ? 8.883e-01 0.00e+00 e 0 2006 2004 2003 0 >> 351 2.962 8.047 121.006 1 ? 2.936e+00 0.00e+00 e 0 1909 2004 2003 0 >> 352 2.084 8.046 121.006 1 ? 3.840e+00 0.00e+00 e 0 2008 2004 2003 0 >> 353 0.915 8.046 121.006 1 ? 1.255e-01 0.00e+00 e 0 2010 2004 2003 0 >> 354 8.033 8.249 119.772 1 ? 1.678e-01 0.00e+00 e 0 2004 1904 1903 0 >> 355 4.381 8.249 119.772 1 ? 2.535e-01 0.00e+00 e 0 1906 1904 1903 0 >> 356 4.192 8.247 119.772 1 ? 2.664e+00 0.00e+00 e 0 1806 1904 1903 0 >> 357 2.959 8.248 119.772 1 ? 3.231e+00 0.00e+00 e 0 1908 1904 1903 0 >> 358 2.262 8.248 119.772 1 ? 1.289e-01 0.00e+00 e 0 1812 1904 1903 0 >> 359 2.026 8.248 119.772 1 ? 5.905e-01 0.00e+00 e 0 1809 1904 1903 0 >> 360 4.173 8.409 120.184 1 ? 3.924e+00 0.00e+00 e 0 1706 1804 1803 0 >> 361 2.279 8.410 120.184 1 ? 6.844e-01 0.00e+00 e 0 1813 1804 1803 0 >> 362 2.027 8.408 120.184 1 ? 5.970e+00 0.00e+00 e 0 1808 1804 1803 0 >> 363 4.299 8.616 119.772 1 ? 9.528e-01 0.00e+00 e 0 1606 1704 1703 0 >> 364 2.020 8.614 119.772 1 ? 1.753e+00 0.00e+00 e 0 1708 1704 1703 0 >> 365 1.420 8.613 119.772 1 ? 3.471e-01 0.00e+00 e 0 1607 1704 1703 0 >> 366 1.402 8.150 123.475 1 ? 4.449e-01 0.00e+00 e 0 1607 1604 1603 0 >> 367 8.190 8.404 110.721 1 ? 2.174e-01 0.00e+00 e 0 1604 1504 1503 0 >> 368 4.578 8.403 110.721 1 ? 1.781e+00 0.00e+00 e 0 1406 1504 1503 0 >> 369 3.933 8.403 110.721 1 ? 3.215e+00 0.00e+00 e 0 1506 1504 1503 0 >> 370 3.108 8.402 110.721 1 ? 8.700e-02 0.00e+00 e 0 1409 1504 1503 0 >> 371 4.602 8.221 120.595 1 ? 3.178e-01 0.00e+00 e 0 1406 1404 1403 0 >> 372 4.205 8.210 120.595 1 ? 7.831e+00 0.00e+00 e 0 1306 1404 1403 0 >> 373 3.105 8.221 120.595 1 ? 8.308e-01 0.00e+00 e 0 1409 1404 1403 0 >> 374 2.917 8.216 120.595 1 ? 1.874e+00 0.00e+00 e 0 1408 1404 1403 0 >> 375 1.922 8.207 120.595 1 ? 3.728e+00 0.00e+00 e 0 1308 1404 1403 0 >> 376 1.953 8.062 120.595 1 ? 1.103e+00 0.00e+00 e 0 1308 1304 1303 0 >> 377 2.261 8.056 120.595 1 ? 7.400e-02 0.00e+00 e 0 1312 1304 1303 0 >> 378 4.201 8.068 120.595 1 ? 5.330e+00 0.00e+00 e 0 1306 1304 1303 0 >> 379 4.548 8.047 121.006 1 ? 3.250e+00 0.00e+00 e 0 1106 1204 1203 0 >> 380 3.113 8.046 121.006 1 ? 1.046e-01 0.00e+00 e 0 1109 1204 1203 0 >> 381 2.252 8.048 121.006 1 ? 1.769e+00 0.00e+00 e 0 1213 1204 1203 0 >> 382 1.932 8.042 121.006 1 ? 1.751e+00 0.00e+00 e 0 1208 1204 1203 0 >> 383 4.543 8.102 119.772 1 ? 6.537e-01 0.00e+00 e 0 1106 1104 1103 0 >> 384 4.167 8.104 119.772 1 ? 2.236e+00 0.00e+00 e 0 1006 1104 1103 0 >> 385 3.100 8.096 119.772 1 ? 4.586e-01 0.00e+00 e 0 1109 1104 1103 0 >> 386 2.935 8.103 119.772 1 ? 2.346e+00 0.00e+00 e 0 1108 1104 1103 0 >> 387 1.689 8.102 119.772 1 ? 3.227e-01 0.00e+00 e 0 1009 1104 1103 0 >> 388 1.667 8.127 121.006 1 ? 4.829e-01 0.00e+00 e 0 1009 1004 1003 0 >> 389 4.219 8.297 120.184 1 ? 1.938e+00 0.00e+00 e 0 606 704 703 0 >> 390 1.981 8.302 120.184 1 ? 6.905e-01 0.00e+00 e 0 609 704 703 0 >> 391 4.240 8.637 121.418 1 ? 2.015e+00 0.00e+00 e 0 606 604 603 0 >> 392 1.954 8.638 121.418 1 ? 1.786e+00 0.00e+00 e 0 609 604 603 0 >> 393 4.273 8.347 120.595 1 ? 1.304e-01 0.00e+00 e 0 506 504 503 0 >> 394 4.002 8.348 120.595 1 ? 1.201e+00 0.00e+00 e 0 407 504 503 0 >> 395 1.948 8.350 120.595 1 ? 4.667e-01 0.00e+00 e 0 509 504 503 0 >> 396 4.523 8.157 108.664 1 ? 9.858e-01 0.00e+00 e 0 306 404 403 0 >> 397 4.161 8.613 119.772 1 ? 1.363e+00 0.00e+00 e 0 1706 1704 1703 0 >> 398 2.313 8.611 119.772 1 ? 9.547e-01 0.00e+00 e 0 1713 1704 1703 0 >> 399 1.808 8.890 127.178 1 ? 1.010e-01 0.00e+00 e 0 3712 2804 2803 0 >> 400 1.236 8.890 127.178 1 ? 2.134e+00 0.00e+00 e 0 2708 2804 2803 0 >> 401 1.657 8.259 110.310 1 ? 1.161e+00 0.00e+00 e 0 5409 5504 5503 0 >> 402 7.311 9.034 125.121 1 ? 1.081e+00 0.00e+00 e 0 5816 5804 5803 0 >> 403 2.940 8.360 107.430 1 ? 8.360e-02 0.00e+00 e 0 5209 5304 5303 0 >> 404 2.965 7.705 121.418 1 ? 7.822e-01 0.00e+00 e 0 5209 5404 5403 0 >> 405 3.776 8.481 115.247 1 ? 1.672e+00 0.00e+00 e 0 4115 4204 4203 0 >> 406 3.868 8.481 115.247 1 ? 1.610e+00 0.00e+00 e 0 4106 4204 4203 0 >> 407 3.953 9.125 127.589 1 ? 8.306e-01 0.00e+00 e 0 3115 3004 3003 0 >> 408 4.658 9.165 114.424 1 ? 6.634e-01 0.00e+00 e 0 4906 5704 5703 0 >> 409 9.005 9.165 114.424 1 ? 1.238e+00 0.00e+00 e 0 5804 5704 5703 0 >> 410 8.904 9.166 114.424 1 ? 1.172e-01 0.00e+00 e 0 4804 5704 5703 0 >> 411 9.389 8.058 120.595 1 ? 6.444e-01 0.00e+00 e 0 6004 6804 6803 0 >> 412 0.884 8.260 110.310 1 ? 4.622e-01 0.00e+00 e 0 5414 5504 5503 0 >> 413 1.881 8.548 117.304 1 ? 3.857e-01 0.00e+00 e 0 7208 7404 7403 0 >> 414 1.440 8.259 117.715 1 ? 4.737e-01 0.00e+00 e 0 6513 6604 6603 0 >> 415 0.838 9.041 125.121 1 ? 3.055e-01 0.00e+00 e 0 4709 5804 5803 0 >> 416 0.879 9.154 114.424 1 ? 2.500e-01 0.00e+00 e 0 4709 5704 5703 0 >> 417 1.110 9.035 125.121 1 ? 5.549e-01 0.00e+00 e 0 5907 5804 5803 0 >> 418 4.511 7.941 118.949 1 ? 0.000e+00 0.00e+00 e 0 2306 2304 2303 0 >> 419 1.562 8.214 107.430 1 ? 6.040e-02 0.00e+00 e 0 3812 2504 2503 0 >> 420 7.954 7.270 118.538 1 ? 0.000e+00 0.00e+00 e 0 4504 4304 4303 0 >> 421 2.249 8.781 111.955 1 ? 0.000e+00 0.00e+00 e 0 3109 3204 3203 0 >> 422 1.089 8.589 125.121 1 ? 5.780e-02 0.00e+00 e 0 3714 3504 3503 0 >> 423 3.518 7.272 118.538 1 ? 0.000e+00 0.00e+00 e 0 4416 4304 4303 0 >> 424 1.330 8.558 130.469 1 ? 0.000e+00 0.00e+00 e 0 4508 4604 4603 0 >> 425 1.103 8.561 130.469 1 ? 0.000e+00 0.00e+00 e 0 5907 4604 4603 0 >> 426 3.025 7.578 128.823 1 ? 6.545e-02 0.00e+00 e 0 5808 5904 5903 0 >> 427 4.095 7.550 128.823 1 ? 6.730e-02 0.00e+00 e 0 5506 4904 4903 0 >> 428 1.683 10.063 124.709 1 ? 0.000e+00 0.00e+00 e 0 5409 5604 5603 0 >> 429 7.550 9.034 125.121 1 ? 0.000e+00 0.00e+00 e 0 5904 5804 5803 0 >> 430 7.567 9.388 121.418 1 ? 0.000e+00 0.00e+00 e 0 5904 6004 6003 0 >> 431 2.705 9.382 121.418 1 ? 0.000e+00 0.00e+00 e 0 6009 6004 6003 0 >> 432 3.161 9.379 121.418 1 ? 0.000e+00 0.00e+00 e 0 4808 6004 6003 0 >> 433 0.893 9.385 121.418 1 ? 0.000e+00 0.00e+00 e 0 4709 6004 6003 0 >> 434 6.534 8.878 111.133 1 ? 0.000e+00 0.00e+00 e 0 6812 7104 7103 0 >> 435 2.087 8.547 117.304 1 ? 0.000e+00 0.00e+00 e 0 7209 7404 7403 0 >> 436 6.692 8.389 118.949 1 ? 0.000e+00 0.00e+00 e 0 6917 7204 7203 0 >> 437 7.802 8.391 118.949 1 ? 0.000e+00 0.00e+00 e 0 6918 7204 7203 0 >> 438 8.204 8.615 119.772 1 ? 0.000e+00 0.00e+00 e 0 1604 1704 1703 0 >> 439 4.001 7.938 118.949 1 ? 8.010e-02 0.00e+00 e 0 7606 7604 7603 0 >> 440 7.532 8.452 110.310 1 ? 0.000e+00 0.00e+00 e 0 4904 5004 5003 0 >> 441 3.453 8.482 117.715 1 ? 0.000e+00 0.00e+00 e 0 6409 6504 6503 0 >> 442 1.420 8.191 123.886 1 ? 0.000e+00 0.00e+00 e 0 3709 3704 3703 0 >> 443 4.178 8.214 120.184 1 ? 0.000e+00 0.00e+00 e 0 4406 4404 4403 0 >> 444 7.943 8.213 120.184 1 ? 0.000e+00 0.00e+00 e 0 4504 4404 4403 0 >> 445 1.727 8.212 120.184 1 ? 0.000e+00 0.00e+00 e 0 4413 4404 4403 0 >> 446 2.081 8.210 120.184 1 ? 0.000e+00 0.00e+00 e 0 4408 4404 4403 0 >> 447 8.207 7.264 118.538 1 ? 0.000e+00 0.00e+00 e 0 4404 4304 4303 0 >> 448 10.050 8.920 130.469 1 ? 0.000e+00 0.00e+00 e 0 5604 4804 4803 0 >> 449 0.486 8.919 130.469 1 ? 0.000e+00 0.00e+00 e 0 4609 4804 4803 0 >> 450 3.894 7.705 121.418 1 ? 0.000e+00 0.00e+00 e 0 0 0 0 0 >> 451 7.090 8.046 121.006 1 ? 0.000e+00 0.00e+00 e 0 1116 1204 1203 0 >> 452 3.146 8.478 115.247 1 ? 0.000e+00 0.00e+00 e 0 6217 4204 4203 0 >> 453 1.574 8.478 115.247 1 ? 0.000e+00 0.00e+00 e 0 6212 4204 4203 0 >> 454 2.903 8.044 116.892 1 ? 0.000e+00 0.00e+00 e 0 7309 6404 6403 0 >> 455 2.086 8.259 110.310 1 ? 0.000e+00 0.00e+00 e 0 4912 5504 5503 0 >> 456 3.864 8.566 130.469 1 ? 0.000e+00 0.00e+00 e 0 4606 4604 4603 0 >> 457 3.545 8.761 120.595 1 ? 0.000e+00 0.00e+00 e 0 0 0 0 0 >> 458 3.070 8.800 120.595 1 ? 0.000e+00 0.00e+00 e 0 6908 7004 7003 0 >>459 9.157 10.065 124.709 1 ? 3.338e+00 0.00e+00 e 0 5704 5604 5603 0 >>; >> >>save_ >> ; save_ save_spectral_peak_list_3 _Saveframe_category spectral_peak_list _Details . _Experiment_label '3D 1H-13C NOESY' _Number_of_spectral_dimensions 3 _Sample_label $sample_2 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_3 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_3 >> _Spectral_peak_list.Entry_ID 15074 >> _Spectral_peak_list.ID 3 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $sample_2 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Experiment_ID 13 >> _Spectral_peak_list.Experiment_name '3D 1H-13C 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 >>#FORMAT xeasy3D >>#INAME 1 h >>#INAME 2 H >>#INAME 3 C >>#CYANAFORMAT hHC >> 1 1.039 4.532 59.614 1 ? 4.206e+00 0.00e+00 e 0 2610 2606 2605 0 >> 2 2.277 4.208 57.863 1 ? 6.558e-01 0.00e+00 e 0 1812 1806 1805 0 >> 3 2.022 4.157 57.863 1 ? 5.930e-02 0.00e+00 e 0 2909 2806 2805 0 >> 4 3.351 4.157 57.863 1 ? 1.475e+00 0.00e+00 e 0 2809 2806 2805 0 >> 5 1.696 4.169 56.987 1 ? 8.881e+00 0.00e+00 e 0 1009 1006 1005 0 >> 6 2.927 4.158 57.863 1 ? 4.107e-01 0.00e+00 e 0 2808 2806 2805 0 >> 7 2.746 4.625 53.485 1 ? 4.666e+00 0.00e+00 e 0 908 906 905 0 >> 8 4.476 3.865 50.858 1 ? 1.456e+00 0.00e+00 e 0 4006 4116 4104 0 >> 9 3.688 4.070 45.605 1 ? 5.686e+00 0.00e+00 e 0 3206 3207 3205 0 >> 10 0.896 3.933 44.730 1 ? 1.055e+00 0.00e+00 e 0 3813 2506 2505 0 >> 11 1.436 3.115 43.854 1 ? 4.320e+00 0.00e+00 e 0 1013 1017 1015 0 >> 12 1.695 3.115 43.854 1 ? 2.973e+00 0.00e+00 e 0 1009 1017 1015 0 >> 13 2.445 2.738 42.979 1 ? 8.984e+00 0.00e+00 e 0 3016 3017 3015 0 >> 14 2.738 2.442 42.979 1 ? 9.242e+00 0.00e+00 e 0 3017 3016 3015 0 >> 15 1.219 2.439 42.979 1 ? 5.694e-01 0.00e+00 e 0 3012 3016 3015 0 >> 16 1.220 2.747 42.979 1 ? 3.507e-01 0.00e+00 e 0 3012 3017 3015 0 >> 17 1.485 1.239 42.979 1 ? 6.097e+00 0.00e+00 e 0 2709 2708 2707 0 >> 18 1.241 1.486 42.979 1 ? 6.131e+00 0.00e+00 e 0 2708 2709 2707 0 >> 19 0.836 1.486 42.979 1 ? 1.724e+00 0.00e+00 e 0 2713 2709 2707 0 >> 20 5.048 1.485 42.979 1 ? 2.003e-01 0.00e+00 e 0 2706 2709 2707 0 >> 21 0.874 1.741 41.228 1 ? 2.436e-01 0.00e+00 e 0 2114 2109 2107 0 >> 22 1.548 1.740 41.228 1 ? 6.868e+00 0.00e+00 e 0 2108 2109 2107 0 >> 23 1.732 1.552 41.228 1 ? 1.172e+01 0.00e+00 e 0 2109 2108 2107 0 >> 24 3.112 2.924 38.601 1 ? 3.183e+01 0.00e+00 e 0 1409 1408 1407 0 >> 25 1.033 2.111 35.975 1 ? 4.256e+00 0.00e+00 e 0 2610 2608 2607 0 >> 26 4.531 2.117 35.975 1 ? 8.432e-01 0.00e+00 e 0 2606 2608 2607 0 >> 27 4.210 2.215 34.223 1 ? 5.063e+00 0.00e+00 e 0 1306 1312 1311 0 >> 28 1.962 2.217 34.223 1 ? 2.747e+01 0.00e+00 e 0 1308 1313 1311 0 >> 29 1.404 3.403 32.472 1 ? 5.708e-01 0.00e+00 e 0 3507 2809 2807 0 >> 30 2.936 3.391 32.472 1 ? 5.927e+00 0.00e+00 e 0 2808 2809 2807 0 >> 31 3.385 2.942 32.472 1 ? 5.783e+00 0.00e+00 e 0 2809 2808 2807 0 >> 32 2.053 2.535 32.472 1 ? 1.384e+00 0.00e+00 e 0 0 0 0 0 >> 33 1.474 1.994 32.472 1 ? 1.173e+00 0.00e+00 e 0 2912 2908 2907 0 >> 34 2.510 2.068 32.472 1 ? 1.188e+00 0.00e+00 e 0 0 0 0 0 >> 35 2.486 1.994 32.472 1 ? 9.824e-01 0.00e+00 e 0 3016 2908 2907 0 >> 36 4.407 1.996 32.472 1 ? 5.642e+00 0.00e+00 e 0 2906 2908 2907 0 >> 37 3.927 2.097 32.472 1 ? 8.492e-01 0.00e+00 e 0 2006 2008 2007 0 >> 38 1.436 1.698 30.721 1 ? 1.219e+01 0.00e+00 e 0 1013 1009 1007 0 >> 39 3.116 1.694 30.721 1 ? 8.111e-01 0.00e+00 e 0 1017 1009 1007 0 >> 40 4.174 1.704 30.721 1 ? 1.189e+00 0.00e+00 e 0 1006 1009 1007 0 >> 41 4.241 1.957 30.721 1 ? 5.401e-01 0.00e+00 e 0 506 509 507 0 >> 42 2.378 1.863 28.970 1 ? 5.754e+00 0.00e+00 e 0 4012 4009 4007 0 >> 43 2.391 2.072 28.970 1 ? 1.160e+01 0.00e+00 e 0 0 0 0 0 >> 44 4.205 1.917 28.970 1 ? 1.009e+01 0.00e+00 e 0 1306 1309 1307 0 >> 45 4.196 1.994 29.846 1 ? 1.973e+01 0.00e+00 e 0 1706 1709 1707 0 >> 46 3.110 1.432 27.219 1 ? 4.060e+00 0.00e+00 e 0 1017 1013 1011 0 >> 47 4.166 1.435 27.219 1 ? 7.434e-01 0.00e+00 e 0 1006 1013 1011 0 >> 48 4.405 1.560 27.219 1 ? 5.301e-01 0.00e+00 e 0 4306 6213 6211 0 >> 49 2.294 2.078 27.219 1 ? 8.540e-02 0.00e+00 e 0 4109 4113 4111 0 >> 50 1.720 1.216 26.344 1 ? 5.076e-01 0.00e+00 e 0 3009 3012 3011 0 >> 51 1.931 1.540 27.219 1 ? 1.224e-01 0.00e+00 e 0 3913 6212 6211 0 >> 52 1.328 1.212 26.344 1 ? 1.318e+00 0.00e+00 e 0 3013 3012 3011 0 >> 53 1.215 1.318 26.344 1 ? 2.184e+00 0.00e+00 e 0 3012 3013 3011 0 >> 54 1.241 0.777 23.717 1 ? 8.563e-01 0.00e+00 e 0 2708 2714 2719 0 >> 55 1.609 0.774 23.717 1 ? 3.894e+00 0.00e+00 e 0 2712 2714 2719 0 >> 56 1.597 0.839 22.842 1 ? 8.323e+00 0.00e+00 e 0 2108 2114 2119 0 >> 57 4.172 0.840 22.842 1 ? 5.227e+00 0.00e+00 e 0 1806 2114 2119 0 >> 58 4.423 0.775 23.717 1 ? 6.232e-01 0.00e+00 e 0 3607 2714 2719 0 >> 59 5.056 0.774 23.717 1 ? 3.278e+00 0.00e+00 e 0 2706 2714 2719 0 >> 60 0.501 1.034 21.091 1 ? 1.886e-01 0.00e+00 e 0 4610 2610 2615 0 >> 4610 2610 2615 >> 4609 2609 2611 >> 4609 2610 2615 >> 61 3.993 1.032 21.091 1 ? 8.250e-02 0.00e+00 e 0 6206 2610 2615 0 >> 62 7.015 1.033 21.091 1 ? 9.770e-02 0.00e+00 e 0 6024 2610 2615 0 >> 63 1.447 1.036 21.091 1 ? 8.820e-02 0.00e+00 e 0 3507 2610 2615 0 >> 64 4.534 1.038 21.091 1 ? 1.231e+00 0.00e+00 e 0 2606 2609 2611 0 >> 65 1.731 1.886 27.219 1 ? 1.559e+00 0.00e+00 e 0 3912 3913 3911 0 >> 66 2.130 2.397 35.975 1 ? 9.515e+00 0.00e+00 e 0 7009 7013 7011 0 >> 67 6.723 2.268 35.975 1 ? 6.590e-01 0.00e+00 e 0 6823 7012 7011 0 >> 68 1.333 2.449 42.979 1 ? 5.198e-01 0.00e+00 e 0 3013 3016 3015 0 >> 69 0.837 1.243 42.979 1 ? 1.147e+00 0.00e+00 e 0 2713 2708 2707 0 >> 70 1.685 1.339 26.344 1 ? 7.095e-01 0.00e+00 e 0 3009 3013 3011 0 >> 71 2.449 1.211 26.344 1 ? 3.038e-01 0.00e+00 e 0 3016 3012 3011 0 >> 72 2.736 1.209 26.344 1 ? 2.948e-01 0.00e+00 e 0 3017 3012 3011 0 >> 73 0.880 1.531 27.219 1 ? 5.300e+00 0.00e+00 e 0 0 0 0 0 >> 74 4.065 3.697 45.605 1 ? 6.475e+00 0.00e+00 e 0 3207 3206 3205 0 >> 75 4.944 3.917 45.605 1 ? 8.849e-01 0.00e+00 e 0 3806 2506 2505 0 >> 76 0.903 3.939 63.991 1 ? 4.032e+00 0.00e+00 e 0 2010 2006 2005 0 >> 77 2.092 3.938 63.991 1 ? 2.884e+00 0.00e+00 e 0 2008 2006 2005 0 >> 78 1.973 3.999 50.858 1 ? 6.553e-01 0.00e+00 e 0 3112 3115 3104 0 >> 79 1.720 3.992 50.858 1 ? 6.041e-01 0.00e+00 e 0 3009 3115 3104 0 >> 80 2.343 3.771 50.858 1 ? 4.043e-01 0.00e+00 e 0 4109 4115 4104 0 >> 81 4.183 1.751 41.228 1 ? 6.740e-02 0.00e+00 e 0 1806 2109 2107 0 >> 82 2.916 3.113 38.601 1 ? 3.600e+01 0.00e+00 e 0 1408 1409 1407 0 >> 83 7.104 2.934 38.601 1 ? 7.901e+00 0.00e+00 e 0 1416 1408 1407 0 >> 84 7.116 3.113 38.601 1 ? 5.396e+00 0.00e+00 e 0 1416 1409 1407 0 >> 85 4.550 2.940 38.601 1 ? 9.809e+00 0.00e+00 e 0 1406 1408 1407 0 >> 86 4.566 3.112 38.601 1 ? 8.247e+00 0.00e+00 e 0 1406 1409 1407 0 >> 87 0.914 2.944 27.219 1 ? 4.135e-01 0.00e+00 e 0 2010 1909 1907 0 >> 88 4.159 0.909 24.593 1 ? 8.829e-01 0.00e+00 e 0 2407 3813 3815 0 >> 89 2.111 1.043 21.091 1 ? 6.364e+00 0.00e+00 e 0 2608 2610 2615 0 >> 90 0.519 2.108 30.721 1 ? 6.548e-01 0.00e+00 e 0 4610 4309 4307 0 >> 91 2.383 2.137 28.970 1 ? 2.460e+01 0.00e+00 e 0 0 0 0 0 >> 92 1.854 2.256 31.597 1 ? 8.942e+00 0.00e+00 e 0 3108 3109 3107 0 >> 93 3.293 4.157 57.863 1 ? 4.752e+00 0.00e+00 e 0 0 0 0 0 >> 94 1.431 2.942 32.472 1 ? 2.182e-01 0.00e+00 e 0 3507 2808 2807 0 >> 95 0.838 4.532 59.614 1 ? 1.583e+00 0.00e+00 e 0 2713 2606 2605 0 >> 96 2.268 4.244 55.236 1 ? 3.874e+00 0.00e+00 e 0 7012 7006 7005 0 >> 97 1.132 1.818 27.219 1 ? 4.376e+00 0.00e+00 e 0 3714 3712 3711 0 >> 98 1.557 2.093 30.721 1 ? 5.846e-01 0.00e+00 e 0 6213 4309 4307 0 >> 99 2.362 4.485 55.236 1 ? 3.799e-01 0.00e+00 e 0 4012 4006 4005 0 >> 100 1.722 2.748 42.979 1 ? 2.621e-01 0.00e+00 e 0 3009 3017 3015 0 >> 101 1.320 2.746 42.979 1 ? 6.660e-01 0.00e+00 e 0 3013 3017 3015 0 >> 102 1.724 2.460 42.979 1 ? 1.784e-01 0.00e+00 e 0 3008 3016 3015 0 >> 103 1.479 5.055 52.610 1 ? 4.439e-01 0.00e+00 e 0 2709 2706 2705 0 >> 104 4.142 0.777 23.717 1 ? 6.268e-01 0.00e+00 e 0 2806 2714 2719 0 >> 105 4.132 3.388 32.472 1 ? 4.760e-01 0.00e+00 e 0 2806 2809 2807 0 >> 106 5.050 1.257 42.979 1 ? 5.900e-01 0.00e+00 e 0 2706 2708 2707 0 >> 107 1.452 0.772 23.717 1 ? 2.915e-01 0.00e+00 e 0 2709 2714 2719 0 >> 108 4.164 1.546 41.228 1 ? 5.120e-02 0.00e+00 e 0 1806 2108 2107 0 >> 109 3.937 2.061 16.713 1 ? 5.272e-01 0.00e+00 e 0 2406 2316 2317 0 >> 110 5.069 4.124 45.605 1 ? 3.800e-02 0.00e+00 e 0 2706 3407 3405 0 >> 111 1.879 1.034 21.091 1 ? 1.664e+00 0.00e+00 e 0 3913 2610 2615 0 >> 112 2.113 4.533 59.614 1 ? 3.210e+00 0.00e+00 e 0 2608 2606 2605 0 >> 113 3.911 4.527 59.614 1 ? 2.747e-01 0.00e+00 e 0 2506 2606 2605 0 >> 114 4.428 5.046 53.485 1 ? 4.006e-01 0.00e+00 e 0 3607 2706 2705 0 >> 115 1.488 4.410 63.116 1 ? 1.666e-01 0.00e+00 e 0 2912 2906 2905 0 >> 116 2.004 4.410 63.116 1 ? 9.118e-01 0.00e+00 e 0 2908 2906 2905 0 >> 117 2.057 4.510 55.236 1 ? 3.419e+00 0.00e+00 e 0 2308 2306 2305 0 >> 118 2.576 4.521 55.236 1 ? 8.670e-01 0.00e+00 e 0 2313 2306 2305 0 >> 119 2.207 4.515 55.236 1 ? 3.800e+00 0.00e+00 e 0 2309 2306 2305 0 >> 120 2.198 2.607 32.472 1 ? 4.159e-01 0.00e+00 e 0 2309 2312 2311 0 >> 121 2.054 2.607 32.472 1 ? 1.317e+00 0.00e+00 e 0 2308 2313 2311 0 >> 122 0.898 2.088 32.472 1 ? 1.270e+01 0.00e+00 e 0 2010 2008 2007 0 >> 123 3.933 0.931 21.091 1 ? 4.229e+00 0.00e+00 e 0 2006 2009 2011 0 >> 124 2.096 1.989 32.472 1 ? 1.564e+01 0.00e+00 e 0 0 0 0 0 >> 125 1.774 1.040 21.091 1 ? 1.421e-01 0.00e+00 e 0 3912 2610 2615 0 >> 126 3.108 4.169 56.987 1 ? 8.558e-01 0.00e+00 e 0 1017 1006 1005 0 >> 127 1.427 4.169 56.987 1 ? 6.088e+00 0.00e+00 e 0 1013 1006 1005 0 >> 128 4.161 3.113 43.854 1 ? 3.327e-01 0.00e+00 e 0 1006 1017 1015 0 >> 129 1.714 4.089 54.361 1 ? 6.593e-01 0.00e+00 e 0 3009 3006 3005 0 >> 130 3.439 4.089 54.361 1 ? 2.857e+00 0.00e+00 e 0 3116 3006 3005 0 >> 131 4.072 3.993 50.858 1 ? 6.064e+00 0.00e+00 e 0 3006 3115 3104 0 >> 132 4.076 3.434 50.858 1 ? 7.302e+00 0.00e+00 e 0 3006 3116 3104 0 >> 133 3.878 3.770 50.858 1 ? 9.800e+00 0.00e+00 e 0 4116 4115 4104 0 >> 134 4.171 1.745 29.846 1 ? 4.530e-02 0.00e+00 e 0 4406 4412 4411 0 >> 135 3.432 4.238 63.991 1 ? 2.545e-01 0.00e+00 e 0 3116 3106 3105 0 >> 136 1.843 4.242 63.991 1 ? 2.111e+00 0.00e+00 e 0 3108 3106 3105 0 >> 137 1.969 4.238 63.991 1 ? 1.932e+00 0.00e+00 e 0 3112 3106 3105 0 >> 138 2.056 4.245 63.991 1 ? 1.126e+00 0.00e+00 e 0 3113 3106 3105 0 >> 139 2.258 4.246 63.991 1 ? 3.245e+00 0.00e+00 e 0 3109 3106 3105 0 >> 140 4.237 1.843 31.597 1 ? 3.738e+00 0.00e+00 e 0 3106 3108 3107 0 >> 141 4.247 2.259 31.597 1 ? 3.011e+00 0.00e+00 e 0 3106 3109 3107 0 >> 142 2.260 1.846 31.597 1 ? 1.123e+01 0.00e+00 e 0 3109 3108 3107 0 >> 143 2.005 1.875 31.597 1 ? 4.848e+01 0.00e+00 e 0 0 0 0 0 >> 144 2.059 2.258 31.597 1 ? 1.133e+01 0.00e+00 e 0 3113 3109 3107 0 >> 145 3.439 1.840 31.597 1 ? 6.362e-01 0.00e+00 e 0 3116 3108 3107 0 >> 146 3.445 2.264 31.597 1 ? 3.718e-01 0.00e+00 e 0 3116 3109 3107 0 >> 147 1.862 2.137 29.846 1 ? -7.800e-03 0.00e+00 e 0 4308 4309 4307 0 >> 148 2.216 1.924 28.970 1 ? 3.494e+01 0.00e+00 e 0 1313 1308 1307 0 >> 149 2.224 1.989 28.970 1 ? 5.921e+01 0.00e+00 e 0 0 0 0 0 >> 150 3.430 2.084 28.095 1 ? 1.656e+00 0.00e+00 e 0 3116 3113 3111 0 >> 151 3.450 1.987 28.095 1 ? 5.501e-01 0.00e+00 e 0 3116 3112 3111 0 >> 152 2.094 3.992 50.858 1 ? 3.725e-01 0.00e+00 e 0 3113 3115 3104 0 >> 153 2.246 3.998 50.858 1 ? 1.838e-01 0.00e+00 e 0 3109 3115 3104 0 >> 154 2.068 3.442 50.858 1 ? 5.170e-01 0.00e+00 e 0 3113 3116 3104 0 >> 155 2.062 3.868 50.858 1 ? 1.474e+00 0.00e+00 e 0 4113 4116 4104 0 >> 156 4.473 3.770 50.858 1 ? 5.397e+00 0.00e+00 e 0 4006 4115 4104 0 >> 157 3.767 3.865 50.858 1 ? 9.622e+00 0.00e+00 e 0 4115 4116 4104 0 >> 158 2.059 3.768 50.858 1 ? 6.205e+00 0.00e+00 e 0 4112 4115 4104 0 >> 159 2.001 1.499 27.219 1 ? 7.940e+00 0.00e+00 e 0 2908 2912 2911 0 >> 160 2.464 1.498 27.219 1 ? 3.245e+00 0.00e+00 e 0 3016 2912 2911 0 >> 161 2.945 4.381 59.614 1 ? 4.454e+00 0.00e+00 e 0 1909 1906 1905 0 >> 162 4.374 2.943 27.219 1 ? 3.836e+00 0.00e+00 e 0 1906 1909 1907 0 >> 163 3.946 2.938 27.219 1 ? 5.230e-02 0.00e+00 e 0 0 1909 1907 0 >> 164 4.518 2.562 29.846 1 ? 2.800e+00 0.00e+00 e 0 3306 3308 3307 0 >> 165 3.040 2.560 29.846 1 ? 5.854e+00 0.00e+00 e 0 3309 3308 3307 0 >> 166 1.698 3.049 29.846 1 ? 8.089e-01 0.00e+00 e 0 3008 3309 3307 0 >> 167 2.557 3.042 29.846 1 ? 5.750e+00 0.00e+00 e 0 3308 3309 3307 0 >> 168 4.511 3.054 29.846 1 ? 3.066e-01 0.00e+00 e 0 3306 3309 3307 0 >> 169 4.627 2.741 38.601 1 ? 3.429e+00 0.00e+00 e 0 906 908 907 0 >> 170 4.632 2.768 38.601 1 ? 3.417e+00 0.00e+00 e 0 906 909 907 0 >> 171 3.921 4.457 44.730 1 ? 9.377e+00 0.00e+00 e 0 2506 2507 2505 0 >> 172 1.416 4.300 52.610 1 ? 1.028e+01 0.00e+00 e 0 1607 1606 1605 0 >> 173 4.304 1.420 19.340 1 ? 1.317e+01 0.00e+00 e 0 1606 1607 1608 0 >> 174 4.459 3.918 44.730 1 ? 1.187e+01 0.00e+00 e 0 2507 2506 2505 0 >> 175 3.911 4.120 46.481 1 ? 3.841e+01 0.00e+00 e 0 3406 3407 3405 0 >> 176 0.879 3.902 44.730 1 ? 9.860e-02 0.00e+00 e 0 3813 2506 2505 0 >> 177 0.865 4.124 45.605 1 ? 6.448e-01 0.00e+00 e 0 4709 5506 5505 0 >> 178 2.023 2.269 36.850 1 ? 4.439e+01 0.00e+00 e 0 1808 1813 1811 0 >> 179 2.023 2.268 35.975 1 ? 4.696e-01 0.00e+00 e 0 1809 1812 1811 0 >> 180 2.261 1.966 30.721 1 ? 2.953e-01 0.00e+00 e 0 513 508 507 0 >> 181 2.127 1.859 28.970 1 ? 2.113e+01 0.00e+00 e 0 0 0 0 0 >> 182 2.214 4.198 56.112 1 ? 3.333e+00 0.00e+00 e 0 1312 1306 1305 0 >> 183 1.927 4.202 56.112 1 ? 2.137e+01 0.00e+00 e 0 1309 1306 1305 0 >> 184 2.939 4.542 57.863 1 ? 6.868e+00 0.00e+00 e 0 1408 1406 1405 0 >> 185 3.103 4.534 57.863 1 ? 5.858e+00 0.00e+00 e 0 1409 1406 1405 0 >> 186 7.098 4.536 57.863 1 ? 4.990e+00 0.00e+00 e 0 1123 1106 1105 0 >> 187 1.233 0.848 25.468 1 ? 7.292e-01 0.00e+00 e 0 2708 2713 2715 0 >> 188 2.309 4.155 57.863 1 ? 7.428e+00 0.00e+00 e 0 1713 1706 1705 0 >> 189 2.470 4.164 57.863 1 ? 7.700e-02 0.00e+00 e 0 0 2806 2805 0 >> 190 0.868 4.175 56.987 1 ? 9.730e+00 0.00e+00 e 0 2114 1806 1805 0 >> 191 1.547 4.171 56.987 1 ? 8.570e-02 0.00e+00 e 0 2108 1806 1805 0 >> 192 3.551 1.035 21.091 1 ? 8.354e-01 0.00e+00 e 0 3915 2610 2615 0 >> 193 3.191 1.038 21.091 1 ? 6.580e-02 0.00e+00 e 0 6217 2610 2615 0 >> 194 3.045 1.034 21.091 1 ? 9.268e-01 0.00e+00 e 0 6522 2610 2615 0 >> 195 0.861 4.435 44.730 1 ? 5.920e-02 0.00e+00 e 0 3813 2507 2505 0 >> 196 1.693 1.436 27.219 1 ? 1.284e+01 0.00e+00 e 0 1008 1012 1011 0 >> 197 3.488 0.769 23.717 1 ? 2.601e-01 0.00e+00 e 0 3606 2714 2719 0 >> 198 1.467 0.853 25.468 1 ? 1.133e+01 0.00e+00 e 0 2709 2713 2715 0 >> 199 3.748 1.036 21.091 1 ? 8.747e-01 0.00e+00 e 0 3916 2610 2615 0 >> 200 1.419 4.334 52.610 1 ? 5.180e+00 0.00e+00 e 0 7907 7906 7905 0 >> 201 1.860 4.250 56.112 1 ? 8.473e-01 0.00e+00 e 0 7808 7806 7805 0 >> 202 2.246 4.251 56.112 1 ? 1.115e+00 0.00e+00 e 0 7813 7806 7805 0 >> 203 7.268 4.651 57.863 1 ? 2.450e-01 0.00e+00 e 0 7716 7706 7705 0 >> 204 3.025 4.656 57.863 1 ? 1.526e+00 0.00e+00 e 0 7708 7706 7705 0 >> 205 3.108 4.655 57.863 1 ? 1.179e+00 0.00e+00 e 0 7709 7706 7705 0 >> 206 4.659 3.117 39.477 1 ? 4.824e-01 0.00e+00 e 0 7706 7709 7707 0 >> 207 4.649 3.015 39.477 1 ? 2.205e-01 0.00e+00 e 0 7706 7708 7707 0 >> 208 7.277 3.117 39.477 1 ? 3.122e-01 0.00e+00 e 0 7716 7709 7707 0 >> 209 3.011 3.120 39.477 1 ? 7.572e+01 0.00e+00 e 0 7708 7709 7707 0 >> 210 3.120 3.017 39.477 1 ? 2.935e+01 0.00e+00 e 0 7709 7708 7707 0 >> 211 0.840 4.034 62.240 1 ? 3.226e+00 0.00e+00 e 0 7610 7606 7605 0 >> 212 1.966 4.036 62.240 1 ? 1.694e+00 0.00e+00 e 0 7608 7606 7605 0 >> 213 4.031 1.962 33.348 1 ? 4.027e-01 0.00e+00 e 0 7606 7608 7607 0 >> 214 0.838 1.961 33.348 1 ? 3.672e+00 0.00e+00 e 0 7610 7608 7607 0 >> 215 1.963 0.838 20.215 1 ? 5.953e+00 0.00e+00 e 0 7608 7609 7611 0 >> 216 4.034 0.840 20.215 1 ? 5.224e+00 0.00e+00 e 0 7606 7609 7611 0 >> 217 4.037 0.836 21.091 1 ? 6.561e+00 0.00e+00 e 0 7606 7610 7615 0 >> 218 1.326 4.312 52.610 1 ? 7.497e+00 0.00e+00 e 0 7507 7506 7505 0 >> 219 4.310 1.321 19.340 1 ? 6.420e+00 0.00e+00 e 0 7506 7507 7508 0 >> 220 3.762 4.288 58.738 1 ? 6.604e+00 0.00e+00 e 0 7409 7406 7405 0 >> 221 4.286 3.760 63.992 1 ? 1.955e+00 0.00e+00 e 0 7406 7409 7407 0 >> 222 2.704 3.738 60.489 1 ? 2.137e+00 0.00e+00 e 0 7308 7306 7305 0 >> 223 2.909 3.747 60.489 1 ? 1.679e+00 0.00e+00 e 0 7309 7306 7305 0 >> 224 7.782 3.749 60.489 1 ? 2.760e+00 0.00e+00 e 0 6918 7306 7305 0 >> 225 2.690 2.901 30.721 1 ? 5.495e+00 0.00e+00 e 0 7308 7309 7307 0 >> 226 2.907 2.693 30.721 1 ? 6.019e+00 0.00e+00 e 0 7309 7308 7307 0 >> 227 3.753 2.902 30.721 1 ? 4.077e-01 0.00e+00 e 0 7306 7309 7307 0 >> 228 3.750 2.692 30.721 1 ? 6.591e-01 0.00e+00 e 0 7306 7308 7307 0 >> 229 3.106 2.916 30.721 1 ? 2.510e-02 0.00e+00 e 0 6408 7309 7307 0 >> 230 2.376 4.344 56.987 1 ? 4.104e+00 0.00e+00 e 0 7212 7206 7205 0 >> 231 2.114 4.342 56.987 1 ? 5.518e+00 0.00e+00 e 0 7209 7206 7205 0 >> 232 1.925 4.346 56.987 1 ? 3.188e+00 0.00e+00 e 0 7208 7206 7205 0 >> 233 1.900 2.374 36.850 1 ? 9.202e+00 0.00e+00 e 0 7208 7213 7211 0 >> 234 2.118 2.375 36.850 1 ? 1.564e+01 0.00e+00 e 0 7209 7213 7211 0 >> 235 4.362 1.902 30.721 1 ? 4.489e+00 0.00e+00 e 0 7206 7208 7207 0 >> 236 4.364 2.106 30.721 1 ? 1.037e+01 0.00e+00 e 0 7206 7209 7207 0 >> 237 4.028 2.108 30.721 1 ? 7.900e-02 0.00e+00 e 0 6206 4309 4307 0 >> 238 3.193 2.106 30.721 1 ? 9.648e-01 0.00e+00 e 0 6217 4309 4307 0 >> 239 2.114 1.908 30.721 1 ? 6.464e+01 0.00e+00 e 0 7209 7208 7207 0 >> 240 1.932 2.098 30.721 1 ? 1.154e+02 0.00e+00 e 0 7208 7209 7207 0 >> 241 2.349 1.900 30.721 1 ? 2.213e+01 0.00e+00 e 0 7213 7208 7207 0 >> 242 2.343 2.110 30.721 1 ? 3.236e+01 0.00e+00 e 0 7213 7209 7207 0 >> 243 4.078 3.910 45.605 1 ? 2.174e+01 0.00e+00 e 0 7107 7106 7105 0 >> 244 3.909 4.083 45.605 1 ? 1.930e+01 0.00e+00 e 0 7106 7107 7105 0 >> 245 2.140 4.238 55.236 1 ? 1.007e+01 0.00e+00 e 0 7009 7006 7005 0 >> 246 1.837 4.240 55.236 1 ? 4.549e+00 0.00e+00 e 0 7008 7006 7005 0 >> 247 2.392 4.203 55.236 1 ? 7.300e-03 0.00e+00 e 0 7013 7006 7005 0 >> 248 4.223 1.834 30.721 1 ? 4.417e+00 0.00e+00 e 0 7006 7008 7007 0 >> 249 4.222 2.121 30.721 1 ? 3.293e+00 0.00e+00 e 0 7006 7009 7007 0 >> 250 2.370 2.118 30.721 1 ? 4.932e+00 0.00e+00 e 0 7013 7009 7007 0 >> 251 2.376 1.838 30.721 1 ? 1.057e+00 0.00e+00 e 0 7013 7008 7007 0 >> 252 2.266 1.834 30.721 1 ? 1.683e+00 0.00e+00 e 0 7012 7008 7007 0 >> 253 2.272 2.121 30.721 1 ? 3.497e+00 0.00e+00 e 0 7012 7009 7007 0 >> 254 1.849 2.118 30.721 1 ? 3.140e+01 0.00e+00 e 0 7008 7009 7007 0 >> 255 2.124 1.827 30.721 1 ? 1.722e+01 0.00e+00 e 0 7009 7008 7007 0 >> 256 1.828 2.387 35.975 1 ? 5.884e+00 0.00e+00 e 0 7008 7013 7011 0 >> 257 1.825 2.273 35.975 1 ? 2.367e+00 0.00e+00 e 0 7008 7012 7011 0 >> 258 4.221 2.266 35.975 1 ? 1.122e+01 0.00e+00 e 0 7006 7012 7011 0 >> 259 4.255 2.386 35.975 1 ? 4.225e+00 0.00e+00 e 0 7006 7013 7011 0 >> 260 2.417 2.270 35.975 1 ? 8.070e-01 0.00e+00 e 0 7013 7012 7011 0 >> 261 2.268 2.395 35.975 1 ? 5.286e+00 0.00e+00 e 0 7012 7013 7011 0 >> 262 3.122 4.642 51.734 1 ? 4.133e+00 0.00e+00 e 0 6908 6906 6905 0 >> 263 3.000 4.635 51.734 1 ? 3.317e+00 0.00e+00 e 0 6909 6906 6905 0 >> 264 2.993 3.124 31.597 1 ? 1.242e+00 0.00e+00 e 0 6909 6908 6907 0 >> 265 4.639 2.995 31.597 1 ? 2.539e+00 0.00e+00 e 0 6906 6909 6907 0 >> 266 4.661 3.122 31.597 1 ? 2.901e+00 0.00e+00 e 0 6906 6908 6907 0 >> 267 3.124 2.991 31.597 1 ? 3.071e+00 0.00e+00 e 0 6908 6909 6907 0 >> 268 4.533 2.962 38.601 1 ? 4.571e+00 0.00e+00 e 0 1106 1108 1107 0 >> 269 2.945 3.073 38.601 1 ? 2.239e+01 0.00e+00 e 0 1108 1109 1107 0 >> 270 3.068 2.961 38.601 1 ? 1.721e+01 0.00e+00 e 0 1109 1108 1107 0 >> 271 7.087 2.954 38.601 1 ? 5.147e+00 0.00e+00 e 0 1116 1108 1107 0 >> 272 7.081 3.068 38.601 1 ? 2.978e+00 0.00e+00 e 0 1116 1109 1107 0 >> 273 4.528 3.072 38.601 1 ? 3.514e+00 0.00e+00 e 0 1106 1109 1107 0 >> 274 1.612 4.168 52.610 1 ? 6.487e+00 0.00e+00 e 0 6707 6706 6705 0 >> 275 2.439 4.169 52.610 1 ? 4.477e-01 0.00e+00 e 0 6008 6706 6705 0 >> 276 5.189 4.166 52.610 1 ? 1.680e+00 0.00e+00 e 0 6006 6706 6705 0 >> 277 7.278 4.168 52.610 1 ? 2.444e+00 0.00e+00 e 0 5812 6706 6705 0 >> 278 2.397 1.609 18.464 1 ? 5.485e-01 0.00e+00 e 0 6008 6707 6708 0 >> 279 4.166 1.613 18.464 1 ? 6.370e+00 0.00e+00 e 0 6706 6707 6708 0 >> 280 5.194 1.614 18.464 1 ? 5.189e-01 0.00e+00 e 0 6006 6707 6708 0 >> 281 7.281 1.610 18.464 1 ? 4.292e+00 0.00e+00 e 0 5812 6707 6708 0 >> 282 2.377 4.707 55.236 1 ? 3.509e+00 0.00e+00 e 0 6608 6606 6605 0 >> 283 2.442 4.701 55.236 1 ? 6.310e-01 0.00e+00 e 0 6613 6606 6605 0 >> 284 1.483 4.701 55.236 1 ? 4.686e-01 0.00e+00 e 0 6513 6606 6605 0 >> 285 3.019 4.701 55.236 1 ? 1.144e-01 0.00e+00 e 0 6522 6606 6605 0 >> 286 2.461 2.394 31.597 1 ? 1.252e+01 0.00e+00 e 0 6612 6608 6607 0 >> 287 6.997 4.187 58.738 1 ? 3.758e+00 0.00e+00 e 0 6024 6506 6505 0 >> 288 1.470 4.190 58.738 1 ? 5.864e-01 0.00e+00 e 0 6513 6506 6505 0 >> 289 4.182 1.754 28.970 1 ? 1.601e-01 0.00e+00 e 0 6506 6509 6507 0 >> 290 1.419 1.760 28.970 1 ? 2.513e+00 0.00e+00 e 0 6512 6509 6507 0 >> 291 1.629 1.761 28.970 1 ? 1.087e+01 0.00e+00 e 0 6508 6509 6507 0 >> 292 1.766 1.630 28.970 1 ? 1.519e+01 0.00e+00 e 0 6509 6508 6507 0 >> 293 1.415 1.628 28.970 1 ? 5.222e+00 0.00e+00 e 0 6513 6508 6507 0 >> 294 3.044 1.756 28.970 1 ? 2.349e+00 0.00e+00 e 0 6522 6509 6507 0 >> 295 3.057 1.651 28.970 1 ? 8.499e-01 0.00e+00 e 0 6522 6508 6507 0 >> 296 4.059 1.748 28.970 1 ? 1.217e+00 0.00e+00 e 0 3006 3009 3007 0 >> 297 2.039 1.751 28.970 1 ? 9.981e-01 0.00e+00 e 0 2308 6509 6507 0 >> 298 4.180 1.450 25.468 1 ? 1.547e-01 0.00e+00 e 0 6506 6513 6511 0 >> 299 1.762 1.445 25.468 1 ? 4.538e-01 0.00e+00 e 0 6509 6513 6511 0 >> 300 1.620 1.443 25.468 1 ? 2.752e+00 0.00e+00 e 0 6508 6513 6511 0 >> 301 1.624 1.401 25.468 1 ? 8.975e-01 0.00e+00 e 0 6508 6512 6511 0 >> 302 1.773 1.399 25.468 1 ? 3.468e-01 0.00e+00 e 0 6509 6512 6511 0 >> 303 4.420 1.392 25.468 1 ? 3.698e-01 0.00e+00 e 0 6306 6512 6511 0 >> 304 1.760 3.054 42.979 1 ? 2.702e-01 0.00e+00 e 0 6509 6522 6519 0 >> 305 1.611 3.042 42.979 1 ? 2.741e-01 0.00e+00 e 0 6508 6522 6519 0 >> 306 1.413 3.048 42.979 1 ? 5.890e-01 0.00e+00 e 0 6512 6522 6519 0 >> 307 3.126 4.962 58.738 1 ? 4.912e+00 0.00e+00 e 0 6408 6406 6405 0 >> 308 3.415 4.962 58.738 1 ? 4.460e+00 0.00e+00 e 0 6409 6406 6405 0 >> 309 4.950 3.115 32.472 1 ? 2.810e+00 0.00e+00 e 0 6406 6408 6407 0 >> 310 4.958 3.419 32.472 1 ? 3.494e+00 0.00e+00 e 0 6406 6409 6407 0 >> 311 3.114 3.411 32.472 1 ? 4.861e+00 0.00e+00 e 0 6408 6409 6407 0 >> 312 3.416 3.121 32.472 1 ? 4.964e+00 0.00e+00 e 0 6409 6408 6407 0 >> 313 2.916 3.443 32.472 1 ? 4.635e+00 0.00e+00 e 0 7309 6409 6407 0 >> 314 2.062 4.394 58.738 1 ? 2.032e+00 0.00e+00 e 0 2308 6306 6305 0 >> 315 2.221 4.390 58.738 1 ? 5.330e+00 0.00e+00 e 0 2309 6306 6305 0 >> 316 2.282 4.390 58.738 1 ? 5.424e-01 0.00e+00 e 0 6309 6306 6305 0 >> 317 4.403 2.327 35.975 1 ? 3.853e+00 0.00e+00 e 0 6306 6313 6311 0 >> 318 7.012 4.023 59.614 1 ? 1.014e+00 0.00e+00 e 0 6024 6206 6205 0 >> 319 2.122 4.023 59.614 1 ? 5.430e-02 0.00e+00 e 0 4309 6206 6205 0 >> 320 1.898 4.017 59.614 1 ? 2.000e-02 0.00e+00 e 0 4308 6206 6205 0 >> 321 1.812 4.014 59.614 1 ? 5.809e-01 0.00e+00 e 0 6209 6206 6205 0 >> 322 1.546 4.021 59.614 1 ? 5.958e-01 0.00e+00 e 0 6212 6206 6205 0 >> 323 1.057 4.027 59.614 1 ? 1.346e-01 0.00e+00 e 0 2610 6206 6205 0 >> 324 0.506 4.027 59.614 1 ? 3.356e-01 0.00e+00 e 0 4610 6206 6205 0 >> 325 0.498 1.786 30.721 1 ? 4.569e-01 0.00e+00 e 0 4610 6208 6207 0 >> 326 0.500 1.815 30.721 1 ? 5.539e-01 0.00e+00 e 0 4610 6208 6207 0 >> 327 1.576 1.787 30.721 1 ? 6.851e-01 0.00e+00 e 0 6212 6208 6207 0 >> 328 1.575 1.817 30.721 1 ? 6.314e-01 0.00e+00 e 0 6213 6209 6207 0 >> 329 4.046 1.560 27.219 1 ? 5.403e-01 0.00e+00 e 0 6206 6212 6211 0 >> 330 2.107 1.557 27.219 1 ? 8.211e-01 0.00e+00 e 0 4309 6213 6211 0 >> 331 1.907 1.555 27.219 1 ? 1.051e-01 0.00e+00 e 0 4308 6213 6211 0 >> 332 1.528 3.227 43.854 1 ? 5.528e-01 0.00e+00 e 0 6212 6216 6215 0 >> 333 1.556 3.154 43.854 1 ? 4.337e-01 0.00e+00 e 0 6213 6217 6215 0 >> 334 1.780 3.165 43.854 1 ? 8.218e-01 0.00e+00 e 0 6208 6217 6215 0 >> 335 1.913 3.157 43.854 1 ? 2.171e+00 0.00e+00 e 0 3913 6217 6215 0 >> 336 0.504 3.160 43.854 1 ? 3.270e-01 0.00e+00 e 0 4610 6217 6215 0 >> 337 0.505 3.238 43.854 1 ? 1.589e+00 0.00e+00 e 0 4610 6216 6215 0 >> 338 3.546 3.231 43.854 1 ? 5.638e+00 0.00e+00 e 0 4416 4417 4415 0 >> 339 1.910 3.228 43.854 1 ? 5.879e+00 0.00e+00 e 0 3913 6216 6215 0 >> 340 6.714 2.530 32.472 1 ? 1.622e+00 0.00e+00 e 0 6816 6108 6107 0 >> 341 6.704 3.693 32.472 1 ? 1.585e+00 0.00e+00 e 0 6816 6109 6107 0 >> 342 4.744 2.517 32.472 1 ? 5.131e-01 0.00e+00 e 0 6106 6108 6107 0 >> 343 4.744 3.689 32.472 1 ? 1.661e+00 0.00e+00 e 0 6106 6109 6107 0 >> 344 3.697 2.510 32.472 1 ? 1.514e-01 0.00e+00 e 0 6109 6108 6107 0 >> 345 2.510 3.692 32.472 1 ? 4.478e+00 0.00e+00 e 0 6108 6109 6107 0 >> 346 1.574 5.189 54.361 1 ? 1.243e-01 0.00e+00 e 0 6707 6006 6005 0 >> 347 2.425 5.194 54.361 1 ? 1.994e+00 0.00e+00 e 0 6008 6006 6005 0 >> 348 2.711 5.199 54.361 1 ? 2.399e+00 0.00e+00 e 0 6009 6006 6005 0 >> 349 4.167 5.193 54.361 1 ? 1.847e+00 0.00e+00 e 0 6706 6006 6005 0 >> 350 6.987 5.180 54.361 1 ? 2.881e-01 0.00e+00 e 0 6016 6006 6005 0 >> 351 2.441 2.738 42.103 1 ? 1.051e+01 0.00e+00 e 0 6008 6009 6007 0 >> 352 2.735 2.439 42.103 1 ? 9.015e+00 0.00e+00 e 0 6009 6008 6007 0 >> 353 5.199 2.716 42.103 1 ? 1.475e+00 0.00e+00 e 0 6006 6009 6007 0 >> 354 6.994 2.696 42.103 1 ? 2.099e+00 0.00e+00 e 0 6024 6009 6007 0 >> 355 7.024 2.437 42.103 1 ? 1.247e+00 0.00e+00 e 0 6016 6008 6007 0 >> 356 5.186 2.412 42.103 1 ? 1.209e+00 0.00e+00 e 0 6006 6008 6007 0 >> 357 4.868 5.482 49.983 1 ? 4.972e+00 0.00e+00 e 0 4706 5906 5905 0 >> 358 1.089 5.482 49.983 1 ? 5.319e+00 0.00e+00 e 0 5907 5906 5905 0 >> 359 0.887 5.476 49.983 1 ? 2.957e-01 0.00e+00 e 0 4709 5906 5905 0 >> 360 0.504 1.088 19.340 1 ? 7.095e-01 0.00e+00 e 0 4609 5907 5908 0 >> 361 0.867 1.084 19.340 1 ? 3.435e-01 0.00e+00 e 0 4709 5907 5908 0 >> 362 2.236 1.088 19.340 1 ? 4.074e+00 0.00e+00 e 0 4522 5907 5908 0 >> 363 2.446 1.085 19.340 1 ? 4.977e-01 0.00e+00 e 0 6008 5907 5908 0 >> 364 3.722 1.087 19.340 1 ? 3.953e-01 0.00e+00 e 0 4708 5907 5908 0 >> 365 4.026 1.091 19.340 1 ? 2.193e-01 0.00e+00 e 0 4506 5907 5908 0 >> 366 4.859 1.084 19.340 1 ? 2.937e+00 0.00e+00 e 0 4706 5907 5908 0 >> 367 5.484 1.087 19.340 1 ? 5.095e+00 0.00e+00 e 0 5906 5907 5908 0 >> 368 6.977 1.085 19.340 1 ? 5.184e-01 0.00e+00 e 0 6016 5907 5908 0 >> 369 3.097 4.618 58.738 1 ? 3.675e+00 0.00e+00 e 0 5808 5806 5805 0 >> 370 3.520 4.626 58.738 1 ? 2.234e+00 0.00e+00 e 0 5809 5806 5805 0 >> 371 7.318 4.620 58.738 1 ? 1.232e-01 0.00e+00 e 0 5816 5806 5805 0 >> 372 7.300 3.040 41.228 1 ? 8.368e-01 0.00e+00 e 0 5824 5808 5807 0 >> 373 3.521 3.067 41.228 1 ? 4.659e+00 0.00e+00 e 0 5809 5808 5807 0 >> 374 3.060 3.523 41.228 1 ? 5.197e+00 0.00e+00 e 0 5808 5809 5807 0 >> 375 4.631 3.509 41.228 1 ? 2.630e-01 0.00e+00 e 0 5806 5809 5807 0 >> 376 4.306 3.661 45.605 1 ? 1.133e+01 0.00e+00 e 0 5707 5706 5705 0 >> 377 3.658 4.313 45.605 1 ? 1.054e+01 0.00e+00 e 0 5706 5707 5705 0 >> 378 3.028 4.919 59.614 1 ? 3.495e+00 0.00e+00 e 0 5608 5606 5605 0 >> 379 3.186 4.924 59.614 1 ? 3.820e+00 0.00e+00 e 0 5609 5606 5605 0 >> 380 4.907 3.014 32.472 1 ? 1.660e+00 0.00e+00 e 0 5606 5608 5607 0 >> 381 4.916 3.171 32.472 1 ? 3.255e+00 0.00e+00 e 0 5606 5609 5607 0 >> 382 3.167 3.015 32.472 1 ? 1.085e+01 0.00e+00 e 0 5609 5608 5607 0 >> 383 3.020 3.182 32.472 1 ? 1.001e+01 0.00e+00 e 0 5608 5609 5607 0 >> 384 1.239 5.056 52.610 1 ? 1.746e+00 0.00e+00 e 0 2708 2706 2705 0 >> 385 0.872 4.408 55.236 1 ? 4.840e+00 0.00e+00 e 0 5414 5406 5405 0 >> 386 1.510 4.407 55.236 1 ? 3.986e+00 0.00e+00 e 0 5408 5406 5405 0 >> 387 4.375 1.650 42.979 1 ? 3.268e-01 0.00e+00 e 0 5406 5409 5407 0 >> 388 1.515 1.652 42.979 1 ? 1.467e+01 0.00e+00 e 0 5408 5409 5407 0 >> 389 0.896 1.654 42.979 1 ? 6.004e+00 0.00e+00 e 0 5414 5409 5407 0 >> 390 4.410 1.624 27.219 1 ? 2.582e-01 0.00e+00 e 0 5406 5412 5411 0 >> 391 0.836 1.623 27.219 1 ? 8.932e+00 0.00e+00 e 0 5414 5412 5411 0 >> 392 1.542 0.863 22.842 1 ? 1.005e+01 0.00e+00 e 0 5408 5414 5419 0 >> 393 1.621 0.863 22.842 1 ? 9.601e+00 0.00e+00 e 0 5412 5414 5419 0 >> 394 4.404 0.868 22.842 1 ? 6.547e+00 0.00e+00 e 0 5406 5414 5419 0 >> 395 1.644 0.910 24.593 1 ? 2.513e+00 0.00e+00 e 0 5412 5413 5415 0 >> 396 1.549 0.910 24.593 1 ? 4.071e+00 0.00e+00 e 0 5408 5413 5415 0 >> 397 3.813 4.109 45.605 1 ? 2.343e+01 0.00e+00 e 0 5306 5307 5305 0 >> 398 2.922 4.576 53.485 1 ? 5.357e+00 0.00e+00 e 0 5209 5206 5205 0 >> 399 2.850 4.576 53.485 1 ? 5.247e+00 0.00e+00 e 0 5208 5206 5205 0 >> 400 4.580 2.840 37.726 1 ? 3.208e+00 0.00e+00 e 0 5206 5208 5207 0 >> 401 4.570 2.934 37.726 1 ? 7.005e+00 0.00e+00 e 0 5206 5209 5207 0 >> 402 2.823 2.932 37.726 1 ? 2.757e+01 0.00e+00 e 0 5208 5209 5207 0 >> 403 2.930 2.841 37.726 1 ? 2.767e+01 0.00e+00 e 0 5209 5208 5207 0 >> 404 0.791 5.058 52.610 1 ? 3.773e+00 0.00e+00 e 0 2714 2706 2705 0 >> 405 4.118 3.905 46.481 1 ? 2.826e+01 0.00e+00 e 0 3407 3406 3405 0 >> 406 3.436 3.997 50.858 1 ? 4.535e+00 0.00e+00 e 0 3116 3115 3104 0 >> 407 4.002 3.432 50.858 1 ? 5.609e+00 0.00e+00 e 0 3115 3116 3104 0 >> 408 3.897 4.116 44.730 1 ? 3.205e+01 0.00e+00 e 0 5006 5007 5005 0 >> 409 4.120 3.901 44.730 1 ? 2.670e+01 0.00e+00 e 0 5007 5006 5005 0 >> 410 4.618 4.111 45.605 1 ? 4.458e+00 0.00e+00 e 0 4906 5507 5505 0 >> 411 4.110 4.624 56.112 1 ? -6.205e+00 0.00e+00 e 0 5507 4906 4905 0 >> 412 2.150 4.627 56.112 1 ? 2.816e-01 0.00e+00 e 0 4912 4906 4905 0 >> 413 1.972 4.625 56.112 1 ? 3.201e+00 0.00e+00 e 0 4909 4906 4905 0 >> 414 4.625 1.938 31.597 1 ? 6.618e-01 0.00e+00 e 0 4906 4908 4907 0 >> 415 4.628 2.004 31.597 1 ? 5.831e+00 0.00e+00 e 0 4906 4909 4907 0 >> 416 4.610 2.131 35.099 1 ? 1.956e+00 0.00e+00 e 0 4906 4912 4911 0 >> 417 1.959 2.131 35.099 1 ? 7.444e+00 0.00e+00 e 0 4908 4913 4911 0 >> 418 0.887 2.131 35.099 1 ? 6.286e-01 0.00e+00 e 0 4709 4912 4911 0 >> 419 3.491 4.578 59.614 1 ? 6.010e-01 0.00e+00 e 0 4809 4806 4805 0 >> 420 3.133 4.579 59.614 1 ? 1.061e+00 0.00e+00 e 0 4808 4806 4805 0 >> 421 1.138 4.578 59.614 1 ? 5.849e+00 0.00e+00 e 0 3713 4806 4805 0 >> 422 0.868 4.577 59.614 1 ? 4.669e-01 0.00e+00 e 0 4709 4806 4805 0 >> 423 1.102 3.158 28.970 1 ? 2.338e-01 0.00e+00 e 0 3713 4808 4807 0 >> 424 3.502 3.140 28.970 1 ? 5.848e+00 0.00e+00 e 0 4809 4808 4807 0 >> 425 3.134 3.493 28.970 1 ? 5.537e+00 0.00e+00 e 0 4808 4809 4807 0 >> 426 4.587 3.494 28.970 1 ? 2.129e+00 0.00e+00 e 0 4806 4809 4807 0 >> 427 4.579 3.152 28.970 1 ? 8.881e-01 0.00e+00 e 0 4806 4808 4807 0 >> 428 5.482 4.863 61.365 1 ? 4.248e+00 0.00e+00 e 0 5906 4706 4705 0 >> 429 3.728 4.867 61.365 1 ? 2.153e-01 0.00e+00 e 0 4708 4706 4705 0 >> 430 1.088 4.862 61.365 1 ? 1.337e+00 0.00e+00 e 0 5907 4706 4705 0 >> 431 0.868 4.864 61.365 1 ? 1.887e+00 0.00e+00 e 0 4709 4706 4705 0 >> 432 4.875 3.721 69.245 1 ? 6.933e-01 0.00e+00 e 0 4706 4708 4707 0 >> 433 2.154 3.725 69.245 1 ? 3.606e-01 0.00e+00 e 0 4913 4708 4707 0 >> 434 1.939 3.716 69.245 1 ? 1.827e-01 0.00e+00 e 0 4908 4708 4707 0 >> 435 0.880 3.726 69.245 1 ? 7.379e+00 0.00e+00 e 0 4709 4708 4707 0 >> 436 5.494 0.879 21.091 1 ? 1.308e+00 0.00e+00 e 0 5906 4709 4712 0 >> 437 4.864 0.882 21.091 1 ? 9.605e-01 0.00e+00 e 0 4706 4709 4712 0 >> 438 3.720 0.880 21.091 1 ? 6.851e+00 0.00e+00 e 0 4708 4709 4712 0 >> 439 0.164 3.875 60.489 1 ? 4.087e-01 0.00e+00 e 0 4608 4606 4605 0 >> 440 0.501 3.870 60.489 1 ? 7.092e+00 0.00e+00 e 0 4609 4606 4605 0 >> 441 0.498 0.171 32.472 1 ? 8.369e+00 0.00e+00 e 0 4610 4608 4607 0 >> 442 3.858 0.152 32.472 1 ? 4.093e-01 0.00e+00 e 0 4606 4608 4607 0 >> 443 5.492 0.152 32.472 1 ? 2.489e-01 0.00e+00 e 0 5906 4608 4607 0 >> 444 0.167 0.501 21.091 1 ? 3.763e+00 0.00e+00 e 0 4608 4610 4615 0 >> 445 1.037 0.501 21.091 1 ? 9.772e-01 0.00e+00 e 0 2610 4610 4615 0 >> 446 1.763 0.503 21.091 1 ? 1.313e+00 0.00e+00 e 0 3912 4610 4615 0 >> 447 1.912 0.506 21.091 1 ? 4.287e-01 0.00e+00 e 0 3913 4610 4615 0 >> 448 2.089 0.502 21.091 1 ? 1.479e+00 0.00e+00 e 0 3908 4610 4615 0 >> 449 2.234 0.503 21.091 1 ? 3.520e-01 0.00e+00 e 0 3909 4610 4615 0 >> 450 3.872 0.503 21.091 1 ? 2.257e+00 0.00e+00 e 0 4606 4610 4615 0 >> 451 4.026 0.504 21.091 1 ? 3.538e-01 0.00e+00 e 0 6206 4610 4615 0 >> 452 7.002 0.500 21.091 1 ? 3.637e-01 0.00e+00 e 0 6024 4610 4615 0 >> 453 0.163 0.502 23.717 1 ? 3.508e+00 0.00e+00 e 0 4608 4609 4611 0 >> 454 1.100 0.502 23.717 1 ? 6.800e-02 0.00e+00 e 0 5907 4609 4611 0 >> 455 1.434 0.502 23.717 1 ? 3.636e-01 0.00e+00 e 0 3507 4609 4611 0 >> 456 1.778 0.508 23.717 1 ? 2.207e+00 0.00e+00 e 0 3912 4609 4611 0 >> 457 3.868 0.502 23.717 1 ? 2.835e+00 0.00e+00 e 0 4606 4609 4611 0 >> 458 7.073 0.500 23.717 1 ? 2.717e+00 0.00e+00 e 0 6012 4609 4611 0 >> 459 -0.013 3.980 56.112 1 ? 6.824e-01 0.00e+00 e 0 4512 4506 4505 0 >> 460 0.501 3.979 56.112 1 ? 3.349e+00 0.00e+00 e 0 4509 4506 4505 0 >> 461 6.528 3.982 56.112 1 ? 1.821e-01 0.00e+00 e 0 6812 4506 4505 0 >> 462 6.702 3.987 56.112 1 ? 6.160e-01 0.00e+00 e 0 6816 4506 4505 0 >> 463 1.351 0.463 32.472 1 ? 7.234e-01 0.00e+00 e 0 4508 4509 4507 0 >> 464 0.492 1.343 32.472 1 ? 3.677e+00 0.00e+00 e 0 4509 4508 4507 0 >> 465 -0.010 0.480 32.472 1 ? 1.804e-01 0.00e+00 e 0 4512 4509 4507 0 >> 466 0.545 -0.012 24.593 1 ? 1.458e+00 0.00e+00 e 0 4513 4512 4511 0 >> 467 -0.003 0.537 24.593 1 ? 1.020e+00 0.00e+00 e 0 4512 4513 4511 0 >> 468 2.211 -0.006 24.593 1 ? 3.430e-01 0.00e+00 e 0 4522 4512 4511 0 >> 469 2.254 0.544 24.593 1 ? 5.978e-01 0.00e+00 e 0 4522 4513 4511 0 >> 470 3.987 0.523 24.593 1 ? 3.098e-01 0.00e+00 e 0 4506 4513 4511 0 >> 471 2.229 0.792 28.970 1 ? 4.066e-01 0.00e+00 e 0 4522 4516 4515 0 >> 472 2.206 0.955 28.970 1 ? 6.650e-01 0.00e+00 e 0 4522 4517 4515 0 >> 473 0.951 0.774 28.970 1 ? 6.337e+00 0.00e+00 e 0 4517 4516 4515 0 >> 474 0.774 0.947 28.970 1 ? 5.038e+00 0.00e+00 e 0 4516 4517 4515 0 >> 475 0.520 0.778 28.970 1 ? 2.332e+00 0.00e+00 e 0 4513 4516 4515 0 >> 476 0.531 0.952 28.970 1 ? 2.416e+00 0.00e+00 e 0 4513 4517 4515 0 >> 477 -0.013 0.945 28.970 1 ? 4.536e-01 0.00e+00 e 0 4512 4517 4515 0 >> 478 -0.024 0.778 28.970 1 ? 2.869e-01 0.00e+00 e 0 4512 4516 4515 0 >> 479 -0.002 2.218 41.228 1 ? 5.490e-01 0.00e+00 e 0 4512 4522 4519 0 >> 480 0.526 2.215 41.228 1 ? 1.875e+00 0.00e+00 e 0 4513 4522 4519 0 >> 481 0.758 2.225 41.228 1 ? 6.190e-01 0.00e+00 e 0 4516 4522 4519 0 >> 482 0.923 2.213 41.228 1 ? 1.484e+00 0.00e+00 e 0 4517 4522 4519 0 >> 483 1.083 2.219 41.228 1 ? 1.613e+00 0.00e+00 e 0 5907 4522 4519 0 >> 484 1.342 2.216 41.228 1 ? 1.387e-01 0.00e+00 e 0 4508 4522 4519 0 >> 485 3.244 4.204 57.863 1 ? 7.600e-02 0.00e+00 e 0 4417 4406 4405 0 >> 486 1.751 4.208 57.863 1 ? 9.120e-02 0.00e+00 e 0 4413 4406 4405 0 >> 487 2.058 4.211 57.863 1 ? 1.319e+00 0.00e+00 e 0 4409 4406 4405 0 >> 488 1.931 4.210 57.863 1 ? 9.980e-01 0.00e+00 e 0 4308 4406 4405 0 >> 489 2.063 1.744 29.846 1 ? 4.064e+00 0.00e+00 e 0 4409 4413 4411 0 >> 490 4.210 3.232 43.854 1 ? 7.426e-01 0.00e+00 e 0 4406 4417 4415 0 >> 491 2.070 3.227 43.854 1 ? 3.898e+00 0.00e+00 e 0 4409 4417 4415 0 >> 492 1.758 3.233 43.854 1 ? 8.867e-01 0.00e+00 e 0 4412 4417 4415 0 >> 493 2.763 4.457 54.361 1 ? 7.485e+00 0.00e+00 e 0 4209 4206 4205 0 >> 494 4.451 2.803 40.352 1 ? 3.272e+00 0.00e+00 e 0 4206 4209 4207 0 >> 495 4.455 2.736 40.352 1 ? 3.886e+00 0.00e+00 e 0 4206 4208 4207 0 >> 496 2.731 2.804 40.352 1 ? 2.747e+01 0.00e+00 e 0 4208 4209 4207 0 >> 497 2.800 2.736 40.352 1 ? 3.812e+01 0.00e+00 e 0 4209 4208 4207 0 >> 498 1.926 2.316 32.472 1 ? 2.510e+01 0.00e+00 e 0 4108 4109 4107 0 >> 499 2.046 2.317 32.472 1 ? 1.373e+01 0.00e+00 e 0 4113 4109 4107 0 >> 500 2.311 1.926 32.472 1 ? 7.910e+00 0.00e+00 e 0 4109 4108 4107 0 >> 501 3.874 2.322 32.472 1 ? 1.031e+00 0.00e+00 e 0 4106 4109 4107 0 >> 502 2.046 1.912 32.472 1 ? 3.476e+01 0.00e+00 e 0 4113 4108 4107 0 >> 503 4.351 2.315 32.472 1 ? 4.285e+00 0.00e+00 e 0 0 4109 4107 0 >> 504 4.343 1.926 32.472 1 ? 1.173e+00 0.00e+00 e 0 0 4108 4107 0 >> 505 3.782 2.068 27.219 1 ? 4.773e+00 0.00e+00 e 0 4115 4112 4111 0 >> 506 3.822 3.626 50.858 1 ? 1.154e+00 0.00e+00 e 0 2916 2915 2904 0 >> 507 3.633 3.813 50.858 1 ? 1.819e+00 0.00e+00 e 0 2915 2916 2904 0 >> 508 2.308 4.417 55.236 1 ? 2.244e+00 0.00e+00 e 0 4312 4306 4305 0 >> 509 2.106 4.420 55.236 1 ? 3.698e+00 0.00e+00 e 0 4309 4306 4305 0 >> 510 1.885 4.419 55.236 1 ? 3.819e+00 0.00e+00 e 0 4308 4306 4305 0 >> 511 2.122 1.898 29.846 1 ? 2.988e+02 0.00e+00 e 0 4309 4308 4307 0 >> 512 2.349 1.896 29.846 1 ? 1.777e+01 0.00e+00 e 0 4313 4308 4307 0 >> 513 4.387 1.885 29.846 1 ? 6.704e+00 0.00e+00 e 0 4306 4308 4307 0 >> 514 1.886 2.324 33.348 1 ? 1.854e-01 0.00e+00 e 0 4308 0 4311 0 >> 515 2.104 2.324 33.348 1 ? 2.029e-01 0.00e+00 e 0 4309 4313 4311 0 >> 516 4.426 2.325 33.348 1 ? 2.693e+00 0.00e+00 e 0 4306 4312 4311 0 >> 517 3.783 4.479 55.236 1 ? 6.181e+00 0.00e+00 e 0 4115 4006 4005 0 >> 518 3.852 4.479 55.236 1 ? 5.779e+00 0.00e+00 e 0 4116 4006 4005 0 >> 519 1.865 4.480 55.236 1 ? 1.795e+00 0.00e+00 e 0 4009 4006 4005 0 >> 520 2.041 4.600 62.240 1 ? 2.080e+00 0.00e+00 e 0 3908 3906 3905 0 >> 521 2.235 4.601 62.240 1 ? 2.369e+00 0.00e+00 e 0 3909 3906 3905 0 >> 522 2.020 2.225 32.472 1 ? 7.357e+01 0.00e+00 e 0 3908 3909 3907 0 >> 523 1.921 2.225 32.472 1 ? 3.709e+00 0.00e+00 e 0 3913 3909 3907 0 >> 524 4.602 2.229 32.472 1 ? 3.286e+00 0.00e+00 e 0 3906 3909 3907 0 >> 525 4.447 2.228 32.472 1 ? 3.455e-01 0.00e+00 e 0 2306 2309 2307 0 >> 526 4.613 2.036 32.472 1 ? 3.276e+00 0.00e+00 e 0 3906 3908 3907 0 >> 527 2.220 2.046 32.472 1 ? 1.189e+01 0.00e+00 e 0 3909 3908 3907 0 >> 528 1.884 2.050 32.472 1 ? 2.749e+00 0.00e+00 e 0 3913 3908 3907 0 >> 529 4.445 2.038 32.472 1 ? 6.643e-01 0.00e+00 e 0 2306 2308 2307 0 >> 530 0.501 2.221 32.472 1 ? 3.472e-01 0.00e+00 e 0 4609 3909 3907 0 >> 531 4.196 2.042 32.472 1 ? 4.970e-01 0.00e+00 e 0 4406 4409 4407 0 >> 532 1.740 2.055 32.472 1 ? 6.290e-02 0.00e+00 e 0 4412 4409 4407 0 >> 533 3.765 1.730 27.219 1 ? 1.473e+00 0.00e+00 e 0 3916 3912 3911 0 >> 534 3.573 1.733 27.219 1 ? 1.599e+00 0.00e+00 e 0 3915 3912 3911 0 >> 535 3.778 1.892 27.219 1 ? 1.827e+00 0.00e+00 e 0 3916 3913 3911 0 >> 536 3.573 1.885 27.219 1 ? 1.147e+00 0.00e+00 e 0 3915 3913 3911 0 >> 537 2.039 1.889 27.219 1 ? 3.676e-01 0.00e+00 e 0 3908 3913 3911 0 >> 538 2.038 1.727 27.219 1 ? 1.951e+00 0.00e+00 e 0 3908 3912 3911 0 >> 539 2.235 1.723 27.219 1 ? 1.350e+00 0.00e+00 e 0 3909 3912 3911 0 >> 540 1.894 1.729 27.219 1 ? 1.061e+01 0.00e+00 e 0 3913 3912 3911 0 >> 541 1.034 1.736 27.219 1 ? 4.780e-02 0.00e+00 e 0 2610 3912 3911 0 >> 542 1.036 1.880 27.219 1 ? 4.591e-01 0.00e+00 e 0 2610 3913 3911 0 >> 543 0.511 1.884 27.219 1 ? 1.278e+00 0.00e+00 e 0 4610 3913 3911 0 >> 544 0.492 1.724 27.219 1 ? 1.800e+00 0.00e+00 e 0 4609 3912 3911 0 >> 545 0.862 1.736 27.219 1 ? 7.347e-01 0.00e+00 e 0 3813 3912 3911 0 >> 546 4.965 3.565 49.983 1 ? 2.583e+00 0.00e+00 e 0 3806 3915 3904 0 >> 547 4.973 3.769 49.983 1 ? 3.925e+00 0.00e+00 e 0 3806 3916 3904 0 >> 548 3.568 3.772 49.983 1 ? 5.439e+00 0.00e+00 e 0 3915 3916 3904 0 >> 549 3.775 3.568 49.983 1 ? 3.710e+00 0.00e+00 e 0 3916 3915 3904 0 >> 550 1.738 3.769 49.983 1 ? 1.992e+00 0.00e+00 e 0 3912 3916 3904 0 >> 551 1.900 3.771 49.983 1 ? 4.902e+00 0.00e+00 e 0 3913 3916 3904 0 >> 552 1.727 3.570 49.983 1 ? 1.435e+00 0.00e+00 e 0 3912 3915 3904 0 >> 553 1.884 3.567 49.983 1 ? 1.080e+00 0.00e+00 e 0 3913 3915 3904 0 >> 554 0.856 3.571 49.983 1 ? 1.836e-01 0.00e+00 e 0 3813 3915 3904 0 >> 555 1.030 3.568 49.983 1 ? 4.140e-02 0.00e+00 e 0 2610 3915 3904 0 >> 556 1.040 3.767 49.983 1 ? 5.440e-02 0.00e+00 e 0 2610 3916 3904 0 >> 557 0.876 3.779 49.983 1 ? 4.137e-01 0.00e+00 e 0 3813 3916 3904 0 >> 558 0.453 3.781 49.983 1 ? 4.661e-01 0.00e+00 e 0 4609 3916 3904 0 >> 559 1.726 4.978 51.734 1 ? 6.601e-01 0.00e+00 e 0 3809 3806 3805 0 >> 560 1.463 4.975 51.734 1 ? 5.183e-01 0.00e+00 e 0 3808 3806 3805 0 >> 561 0.866 4.968 51.734 1 ? 3.267e+00 0.00e+00 e 0 3813 3806 3805 0 >> 562 3.560 4.975 51.734 1 ? 6.818e-01 0.00e+00 e 0 3915 3806 3805 0 >> 563 3.764 4.967 51.734 1 ? 8.099e-01 0.00e+00 e 0 3916 3806 3805 0 >> 564 1.451 1.700 42.103 1 ? 7.569e+00 0.00e+00 e 0 3808 3809 3807 0 >> 565 1.705 1.435 42.103 1 ? 5.389e+00 0.00e+00 e 0 3809 3808 3807 0 >> 566 0.859 1.696 42.103 1 ? 4.405e+00 0.00e+00 e 0 3813 3809 3807 0 >> 567 0.867 1.444 42.103 1 ? 4.023e+00 0.00e+00 e 0 3814 3808 3807 0 >> 568 1.508 0.866 24.593 1 ? 2.254e+01 0.00e+00 e 0 3812 3814 3819 0 >> 569 1.696 0.866 24.593 1 ? 1.656e+01 0.00e+00 e 0 3809 3814 3819 0 >> 570 2.060 0.863 24.593 1 ? 2.143e+00 0.00e+00 e 0 2316 3813 3815 0 >> 571 3.921 0.865 24.593 1 ? 2.224e+00 0.00e+00 e 0 2506 3814 3819 0 >> 572 4.975 0.865 24.593 1 ? 1.780e-01 0.00e+00 e 0 3806 3814 3819 0 >> 573 4.441 0.865 24.593 1 ? 2.386e+00 0.00e+00 e 0 2507 3813 3815 0 >> 574 1.640 4.410 55.236 1 ? 9.935e-01 0.00e+00 e 0 5409 5406 5405 0 >> 575 0.867 1.507 42.979 1 ? 5.726e+00 0.00e+00 e 0 5414 5408 5407 0 >> 576 4.419 3.473 45.605 1 ? 4.879e+00 0.00e+00 e 0 3607 3606 3605 0 >> 577 3.472 4.427 45.605 1 ? 5.086e+00 0.00e+00 e 0 3606 3607 3605 0 >> 578 5.046 4.420 45.605 1 ? 3.748e-01 0.00e+00 e 0 2706 3607 3605 0 >> 579 1.408 4.091 53.485 1 ? 6.273e+00 0.00e+00 e 0 3507 3506 3505 0 >> 580 2.928 1.415 20.215 1 ? 1.792e+00 0.00e+00 e 0 2808 3507 3508 0 >> 581 3.391 1.408 20.215 1 ? 1.613e+00 0.00e+00 e 0 2809 3507 3508 0 >> 582 4.091 1.407 20.215 1 ? 1.092e+01 0.00e+00 e 0 3506 3507 3508 0 >> 583 4.101 1.335 26.344 1 ? 5.535e-01 0.00e+00 e 0 3006 3013 3011 0 >> 584 7.783 2.925 30.721 1 ? 1.012e-01 0.00e+00 e 0 6918 7309 7307 0 >> 585 6.715 0.500 21.091 1 ? 4.536e-01 0.00e+00 e 0 6816 4610 4615 0 >> 586 7.052 0.500 21.091 1 ? 2.113e-01 0.00e+00 e 0 6012 4610 4615 0 >> 587 7.102 1.043 21.091 1 ? 6.870e-02 0.00e+00 e 0 6012 2610 2615 0 >> 588 4.159 2.714 42.103 1 ? 1.242e-01 0.00e+00 e 0 6706 6009 6007 0 >> 589 4.158 2.416 42.103 1 ? 1.926e-01 0.00e+00 e 0 6706 6008 6007 0 >> 590 4.126 2.960 32.472 1 ? 3.025e-01 0.00e+00 e 0 2806 2808 2807 0 >> 591 3.417 2.681 30.721 1 ? 2.419e-01 0.00e+00 e 0 6409 7308 7307 0 >> 592 3.409 2.922 30.721 1 ? 5.057e-01 0.00e+00 e 0 6409 7309 7307 0 >> 593 3.733 2.136 35.099 1 ? 4.130e-02 0.00e+00 e 0 4708 4912 4911 0 >> 594 7.012 0.502 23.717 1 ? 6.940e-02 0.00e+00 e 0 6016 4609 4611 0 >> 595 6.517 0.503 21.091 1 ? 1.799e-01 0.00e+00 e 0 6812 4610 4615 0 >> 596 4.039 3.227 43.854 1 ? 2.587e-01 0.00e+00 e 0 6206 6216 6215 0 >> 597 4.026 3.159 43.854 1 ? 1.256e-01 0.00e+00 e 0 6206 6217 6215 0 >> 598 3.049 1.734 29.846 1 ? 9.050e-01 0.00e+00 e 0 3309 3008 3007 0 >> 599 4.127 3.048 29.846 1 ? 4.050e-02 0.00e+00 e 0 3407 3309 3307 0 >> 600 3.128 2.672 30.721 1 ? 2.739e-01 0.00e+00 e 0 6408 7308 7307 0 >> 601 1.686 2.575 29.846 1 ? 4.153e-01 0.00e+00 e 0 3008 3308 3307 0 >> 602 2.589 2.227 32.472 1 ? 3.745e-01 0.00e+00 e 0 2312 2309 2307 0 >> 603 1.491 4.413 62.240 1 ? 3.087e-01 0.00e+00 e 0 2912 2906 2905 0 >> 604 2.003 4.409 62.240 1 ? 6.593e+00 0.00e+00 e 0 2908 2906 2905 0 >> 605 4.207 1.984 28.095 1 ? 1.664e+00 0.00e+00 e 0 3106 3112 3111 0 >> 606 1.324 3.990 56.112 1 ? 2.482e-01 0.00e+00 e 0 4508 4506 4505 0 >> 607 7.245 5.186 54.361 1 ? 5.317e-01 0.00e+00 e 0 5812 6006 6005 0 >> 608 4.154 0.862 24.593 1 ? 1.627e+00 0.00e+00 e 0 2407 3813 3815 0 >> 609 3.870 2.070 27.219 1 ? 1.143e+00 0.00e+00 e 0 4116 4113 4111 0 >> 610 4.343 2.069 27.219 1 ? 5.425e-01 0.00e+00 e 0 0 0 0 0 >> 611 4.007 2.065 28.095 1 ? 7.337e-01 0.00e+00 e 0 3115 3113 3111 0 >> 612 3.220 1.552 27.219 1 ? 8.787e-01 0.00e+00 e 0 6216 6212 6211 0 >> 613 3.352 1.491 27.219 1 ? 6.000e-02 0.00e+00 e 0 2809 2912 2911 0 >> 614 0.466 2.011 32.472 1 ? 4.990e-02 0.00e+00 e 0 4609 3908 3907 0 >> 615 2.705 3.125 32.472 1 ? 3.269e-01 0.00e+00 e 0 7308 6408 6407 0 >> 616 2.261 3.224 43.854 1 ? 4.573e-01 0.00e+00 e 0 3909 6216 6215 0 >> 617 0.516 4.600 62.240 1 ? 4.940e-02 0.00e+00 e 0 4609 3906 3905 0 >> 618 4.613 0.511 21.091 1 ? 5.304e-01 0.00e+00 e 0 3906 4610 4615 0 >> 619 6.741 1.092 19.340 1 ? 4.123e-01 0.00e+00 e 0 6816 5907 5908 0 >> 620 0.007 1.084 19.340 1 ? 2.421e-01 0.00e+00 e 0 4512 5907 5908 0 >> 621 7.280 2.439 42.103 1 ? 4.609e-01 0.00e+00 e 0 5812 6008 6007 0 >> 622 6.552 2.269 35.975 1 ? 7.689e-01 0.00e+00 e 0 6812 7012 7011 0 >> 623 6.802 2.917 38.601 1 ? 6.724e-01 0.00e+00 e 0 1412 1408 1407 0 >> 624 6.826 3.124 38.601 1 ? 3.000e-01 0.00e+00 e 0 1412 1409 1407 0 >> 625 7.130 4.612 57.863 1 ? 2.546e+00 0.00e+00 e 0 816 806 805 0 >> 626 6.807 4.540 57.863 1 ? 3.232e-01 0.00e+00 e 0 1412 1406 1405 0 >> 627 7.354 3.495 41.228 1 ? 1.936e-01 0.00e+00 e 0 5816 5809 5807 0 >> 628 3.986 1.817 30.721 1 ? 3.177e-01 0.00e+00 e 0 6206 6209 6207 0 >> 629 3.200 1.814 30.721 1 ? 1.140e+00 0.00e+00 e 0 6217 6209 6207 0 >> 630 3.758 1.931 32.472 1 ? 2.674e-01 0.00e+00 e 0 4115 4108 4107 0 >> 631 2.222 1.983 28.095 1 ? 1.320e+01 0.00e+00 e 0 3109 3112 3111 0 >> 632 1.882 2.071 28.095 1 ? 3.904e+00 0.00e+00 e 0 3108 3113 3111 0 >> 633 4.082 2.130 35.099 1 ? 4.120e-02 0.00e+00 e 0 5507 4913 4911 0 >> 634 1.135 3.493 28.970 1 ? 4.100e-02 0.00e+00 e 0 3713 4809 4807 0 >> 635 5.037 4.159 57.863 1 ? 4.530e-01 0.00e+00 e 0 2706 2806 2805 0 >> 636 3.112 4.615 57.863 1 ? 4.080e+00 0.00e+00 e 0 809 806 805 0 >> 637 2.915 4.615 57.863 1 ? 3.281e+00 0.00e+00 e 0 808 806 805 0 >> 638 1.986 4.536 57.863 1 ? 3.179e-01 0.00e+00 e 0 1309 1406 1405 0 >> 639 1.945 0.886 21.091 1 ? 6.885e-01 0.00e+00 e 0 4908 4709 4712 0 >> 640 0.512 1.419 20.215 1 ? 4.070e-02 0.00e+00 e 0 4609 3507 3508 0 >> 641 0.891 1.554 41.228 1 ? 4.477e+00 0.00e+00 e 0 2114 2108 2107 0 >> 642 1.079 3.969 56.112 1 ? 6.230e-02 0.00e+00 e 0 5907 4506 4505 0 >> 643 3.819 0.775 23.717 1 ? 1.143e-01 0.00e+00 e 0 2916 2714 2719 0 >> 644 4.111 2.740 42.979 1 ? 1.305e-01 0.00e+00 e 0 3006 3017 3015 0 >> 645 3.084 3.747 60.489 1 ? 2.440e-02 0.00e+00 e 0 6408 7306 7305 0 >> 646 4.638 3.072 41.228 1 ? 0.000e+00 0.00e+00 e 0 5806 5808 5807 0 >> 647 3.235 3.542 43.854 1 ? 0.000e+00 0.00e+00 e 0 4417 4416 4415 0 >> 648 2.051 3.544 43.854 1 ? 6.384e-02 0.00e+00 e 0 4408 4416 4415 0 >> 649 1.750 3.547 43.854 1 ? 0.000e+00 0.00e+00 e 0 4412 4416 4415 0 >> 650 2.151 1.416 20.215 1 ? 8.037e-02 0.00e+00 e 0 0 3507 3508 0 >> 651 0.511 1.041 21.091 1 ? 0.000e+00 0.00e+00 e 0 4609 2609 2611 0 >> 652 4.224 2.950 27.219 1 ? 3.004e-02 0.00e+00 e 0 1806 1909 1907 0 >> 653 1.989 2.946 27.219 1 ? 3.796e-02 0.00e+00 e 0 0 1909 1907 0 >> 654 2.560 4.505 60.489 1 ? 0.000e+00 0.00e+00 e 0 3308 3306 3305 0 >> 655 3.116 1.441 42.979 1 ? 9.332e-02 0.00e+00 e 0 0 0 0 0 >> 656 1.647 1.497 42.979 1 ? 0.000e+00 0.00e+00 e 0 5409 5408 5407 0 >> 657 4.429 1.506 42.979 1 ? 0.000e+00 0.00e+00 e 0 5406 5408 5407 0 >> 658 1.133 1.779 44.730 1 ? 0.000e+00 0.00e+00 e 0 3714 3708 3707 0 >> 659 1.121 1.432 44.730 1 ? 0.000e+00 0.00e+00 e 0 3714 3709 3707 0 >> 660 1.438 1.779 44.730 1 ? 0.000e+00 0.00e+00 e 0 3709 3708 3707 0 >> 661 1.784 1.432 44.730 1 ? 0.000e+00 0.00e+00 e 0 3708 3709 3707 0 >> 662 4.762 1.431 44.730 1 ? 0.000e+00 0.00e+00 e 0 3706 3709 3707 0 >> 663 4.755 1.786 44.730 1 ? 0.000e+00 0.00e+00 e 0 3706 3708 3707 0 >> 664 1.419 1.150 23.717 1 ? 0.000e+00 0.00e+00 e 0 3709 3714 3719 0 >> 665 1.812 1.149 23.717 1 ? 0.000e+00 0.00e+00 e 0 3712 3714 3719 0 >> 666 4.572 1.149 23.717 1 ? 0.000e+00 0.00e+00 e 0 4806 3714 3719 0 >> 667 4.746 1.145 23.717 1 ? 0.000e+00 0.00e+00 e 0 3706 3714 3719 0 >> 668 0.496 1.118 25.468 1 ? 0.000e+00 0.00e+00 e 0 4609 3713 3715 0 >> 669 1.418 1.111 25.468 1 ? 0.000e+00 0.00e+00 e 0 3709 3713 3715 0 >> 670 1.800 1.113 25.468 1 ? 0.000e+00 0.00e+00 e 0 3712 3713 3715 0 >> 671 4.565 1.114 25.468 1 ? 0.000e+00 0.00e+00 e 0 4806 3713 3715 0 >> 672 2.970 1.119 25.468 1 ? 0.000e+00 0.00e+00 e 0 2808 3713 3715 0 >> 673 3.547 1.143 23.717 1 ? 0.000e+00 0.00e+00 e 0 4809 3714 3719 0 >> 674 0.871 2.058 16.713 1 ? 0.000e+00 0.00e+00 e 0 3813 2316 2317 0 >> 675 3.951 3.566 49.983 1 ? 0.000e+00 0.00e+00 e 0 2506 3915 3904 0 >> 676 1.432 3.771 49.983 1 ? 0.000e+00 0.00e+00 e 0 3808 3916 3904 0 >> 677 3.970 3.763 49.983 1 ? 0.000e+00 0.00e+00 e 0 2506 3916 3904 0 >> 678 1.117 3.398 32.472 1 ? 0.000e+00 0.00e+00 e 0 3713 2809 2807 0 >> 679 1.805 3.498 28.970 1 ? 0.000e+00 0.00e+00 e 0 3712 4809 4807 0 >> 680 7.014 1.116 25.468 1 ? 0.000e+00 0.00e+00 e 0 6016 3713 3715 0 >> 681 7.035 3.128 28.970 1 ? 0.000e+00 0.00e+00 e 0 6012 4808 4807 0 >> 682 7.003 3.497 28.970 1 ? 0.000e+00 0.00e+00 e 0 6016 4809 4807 0 >> 683 0.172 3.135 28.970 1 ? 0.000e+00 0.00e+00 e 0 0 0 0 0 >> 684 1.070 2.940 32.472 1 ? 0.000e+00 0.00e+00 e 0 2609 2808 2807 0 >> 685 6.714 2.994 31.597 1 ? 0.000e+00 0.00e+00 e 0 6917 6909 6907 0 >> 686 3.050 5.056 52.610 1 ? 0.000e+00 0.00e+00 e 0 0 0 0 0 >> 687 0.811 4.434 45.605 1 ? 0.000e+00 0.00e+00 e 0 2714 3607 3605 0 >> 688 0.865 3.669 45.605 1 ? 0.000e+00 0.00e+00 e 0 4709 5706 5705 0 >> 689 7.304 1.499 27.219 1 ? 4.964e-02 0.00e+00 e 0 0 2913 2911 0 >> 690 1.463 2.075 32.472 1 ? 0.000e+00 0.00e+00 e 0 2913 2909 2907 0 >> 691 1.085 0.504 23.717 1 ? 4.928e-02 0.00e+00 e 0 3713 4609 4611 0 >> 692 1.011 3.048 42.979 1 ? 0.000e+00 0.00e+00 e 0 2610 6522 6519 0 >> 693 2.903 4.118 45.605 1 ? 0.000e+00 0.00e+00 e 0 2808 3407 3405 0 >> 694 1.955 4.118 45.605 1 ? 0.000e+00 0.00e+00 e 0 4908 5507 5505 0 >> 695 4.078 1.940 31.597 1 ? 0.000e+00 0.00e+00 e 0 5507 4908 4907 0 >> 696 3.936 0.885 21.091 1 ? 0.000e+00 0.00e+00 e 0 2006 2010 2015 0 >> 697 2.102 0.931 21.091 1 ? 0.000e+00 0.00e+00 e 0 2008 2009 2011 0 >> 698 2.098 0.885 21.091 1 ? 0.000e+00 0.00e+00 e 0 2008 2010 2015 0 >> 699 3.908 4.432 45.605 1 ? 0.000e+00 0.00e+00 e 0 3406 3607 3605 0 >> 700 1.182 4.126 45.605 1 ? 0.000e+00 0.00e+00 e 0 3714 5007 5005 0 >> 701 1.415 4.115 44.730 1 ? 0.000e+00 0.00e+00 e 0 0 0 0 0 >> 702 5.067 3.481 45.605 1 ? 0.000e+00 0.00e+00 e 0 2706 3606 3605 0 >> 703 3.344 3.474 45.605 1 ? 0.000e+00 0.00e+00 e 0 2809 3606 3605 0 >> 704 4.124 3.171 32.472 1 ? 0.000e+00 0.00e+00 e 0 5506 5609 5607 0 >> 705 3.448 3.381 32.472 1 ? 0.000e+00 0.00e+00 e 0 3606 2809 2807 0 >> 706 3.616 3.228 43.854 1 ? 0.000e+00 0.00e+00 e 0 3915 6216 6215 0 >> 707 6.699 2.501 36.850 1 ? 4.614e-02 0.00e+00 e 0 0 6612 6611 0 >> 708 4.716 2.492 36.850 1 ? 0.000e+00 0.00e+00 e 0 6606 6612 6611 0 >> 709 3.544 2.505 36.850 1 ? 0.000e+00 0.00e+00 e 0 0 0 0 0 >> 710 2.361 2.490 36.850 1 ? 0.000e+00 0.00e+00 e 0 6608 6613 6611 0 >> 711 2.485 2.337 35.975 1 ? 0.000e+00 0.00e+00 e 0 6108 6313 6311 0 >> 712 3.873 2.264 35.975 1 ? 0.000e+00 0.00e+00 e 0 0 0 0 0 >> 713 4.397 2.266 35.975 1 ? 0.000e+00 0.00e+00 e 0 0 0 0 0 >> 714 4.120 2.215 41.228 1 ? 0.000e+00 0.00e+00 e 0 0 0 0 0 >> 715 3.040 4.517 60.489 1 ? 3.808e-01 0.00e+00 e 0 3309 3306 3305 0 >>; >> >>save_ >> ; save_