data_18729 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; S64 ; _BMRB_accession_number 18729 _BMRB_flat_file_name bmr18729.str _Entry_type original _Submission_date 2012-09-19 _Accession_date 2012-09-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'putative venom toxin from Sicarius dolichocephalus' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Loening Nikolaus M. . 2 Wilson Zachary N. . 3 Zobel-Thropp Pamela A. . 4 Binford Greta J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 17 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 177 "13C chemical shifts" 126 "15N chemical shifts" 32 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-18 update BMRB 'update entry citation' 2013-01-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structures of Two Homologous Venom Peptides from Sicarius dolichocephalus.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23342149 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Loening Nikolaus M. . 2 Wilson Zachary N. . 3 Zobel-Thropp Pamela A. . 4 Binford Greta J. . stop_ _Journal_abbreviation 'PLoS ONE' _Journal_name_full 'PloS one' _Journal_volume 8 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e54401 _Page_last e54401 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MS2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label S64 $S64 stop_ _System_molecular_weight 3557.9088 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_S64 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common S64 _Molecular_mass 3557.9088 _Mol_thiol_state 'all disulfide bound' _Details 'mature peptide sequence' ############################## # Polymer residue sequence # ############################## _Residue_count 32 _Mol_residue_sequence ; SECVENGGFCPDPEKMGDWC CGRCIRNECRNG ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLU 3 CYS 4 VAL 5 GLU 6 ASN 7 GLY 8 GLY 9 PHE 10 CYS 11 PRO 12 ASP 13 PRO 14 GLU 15 LYS 16 MET 17 GLY 18 ASP 19 TRP 20 CYS 21 CYS 22 GLY 23 ARG 24 CYS 25 ILE 26 ARG 27 ASN 28 GLU 29 CYS 30 ARG 31 ASN 32 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2013-11-03 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 4B2V "S64, A Spider Venom Toxin Peptide From Sicarius Dolichocephalus" 100.00 32 100.00 100.00 1.52e-13 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ _Gene_mnemonic _Details $S64 spiders 571538 Eukaryota Metazoa Sicarius dolichocephalus 'venom gland' S64 'transcript identified from cDNA library constructed from venom gland mRNA' 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 $S64 'recombinant technology' 'ESCHERICHIA COLI' Escherichia coli BL21(DE3) pLICC stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details 'pH 7.4' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $S64 0.15 mM '[U-98% 15N]' stop_ save_ save_13C_15N _Saveframe_category sample _Sample_type solution _Details 'pH 7.4' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $S64 0.25 mM '[U-98% 15N]' stop_ save_ save_sample_new_1 _Saveframe_category sample _Sample_type solution _Details 'S64 0.000150 (error 0.000050) M' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $S64 0.15 mM '[U-13C; U-15N]' stop_ save_ save_sample_new_2 _Saveframe_category sample _Sample_type solution _Details 'S64 0.000250 (error 0.000050) M' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $S64 0.25 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 2.3.2 loop_ _Vendor _Address _Electronic_address 'Rieping W., Habeck M., Bardiaux B., Bernard A., Malliavin T.E., Nilges M.' . http://aria.pasteur.fr/ stop_ loop_ _Task 'NOE assignment' 'structure calculation' stop_ _Details 'Ambiguous restraints for iterative assignment' save_ save_AutoDep _Saveframe_category software _Name AutoDep _Version 4.3 loop_ _Vendor _Address _Electronic_address PDBe . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CNS_1.2_PATCH_LEVEL _Saveframe_category software _Name CNS_1.2_PATCH_LEVEL _Version 1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignment' 'project management' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version 3.60F1 loop_ _Vendor _Address _Electronic_address 'Yang Shen, Frank Delaglio, Gabriel Cornilescu, and Ad Bax' 'NIDDK, NIH, Bethesda, MD 20892, USA' http://spin.niddk.nih.gov/NMRPipe/talos/ stop_ loop_ _Task 'protein backbone dihedral angle prediction' stop_ _Details 'Prediction of protein backbone torsion angles from NMR chemical shifts' save_ save_TALOSPLUS_3.60F1 _Saveframe_category software _Name TALOSPLUS_3.60F1 _Version any loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_av750 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_fmp600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_av600psf _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_BRUKER_AVANCE_DMX-750 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE, DMX' _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC/HMQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $15N save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C_15N save_ save_HNcoCACB_(H[N[co[{CA|ca[C]}]]])_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNcoCACB (H[N[co[{CA|ca[C]}]]])' _Sample_label $13C_15N save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C_15N save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $13C_15N save_ save_HNCACO_(HNcaCO)_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNCACO (HNcaCO)' _Sample_label $13C_15N save_ save_HCCoNNH_(HccoNH)_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCoNNH (HccoNH)' _Sample_label $13C_15N save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $13C_15N save_ save_2D_1H-1H_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $13C_15N save_ save_2D_1H-1H_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $13C_15N save_ save_2D_1H-13C_HSQC/HMQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC/HMQC' _Sample_label $13C_15N save_ save_2D_1H-13C_HSQC/HMQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC/HMQC' _Sample_label $13C_15N save_ save_2D_1H-15N_HSQC/HMQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $13C_15N save_ save_13C_HSQC-NOESY_(H[{N|C}]_H.through-space)_14 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC-NOESY (H[{N|C}]_H.through-space)' _Sample_label $13C_15N save_ save_15N_HSQC-NOESY_(H[{N|C}]_H.through-space)_15 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC-NOESY (H[{N|C}]_H.through-space)' _Sample_label $13C_15N save_ save_2D_1H-1H_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $13C_15N save_ save_2D_1H-1H_TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $13C_15N save_ save_15N_HMQC_18 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HMQC' _Sample_label $sample_new_1 save_ save_1H_NOESY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '1H NOESY' _Sample_label $sample_new_2 save_ save_1H_TOCSY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '1H TOCSY' _Sample_label $sample_new_2 save_ save_CCCONNH_21 _Saveframe_category NMR_applied_experiment _Experiment_name CCCONNH _Sample_label $sample_new_2 save_ save_HBHACONNH_22 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONNH _Sample_label $sample_new_2 save_ save_HCCONNH_23 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONNH _Sample_label $sample_new_2 save_ save_HNCACB_24 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_new_2 save_ save_HNCACO_25 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label $sample_new_2 save_ save_HNCO_26 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_new_2 save_ save_HNCOCACB_27 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCACB _Sample_label $sample_new_2 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Standard _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.020 . M pH 7.400 . pH pressure 1.000 . atm temperature 300.000 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC/HMQC' '3D HNCACB' 'HNcoCACB (H[N[co[{CA|ca[C]}]]])' '3D HNCO' '3D HBHA(CO)NH' 'HNCACO (HNcaCO)' 'HCCoNNH (HccoNH)' '3D C(CO)NH' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D 1H-13C HSQC/HMQC' '13C HSQC-NOESY (H[{N|C}]_H.through-space)' '15N HSQC-NOESY (H[{N|C}]_H.through-space)' stop_ loop_ _Sample_label $15N $13C_15N stop_ _Sample_conditions_label $Standard _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name S64 _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 SER HA H 3.975 . 1 2 1 1 SER HB2 H 3.972 . 2 3 1 1 SER HB3 H 3.949 . 2 4 1 1 SER CA C 57.957 . 1 5 1 1 SER CB C 64.309 . 1 6 2 2 GLU HA H 4.471 0.012 1 7 2 2 GLU HB2 H 1.932 0.008 2 8 2 2 GLU HB3 H 2.142 0.01 2 9 2 2 GLU HG2 H 2.317 0.01 1 10 2 2 GLU HG3 H 2.317 0.01 1 11 2 2 GLU C C 175.710 0.033 1 12 2 2 GLU CA C 56.316 0.041 1 13 2 2 GLU CB C 30.322 0.167 1 14 2 2 GLU CG C 36.389 0.016 1 15 3 3 CYS H H 8.257 0.009 1 16 3 3 CYS HA H 4.824 0.015 1 17 3 3 CYS HB2 H 3.121 0.012 2 18 3 3 CYS HB3 H 3.051 0.006 2 19 3 3 CYS C C 173.366 0.034 1 20 3 3 CYS CA C 54.123 0.042 1 21 3 3 CYS CB C 41.531 0.047 1 22 3 3 CYS N N 118.068 0.056 1 23 4 4 VAL H H 8.809 0.003 1 24 4 4 VAL HA H 3.963 0.037 1 25 4 4 VAL HB H 2.143 0.011 1 26 4 4 VAL HG1 H 0.975 0.005 2 27 4 4 VAL HG2 H 1.197 0.007 2 28 4 4 VAL C C 175.171 0.016 1 29 4 4 VAL CA C 64.326 0.167 1 30 4 4 VAL CB C 32.360 0.112 1 31 4 4 VAL CG1 C 22.152 0.046 2 32 4 4 VAL CG2 C 22.204 0.009 2 33 4 4 VAL N N 121.917 0.033 1 34 5 5 GLU H H 8.996 0.006 1 35 5 5 GLU HA H 4.103 0.008 1 36 5 5 GLU HB2 H 2.036 0.013 2 37 5 5 GLU HB3 H 2.218 0.009 2 38 5 5 GLU HG2 H 2.435 0.013 2 39 5 5 GLU HG3 H 2.358 0.008 2 40 5 5 GLU C C 175.240 0.012 1 41 5 5 GLU CA C 56.165 0.058 1 42 5 5 GLU CB C 30.535 0.104 1 43 5 5 GLU CG C 35.965 0.01 1 44 5 5 GLU N N 129.835 0.038 1 45 6 6 ASN H H 8.707 0.006 1 46 6 6 ASN HA H 4.099 0.013 1 47 6 6 ASN HB2 H 2.861 0.008 2 48 6 6 ASN HB3 H 2.764 0.013 2 49 6 6 ASN HD21 H 7.618 0.004 1 50 6 6 ASN HD22 H 7.035 0.003 1 51 6 6 ASN C C 176.276 0.012 1 52 6 6 ASN CA C 54.258 0.088 1 53 6 6 ASN CB C 37.346 0.112 1 54 6 6 ASN CG C 175.809 0.003 1 55 6 6 ASN N N 119.294 0.043 1 56 6 6 ASN ND2 N 111.427 0.046 1 57 7 7 GLY H H 9.565 0.004 1 58 7 7 GLY HA2 H 4.503 0.019 2 59 7 7 GLY HA3 H 3.843 0.019 2 60 7 7 GLY C C 174.901 0.019 1 61 7 7 GLY CA C 44.750 0.059 1 62 7 7 GLY N N 113.151 0.033 1 63 8 8 GLY H H 8.327 0.004 1 64 8 8 GLY HA2 H 4.283 0.019 2 65 8 8 GLY HA3 H 3.572 0.008 2 66 8 8 GLY C C 171.720 0.053 1 67 8 8 GLY CA C 44.675 0.082 1 68 8 8 GLY N N 108.221 0.026 1 69 9 9 PHE H H 8.433 0.005 1 70 9 9 PHE HA H 4.713 0.017 1 71 9 9 PHE HB2 H 3.386 0.011 2 72 9 9 PHE HB3 H 2.849 0.013 2 73 9 9 PHE HD1 H 7.283 0.027 3 74 9 9 PHE HD2 H 7.283 0.027 3 75 9 9 PHE HE1 H 7.347 0.004 3 76 9 9 PHE HE2 H 7.347 0.004 3 77 9 9 PHE HZ H 7.288 0.002 1 78 9 9 PHE C C 174.200 0.029 1 79 9 9 PHE CA C 58.589 0.056 1 80 9 9 PHE CB C 39.721 0.079 1 81 9 9 PHE CD1 C 131.684 . 3 82 9 9 PHE CD2 C 131.684 . 3 83 9 9 PHE CE1 C 131.692 . 3 84 9 9 PHE CE2 C 131.692 . 3 85 9 9 PHE CZ C 127.337 . 1 86 9 9 PHE N N 120.621 0.034 1 87 10 10 CYS H H 6.938 0.006 1 88 10 10 CYS HA H 4.506 0.008 1 89 10 10 CYS HB2 H 3.030 0.01 2 90 10 10 CYS HB3 H 2.935 0.008 2 91 10 10 CYS CA C 50.180 0.005 1 92 10 10 CYS CB C 46.707 0.011 1 93 10 10 CYS N N 122.563 0.038 1 94 11 11 PRO HA H 4.081 0.007 1 95 11 11 PRO HB2 H 1.676 0.009 2 96 11 11 PRO HB3 H 1.949 0.005 2 97 11 11 PRO HG2 H 0.817 0.017 2 98 11 11 PRO HG3 H 0.711 0.012 2 99 11 11 PRO HD2 H 2.419 0.013 2 100 11 11 PRO HD3 H 2.669 0.008 2 101 11 11 PRO C C 173.972 0.024 1 102 11 11 PRO CA C 60.876 0.082 1 103 11 11 PRO CB C 32.566 0.091 1 104 11 11 PRO CG C 25.897 0.007 1 105 11 11 PRO CD C 49.722 0.052 1 106 12 12 ASP H H 8.120 0.007 1 107 12 12 ASP HA H 4.404 0.007 1 108 12 12 ASP HB2 H 2.569 0.008 2 109 12 12 ASP HB3 H 2.775 0.004 2 110 12 12 ASP C C 176.518 . 1 111 12 12 ASP CA C 52.537 0.014 1 112 12 12 ASP CB C 40.957 0.026 1 113 12 12 ASP N N 117.109 0.04 1 114 13 13 PRO HA H 4.193 0.008 1 115 13 13 PRO HB2 H 2.033 0.02 1 116 13 13 PRO HB3 H 2.033 0.02 1 117 13 13 PRO HG2 H 2.082 0.001 2 118 13 13 PRO HG3 H 1.979 0.004 2 119 13 13 PRO HD2 H 3.855 0.012 1 120 13 13 PRO HD3 H 3.855 0.012 1 121 13 13 PRO C C 179.079 0.054 1 122 13 13 PRO CA C 63.810 0.115 1 123 13 13 PRO CB C 31.935 0.122 1 124 13 13 PRO CG C 27.808 0.034 1 125 13 13 PRO CD C 51.720 0.057 1 126 14 14 GLU H H 8.741 0.004 1 127 14 14 GLU HA H 4.104 0.011 1 128 14 14 GLU HB2 H 2.087 0.009 1 129 14 14 GLU HB3 H 2.087 0.009 1 130 14 14 GLU HG2 H 2.365 0.009 2 131 14 14 GLU HG3 H 2.268 0.008 2 132 14 14 GLU C C 177.349 0.026 1 133 14 14 GLU CA C 58.721 0.082 1 134 14 14 GLU CB C 28.923 0.128 1 135 14 14 GLU CG C 36.709 0.015 1 136 14 14 GLU N N 119.901 0.033 1 137 15 15 LYS H H 7.455 0.006 1 138 15 15 LYS HA H 4.418 0.008 1 139 15 15 LYS HB2 H 1.824 0.024 2 140 15 15 LYS HB3 H 1.908 0.009 2 141 15 15 LYS HG2 H 1.417 0.009 2 142 15 15 LYS HG3 H 1.512 0.009 2 143 15 15 LYS HD2 H 1.726 0.014 1 144 15 15 LYS HD3 H 1.726 0.014 1 145 15 15 LYS HE2 H 3.036 0.007 1 146 15 15 LYS HE3 H 3.036 0.007 1 147 15 15 LYS C C 177.850 0.037 1 148 15 15 LYS CA C 57.313 0.085 1 149 15 15 LYS CB C 34.082 0.11 1 150 15 15 LYS CG C 25.391 0.033 1 151 15 15 LYS CD C 29.042 0.01 1 152 15 15 LYS CE C 42.245 0.051 1 153 15 15 LYS N N 116.302 0.037 1 154 16 16 MET H H 7.930 0.005 1 155 16 16 MET HA H 4.802 0.011 1 156 16 16 MET HB2 H 1.734 0.013 2 157 16 16 MET HB3 H 2.294 0.009 2 158 16 16 MET HG2 H 2.492 0.007 2 159 16 16 MET HG3 H 2.544 0.009 2 160 16 16 MET HE H 2.198 0.0 1 161 16 16 MET C C 177.323 0.028 1 162 16 16 MET CA C 55.059 0.087 1 163 16 16 MET CB C 33.928 0.089 1 164 16 16 MET CG C 32.906 0.005 1 165 16 16 MET CE C 17.352 0.004 1 166 16 16 MET N N 114.912 0.042 1 167 17 17 GLY H H 7.661 0.005 1 168 17 17 GLY HA2 H 3.819 0.014 2 169 17 17 GLY HA3 H 4.404 0.02 2 170 17 17 GLY C C 171.801 0.093 1 171 17 17 GLY CA C 44.435 0.054 1 172 17 17 GLY N N 109.260 0.038 1 173 18 18 ASP H H 8.608 0.005 1 174 18 18 ASP HA H 4.882 0.016 1 175 18 18 ASP HB2 H 2.350 0.007 2 176 18 18 ASP HB3 H 3.141 0.01 2 177 18 18 ASP C C 177.621 0.037 1 178 18 18 ASP CA C 53.636 0.039 1 179 18 18 ASP CB C 41.929 0.078 1 180 18 18 ASP N N 119.882 0.04 1 181 19 19 TRP H H 8.223 0.003 1 182 19 19 TRP HA H 4.878 0.013 1 183 19 19 TRP HB2 H 3.045 0.008 2 184 19 19 TRP HB3 H 3.619 0.014 2 185 19 19 TRP HD1 H 6.885 0.003 1 186 19 19 TRP HE1 H 9.816 0.002 1 187 19 19 TRP HE3 H 7.624 0.005 1 188 19 19 TRP HZ2 H 7.548 0.013 1 189 19 19 TRP HZ3 H 7.228 0.006 1 190 19 19 TRP HH2 H 7.343 0.009 1 191 19 19 TRP C C 177.238 0.063 1 192 19 19 TRP CA C 55.732 0.111 1 193 19 19 TRP CB C 30.153 0.125 1 194 19 19 TRP CD1 C 124.644 . 1 195 19 19 TRP CE3 C 121.011 . 1 196 19 19 TRP CZ2 C 114.542 . 1 197 19 19 TRP CZ3 C 122.221 . 1 198 19 19 TRP CH2 C 125.008 . 1 199 19 19 TRP N N 126.897 0.042 1 200 19 19 TRP NE1 N 127.222 0.05 1 201 20 20 CYS H H 9.447 0.004 1 202 20 20 CYS HA H 4.850 0.015 1 203 20 20 CYS HB2 H 3.035 0.009 2 204 20 20 CYS HB3 H 2.696 0.009 2 205 20 20 CYS C C 175.440 0.019 1 206 20 20 CYS CA C 55.355 0.037 1 207 20 20 CYS CB C 36.644 0.057 1 208 20 20 CYS N N 120.752 0.037 1 209 21 21 CYS H H 9.261 0.003 1 210 21 21 CYS HA H 4.557 0.013 1 211 21 21 CYS HB2 H 2.735 0.009 2 212 21 21 CYS HB3 H 3.266 0.015 2 213 21 21 CYS C C 176.823 0.043 1 214 21 21 CYS CA C 57.093 0.055 1 215 21 21 CYS CB C 38.789 0.093 1 216 21 21 CYS N N 122.649 0.036 1 217 22 22 GLY H H 8.881 0.005 1 218 22 22 GLY HA2 H 3.811 0.014 2 219 22 22 GLY HA3 H 4.255 0.016 2 220 22 22 GLY C C 172.049 0.054 1 221 22 22 GLY CA C 44.725 0.032 1 222 22 22 GLY N N 109.391 0.044 1 223 23 23 ARG H H 9.152 0.006 1 224 23 23 ARG HA H 4.850 0.014 1 225 23 23 ARG HB2 H 1.653 0.007 1 226 23 23 ARG HB3 H 1.653 0.007 1 227 23 23 ARG HG2 H 1.558 0.002 2 228 23 23 ARG HG3 H 1.535 0.016 2 229 23 23 ARG HD2 H 3.215 0.009 1 230 23 23 ARG HD3 H 3.215 0.009 1 231 23 23 ARG C C 174.040 0.015 1 232 23 23 ARG CA C 54.281 0.062 1 233 23 23 ARG CB C 34.533 0.135 1 234 23 23 ARG CG C 26.680 0.007 1 235 23 23 ARG CD C 43.745 0.051 1 236 23 23 ARG N N 125.358 0.029 1 237 24 24 CYS H H 10.614 0.005 1 238 24 24 CYS HA H 4.700 0.015 1 239 24 24 CYS HB2 H 3.447 0.012 2 240 24 24 CYS HB3 H 2.698 0.016 2 241 24 24 CYS C C 174.769 0.037 1 242 24 24 CYS CA C 56.775 0.061 1 243 24 24 CYS CB C 39.197 0.075 1 244 24 24 CYS N N 127.205 0.047 1 245 25 25 ILE H H 8.765 0.005 1 246 25 25 ILE HA H 4.296 0.011 1 247 25 25 ILE HB H 1.778 0.009 1 248 25 25 ILE HG12 H 1.420 0.01 2 249 25 25 ILE HG13 H 1.116 0.009 2 250 25 25 ILE HG2 H 0.889 0.01 1 251 25 25 ILE HD1 H 0.794 0.01 1 252 25 25 ILE C C 175.188 0.012 1 253 25 25 ILE CA C 60.278 0.106 1 254 25 25 ILE CB C 39.611 0.075 1 255 25 25 ILE CG1 C 26.563 0.004 1 256 25 25 ILE CG2 C 17.079 0.133 1 257 25 25 ILE CD1 C 12.165 0.089 1 258 25 25 ILE N N 132.507 0.026 1 259 26 26 ARG H H 9.276 0.008 1 260 26 26 ARG HA H 3.784 0.006 1 261 26 26 ARG HB2 H 1.838 0.009 2 262 26 26 ARG HB3 H 2.000 0.009 2 263 26 26 ARG HG2 H 1.640 0.009 2 264 26 26 ARG HG3 H 1.680 0.014 2 265 26 26 ARG HD2 H 3.223 0.005 2 266 26 26 ARG HD3 H 3.290 0.009 2 267 26 26 ARG C C 175.535 0.021 1 268 26 26 ARG CA C 57.597 0.063 1 269 26 26 ARG CB C 27.667 0.112 1 270 26 26 ARG CG C 28.053 0.014 1 271 26 26 ARG CD C 43.469 0.018 1 272 26 26 ARG N N 128.844 0.042 1 273 27 27 ASN H H 8.370 0.008 1 274 27 27 ASN HA H 4.337 0.01 1 275 27 27 ASN HB2 H 3.284 0.006 2 276 27 27 ASN HB3 H 2.916 0.017 2 277 27 27 ASN HD21 H 6.853 0.002 1 278 27 27 ASN HD22 H 7.995 0.003 1 279 27 27 ASN C C 174.065 0.032 1 280 27 27 ASN CA C 57.373 0.091 1 281 27 27 ASN CB C 37.954 0.135 1 282 27 27 ASN CG C 180.770 0.002 1 283 27 27 ASN N N 106.094 0.029 1 284 27 27 ASN ND2 N 108.095 0.065 1 285 28 28 GLU H H 7.874 0.005 1 286 28 28 GLU HA H 5.048 0.007 1 287 28 28 GLU HB2 H 1.910 0.015 1 288 28 28 GLU HB3 H 1.910 0.015 1 289 28 28 GLU HG2 H 2.172 0.009 1 290 28 28 GLU HG3 H 2.172 0.009 1 291 28 28 GLU C C 175.907 0.011 1 292 28 28 GLU CA C 54.730 0.046 1 293 28 28 GLU CB C 33.800 0.117 1 294 28 28 GLU CG C 37.036 0.01 1 295 28 28 GLU N N 121.256 0.04 1 296 29 29 CYS H H 8.993 0.005 1 297 29 29 CYS HA H 5.261 0.007 1 298 29 29 CYS HB2 H 3.670 0.008 2 299 29 29 CYS HB3 H 2.760 0.006 2 300 29 29 CYS C C 176.269 0.025 1 301 29 29 CYS CA C 53.541 0.057 1 302 29 29 CYS CB C 36.016 0.077 1 303 29 29 CYS N N 125.101 0.026 1 304 30 30 ARG H H 9.617 0.005 1 305 30 30 ARG HA H 4.760 0.015 1 306 30 30 ARG HB2 H 1.772 0.009 2 307 30 30 ARG HB3 H 2.080 0.005 2 308 30 30 ARG HG2 H 1.763 0.0 1 309 30 30 ARG HG3 H 1.763 0.0 1 310 30 30 ARG HD2 H 3.264 0.009 2 311 30 30 ARG HD3 H 3.189 0.008 2 312 30 30 ARG C C 175.247 0.006 1 313 30 30 ARG CA C 53.908 0.019 1 314 30 30 ARG CB C 34.280 0.124 1 315 30 30 ARG CG C 26.827 0.014 1 316 30 30 ARG CD C 43.360 0.012 1 317 30 30 ARG N N 125.154 0.038 1 318 31 31 ASN H H 8.697 0.007 1 319 31 31 ASN HA H 4.563 0.01 1 320 31 31 ASN HB2 H 2.841 0.011 2 321 31 31 ASN HB3 H 2.950 0.01 2 322 31 31 ASN HD21 H 7.641 0.007 1 323 31 31 ASN HD22 H 7.022 0.004 1 324 31 31 ASN C C 175.072 0.024 1 325 31 31 ASN CA C 54.820 0.058 1 326 31 31 ASN CB C 38.255 0.074 1 327 31 31 ASN CG C 177.318 0.001 1 328 31 31 ASN N N 115.776 0.057 1 329 31 31 ASN ND2 N 112.800 0.018 1 330 32 32 GLY H H 8.421 0.009 1 331 32 32 GLY HA2 H 3.761 0.008 2 332 32 32 GLY HA3 H 3.531 0.012 2 333 32 32 GLY C C 178.493 . 1 334 32 32 GLY CA C 46.102 0.036 1 335 32 32 GLY N N 114.585 0.026 1 stop_ save_ save_peak_list_1 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '2D 1H-15N HSQC/HMQC' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N stop_ _Sample_label $15N _Sample_conditions_label $Standard _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1 >> _Spectral_peak_list.Entry_ID 18729 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $15N >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Standard >> _Spectral_peak_list.Experiment_ID 1 >> _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC/HMQC' >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . 3710.93750000 . . . 18729 1 >> 2 N 15 15N . 3039.51848551 . . . 18729 1 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18729 1 >> 2 1.0 . 18729 1 >> 3 1.0 . 18729 1 >> 4 1.0 . 18729 1 >> 5 1.0 . 18729 1 >> 6 1.0 . 18729 1 >> 7 1.0 . 18729 1 >> 8 1.0 . 18729 1 >> 9 1.0 . 18729 1 >> 10 1.0 . 18729 1 >> 11 1.0 . 18729 1 >> 12 1.0 . 18729 1 >> 13 1.0 . 18729 1 >> 14 1.0 . 18729 1 >> 15 1.0 . 18729 1 >> 16 1.0 . 18729 1 >> 17 1.0 . 18729 1 >> 18 1.0 . 18729 1 >> 19 1.0 . 18729 1 >> 20 1.0 . 18729 1 >> 21 1.0 . 18729 1 >> 22 1.0 . 18729 1 >> 23 1.0 . 18729 1 >> 24 1.0 . 18729 1 >> 25 1.0 . 18729 1 >> 26 1.0 . 18729 1 >> 27 1.0 . 18729 1 >> 28 1.0 . 18729 1 >> 29 1.0 . 18729 1 >> 30 1.0 . 18729 1 >> 31 1.0 . 18729 1 >> 32 1.0 . 18729 1 >> 33 1.0 . 18729 1 >> 34 1.0 . 18729 1 >> 35 1.0 . 18729 1 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 30882.1289062 . height 18729 1 >> 1 268081.4648440 . volume 18729 1 >> 2 45604.3125000 . height 18729 1 >> 2 395601.6757810 . volume 18729 1 >> 3 23941.1230469 . height 18729 1 >> 3 210161.4511720 . volume 18729 1 >> 4 28811.6230469 . height 18729 1 >> 4 249019.7226560 . volume 18729 1 >> 5 15757.1660156 . height 18729 1 >> 5 137653.8261720 . volume 18729 1 >> 6 36910.2968750 . height 18729 1 >> 6 320559.0468750 . volume 18729 1 >> 7 28749.9960938 . height 18729 1 >> 7 249857.9550780 . volume 18729 1 >> 8 29169.4746094 . height 18729 1 >> 8 253076.4472660 . volume 18729 1 >> 9 30019.9648438 . height 18729 1 >> 9 259981.4726560 . volume 18729 1 >> 10 37317.3906250 . height 18729 1 >> 10 323402.6835940 . volume 18729 1 >> 11 12538.8476562 . height 18729 1 >> 11 109271.3574220 . volume 18729 1 >> 12 40029.7695312 . height 18729 1 >> 12 347460.5781250 . volume 18729 1 >> 13 26000.1054688 . height 18729 1 >> 13 225631.6601560 . volume 18729 1 >> 14 31286.4550781 . height 18729 1 >> 14 271845.2949220 . volume 18729 1 >> 15 39240.9375000 . height 18729 1 >> 15 340620.3671880 . volume 18729 1 >> 16 61195.7187500 . height 18729 1 >> 16 530967.6601560 . volume 18729 1 >> 17 55383.5664062 . height 18729 1 >> 17 483118.3750000 . volume 18729 1 >> 18 59188.8984375 . height 18729 1 >> 18 513822.1601560 . volume 18729 1 >> 19 61192.6718750 . height 18729 1 >> 19 531780.3281250 . volume 18729 1 >> 20 46732.2421875 . height 18729 1 >> 20 405082.6796880 . volume 18729 1 >> 21 59139.8007812 . height 18729 1 >> 21 514515.9062500 . volume 18729 1 >> 22 39227.4687500 . height 18729 1 >> 22 342171.0429690 . volume 18729 1 >> 23 53686.3593750 . height 18729 1 >> 23 467603.7851560 . volume 18729 1 >> 24 37843.9453125 . height 18729 1 >> 24 329941.6210940 . volume 18729 1 >> 25 33727.4375000 . height 18729 1 >> 25 293152.9921880 . volume 18729 1 >> 26 58214.6953125 . height 18729 1 >> 26 513390.8476560 . volume 18729 1 >> 27 56615.4062500 . height 18729 1 >> 27 494060.6367190 . volume 18729 1 >> 28 46412.0390625 . height 18729 1 >> 28 404056.5664060 . volume 18729 1 >> 29 31136.3437500 . height 18729 1 >> 29 270209.1406250 . volume 18729 1 >> 30 33864.4804688 . height 18729 1 >> 30 294468.9101560 . volume 18729 1 >> 31 43615.1640625 . height 18729 1 >> 31 378675.8710940 . volume 18729 1 >> 32 35172.5390625 . height 18729 1 >> 32 305571.9824220 . volume 18729 1 >> 33 19777.7089844 . height 18729 1 >> 33 173211.6914060 . volume 18729 1 >> 34 14457.6406250 . height 18729 1 >> 34 125465.4980470 . volume 18729 1 >> 35 31218.6796875 . height 18729 1 >> 35 271022.3398440 . volume 18729 1 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 8.775 . 30.4624438286 . . . . . . . . . . 1 18729 1 >> 1 2 132.525 . 29.7307170215 . . . . . . . . . . 1 18729 1 >> 2 1 8.996 . 29.2355194688 . . . . . . . . . . 1 18729 1 >> 2 2 129.839 . 29.9949526200 . . . . . . . . . . 1 18729 1 >> 3 1 9.273 . 38.9192253351 . . . . . . . . . . 1 18729 1 >> 3 2 128.824 . 35.1488602693 . . . . . . . . . . 1 18729 1 >> 4 1 9.818 . 27.9206782579 . . . . . . . . . . 1 18729 1 >> 4 2 127.272 . 28.3045513503 . . . . . . . . . . 1 18729 1 >> 5 1 10.622 . 35.2589413524 . . . . . . . . . . 1 18729 1 >> 5 2 127.240 . 32.5351290525 . . . . . . . . . . 1 18729 1 >> 6 1 8.224 . 29.7158956528 . . . . . . . . . . 1 18729 1 >> 6 2 126.905 . 30.8737148899 . . . . . . . . . . 1 18729 1 >> 7 1 9.150 . 31.5766781569 . . . . . . . . . . 1 18729 1 >> 7 2 125.362 . 30.1600885460 . . . . . . . . . . 1 18729 1 >> 8 1 9.625 . 29.6073034406 . . . . . . . . . . 1 18729 1 >> 8 2 125.170 . 29.8093445496 . . . . . . . . . . 1 18729 1 >> 9 1 8.997 . 28.1343236566 . . . . . . . . . . 1 18729 1 >> 9 2 125.104 . 30.4383647745 . . . . . . . . . . 1 18729 1 >> 10 1 9.262 . 28.7901610136 . . . . . . . . . . 1 18729 1 >> 10 2 122.657 . 29.9375219140 . . . . . . . . . . 1 18729 1 >> 11 1 6.947 . 32.4048101902 . . . . . . . . . . 1 18729 1 >> 11 2 122.607 . 31.9441544057 . . . . . . . . . . 1 18729 1 >> 12 1 8.812 . 30.0236046314 . . . . . . . . . . 1 18729 1 >> 12 2 121.933 . 29.6933055364 . . . . . . . . . . 1 18729 1 >> 13 1 7.880 . 30.1007181406 . . . . . . . . . . 1 18729 1 >> 13 2 121.282 . 30.0525644955 . . . . . . . . . . 1 18729 1 >> 14 1 9.449 . 30.1353633404 . . . . . . . . . . 1 18729 1 >> 14 2 120.773 . 31.0448294067 . . . . . . . . . . 1 18729 1 >> 15 1 8.433 . 29.9360603094 . . . . . . . . . . 1 18729 1 >> 15 2 120.636 . 30.4565723012 . . . . . . . . . . 1 18729 1 >> 16 1 8.747 . 29.5791774988 . . . . . . . . . . 1 18729 1 >> 16 2 119.920 . 30.0308241651 . . . . . . . . . . 1 18729 1 >> 17 1 8.604 . 34.2551618814 . . . . . . . . . . 1 18729 1 >> 17 2 119.913 . 31.5189497778 . . . . . . . . . . 1 18729 1 >> 18 1 8.702 . 30.6483358145 . . . . . . . . . . 1 18729 1 >> 18 2 119.287 . 29.7467505151 . . . . . . . . . . 1 18729 1 >> 19 1 8.238 . 31.2186777592 . . . . . . . . . . 1 18729 1 >> 19 2 117.947 . 29.9378842528 . . . . . . . . . . 1 18729 1 >> 20 1 8.120 . 29.1388481855 . . . . . . . . . . 1 18729 1 >> 20 2 117.111 . 29.6519989087 . . . . . . . . . . 1 18729 1 >> 21 1 7.462 . 31.4377248287 . . . . . . . . . . 1 18729 1 >> 21 2 116.341 . 30.6527787826 . . . . . . . . . . 1 18729 1 >> 22 1 8.693 . 32.4063003063 . . . . . . . . . . 1 18729 1 >> 22 2 115.853 . 33.2063617521 . . . . . . . . . . 1 18729 1 >> 23 1 7.934 . 32.8253954649 . . . . . . . . . . 1 18729 1 >> 23 2 114.938 . 30.5511427382 . . . . . . . . . . 1 18729 1 >> 24 1 8.411 . 33.4873795509 . . . . . . . . . . 1 18729 1 >> 24 2 114.603 . 30.7651038228 . . . . . . . . . . 1 18729 1 >> 25 1 9.570 . 31.0461968184 . . . . . . . . . . 1 18729 1 >> 25 2 113.185 . 30.1058283048 . . . . . . . . . . 1 18729 1 >> 26 1 7.647 . 39.3869355321 . . . . . . . . . . 1 18729 1 >> 26 2 112.787 . 44.2490002166 . . . . . . . . . . 1 18729 1 >> 27 1 7.021 . 31.1300158501 . . . . . . . . . . 1 18729 1 >> 27 2 112.790 . 38.1336264575 . . . . . . . . . . 1 18729 1 >> 28 1 7.617 . 30.4959714413 . . . . . . . . . . 1 18729 1 >> 28 2 111.409 . 33.4904354021 . . . . . . . . . . 1 18729 1 >> 29 1 7.030 . 30.3879380226 . . . . . . . . . . 1 18729 1 >> 29 2 111.403 . 29.3842305065 . . . . . . . . . . 1 18729 1 >> 30 1 8.886 . 31.6701829433 . . . . . . . . . . 1 18729 1 >> 30 2 109.410 . 29.7612440687 . . . . . . . . . . 1 18729 1 >> 31 1 7.666 . 30.4039567709 . . . . . . . . . . 1 18729 1 >> 31 2 109.274 . 29.6231929710 . . . . . . . . . . 1 18729 1 >> 32 1 8.335 . 30.7962298393 . . . . . . . . . . 1 18729 1 >> 32 2 108.261 . 30.3344641124 . . . . . . . . . . 1 18729 1 >> 33 1 8.002 . 32.7952206135 . . . . . . . . . . 1 18729 1 >> 33 2 108.164 . 39.6422242146 . . . . . . . . . . 1 18729 1 >> 34 1 6.850 . 29.1466712952 . . . . . . . . . . 1 18729 1 >> 34 2 108.110 . 31.0714613114 . . . . . . . . . . 1 18729 1 >> 35 1 8.365 . 30.3003937006 . . . . . . . . . . 1 18729 1 >> 35 2 106.088 . 29.4826055013 . . . . . . . . . . 1 18729 1 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 . 1 . . 8.775 . 1 1 1 25 ILE H . . . . . . 12 . 18729 1 >> 1 2 . 1 . . 132.525 . 1 1 1 25 ILE N . . . . . . 13 . 18729 1 >> 2 1 . 1 . . 8.996 . 1 1 1 5 GLU H . . . . . . 5 . 18729 1 >> 2 2 . 1 . . 129.839 . 1 1 1 5 GLU N . . . . . . 6 . 18729 1 >> 3 1 . 1 . . 9.273 . 1 1 1 26 ARG H . . . . . . 26 . 18729 1 >> 3 2 . 1 . . 128.824 . 1 1 1 26 ARG N . . . . . . 27 . 18729 1 >> 4 1 . 1 . . 9.818 . 1 1 1 19 TRP HE1 . . . . . . 32 . 18729 1 >> 4 2 . 2 . . 127.272 . 1 1 1 19 TRP NE1 . . . . . . 33 . 18729 1 >> 5 1 . 1 . . 10.622 . 1 1 1 24 CYS H . . . . . . 40 . 18729 1 >> 5 2 . 1 . . 127.240 . 1 1 1 24 CYS N . . . . . . 41 . 18729 1 >> 6 1 . 1 . . 8.224 . 1 1 1 19 TRP H . . . . . . 46 . 18729 1 >> 6 2 . 1 . . 126.905 . 1 1 1 19 TRP N . . . . . . 47 . 18729 1 >> 7 1 . 1 . . 9.150 . 1 1 1 23 ARG H . . . . . . 52 . 18729 1 >> 7 2 . 1 . . 125.362 . 1 1 1 23 ARG N . . . . . . 53 . 18729 1 >> 8 1 . 1 . . 9.625 . 1 1 1 30 ARG H . . . . . . 59 . 18729 1 >> 8 2 . 1 . . 125.170 . 1 1 1 30 ARG N . . . . . . 60 . 18729 1 >> 9 1 . 1 . . 8.997 . 1 1 1 29 CYS H . . . . . . 61 . 18729 1 >> 9 2 . 1 . . 125.104 . 1 1 1 29 CYS N . . . . . . 62 . 18729 1 >> 10 1 . 1 . . 9.262 . 1 1 1 21 CYS H . . . . . . 3 . 18729 1 >> 10 2 . 1 . . 122.657 . 1 1 1 21 CYS N . . . . . . 4 . 18729 1 >> 11 1 . 1 . . 6.947 . 1 1 1 10 CYS H . . . . . . 9 . 18729 1 >> 11 2 . 1 . . 122.607 . 1 1 1 10 CYS N . . . . . . 10 . 18729 1 >> 12 1 . 1 . . 8.812 . 1 1 1 4 VAL H . . . . . . 42 . 18729 1 >> 12 2 . 1 . . 121.933 . 1 1 1 4 VAL N . . . . . . 43 . 18729 1 >> 13 1 . 1 . . 7.880 . 1 1 1 28 GLU H . . . . . . 22 . 18729 1 >> 13 2 . 1 . . 121.282 . 1 1 1 28 GLU N . . . . . . 23 . 18729 1 >> 14 1 . 1 . . 9.449 . 1 1 1 20 CYS H . . . . . . 30 . 18729 1 >> 14 2 . 1 . . 120.773 . 1 1 1 20 CYS N . . . . . . 31 . 18729 1 >> 15 1 . 1 . . 8.433 . 1 1 1 9 PHE H . . . . . . 36 . 18729 1 >> 15 2 . 1 . . 120.636 . 1 1 1 9 PHE N . . . . . . 37 . 18729 1 >> 16 1 . 1 . . 8.747 . 1 1 1 14 GLU H . . . . . . 48 . 18729 1 >> 16 2 . 1 . . 119.920 . 1 1 1 14 GLU N . . . . . . 49 . 18729 1 >> 17 1 . 1 . . 8.604 . 1 1 1 18 ASP H . . . . . . 56 . 18729 1 >> 17 2 . 1 . . 119.913 . 1 1 1 18 ASP N . . . . . . 57 . 18729 1 >> 18 1 . 1 . . 8.702 . 1 1 1 6 ASN H . . . . . . 63 . 18729 1 >> 18 2 . 1 . . 119.287 . 1 1 1 6 ASN N . . . . . . 64 . 18729 1 >> 19 1 . 1 . . 8.238 . 1 1 1 3 CYS H . . . . . . 54 . 18729 1 >> 19 2 . 1 . . 117.947 . 1 1 1 3 CYS N . . . . . . 55 . 18729 1 >> 20 1 . 1 . . 8.120 . 1 1 1 12 ASP H . . . . . . 14 . 18729 1 >> 20 2 . 1 . . 117.111 . 1 1 1 12 ASP N . . . . . . 15 . 18729 1 >> 21 1 . 1 . . 7.462 . 1 1 1 15 LYS H . . . . . . 18 . 18729 1 >> 21 2 . 1 . . 116.341 . 1 1 1 15 LYS N . . . . . . 19 . 18729 1 >> 22 1 . 1 . . 8.693 . 1 1 1 31 ASN H . . . . . . 24 . 18729 1 >> 22 2 . 1 . . 115.853 . 1 1 1 31 ASN N . . . . . . 25 . 18729 1 >> 23 1 . 1 . . 7.934 . 1 1 1 16 MET H . . . . . . 38 . 18729 1 >> 23 2 . 1 . . 114.938 . 1 1 1 16 MET N . . . . . . 39 . 18729 1 >> 24 1 . 1 . . 8.411 . 1 1 1 32 GLY H . . . . . . 44 . 18729 1 >> 24 2 . 1 . . 114.603 . 1 1 1 32 GLY N . . . . . . 45 . 18729 1 >> 25 1 . 1 . . 9.570 . 1 1 1 7 GLY H . . . . . . 50 . 18729 1 >> 25 2 . 1 . . 113.185 . 1 1 1 7 GLY N . . . . . . 51 . 18729 1 >> 26 1 . 1 . . 7.647 . 1 1 1 31 ASN HD21 . . . . . . 58 . 18729 1 >> 26 2 . 4 . . 112.787 . 1 1 1 31 ASN ND2 . . . . . . 66 . 18729 1 >> 27 1 . 2 . . 7.021 . 1 1 1 31 ASN HD22 . . . . . . 67 . 18729 1 >> 27 2 . 2 . . 112.790 . 1 1 1 31 ASN ND2 . . . . . . 66 . 18729 1 >> 28 1 . 1 . . 7.617 . 1 1 1 6 ASN HD21 . . . . . . 7 . 18729 1 >> 28 2 . 1 . . 111.409 . 1 1 1 6 ASN ND2 . . . . . . 8 . 18729 1 >> 29 1 . 1 . . 7.030 . 1 1 1 6 ASN HD22 . . . . . . 11 . 18729 1 >> 29 2 . 1 . . 111.403 . 1 1 1 6 ASN ND2 . . . . . . 8 . 18729 1 >> 30 1 . 1 . . 8.886 . 1 1 1 22 GLY H . . . . . . 16 . 18729 1 >> 30 2 . 1 . . 109.410 . 1 1 1 22 GLY N . . . . . . 17 . 18729 1 >> 31 1 . 1 . . 7.666 . 1 1 1 17 GLY H . . . . . . 20 . 18729 1 >> 31 2 . 1 . . 109.274 . 1 1 1 17 GLY N . . . . . . 21 . 18729 1 >> 32 1 . 1 . . 8.335 . 1 1 1 8 GLY H . . . . . . 28 . 18729 1 >> 32 2 . 1 . . 108.261 . 1 1 1 8 GLY N . . . . . . 29 . 18729 1 >> 33 1 . 1 . . 8.002 . 1 1 1 27 ASN HD22 . . . . . . 34 . 18729 1 >> 33 2 . 1 . . 108.164 . 1 1 1 27 ASN ND2 . . . . . . 35 . 18729 1 >> 34 1 . 1 . . 6.850 . 1 1 1 27 ASN HD21 . . . . . . 65 . 18729 1 >> 34 2 . 2 . . 108.110 . 1 1 1 27 ASN ND2 . . . . . . 35 . 18729 1 >> 35 1 . 1 . . 8.365 . 1 1 1 27 ASN H . . . . . . 1 . 18729 1 >> 35 2 . 1 . . 106.088 . 1 1 1 27 ASN N . . . . . . 2 . 18729 1 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '3D HNCACB' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 C 13C 3 N 15N stop_ _Sample_label $13C_15N _Sample_conditions_label $Standard _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2 >> _Spectral_peak_list.Entry_ID 18729 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $13C_15N >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Standard >> _Spectral_peak_list.Experiment_ID 2 >> _Spectral_peak_list.Experiment_name '3D HNCACB' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . 2968.75000000 . . . 18729 2 >> 2 C 13 13C . 10000.00000000 . . . 18729 2 >> 3 N 15 15N . 2129.24518258 . . . 18729 2 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18729 2 >> 2 1.0 . 18729 2 >> 3 1.0 . 18729 2 >> 4 1.0 . 18729 2 >> 5 1.0 . 18729 2 >> 6 1.0 . 18729 2 >> 7 1.0 . 18729 2 >> 8 1.0 . 18729 2 >> 9 1.0 . 18729 2 >> 10 1.0 . 18729 2 >> 11 1.0 . 18729 2 >> 12 1.0 . 18729 2 >> 13 1.0 . 18729 2 >> 14 1.0 . 18729 2 >> 15 1.0 . 18729 2 >> 16 1.0 . 18729 2 >> 17 1.0 . 18729 2 >> 18 1.0 . 18729 2 >> 19 1.0 . 18729 2 >> 20 1.0 . 18729 2 >> 21 1.0 . 18729 2 >> 22 1.0 . 18729 2 >> 23 1.0 . 18729 2 >> 24 1.0 . 18729 2 >> 25 1.0 . 18729 2 >> 26 1.0 . 18729 2 >> 27 1.0 . 18729 2 >> 28 1.0 . 18729 2 >> 29 1.0 . 18729 2 >> 30 1.0 . 18729 2 >> 31 1.0 . 18729 2 >> 32 1.0 . 18729 2 >> 33 1.0 . 18729 2 >> 34 1.0 . 18729 2 >> 35 1.0 . 18729 2 >> 36 1.0 . 18729 2 >> 37 1.0 . 18729 2 >> 38 1.0 . 18729 2 >> 39 1.0 . 18729 2 >> 40 1.0 . 18729 2 >> 41 1.0 . 18729 2 >> 42 1.0 . 18729 2 >> 43 1.0 . 18729 2 >> 44 1.0 . 18729 2 >> 45 1.0 . 18729 2 >> 46 1.0 . 18729 2 >> 47 1.0 . 18729 2 >> 48 1.0 . 18729 2 >> 49 1.0 . 18729 2 >> 50 1.0 . 18729 2 >> 51 1.0 . 18729 2 >> 52 1.0 . 18729 2 >> 53 1.0 . 18729 2 >> 54 1.0 . 18729 2 >> 55 1.0 . 18729 2 >> 56 1.0 . 18729 2 >> 57 1.0 . 18729 2 >> 58 1.0 . 18729 2 >> 59 1.0 . 18729 2 >> 60 1.0 . 18729 2 >> 61 1.0 . 18729 2 >> 62 1.0 . 18729 2 >> 63 1.0 . 18729 2 >> 64 1.0 . 18729 2 >> 65 1.0 . 18729 2 >> 66 1.0 . 18729 2 >> 67 1.0 . 18729 2 >> 68 1.0 . 18729 2 >> 69 1.0 . 18729 2 >> 70 1.0 . 18729 2 >> 71 1.0 . 18729 2 >> 72 1.0 . 18729 2 >> 73 1.0 . 18729 2 >> 74 1.0 . 18729 2 >> 75 1.0 . 18729 2 >> 76 1.0 . 18729 2 >> 77 1.0 . 18729 2 >> 78 1.0 . 18729 2 >> 79 1.0 . 18729 2 >> 80 1.0 . 18729 2 >> 81 1.0 . 18729 2 >> 82 1.0 . 18729 2 >> 83 1.0 . 18729 2 >> 84 1.0 . 18729 2 >> 85 1.0 . 18729 2 >> 86 1.0 . 18729 2 >> 87 1.0 . 18729 2 >> 88 1.0 . 18729 2 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 -649749.50 . height 18729 2 >> 1 -14869058.25 . volume 18729 2 >> 2 -719712.75 . height 18729 2 >> 2 -16459330.25 . volume 18729 2 >> 3 924473.00 . height 18729 2 >> 3 19792361.75 . volume 18729 2 >> 4 609722.75 . height 18729 2 >> 4 13393970.25 . volume 18729 2 >> 5 4649524.00 . height 18729 2 >> 5 101214205.50 . volume 18729 2 >> 6 644131.75 . height 18729 2 >> 6 14671628.00 . volume 18729 2 >> 7 -465727.00 . height 18729 2 >> 7 -10686530.75 . volume 18729 2 >> 8 -1226830.75 . height 18729 2 >> 8 -27358721.75 . volume 18729 2 >> 9 2129745.75 . height 18729 2 >> 9 47205909.75 . volume 18729 2 >> 10 -843593.50 . height 18729 2 >> 10 -18957153.75 . volume 18729 2 >> 11 1195621.00 . height 18729 2 >> 11 26723708.00 . volume 18729 2 >> 12 3819216.75 . height 18729 2 >> 12 82252595.25 . volume 18729 2 >> 13 -1890918.50 . height 18729 2 >> 13 -41195300.50 . volume 18729 2 >> 14 2028399.25 . height 18729 2 >> 14 49163910.50 . volume 18729 2 >> 15 -357258.00 . height 18729 2 >> 15 -7787374.25 . volume 18729 2 >> 16 1473798.00 . height 18729 2 >> 16 32823282.50 . volume 18729 2 >> 17 -1042970.75 . height 18729 2 >> 17 -23692180.00 . volume 18729 2 >> 18 885452.25 . height 18729 2 >> 18 19483900.00 . volume 18729 2 >> 19 -591413.50 . height 18729 2 >> 19 -13325631.75 . volume 18729 2 >> 20 -1136604.50 . height 18729 2 >> 20 -25522040.75 . volume 18729 2 >> 21 1178902.25 . height 18729 2 >> 21 26874995.00 . volume 18729 2 >> 22 3039496.75 . height 18729 2 >> 22 65845952.25 . volume 18729 2 >> 23 7417430.00 . height 18729 2 >> 23 160771900.50 . volume 18729 2 >> 24 456636.50 . height 18729 2 >> 24 10395925.50 . volume 18729 2 >> 25 8013130.00 . height 18729 2 >> 25 172590434.00 . volume 18729 2 >> 26 8226180.00 . height 18729 2 >> 26 178477588.50 . volume 18729 2 >> 27 763924.00 . height 18729 2 >> 27 17041035.00 . volume 18729 2 >> 28 -773057.25 . height 18729 2 >> 28 -17298078.50 . volume 18729 2 >> 29 701192.50 . height 18729 2 >> 29 15245856.00 . volume 18729 2 >> 30 -532158.25 . height 18729 2 >> 30 -12343733.00 . volume 18729 2 >> 31 -798758.75 . height 18729 2 >> 31 -17238645.50 . volume 18729 2 >> 32 222890.50 . height 18729 2 >> 32 5127611.25 . volume 18729 2 >> 33 2786579.25 . height 18729 2 >> 33 62217520.25 . volume 18729 2 >> 34 -1321463.00 . height 18729 2 >> 34 -29639527.75 . volume 18729 2 >> 35 -696753.25 . height 18729 2 >> 35 -15706449.50 . volume 18729 2 >> 36 2547009.50 . height 18729 2 >> 36 55844597.00 . volume 18729 2 >> 37 -2006195.50 . height 18729 2 >> 37 -43778233.50 . volume 18729 2 >> 38 1373853.25 . height 18729 2 >> 38 30877242.00 . volume 18729 2 >> 39 -1781898.75 . height 18729 2 >> 39 -39652295.00 . volume 18729 2 >> 40 3204653.50 . height 18729 2 >> 40 68704538.00 . volume 18729 2 >> 41 713069.50 . height 18729 2 >> 41 16057054.75 . volume 18729 2 >> 42 -1231243.25 . height 18729 2 >> 42 -26582629.00 . volume 18729 2 >> 43 2108617.00 . height 18729 2 >> 43 46415839.75 . volume 18729 2 >> 44 -538602.75 . height 18729 2 >> 44 -12893236.50 . volume 18729 2 >> 45 -1851992.00 . height 18729 2 >> 45 -41034203.50 . volume 18729 2 >> 46 2673251.00 . height 18729 2 >> 46 58902634.50 . volume 18729 2 >> 47 -1075694.00 . height 18729 2 >> 47 -24595750.75 . volume 18729 2 >> 48 1194400.00 . height 18729 2 >> 48 26729981.25 . volume 18729 2 >> 49 -605983.00 . height 18729 2 >> 49 -13574899.75 . volume 18729 2 >> 50 1327231.75 . height 18729 2 >> 50 29556305.25 . volume 18729 2 >> 51 3824153.25 . height 18729 2 >> 51 84608047.50 . volume 18729 2 >> 52 -1092496.75 . height 18729 2 >> 52 -24787698.00 . volume 18729 2 >> 53 2958003.25 . height 18729 2 >> 53 63996895.50 . volume 18729 2 >> 54 1098934.50 . height 18729 2 >> 54 24816514.75 . volume 18729 2 >> 55 983491.50 . height 18729 2 >> 55 22368735.25 . volume 18729 2 >> 56 2839693.00 . height 18729 2 >> 56 62612827.50 . volume 18729 2 >> 57 -1452521.25 . height 18729 2 >> 57 -32774609.75 . volume 18729 2 >> 58 2464821.00 . height 18729 2 >> 58 54999187.50 . volume 18729 2 >> 59 -327133.25 . height 18729 2 >> 59 -8428756.75 . volume 18729 2 >> 60 -1149126.25 . height 18729 2 >> 60 -25744705.00 . volume 18729 2 >> 61 1325087.50 . height 18729 2 >> 61 29342159.00 . volume 18729 2 >> 62 736190.75 . height 18729 2 >> 62 16488855.00 . volume 18729 2 >> 63 2696206.25 . height 18729 2 >> 63 57869321.75 . volume 18729 2 >> 64 -915466.25 . height 18729 2 >> 64 -20019179.25 . volume 18729 2 >> 65 3982317.00 . height 18729 2 >> 65 85234968.25 . volume 18729 2 >> 66 1364959.00 . height 18729 2 >> 66 30863260.75 . volume 18729 2 >> 67 -1331138.50 . height 18729 2 >> 67 -29820277.75 . volume 18729 2 >> 68 490057.75 . height 18729 2 >> 68 10846307.00 . volume 18729 2 >> 69 1528568.25 . height 18729 2 >> 69 34641113.25 . volume 18729 2 >> 70 1451015.25 . height 18729 2 >> 70 32311532.25 . volume 18729 2 >> 71 -1046618.25 . height 18729 2 >> 71 -23011897.75 . volume 18729 2 >> 72 3243470.50 . height 18729 2 >> 72 72577913.25 . volume 18729 2 >> 73 -2323059.00 . height 18729 2 >> 73 -50772087.25 . volume 18729 2 >> 74 1472559.50 . height 18729 2 >> 74 33156863.75 . volume 18729 2 >> 75 654578.50 . height 18729 2 >> 75 15142271.50 . volume 18729 2 >> 76 -711965.00 . height 18729 2 >> 76 -16210165.75 . volume 18729 2 >> 77 1466871.25 . height 18729 2 >> 77 32353569.75 . volume 18729 2 >> 78 737768.25 . height 18729 2 >> 78 16827116.25 . volume 18729 2 >> 79 -588656.00 . height 18729 2 >> 79 -13022629.25 . volume 18729 2 >> 80 2569157.25 . height 18729 2 >> 80 56209057.00 . volume 18729 2 >> 81 -392552.25 . height 18729 2 >> 81 -8633002.00 . volume 18729 2 >> 82 2395752.75 . height 18729 2 >> 82 53453834.50 . volume 18729 2 >> 83 -1832787.00 . height 18729 2 >> 83 -41247010.75 . volume 18729 2 >> 84 1392427.75 . height 18729 2 >> 84 31269417.50 . volume 18729 2 >> 85 408768.00 . height 18729 2 >> 85 9119220.75 . volume 18729 2 >> 86 -480153.75 . height 18729 2 >> 86 -11090169.00 . volume 18729 2 >> 87 630454.00 . height 18729 2 >> 87 14450643.75 . volume 18729 2 >> 88 646781.50 . height 18729 2 >> 88 14503737.50 . volume 18729 2 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 7.620 . 25.7195532322 . . . . . . . . . . 1 18729 2 >> 1 2 54.397 . 112.2123003010 . . . . . . . . . . 1 18729 2 >> 1 3 111.410 . 57.9522387816 . . . . . . . . . . 1 18729 2 >> 2 1 7.037 . 25.3501534462 . . . . . . . . . . 1 18729 2 >> 2 2 54.401 . 115.6508922580 . . . . . . . . . . 1 18729 2 >> 2 3 111.459 . 45.7595893018 . . . . . . . . . . 1 18729 2 >> 3 1 7.616 . 27.2132456303 . . . . . . . . . . 1 18729 2 >> 3 2 37.238 . 100.9398698810 . . . . . . . . . . 1 18729 2 >> 3 3 111.341 . 33.8451329047 . . . . . . . . . . 1 18729 2 >> 4 1 7.038 . 28.3123552799 . . . . . . . . . . 1 18729 2 >> 4 2 37.208 . 109.1450452800 . . . . . . . . . . 1 18729 2 >> 4 3 111.463 . 38.1713399336 . . . . . . . . . . 1 18729 2 >> 5 1 8.882 . 27.0055234432 . . . . . . . . . . 1 18729 2 >> 5 2 44.731 . 93.8624143600 . . . . . . . . . . 1 18729 2 >> 5 3 109.387 . 37.8087497704 . . . . . . . . . . 1 18729 2 >> 6 1 8.883 . 24.8692929745 . . . . . . . . . . 1 18729 2 >> 6 2 57.114 . 128.7698745730 . . . . . . . . . . 1 18729 2 >> 6 3 109.336 . 45.6405449990 . . . . . . . . . . 1 18729 2 >> 7 1 8.889 . 31.0270488262 . . . . . . . . . . 1 18729 2 >> 7 2 38.871 . 218.7907695770 . . . . . . . . . . 1 18729 2 >> 7 3 109.337 . 36.2695500859 . . . . . . . . . . 1 18729 2 >> 8 1 9.259 . 23.8256901503 . . . . . . . . . . 1 18729 2 >> 8 2 38.720 . 112.8917932510 . . . . . . . . . . 1 18729 2 >> 8 3 122.648 . 41.6774357849 . . . . . . . . . . 1 18729 2 >> 9 1 9.258 . 26.1834263802 . . . . . . . . . . 1 18729 2 >> 9 2 57.078 . 117.1010732650 . . . . . . . . . . 1 18729 2 >> 9 3 122.670 . 37.1354768214 . . . . . . . . . . 1 18729 2 >> 10 1 9.259 . 25.6065279245 . . . . . . . . . . 1 18729 2 >> 10 2 36.597 . 207.0832252500 . . . . . . . . . . 1 18729 2 >> 10 3 122.709 . 39.5463143219 . . . . . . . . . . 1 18729 2 >> 11 1 9.258 . 30.5733829737 . . . . . . . . . . 1 18729 2 >> 11 2 55.393 . 122.8633522990 . . . . . . . . . . 1 18729 2 >> 11 3 122.597 . 35.6309243593 . . . . . . . . . . 1 18729 2 >> 12 1 9.442 . 26.3976305723 . . . . . . . . . . 1 18729 2 >> 12 2 55.409 . 110.1753115650 . . . . . . . . . . 1 18729 2 >> 12 3 120.750 . 34.0425459249 . . . . . . . . . . 1 18729 2 >> 13 1 9.443 . 25.3457576036 . . . . . . . . . . 1 18729 2 >> 13 2 36.579 . 113.9932870860 . . . . . . . . . . 1 18729 2 >> 13 3 120.752 . 33.6720237054 . . . . . . . . . . 1 18729 2 >> 14 1 9.441 . 26.4862924814 . . . . . . . . . . 1 18729 2 >> 14 2 55.722 . 157.0823788640 . . . . . . . . . . 1 18729 2 >> 14 3 120.728 . 37.3559879899 . . . . . . . . . . 1 18729 2 >> 15 1 9.440 . 29.0417671204 . . . . . . . . . . 1 18729 2 >> 15 2 30.053 . 116.4251565930 . . . . . . . . . . 1 18729 2 >> 15 3 120.728 . 30.5446994123 . . . . . . . . . . 1 18729 2 >> 16 1 8.220 . 24.8365104198 . . . . . . . . . . 1 18729 2 >> 16 2 55.883 . 104.1585206990 . . . . . . . . . . 1 18729 2 >> 16 3 126.958 . 42.1463789605 . . . . . . . . . . 1 18729 2 >> 17 1 8.221 . 31.3164293766 . . . . . . . . . . 1 18729 2 >> 17 2 29.923 . 119.2420721050 . . . . . . . . . . 1 18729 2 >> 17 3 126.816 . 37.8366706090 . . . . . . . . . . 1 18729 2 >> 18 1 8.226 . 28.6319851875 . . . . . . . . . . 1 18729 2 >> 18 2 53.712 . 88.2446765900 . . . . . . . . . . 1 18729 2 >> 18 3 126.880 . 37.8284212704 . . . . . . . . . . 1 18729 2 >> 19 1 8.217 . 26.8208980560 . . . . . . . . . . 1 18729 2 >> 19 2 41.942 . 116.0389184950 . . . . . . . . . . 1 18729 2 >> 19 3 126.870 . 39.1312456735 . . . . . . . . . . 1 18729 2 >> 20 1 8.606 . 26.5263020992 . . . . . . . . . . 1 18729 2 >> 20 2 41.931 . 119.1538572310 . . . . . . . . . . 1 18729 2 >> 20 3 119.942 . 37.6023893906 . . . . . . . . . . 1 18729 2 >> 21 1 8.606 . 23.1912732124 . . . . . . . . . . 1 18729 2 >> 21 2 53.650 . 134.3652606010 . . . . . . . . . . 1 18729 2 >> 21 3 119.823 . 44.7662420120 . . . . . . . . . . 1 18729 2 >> 22 1 8.607 . 25.7015228271 . . . . . . . . . . 1 18729 2 >> 22 2 44.408 . 98.7678766251 . . . . . . . . . . 1 18729 2 >> 22 3 119.889 . 35.5029961533 . . . . . . . . . . 1 18729 2 >> 23 1 7.662 . 25.9613990784 . . . . . . . . . . 1 18729 2 >> 23 2 44.422 . 89.7508859634 . . . . . . . . . . 1 18729 2 >> 23 3 109.263 . 38.3445760458 . . . . . . . . . . 1 18729 2 >> 24 1 7.662 . 25.9250402451 . . . . . . . . . . 1 18729 2 >> 24 2 55.205 . 131.9524645810 . . . . . . . . . . 1 18729 2 >> 24 3 109.280 . 37.4682424524 . . . . . . . . . . 1 18729 2 >> 25 1 8.328 . 25.3959000111 . . . . . . . . . . 1 18729 2 >> 25 2 44.626 . 90.8970832825 . . . . . . . . . . 1 18729 2 >> 25 3 108.234 . 38.3713546683 . . . . . . . . . . 1 18729 2 >> 26 1 8.417 . 26.7830491066 . . . . . . . . . . 1 18729 2 >> 26 2 46.058 . 92.2325253487 . . . . . . . . . . 1 18729 2 >> 26 3 114.600 . 37.9887122665 . . . . . . . . . . 1 18729 2 >> 27 1 8.414 . 24.7719883919 . . . . . . . . . . 1 18729 2 >> 27 2 54.759 . 106.9986820220 . . . . . . . . . . 1 18729 2 >> 27 3 114.587 . 39.8795876046 . . . . . . . . . . 1 18729 2 >> 28 1 8.414 . 27.8732180595 . . . . . . . . . . 1 18729 2 >> 28 2 38.271 . 117.6494359970 . . . . . . . . . . 1 18729 2 >> 28 3 114.559 . 35.5304093403 . . . . . . . . . . 1 18729 2 >> 29 1 8.695 . 22.5849449635 . . . . . . . . . . 1 18729 2 >> 29 2 54.853 . 109.5366477970 . . . . . . . . . . 1 18729 2 >> 29 3 115.851 . 38.5593126773 . . . . . . . . . . 1 18729 2 >> 30 1 8.689 . 24.4742631912 . . . . . . . . . . 1 18729 2 >> 30 2 38.323 . 120.8889484410 . . . . . . . . . . 1 18729 2 >> 30 3 115.843 . 48.7560029356 . . . . . . . . . . 1 18729 2 >> 31 1 8.693 . 41.5775179863 . . . . . . . . . . 1 18729 2 >> 31 2 34.064 . 106.8598032000 . . . . . . . . . . 1 18729 2 >> 31 3 115.713 . 29.2290568060 . . . . . . . . . . 1 18729 2 >> 32 1 8.693 . 35.8200073242 . . . . . . . . . . 1 18729 2 >> 32 2 53.914 . 372.8231787680 . . . . . . . . . . 1 18729 2 >> 32 3 115.789 . 48.1536742992 . . . . . . . . . . 1 18729 2 >> 33 1 9.616 . 25.2452492714 . . . . . . . . . . 1 18729 2 >> 33 2 53.897 . 131.6976547240 . . . . . . . . . . 1 18729 2 >> 33 3 125.161 . 37.7556367206 . . . . . . . . . . 1 18729 2 >> 34 1 9.618 . 27.0368903875 . . . . . . . . . . 1 18729 2 >> 34 2 34.126 . 121.6506958010 . . . . . . . . . . 1 18729 2 >> 34 3 125.160 . 38.2565619478 . . . . . . . . . . 1 18729 2 >> 35 1 9.616 . 26.0781496763 . . . . . . . . . . 1 18729 2 >> 35 2 35.937 . 123.2969760890 . . . . . . . . . . 1 18729 2 >> 35 3 125.224 . 39.8797779739 . . . . . . . . . . 1 18729 2 >> 36 1 8.991 . 23.8122791052 . . . . . . . . . . 1 18729 2 >> 36 2 53.581 . 109.4886660580 . . . . . . . . . . 1 18729 2 >> 36 3 125.112 . 38.5336128145 . . . . . . . . . . 1 18729 2 >> 37 1 8.990 . 23.6555933952 . . . . . . . . . . 1 18729 2 >> 37 2 35.944 . 104.8278808590 . . . . . . . . . . 1 18729 2 >> 37 3 125.117 . 38.2096041738 . . . . . . . . . . 1 18729 2 >> 38 1 8.993 . 25.0314176083 . . . . . . . . . . 1 18729 2 >> 38 2 54.715 . 315.2063488960 . . . . . . . . . . 1 18729 2 >> 38 3 125.130 . 37.0560293442 . . . . . . . . . . 1 18729 2 >> 39 1 7.877 . 27.2490084171 . . . . . . . . . . 1 18729 2 >> 39 2 33.806 . 118.8135147090 . . . . . . . . . . 1 18729 2 >> 39 3 121.321 . 36.6609494780 . . . . . . . . . . 1 18729 2 >> 40 1 7.877 . 25.0262022018 . . . . . . . . . . 1 18729 2 >> 40 2 54.748 . 93.4451818466 . . . . . . . . . . 1 18729 2 >> 40 3 121.298 . 36.5211549156 . . . . . . . . . . 1 18729 2 >> 41 1 7.876 . 30.7807326317 . . . . . . . . . . 1 18729 2 >> 41 2 57.420 . 142.9417729380 . . . . . . . . . . 1 18729 2 >> 41 3 121.182 . 33.3876753468 . . . . . . . . . . 1 18729 2 >> 42 1 8.369 . 24.1006910801 . . . . . . . . . . 1 18729 2 >> 42 2 37.880 . 95.3042507172 . . . . . . . . . . 1 18729 2 >> 42 3 106.117 . 36.2171350571 . . . . . . . . . . 1 18729 2 >> 43 1 8.371 . 24.1677463055 . . . . . . . . . . 1 18729 2 >> 43 2 57.514 . 113.9602065090 . . . . . . . . . . 1 18729 2 >> 43 3 106.085 . 38.1483686982 . . . . . . . . . . 1 18729 2 >> 44 1 8.992 . 26.1186063290 . . . . . . . . . . 1 18729 2 >> 44 2 33.708 . 169.3981885910 . . . . . . . . . . 1 18729 2 >> 44 3 125.081 . 57.6332432006 . . . . . . . . . . 1 18729 2 >> 45 1 8.705 . 25.7408618927 . . . . . . . . . . 1 18729 2 >> 45 2 37.410 . 119.9436187740 . . . . . . . . . . 1 18729 2 >> 45 3 119.307 . 36.8620429724 . . . . . . . . . . 1 18729 2 >> 46 1 8.705 . 24.9582529068 . . . . . . . . . . 1 18729 2 >> 46 2 54.252 . 107.4266433720 . . . . . . . . . . 1 18729 2 >> 46 3 119.320 . 38.7433363863 . . . . . . . . . . 1 18729 2 >> 47 1 9.562 . 26.1265039444 . . . . . . . . . . 1 18729 2 >> 47 2 37.328 . 130.7570934300 . . . . . . . . . . 1 18729 2 >> 47 3 113.188 . 39.5862918863 . . . . . . . . . . 1 18729 2 >> 48 1 9.561 . 22.4348902702 . . . . . . . . . . 1 18729 2 >> 48 2 54.290 . 121.8342781070 . . . . . . . . . . 1 18729 2 >> 48 3 113.127 . 42.5379052655 . . . . . . . . . . 1 18729 2 >> 49 1 8.703 . 30.4451584816 . . . . . . . . . . 1 18729 2 >> 49 2 30.496 . 110.5636358260 . . . . . . . . . . 1 18729 2 >> 49 3 119.399 . 38.9892935918 . . . . . . . . . . 1 18729 2 >> 50 1 8.705 . 23.8512456417 . . . . . . . . . . 1 18729 2 >> 50 2 56.163 . 132.3524117470 . . . . . . . . . . 1 18729 2 >> 50 3 119.323 . 37.6435726275 . . . . . . . . . . 1 18729 2 >> 51 1 9.563 . 25.6128609180 . . . . . . . . . . 1 18729 2 >> 51 2 44.718 . 98.9800691605 . . . . . . . . . . 1 18729 2 >> 51 3 113.175 . 39.8671501401 . . . . . . . . . . 1 18729 2 >> 52 1 8.992 . 23.7485021353 . . . . . . . . . . 1 18729 2 >> 52 2 30.412 . 130.1002502440 . . . . . . . . . . 1 18729 2 >> 52 3 129.874 . 40.7242881570 . . . . . . . . . . 1 18729 2 >> 53 1 8.992 . 24.4472175837 . . . . . . . . . . 1 18729 2 >> 53 2 56.191 . 93.4961438179 . . . . . . . . . . 1 18729 2 >> 53 3 129.841 . 39.2506389868 . . . . . . . . . . 1 18729 2 >> 54 1 10.609 . 30.1714800298 . . . . . . . . . . 1 18729 2 >> 54 2 56.809 . 121.0418343540 . . . . . . . . . . 1 18729 2 >> 54 3 127.192 . 39.4227011547 . . . . . . . . . . 1 18729 2 >> 55 1 10.608 . 33.4508344531 . . . . . . . . . . 1 18729 2 >> 55 2 54.235 . 98.4108448029 . . . . . . . . . . 1 18729 2 >> 55 3 127.279 . 36.1956867765 . . . . . . . . . . 1 18729 2 >> 56 1 9.148 . 26.6149640083 . . . . . . . . . . 1 18729 2 >> 56 2 54.351 . 107.8826189040 . . . . . . . . . . 1 18729 2 >> 56 3 125.338 . 35.9613421016 . . . . . . . . . . 1 18729 2 >> 57 1 9.150 . 27.1820276976 . . . . . . . . . . 1 18729 2 >> 57 2 34.408 . 128.3389329910 . . . . . . . . . . 1 18729 2 >> 57 3 125.298 . 37.8913700701 . . . . . . . . . . 1 18729 2 >> 58 1 9.147 . 27.1735340357 . . . . . . . . . . 1 18729 2 >> 58 2 44.749 . 109.1486215590 . . . . . . . . . . 1 18729 2 >> 58 3 125.392 . 37.7062041450 . . . . . . . . . . 1 18729 2 >> 59 1 10.611 . 25.2773240209 . . . . . . . . . . 1 18729 2 >> 59 2 39.162 . 188.1086826320 . . . . . . . . . . 1 18729 2 >> 59 3 127.185 . 75.7795038612 . . . . . . . . . . 1 18729 2 >> 60 1 8.766 . 31.0650467873 . . . . . . . . . . 1 18729 2 >> 60 2 39.570 . 151.4488458630 . . . . . . . . . . 1 18729 2 >> 60 3 132.516 . 32.6550706157 . . . . . . . . . . 1 18729 2 >> 61 1 8.766 . 25.3647565842 . . . . . . . . . . 1 18729 2 >> 61 2 60.371 . 117.8708672520 . . . . . . . . . . 1 18729 2 >> 61 3 132.526 . 37.3593829100 . . . . . . . . . . 1 18729 2 >> 62 1 8.767 . 46.1596250534 . . . . . . . . . . 1 18729 2 >> 62 2 56.841 . 127.3232698440 . . . . . . . . . . 1 18729 2 >> 62 3 132.523 . 30.5003909451 . . . . . . . . . . 1 18729 2 >> 63 1 8.433 . 23.3310461044 . . . . . . . . . . 1 18729 2 >> 63 2 58.642 . 97.2071290016 . . . . . . . . . . 1 18729 2 >> 63 3 120.646 . 37.1998851195 . . . . . . . . . . 1 18729 2 >> 64 1 8.433 . 23.5646963120 . . . . . . . . . . 1 18729 2 >> 64 2 39.676 . 120.4663515090 . . . . . . . . . . 1 18729 2 >> 64 3 120.659 . 34.3557035125 . . . . . . . . . . 1 18729 2 >> 65 1 8.434 . 24.5210528374 . . . . . . . . . . 1 18729 2 >> 65 2 44.596 . 89.9553298950 . . . . . . . . . . 1 18729 2 >> 65 3 120.637 . 37.0070409638 . . . . . . . . . . 1 18729 2 >> 66 1 6.943 . 26.7958641052 . . . . . . . . . . 1 18729 2 >> 66 2 50.173 . 118.9759373660 . . . . . . . . . . 1 18729 2 >> 66 3 122.538 . 39.7213906713 . . . . . . . . . . 1 18729 2 >> 67 1 6.941 . 25.0022113323 . . . . . . . . . . 1 18729 2 >> 67 2 46.729 . 116.8319582940 . . . . . . . . . . 1 18729 2 >> 67 3 122.564 . 40.0420361201 . . . . . . . . . . 1 18729 2 >> 68 1 6.948 . 35.7744097710 . . . . . . . . . . 1 18729 2 >> 68 2 58.547 . 117.6226139070 . . . . . . . . . . 1 18729 2 >> 68 3 122.540 . 31.6226976083 . . . . . . . . . . 1 18729 2 >> 69 1 8.808 . 27.9104709625 . . . . . . . . . . 1 18729 2 >> 69 2 64.513 . 120.6892728810 . . . . . . . . . . 1 18729 2 >> 69 3 121.902 . 38.2606866171 . . . . . . . . . . 1 18729 2 >> 70 1 8.807 . 26.8161296844 . . . . . . . . . . 1 18729 2 >> 70 2 54.114 . 115.5936717990 . . . . . . . . . . 1 18729 2 >> 70 3 121.903 . 36.4052834354 . . . . . . . . . . 1 18729 2 >> 71 1 8.806 . 23.9476561546 . . . . . . . . . . 1 18729 2 >> 71 2 41.511 . 112.6730442050 . . . . . . . . . . 1 18729 2 >> 71 3 121.899 . 37.7205453030 . . . . . . . . . . 1 18729 2 >> 72 1 8.244 . 24.9013304710 . . . . . . . . . . 1 18729 2 >> 72 2 54.185 . 119.5612549780 . . . . . . . . . . 1 18729 2 >> 72 3 117.981 . 38.5769535708 . . . . . . . . . . 1 18729 2 >> 73 1 8.243 . 25.3185629845 . . . . . . . . . . 1 18729 2 >> 73 2 41.540 . 102.4794578550 . . . . . . . . . . 1 18729 2 >> 73 3 117.998 . 37.5105044490 . . . . . . . . . . 1 18729 2 >> 74 1 7.932 . 27.2382795811 . . . . . . . . . . 1 18729 2 >> 74 2 55.132 . 126.4664530750 . . . . . . . . . . 1 18729 2 >> 74 3 114.946 . 37.2437335274 . . . . . . . . . . 1 18729 2 >> 75 1 7.931 . 25.1862406731 . . . . . . . . . . 1 18729 2 >> 75 2 57.433 . 129.0935277940 . . . . . . . . . . 1 18729 2 >> 75 3 115.033 . 47.9001023195 . . . . . . . . . . 1 18729 2 >> 76 1 7.928 . 26.1594355106 . . . . . . . . . . 1 18729 2 >> 76 2 33.835 . 132.3217153550 . . . . . . . . . . 1 18729 2 >> 76 3 114.940 . 40.5732935310 . . . . . . . . . . 1 18729 2 >> 77 1 7.460 . 25.2717733383 . . . . . . . . . . 1 18729 2 >> 77 2 57.342 . 98.6358523369 . . . . . . . . . . 1 18729 2 >> 77 3 116.329 . 38.9462701178 . . . . . . . . . . 1 18729 2 >> 78 1 7.458 . 30.7779014111 . . . . . . . . . . 1 18729 2 >> 78 2 58.673 . 121.1765408520 . . . . . . . . . . 1 18729 2 >> 78 3 116.281 . 40.3358394899 . . . . . . . . . . 1 18729 2 >> 79 1 8.741 . 22.7952003479 . . . . . . . . . . 1 18729 2 >> 79 2 28.788 . 135.5779170990 . . . . . . . . . . 1 18729 2 >> 79 3 119.951 . 35.4189163552 . . . . . . . . . . 1 18729 2 >> 80 1 8.741 . 28.9548933506 . . . . . . . . . . 1 18729 2 >> 80 2 58.822 . 108.2831621170 . . . . . . . . . . 1 18729 2 >> 80 3 119.925 . 33.8427850160 . . . . . . . . . . 1 18729 2 >> 81 1 8.739 . 37.1883809566 . . . . . . . . . . 1 18729 2 >> 81 2 31.742 . 98.4013080597 . . . . . . . . . . 1 18729 2 >> 81 3 119.870 . 35.0871660275 . . . . . . . . . . 1 18729 2 >> 82 1 8.123 . 23.8706171513 . . . . . . . . . . 1 18729 2 >> 82 2 52.527 . 112.6685738560 . . . . . . . . . . 1 18729 2 >> 82 3 117.039 . 40.9943905423 . . . . . . . . . . 1 18729 2 >> 83 1 8.122 . 22.9354202747 . . . . . . . . . . 1 18729 2 >> 83 2 40.912 . 118.2556152340 . . . . . . . . . . 1 18729 2 >> 83 3 117.103 . 44.3258542394 . . . . . . . . . . 1 18729 2 >> 84 1 8.124 . 27.1493196487 . . . . . . . . . . 1 18729 2 >> 84 2 60.784 . 123.8566637040 . . . . . . . . . . 1 18729 2 >> 84 3 117.150 . 39.1308014783 . . . . . . . . . . 1 18729 2 >> 85 1 7.993 . 25.1588225365 . . . . . . . . . . 1 18729 2 >> 85 2 37.765 . 113.1927967070 . . . . . . . . . . 1 18729 2 >> 85 3 108.080 . 40.6145402244 . . . . . . . . . . 1 18729 2 >> 86 1 8.241 . 28.7216901779 . . . . . . . . . . 1 18729 2 >> 86 2 30.019 . 131.3894987110 . . . . . . . . . . 1 18729 2 >> 86 3 117.982 . 41.6623331495 . . . . . . . . . . 1 18729 2 >> 87 1 8.241 . 28.7497043610 . . . . . . . . . . 1 18729 2 >> 87 2 56.347 . 125.8563995360 . . . . . . . . . . 1 18729 2 >> 87 3 118.129 . 47.9329727613 . . . . . . . . . . 1 18729 2 >> 88 1 8.993 . 20.6921994686 . . . . . . . . . . 1 18729 2 >> 88 2 64.517 . 108.0039143560 . . . . . . . . . . 1 18729 2 >> 88 3 129.835 . 53.1318646377 . . . . . . . . . . 1 18729 2 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 . 1 . . 7.620 . 1 1 1 6 ASN HD21 . . . . . . 7 . 18729 2 >> 1 2 . 1 . . 54.397 . 1 1 1 6 ASN CA . . . . . . 69 . 18729 2 >> 1 3 . 1 . . 111.410 . 1 1 1 6 ASN ND2 . . . . . . 8 . 18729 2 >> 2 1 . 1 . . 7.037 . 1 1 1 6 ASN HD22 . . . . . . 11 . 18729 2 >> 2 2 . 1 . . 54.401 . 1 1 1 6 ASN CA . . . . . . 69 . 18729 2 >> 2 3 . 1 . . 111.459 . 1 1 1 6 ASN ND2 . . . . . . 8 . 18729 2 >> 3 1 . 1 . . 7.616 . 1 1 1 6 ASN HD21 . . . . . . 7 . 18729 2 >> 3 2 . 1 . . 37.238 . 1 1 1 6 ASN CB . . . . . . 70 . 18729 2 >> 3 3 . 1 . . 111.341 . 1 1 1 6 ASN ND2 . . . . . . 8 . 18729 2 >> 4 1 . 1 . . 7.038 . 1 1 1 6 ASN HD22 . . . . . . 11 . 18729 2 >> 4 2 . 1 . . 37.208 . 1 1 1 6 ASN CB . . . . . . 70 . 18729 2 >> 4 3 . 1 . . 111.463 . 1 1 1 6 ASN ND2 . . . . . . 8 . 18729 2 >> 5 1 . 1 . . 8.882 . 1 1 1 22 GLY H . . . . . . 16 . 18729 2 >> 5 2 . 1 . . 44.731 . 1 1 1 22 GLY CA . . . . . . 72 . 18729 2 >> 5 3 . 1 . . 109.387 . 1 1 1 22 GLY N . . . . . . 17 . 18729 2 >> 6 1 . 1 . . 8.883 . 1 1 1 22 GLY H . . . . . . 16 . 18729 2 >> 6 2 . 1 . . 57.114 . 1 1 1 21 CYS CA . . . . . . 74 . 18729 2 >> 6 3 . 1 . . 109.336 . 1 1 1 22 GLY N . . . . . . 17 . 18729 2 >> 7 1 . 1 . . 8.889 . 1 1 1 22 GLY H . . . . . . 16 . 18729 2 >> 7 2 . 1 . . 38.871 . 1 1 1 21 CYS CB . . . . . . 73 . 18729 2 >> 7 3 . 1 . . 109.337 . 1 1 1 22 GLY N . . . . . . 17 . 18729 2 >> 8 1 . 1 . . 9.259 . 1 1 1 21 CYS H . . . . . . 3 . 18729 2 >> 8 2 . 1 . . 38.720 . 1 1 1 21 CYS CB . . . . . . 73 . 18729 2 >> 8 3 . 1 . . 122.648 . 1 1 1 21 CYS N . . . . . . 4 . 18729 2 >> 9 1 . 1 . . 9.258 . 1 1 1 21 CYS H . . . . . . 3 . 18729 2 >> 9 2 . 1 . . 57.078 . 1 1 1 21 CYS CA . . . . . . 74 . 18729 2 >> 9 3 . 1 . . 122.670 . 1 1 1 21 CYS N . . . . . . 4 . 18729 2 >> 10 1 . 1 . . 9.259 . 1 1 1 21 CYS H . . . . . . 3 . 18729 2 >> 10 2 . 1 . . 36.597 . 1 1 1 20 CYS CB . . . . . . 76 . 18729 2 >> 10 3 . 1 . . 122.709 . 1 1 1 21 CYS N . . . . . . 4 . 18729 2 >> 11 1 . 1 . . 9.258 . 1 1 1 21 CYS H . . . . . . 3 . 18729 2 >> 11 2 . 1 . . 55.393 . 1 1 1 20 CYS CA . . . . . . 75 . 18729 2 >> 11 3 . 1 . . 122.597 . 1 1 1 21 CYS N . . . . . . 4 . 18729 2 >> 12 1 . 1 . . 9.442 . 1 1 1 20 CYS H . . . . . . 30 . 18729 2 >> 12 2 . 1 . . 55.409 . 1 1 1 20 CYS CA . . . . . . 75 . 18729 2 >> 12 3 . 1 . . 120.750 . 1 1 1 20 CYS N . . . . . . 31 . 18729 2 >> 13 1 . 1 . . 9.443 . 1 1 1 20 CYS H . . . . . . 30 . 18729 2 >> 13 2 . 1 . . 36.579 . 1 1 1 20 CYS CB . . . . . . 76 . 18729 2 >> 13 3 . 1 . . 120.752 . 1 1 1 20 CYS N . . . . . . 31 . 18729 2 >> 14 1 . 1 . . 9.441 . 1 1 1 20 CYS H . . . . . . 30 . 18729 2 >> 14 2 . 1 . . 55.722 . 1 1 1 19 TRP CA . . . . . . 77 . 18729 2 >> 14 3 . 1 . . 120.728 . 1 1 1 20 CYS N . . . . . . 31 . 18729 2 >> 15 1 . 1 . . 9.440 . 1 1 1 20 CYS H . . . . . . 30 . 18729 2 >> 15 2 . 1 . . 30.053 . 1 1 1 19 TRP CB . . . . . . 78 . 18729 2 >> 15 3 . 1 . . 120.728 . 1 1 1 20 CYS N . . . . . . 31 . 18729 2 >> 16 1 . 1 . . 8.220 . 1 1 1 19 TRP H . . . . . . 46 . 18729 2 >> 16 2 . 1 . . 55.883 . 1 1 1 19 TRP CA . . . . . . 77 . 18729 2 >> 16 3 . 1 . . 126.958 . 1 1 1 19 TRP N . . . . . . 47 . 18729 2 >> 17 1 . 1 . . 8.221 . 1 1 1 19 TRP H . . . . . . 46 . 18729 2 >> 17 2 . 1 . . 29.923 . 1 1 1 19 TRP CB . . . . . . 78 . 18729 2 >> 17 3 . 1 . . 126.816 . 1 1 1 19 TRP N . . . . . . 47 . 18729 2 >> 18 1 . 1 . . 8.226 . 1 1 1 19 TRP H . . . . . . 46 . 18729 2 >> 18 2 . 1 . . 53.712 . 1 1 1 18 ASP CA . . . . . . 80 . 18729 2 >> 18 3 . 1 . . 126.880 . 1 1 1 19 TRP N . . . . . . 47 . 18729 2 >> 19 1 . 1 . . 8.217 . 1 1 1 19 TRP H . . . . . . 46 . 18729 2 >> 19 2 . 1 . . 41.942 . 1 1 1 18 ASP CB . . . . . . 79 . 18729 2 >> 19 3 . 1 . . 126.870 . 1 1 1 19 TRP N . . . . . . 47 . 18729 2 >> 20 1 . 1 . . 8.606 . 1 1 1 18 ASP H . . . . . . 56 . 18729 2 >> 20 2 . 1 . . 41.931 . 1 1 1 18 ASP CB . . . . . . 79 . 18729 2 >> 20 3 . 1 . . 119.942 . 1 1 1 18 ASP N . . . . . . 57 . 18729 2 >> 21 1 . 1 . . 8.606 . 1 1 1 18 ASP H . . . . . . 56 . 18729 2 >> 21 2 . 1 . . 53.650 . 1 1 1 18 ASP CA . . . . . . 80 . 18729 2 >> 21 3 . 1 . . 119.823 . 1 1 1 18 ASP N . . . . . . 57 . 18729 2 >> 22 1 . 1 . . 8.607 . 1 1 1 18 ASP H . . . . . . 56 . 18729 2 >> 22 2 . 1 . . 44.408 . 1 1 1 17 GLY CA . . . . . . 81 . 18729 2 >> 22 3 . 1 . . 119.889 . 1 1 1 18 ASP N . . . . . . 57 . 18729 2 >> 23 1 . 1 . . 7.662 . 1 1 1 17 GLY H . . . . . . 20 . 18729 2 >> 23 2 . 1 . . 44.422 . 1 1 1 17 GLY CA . . . . . . 81 . 18729 2 >> 23 3 . 1 . . 109.263 . 1 1 1 17 GLY N . . . . . . 21 . 18729 2 >> 24 1 . 1 . . 7.662 . 1 1 1 17 GLY H . . . . . . 20 . 18729 2 >> 24 2 . 1 . . 55.205 . 1 1 1 16 MET CA . . . . . . 83 . 18729 2 >> 24 3 . 1 . . 109.280 . 1 1 1 17 GLY N . . . . . . 21 . 18729 2 >> 25 1 . 1 . . 8.328 . 1 1 1 8 GLY H . . . . . . 28 . 18729 2 >> 25 2 . 3 . . 44.626 . 1 1 1 8 GLY CA . . . . . . 110 . 18729 2 >> 25 3 . 1 . . 108.234 . 1 1 1 8 GLY N . . . . . . 29 . 18729 2 >> 26 1 . 1 . . 8.417 . 1 1 1 32 GLY H . . . . . . 44 . 18729 2 >> 26 2 . 1 . . 46.058 . 1 1 1 32 GLY CA . . . . . . 84 . 18729 2 >> 26 3 . 1 . . 114.600 . 1 1 1 32 GLY N . . . . . . 45 . 18729 2 >> 27 1 . 1 . . 8.414 . 1 1 1 32 GLY H . . . . . . 44 . 18729 2 >> 27 2 . 1 . . 54.759 . 1 1 1 31 ASN CA . . . . . . 68 . 18729 2 >> 27 3 . 1 . . 114.587 . 1 1 1 32 GLY N . . . . . . 45 . 18729 2 >> 28 1 . 1 . . 8.414 . 1 1 1 32 GLY H . . . . . . 44 . 18729 2 >> 28 2 . 1 . . 38.271 . 1 1 1 31 ASN CB . . . . . . 71 . 18729 2 >> 28 3 . 1 . . 114.559 . 1 1 1 32 GLY N . . . . . . 45 . 18729 2 >> 29 1 . 1 . . 8.695 . 1 1 1 31 ASN H . . . . . . 24 . 18729 2 >> 29 2 . 1 . . 54.853 . 1 1 1 31 ASN CA . . . . . . 68 . 18729 2 >> 29 3 . 1 . . 115.851 . 1 1 1 31 ASN N . . . . . . 25 . 18729 2 >> 30 1 . 1 . . 8.689 . 1 1 1 31 ASN H . . . . . . 24 . 18729 2 >> 30 2 . 1 . . 38.323 . 1 1 1 31 ASN CB . . . . . . 71 . 18729 2 >> 30 3 . 1 . . 115.843 . 1 1 1 31 ASN N . . . . . . 25 . 18729 2 >> 31 1 . 1 . . 8.693 . 1 1 1 31 ASN H . . . . . . 24 . 18729 2 >> 31 2 . 1 . . 34.064 . 1 1 1 30 ARG CB . . . . . . 85 . 18729 2 >> 31 3 . 1 . . 115.713 . 1 1 1 31 ASN N . . . . . . 25 . 18729 2 >> 32 1 . 1 . . 8.693 . 1 1 1 31 ASN H . . . . . . 24 . 18729 2 >> 32 2 . 1 . . 53.914 . 1 1 1 30 ARG CA . . . . . . 86 . 18729 2 >> 32 3 . 1 . . 115.789 . 1 1 1 31 ASN N . . . . . . 25 . 18729 2 >> 33 1 . 1 . . 9.616 . 1 1 1 30 ARG H . . . . . . 59 . 18729 2 >> 33 2 . 1 . . 53.897 . 1 1 1 30 ARG CA . . . . . . 86 . 18729 2 >> 33 3 . 1 . . 125.161 . 1 1 1 30 ARG N . . . . . . 60 . 18729 2 >> 34 1 . 1 . . 9.618 . 1 1 1 30 ARG H . . . . . . 59 . 18729 2 >> 34 2 . 1 . . 34.126 . 1 1 1 30 ARG CB . . . . . . 85 . 18729 2 >> 34 3 . 1 . . 125.160 . 1 1 1 30 ARG N . . . . . . 60 . 18729 2 >> 35 1 . 1 . . 9.616 . 1 1 1 30 ARG H . . . . . . 59 . 18729 2 >> 35 2 . 1 . . 35.937 . 1 1 1 29 CYS CB . . . . . . 87 . 18729 2 >> 35 3 . 1 . . 125.224 . 1 1 1 30 ARG N . . . . . . 60 . 18729 2 >> 36 1 . 1 . . 8.991 . 1 1 1 29 CYS H . . . . . . 61 . 18729 2 >> 36 2 . 1 . . 53.581 . 1 1 1 29 CYS CA . . . . . . 88 . 18729 2 >> 36 3 . 1 . . 125.112 . 1 1 1 29 CYS N . . . . . . 62 . 18729 2 >> 37 1 . 1 . . 8.990 . 1 1 1 29 CYS H . . . . . . 61 . 18729 2 >> 37 2 . 1 . . 35.944 . 1 1 1 29 CYS CB . . . . . . 87 . 18729 2 >> 37 3 . 1 . . 125.117 . 1 1 1 29 CYS N . . . . . . 62 . 18729 2 >> 38 1 . 1 . . 8.993 . 1 1 1 29 CYS H . . . . . . 61 . 18729 2 >> 38 2 . 1 . . 54.715 . 1 1 1 28 GLU CA . . . . . . 89 . 18729 2 >> 38 3 . 1 . . 125.130 . 1 1 1 29 CYS N . . . . . . 62 . 18729 2 >> 39 1 . 1 . . 7.877 . 1 1 1 28 GLU H . . . . . . 22 . 18729 2 >> 39 2 . 1 . . 33.806 . 1 1 1 28 GLU CB . . . . . . 90 . 18729 2 >> 39 3 . 1 . . 121.321 . 1 1 1 28 GLU N . . . . . . 23 . 18729 2 >> 40 1 . 1 . . 7.877 . 1 1 1 28 GLU H . . . . . . 22 . 18729 2 >> 40 2 . 1 . . 54.748 . 1 1 1 28 GLU CA . . . . . . 89 . 18729 2 >> 40 3 . 1 . . 121.298 . 1 1 1 28 GLU N . . . . . . 23 . 18729 2 >> 41 1 . 1 . . 7.876 . 1 1 1 28 GLU H . . . . . . 22 . 18729 2 >> 41 2 . 1 . . 57.420 . 1 1 1 27 ASN CA . . . . . . 91 . 18729 2 >> 41 3 . 1 . . 121.182 . 1 1 1 28 GLU N . . . . . . 23 . 18729 2 >> 42 1 . 1 . . 8.369 . 1 1 1 27 ASN H . . . . . . 1 . 18729 2 >> 42 2 . 1 . . 37.880 . 1 1 1 27 ASN CB . . . . . . 92 . 18729 2 >> 42 3 . 2 . . 106.117 . 1 1 1 27 ASN N . . . . . . 2 . 18729 2 >> 43 1 . 1 . . 8.371 . 1 1 1 27 ASN H . . . . . . 1 . 18729 2 >> 43 2 . 1 . . 57.514 . 1 1 1 27 ASN CA . . . . . . 91 . 18729 2 >> 43 3 . 1 . . 106.085 . 1 1 1 27 ASN N . . . . . . 2 . 18729 2 >> 44 1 . 1 . . 8.992 . 1 1 1 29 CYS H . . . . . . 61 . 18729 2 >> 44 2 . 1 . . 33.708 . 1 1 1 28 GLU CB . . . . . . 90 . 18729 2 >> 44 3 . 1 . . 125.081 . 1 1 1 29 CYS N . . . . . . 62 . 18729 2 >> 45 1 . 1 . . 8.705 . 1 1 1 6 ASN H . . . . . . 63 . 18729 2 >> 45 2 . 1 . . 37.410 . 1 1 1 6 ASN CB . . . . . . 70 . 18729 2 >> 45 3 . 1 . . 119.307 . 1 1 1 6 ASN N . . . . . . 64 . 18729 2 >> 46 1 . 1 . . 8.705 . 1 1 1 6 ASN H . . . . . . 63 . 18729 2 >> 46 2 . 1 . . 54.252 . 1 1 1 6 ASN CA . . . . . . 69 . 18729 2 >> 46 3 . 1 . . 119.320 . 1 1 1 6 ASN N . . . . . . 64 . 18729 2 >> 47 1 . 1 . . 9.562 . 1 1 1 7 GLY H . . . . . . 50 . 18729 2 >> 47 2 . 1 . . 37.328 . 1 1 1 6 ASN CB . . . . . . 70 . 18729 2 >> 47 3 . 1 . . 113.188 . 1 1 1 7 GLY N . . . . . . 51 . 18729 2 >> 48 1 . 1 . . 9.561 . 1 1 1 7 GLY H . . . . . . 50 . 18729 2 >> 48 2 . 1 . . 54.290 . 1 1 1 6 ASN CA . . . . . . 69 . 18729 2 >> 48 3 . 1 . . 113.127 . 1 1 1 7 GLY N . . . . . . 51 . 18729 2 >> 49 1 . 1 . . 8.703 . 1 1 1 6 ASN H . . . . . . 63 . 18729 2 >> 49 2 . 1 . . 30.496 . 1 1 1 5 GLU CB . . . . . . 97 . 18729 2 >> 49 3 . 1 . . 119.399 . 1 1 1 6 ASN N . . . . . . 64 . 18729 2 >> 50 1 . 1 . . 8.705 . 1 1 1 6 ASN H . . . . . . 63 . 18729 2 >> 50 2 . 1 . . 56.163 . 1 1 1 5 GLU CA . . . . . . 96 . 18729 2 >> 50 3 . 1 . . 119.323 . 1 1 1 6 ASN N . . . . . . 64 . 18729 2 >> 51 1 . 1 . . 9.563 . 1 1 1 7 GLY H . . . . . . 50 . 18729 2 >> 51 2 . 1 . . 44.718 . 1 1 1 7 GLY CA . . . . . . 95 . 18729 2 >> 51 3 . 1 . . 113.175 . 1 1 1 7 GLY N . . . . . . 51 . 18729 2 >> 52 1 . 1 . . 8.992 . 1 1 1 5 GLU H . . . . . . 5 . 18729 2 >> 52 2 . 1 . . 30.412 . 1 1 1 5 GLU CB . . . . . . 97 . 18729 2 >> 52 3 . 1 . . 129.874 . 1 1 1 5 GLU N . . . . . . 6 . 18729 2 >> 53 1 . 1 . . 8.992 . 1 1 1 5 GLU H . . . . . . 5 . 18729 2 >> 53 2 . 1 . . 56.191 . 1 1 1 5 GLU CA . . . . . . 96 . 18729 2 >> 53 3 . 1 . . 129.841 . 1 1 1 5 GLU N . . . . . . 6 . 18729 2 >> 54 1 . 1 . . 10.609 . 1 1 1 24 CYS H . . . . . . 40 . 18729 2 >> 54 2 . 1 . . 56.809 . 1 1 1 24 CYS CA . . . . . . 100 . 18729 2 >> 54 3 . 1 . . 127.192 . 1 1 1 24 CYS N . . . . . . 41 . 18729 2 >> 55 1 . 1 . . 10.608 . 1 1 1 24 CYS H . . . . . . 40 . 18729 2 >> 55 2 . 1 . . 54.235 . 1 1 1 23 ARG CA . . . . . . 102 . 18729 2 >> 55 3 . 1 . . 127.279 . 1 1 1 24 CYS N . . . . . . 41 . 18729 2 >> 56 1 . 1 . . 9.148 . 1 1 1 23 ARG H . . . . . . 52 . 18729 2 >> 56 2 . 1 . . 54.351 . 1 1 1 23 ARG CA . . . . . . 102 . 18729 2 >> 56 3 . 1 . . 125.338 . 1 1 1 23 ARG N . . . . . . 53 . 18729 2 >> 57 1 . 1 . . 9.150 . 1 1 1 23 ARG H . . . . . . 52 . 18729 2 >> 57 2 . 1 . . 34.408 . 1 1 1 23 ARG CB . . . . . . 101 . 18729 2 >> 57 3 . 1 . . 125.298 . 1 1 1 23 ARG N . . . . . . 53 . 18729 2 >> 58 1 . 1 . . 9.147 . 1 1 1 23 ARG H . . . . . . 52 . 18729 2 >> 58 2 . 1 . . 44.749 . 1 1 1 22 GLY CA . . . . . . 72 . 18729 2 >> 58 3 . 1 . . 125.392 . 1 1 1 23 ARG N . . . . . . 53 . 18729 2 >> 59 1 . 1 . . 10.611 . 1 1 1 24 CYS H . . . . . . 40 . 18729 2 >> 59 2 . 1 . . 39.162 . 1 1 1 24 CYS CB . . . . . . 103 . 18729 2 >> 59 3 . 1 . . 127.185 . 1 1 1 24 CYS N . . . . . . 41 . 18729 2 >> 60 1 . 1 . . 8.766 . 1 1 1 25 ILE H . . . . . . 12 . 18729 2 >> 60 2 . 1 . . 39.570 . 1 1 1 25 ILE CB . . . . . . 104 . 18729 2 >> 60 3 . 1 . . 132.516 . 1 1 1 25 ILE N . . . . . . 13 . 18729 2 >> 61 1 . 1 . . 8.766 . 1 1 1 25 ILE H . . . . . . 12 . 18729 2 >> 61 2 . 1 . . 60.371 . 1 1 1 25 ILE CA . . . . . . 105 . 18729 2 >> 61 3 . 1 . . 132.526 . 1 1 1 25 ILE N . . . . . . 13 . 18729 2 >> 62 1 . 1 . . 8.767 . 1 1 1 25 ILE H . . . . . . 12 . 18729 2 >> 62 2 . 1 . . 56.841 . 1 1 1 24 CYS CA . . . . . . 100 . 18729 2 >> 62 3 . 1 . . 132.523 . 1 1 1 25 ILE N . . . . . . 13 . 18729 2 >> 63 1 . 1 . . 8.433 . 1 1 1 9 PHE H . . . . . . 36 . 18729 2 >> 63 2 . 1 . . 58.642 . 1 1 1 9 PHE CA . . . . . . 106 . 18729 2 >> 63 3 . 1 . . 120.646 . 1 1 1 9 PHE N . . . . . . 37 . 18729 2 >> 64 1 . 1 . . 8.433 . 1 1 1 9 PHE H . . . . . . 36 . 18729 2 >> 64 2 . 1 . . 39.676 . 1 1 1 9 PHE CB . . . . . . 107 . 18729 2 >> 64 3 . 1 . . 120.659 . 1 1 1 9 PHE N . . . . . . 37 . 18729 2 >> 65 1 . 1 . . 8.434 . 1 1 1 9 PHE H . . . . . . 36 . 18729 2 >> 65 2 . 1 . . 44.596 . 1 1 1 8 GLY CA . . . . . . 110 . 18729 2 >> 65 3 . 1 . . 120.637 . 1 1 1 9 PHE N . . . . . . 37 . 18729 2 >> 66 1 . 1 . . 6.943 . 1 1 1 10 CYS H . . . . . . 9 . 18729 2 >> 66 2 . 1 . . 50.173 . 1 1 1 10 CYS CA . . . . . . 109 . 18729 2 >> 66 3 . 1 . . 122.538 . 1 1 1 10 CYS N . . . . . . 10 . 18729 2 >> 67 1 . 1 . . 6.941 . 1 1 1 10 CYS H . . . . . . 9 . 18729 2 >> 67 2 . 1 . . 46.729 . 1 1 1 10 CYS CB . . . . . . 108 . 18729 2 >> 67 3 . 1 . . 122.564 . 1 1 1 10 CYS N . . . . . . 10 . 18729 2 >> 68 1 . 1 . . 6.948 . 1 1 1 10 CYS H . . . . . . 9 . 18729 2 >> 68 2 . 1 . . 58.547 . 1 1 1 9 PHE CA . . . . . . 106 . 18729 2 >> 68 3 . 1 . . 122.540 . 1 1 1 10 CYS N . . . . . . 10 . 18729 2 >> 69 1 . 1 . . 8.808 . 1 1 1 4 VAL H . . . . . . 42 . 18729 2 >> 69 2 . 2 . . 64.513 . 1 1 1 4 VAL CA . . . . . . 98 . 18729 2 >> 69 3 . 1 . . 121.902 . 1 1 1 4 VAL N . . . . . . 43 . 18729 2 >> 70 1 . 1 . . 8.807 . 1 1 1 4 VAL H . . . . . . 42 . 18729 2 >> 70 2 . 1 . . 54.114 . 1 1 1 3 CYS CA . . . . . . 111 . 18729 2 >> 70 3 . 1 . . 121.903 . 1 1 1 4 VAL N . . . . . . 43 . 18729 2 >> 71 1 . 1 . . 8.806 . 1 1 1 4 VAL H . . . . . . 42 . 18729 2 >> 71 2 . 1 . . 41.511 . 1 1 1 3 CYS CB . . . . . . 112 . 18729 2 >> 71 3 . 1 . . 121.899 . 1 1 1 4 VAL N . . . . . . 43 . 18729 2 >> 72 1 . 1 . . 8.244 . 1 1 1 3 CYS H . . . . . . 54 . 18729 2 >> 72 2 . 1 . . 54.185 . 1 1 1 3 CYS CA . . . . . . 111 . 18729 2 >> 72 3 . 1 . . 117.981 . 1 1 1 3 CYS N . . . . . . 55 . 18729 2 >> 73 1 . 1 . . 8.243 . 1 1 1 3 CYS H . . . . . . 54 . 18729 2 >> 73 2 . 1 . . 41.540 . 1 1 1 3 CYS CB . . . . . . 112 . 18729 2 >> 73 3 . 1 . . 117.998 . 1 1 1 3 CYS N . . . . . . 55 . 18729 2 >> 74 1 . 1 . . 7.932 . 1 1 1 16 MET H . . . . . . 38 . 18729 2 >> 74 2 . 2 . . 55.132 . 1 1 1 16 MET CA . . . . . . 83 . 18729 2 >> 74 3 . 1 . . 114.946 . 1 1 1 16 MET N . . . . . . 39 . 18729 2 >> 75 1 . 1 . . 7.931 . 1 1 1 16 MET H . . . . . . 38 . 18729 2 >> 75 2 . 1 . . 57.433 . 1 1 1 15 LYS CA . . . . . . 113 . 18729 2 >> 75 3 . 1 . . 115.033 . 1 1 1 16 MET N . . . . . . 39 . 18729 2 >> 76 1 . 1 . . 7.928 . 1 1 1 16 MET H . . . . . . 38 . 18729 2 >> 76 2 . 1 . . 33.835 . 1 1 1 16 MET CB . . . . . . 82 . 18729 2 >> 76 3 . 1 . . 114.940 . 1 1 1 16 MET N . . . . . . 39 . 18729 2 >> 77 1 . 1 . . 7.460 . 1 1 1 15 LYS H . . . . . . 18 . 18729 2 >> 77 2 . 1 . . 57.342 . 1 1 1 15 LYS CA . . . . . . 113 . 18729 2 >> 77 3 . 1 . . 116.329 . 1 1 1 15 LYS N . . . . . . 19 . 18729 2 >> 78 1 . 1 . . 7.458 . 1 1 1 15 LYS H . . . . . . 18 . 18729 2 >> 78 2 . 1 . . 58.673 . 1 1 1 14 GLU CA . . . . . . 115 . 18729 2 >> 78 3 . 1 . . 116.281 . 1 1 1 15 LYS N . . . . . . 19 . 18729 2 >> 79 1 . 1 . . 8.741 . 1 1 1 14 GLU H . . . . . . 48 . 18729 2 >> 79 2 . 1 . . 28.788 . 1 1 1 14 GLU CB . . . . . . 114 . 18729 2 >> 79 3 . 1 . . 119.951 . 1 1 1 14 GLU N . . . . . . 49 . 18729 2 >> 80 1 . 1 . . 8.741 . 1 1 1 14 GLU H . . . . . . 48 . 18729 2 >> 80 2 . 1 . . 58.822 . 1 1 1 14 GLU CA . . . . . . 115 . 18729 2 >> 80 3 . 1 . . 119.925 . 1 1 1 14 GLU N . . . . . . 49 . 18729 2 >> 81 1 . 1 . . 8.739 . 1 1 1 14 GLU H . . . . . . 48 . 18729 2 >> 81 2 . 1 . . 31.742 . 1 1 1 13 PRO CB . . . . . . 117 . 18729 2 >> 81 3 . 1 . . 119.870 . 1 1 1 14 GLU N . . . . . . 49 . 18729 2 >> 82 1 . 1 . . 8.123 . 1 1 1 12 ASP H . . . . . . 14 . 18729 2 >> 82 2 . 1 . . 52.527 . 1 1 1 12 ASP CA . . . . . . 119 . 18729 2 >> 82 3 . 1 . . 117.039 . 1 1 1 12 ASP N . . . . . . 15 . 18729 2 >> 83 1 . 1 . . 8.122 . 1 1 1 12 ASP H . . . . . . 14 . 18729 2 >> 83 2 . 1 . . 40.912 . 1 1 1 12 ASP CB . . . . . . 118 . 18729 2 >> 83 3 . 1 . . 117.103 . 1 1 1 12 ASP N . . . . . . 15 . 18729 2 >> 84 1 . 1 . . 8.124 . 1 1 1 12 ASP H . . . . . . 14 . 18729 2 >> 84 2 . 1 . . 60.784 . 1 1 1 11 PRO CA . . . . . . 120 . 18729 2 >> 84 3 . 1 . . 117.150 . 1 1 1 12 ASP N . . . . . . 15 . 18729 2 >> 85 1 . 1 . . 7.993 . 1 1 1 27 ASN HD22 . . . . . . 34 . 18729 2 >> 85 2 . 1 . . 37.765 . 1 1 1 27 ASN CB . . . . . . 92 . 18729 2 >> 85 3 . 1 . . 108.080 . 1 1 1 27 ASN ND2 . . . . . . 35 . 18729 2 >> 86 1 . 1 . . 8.241 . 1 1 1 3 CYS H . . . . . . 54 . 18729 2 >> 86 2 . 1 . . 30.019 . 1 1 1 2 GLU CB . . . . . . 152 . 18729 2 >> 86 3 . 1 . . 117.982 . 1 1 1 3 CYS N . . . . . . 55 . 18729 2 >> 87 1 . 1 . . 8.241 . 1 1 1 3 CYS H . . . . . . 54 . 18729 2 >> 87 2 . 1 . . 56.347 . 1 1 1 2 GLU CA . . . . . . 153 . 18729 2 >> 87 3 . 1 . . 118.129 . 1 1 1 3 CYS N . . . . . . 55 . 18729 2 >> 88 1 . 1 . . 8.993 . 1 1 1 5 GLU H . . . . . . 5 . 18729 2 >> 88 2 . 1 . . 64.517 . 1 1 1 4 VAL CA . . . . . . 98 . 18729 2 >> 88 3 . 1 . . 129.835 . 1 1 1 5 GLU N . . . . . . 6 . 18729 2 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label 'HNcoCACB (H[N[co[{CA|ca[C]}]]])' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 C 13C 3 N 15N stop_ _Sample_label $13C_15N _Sample_conditions_label $Standard _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3 >> _Spectral_peak_list.Entry_ID 18729 >> _Spectral_peak_list.ID 3 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $13C_15N >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Standard >> _Spectral_peak_list.Experiment_ID 3 >> _Spectral_peak_list.Experiment_name 'HNcoCACB (H[N[co[{CA|ca[C]}]]])' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . 2968.75000000 . . . 18729 3 >> 2 C 13 13C . 10000.00000000 . . . 18729 3 >> 3 N 15 15N . 2129.24518258 . . . 18729 3 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18729 3 >> 2 1.0 . 18729 3 >> 3 1.0 . 18729 3 >> 4 1.0 . 18729 3 >> 5 1.0 . 18729 3 >> 6 1.0 . 18729 3 >> 7 1.0 . 18729 3 >> 8 1.0 . 18729 3 >> 9 1.0 . 18729 3 >> 10 1.0 . 18729 3 >> 11 1.0 . 18729 3 >> 12 1.0 . 18729 3 >> 13 1.0 . 18729 3 >> 14 1.0 . 18729 3 >> 15 1.0 . 18729 3 >> 16 1.0 . 18729 3 >> 17 1.0 . 18729 3 >> 18 1.0 . 18729 3 >> 19 1.0 . 18729 3 >> 20 1.0 . 18729 3 >> 21 1.0 . 18729 3 >> 22 1.0 . 18729 3 >> 23 1.0 . 18729 3 >> 24 1.0 . 18729 3 >> 25 1.0 . 18729 3 >> 26 1.0 . 18729 3 >> 27 1.0 . 18729 3 >> 28 1.0 . 18729 3 >> 29 1.0 . 18729 3 >> 30 1.0 . 18729 3 >> 31 1.0 . 18729 3 >> 32 1.0 . 18729 3 >> 33 1.0 . 18729 3 >> 34 1.0 . 18729 3 >> 35 1.0 . 18729 3 >> 36 1.0 . 18729 3 >> 37 1.0 . 18729 3 >> 38 1.0 . 18729 3 >> 39 1.0 . 18729 3 >> 40 1.0 . 18729 3 >> 41 1.0 . 18729 3 >> 42 1.0 . 18729 3 >> 43 1.0 . 18729 3 >> 44 1.0 . 18729 3 >> 45 1.0 . 18729 3 >> 46 1.0 . 18729 3 >> 47 1.0 . 18729 3 >> 48 1.0 . 18729 3 >> 49 1.0 . 18729 3 >> 50 1.0 . 18729 3 >> 51 1.0 . 18729 3 >> 52 1.0 . 18729 3 >> 53 1.0 . 18729 3 >> 54 1.0 . 18729 3 >> 55 1.0 . 18729 3 >> 56 1.0 . 18729 3 >> 57 1.0 . 18729 3 >> 58 1.0 . 18729 3 >> 59 1.0 . 18729 3 >> 60 1.0 . 18729 3 >> 61 1.0 . 18729 3 >> 62 1.0 . 18729 3 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 -224331.2812500 . height 18729 3 >> 1 -5219623.0781200 . volume 18729 3 >> 2 -175830.3593750 . height 18729 3 >> 2 -4103724.5625000 . volume 18729 3 >> 3 136984.9531250 . height 18729 3 >> 3 3161990.8203100 . volume 18729 3 >> 4 85511.6796875 . height 18729 3 >> 4 1996398.9023400 . volume 18729 3 >> 5 197004.0312500 . height 18729 3 >> 5 4814948.9531200 . volume 18729 3 >> 6 175507.7656250 . height 18729 3 >> 6 4200080.0234400 . volume 18729 3 >> 7 -281104.1562500 . height 18729 3 >> 7 -6641785.4843800 . volume 18729 3 >> 8 -254610.8125000 . height 18729 3 >> 8 -6056726.4375000 . volume 18729 3 >> 9 195275.0312500 . height 18729 3 >> 9 4464093.0078100 . volume 18729 3 >> 10 -193016.0156250 . height 18729 3 >> 10 -4489084.9609400 . volume 18729 3 >> 11 194782.6250000 . height 18729 3 >> 11 4505676.2968800 . volume 18729 3 >> 12 -206964.4375000 . height 18729 3 >> 12 -4773868.8125000 . volume 18729 3 >> 13 160991.1562500 . height 18729 3 >> 13 3746133.9921900 . volume 18729 3 >> 14 -213213.1093750 . height 18729 3 >> 14 -4955078.4531200 . volume 18729 3 >> 15 96269.0390625 . height 18729 3 >> 15 2254239.0468800 . volume 18729 3 >> 16 -138628.7187500 . height 18729 3 >> 16 -3205158.4921900 . volume 18729 3 >> 17 327727.8125000 . height 18729 3 >> 17 7691196.3593800 . volume 18729 3 >> 18 198666.3437500 . height 18729 3 >> 18 4630883.3906200 . volume 18729 3 >> 19 -146659.9375000 . height 18729 3 >> 19 -3465958.5781200 . volume 18729 3 >> 20 421941.8125000 . height 18729 3 >> 20 9693989.8125000 . volume 18729 3 >> 21 228962.1562500 . height 18729 3 >> 21 5357177.5156200 . volume 18729 3 >> 22 -307943.7812500 . height 18729 3 >> 22 -7113500.0000000 . volume 18729 3 >> 23 186726.9531250 . height 18729 3 >> 23 4268200.8359400 . volume 18729 3 >> 24 -155834.4843750 . height 18729 3 >> 24 -3646385.2109400 . volume 18729 3 >> 25 159588.3437500 . height 18729 3 >> 25 3721005.1015600 . volume 18729 3 >> 26 -261904.5781250 . height 18729 3 >> 26 -6090393.4218800 . volume 18729 3 >> 27 224659.8281250 . height 18729 3 >> 27 5239248.2500000 . volume 18729 3 >> 28 -226430.0312500 . height 18729 3 >> 28 -5244333.1718800 . volume 18729 3 >> 29 223817.8125000 . height 18729 3 >> 29 5205214.1093800 . volume 18729 3 >> 30 -292559.1562500 . height 18729 3 >> 30 -6865355.5312500 . volume 18729 3 >> 31 -141429.0156250 . height 18729 3 >> 31 -3331676.2812500 . volume 18729 3 >> 32 137687.3437500 . height 18729 3 >> 32 3084698.3515600 . volume 18729 3 >> 33 -264092.4687500 . height 18729 3 >> 33 -6132474.5468800 . volume 18729 3 >> 34 199824.0625000 . height 18729 3 >> 34 4682180.8750000 . volume 18729 3 >> 35 -206598.7500000 . height 18729 3 >> 35 -4836114.4687500 . volume 18729 3 >> 36 255522.2187500 . height 18729 3 >> 36 5941420.9218800 . volume 18729 3 >> 37 248968.3906250 . height 18729 3 >> 37 5625796.4218800 . volume 18729 3 >> 38 -227023.4218750 . height 18729 3 >> 38 -5238655.2187500 . volume 18729 3 >> 39 110650.2031250 . height 18729 3 >> 39 2621345.9687500 . volume 18729 3 >> 40 -126984.5000000 . height 18729 3 >> 40 -2941462.9062500 . volume 18729 3 >> 41 384476.3125000 . height 18729 3 >> 41 9004262.2187500 . volume 18729 3 >> 42 191232.6562500 . height 18729 3 >> 42 4383532.6406200 . volume 18729 3 >> 43 -272504.7812500 . height 18729 3 >> 43 -6317051.9843800 . volume 18729 3 >> 44 -116545.0781250 . height 18729 3 >> 44 -2677689.8984400 . volume 18729 3 >> 45 137823.9062500 . height 18729 3 >> 45 3182400.5234400 . volume 18729 3 >> 46 385298.5625000 . height 18729 3 >> 46 8857347.6406200 . volume 18729 3 >> 47 -115067.1328120 . height 18729 3 >> 47 -2688484.7734400 . volume 18729 3 >> 48 99353.0312500 . height 18729 3 >> 48 2315184.4609400 . volume 18729 3 >> 49 235551.0937500 . height 18729 3 >> 49 5465469.3906200 . volume 18729 3 >> 50 -237820.7500000 . height 18729 3 >> 50 -5589703.7812500 . volume 18729 3 >> 51 194916.4531250 . height 18729 3 >> 51 4561323.6562500 . volume 18729 3 >> 52 -177776.0312500 . height 18729 3 >> 52 -4140141.7656200 . volume 18729 3 >> 53 238292.8750000 . height 18729 3 >> 53 5430360.7187500 . volume 18729 3 >> 54 -221494.1562500 . height 18729 3 >> 54 -5193183.0781200 . volume 18729 3 >> 55 -199336.0781250 . height 18729 3 >> 55 -4608490.8281200 . volume 18729 3 >> 56 233343.1562500 . height 18729 3 >> 56 5346739.8750000 . volume 18729 3 >> 57 -190874.8125000 . height 18729 3 >> 57 -4409315.9375000 . volume 18729 3 >> 58 259139.0468750 . height 18729 3 >> 58 6006578.5000000 . volume 18729 3 >> 59 -97373.5546875 . height 18729 3 >> 59 -2191988.2187500 . volume 18729 3 >> 60 -81980.1640625 . height 18729 3 >> 60 -1947239.6054700 . volume 18729 3 >> 61 -377764.4687500 . height 18729 3 >> 61 -8752185.5625000 . volume 18729 3 >> 62 346387.3125000 . height 18729 3 >> 62 8074126.2187500 . volume 18729 3 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 7.616 . 26.4360010624 . . . . . . . . . . 1 18729 3 >> 1 2 54.231 . 167.9635047910 . . . . . . . . . . 1 18729 3 >> 1 3 111.403 . 45.1193137074 . . . . . . . . . . 1 18729 3 >> 2 1 7.035 . 30.2539765835 . . . . . . . . . . 1 18729 3 >> 2 2 54.198 . 171.6345548630 . . . . . . . . . . 1 18729 3 >> 2 3 111.442 . 41.1842522448 . . . . . . . . . . 1 18729 3 >> 3 1 7.618 . 24.9552726746 . . . . . . . . . . 1 18729 3 >> 3 2 37.230 . 169.5102453230 . . . . . . . . . . 1 18729 3 >> 3 3 111.442 . 42.6851242327 . . . . . . . . . . 1 18729 3 >> 4 1 7.035 . 26.6310572624 . . . . . . . . . . 1 18729 3 >> 4 2 37.202 . 192.4270391460 . . . . . . . . . . 1 18729 3 >> 4 3 111.487 . 40.8993327781 . . . . . . . . . . 1 18729 3 >> 5 1 7.016 . 34.9242985249 . . . . . . . . . . 1 18729 3 >> 5 2 38.193 . 197.5756883620 . . . . . . . . . . 1 18729 3 >> 5 3 112.833 . 53.9659045063 . . . . . . . . . . 1 18729 3 >> 6 1 7.640 . 62.5741481781 . . . . . . . . . . 1 18729 3 >> 6 2 38.134 . 320.8959102630 . . . . . . . . . . 1 18729 3 >> 6 3 112.778 . 45.1603065750 . . . . . . . . . . 1 18729 3 >> 7 1 7.641 . 31.3128530979 . . . . . . . . . . 1 18729 3 >> 7 2 54.807 . 190.7432079320 . . . . . . . . . . 1 18729 3 >> 7 3 112.791 . 46.8208349945 . . . . . . . . . . 1 18729 3 >> 8 1 7.020 . 27.3019075394 . . . . . . . . . . 1 18729 3 >> 8 2 54.839 . 322.8428959850 . . . . . . . . . . 1 18729 3 >> 8 3 112.780 . 52.8992015587 . . . . . . . . . . 1 18729 3 >> 9 1 8.875 . 27.9895961285 . . . . . . . . . . 1 18729 3 >> 9 2 57.023 . 160.9390974040 . . . . . . . . . . 1 18729 3 >> 9 3 109.365 . 38.1341544531 . . . . . . . . . . 1 18729 3 >> 10 1 8.876 . 27.6102125645 . . . . . . . . . . 1 18729 3 >> 10 2 38.647 . 158.1740379330 . . . . . . . . . . 1 18729 3 >> 10 3 109.360 . 43.7782250641 . . . . . . . . . . 1 18729 3 >> 11 1 9.256 . 26.2095779181 . . . . . . . . . . 1 18729 3 >> 11 2 55.342 . 143.1831717490 . . . . . . . . . . 1 18729 3 >> 11 3 122.632 . 46.3082972368 . . . . . . . . . . 1 18729 3 >> 12 1 9.256 . 26.4156609774 . . . . . . . . . . 1 18729 3 >> 12 2 36.560 . 161.1638069150 . . . . . . . . . . 1 18729 3 >> 12 3 122.626 . 42.5331460317 . . . . . . . . . . 1 18729 3 >> 13 1 9.442 . 26.1073559523 . . . . . . . . . . 1 18729 3 >> 13 2 55.754 . 162.3210310940 . . . . . . . . . . 1 18729 3 >> 13 3 120.736 . 44.3265522604 . . . . . . . . . . 1 18729 3 >> 14 1 9.441 . 27.1666049957 . . . . . . . . . . 1 18729 3 >> 14 2 30.019 . 168.2221889500 . . . . . . . . . . 1 18729 3 >> 14 3 120.719 . 43.1501331084 . . . . . . . . . . 1 18729 3 >> 15 1 8.222 . 27.0053744316 . . . . . . . . . . 1 18729 3 >> 15 2 53.610 . 166.9326424600 . . . . . . . . . . 1 18729 3 >> 15 3 126.898 . 45.0585224270 . . . . . . . . . . 1 18729 3 >> 16 1 8.219 . 25.2865254879 . . . . . . . . . . 1 18729 3 >> 16 2 41.842 . 169.1114902500 . . . . . . . . . . 1 18729 3 >> 16 3 126.869 . 42.9086178544 . . . . . . . . . . 1 18729 3 >> 17 1 8.603 . 27.8443098068 . . . . . . . . . . 1 18729 3 >> 17 2 44.354 . 160.3227853780 . . . . . . . . . . 1 18729 3 >> 17 3 119.854 . 45.7293840309 . . . . . . . . . . 1 18729 3 >> 18 1 7.660 . 28.0903279781 . . . . . . . . . . 1 18729 3 >> 18 2 54.939 . 155.5508375170 . . . . . . . . . . 1 18729 3 >> 18 3 109.258 . 42.2720227343 . . . . . . . . . . 1 18729 3 >> 19 1 7.659 . 30.3857028484 . . . . . . . . . . 1 18729 3 >> 19 2 33.780 . 178.6559820180 . . . . . . . . . . 1 18729 3 >> 19 3 109.268 . 46.5562215923 . . . . . . . . . . 1 18729 3 >> 20 1 8.322 . 28.1879305840 . . . . . . . . . . 1 18729 3 >> 20 2 44.644 . 154.0362834930 . . . . . . . . . . 1 18729 3 >> 20 3 108.190 . 40.4934653152 . . . . . . . . . . 1 18729 3 >> 21 1 8.418 . 30.2250683308 . . . . . . . . . . 1 18729 3 >> 21 2 54.758 . 170.3858375550 . . . . . . . . . . 1 18729 3 >> 21 3 114.584 . 40.9998477971 . . . . . . . . . . 1 18729 3 >> 22 1 8.418 . 27.1104276180 . . . . . . . . . . 1 18729 3 >> 22 2 38.139 . 172.6746559140 . . . . . . . . . . 1 18729 3 >> 22 3 114.584 . 40.8890528330 . . . . . . . . . . 1 18729 3 >> 23 1 8.690 . 25.5124270916 . . . . . . . . . . 1 18729 3 >> 23 2 53.919 . 158.8657498360 . . . . . . . . . . 1 18729 3 >> 23 3 115.698 . 41.2753757090 . . . . . . . . . . 1 18729 3 >> 24 1 8.693 . 28.0292332172 . . . . . . . . . . 1 18729 3 >> 24 2 34.190 . 172.5983619690 . . . . . . . . . . 1 18729 3 >> 24 3 115.739 . 43.8090648994 . . . . . . . . . . 1 18729 3 >> 25 1 9.612 . 25.9689241648 . . . . . . . . . . 1 18729 3 >> 25 2 53.500 . 165.4419302940 . . . . . . . . . . 1 18729 3 >> 25 3 125.091 . 42.5074461689 . . . . . . . . . . 1 18729 3 >> 26 1 9.611 . 27.1246582270 . . . . . . . . . . 1 18729 3 >> 26 2 35.905 . 172.7950572970 . . . . . . . . . . 1 18729 3 >> 26 3 125.132 . 41.7266779911 . . . . . . . . . . 1 18729 3 >> 27 1 8.986 . 25.0769406557 . . . . . . . . . . 1 18729 3 >> 27 2 54.673 . 162.9453897480 . . . . . . . . . . 1 18729 3 >> 27 3 125.058 . 48.1225171816 . . . . . . . . . . 1 18729 3 >> 28 1 8.986 . 26.4762341976 . . . . . . . . . . 1 18729 3 >> 28 2 33.723 . 165.9595966340 . . . . . . . . . . 1 18729 3 >> 28 3 125.073 . 42.8750493917 . . . . . . . . . . 1 18729 3 >> 29 1 7.870 . 27.6912748814 . . . . . . . . . . 1 18729 3 >> 29 2 57.287 . 149.4449377060 . . . . . . . . . . 1 18729 3 >> 29 3 121.228 . 43.7550634593 . . . . . . . . . . 1 18729 3 >> 30 1 7.871 . 27.8815627098 . . . . . . . . . . 1 18729 3 >> 30 2 37.821 . 170.2433824540 . . . . . . . . . . 1 18729 3 >> 30 3 121.234 . 43.7871089673 . . . . . . . . . . 1 18729 3 >> 31 1 8.367 . 27.1801650524 . . . . . . . . . . 1 18729 3 >> 31 2 27.429 . 180.2402734760 . . . . . . . . . . 1 18729 3 >> 31 3 106.078 . 45.7755803275 . . . . . . . . . . 1 18729 3 >> 32 1 8.369 . 23.2879817486 . . . . . . . . . . 1 18729 3 >> 32 2 57.538 . 154.0845632550 . . . . . . . . . . 1 18729 3 >> 32 3 106.081 . 38.3144976879 . . . . . . . . . . 1 18729 3 >> 33 1 9.558 . 26.8902629614 . . . . . . . . . . 1 18729 3 >> 33 2 37.290 . 162.6509428020 . . . . . . . . . . 1 18729 3 >> 33 3 113.143 . 43.1544481471 . . . . . . . . . . 1 18729 3 >> 34 1 9.558 . 25.1963734627 . . . . . . . . . . 1 18729 3 >> 34 2 54.117 . 162.0993018150 . . . . . . . . . . 1 18729 3 >> 34 3 113.077 . 48.0558244512 . . . . . . . . . . 1 18729 3 >> 35 1 8.703 . 25.6764888763 . . . . . . . . . . 1 18729 3 >> 35 2 30.361 . 164.0933752060 . . . . . . . . . . 1 18729 3 >> 35 3 119.214 . 48.2821101568 . . . . . . . . . . 1 18729 3 >> 36 1 8.703 . 24.9604880810 . . . . . . . . . . 1 18729 3 >> 36 2 56.050 . 153.7215709690 . . . . . . . . . . 1 18729 3 >> 36 3 119.312 . 47.7282622492 . . . . . . . . . . 1 18729 3 >> 37 1 8.988 . 25.3806263208 . . . . . . . . . . 1 18729 3 >> 37 2 64.434 . 156.1169326310 . . . . . . . . . . 1 18729 3 >> 37 3 129.794 . 38.4719331437 . . . . . . . . . . 1 18729 3 >> 38 1 8.990 . 25.2110511065 . . . . . . . . . . 1 18729 3 >> 38 2 32.170 . 178.1994104390 . . . . . . . . . . 1 18729 3 >> 38 3 129.790 . 42.8606130490 . . . . . . . . . . 1 18729 3 >> 39 1 10.604 . 29.1241146624 . . . . . . . . . . 1 18729 3 >> 39 2 54.213 . 151.6970992090 . . . . . . . . . . 1 18729 3 >> 39 3 127.182 . 50.3575168554 . . . . . . . . . . 1 18729 3 >> 40 1 10.604 . 30.9245288372 . . . . . . . . . . 1 18729 3 >> 40 2 34.340 . 157.3896408080 . . . . . . . . . . 1 18729 3 >> 40 3 127.161 . 38.4386819632 . . . . . . . . . . 1 18729 3 >> 41 1 9.147 . 26.8745422363 . . . . . . . . . . 1 18729 3 >> 41 2 44.670 . 158.2199335100 . . . . . . . . . . 1 18729 3 >> 41 3 125.357 . 47.6367580463 . . . . . . . . . . 1 18729 3 >> 42 1 8.761 . 27.4485349655 . . . . . . . . . . 1 18729 3 >> 42 2 56.680 . 168.6275005340 . . . . . . . . . . 1 18729 3 >> 42 3 132.512 . 38.8214036856 . . . . . . . . . . 1 18729 3 >> 43 1 8.763 . 27.7936458588 . . . . . . . . . . 1 18729 3 >> 43 2 39.053 . 168.6376333240 . . . . . . . . . . 1 18729 3 >> 43 3 132.469 . 40.4426684258 . . . . . . . . . . 1 18729 3 >> 44 1 9.269 . 28.7173688412 . . . . . . . . . . 1 18729 3 >> 44 2 39.512 . 185.0378513340 . . . . . . . . . . 1 18729 3 >> 44 3 128.830 . 35.3207492250 . . . . . . . . . . 1 18729 3 >> 45 1 9.267 . 30.0224125385 . . . . . . . . . . 1 18729 3 >> 45 2 60.100 . 181.6639304160 . . . . . . . . . . 1 18729 3 >> 45 3 128.815 . 38.4587659301 . . . . . . . . . . 1 18729 3 >> 46 1 8.430 . 26.5644490719 . . . . . . . . . . 1 18729 3 >> 46 2 44.532 . 159.1265201570 . . . . . . . . . . 1 18729 3 >> 46 3 120.604 . 41.5802839578 . . . . . . . . . . 1 18729 3 >> 47 1 6.937 . 26.4969468117 . . . . . . . . . . 1 18729 3 >> 47 2 39.603 . 153.3901691440 . . . . . . . . . . 1 18729 3 >> 47 3 122.498 . 45.7678386404 . . . . . . . . . . 1 18729 3 >> 48 1 6.939 . 27.6221334934 . . . . . . . . . . 1 18729 3 >> 48 2 58.637 . 163.1236076350 . . . . . . . . . . 1 18729 3 >> 48 3 122.544 . 46.2124779952 . . . . . . . . . . 1 18729 3 >> 49 1 8.804 . 28.7190079689 . . . . . . . . . . 1 18729 3 >> 49 2 54.064 . 165.2905344960 . . . . . . . . . . 1 18729 3 >> 49 3 121.890 . 42.8049300129 . . . . . . . . . . 1 18729 3 >> 50 1 8.807 . 29.6194851398 . . . . . . . . . . 1 18729 3 >> 50 2 41.423 . 177.7535676960 . . . . . . . . . . 1 18729 3 >> 50 3 121.932 . 43.9001249072 . . . . . . . . . . 1 18729 3 >> 51 1 7.930 . 27.2122025490 . . . . . . . . . . 1 18729 3 >> 51 2 57.207 . 168.1315898900 . . . . . . . . . . 1 18729 3 >> 51 3 114.959 . 47.5023572823 . . . . . . . . . . 1 18729 3 >> 52 1 7.928 . 27.8446078300 . . . . . . . . . . 1 18729 3 >> 52 2 33.931 . 171.9886064530 . . . . . . . . . . 1 18729 3 >> 52 3 114.856 . 41.5839009756 . . . . . . . . . . 1 18729 3 >> 53 1 7.454 . 27.9790163040 . . . . . . . . . . 1 18729 3 >> 53 2 58.587 . 156.7849516870 . . . . . . . . . . 1 18729 3 >> 53 3 116.267 . 38.9759677370 . . . . . . . . . . 1 18729 3 >> 54 1 7.455 . 28.4019112587 . . . . . . . . . . 1 18729 3 >> 54 2 28.803 . 181.0181140900 . . . . . . . . . . 1 18729 3 >> 54 3 116.263 . 45.6098320765 . . . . . . . . . . 1 18729 3 >> 55 1 8.736 . 25.3711640835 . . . . . . . . . . 1 18729 3 >> 55 2 31.868 . 173.0293035510 . . . . . . . . . . 1 18729 3 >> 55 3 119.884 . 42.3469648033 . . . . . . . . . . 1 18729 3 >> 56 1 8.735 . 23.9315629005 . . . . . . . . . . 1 18729 3 >> 56 2 63.703 . 160.4336500170 . . . . . . . . . . 1 18729 3 >> 56 3 119.884 . 43.1835746582 . . . . . . . . . . 1 18729 3 >> 57 1 8.118 . 24.4702398777 . . . . . . . . . . 1 18729 3 >> 57 2 32.376 . 157.2918891910 . . . . . . . . . . 1 18729 3 >> 57 3 117.086 . 44.6520203995 . . . . . . . . . . 1 18729 3 >> 58 1 8.118 . 25.6069004536 . . . . . . . . . . 1 18729 3 >> 58 2 60.830 . 156.9741964340 . . . . . . . . . . 1 18729 3 >> 58 3 117.061 . 44.3475563458 . . . . . . . . . . 1 18729 3 >> 59 1 7.989 . 23.6393511295 . . . . . . . . . . 1 18729 3 >> 59 2 57.300 . 152.0913839340 . . . . . . . . . . 1 18729 3 >> 59 3 108.043 . 38.7934669828 . . . . . . . . . . 1 18729 3 >> 60 1 6.852 . 34.9912047386 . . . . . . . . . . 1 18729 3 >> 60 2 57.239 . 189.6503567700 . . . . . . . . . . 1 18729 3 >> 60 3 107.948 . 42.7667292292 . . . . . . . . . . 1 18729 3 >> 61 1 8.256 . 26.0841846466 . . . . . . . . . . 1 18729 3 >> 61 2 30.172 . 169.5138216020 . . . . . . . . . . 1 18729 3 >> 61 3 118.051 . 44.1903112593 . . . . . . . . . . 1 18729 3 >> 62 1 8.257 . 26.2573361397 . . . . . . . . . . 1 18729 3 >> 62 2 56.252 . 167.9477095600 . . . . . . . . . . 1 18729 3 >> 62 3 118.094 . 44.8029198408 . . . . . . . . . . 1 18729 3 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 . 1 . . 7.616 . 1 1 1 6 ASN HD21 . . . . . . 7 . 18729 3 >> 1 2 . 1 . . 54.231 . 1 1 1 6 ASN CA . . . . . . 69 . 18729 3 >> 1 3 . 1 . . 111.403 . 1 1 1 6 ASN ND2 . . . . . . 8 . 18729 3 >> 2 1 . 1 . . 7.035 . 1 1 1 6 ASN HD22 . . . . . . 11 . 18729 3 >> 2 2 . 1 . . 54.198 . 1 1 1 6 ASN CA . . . . . . 69 . 18729 3 >> 2 3 . 1 . . 111.442 . 1 1 1 6 ASN ND2 . . . . . . 8 . 18729 3 >> 3 1 . 1 . . 7.618 . 1 1 1 6 ASN HD21 . . . . . . 7 . 18729 3 >> 3 2 . 1 . . 37.230 . 1 1 1 6 ASN CB . . . . . . 70 . 18729 3 >> 3 3 . 1 . . 111.442 . 1 1 1 6 ASN ND2 . . . . . . 8 . 18729 3 >> 4 1 . 1 . . 7.035 . 1 1 1 6 ASN HD22 . . . . . . 11 . 18729 3 >> 4 2 . 1 . . 37.202 . 1 1 1 6 ASN CB . . . . . . 70 . 18729 3 >> 4 3 . 1 . . 111.487 . 1 1 1 6 ASN ND2 . . . . . . 8 . 18729 3 >> 5 1 . 1 . . 7.016 . 1 1 1 31 ASN HD22 . . . . . . 67 . 18729 3 >> 5 2 . 1 . . 38.193 . 1 1 1 31 ASN CB . . . . . . 71 . 18729 3 >> 5 3 . 1 . . 112.833 . 1 1 1 31 ASN ND2 . . . . . . 66 . 18729 3 >> 6 1 . 1 . . 7.640 . 1 1 1 31 ASN HD21 . . . . . . 58 . 18729 3 >> 6 2 . 1 . . 38.134 . 1 1 1 31 ASN CB . . . . . . 71 . 18729 3 >> 6 3 . 1 . . 112.778 . 1 1 1 31 ASN ND2 . . . . . . 66 . 18729 3 >> 7 1 . 1 . . 7.641 . 1 1 1 31 ASN HD21 . . . . . . 58 . 18729 3 >> 7 2 . 1 . . 54.807 . 1 1 1 31 ASN CA . . . . . . 68 . 18729 3 >> 7 3 . 1 . . 112.791 . 1 1 1 31 ASN ND2 . . . . . . 66 . 18729 3 >> 8 1 . 1 . . 7.020 . 1 1 1 31 ASN HD22 . . . . . . 67 . 18729 3 >> 8 2 . 1 . . 54.839 . 1 1 1 31 ASN CA . . . . . . 68 . 18729 3 >> 8 3 . 1 . . 112.780 . 1 1 1 31 ASN ND2 . . . . . . 66 . 18729 3 >> 9 1 . 1 . . 8.875 . 1 1 1 22 GLY H . . . . . . 16 . 18729 3 >> 9 2 . 1 . . 57.023 . 1 1 1 21 CYS CA . . . . . . 74 . 18729 3 >> 9 3 . 1 . . 109.365 . 1 1 1 22 GLY N . . . . . . 17 . 18729 3 >> 10 1 . 1 . . 8.876 . 1 1 1 22 GLY H . . . . . . 16 . 18729 3 >> 10 2 . 1 . . 38.647 . 1 1 1 21 CYS CB . . . . . . 73 . 18729 3 >> 10 3 . 1 . . 109.360 . 1 1 1 22 GLY N . . . . . . 17 . 18729 3 >> 11 1 . 1 . . 9.256 . 1 1 1 21 CYS H . . . . . . 3 . 18729 3 >> 11 2 . 1 . . 55.342 . 1 1 1 20 CYS CA . . . . . . 75 . 18729 3 >> 11 3 . 1 . . 122.632 . 1 1 1 21 CYS N . . . . . . 4 . 18729 3 >> 12 1 . 1 . . 9.256 . 1 1 1 21 CYS H . . . . . . 3 . 18729 3 >> 12 2 . 1 . . 36.560 . 1 1 1 20 CYS CB . . . . . . 76 . 18729 3 >> 12 3 . 1 . . 122.626 . 1 1 1 21 CYS N . . . . . . 4 . 18729 3 >> 13 1 . 1 . . 9.442 . 1 1 1 20 CYS H . . . . . . 30 . 18729 3 >> 13 2 . 1 . . 55.754 . 1 1 1 19 TRP CA . . . . . . 77 . 18729 3 >> 13 3 . 1 . . 120.736 . 1 1 1 20 CYS N . . . . . . 31 . 18729 3 >> 14 1 . 1 . . 9.441 . 1 1 1 20 CYS H . . . . . . 30 . 18729 3 >> 14 2 . 1 . . 30.019 . 1 1 1 19 TRP CB . . . . . . 78 . 18729 3 >> 14 3 . 1 . . 120.719 . 1 1 1 20 CYS N . . . . . . 31 . 18729 3 >> 15 1 . 1 . . 8.222 . 1 1 1 19 TRP H . . . . . . 46 . 18729 3 >> 15 2 . 1 . . 53.610 . 1 1 1 18 ASP CA . . . . . . 80 . 18729 3 >> 15 3 . 1 . . 126.898 . 1 1 1 19 TRP N . . . . . . 47 . 18729 3 >> 16 1 . 1 . . 8.219 . 1 1 1 19 TRP H . . . . . . 46 . 18729 3 >> 16 2 . 1 . . 41.842 . 1 1 1 18 ASP CB . . . . . . 79 . 18729 3 >> 16 3 . 1 . . 126.869 . 1 1 1 19 TRP N . . . . . . 47 . 18729 3 >> 17 1 . 1 . . 8.603 . 1 1 1 18 ASP H . . . . . . 56 . 18729 3 >> 17 2 . 1 . . 44.354 . 1 1 1 17 GLY CA . . . . . . 81 . 18729 3 >> 17 3 . 1 . . 119.854 . 1 1 1 18 ASP N . . . . . . 57 . 18729 3 >> 18 1 . 1 . . 7.660 . 1 1 1 17 GLY H . . . . . . 20 . 18729 3 >> 18 2 . 1 . . 54.939 . 1 1 1 16 MET CA . . . . . . 83 . 18729 3 >> 18 3 . 1 . . 109.258 . 1 1 1 17 GLY N . . . . . . 21 . 18729 3 >> 19 1 . 1 . . 7.659 . 1 1 1 17 GLY H . . . . . . 20 . 18729 3 >> 19 2 . 1 . . 33.780 . 1 1 1 16 MET CB . . . . . . 82 . 18729 3 >> 19 3 . 1 . . 109.268 . 1 1 1 17 GLY N . . . . . . 21 . 18729 3 >> 20 1 . 1 . . 8.322 . 1 1 1 8 GLY H . . . . . . 28 . 18729 3 >> 20 2 . 2 . . 44.644 . 1 1 1 7 GLY CA . . . . . . 95 . 18729 3 >> 20 3 . 1 . . 108.190 . 1 1 1 8 GLY N . . . . . . 29 . 18729 3 >> 21 1 . 1 . . 8.418 . 1 1 1 32 GLY H . . . . . . 44 . 18729 3 >> 21 2 . 1 . . 54.758 . 1 1 1 31 ASN CA . . . . . . 68 . 18729 3 >> 21 3 . 1 . . 114.584 . 1 1 1 32 GLY N . . . . . . 45 . 18729 3 >> 22 1 . 1 . . 8.418 . 1 1 1 32 GLY H . . . . . . 44 . 18729 3 >> 22 2 . 1 . . 38.139 . 1 1 1 31 ASN CB . . . . . . 71 . 18729 3 >> 22 3 . 1 . . 114.584 . 1 1 1 32 GLY N . . . . . . 45 . 18729 3 >> 23 1 . 1 . . 8.690 . 1 1 1 31 ASN H . . . . . . 24 . 18729 3 >> 23 2 . 1 . . 53.919 . 1 1 1 30 ARG CA . . . . . . 86 . 18729 3 >> 23 3 . 1 . . 115.698 . 1 1 1 31 ASN N . . . . . . 25 . 18729 3 >> 24 1 . 1 . . 8.693 . 1 1 1 31 ASN H . . . . . . 24 . 18729 3 >> 24 2 . 1 . . 34.190 . 1 1 1 30 ARG CB . . . . . . 85 . 18729 3 >> 24 3 . 1 . . 115.739 . 1 1 1 31 ASN N . . . . . . 25 . 18729 3 >> 25 1 . 1 . . 9.612 . 1 1 1 30 ARG H . . . . . . 59 . 18729 3 >> 25 2 . 1 . . 53.500 . 1 1 1 29 CYS CA . . . . . . 88 . 18729 3 >> 25 3 . 1 . . 125.091 . 1 1 1 30 ARG N . . . . . . 60 . 18729 3 >> 26 1 . 1 . . 9.611 . 1 1 1 30 ARG H . . . . . . 59 . 18729 3 >> 26 2 . 1 . . 35.905 . 1 1 1 29 CYS CB . . . . . . 87 . 18729 3 >> 26 3 . 1 . . 125.132 . 1 1 1 30 ARG N . . . . . . 60 . 18729 3 >> 27 1 . 1 . . 8.986 . 1 1 1 29 CYS H . . . . . . 61 . 18729 3 >> 27 2 . 1 . . 54.673 . 1 1 1 28 GLU CA . . . . . . 89 . 18729 3 >> 27 3 . 1 . . 125.058 . 1 1 1 29 CYS N . . . . . . 62 . 18729 3 >> 28 1 . 1 . . 8.986 . 1 1 1 29 CYS H . . . . . . 61 . 18729 3 >> 28 2 . 1 . . 33.723 . 1 1 1 28 GLU CB . . . . . . 90 . 18729 3 >> 28 3 . 1 . . 125.073 . 1 1 1 29 CYS N . . . . . . 62 . 18729 3 >> 29 1 . 1 . . 7.870 . 1 1 1 28 GLU H . . . . . . 22 . 18729 3 >> 29 2 . 1 . . 57.287 . 1 1 1 27 ASN CA . . . . . . 91 . 18729 3 >> 29 3 . 1 . . 121.228 . 1 1 1 28 GLU N . . . . . . 23 . 18729 3 >> 30 1 . 1 . . 7.871 . 1 1 1 28 GLU H . . . . . . 22 . 18729 3 >> 30 2 . 1 . . 37.821 . 1 1 1 27 ASN CB . . . . . . 92 . 18729 3 >> 30 3 . 1 . . 121.234 . 1 1 1 28 GLU N . . . . . . 23 . 18729 3 >> 31 1 . 1 . . 8.367 . 1 1 1 27 ASN H . . . . . . 1 . 18729 3 >> 31 2 . 1 . . 27.429 . 1 1 1 26 ARG CB . . . . . . 94 . 18729 3 >> 31 3 . 1 . . 106.078 . 1 1 1 27 ASN N . . . . . . 2 . 18729 3 >> 32 1 . 1 . . 8.369 . 1 1 1 27 ASN H . . . . . . 1 . 18729 3 >> 32 2 . 1 . . 57.538 . 1 1 1 26 ARG CA . . . . . . 93 . 18729 3 >> 32 3 . 2 . . 106.081 . 1 1 1 27 ASN N . . . . . . 2 . 18729 3 >> 33 1 . 1 . . 9.558 . 1 1 1 7 GLY H . . . . . . 50 . 18729 3 >> 33 2 . 1 . . 37.290 . 1 1 1 6 ASN CB . . . . . . 70 . 18729 3 >> 33 3 . 1 . . 113.143 . 1 1 1 7 GLY N . . . . . . 51 . 18729 3 >> 34 1 . 1 . . 9.558 . 1 1 1 7 GLY H . . . . . . 50 . 18729 3 >> 34 2 . 1 . . 54.117 . 1 1 1 6 ASN CA . . . . . . 69 . 18729 3 >> 34 3 . 1 . . 113.077 . 1 1 1 7 GLY N . . . . . . 51 . 18729 3 >> 35 1 . 1 . . 8.703 . 1 1 1 6 ASN H . . . . . . 63 . 18729 3 >> 35 2 . 1 . . 30.361 . 1 1 1 5 GLU CB . . . . . . 97 . 18729 3 >> 35 3 . 1 . . 119.214 . 1 1 1 6 ASN N . . . . . . 64 . 18729 3 >> 36 1 . 1 . . 8.703 . 1 1 1 6 ASN H . . . . . . 63 . 18729 3 >> 36 2 . 1 . . 56.050 . 1 1 1 5 GLU CA . . . . . . 96 . 18729 3 >> 36 3 . 1 . . 119.312 . 1 1 1 6 ASN N . . . . . . 64 . 18729 3 >> 37 1 . 1 . . 8.988 . 1 1 1 5 GLU H . . . . . . 5 . 18729 3 >> 37 2 . 1 . . 64.434 . 1 1 1 4 VAL CA . . . . . . 98 . 18729 3 >> 37 3 . 1 . . 129.794 . 1 1 1 5 GLU N . . . . . . 6 . 18729 3 >> 38 1 . 1 . . 8.990 . 1 1 1 5 GLU H . . . . . . 5 . 18729 3 >> 38 2 . 1 . . 32.170 . 1 1 1 4 VAL CB . . . . . . 99 . 18729 3 >> 38 3 . 1 . . 129.790 . 1 1 1 5 GLU N . . . . . . 6 . 18729 3 >> 39 1 . 1 . . 10.604 . 1 1 1 24 CYS H . . . . . . 40 . 18729 3 >> 39 2 . 1 . . 54.213 . 1 1 1 23 ARG CA . . . . . . 102 . 18729 3 >> 39 3 . 1 . . 127.182 . 1 1 1 24 CYS N . . . . . . 41 . 18729 3 >> 40 1 . 1 . . 10.604 . 1 1 1 24 CYS H . . . . . . 40 . 18729 3 >> 40 2 . 1 . . 34.340 . 1 1 1 23 ARG CB . . . . . . 101 . 18729 3 >> 40 3 . 1 . . 127.161 . 1 1 1 24 CYS N . . . . . . 41 . 18729 3 >> 41 1 . 1 . . 9.147 . 1 1 1 23 ARG H . . . . . . 52 . 18729 3 >> 41 2 . 1 . . 44.670 . 1 1 1 22 GLY CA . . . . . . 72 . 18729 3 >> 41 3 . 1 . . 125.357 . 1 1 1 23 ARG N . . . . . . 53 . 18729 3 >> 42 1 . 1 . . 8.761 . 1 1 1 25 ILE H . . . . . . 12 . 18729 3 >> 42 2 . 1 . . 56.680 . 1 1 1 24 CYS CA . . . . . . 100 . 18729 3 >> 42 3 . 1 . . 132.512 . 1 1 1 25 ILE N . . . . . . 13 . 18729 3 >> 43 1 . 1 . . 8.763 . 1 1 1 25 ILE H . . . . . . 12 . 18729 3 >> 43 2 . 2 . . 39.053 . 1 1 1 24 CYS CB . . . . . . 103 . 18729 3 >> 43 3 . 1 . . 132.469 . 1 1 1 25 ILE N . . . . . . 13 . 18729 3 >> 44 1 . 1 . . 9.269 . 1 1 1 26 ARG H . . . . . . 26 . 18729 3 >> 44 2 . 1 . . 39.512 . 1 1 1 25 ILE CB . . . . . . 104 . 18729 3 >> 44 3 . 1 . . 128.830 . 1 1 1 26 ARG N . . . . . . 27 . 18729 3 >> 45 1 . 1 . . 9.267 . 1 1 1 26 ARG H . . . . . . 26 . 18729 3 >> 45 2 . 1 . . 60.100 . 1 1 1 25 ILE CA . . . . . . 105 . 18729 3 >> 45 3 . 1 . . 128.815 . 1 1 1 26 ARG N . . . . . . 27 . 18729 3 >> 46 1 . 1 . . 8.430 . 1 1 1 9 PHE H . . . . . . 36 . 18729 3 >> 46 2 . 1 . . 44.532 . 1 1 1 8 GLY CA . . . . . . 110 . 18729 3 >> 46 3 . 1 . . 120.604 . 1 1 1 9 PHE N . . . . . . 37 . 18729 3 >> 47 1 . 1 . . 6.937 . 1 1 1 10 CYS H . . . . . . 9 . 18729 3 >> 47 2 . 1 . . 39.603 . 1 1 1 9 PHE CB . . . . . . 107 . 18729 3 >> 47 3 . 1 . . 122.498 . 1 1 1 10 CYS N . . . . . . 10 . 18729 3 >> 48 1 . 1 . . 6.939 . 1 1 1 10 CYS H . . . . . . 9 . 18729 3 >> 48 2 . 1 . . 58.637 . 1 1 1 9 PHE CA . . . . . . 106 . 18729 3 >> 48 3 . 1 . . 122.544 . 1 1 1 10 CYS N . . . . . . 10 . 18729 3 >> 49 1 . 1 . . 8.804 . 1 1 1 4 VAL H . . . . . . 42 . 18729 3 >> 49 2 . 1 . . 54.064 . 1 1 1 3 CYS CA . . . . . . 111 . 18729 3 >> 49 3 . 1 . . 121.890 . 1 1 1 4 VAL N . . . . . . 43 . 18729 3 >> 50 1 . 1 . . 8.807 . 1 1 1 4 VAL H . . . . . . 42 . 18729 3 >> 50 2 . 1 . . 41.423 . 1 1 1 3 CYS CB . . . . . . 112 . 18729 3 >> 50 3 . 1 . . 121.932 . 1 1 1 4 VAL N . . . . . . 43 . 18729 3 >> 51 1 . 1 . . 7.930 . 1 1 1 16 MET H . . . . . . 38 . 18729 3 >> 51 2 . 1 . . 57.207 . 1 1 1 15 LYS CA . . . . . . 113 . 18729 3 >> 51 3 . 1 . . 114.959 . 1 1 1 16 MET N . . . . . . 39 . 18729 3 >> 52 1 . 1 . . 7.928 . 1 1 1 16 MET H . . . . . . 38 . 18729 3 >> 52 2 . 1 . . 33.931 . 1 1 1 15 LYS CB . . . . . . 140 . 18729 3 >> 52 3 . 1 . . 114.856 . 1 1 1 16 MET N . . . . . . 39 . 18729 3 >> 53 1 . 1 . . 7.454 . 1 1 1 15 LYS H . . . . . . 18 . 18729 3 >> 53 2 . 1 . . 58.587 . 1 1 1 14 GLU CA . . . . . . 115 . 18729 3 >> 53 3 . 1 . . 116.267 . 1 1 1 15 LYS N . . . . . . 19 . 18729 3 >> 54 1 . 1 . . 7.455 . 1 1 1 15 LYS H . . . . . . 18 . 18729 3 >> 54 2 . 1 . . 28.803 . 1 1 1 14 GLU CB . . . . . . 114 . 18729 3 >> 54 3 . 1 . . 116.263 . 1 1 1 15 LYS N . . . . . . 19 . 18729 3 >> 55 1 . 1 . . 8.736 . 1 1 1 14 GLU H . . . . . . 48 . 18729 3 >> 55 2 . 1 . . 31.868 . 1 1 1 13 PRO CB . . . . . . 117 . 18729 3 >> 55 3 . 1 . . 119.884 . 1 1 1 14 GLU N . . . . . . 49 . 18729 3 >> 56 1 . 1 . . 8.735 . 1 1 1 14 GLU H . . . . . . 48 . 18729 3 >> 56 2 . 1 . . 63.703 . 1 1 1 13 PRO CA . . . . . . 116 . 18729 3 >> 56 3 . 1 . . 119.884 . 1 1 1 14 GLU N . . . . . . 49 . 18729 3 >> 57 1 . 1 . . 8.118 . 1 1 1 12 ASP H . . . . . . 14 . 18729 3 >> 57 2 . 1 . . 32.376 . 1 1 1 11 PRO CB . . . . . . 121 . 18729 3 >> 57 3 . 1 . . 117.086 . 1 1 1 12 ASP N . . . . . . 15 . 18729 3 >> 58 1 . 1 . . 8.118 . 1 1 1 12 ASP H . . . . . . 14 . 18729 3 >> 58 2 . 1 . . 60.830 . 1 1 1 11 PRO CA . . . . . . 120 . 18729 3 >> 58 3 . 1 . . 117.061 . 1 1 1 12 ASP N . . . . . . 15 . 18729 3 >> 59 1 . 1 . . 7.989 . 1 1 1 27 ASN HD22 . . . . . . 34 . 18729 3 >> 59 2 . 1 . . 57.300 . 1 1 1 27 ASN CA . . . . . . 91 . 18729 3 >> 59 3 . 1 . . 108.043 . 1 1 1 27 ASN ND2 . . . . . . 35 . 18729 3 >> 60 1 . 1 . . 6.852 . 1 1 1 27 ASN HD21 . . . . . . 65 . 18729 3 >> 60 2 . 1 . . 57.239 . 1 1 1 27 ASN CA . . . . . . 91 . 18729 3 >> 60 3 . 2 . . 107.948 . 1 1 1 27 ASN ND2 . . . . . . 35 . 18729 3 >> 61 1 . 1 . . 8.256 . 1 1 1 3 CYS H . . . . . . 54 . 18729 3 >> 61 2 . 1 . . 30.172 . 1 1 1 2 GLU CB . . . . . . 152 . 18729 3 >> 61 3 . 1 . . 118.051 . 1 1 1 3 CYS N . . . . . . 55 . 18729 3 >> 62 1 . 1 . . 8.257 . 1 1 1 3 CYS H . . . . . . 54 . 18729 3 >> 62 2 . 1 . . 56.252 . 1 1 1 2 GLU CA . . . . . . 153 . 18729 3 >> 62 3 . 1 . . 118.094 . 1 1 1 3 CYS N . . . . . . 55 . 18729 3 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '3D HNCO' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 C 13C 3 N 15N stop_ _Sample_label $13C_15N _Sample_conditions_label $Standard _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4 >> _Spectral_peak_list.Entry_ID 18729 >> _Spectral_peak_list.ID 4 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $13C_15N >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Standard >> _Spectral_peak_list.Experiment_ID 4 >> _Spectral_peak_list.Experiment_name '3D HNCO' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . 2968.75000000 . . . 18729 4 >> 2 C 13 13C . 2500.00000000 . . . 18729 4 >> 3 N 15 15N . 2129.24518258 . . . 18729 4 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18729 4 >> 2 1.0 . 18729 4 >> 3 1.0 . 18729 4 >> 4 1.0 . 18729 4 >> 5 1.0 . 18729 4 >> 6 1.0 . 18729 4 >> 7 1.0 . 18729 4 >> 8 1.0 . 18729 4 >> 9 1.0 . 18729 4 >> 10 1.0 . 18729 4 >> 11 1.0 . 18729 4 >> 12 1.0 . 18729 4 >> 13 1.0 . 18729 4 >> 14 1.0 . 18729 4 >> 15 1.0 . 18729 4 >> 16 1.0 . 18729 4 >> 17 1.0 . 18729 4 >> 18 1.0 . 18729 4 >> 19 1.0 . 18729 4 >> 20 1.0 . 18729 4 >> 21 1.0 . 18729 4 >> 22 1.0 . 18729 4 >> 23 1.0 . 18729 4 >> 24 1.0 . 18729 4 >> 25 1.0 . 18729 4 >> 26 1.0 . 18729 4 >> 27 1.0 . 18729 4 >> 28 1.0 . 18729 4 >> 29 1.0 . 18729 4 >> 30 1.0 . 18729 4 >> 31 1.0 . 18729 4 >> 32 1.0 . 18729 4 >> 33 1.0 . 18729 4 >> 34 1.0 . 18729 4 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 7340404.000 . height 18729 4 >> 1 154988291.000 . volume 18729 4 >> 2 5231888.500 . height 18729 4 >> 2 112638710.000 . volume 18729 4 >> 3 5421026.000 . height 18729 4 >> 3 116551250.750 . volume 18729 4 >> 4 5534666.500 . height 18729 4 >> 4 119610937.000 . volume 18729 4 >> 5 5777177.000 . height 18729 4 >> 5 124912212.250 . volume 18729 4 >> 6 6027206.000 . height 18729 4 >> 6 125885038.000 . volume 18729 4 >> 7 2899614.000 . height 18729 4 >> 7 63548295.125 . volume 18729 4 >> 8 1433333.125 . height 18729 4 >> 8 32296248.500 . volume 18729 4 >> 9 6003828.500 . height 18729 4 >> 9 126670248.250 . volume 18729 4 >> 10 3108178.000 . height 18729 4 >> 10 67821515.750 . volume 18729 4 >> 11 4458180.000 . height 18729 4 >> 11 100025910.750 . volume 18729 4 >> 12 9627664.000 . height 18729 4 >> 12 213874025.500 . volume 18729 4 >> 13 5078507.000 . height 18729 4 >> 13 110806101.750 . volume 18729 4 >> 14 5780158.500 . height 18729 4 >> 14 123253177.250 . volume 18729 4 >> 15 6225027.000 . height 18729 4 >> 15 131315985.500 . volume 18729 4 >> 16 5273947.000 . height 18729 4 >> 16 113491387.000 . volume 18729 4 >> 17 3872993.500 . height 18729 4 >> 17 83369569.500 . volume 18729 4 >> 18 5622132.000 . height 18729 4 >> 18 120819464.250 . volume 18729 4 >> 19 5680947.500 . height 18729 4 >> 19 121035463.250 . volume 18729 4 >> 20 6123767.000 . height 18729 4 >> 20 129837031.000 . volume 18729 4 >> 21 7337210.500 . height 18729 4 >> 21 154571947.500 . volume 18729 4 >> 22 6474760.000 . height 18729 4 >> 22 137358168.750 . volume 18729 4 >> 23 6890289.000 . height 18729 4 >> 23 144433401.250 . volume 18729 4 >> 24 2919128.500 . height 18729 4 >> 24 63301023.500 . volume 18729 4 >> 25 6047559.500 . height 18729 4 >> 25 131099257.250 . volume 18729 4 >> 26 6117425.500 . height 18729 4 >> 26 129966258.000 . volume 18729 4 >> 27 6274714.000 . height 18729 4 >> 27 132957266.500 . volume 18729 4 >> 28 7199271.500 . height 18729 4 >> 28 153883275.000 . volume 18729 4 >> 29 4709242.500 . height 18729 4 >> 29 101735436.000 . volume 18729 4 >> 30 3071308.000 . height 18729 4 >> 30 69282546.750 . volume 18729 4 >> 31 6674049.000 . height 18729 4 >> 31 142168701.500 . volume 18729 4 >> 32 6818434.000 . height 18729 4 >> 32 146096391.000 . volume 18729 4 >> 33 10031755.000 . height 18729 4 >> 33 209975724.500 . volume 18729 4 >> 34 4661554.000 . height 18729 4 >> 34 100304766.000 . volume 18729 4 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 8.423 . 25.2749025822 . . . . . . . . . . 1 18729 4 >> 1 2 175.055 . 38.7667864561 . . . . . . . . . . 1 18729 4 >> 1 3 114.620 . 20.1438697499 . . . . . . . . . . 1 18729 4 >> 2 1 8.698 . 24.4255363941 . . . . . . . . . . 1 18729 4 >> 2 2 175.241 . 40.5830889940 . . . . . . . . . . 1 18729 4 >> 2 3 115.762 . 23.6494579496 . . . . . . . . . . 1 18729 4 >> 3 1 9.620 . 24.7669965029 . . . . . . . . . . 1 18729 4 >> 3 2 176.235 . 39.0357524157 . . . . . . . . . . 1 18729 4 >> 3 3 125.175 . 24.2484868506 . . . . . . . . . . 1 18729 4 >> 4 1 8.994 . 24.0494310856 . . . . . . . . . . 1 18729 4 >> 4 2 175.896 . 39.1190499067 . . . . . . . . . . 1 18729 4 >> 4 3 125.101 . 26.3161518621 . . . . . . . . . . 1 18729 4 >> 5 1 7.877 . 24.4365632534 . . . . . . . . . . 1 18729 4 >> 5 2 174.109 . 39.9188697338 . . . . . . . . . . 1 18729 4 >> 5 3 121.315 . 24.7037868892 . . . . . . . . . . 1 18729 4 >> 6 1 8.374 . 23.5740840435 . . . . . . . . . . 1 18729 4 >> 6 2 175.514 . 38.5148823261 . . . . . . . . . . 1 18729 4 >> 6 3 106.114 . 20.0753367824 . . . . . . . . . . 1 18729 4 >> 7 1 7.996 . 24.2459774017 . . . . . . . . . . 1 18729 4 >> 7 2 180.772 . 46.1502745748 . . . . . . . . . . 1 18729 4 >> 7 3 108.161 . 23.2522205640 . . . . . . . . . . 1 18729 4 >> 8 1 6.855 . 25.9238481522 . . . . . . . . . . 1 18729 4 >> 8 2 180.768 . 47.5190579891 . . . . . . . . . . 1 18729 4 >> 8 3 108.158 . 28.6881540145 . . . . . . . . . . 1 18729 4 >> 9 1 8.770 . 25.8447229862 . . . . . . . . . . 1 18729 4 >> 9 2 174.807 . 38.0989909172 . . . . . . . . . . 1 18729 4 >> 9 3 132.538 . 20.0004581698 . . . . . . . . . . 1 18729 4 >> 10 1 10.615 . 26.8383324146 . . . . . . . . . . 1 18729 4 >> 10 2 174.053 . 40.8001244068 . . . . . . . . . . 1 18729 4 >> 10 3 127.242 . 24.0524698723 . . . . . . . . . . 1 18729 4 >> 11 1 7.025 . 24.5310366154 . . . . . . . . . . 1 18729 4 >> 11 2 177.319 . 48.4625995159 . . . . . . . . . . 1 18729 4 >> 11 3 112.808 . 28.1523277391 . . . . . . . . . . 1 18729 4 >> 12 1 7.640 . 25.4771113396 . . . . . . . . . . 1 18729 4 >> 12 2 177.317 . 50.5700707436 . . . . . . . . . . 1 18729 4 >> 12 3 112.819 . 23.1737883901 . . . . . . . . . . 1 18729 4 >> 13 1 9.154 . 24.5427340269 . . . . . . . . . . 1 18729 4 >> 13 2 172.121 . 43.4513390064 . . . . . . . . . . 1 18729 4 >> 13 3 125.382 . 23.6631010866 . . . . . . . . . . 1 18729 4 >> 14 1 8.883 . 26.4483690262 . . . . . . . . . . 1 18729 4 >> 14 2 176.766 . 39.9675220251 . . . . . . . . . . 1 18729 4 >> 14 3 109.433 . 19.9075579250 . . . . . . . . . . 1 18729 4 >> 15 1 9.263 . 25.5384296179 . . . . . . . . . . 1 18729 4 >> 15 2 175.441 . 39.0049815178 . . . . . . . . . . 1 18729 4 >> 15 3 122.703 . 20.3356351459 . . . . . . . . . . 1 18729 4 >> 16 1 9.449 . 24.3279337883 . . . . . . . . . . 1 18729 4 >> 16 2 177.178 . 39.2097979784 . . . . . . . . . . 1 18729 4 >> 16 3 120.776 . 24.7695277728 . . . . . . . . . . 1 18729 4 >> 17 1 8.225 . 24.3400037289 . . . . . . . . . . 1 18729 4 >> 17 2 177.569 . 39.8974865675 . . . . . . . . . . 1 18729 4 >> 17 3 126.952 . 24.1572999299 . . . . . . . . . . 1 18729 4 >> 18 1 8.611 . 24.2261588573 . . . . . . . . . . 1 18729 4 >> 18 2 171.824 . 40.4748320580 . . . . . . . . . . 1 18729 4 >> 18 3 119.918 . 23.1149008032 . . . . . . . . . . 1 18729 4 >> 19 1 7.664 . 25.0583887100 . . . . . . . . . . 1 18729 4 >> 19 2 177.284 . 38.9812141657 . . . . . . . . . . 1 18729 4 >> 19 3 109.285 . 22.0424867750 . . . . . . . . . . 1 18729 4 >> 20 1 7.932 . 25.0580906868 . . . . . . . . . . 1 18729 4 >> 20 2 177.799 . 40.8940017223 . . . . . . . . . . 1 18729 4 >> 20 3 114.938 . 20.0088344214 . . . . . . . . . . 1 18729 4 >> 21 1 7.459 . 25.7754325867 . . . . . . . . . . 1 18729 4 >> 21 2 177.323 . 39.0980392694 . . . . . . . . . . 1 18729 4 >> 21 3 116.351 . 19.1807277309 . . . . . . . . . . 1 18729 4 >> 22 1 8.743 . 23.1951475143 . . . . . . . . . . 1 18729 4 >> 22 2 179.025 . 41.3097441196 . . . . . . . . . . 1 18729 4 >> 22 3 119.926 . 22.3564692964 . . . . . . . . . . 1 18729 4 >> 23 1 8.123 . 23.5806405544 . . . . . . . . . . 1 18729 4 >> 23 2 173.995 . 40.9360229969 . . . . . . . . . . 1 18729 4 >> 23 3 117.130 . 19.4147551236 . . . . . . . . . . 1 18729 4 >> 24 1 6.941 . 26.6438722610 . . . . . . . . . . 1 18729 4 >> 24 2 174.210 . 39.8001074791 . . . . . . . . . . 1 18729 4 >> 24 3 122.648 . 24.3060418520 . . . . . . . . . . 1 18729 4 >> 25 1 8.437 . 23.8668918610 . . . . . . . . . . 1 18729 4 >> 25 2 171.789 . 41.9808924198 . . . . . . . . . . 1 18729 4 >> 25 3 120.668 . 23.7895063378 . . . . . . . . . . 1 18729 4 >> 26 1 8.328 . 24.5243310928 . . . . . . . . . . 1 18729 4 >> 26 2 174.920 . 41.1940366030 . . . . . . . . . . 1 18729 4 >> 26 3 108.256 . 19.9687299441 . . . . . . . . . . 1 18729 4 >> 27 1 9.568 . 25.0642746687 . . . . . . . . . . 1 18729 4 >> 27 2 176.263 . 40.1822477579 . . . . . . . . . . 1 18729 4 >> 27 3 113.177 . 19.9621304732 . . . . . . . . . . 1 18729 4 >> 28 1 8.710 . 23.7880647182 . . . . . . . . . . 1 18729 4 >> 28 2 175.248 . 38.9646738768 . . . . . . . . . . 1 18729 4 >> 28 3 119.327 . 23.6329592722 . . . . . . . . . . 1 18729 4 >> 29 1 7.618 . 23.3241915703 . . . . . . . . . . 1 18729 4 >> 29 2 175.812 . 44.1139191389 . . . . . . . . . . 1 18729 4 >> 29 3 111.480 . 24.0484721158 . . . . . . . . . . 1 18729 4 >> 30 1 7.038 . 26.9629061222 . . . . . . . . . . 1 18729 4 >> 30 2 175.805 . 43.5453653336 . . . . . . . . . . 1 18729 4 >> 30 3 111.486 . 28.5707595794 . . . . . . . . . . 1 18729 4 >> 31 1 8.998 . 24.1764634848 . . . . . . . . . . 1 18729 4 >> 31 2 175.188 . 41.2602722645 . . . . . . . . . . 1 18729 4 >> 31 3 129.855 . 21.1827787718 . . . . . . . . . . 1 18729 4 >> 32 1 8.812 . 24.2057442665 . . . . . . . . . . 1 18729 4 >> 32 2 173.414 . 40.5931472778 . . . . . . . . . . 1 18729 4 >> 32 3 121.997 . 22.0019381026 . . . . . . . . . . 1 18729 4 >> 33 1 8.264 . 24.3963301182 . . . . . . . . . . 1 18729 4 >> 33 2 175.677 . 39.7294014692 . . . . . . . . . . 1 18729 4 >> 33 3 118.128 . 18.8251177774 . . . . . . . . . . 1 18729 4 >> 34 1 9.279 . 25.6416201591 . . . . . . . . . . 1 18729 4 >> 34 2 175.200 . 42.7029281855 . . . . . . . . . . 1 18729 4 >> 34 3 128.864 . 20.8043244958 . . . . . . . . . . 1 18729 4 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 . 1 . . 8.423 . 1 1 1 32 GLY H . . . . . . 44 . 18729 4 >> 1 2 . 1 . . 175.055 . 1 1 1 31 ASN C . . . . . . 122 . 18729 4 >> 1 3 . 1 . . 114.620 . 1 1 1 32 GLY N . . . . . . 45 . 18729 4 >> 2 1 . 1 . . 8.698 . 1 1 1 31 ASN H . . . . . . 24 . 18729 4 >> 2 2 . 1 . . 175.241 . 1 1 1 30 ARG C . . . . . . 123 . 18729 4 >> 2 3 . 1 . . 115.762 . 1 1 1 31 ASN N . . . . . . 25 . 18729 4 >> 3 1 . 1 . . 9.620 . 1 1 1 30 ARG H . . . . . . 59 . 18729 4 >> 3 2 . 1 . . 176.235 . 1 1 1 29 CYS C . . . . . . 124 . 18729 4 >> 3 3 . 1 . . 125.175 . 1 1 1 30 ARG N . . . . . . 60 . 18729 4 >> 4 1 . 1 . . 8.994 . 1 1 1 29 CYS H . . . . . . 61 . 18729 4 >> 4 2 . 1 . . 175.896 . 1 1 1 28 GLU C . . . . . . 125 . 18729 4 >> 4 3 . 1 . . 125.101 . 1 1 1 29 CYS N . . . . . . 62 . 18729 4 >> 5 1 . 1 . . 7.877 . 1 1 1 28 GLU H . . . . . . 22 . 18729 4 >> 5 2 . 1 . . 174.109 . 1 1 1 27 ASN C . . . . . . 126 . 18729 4 >> 5 3 . 1 . . 121.315 . 1 1 1 28 GLU N . . . . . . 23 . 18729 4 >> 6 1 . 1 . . 8.374 . 1 1 1 27 ASN H . . . . . . 1 . 18729 4 >> 6 2 . 1 . . 175.514 . 1 1 1 26 ARG C . . . . . . 127 . 18729 4 >> 6 3 . 1 . . 106.114 . 1 1 1 27 ASN N . . . . . . 2 . 18729 4 >> 7 1 . 1 . . 7.996 . 1 1 1 27 ASN HD22 . . . . . . 34 . 18729 4 >> 7 2 . 1 . . 180.772 . 1 1 1 27 ASN CG . . . . . . 128 . 18729 4 >> 7 3 . 1 . . 108.161 . 1 1 1 27 ASN ND2 . . . . . . 35 . 18729 4 >> 8 1 . 1 . . 6.855 . 1 1 1 27 ASN HD21 . . . . . . 65 . 18729 4 >> 8 2 . 1 . . 180.768 . 1 1 1 27 ASN CG . . . . . . 128 . 18729 4 >> 8 3 . 1 . . 108.158 . 1 1 1 27 ASN ND2 . . . . . . 35 . 18729 4 >> 9 1 . 1 . . 8.770 . 1 1 1 25 ILE H . . . . . . 12 . 18729 4 >> 9 2 . 1 . . 174.807 . 1 1 1 24 CYS C . . . . . . 129 . 18729 4 >> 9 3 . 1 . . 132.538 . 1 1 1 25 ILE N . . . . . . 13 . 18729 4 >> 10 1 . 1 . . 10.615 . 1 1 1 24 CYS H . . . . . . 40 . 18729 4 >> 10 2 . 2 . . 174.053 . 1 1 1 23 ARG C . . . . . . 130 . 18729 4 >> 10 3 . 1 . . 127.242 . 1 1 1 24 CYS N . . . . . . 41 . 18729 4 >> 11 1 . 1 . . 7.025 . 1 1 1 31 ASN HD22 . . . . . . 67 . 18729 4 >> 11 2 . 1 . . 177.319 . 1 1 1 31 ASN CG . . . . . . 131 . 18729 4 >> 11 3 . 1 . . 112.808 . 1 1 1 31 ASN ND2 . . . . . . 66 . 18729 4 >> 12 1 . 1 . . 7.640 . 1 1 1 31 ASN HD21 . . . . . . 58 . 18729 4 >> 12 2 . 1 . . 177.317 . 1 1 1 31 ASN CG . . . . . . 131 . 18729 4 >> 12 3 . 1 . . 112.819 . 1 1 1 31 ASN ND2 . . . . . . 66 . 18729 4 >> 13 1 . 1 . . 9.154 . 1 1 1 23 ARG H . . . . . . 52 . 18729 4 >> 13 2 . 1 . . 172.121 . 1 1 1 22 GLY C . . . . . . 132 . 18729 4 >> 13 3 . 1 . . 125.382 . 1 1 1 23 ARG N . . . . . . 53 . 18729 4 >> 14 1 . 1 . . 8.883 . 1 1 1 22 GLY H . . . . . . 16 . 18729 4 >> 14 2 . 1 . . 176.766 . 1 1 1 21 CYS C . . . . . . 133 . 18729 4 >> 14 3 . 1 . . 109.433 . 1 1 1 22 GLY N . . . . . . 17 . 18729 4 >> 15 1 . 1 . . 9.263 . 1 1 1 21 CYS H . . . . . . 3 . 18729 4 >> 15 2 . 2 . . 175.441 . 1 1 1 20 CYS C . . . . . . 134 . 18729 4 >> 15 3 . 1 . . 122.703 . 1 1 1 21 CYS N . . . . . . 4 . 18729 4 >> 16 1 . 1 . . 9.449 . 1 1 1 20 CYS H . . . . . . 30 . 18729 4 >> 16 2 . 1 . . 177.178 . 1 1 1 19 TRP C . . . . . . 135 . 18729 4 >> 16 3 . 1 . . 120.776 . 1 1 1 20 CYS N . . . . . . 31 . 18729 4 >> 17 1 . 1 . . 8.225 . 1 1 1 19 TRP H . . . . . . 46 . 18729 4 >> 17 2 . 1 . . 177.569 . 1 1 1 18 ASP C . . . . . . 136 . 18729 4 >> 17 3 . 1 . . 126.952 . 1 1 1 19 TRP N . . . . . . 47 . 18729 4 >> 18 1 . 1 . . 8.611 . 1 1 1 18 ASP H . . . . . . 56 . 18729 4 >> 18 2 . 1 . . 171.824 . 1 1 1 17 GLY C . . . . . . 137 . 18729 4 >> 18 3 . 1 . . 119.918 . 1 1 1 18 ASP N . . . . . . 57 . 18729 4 >> 19 1 . 1 . . 7.664 . 1 1 1 17 GLY H . . . . . . 20 . 18729 4 >> 19 2 . 1 . . 177.284 . 1 1 1 16 MET C . . . . . . 138 . 18729 4 >> 19 3 . 1 . . 109.285 . 1 1 1 17 GLY N . . . . . . 21 . 18729 4 >> 20 1 . 1 . . 7.932 . 1 1 1 16 MET H . . . . . . 38 . 18729 4 >> 20 2 . 1 . . 177.799 . 1 1 1 15 LYS C . . . . . . 139 . 18729 4 >> 20 3 . 1 . . 114.938 . 1 1 1 16 MET N . . . . . . 39 . 18729 4 >> 21 1 . 1 . . 7.459 . 1 1 1 15 LYS H . . . . . . 18 . 18729 4 >> 21 2 . 1 . . 177.323 . 1 1 1 14 GLU C . . . . . . 141 . 18729 4 >> 21 3 . 1 . . 116.351 . 1 1 1 15 LYS N . . . . . . 19 . 18729 4 >> 22 1 . 1 . . 8.743 . 1 1 1 14 GLU H . . . . . . 48 . 18729 4 >> 22 2 . 1 . . 179.025 . 1 1 1 13 PRO C . . . . . . 142 . 18729 4 >> 22 3 . 1 . . 119.926 . 1 1 1 14 GLU N . . . . . . 49 . 18729 4 >> 23 1 . 1 . . 8.123 . 1 1 1 12 ASP H . . . . . . 14 . 18729 4 >> 23 2 . 1 . . 173.995 . 1 1 1 11 PRO C . . . . . . 143 . 18729 4 >> 23 3 . 1 . . 117.130 . 1 1 1 12 ASP N . . . . . . 15 . 18729 4 >> 24 1 . 1 . . 6.941 . 1 1 1 10 CYS H . . . . . . 9 . 18729 4 >> 24 2 . 1 . . 174.210 . 1 1 1 9 PHE C . . . . . . 144 . 18729 4 >> 24 3 . 1 . . 122.648 . 1 1 1 10 CYS N . . . . . . 10 . 18729 4 >> 25 1 . 1 . . 8.437 . 1 1 1 9 PHE H . . . . . . 36 . 18729 4 >> 25 2 . 1 . . 171.789 . 1 1 1 8 GLY C . . . . . . 145 . 18729 4 >> 25 3 . 1 . . 120.668 . 1 1 1 9 PHE N . . . . . . 37 . 18729 4 >> 26 1 . 1 . . 8.328 . 1 1 1 8 GLY H . . . . . . 28 . 18729 4 >> 26 2 . 1 . . 174.920 . 1 1 1 7 GLY C . . . . . . 146 . 18729 4 >> 26 3 . 1 . . 108.256 . 1 1 1 8 GLY N . . . . . . 29 . 18729 4 >> 27 1 . 1 . . 9.568 . 1 1 1 7 GLY H . . . . . . 50 . 18729 4 >> 27 2 . 1 . . 176.263 . 1 1 1 6 ASN C . . . . . . 147 . 18729 4 >> 27 3 . 1 . . 113.177 . 1 1 1 7 GLY N . . . . . . 51 . 18729 4 >> 28 1 . 1 . . 8.710 . 1 1 1 6 ASN H . . . . . . 63 . 18729 4 >> 28 2 . 1 . . 175.248 . 1 1 1 5 GLU C . . . . . . 148 . 18729 4 >> 28 3 . 1 . . 119.327 . 1 1 1 6 ASN N . . . . . . 64 . 18729 4 >> 29 1 . 1 . . 7.618 . 1 1 1 6 ASN HD21 . . . . . . 7 . 18729 4 >> 29 2 . 1 . . 175.812 . 1 1 1 6 ASN CG . . . . . . 149 . 18729 4 >> 29 3 . 1 . . 111.480 . 1 1 1 6 ASN ND2 . . . . . . 8 . 18729 4 >> 30 1 . 1 . . 7.038 . 1 1 1 6 ASN HD22 . . . . . . 11 . 18729 4 >> 30 2 . 1 . . 175.805 . 1 1 1 6 ASN CG . . . . . . 149 . 18729 4 >> 30 3 . 1 . . 111.486 . 1 1 1 6 ASN ND2 . . . . . . 8 . 18729 4 >> 31 1 . 1 . . 8.998 . 1 1 1 5 GLU H . . . . . . 5 . 18729 4 >> 31 2 . 1 . . 175.188 . 1 1 1 4 VAL C . . . . . . 150 . 18729 4 >> 31 3 . 1 . . 129.855 . 1 1 1 5 GLU N . . . . . . 6 . 18729 4 >> 32 1 . 1 . . 8.812 . 1 1 1 4 VAL H . . . . . . 42 . 18729 4 >> 32 2 . 1 . . 173.414 . 1 1 1 3 CYS C . . . . . . 151 . 18729 4 >> 32 3 . 1 . . 121.997 . 1 1 1 4 VAL N . . . . . . 43 . 18729 4 >> 33 1 . 1 . . 8.264 . 1 1 1 3 CYS H . . . . . . 54 . 18729 4 >> 33 2 . 1 . . 175.677 . 1 1 1 2 GLU C . . . . . . 154 . 18729 4 >> 33 3 . 1 . . 118.128 . 1 1 1 3 CYS N . . . . . . 55 . 18729 4 >> 34 1 . 1 . . 9.279 . 1 1 1 26 ARG H . . . . . . 26 . 18729 4 >> 34 2 . 1 . . 175.200 . 1 1 1 25 ILE C . . . . . . 155 . 18729 4 >> 34 3 . 1 . . 128.864 . 1 1 1 26 ARG N . . . . . . 27 . 18729 4 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '3D HBHA(CO)NH' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 H 1H 3 N 15N stop_ _Sample_label $13C_15N _Sample_conditions_label $Standard _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4_5 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5 >> _Spectral_peak_list.Entry_ID 18729 >> _Spectral_peak_list.ID 5 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $13C_15N >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Standard >> _Spectral_peak_list.Experiment_ID 5 >> _Spectral_peak_list.Experiment_name '3D HBHA(CO)NH' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . 2968.75000000 . . . 18729 5 >> 2 H 1 1H . 4000.00000000 . . . 18729 5 >> 3 N 15 15N . 2129.24518258 . . . 18729 5 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18729 5 >> 2 1.0 . 18729 5 >> 3 1.0 . 18729 5 >> 4 1.0 . 18729 5 >> 5 1.0 . 18729 5 >> 6 1.0 . 18729 5 >> 7 1.0 . 18729 5 >> 8 1.0 . 18729 5 >> 9 1.0 . 18729 5 >> 10 1.0 . 18729 5 >> 11 1.0 . 18729 5 >> 12 1.0 . 18729 5 >> 13 1.0 . 18729 5 >> 14 1.0 . 18729 5 >> 15 1.0 . 18729 5 >> 16 1.0 . 18729 5 >> 17 1.0 . 18729 5 >> 18 1.0 . 18729 5 >> 19 1.0 . 18729 5 >> 20 1.0 . 18729 5 >> 21 1.0 . 18729 5 >> 22 1.0 . 18729 5 >> 23 1.0 . 18729 5 >> 24 1.0 . 18729 5 >> 25 1.0 . 18729 5 >> 26 1.0 . 18729 5 >> 27 1.0 . 18729 5 >> 28 1.0 . 18729 5 >> 29 1.0 . 18729 5 >> 30 1.0 . 18729 5 >> 31 1.0 . 18729 5 >> 32 1.0 . 18729 5 >> 33 1.0 . 18729 5 >> 34 1.0 . 18729 5 >> 35 1.0 . 18729 5 >> 36 1.0 . 18729 5 >> 37 1.0 . 18729 5 >> 38 1.0 . 18729 5 >> 39 1.0 . 18729 5 >> 40 1.0 . 18729 5 >> 41 1.0 . 18729 5 >> 42 1.0 . 18729 5 >> 43 1.0 . 18729 5 >> 44 1.0 . 18729 5 >> 45 1.0 . 18729 5 >> 46 1.0 . 18729 5 >> 47 1.0 . 18729 5 >> 48 1.0 . 18729 5 >> 49 1.0 . 18729 5 >> 50 1.0 . 18729 5 >> 51 1.0 . 18729 5 >> 52 1.0 . 18729 5 >> 53 1.0 . 18729 5 >> 54 1.0 . 18729 5 >> 55 1.0 . 18729 5 >> 56 1.0 . 18729 5 >> 57 1.0 . 18729 5 >> 58 1.0 . 18729 5 >> 59 1.0 . 18729 5 >> 60 1.0 . 18729 5 >> 61 1.0 . 18729 5 >> 62 1.0 . 18729 5 >> 63 1.0 . 18729 5 >> 64 1.0 . 18729 5 >> 65 1.0 . 18729 5 >> 66 1.0 . 18729 5 >> 67 1.0 . 18729 5 >> 68 1.0 . 18729 5 >> 69 1.0 . 18729 5 >> 70 1.0 . 18729 5 >> 71 1.0 . 18729 5 >> 72 1.0 . 18729 5 >> 73 1.0 . 18729 5 >> 74 1.0 . 18729 5 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 3458159.500 . height 18729 5 >> 1 74750071.375 . volume 18729 5 >> 2 3188837.500 . height 18729 5 >> 2 68557144.625 . volume 18729 5 >> 3 3206810.500 . height 18729 5 >> 3 69497730.625 . volume 18729 5 >> 4 2378210.500 . height 18729 5 >> 4 52428859.875 . volume 18729 5 >> 5 2263776.000 . height 18729 5 >> 5 50372945.500 . volume 18729 5 >> 6 3453454.750 . height 18729 5 >> 6 73155530.500 . volume 18729 5 >> 7 1054406.125 . height 18729 5 >> 7 23138268.875 . volume 18729 5 >> 8 1177215.750 . height 18729 5 >> 8 25793106.125 . volume 18729 5 >> 9 2753748.500 . height 18729 5 >> 9 58814608.750 . volume 18729 5 >> 10 1553175.750 . height 18729 5 >> 10 33527740.250 . volume 18729 5 >> 11 1695638.875 . height 18729 5 >> 11 36193493.750 . volume 18729 5 >> 12 4005817.000 . height 18729 5 >> 12 85343547.125 . volume 18729 5 >> 13 3512958.250 . height 18729 5 >> 13 75552261.125 . volume 18729 5 >> 14 2574454.500 . height 18729 5 >> 14 55012983.000 . volume 18729 5 >> 15 1646984.750 . height 18729 5 >> 15 35756757.250 . volume 18729 5 >> 16 1840615.125 . height 18729 5 >> 16 40361669.625 . volume 18729 5 >> 17 3207842.500 . height 18729 5 >> 17 68529285.250 . volume 18729 5 >> 18 439963.250 . height 18729 5 >> 18 9798387.750 . volume 18729 5 >> 19 461902.000 . height 18729 5 >> 19 10541169.875 . volume 18729 5 >> 20 2684625.500 . height 18729 5 >> 20 57287777.625 . volume 18729 5 >> 21 1692133.875 . height 18729 5 >> 21 35941155.500 . volume 18729 5 >> 22 2369933.000 . height 18729 5 >> 22 50140025.750 . volume 18729 5 >> 23 1581934.625 . height 18729 5 >> 23 33834385.750 . volume 18729 5 >> 24 2742628.500 . height 18729 5 >> 24 58404491.375 . volume 18729 5 >> 25 2545707.250 . height 18729 5 >> 25 54930920.000 . volume 18729 5 >> 26 2852045.750 . height 18729 5 >> 26 61099967.125 . volume 18729 5 >> 27 3406574.250 . height 18729 5 >> 27 72969542.375 . volume 18729 5 >> 28 3898904.000 . height 18729 5 >> 28 82966870.375 . volume 18729 5 >> 29 2496329.000 . height 18729 5 >> 29 53626467.750 . volume 18729 5 >> 30 1164777.375 . height 18729 5 >> 30 25964748.750 . volume 18729 5 >> 31 1509302.750 . height 18729 5 >> 31 32398031.000 . volume 18729 5 >> 32 1737334.750 . height 18729 5 >> 32 36858066.750 . volume 18729 5 >> 33 1520832.375 . height 18729 5 >> 33 33007797.500 . volume 18729 5 >> 34 3487643.500 . height 18729 5 >> 34 75195238.750 . volume 18729 5 >> 35 1467053.000 . height 18729 5 >> 35 31067492.125 . volume 18729 5 >> 36 1140372.125 . height 18729 5 >> 36 24122261.500 . volume 18729 5 >> 37 3068305.500 . height 18729 5 >> 37 65154712.875 . volume 18729 5 >> 38 2143875.000 . height 18729 5 >> 38 45383869.625 . volume 18729 5 >> 39 1364716.875 . height 18729 5 >> 39 28932066.250 . volume 18729 5 >> 40 1793068.500 . height 18729 5 >> 40 37761080.250 . volume 18729 5 >> 41 3038058.500 . height 18729 5 >> 41 65379943.125 . volume 18729 5 >> 42 998515.125 . height 18729 5 >> 42 21449957.000 . volume 18729 5 >> 43 992344.000 . height 18729 5 >> 43 21413704.500 . volume 18729 5 >> 44 4300137.000 . height 18729 5 >> 44 92581599.750 . volume 18729 5 >> 45 1395210.500 . height 18729 5 >> 45 31231256.500 . volume 18729 5 >> 46 1264595.375 . height 18729 5 >> 46 28083930.000 . volume 18729 5 >> 47 3595242.500 . height 18729 5 >> 47 77631789.750 . volume 18729 5 >> 48 2997120.500 . height 18729 5 >> 48 63716297.500 . volume 18729 5 >> 49 3995983.000 . height 18729 5 >> 49 84563016.500 . volume 18729 5 >> 50 2415824.500 . height 18729 5 >> 50 52602723.125 . volume 18729 5 >> 51 3864704.500 . height 18729 5 >> 51 81206815.500 . volume 18729 5 >> 52 895933.000 . height 18729 5 >> 52 19980303.375 . volume 18729 5 >> 53 1287775.500 . height 18729 5 >> 53 27793602.875 . volume 18729 5 >> 54 3570657.500 . height 18729 5 >> 54 76449841.000 . volume 18729 5 >> 55 1337708.000 . height 18729 5 >> 55 28772604.000 . volume 18729 5 >> 56 1187209.000 . height 18729 5 >> 56 25482389.375 . volume 18729 5 >> 57 4550772.500 . height 18729 5 >> 57 97503794.750 . volume 18729 5 >> 58 3726679.250 . height 18729 5 >> 58 79620073.250 . volume 18729 5 >> 59 3184027.500 . height 18729 5 >> 59 69139865.750 . volume 18729 5 >> 60 3208301.500 . height 18729 5 >> 60 68496180.500 . volume 18729 5 >> 61 2562480.500 . height 18729 5 >> 61 55413006.125 . volume 18729 5 >> 62 1569111.750 . height 18729 5 >> 62 35128515.250 . volume 18729 5 >> 63 1471154.875 . height 18729 5 >> 63 32769523.875 . volume 18729 5 >> 64 4444697.000 . height 18729 5 >> 64 93689436.500 . volume 18729 5 >> 65 1438549.875 . height 18729 5 >> 65 31860532.875 . volume 18729 5 >> 66 1452498.750 . height 18729 5 >> 66 32560531.875 . volume 18729 5 >> 67 2900321.000 . height 18729 5 >> 67 62487054.000 . volume 18729 5 >> 68 1276808.750 . height 18729 5 >> 68 27307343.125 . volume 18729 5 >> 69 1459991.125 . height 18729 5 >> 69 32883367.750 . volume 18729 5 >> 70 3142769.500 . height 18729 5 >> 70 66908088.375 . volume 18729 5 >> 71 1532523.250 . height 18729 5 >> 71 35661054.500 . volume 18729 5 >> 72 5301723.500 . height 18729 5 >> 72 112685637.500 . volume 18729 5 >> 73 1917817.000 . height 18729 5 >> 73 42114453.500 . volume 18729 5 >> 74 1977552.000 . height 18729 5 >> 74 42963081.750 . volume 18729 5 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 8.611 . 26.3494253159 . . . . . . . . . . 1 18729 5 >> 1 2 4.420 . 38.3489131927 . . . . . . . . . . 1 18729 5 >> 1 3 119.853 . 38.5150835307 . . . . . . . . . . 1 18729 5 >> 2 1 8.611 . 26.7453491688 . . . . . . . . . . 1 18729 5 >> 2 2 3.833 . 36.6449356079 . . . . . . . . . . 1 18729 5 >> 2 3 119.854 . 36.4343464901 . . . . . . . . . . 1 18729 5 >> 3 1 8.422 . 27.3582339287 . . . . . . . . . . 1 18729 5 >> 3 2 4.571 . 35.6231927872 . . . . . . . . . . 1 18729 5 >> 3 3 114.571 . 37.3003366820 . . . . . . . . . . 1 18729 5 >> 4 1 8.423 . 28.6042690277 . . . . . . . . . . 1 18729 5 >> 4 2 2.961 . 39.7541522980 . . . . . . . . . . 1 18729 5 >> 4 3 114.560 . 38.2677937397 . . . . . . . . . . 1 18729 5 >> 5 1 8.423 . 28.9383530617 . . . . . . . . . . 1 18729 5 >> 5 2 2.853 . 43.5912609100 . . . . . . . . . . 1 18729 5 >> 5 3 114.550 . 38.2504066720 . . . . . . . . . . 1 18729 5 >> 6 1 8.697 . 25.6493687630 . . . . . . . . . . 1 18729 5 >> 6 2 4.770 . 33.6863994598 . . . . . . . . . . 1 18729 5 >> 6 3 115.751 . 35.6776283075 . . . . . . . . . . 1 18729 5 >> 7 1 8.696 . 25.7234275341 . . . . . . . . . . 1 18729 5 >> 7 2 2.091 . 45.8056926727 . . . . . . . . . . 1 18729 5 >> 7 3 115.743 . 35.7414654976 . . . . . . . . . . 1 18729 5 >> 8 1 8.699 . 24.4928896427 . . . . . . . . . . 1 18729 5 >> 8 2 1.791 . 45.6490516663 . . . . . . . . . . 1 18729 5 >> 8 3 115.755 . 36.6318864233 . . . . . . . . . . 1 18729 5 >> 9 1 9.620 . 26.5740603209 . . . . . . . . . . 1 18729 5 >> 9 2 5.272 . 35.2216362953 . . . . . . . . . . 1 18729 5 >> 9 3 125.143 . 35.8768181084 . . . . . . . . . . 1 18729 5 >> 10 1 9.621 . 25.7997959852 . . . . . . . . . . 1 18729 5 >> 10 2 3.687 . 42.4388647079 . . . . . . . . . . 1 18729 5 >> 10 3 125.144 . 34.0116426331 . . . . . . . . . . 1 18729 5 >> 11 1 9.620 . 26.6549736261 . . . . . . . . . . 1 18729 5 >> 11 2 2.768 . 35.2272987366 . . . . . . . . . . 1 18729 5 >> 11 3 125.125 . 35.5466541919 . . . . . . . . . . 1 18729 5 >> 12 1 8.995 . 25.3269821405 . . . . . . . . . . 1 18729 5 >> 12 2 5.053 . 34.8800420761 . . . . . . . . . . 1 18729 5 >> 12 3 125.086 . 36.1709387605 . . . . . . . . . . 1 18729 5 >> 13 1 8.995 . 26.6529619694 . . . . . . . . . . 1 18729 5 >> 13 2 1.919 . 36.4911556244 . . . . . . . . . . 1 18729 5 >> 13 3 125.103 . 37.0234761847 . . . . . . . . . . 1 18729 5 >> 14 1 7.875 . 27.3492932320 . . . . . . . . . . 1 18729 5 >> 14 2 4.342 . 33.2914590836 . . . . . . . . . . 1 18729 5 >> 14 3 121.227 . 37.2785076627 . . . . . . . . . . 1 18729 5 >> 15 1 7.876 . 26.4136493206 . . . . . . . . . . 1 18729 5 >> 15 2 3.295 . 38.5798215866 . . . . . . . . . . 1 18729 5 >> 15 3 121.215 . 36.8775898030 . . . . . . . . . . 1 18729 5 >> 16 1 7.875 . 27.8042256832 . . . . . . . . . . 1 18729 5 >> 16 2 2.916 . 40.1315689087 . . . . . . . . . . 1 18729 5 >> 16 3 121.203 . 36.9833717074 . . . . . . . . . . 1 18729 5 >> 17 1 8.372 . 25.5775451660 . . . . . . . . . . 1 18729 5 >> 17 2 3.792 . 35.5051755905 . . . . . . . . . . 1 18729 5 >> 17 3 106.045 . 35.7988301296 . . . . . . . . . . 1 18729 5 >> 18 1 8.379 . 26.4632701874 . . . . . . . . . . 1 18729 5 >> 18 2 2.011 . 49.8235225677 . . . . . . . . . . 1 18729 5 >> 18 3 106.107 . 36.5287062333 . . . . . . . . . . 1 18729 5 >> 19 1 8.376 . 24.6825814247 . . . . . . . . . . 1 18729 5 >> 19 2 1.840 . 51.8498420715 . . . . . . . . . . 1 18729 5 >> 19 3 106.097 . 40.4899117539 . . . . . . . . . . 1 18729 5 >> 20 1 9.278 . 27.9533118010 . . . . . . . . . . 1 18729 5 >> 20 2 4.304 . 32.9761505127 . . . . . . . . . . 1 18729 5 >> 20 3 128.830 . 36.7547381131 . . . . . . . . . . 1 18729 5 >> 21 1 9.278 . 26.3590365648 . . . . . . . . . . 1 18729 5 >> 21 2 1.791 . 36.2377166748 . . . . . . . . . . 1 18729 5 >> 21 3 128.852 . 34.1048284320 . . . . . . . . . . 1 18729 5 >> 22 1 8.769 . 27.4865329266 . . . . . . . . . . 1 18729 5 >> 22 2 3.459 . 32.7504873276 . . . . . . . . . . 1 18729 5 >> 22 3 132.489 . 34.6773484004 . . . . . . . . . . 1 18729 5 >> 23 1 8.769 . 25.4553556442 . . . . . . . . . . 1 18729 5 >> 23 2 2.707 . 39.2065048218 . . . . . . . . . . 1 18729 5 >> 23 3 132.481 . 33.4165163039 . . . . . . . . . . 1 18729 5 >> 24 1 8.768 . 28.7687778473 . . . . . . . . . . 1 18729 5 >> 24 2 4.710 . 34.6342325211 . . . . . . . . . . 1 18729 5 >> 24 3 132.494 . 33.7056873528 . . . . . . . . . . 1 18729 5 >> 25 1 10.617 . 29.6500138938 . . . . . . . . . . 1 18729 5 >> 25 2 1.664 . 35.8955860138 . . . . . . . . . . 1 18729 5 >> 25 3 127.186 . 35.6628429543 . . . . . . . . . . 1 18729 5 >> 26 1 10.618 . 28.2664597034 . . . . . . . . . . 1 18729 5 >> 26 2 4.869 . 35.2530479431 . . . . . . . . . . 1 18729 5 >> 26 3 127.187 . 34.3039230482 . . . . . . . . . . 1 18729 5 >> 27 1 9.155 . 25.6382673979 . . . . . . . . . . 1 18729 5 >> 27 2 3.826 . 38.4627580643 . . . . . . . . . . 1 18729 5 >> 27 3 125.362 . 34.8379725429 . . . . . . . . . . 1 18729 5 >> 28 1 9.152 . 25.4061818123 . . . . . . . . . . 1 18729 5 >> 28 2 4.271 . 35.0811481476 . . . . . . . . . . 1 18729 5 >> 28 3 125.343 . 35.0735863469 . . . . . . . . . . 1 18729 5 >> 29 1 8.882 . 27.3314118385 . . . . . . . . . . 1 18729 5 >> 29 2 4.564 . 36.9024276733 . . . . . . . . . . 1 18729 5 >> 29 3 109.368 . 35.3729104280 . . . . . . . . . . 1 18729 5 >> 30 1 8.885 . 28.7316739559 . . . . . . . . . . 1 18729 5 >> 30 2 2.744 . 46.8168258667 . . . . . . . . . . 1 18729 5 >> 30 3 109.387 . 35.7102449235 . . . . . . . . . . 1 18729 5 >> 31 1 8.883 . 25.9201228619 . . . . . . . . . . 1 18729 5 >> 31 2 3.278 . 36.8279218674 . . . . . . . . . . 1 18729 5 >> 31 3 109.348 . 35.7178596977 . . . . . . . . . . 1 18729 5 >> 32 1 9.264 . 23.9224731922 . . . . . . . . . . 1 18729 5 >> 32 2 3.050 . 39.9274826050 . . . . . . . . . . 1 18729 5 >> 32 3 122.651 . 35.3889649102 . . . . . . . . . . 1 18729 5 >> 33 1 9.264 . 23.8301604986 . . . . . . . . . . 1 18729 5 >> 33 2 2.705 . 41.4891242981 . . . . . . . . . . 1 18729 5 >> 33 3 122.622 . 37.3385374657 . . . . . . . . . . 1 18729 5 >> 34 1 9.263 . 25.4841893911 . . . . . . . . . . 1 18729 5 >> 34 2 4.866 . 37.0792150497 . . . . . . . . . . 1 18729 5 >> 34 3 122.632 . 36.1713194992 . . . . . . . . . . 1 18729 5 >> 35 1 9.452 . 24.3423879147 . . . . . . . . . . 1 18729 5 >> 35 2 3.635 . 34.9136590958 . . . . . . . . . . 1 18729 5 >> 35 3 120.723 . 35.3470836523 . . . . . . . . . . 1 18729 5 >> 36 1 9.451 . 24.3077427149 . . . . . . . . . . 1 18729 5 >> 36 2 3.043 . 37.2526645660 . . . . . . . . . . 1 18729 5 >> 36 3 120.736 . 33.5868651476 . . . . . . . . . . 1 18729 5 >> 37 1 9.451 . 24.4720280170 . . . . . . . . . . 1 18729 5 >> 37 2 4.894 . 33.6573719978 . . . . . . . . . . 1 18729 5 >> 37 3 120.746 . 36.3384003356 . . . . . . . . . . 1 18729 5 >> 38 1 8.225 . 25.7205963135 . . . . . . . . . . 1 18729 5 >> 38 2 4.897 . 35.2290272713 . . . . . . . . . . 1 18729 5 >> 38 3 126.902 . 35.2091293270 . . . . . . . . . . 1 18729 5 >> 39 1 8.224 . 24.7310101986 . . . . . . . . . . 1 18729 5 >> 39 2 3.161 . 37.8408432007 . . . . . . . . . . 1 18729 5 >> 39 3 126.882 . 33.1803631201 . . . . . . . . . . 1 18729 5 >> 40 1 8.226 . 25.3775715828 . . . . . . . . . . 1 18729 5 >> 40 2 2.363 . 38.1476879120 . . . . . . . . . . 1 18729 5 >> 40 3 126.878 . 32.3268103927 . . . . . . . . . . 1 18729 5 >> 41 1 7.663 . 27.3270905018 . . . . . . . . . . 1 18729 5 >> 41 2 4.815 . 35.6427431107 . . . . . . . . . . 1 18729 5 >> 41 3 109.233 . 36.5235028043 . . . . . . . . . . 1 18729 5 >> 42 1 7.665 . 24.3277847767 . . . . . . . . . . 1 18729 5 >> 42 2 2.299 . 42.6871776581 . . . . . . . . . . 1 18729 5 >> 42 3 109.283 . 33.9767415849 . . . . . . . . . . 1 18729 5 >> 43 1 7.664 . 27.2493064404 . . . . . . . . . . 1 18729 5 >> 43 2 1.740 . 39.2467975616 . . . . . . . . . . 1 18729 5 >> 43 3 109.253 . 34.4689098217 . . . . . . . . . . 1 18729 5 >> 44 1 7.931 . 26.8426537514 . . . . . . . . . . 1 18729 5 >> 44 2 4.428 . 34.5753431320 . . . . . . . . . . 1 18729 5 >> 44 3 114.888 . 37.9798283633 . . . . . . . . . . 1 18729 5 >> 45 1 7.932 . 27.3002684116 . . . . . . . . . . 1 18729 5 >> 45 2 1.917 . 104.5958995820 . . . . . . . . . . 1 18729 5 >> 45 3 114.856 . 37.0108483509 . . . . . . . . . . 1 18729 5 >> 46 1 7.931 . 25.1023471355 . . . . . . . . . . 1 18729 5 >> 46 2 1.826 . 108.6900234220 . . . . . . . . . . 1 18729 5 >> 46 3 114.877 . 36.8714979836 . . . . . . . . . . 1 18729 5 >> 47 1 7.457 . 27.9535353184 . . . . . . . . . . 1 18729 5 >> 47 2 4.109 . 34.3027114868 . . . . . . . . . . 1 18729 5 >> 47 3 116.315 . 37.4234421977 . . . . . . . . . . 1 18729 5 >> 48 1 7.456 . 27.9702246189 . . . . . . . . . . 1 18729 5 >> 48 2 2.094 . 33.5893630981 . . . . . . . . . . 1 18729 5 >> 48 3 116.310 . 34.4010114188 . . . . . . . . . . 1 18729 5 >> 49 1 8.741 . 25.3321230412 . . . . . . . . . . 1 18729 5 >> 49 2 4.202 . 33.9336395264 . . . . . . . . . . 1 18729 5 >> 49 3 119.876 . 36.3706996694 . . . . . . . . . . 1 18729 5 >> 50 1 8.742 . 24.7028470039 . . . . . . . . . . 1 18729 5 >> 50 2 2.028 . 38.7575626373 . . . . . . . . . . 1 18729 5 >> 50 3 119.854 . 39.0308575674 . . . . . . . . . . 1 18729 5 >> 51 1 8.122 . 25.9251892567 . . . . . . . . . . 1 18729 5 >> 51 2 4.093 . 32.6551198959 . . . . . . . . . . 1 18729 5 >> 51 3 117.079 . 36.1398450993 . . . . . . . . . . 1 18729 5 >> 52 1 8.122 . 25.2856314182 . . . . . . . . . . 1 18729 5 >> 52 2 1.958 . 54.8491477966 . . . . . . . . . . 1 18729 5 >> 52 3 117.091 . 35.5136568371 . . . . . . . . . . 1 18729 5 >> 53 1 8.122 . 24.9344110489 . . . . . . . . . . 1 18729 5 >> 53 2 1.688 . 42.0322418213 . . . . . . . . . . 1 18729 5 >> 53 3 117.088 . 34.1169803424 . . . . . . . . . . 1 18729 5 >> 54 1 6.940 . 27.7920067310 . . . . . . . . . . 1 18729 5 >> 54 2 4.726 . 34.9210500717 . . . . . . . . . . 1 18729 5 >> 54 3 122.544 . 36.2681540440 . . . . . . . . . . 1 18729 5 >> 55 1 6.939 . 25.8059799671 . . . . . . . . . . 1 18729 5 >> 55 2 3.402 . 38.5456085205 . . . . . . . . . . 1 18729 5 >> 55 3 122.522 . 33.7693659018 . . . . . . . . . . 1 18729 5 >> 56 1 6.939 . 24.5541334152 . . . . . . . . . . 1 18729 5 >> 56 2 2.855 . 38.6679172516 . . . . . . . . . . 1 18729 5 >> 56 3 122.547 . 34.6547103113 . . . . . . . . . . 1 18729 5 >> 57 1 8.435 . 25.6821513176 . . . . . . . . . . 1 18729 5 >> 57 2 4.306 . 35.7806682587 . . . . . . . . . . 1 18729 5 >> 57 3 120.607 . 37.0998777521 . . . . . . . . . . 1 18729 5 >> 58 1 8.435 . 24.7727334499 . . . . . . . . . . 1 18729 5 >> 58 2 3.584 . 35.5743169785 . . . . . . . . . . 1 18729 5 >> 58 3 120.596 . 37.7526542674 . . . . . . . . . . 1 18729 5 >> 59 1 8.328 . 27.5294482708 . . . . . . . . . . 1 18729 5 >> 59 2 4.528 . 36.5210771561 . . . . . . . . . . 1 18729 5 >> 59 3 108.212 . 36.6851898424 . . . . . . . . . . 1 18729 5 >> 60 1 8.327 . 27.6567041874 . . . . . . . . . . 1 18729 5 >> 60 2 3.862 . 34.2661142349 . . . . . . . . . . 1 18729 5 >> 60 3 108.207 . 35.9815847096 . . . . . . . . . . 1 18729 5 >> 61 1 9.569 . 25.2923369408 . . . . . . . . . . 1 18729 5 >> 61 2 4.112 . 38.3929014206 . . . . . . . . . . 1 18729 5 >> 61 3 113.143 . 36.3224727664 . . . . . . . . . . 1 18729 5 >> 62 1 9.567 . 26.7540663481 . . . . . . . . . . 1 18729 5 >> 62 2 2.877 . 103.9988994600 . . . . . . . . . . 1 18729 5 >> 62 3 113.157 . 38.9941162821 . . . . . . . . . . 1 18729 5 >> 63 1 9.568 . 25.9136408567 . . . . . . . . . . 1 18729 5 >> 63 2 2.783 . 106.4131259920 . . . . . . . . . . 1 18729 5 >> 63 3 113.150 . 36.2486094570 . . . . . . . . . . 1 18729 5 >> 64 1 8.709 . 25.1370668411 . . . . . . . . . . 1 18729 5 >> 64 2 4.111 . 34.3695878983 . . . . . . . . . . 1 18729 5 >> 64 3 119.238 . 35.0942096936 . . . . . . . . . . 1 18729 5 >> 65 1 8.711 . 26.2154638767 . . . . . . . . . . 1 18729 5 >> 65 2 2.219 . 51.5539646149 . . . . . . . . . . 1 18729 5 >> 65 3 119.245 . 36.0757540834 . . . . . . . . . . 1 18729 5 >> 66 1 8.709 . 24.8588621616 . . . . . . . . . . 1 18729 5 >> 66 2 2.047 . 54.5685291290 . . . . . . . . . . 1 18729 5 >> 66 3 119.247 . 38.7710668555 . . . . . . . . . . 1 18729 5 >> 67 1 8.998 . 25.6557762623 . . . . . . . . . . 1 18729 5 >> 67 2 3.986 . 34.8159074783 . . . . . . . . . . 1 18729 5 >> 67 3 129.803 . 37.7416763013 . . . . . . . . . . 1 18729 5 >> 68 1 8.997 . 24.0910053253 . . . . . . . . . . 1 18729 5 >> 68 2 2.149 . 40.2588844299 . . . . . . . . . . 1 18729 5 >> 68 3 129.834 . 34.8924816346 . . . . . . . . . . 1 18729 5 >> 69 1 8.813 . 26.2962281704 . . . . . . . . . . 1 18729 5 >> 69 2 3.058 . 101.9241809840 . . . . . . . . . . 1 18729 5 >> 69 3 121.943 . 36.2748169714 . . . . . . . . . . 1 18729 5 >> 70 1 8.811 . 26.3962149620 . . . . . . . . . . 1 18729 5 >> 70 2 4.836 . 34.3192219734 . . . . . . . . . . 1 18729 5 >> 70 3 121.903 . 36.2055859829 . . . . . . . . . . 1 18729 5 >> 71 1 8.809 . 28.1107425690 . . . . . . . . . . 1 18729 5 >> 71 2 3.122 . 99.4441509247 . . . . . . . . . . 1 18729 5 >> 71 3 121.881 . 37.8776634766 . . . . . . . . . . 1 18729 5 >> 72 1 8.263 . 26.1652469635 . . . . . . . . . . 1 18729 5 >> 72 2 4.481 . 34.6794128418 . . . . . . . . . . 1 18729 5 >> 72 3 118.075 . 35.7210325202 . . . . . . . . . . 1 18729 5 >> 73 1 8.263 . 25.5721807480 . . . . . . . . . . 1 18729 5 >> 73 2 2.153 . 48.8131046295 . . . . . . . . . . 1 18729 5 >> 73 3 118.082 . 34.6701936855 . . . . . . . . . . 1 18729 5 >> 74 1 8.262 . 25.4407525063 . . . . . . . . . . 1 18729 5 >> 74 2 1.938 . 48.4960079193 . . . . . . . . . . 1 18729 5 >> 74 3 118.077 . 33.3812662452 . . . . . . . . . . 1 18729 5 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 . 1 . . 8.611 . 1 1 1 18 ASP H . . . . . . 56 . 18729 5 >> 1 2 . 1 . . 4.420 . 1 1 1 17 GLY HA3 . . . . . . 157 . 18729 5 >> 1 3 . 1 . . 119.853 . 1 1 1 18 ASP N . . . . . . 57 . 18729 5 >> 2 1 . 1 . . 8.611 . 1 1 1 18 ASP H . . . . . . 56 . 18729 5 >> 2 2 . 3 . . 3.833 . 1 1 1 17 GLY HA2 . . . . . . 156 . 18729 5 >> 2 3 . 1 . . 119.854 . 1 1 1 18 ASP N . . . . . . 57 . 18729 5 >> 3 1 . 1 . . 8.422 . 1 1 1 32 GLY H . . . . . . 44 . 18729 5 >> 3 2 . 1 . . 4.571 . 1 1 1 31 ASN HA . . . . . . 158 . 18729 5 >> 3 3 . 1 . . 114.571 . 1 1 1 32 GLY N . . . . . . 45 . 18729 5 >> 4 1 . 1 . . 8.423 . 1 1 1 32 GLY H . . . . . . 44 . 18729 5 >> 4 2 . 1 . . 2.961 . 1 1 1 31 ASN HB3 . . . . . . 160 . 18729 5 >> 4 3 . 1 . . 114.560 . 1 1 1 32 GLY N . . . . . . 45 . 18729 5 >> 5 1 . 1 . . 8.423 . 1 1 1 32 GLY H . . . . . . 44 . 18729 5 >> 5 2 . 1 . . 2.853 . 1 1 1 31 ASN HB2 . . . . . . 159 . 18729 5 >> 5 3 . 1 . . 114.550 . 1 1 1 32 GLY N . . . . . . 45 . 18729 5 >> 6 1 . 1 . . 8.697 . 1 1 1 31 ASN H . . . . . . 24 . 18729 5 >> 6 2 . 1 . . 4.770 . 1 1 1 30 ARG HA . . . . . . 161 . 18729 5 >> 6 3 . 1 . . 115.751 . 1 1 1 31 ASN N . . . . . . 25 . 18729 5 >> 7 1 . 1 . . 8.696 . 1 1 1 31 ASN H . . . . . . 24 . 18729 5 >> 7 2 . 1 . . 2.091 . 1 1 1 30 ARG HB3 . . . . . . 163 . 18729 5 >> 7 3 . 1 . . 115.743 . 1 1 1 31 ASN N . . . . . . 25 . 18729 5 >> 8 1 . 1 . . 8.699 . 1 1 1 31 ASN H . . . . . . 24 . 18729 5 >> 8 2 . 1 . . 1.791 . 1 1 1 30 ARG HB2 . . . . . . 162 . 18729 5 >> 8 3 . 1 . . 115.755 . 1 1 1 31 ASN N . . . . . . 25 . 18729 5 >> 9 1 . 1 . . 9.620 . 1 1 1 30 ARG H . . . . . . 59 . 18729 5 >> 9 2 . 1 . . 5.272 . 1 1 1 29 CYS HA . . . . . . 164 . 18729 5 >> 9 3 . 1 . . 125.143 . 1 1 1 30 ARG N . . . . . . 60 . 18729 5 >> 10 1 . 1 . . 9.621 . 1 1 1 30 ARG H . . . . . . 59 . 18729 5 >> 10 2 . 1 . . 3.687 . 1 1 1 29 CYS HB2 . . . . . . 165 . 18729 5 >> 10 3 . 1 . . 125.144 . 1 1 1 30 ARG N . . . . . . 60 . 18729 5 >> 11 1 . 1 . . 9.620 . 1 1 1 30 ARG H . . . . . . 59 . 18729 5 >> 11 2 . 1 . . 2.768 . 1 1 1 29 CYS HB3 . . . . . . 166 . 18729 5 >> 11 3 . 1 . . 125.125 . 1 1 1 30 ARG N . . . . . . 60 . 18729 5 >> 12 1 . 1 . . 8.995 . 1 1 1 29 CYS H . . . . . . 61 . 18729 5 >> 12 2 . 1 . . 5.053 . 1 1 1 28 GLU HA . . . . . . 167 . 18729 5 >> 12 3 . 1 . . 125.086 . 1 1 1 29 CYS N . . . . . . 62 . 18729 5 >> 13 1 . 1 . . 8.995 . 1 1 1 29 CYS H . . . . . . 61 . 18729 5 >> 13 2 . 1 . . 1.919 . 1 1 1 28 GLU HB3 . . . . . . 168 . 18729 5 >> 13 2 . 2 . . 1.919 . 1 1 1 28 GLU HB2 . . . . . . 169 . 18729 5 >> 13 3 . 1 . . 125.103 . 1 1 1 29 CYS N . . . . . . 62 . 18729 5 >> 14 1 . 1 . . 7.875 . 1 1 1 28 GLU H . . . . . . 22 . 18729 5 >> 14 2 . 1 . . 4.342 . 1 1 1 27 ASN HA . . . . . . 170 . 18729 5 >> 14 3 . 1 . . 121.227 . 1 1 1 28 GLU N . . . . . . 23 . 18729 5 >> 15 1 . 1 . . 7.876 . 1 1 1 28 GLU H . . . . . . 22 . 18729 5 >> 15 2 . 1 . . 3.295 . 1 1 1 27 ASN HB2 . . . . . . 171 . 18729 5 >> 15 3 . 1 . . 121.215 . 1 1 1 28 GLU N . . . . . . 23 . 18729 5 >> 16 1 . 1 . . 7.875 . 1 1 1 28 GLU H . . . . . . 22 . 18729 5 >> 16 2 . 1 . . 2.916 . 1 1 1 27 ASN HB3 . . . . . . 172 . 18729 5 >> 16 3 . 1 . . 121.203 . 1 1 1 28 GLU N . . . . . . 23 . 18729 5 >> 17 1 . 1 . . 8.372 . 1 1 1 27 ASN H . . . . . . 1 . 18729 5 >> 17 2 . 1 . . 3.792 . 1 1 1 26 ARG HA . . . . . . 173 . 18729 5 >> 17 3 . 1 . . 106.045 . 1 1 1 27 ASN N . . . . . . 2 . 18729 5 >> 18 1 . 1 . . 8.379 . 1 1 1 27 ASN H . . . . . . 1 . 18729 5 >> 18 2 . 1 . . 2.011 . 1 1 1 26 ARG HB3 . . . . . . 176 . 18729 5 >> 18 3 . 1 . . 106.107 . 1 1 1 27 ASN N . . . . . . 2 . 18729 5 >> 19 1 . 1 . . 8.376 . 1 1 1 27 ASN H . . . . . . 1 . 18729 5 >> 19 2 . 1 . . 1.840 . 1 1 1 26 ARG HB2 . . . . . . 174 . 18729 5 >> 19 3 . 1 . . 106.097 . 1 1 1 27 ASN N . . . . . . 2 . 18729 5 >> 20 1 . 1 . . 9.278 . 1 1 1 26 ARG H . . . . . . 26 . 18729 5 >> 20 2 . 1 . . 4.304 . 1 1 1 25 ILE HA . . . . . . 177 . 18729 5 >> 20 3 . 1 . . 128.830 . 1 1 1 26 ARG N . . . . . . 27 . 18729 5 >> 21 1 . 1 . . 9.278 . 1 1 1 26 ARG H . . . . . . 26 . 18729 5 >> 21 2 . 1 . . 1.791 . 1 1 1 25 ILE HB . . . . . . 178 . 18729 5 >> 21 3 . 1 . . 128.852 . 1 1 1 26 ARG N . . . . . . 27 . 18729 5 >> 22 1 . 1 . . 8.769 . 1 1 1 25 ILE H . . . . . . 12 . 18729 5 >> 22 2 . 1 . . 3.459 . 1 1 1 24 CYS HB2 . . . . . . 181 . 18729 5 >> 22 3 . 1 . . 132.489 . 1 1 1 25 ILE N . . . . . . 13 . 18729 5 >> 23 1 . 1 . . 8.769 . 1 1 1 25 ILE H . . . . . . 12 . 18729 5 >> 23 2 . 1 . . 2.707 . 1 1 1 24 CYS HB3 . . . . . . 180 . 18729 5 >> 23 3 . 1 . . 132.481 . 1 1 1 25 ILE N . . . . . . 13 . 18729 5 >> 24 1 . 1 . . 8.768 . 1 1 1 25 ILE H . . . . . . 12 . 18729 5 >> 24 2 . 1 . . 4.710 . 1 1 1 24 CYS HA . . . . . . 179 . 18729 5 >> 24 3 . 1 . . 132.494 . 1 1 1 25 ILE N . . . . . . 13 . 18729 5 >> 25 1 . 1 . . 10.617 . 1 1 1 24 CYS H . . . . . . 40 . 18729 5 >> 25 2 . 1 . . 1.664 . 1 1 1 23 ARG HB2 . . . . . . 183 . 18729 5 >> 25 2 . 2 . . 1.664 . 1 1 1 23 ARG HB3 . . . . . . 184 . 18729 5 >> 25 3 . 1 . . 127.186 . 1 1 1 24 CYS N . . . . . . 41 . 18729 5 >> 26 1 . 1 . . 10.618 . 1 1 1 24 CYS H . . . . . . 40 . 18729 5 >> 26 2 . 1 . . 4.869 . 1 1 1 23 ARG HA . . . . . . 182 . 18729 5 >> 26 3 . 1 . . 127.187 . 1 1 1 24 CYS N . . . . . . 41 . 18729 5 >> 27 1 . 1 . . 9.155 . 1 1 1 23 ARG H . . . . . . 52 . 18729 5 >> 27 2 . 1 . . 3.826 . 1 1 1 22 GLY HA2 . . . . . . 185 . 18729 5 >> 27 3 . 1 . . 125.362 . 1 1 1 23 ARG N . . . . . . 53 . 18729 5 >> 28 1 . 1 . . 9.152 . 1 1 1 23 ARG H . . . . . . 52 . 18729 5 >> 28 2 . 1 . . 4.271 . 1 1 1 22 GLY HA3 . . . . . . 186 . 18729 5 >> 28 3 . 1 . . 125.343 . 1 1 1 23 ARG N . . . . . . 53 . 18729 5 >> 29 1 . 1 . . 8.882 . 1 1 1 22 GLY H . . . . . . 16 . 18729 5 >> 29 2 . 1 . . 4.564 . 1 1 1 21 CYS HA . . . . . . 189 . 18729 5 >> 29 3 . 1 . . 109.368 . 1 1 1 22 GLY N . . . . . . 17 . 18729 5 >> 30 1 . 1 . . 8.885 . 1 1 1 22 GLY H . . . . . . 16 . 18729 5 >> 30 2 . 1 . . 2.744 . 1 1 1 21 CYS HB2 . . . . . . 187 . 18729 5 >> 30 3 . 1 . . 109.387 . 1 1 1 22 GLY N . . . . . . 17 . 18729 5 >> 31 1 . 1 . . 8.883 . 1 1 1 22 GLY H . . . . . . 16 . 18729 5 >> 31 2 . 1 . . 3.278 . 1 1 1 21 CYS HB3 . . . . . . 188 . 18729 5 >> 31 3 . 1 . . 109.348 . 1 1 1 22 GLY N . . . . . . 17 . 18729 5 >> 32 1 . 1 . . 9.264 . 1 1 1 21 CYS H . . . . . . 3 . 18729 5 >> 32 2 . 1 . . 3.050 . 1 1 1 20 CYS HB2 . . . . . . 191 . 18729 5 >> 32 3 . 1 . . 122.651 . 1 1 1 21 CYS N . . . . . . 4 . 18729 5 >> 33 1 . 1 . . 9.264 . 1 1 1 21 CYS H . . . . . . 3 . 18729 5 >> 33 2 . 1 . . 2.705 . 1 1 1 20 CYS HB3 . . . . . . 190 . 18729 5 >> 33 3 . 1 . . 122.622 . 1 1 1 21 CYS N . . . . . . 4 . 18729 5 >> 34 1 . 1 . . 9.263 . 1 1 1 21 CYS H . . . . . . 3 . 18729 5 >> 34 2 . 1 . . 4.866 . 1 1 1 20 CYS HA . . . . . . 192 . 18729 5 >> 34 3 . 1 . . 122.632 . 1 1 1 21 CYS N . . . . . . 4 . 18729 5 >> 35 1 . 1 . . 9.452 . 1 1 1 20 CYS H . . . . . . 30 . 18729 5 >> 35 2 . 1 . . 3.635 . 1 1 1 19 TRP HB3 . . . . . . 194 . 18729 5 >> 35 3 . 1 . . 120.723 . 1 1 1 20 CYS N . . . . . . 31 . 18729 5 >> 36 1 . 1 . . 9.451 . 1 1 1 20 CYS H . . . . . . 30 . 18729 5 >> 36 2 . 2 . . 3.043 . 1 1 1 19 TRP HB2 . . . . . . 193 . 18729 5 >> 36 3 . 1 . . 120.736 . 1 1 1 20 CYS N . . . . . . 31 . 18729 5 >> 37 1 . 1 . . 9.451 . 1 1 1 20 CYS H . . . . . . 30 . 18729 5 >> 37 2 . 1 . . 4.894 . 1 1 1 19 TRP HA . . . . . . 195 . 18729 5 >> 37 3 . 1 . . 120.746 . 1 1 1 20 CYS N . . . . . . 31 . 18729 5 >> 38 1 . 1 . . 8.225 . 1 1 1 19 TRP H . . . . . . 46 . 18729 5 >> 38 2 . 1 . . 4.897 . 1 1 1 18 ASP HA . . . . . . 198 . 18729 5 >> 38 3 . 1 . . 126.902 . 1 1 1 19 TRP N . . . . . . 47 . 18729 5 >> 39 1 . 1 . . 8.224 . 1 1 1 19 TRP H . . . . . . 46 . 18729 5 >> 39 2 . 1 . . 3.161 . 1 1 1 18 ASP HB3 . . . . . . 197 . 18729 5 >> 39 3 . 1 . . 126.882 . 1 1 1 19 TRP N . . . . . . 47 . 18729 5 >> 40 1 . 1 . . 8.226 . 1 1 1 19 TRP H . . . . . . 46 . 18729 5 >> 40 2 . 1 . . 2.363 . 1 1 1 18 ASP HB2 . . . . . . 196 . 18729 5 >> 40 3 . 1 . . 126.878 . 1 1 1 19 TRP N . . . . . . 47 . 18729 5 >> 41 1 . 1 . . 7.663 . 1 1 1 17 GLY H . . . . . . 20 . 18729 5 >> 41 2 . 1 . . 4.815 . 1 1 1 16 MET HA . . . . . . 201 . 18729 5 >> 41 3 . 1 . . 109.233 . 1 1 1 17 GLY N . . . . . . 21 . 18729 5 >> 42 1 . 1 . . 7.665 . 1 1 1 17 GLY H . . . . . . 20 . 18729 5 >> 42 2 . 1 . . 2.299 . 1 1 1 16 MET HB3 . . . . . . 200 . 18729 5 >> 42 3 . 1 . . 109.283 . 1 1 1 17 GLY N . . . . . . 21 . 18729 5 >> 43 1 . 1 . . 7.664 . 1 1 1 17 GLY H . . . . . . 20 . 18729 5 >> 43 2 . 1 . . 1.740 . 1 1 1 16 MET HB2 . . . . . . 199 . 18729 5 >> 43 3 . 1 . . 109.253 . 1 1 1 17 GLY N . . . . . . 21 . 18729 5 >> 44 1 . 1 . . 7.931 . 1 1 1 16 MET H . . . . . . 38 . 18729 5 >> 44 2 . 1 . . 4.428 . 1 1 1 15 LYS HA . . . . . . 204 . 18729 5 >> 44 3 . 1 . . 114.888 . 1 1 1 16 MET N . . . . . . 39 . 18729 5 >> 45 1 . 1 . . 7.932 . 1 1 1 16 MET H . . . . . . 38 . 18729 5 >> 45 2 . 1 . . 1.917 . 1 1 1 15 LYS HB3 . . . . . . 203 . 18729 5 >> 45 3 . 1 . . 114.856 . 1 1 1 16 MET N . . . . . . 39 . 18729 5 >> 46 1 . 1 . . 7.931 . 1 1 1 16 MET H . . . . . . 38 . 18729 5 >> 46 2 . 1 . . 1.826 . 1 1 1 15 LYS HB2 . . . . . . 202 . 18729 5 >> 46 3 . 1 . . 114.877 . 1 1 1 16 MET N . . . . . . 39 . 18729 5 >> 47 1 . 1 . . 7.457 . 1 1 1 15 LYS H . . . . . . 18 . 18729 5 >> 47 2 . 1 . . 4.109 . 1 1 1 14 GLU HA . . . . . . 205 . 18729 5 >> 47 3 . 1 . . 116.315 . 1 1 1 15 LYS N . . . . . . 19 . 18729 5 >> 48 1 . 1 . . 7.456 . 1 1 1 15 LYS H . . . . . . 18 . 18729 5 >> 48 2 . 1 . . 2.094 . 1 1 1 14 GLU HB3 . . . . . . 206 . 18729 5 >> 48 2 . 2 . . 2.094 . 1 1 1 14 GLU HB2 . . . . . . 207 . 18729 5 >> 48 3 . 1 . . 116.310 . 1 1 1 15 LYS N . . . . . . 19 . 18729 5 >> 49 1 . 1 . . 8.741 . 1 1 1 14 GLU H . . . . . . 48 . 18729 5 >> 49 2 . 1 . . 4.202 . 1 1 1 13 PRO HA . . . . . . 208 . 18729 5 >> 49 3 . 1 . . 119.876 . 1 1 1 14 GLU N . . . . . . 49 . 18729 5 >> 50 1 . 1 . . 8.742 . 1 1 1 14 GLU H . . . . . . 48 . 18729 5 >> 50 2 . 1 . . 2.028 . 1 1 1 13 PRO HB3 . . . . . . 209 . 18729 5 >> 50 2 . 2 . . 2.028 . 1 1 1 13 PRO HB2 . . . . . . 210 . 18729 5 >> 50 3 . 1 . . 119.854 . 1 1 1 14 GLU N . . . . . . 49 . 18729 5 >> 51 1 . 1 . . 8.122 . 1 1 1 12 ASP H . . . . . . 14 . 18729 5 >> 51 2 . 1 . . 4.093 . 1 1 1 11 PRO HA . . . . . . 213 . 18729 5 >> 51 3 . 1 . . 117.079 . 1 1 1 12 ASP N . . . . . . 15 . 18729 5 >> 52 1 . 1 . . 8.122 . 1 1 1 12 ASP H . . . . . . 14 . 18729 5 >> 52 2 . 1 . . 1.958 . 1 1 1 11 PRO HB3 . . . . . . 212 . 18729 5 >> 52 3 . 1 . . 117.091 . 1 1 1 12 ASP N . . . . . . 15 . 18729 5 >> 53 1 . 1 . . 8.122 . 1 1 1 12 ASP H . . . . . . 14 . 18729 5 >> 53 2 . 1 . . 1.688 . 1 1 1 11 PRO HB2 . . . . . . 211 . 18729 5 >> 53 3 . 1 . . 117.088 . 1 1 1 12 ASP N . . . . . . 15 . 18729 5 >> 54 1 . 1 . . 6.940 . 1 1 1 10 CYS H . . . . . . 9 . 18729 5 >> 54 2 . 1 . . 4.726 . 1 1 1 9 PHE HA . . . . . . 216 . 18729 5 >> 54 3 . 1 . . 122.544 . 1 1 1 10 CYS N . . . . . . 10 . 18729 5 >> 55 1 . 1 . . 6.939 . 1 1 1 10 CYS H . . . . . . 9 . 18729 5 >> 55 2 . 1 . . 3.402 . 1 1 1 9 PHE HB2 . . . . . . 215 . 18729 5 >> 55 3 . 1 . . 122.522 . 1 1 1 10 CYS N . . . . . . 10 . 18729 5 >> 56 1 . 1 . . 6.939 . 1 1 1 10 CYS H . . . . . . 9 . 18729 5 >> 56 2 . 1 . . 2.855 . 1 1 1 9 PHE HB3 . . . . . . 214 . 18729 5 >> 56 3 . 1 . . 122.547 . 1 1 1 10 CYS N . . . . . . 10 . 18729 5 >> 57 1 . 1 . . 8.435 . 1 1 1 9 PHE H . . . . . . 36 . 18729 5 >> 57 2 . 1 . . 4.306 . 1 1 1 8 GLY HA2 . . . . . . 218 . 18729 5 >> 57 3 . 1 . . 120.607 . 1 1 1 9 PHE N . . . . . . 37 . 18729 5 >> 58 1 . 1 . . 8.435 . 1 1 1 9 PHE H . . . . . . 36 . 18729 5 >> 58 2 . 1 . . 3.584 . 1 1 1 8 GLY HA3 . . . . . . 217 . 18729 5 >> 58 3 . 1 . . 120.596 . 1 1 1 9 PHE N . . . . . . 37 . 18729 5 >> 59 1 . 1 . . 8.328 . 1 1 1 8 GLY H . . . . . . 28 . 18729 5 >> 59 2 . 1 . . 4.528 . 1 1 1 7 GLY HA2 . . . . . . 220 . 18729 5 >> 59 3 . 1 . . 108.212 . 1 1 1 8 GLY N . . . . . . 29 . 18729 5 >> 60 1 . 1 . . 8.327 . 1 1 1 8 GLY H . . . . . . 28 . 18729 5 >> 60 2 . 1 . . 3.862 . 1 1 1 7 GLY HA3 . . . . . . 219 . 18729 5 >> 60 3 . 1 . . 108.207 . 1 1 1 8 GLY N . . . . . . 29 . 18729 5 >> 61 1 . 1 . . 9.569 . 1 1 1 7 GLY H . . . . . . 50 . 18729 5 >> 61 2 . 1 . . 4.112 . 1 1 1 6 ASN HA . . . . . . 223 . 18729 5 >> 61 3 . 1 . . 113.143 . 1 1 1 7 GLY N . . . . . . 51 . 18729 5 >> 62 1 . 1 . . 9.567 . 1 1 1 7 GLY H . . . . . . 50 . 18729 5 >> 62 2 . 1 . . 2.877 . 1 1 1 6 ASN HB2 . . . . . . 222 . 18729 5 >> 62 3 . 1 . . 113.157 . 1 1 1 7 GLY N . . . . . . 51 . 18729 5 >> 63 1 . 1 . . 9.568 . 1 1 1 7 GLY H . . . . . . 50 . 18729 5 >> 63 2 . 1 . . 2.783 . 1 1 1 6 ASN HB3 . . . . . . 221 . 18729 5 >> 63 3 . 1 . . 113.150 . 1 1 1 7 GLY N . . . . . . 51 . 18729 5 >> 64 1 . 1 . . 8.709 . 1 1 1 6 ASN H . . . . . . 63 . 18729 5 >> 64 2 . 1 . . 4.111 . 1 1 1 5 GLU HA . . . . . . 226 . 18729 5 >> 64 3 . 1 . . 119.238 . 1 1 1 6 ASN N . . . . . . 64 . 18729 5 >> 65 1 . 1 . . 8.711 . 1 1 1 6 ASN H . . . . . . 63 . 18729 5 >> 65 2 . 1 . . 2.219 . 1 1 1 5 GLU HB3 . . . . . . 225 . 18729 5 >> 65 3 . 1 . . 119.245 . 1 1 1 6 ASN N . . . . . . 64 . 18729 5 >> 66 1 . 1 . . 8.709 . 1 1 1 6 ASN H . . . . . . 63 . 18729 5 >> 66 2 . 1 . . 2.047 . 1 1 1 5 GLU HB2 . . . . . . 224 . 18729 5 >> 66 3 . 1 . . 119.247 . 1 1 1 6 ASN N . . . . . . 64 . 18729 5 >> 67 1 . 1 . . 8.998 . 1 1 1 5 GLU H . . . . . . 5 . 18729 5 >> 67 2 . 1 . . 3.986 . 1 1 1 4 VAL HA . . . . . . 228 . 18729 5 >> 67 3 . 1 . . 129.803 . 1 1 1 5 GLU N . . . . . . 6 . 18729 5 >> 68 1 . 1 . . 8.997 . 1 1 1 5 GLU H . . . . . . 5 . 18729 5 >> 68 2 . 1 . . 2.149 . 1 1 1 4 VAL HB . . . . . . 227 . 18729 5 >> 68 3 . 1 . . 129.834 . 1 1 1 5 GLU N . . . . . . 6 . 18729 5 >> 69 1 . 1 . . 8.813 . 1 1 1 4 VAL H . . . . . . 42 . 18729 5 >> 69 2 . 1 . . 3.058 . 1 1 1 3 CYS HB3 . . . . . . 229 . 18729 5 >> 69 3 . 1 . . 121.943 . 1 1 1 4 VAL N . . . . . . 43 . 18729 5 >> 70 1 . 1 . . 8.811 . 1 1 1 4 VAL H . . . . . . 42 . 18729 5 >> 70 2 . 1 . . 4.836 . 1 1 1 3 CYS HA . . . . . . 231 . 18729 5 >> 70 3 . 1 . . 121.903 . 1 1 1 4 VAL N . . . . . . 43 . 18729 5 >> 71 1 . 1 . . 8.809 . 1 1 1 4 VAL H . . . . . . 42 . 18729 5 >> 71 2 . 1 . . 3.122 . 1 1 1 3 CYS HB2 . . . . . . 230 . 18729 5 >> 71 3 . 1 . . 121.881 . 1 1 1 4 VAL N . . . . . . 43 . 18729 5 >> 72 1 . 1 . . 8.263 . 1 1 1 3 CYS H . . . . . . 54 . 18729 5 >> 72 2 . 1 . . 4.481 . 1 1 1 2 GLU HA . . . . . . 234 . 18729 5 >> 72 3 . 1 . . 118.075 . 1 1 1 3 CYS N . . . . . . 55 . 18729 5 >> 73 1 . 1 . . 8.263 . 1 1 1 3 CYS H . . . . . . 54 . 18729 5 >> 73 2 . 1 . . 2.153 . 1 1 1 2 GLU HB3 . . . . . . 233 . 18729 5 >> 73 3 . 1 . . 118.082 . 1 1 1 3 CYS N . . . . . . 55 . 18729 5 >> 74 1 . 1 . . 8.262 . 1 1 1 3 CYS H . . . . . . 54 . 18729 5 >> 74 2 . 1 . . 1.938 . 1 1 1 2 GLU HB2 . . . . . . 232 . 18729 5 >> 74 3 . 1 . . 118.077 . 1 1 1 3 CYS N . . . . . . 55 . 18729 5 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5_6 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label 'HNCACO (HNcaCO)' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 C 13C 3 N 15N stop_ _Sample_label $13C_15N _Sample_conditions_label $Standard _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4_5_6 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6 >> _Spectral_peak_list.Entry_ID 18729 >> _Spectral_peak_list.ID 6 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $13C_15N >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Standard >> _Spectral_peak_list.Experiment_ID 6 >> _Spectral_peak_list.Experiment_name 'HNCACO (HNcaCO)' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . 2968.75000000 . . . 18729 6 >> 2 C 13 13C . 2500.00000000 . . . 18729 6 >> 3 N 15 15N . 2129.24518258 . . . 18729 6 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18729 6 >> 2 1.0 . 18729 6 >> 3 1.0 . 18729 6 >> 4 1.0 . 18729 6 >> 5 1.0 . 18729 6 >> 6 1.0 . 18729 6 >> 7 1.0 . 18729 6 >> 8 1.0 . 18729 6 >> 9 1.0 . 18729 6 >> 10 1.0 . 18729 6 >> 11 1.0 . 18729 6 >> 12 1.0 . 18729 6 >> 13 1.0 . 18729 6 >> 14 1.0 . 18729 6 >> 15 1.0 . 18729 6 >> 16 1.0 . 18729 6 >> 17 1.0 . 18729 6 >> 18 1.0 . 18729 6 >> 19 1.0 . 18729 6 >> 20 1.0 . 18729 6 >> 21 1.0 . 18729 6 >> 22 1.0 . 18729 6 >> 23 1.0 . 18729 6 >> 24 1.0 . 18729 6 >> 25 1.0 . 18729 6 >> 26 1.0 . 18729 6 >> 27 1.0 . 18729 6 >> 28 1.0 . 18729 6 >> 29 1.0 . 18729 6 >> 30 1.0 . 18729 6 >> 31 1.0 . 18729 6 >> 32 1.0 . 18729 6 >> 33 1.0 . 18729 6 >> 34 1.0 . 18729 6 >> 35 1.0 . 18729 6 >> 36 1.0 . 18729 6 >> 37 1.0 . 18729 6 >> 38 1.0 . 18729 6 >> 39 1.0 . 18729 6 >> 40 1.0 . 18729 6 >> 41 1.0 . 18729 6 >> 42 1.0 . 18729 6 >> 43 1.0 . 18729 6 >> 44 1.0 . 18729 6 >> 45 1.0 . 18729 6 >> 46 1.0 . 18729 6 >> 47 1.0 . 18729 6 >> 48 1.0 . 18729 6 >> 49 1.0 . 18729 6 >> 50 1.0 . 18729 6 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 67750.50000 . height 18729 6 >> 1 1481630.65625 . volume 18729 6 >> 2 70195.37500 . height 18729 6 >> 2 1557916.43750 . volume 18729 6 >> 3 76512.78125 . height 18729 6 >> 3 1678722.03125 . volume 18729 6 >> 4 101743.68750 . height 18729 6 >> 4 2351368.31250 . volume 18729 6 >> 5 310886.90625 . height 18729 6 >> 5 6794442.81250 . volume 18729 6 >> 6 75726.50000 . height 18729 6 >> 6 1630312.00000 . volume 18729 6 >> 7 138462.15625 . height 18729 6 >> 7 3114574.25000 . volume 18729 6 >> 8 106777.09375 . height 18729 6 >> 8 2370584.59375 . volume 18729 6 >> 9 376418.18750 . height 18729 6 >> 9 8084156.65625 . volume 18729 6 >> 10 272921.09375 . height 18729 6 >> 10 6223883.25000 . volume 18729 6 >> 11 164150.21875 . height 18729 6 >> 11 3568742.59375 . volume 18729 6 >> 12 216119.65625 . height 18729 6 >> 12 4698013.09375 . volume 18729 6 >> 13 84426.46875 . height 18729 6 >> 13 1871186.53125 . volume 18729 6 >> 14 111308.18750 . height 18729 6 >> 14 2445588.37500 . volume 18729 6 >> 15 92745.56250 . height 18729 6 >> 15 1969444.53125 . volume 18729 6 >> 16 226463.31250 . height 18729 6 >> 16 4859381.93750 . volume 18729 6 >> 17 37767.03125 . height 18729 6 >> 17 860378.62500 . volume 18729 6 >> 18 103017.06250 . height 18729 6 >> 18 2262484.12500 . volume 18729 6 >> 19 152090.25000 . height 18729 6 >> 19 3267304.90625 . volume 18729 6 >> 20 35485.96875 . height 18729 6 >> 20 856453.31250 . volume 18729 6 >> 21 104474.06250 . height 18729 6 >> 21 2159094.40625 . volume 18729 6 >> 22 185113.06250 . height 18729 6 >> 22 3941804.37500 . volume 18729 6 >> 23 216656.28125 . height 18729 6 >> 23 4713704.53125 . volume 18729 6 >> 24 74288.15625 . height 18729 6 >> 24 1643145.43750 . volume 18729 6 >> 25 210051.31250 . height 18729 6 >> 25 4514761.34375 . volume 18729 6 >> 26 86182.12500 . height 18729 6 >> 26 1915559.96875 . volume 18729 6 >> 27 191585.40625 . height 18729 6 >> 27 3924072.12500 . volume 18729 6 >> 28 61612.09375 . height 18729 6 >> 28 1344783.03125 . volume 18729 6 >> 29 51406.46875 . height 18729 6 >> 29 1146040.15625 . volume 18729 6 >> 30 123732.75000 . height 18729 6 >> 30 2691931.21875 . volume 18729 6 >> 31 81116.87500 . height 18729 6 >> 31 1828735.87500 . volume 18729 6 >> 32 45593.75000 . height 18729 6 >> 32 1044591.46875 . volume 18729 6 >> 33 261606.06250 . height 18729 6 >> 33 5618844.40625 . volume 18729 6 >> 34 113846.75000 . height 18729 6 >> 34 2393743.56250 . volume 18729 6 >> 35 54916.28125 . height 18729 6 >> 35 1189576.68750 . volume 18729 6 >> 36 64029.25000 . height 18729 6 >> 36 1448406.46875 . volume 18729 6 >> 37 224133.21875 . height 18729 6 >> 37 4846921.06250 . volume 18729 6 >> 38 75247.31250 . height 18729 6 >> 38 1699872.81250 . volume 18729 6 >> 39 121230.87500 . height 18729 6 >> 39 2662043.50000 . volume 18729 6 >> 40 120270.03125 . height 18729 6 >> 40 2693662.75000 . volume 18729 6 >> 41 150508.25000 . height 18729 6 >> 41 3196683.53125 . volume 18729 6 >> 42 56742.81250 . height 18729 6 >> 42 1280424.81250 . volume 18729 6 >> 43 43949.96875 . height 18729 6 >> 43 995807.18750 . volume 18729 6 >> 44 285183.90625 . height 18729 6 >> 44 6185787.68750 . volume 18729 6 >> 45 206987.96875 . height 18729 6 >> 45 4606549.50000 . volume 18729 6 >> 46 224105.87500 . height 18729 6 >> 46 4852501.68750 . volume 18729 6 >> 47 73247.09375 . height 18729 6 >> 47 1637814.15625 . volume 18729 6 >> 48 199996.18750 . height 18729 6 >> 48 4396569.84375 . volume 18729 6 >> 49 163364.90625 . height 18729 6 >> 49 3455492.06250 . volume 18729 6 >> 50 49473.50000 . height 18729 6 >> 50 1030133.71875 . volume 18729 6 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 10.610 . 32.3849357665 . . . . . . . . . . 1 18729 6 >> 1 2 174.719 . 43.5094535351 . . . . . . . . . . 1 18729 6 >> 1 3 127.330 . 36.1503154138 . . . . . . . . . . 1 18729 6 >> 2 1 10.609 . 29.9357809126 . . . . . . . . . . 1 18729 6 >> 2 2 174.019 . 44.6186959743 . . . . . . . . . . 1 18729 6 >> 2 3 127.172 . 43.0230298363 . . . . . . . . . . 1 18729 6 >> 3 1 8.222 . 24.2310762405 . . . . . . . . . . 1 18729 6 >> 3 2 177.653 . 115.5661046500 . . . . . . . . . . 1 18729 6 >> 3 3 126.961 . 36.0317787626 . . . . . . . . . . 1 18729 6 >> 4 1 8.226 . 26.3595581055 . . . . . . . . . . 1 18729 6 >> 4 2 177.210 . 106.5191626550 . . . . . . . . . . 1 18729 6 >> 4 3 126.945 . 37.9546361521 . . . . . . . . . . 1 18729 6 >> 5 1 8.262 . 25.5967676640 . . . . . . . . . . 1 18729 6 >> 5 2 173.342 . 44.3263351917 . . . . . . . . . . 1 18729 6 >> 5 3 118.134 . 40.1065078747 . . . . . . . . . . 1 18729 6 >> 6 1 8.262 . 24.1123139858 . . . . . . . . . . 1 18729 6 >> 6 2 175.743 . 50.1920282841 . . . . . . . . . . 1 18729 6 >> 6 3 118.098 . 36.4873326270 . . . . . . . . . . 1 18729 6 >> 7 1 8.807 . 27.5477766991 . . . . . . . . . . 1 18729 6 >> 7 2 175.177 . 56.6387176514 . . . . . . . . . . 1 18729 6 >> 7 3 121.932 . 38.6290513173 . . . . . . . . . . 1 18729 6 >> 8 1 8.808 . 30.5736064911 . . . . . . . . . . 1 18729 6 >> 8 2 173.341 . 50.3349304199 . . . . . . . . . . 1 18729 6 >> 8 3 121.937 . 35.7871541426 . . . . . . . . . . 1 18729 6 >> 9 1 8.994 . 25.5026668310 . . . . . . . . . . 1 18729 6 >> 9 2 175.223 . 45.3682243824 . . . . . . . . . . 1 18729 6 >> 9 3 129.857 . 37.1384592746 . . . . . . . . . . 1 18729 6 >> 10 1 8.998 . 27.4897366762 . . . . . . . . . . 1 18729 6 >> 10 2 175.149 . 54.1967153549 . . . . . . . . . . 1 18729 6 >> 10 3 129.834 . 39.2955978826 . . . . . . . . . . 1 18729 6 >> 11 1 8.706 . 27.4737179279 . . . . . . . . . . 1 18729 6 >> 11 2 175.249 . 44.7067618370 . . . . . . . . . . 1 18729 6 >> 11 3 119.352 . 38.8897304196 . . . . . . . . . . 1 18729 6 >> 12 1 8.706 . 26.4917314053 . . . . . . . . . . 1 18729 6 >> 12 2 176.273 . 44.6489453316 . . . . . . . . . . 1 18729 6 >> 12 3 119.315 . 38.7322949637 . . . . . . . . . . 1 18729 6 >> 13 1 9.562 . 28.6607444286 . . . . . . . . . . 1 18729 6 >> 13 2 174.881 . 52.3862987757 . . . . . . . . . . 1 18729 6 >> 13 3 113.201 . 37.7591268255 . . . . . . . . . . 1 18729 6 >> 14 1 9.562 . 24.9622017145 . . . . . . . . . . 1 18729 6 >> 14 2 176.292 . 54.4124841690 . . . . . . . . . . 1 18729 6 >> 14 3 113.152 . 37.2216506823 . . . . . . . . . . 1 18729 6 >> 15 1 8.329 . 26.2017548084 . . . . . . . . . . 1 18729 6 >> 15 2 171.661 . 38.7242436409 . . . . . . . . . . 1 18729 6 >> 15 3 108.240 . 35.3938510569 . . . . . . . . . . 1 18729 6 >> 16 1 8.434 . 26.7729163170 . . . . . . . . . . 1 18729 6 >> 16 2 174.161 . 41.7062640190 . . . . . . . . . . 1 18729 6 >> 16 3 120.661 . 38.1623291175 . . . . . . . . . . 1 18729 6 >> 17 1 8.437 . 25.7535278797 . . . . . . . . . . 1 18729 6 >> 17 2 171.709 . 52.0801544189 . . . . . . . . . . 1 18729 6 >> 17 3 120.551 . 45.9964722347 . . . . . . . . . . 1 18729 6 >> 18 1 9.260 . 28.3045321703 . . . . . . . . . . 1 18729 6 >> 18 2 175.415 . 61.0291212797 . . . . . . . . . . 1 18729 6 >> 18 3 122.635 . 33.5433974784 . . . . . . . . . . 1 18729 6 >> 19 1 9.260 . 28.1447917223 . . . . . . . . . . 1 18729 6 >> 19 2 176.831 . 49.5075434446 . . . . . . . . . . 1 18729 6 >> 19 3 122.723 . 34.3011309643 . . . . . . . . . . 1 18729 6 >> 20 1 6.937 . 71.5106725693 . . . . . . . . . . 1 18729 6 >> 20 2 174.230 . 51.0473549366 . . . . . . . . . . 1 18729 6 >> 20 3 122.624 . 55.9201728393 . . . . . . . . . . 1 18729 6 >> 21 1 8.122 . 21.3949382305 . . . . . . . . . . 1 18729 6 >> 21 2 173.948 . 43.6687469482 . . . . . . . . . . 1 18729 6 >> 21 3 117.171 . 36.6846821908 . . . . . . . . . . 1 18729 6 >> 22 1 8.122 . 24.5586037636 . . . . . . . . . . 1 18729 6 >> 22 2 176.518 . 43.1031733751 . . . . . . . . . . 1 18729 6 >> 22 3 117.123 . 37.3970443139 . . . . . . . . . . 1 18729 6 >> 23 1 8.740 . 25.0823795795 . . . . . . . . . . 1 18729 6 >> 23 2 177.375 . 43.7810271978 . . . . . . . . . . 1 18729 6 >> 23 3 119.959 . 40.7792097157 . . . . . . . . . . 1 18729 6 >> 24 1 8.739 . 32.8359007835 . . . . . . . . . . 1 18729 6 >> 24 2 179.133 . 45.8967685699 . . . . . . . . . . 1 18729 6 >> 24 3 119.858 . 39.9107447222 . . . . . . . . . . 1 18729 6 >> 25 1 7.458 . 26.3184309006 . . . . . . . . . . 1 18729 6 >> 25 2 177.888 . 41.4735823870 . . . . . . . . . . 1 18729 6 >> 25 3 116.349 . 37.9765286279 . . . . . . . . . . 1 18729 6 >> 26 1 7.933 . 26.2662768364 . . . . . . . . . . 1 18729 6 >> 26 2 177.862 . 59.2121481895 . . . . . . . . . . 1 18729 6 >> 26 3 114.937 . 37.8691603121 . . . . . . . . . . 1 18729 6 >> 27 1 7.932 . 24.9627232552 . . . . . . . . . . 1 18729 6 >> 27 2 177.346 . 38.3961200714 . . . . . . . . . . 1 18729 6 >> 27 3 114.935 . 33.4043643935 . . . . . . . . . . 1 18729 6 >> 28 1 7.665 . 33.5021317005 . . . . . . . . . . 1 18729 6 >> 28 2 177.341 . 44.2497432232 . . . . . . . . . . 1 18729 6 >> 28 3 109.122 . 38.9524888500 . . . . . . . . . . 1 18729 6 >> 29 1 7.667 . 28.0658900738 . . . . . . . . . . 1 18729 6 >> 29 2 171.676 . 51.8365204334 . . . . . . . . . . 1 18729 6 >> 29 3 109.288 . 42.5173453753 . . . . . . . . . . 1 18729 6 >> 30 1 8.609 . 26.3895094395 . . . . . . . . . . 1 18729 6 >> 30 2 177.640 . 46.7312335968 . . . . . . . . . . 1 18729 6 >> 30 3 119.881 . 37.8586265412 . . . . . . . . . . 1 18729 6 >> 31 1 8.607 . 30.4217636585 . . . . . . . . . . 1 18729 6 >> 31 2 171.901 . 54.4932484627 . . . . . . . . . . 1 18729 6 >> 31 3 119.955 . 39.3416672663 . . . . . . . . . . 1 18729 6 >> 32 1 9.446 . 31.0949236155 . . . . . . . . . . 1 18729 6 >> 32 2 177.325 . 59.8315149546 . . . . . . . . . . 1 18729 6 >> 32 3 120.859 . 43.8980308443 . . . . . . . . . . 1 18729 6 >> 33 1 9.444 . 26.4494121075 . . . . . . . . . . 1 18729 6 >> 33 2 175.462 . 42.4499809742 . . . . . . . . . . 1 18729 6 >> 33 3 120.829 . 38.7364830895 . . . . . . . . . . 1 18729 6 >> 34 1 8.879 . 26.0058045387 . . . . . . . . . . 1 18729 6 >> 34 2 172.036 . 36.8425250053 . . . . . . . . . . 1 18729 6 >> 34 3 109.428 . 37.5903326648 . . . . . . . . . . 1 18729 6 >> 35 1 8.879 . 27.0825624466 . . . . . . . . . . 1 18729 6 >> 35 2 176.870 . 47.1893697977 . . . . . . . . . . 1 18729 6 >> 35 3 109.433 . 36.3912595596 . . . . . . . . . . 1 18729 6 >> 36 1 9.153 . 29.8333168030 . . . . . . . . . . 1 18729 6 >> 36 2 171.990 . 60.5334341526 . . . . . . . . . . 1 18729 6 >> 36 3 125.384 . 39.4093118434 . . . . . . . . . . 1 18729 6 >> 37 1 9.151 . 26.0784476995 . . . . . . . . . . 1 18729 6 >> 37 2 174.046 . 41.6938960552 . . . . . . . . . . 1 18729 6 >> 37 3 125.386 . 38.3162110121 . . . . . . . . . . 1 18729 6 >> 38 1 8.765 . 27.4111330509 . . . . . . . . . . 1 18729 6 >> 38 2 174.781 . 116.6721433400 . . . . . . . . . . 1 18729 6 >> 38 3 132.553 . 38.5566633704 . . . . . . . . . . 1 18729 6 >> 39 1 8.765 . 27.4625420570 . . . . . . . . . . 1 18729 6 >> 39 2 175.176 . 57.2482496500 . . . . . . . . . . 1 18729 6 >> 39 3 132.490 . 36.9172024927 . . . . . . . . . . 1 18729 6 >> 40 1 9.275 . 29.8179686069 . . . . . . . . . . 1 18729 6 >> 40 2 175.527 . 59.2433661222 . . . . . . . . . . 1 18729 6 >> 40 3 128.876 . 37.6221878034 . . . . . . . . . . 1 18729 6 >> 41 1 8.375 . 26.5294313431 . . . . . . . . . . 1 18729 6 >> 41 2 174.052 . 43.7830388546 . . . . . . . . . . 1 18729 6 >> 41 3 106.132 . 34.8273118591 . . . . . . . . . . 1 18729 6 >> 42 1 8.369 . 29.0609896183 . . . . . . . . . . 1 18729 6 >> 42 2 175.564 . 51.7231225967 . . . . . . . . . . 1 18729 6 >> 42 3 106.085 . 42.4390401143 . . . . . . . . . . 1 18729 6 >> 43 1 7.878 . 38.6719405651 . . . . . . . . . . 1 18729 6 >> 43 2 174.035 . 48.0413436890 . . . . . . . . . . 1 18729 6 >> 43 3 121.252 . 37.0440995314 . . . . . . . . . . 1 18729 6 >> 44 1 7.877 . 27.6014208794 . . . . . . . . . . 1 18729 6 >> 44 2 175.918 . 43.2409346104 . . . . . . . . . . 1 18729 6 >> 44 3 121.325 . 39.3857060435 . . . . . . . . . . 1 18729 6 >> 45 1 8.991 . 26.5357643366 . . . . . . . . . . 1 18729 6 >> 45 2 176.294 . 52.5644421577 . . . . . . . . . . 1 18729 6 >> 45 3 125.134 . 40.9912177197 . . . . . . . . . . 1 18729 6 >> 46 1 9.615 . 29.8274308443 . . . . . . . . . . 1 18729 6 >> 46 2 175.253 . 41.2914901972 . . . . . . . . . . 1 18729 6 >> 46 3 125.165 . 38.7562815023 . . . . . . . . . . 1 18729 6 >> 47 1 9.613 . 25.4782289267 . . . . . . . . . . 1 18729 6 >> 47 2 176.276 . 49.2985546589 . . . . . . . . . . 1 18729 6 >> 47 3 125.221 . 43.0076099186 . . . . . . . . . . 1 18729 6 >> 48 1 8.695 . 26.0658562183 . . . . . . . . . . 1 18729 6 >> 48 2 175.106 . 51.3150542974 . . . . . . . . . . 1 18729 6 >> 48 3 115.780 . 39.3721898194 . . . . . . . . . . 1 18729 6 >> 49 1 8.421 . 26.1914730072 . . . . . . . . . . 1 18729 6 >> 49 2 178.493 . 38.1665676832 . . . . . . . . . . 1 18729 6 >> 49 3 114.634 . 40.0641189652 . . . . . . . . . . 1 18729 6 >> 50 1 8.421 . 20.8301842213 . . . . . . . . . . 1 18729 6 >> 50 2 175.055 . 49.7651100159 . . . . . . . . . . 1 18729 6 >> 50 3 114.608 . 32.8863059245 . . . . . . . . . . 1 18729 6 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 . 1 . . 10.610 . 1 1 1 24 CYS H . . . . . . 40 . 18729 6 >> 1 2 . 1 . . 174.719 . 1 1 1 24 CYS C . . . . . . 129 . 18729 6 >> 1 3 . 1 . . 127.330 . 1 1 1 24 CYS N . . . . . . 41 . 18729 6 >> 2 1 . 1 . . 10.609 . 1 1 1 24 CYS H . . . . . . 40 . 18729 6 >> 2 2 . 1 . . 174.019 . 1 1 1 23 ARG C . . . . . . 130 . 18729 6 >> 2 3 . 1 . . 127.172 . 1 1 1 24 CYS N . . . . . . 41 . 18729 6 >> 3 1 . 1 . . 8.222 . 1 1 1 19 TRP H . . . . . . 46 . 18729 6 >> 3 2 . 1 . . 177.653 . 1 1 1 18 ASP C . . . . . . 136 . 18729 6 >> 3 3 . 1 . . 126.961 . 1 1 1 19 TRP N . . . . . . 47 . 18729 6 >> 4 1 . 1 . . 8.226 . 1 1 1 19 TRP H . . . . . . 46 . 18729 6 >> 4 2 . 1 . . 177.210 . 1 1 1 19 TRP C . . . . . . 135 . 18729 6 >> 4 3 . 1 . . 126.945 . 1 1 1 19 TRP N . . . . . . 47 . 18729 6 >> 5 1 . 1 . . 8.262 . 1 1 1 3 CYS H . . . . . . 54 . 18729 6 >> 5 2 . 1 . . 173.342 . 1 1 1 3 CYS C . . . . . . 151 . 18729 6 >> 5 3 . 1 . . 118.134 . 1 1 1 3 CYS N . . . . . . 55 . 18729 6 >> 6 1 . 1 . . 8.262 . 1 1 1 3 CYS H . . . . . . 54 . 18729 6 >> 6 2 . 1 . . 175.743 . 1 1 1 2 GLU C . . . . . . 154 . 18729 6 >> 6 3 . 1 . . 118.098 . 1 1 1 3 CYS N . . . . . . 55 . 18729 6 >> 7 1 . 1 . . 8.807 . 1 1 1 4 VAL H . . . . . . 42 . 18729 6 >> 7 2 . 1 . . 175.177 . 1 1 1 4 VAL C . . . . . . 150 . 18729 6 >> 7 3 . 1 . . 121.932 . 1 1 1 4 VAL N . . . . . . 43 . 18729 6 >> 8 1 . 1 . . 8.808 . 1 1 1 4 VAL H . . . . . . 42 . 18729 6 >> 8 2 . 1 . . 173.341 . 1 1 1 3 CYS C . . . . . . 151 . 18729 6 >> 8 3 . 1 . . 121.937 . 1 1 1 4 VAL N . . . . . . 43 . 18729 6 >> 9 1 . 1 . . 8.994 . 1 1 1 5 GLU H . . . . . . 5 . 18729 6 >> 9 2 . 1 . . 175.223 . 1 1 1 5 GLU C . . . . . . 148 . 18729 6 >> 9 3 . 1 . . 129.857 . 1 1 1 5 GLU N . . . . . . 6 . 18729 6 >> 10 1 . 1 . . 8.998 . 1 1 1 5 GLU H . . . . . . 5 . 18729 6 >> 10 2 . 1 . . 175.149 . 1 1 1 4 VAL C . . . . . . 150 . 18729 6 >> 10 3 . 1 . . 129.834 . 1 1 1 5 GLU N . . . . . . 6 . 18729 6 >> 11 1 . 1 . . 8.706 . 1 1 1 6 ASN H . . . . . . 63 . 18729 6 >> 11 2 . 1 . . 175.249 . 1 1 1 5 GLU C . . . . . . 148 . 18729 6 >> 11 3 . 1 . . 119.352 . 1 1 1 6 ASN N . . . . . . 64 . 18729 6 >> 12 1 . 1 . . 8.706 . 1 1 1 6 ASN H . . . . . . 63 . 18729 6 >> 12 2 . 1 . . 176.273 . 1 1 1 6 ASN C . . . . . . 147 . 18729 6 >> 12 3 . 1 . . 119.315 . 1 1 1 6 ASN N . . . . . . 64 . 18729 6 >> 13 1 . 1 . . 9.562 . 1 1 1 7 GLY H . . . . . . 50 . 18729 6 >> 13 2 . 1 . . 174.881 . 1 1 1 7 GLY C . . . . . . 146 . 18729 6 >> 13 3 . 1 . . 113.201 . 1 1 1 7 GLY N . . . . . . 51 . 18729 6 >> 14 1 . 1 . . 9.562 . 1 1 1 7 GLY H . . . . . . 50 . 18729 6 >> 14 2 . 1 . . 176.292 . 1 1 1 6 ASN C . . . . . . 147 . 18729 6 >> 14 3 . 1 . . 113.152 . 1 1 1 7 GLY N . . . . . . 51 . 18729 6 >> 15 1 . 1 . . 8.329 . 1 1 1 8 GLY H . . . . . . 28 . 18729 6 >> 15 2 . 1 . . 171.661 . 1 1 1 8 GLY C . . . . . . 145 . 18729 6 >> 15 3 . 1 . . 108.240 . 1 1 1 8 GLY N . . . . . . 29 . 18729 6 >> 16 1 . 1 . . 8.434 . 1 1 1 9 PHE H . . . . . . 36 . 18729 6 >> 16 2 . 1 . . 174.161 . 1 1 1 9 PHE C . . . . . . 144 . 18729 6 >> 16 3 . 1 . . 120.661 . 1 1 1 9 PHE N . . . . . . 37 . 18729 6 >> 17 1 . 1 . . 8.437 . 1 1 1 9 PHE H . . . . . . 36 . 18729 6 >> 17 2 . 1 . . 171.709 . 1 1 1 8 GLY C . . . . . . 145 . 18729 6 >> 17 3 . 1 . . 120.551 . 1 1 1 9 PHE N . . . . . . 37 . 18729 6 >> 18 1 . 1 . . 9.260 . 1 1 1 21 CYS H . . . . . . 3 . 18729 6 >> 18 2 . 1 . . 175.415 . 1 1 1 20 CYS C . . . . . . 134 . 18729 6 >> 18 3 . 1 . . 122.635 . 1 1 1 21 CYS N . . . . . . 4 . 18729 6 >> 19 1 . 1 . . 9.260 . 1 1 1 21 CYS H . . . . . . 3 . 18729 6 >> 19 2 . 1 . . 176.831 . 1 1 1 21 CYS C . . . . . . 133 . 18729 6 >> 19 3 . 1 . . 122.723 . 1 1 1 21 CYS N . . . . . . 4 . 18729 6 >> 20 1 . 1 . . 6.937 . 1 1 1 10 CYS H . . . . . . 9 . 18729 6 >> 20 2 . 1 . . 174.230 . 1 1 1 9 PHE C . . . . . . 144 . 18729 6 >> 20 3 . 1 . . 122.624 . 1 1 1 10 CYS N . . . . . . 10 . 18729 6 >> 21 1 . 1 . . 8.122 . 1 1 1 12 ASP H . . . . . . 14 . 18729 6 >> 21 2 . 1 . . 173.948 . 1 1 1 11 PRO C . . . . . . 143 . 18729 6 >> 21 3 . 1 . . 117.171 . 1 1 1 12 ASP N . . . . . . 15 . 18729 6 >> 22 1 . 1 . . 8.122 . 1 1 1 12 ASP H . . . . . . 14 . 18729 6 >> 22 2 . 1 . . 176.518 . 1 1 1 12 ASP C . . . . . . 235 . 18729 6 >> 22 3 . 1 . . 117.123 . 1 1 1 12 ASP N . . . . . . 15 . 18729 6 >> 23 1 . 1 . . 8.740 . 1 1 1 14 GLU H . . . . . . 48 . 18729 6 >> 23 2 . 1 . . 177.375 . 1 1 1 14 GLU C . . . . . . 141 . 18729 6 >> 23 3 . 1 . . 119.959 . 1 1 1 14 GLU N . . . . . . 49 . 18729 6 >> 24 1 . 1 . . 8.739 . 1 1 1 14 GLU H . . . . . . 48 . 18729 6 >> 24 2 . 1 . . 179.133 . 1 1 1 13 PRO C . . . . . . 142 . 18729 6 >> 24 3 . 1 . . 119.858 . 1 1 1 14 GLU N . . . . . . 49 . 18729 6 >> 25 1 . 1 . . 7.458 . 1 1 1 15 LYS H . . . . . . 18 . 18729 6 >> 25 2 . 1 . . 177.888 . 1 1 1 15 LYS C . . . . . . 139 . 18729 6 >> 25 3 . 1 . . 116.349 . 1 1 1 15 LYS N . . . . . . 19 . 18729 6 >> 26 1 . 1 . . 7.933 . 1 1 1 16 MET H . . . . . . 38 . 18729 6 >> 26 2 . 1 . . 177.862 . 1 1 1 15 LYS C . . . . . . 139 . 18729 6 >> 26 3 . 1 . . 114.937 . 1 1 1 16 MET N . . . . . . 39 . 18729 6 >> 27 1 . 1 . . 7.932 . 1 1 1 16 MET H . . . . . . 38 . 18729 6 >> 27 2 . 1 . . 177.346 . 1 1 1 16 MET C . . . . . . 138 . 18729 6 >> 27 3 . 1 . . 114.935 . 1 1 1 16 MET N . . . . . . 39 . 18729 6 >> 28 1 . 1 . . 7.665 . 1 1 1 17 GLY H . . . . . . 20 . 18729 6 >> 28 2 . 1 . . 177.341 . 1 1 1 16 MET C . . . . . . 138 . 18729 6 >> 28 3 . 1 . . 109.122 . 1 1 1 17 GLY N . . . . . . 21 . 18729 6 >> 29 1 . 1 . . 7.667 . 1 1 1 17 GLY H . . . . . . 20 . 18729 6 >> 29 2 . 1 . . 171.676 . 1 1 1 17 GLY C . . . . . . 137 . 18729 6 >> 29 3 . 1 . . 109.288 . 1 1 1 17 GLY N . . . . . . 21 . 18729 6 >> 30 1 . 1 . . 8.609 . 1 1 1 18 ASP H . . . . . . 56 . 18729 6 >> 30 2 . 1 . . 177.640 . 1 1 1 18 ASP C . . . . . . 136 . 18729 6 >> 30 3 . 1 . . 119.881 . 1 1 1 18 ASP N . . . . . . 57 . 18729 6 >> 31 1 . 1 . . 8.607 . 1 1 1 18 ASP H . . . . . . 56 . 18729 6 >> 31 2 . 1 . . 171.901 . 1 1 1 17 GLY C . . . . . . 137 . 18729 6 >> 31 3 . 1 . . 119.955 . 1 1 1 18 ASP N . . . . . . 57 . 18729 6 >> 32 1 . 1 . . 9.446 . 1 1 1 20 CYS H . . . . . . 30 . 18729 6 >> 32 2 . 1 . . 177.325 . 1 1 1 19 TRP C . . . . . . 135 . 18729 6 >> 32 3 . 1 . . 120.859 . 1 1 1 20 CYS N . . . . . . 31 . 18729 6 >> 33 1 . 1 . . 9.444 . 1 1 1 20 CYS H . . . . . . 30 . 18729 6 >> 33 2 . 2 . . 175.462 . 1 1 1 20 CYS C . . . . . . 134 . 18729 6 >> 33 3 . 1 . . 120.829 . 1 1 1 20 CYS N . . . . . . 31 . 18729 6 >> 34 1 . 1 . . 8.879 . 1 1 1 22 GLY H . . . . . . 16 . 18729 6 >> 34 2 . 1 . . 172.036 . 1 1 1 22 GLY C . . . . . . 132 . 18729 6 >> 34 3 . 1 . . 109.428 . 1 1 1 22 GLY N . . . . . . 17 . 18729 6 >> 35 1 . 1 . . 8.879 . 1 1 1 22 GLY H . . . . . . 16 . 18729 6 >> 35 2 . 1 . . 176.870 . 1 1 1 21 CYS C . . . . . . 133 . 18729 6 >> 35 3 . 1 . . 109.433 . 1 1 1 22 GLY N . . . . . . 17 . 18729 6 >> 36 1 . 1 . . 9.153 . 1 1 1 23 ARG H . . . . . . 52 . 18729 6 >> 36 2 . 1 . . 171.990 . 1 1 1 22 GLY C . . . . . . 132 . 18729 6 >> 36 3 . 1 . . 125.384 . 1 1 1 23 ARG N . . . . . . 53 . 18729 6 >> 37 1 . 1 . . 9.151 . 1 1 1 23 ARG H . . . . . . 52 . 18729 6 >> 37 2 . 1 . . 174.046 . 1 1 1 23 ARG C . . . . . . 130 . 18729 6 >> 37 3 . 1 . . 125.386 . 1 1 1 23 ARG N . . . . . . 53 . 18729 6 >> 38 1 . 1 . . 8.765 . 1 1 1 25 ILE H . . . . . . 12 . 18729 6 >> 38 2 . 1 . . 174.781 . 1 1 1 24 CYS C . . . . . . 129 . 18729 6 >> 38 3 . 1 . . 132.553 . 1 1 1 25 ILE N . . . . . . 13 . 18729 6 >> 39 1 . 1 . . 8.765 . 1 1 1 25 ILE H . . . . . . 12 . 18729 6 >> 39 2 . 1 . . 175.176 . 1 1 1 25 ILE C . . . . . . 155 . 18729 6 >> 39 3 . 1 . . 132.490 . 1 1 1 25 ILE N . . . . . . 13 . 18729 6 >> 40 1 . 1 . . 9.275 . 1 1 1 26 ARG H . . . . . . 26 . 18729 6 >> 40 2 . 1 . . 175.527 . 1 1 1 26 ARG C . . . . . . 127 . 18729 6 >> 40 3 . 1 . . 128.876 . 1 1 1 26 ARG N . . . . . . 27 . 18729 6 >> 41 1 . 1 . . 8.375 . 1 1 1 27 ASN H . . . . . . 1 . 18729 6 >> 41 2 . 1 . . 174.052 . 1 1 1 27 ASN C . . . . . . 126 . 18729 6 >> 41 3 . 1 . . 106.132 . 1 1 1 27 ASN N . . . . . . 2 . 18729 6 >> 42 1 . 1 . . 8.369 . 1 1 1 27 ASN H . . . . . . 1 . 18729 6 >> 42 2 . 1 . . 175.564 . 1 1 1 26 ARG C . . . . . . 127 . 18729 6 >> 42 3 . 1 . . 106.085 . 1 1 1 27 ASN N . . . . . . 2 . 18729 6 >> 43 1 . 1 . . 7.878 . 1 1 1 28 GLU H . . . . . . 22 . 18729 6 >> 43 2 . 1 . . 174.035 . 1 1 1 27 ASN C . . . . . . 126 . 18729 6 >> 43 3 . 1 . . 121.252 . 1 1 1 28 GLU N . . . . . . 23 . 18729 6 >> 44 1 . 1 . . 7.877 . 1 1 1 28 GLU H . . . . . . 22 . 18729 6 >> 44 2 . 1 . . 175.918 . 1 1 1 28 GLU C . . . . . . 125 . 18729 6 >> 44 3 . 1 . . 121.325 . 1 1 1 28 GLU N . . . . . . 23 . 18729 6 >> 45 1 . 1 . . 8.991 . 1 1 1 29 CYS H . . . . . . 61 . 18729 6 >> 45 2 . 1 . . 176.294 . 1 1 1 29 CYS C . . . . . . 124 . 18729 6 >> 45 3 . 1 . . 125.134 . 1 1 1 29 CYS N . . . . . . 62 . 18729 6 >> 46 1 . 1 . . 9.615 . 1 1 1 30 ARG H . . . . . . 59 . 18729 6 >> 46 2 . 1 . . 175.253 . 1 1 1 30 ARG C . . . . . . 123 . 18729 6 >> 46 3 . 1 . . 125.165 . 1 1 1 30 ARG N . . . . . . 60 . 18729 6 >> 47 1 . 1 . . 9.613 . 1 1 1 30 ARG H . . . . . . 59 . 18729 6 >> 47 2 . 1 . . 176.276 . 1 1 1 29 CYS C . . . . . . 124 . 18729 6 >> 47 3 . 1 . . 125.221 . 1 1 1 30 ARG N . . . . . . 60 . 18729 6 >> 48 1 . 1 . . 8.695 . 1 1 1 31 ASN H . . . . . . 24 . 18729 6 >> 48 2 . 1 . . 175.106 . 1 1 1 31 ASN C . . . . . . 122 . 18729 6 >> 48 3 . 1 . . 115.780 . 1 1 1 31 ASN N . . . . . . 25 . 18729 6 >> 49 1 . 1 . . 8.421 . 1 1 1 32 GLY H . . . . . . 44 . 18729 6 >> 49 2 . 1 . . 178.493 . 1 1 1 32 GLY C . . . . . . 236 . 18729 6 >> 49 3 . 1 . . 114.634 . 1 1 1 32 GLY N . . . . . . 45 . 18729 6 >> 50 1 . 1 . . 8.421 . 1 1 1 32 GLY H . . . . . . 44 . 18729 6 >> 50 2 . 1 . . 175.055 . 1 1 1 31 ASN C . . . . . . 122 . 18729 6 >> 50 3 . 1 . . 114.608 . 1 1 1 32 GLY N . . . . . . 45 . 18729 6 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5_6_7 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label 'HCCoNNH (HccoNH)' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 H 1H 3 N 15N stop_ _Sample_label $13C_15N _Sample_conditions_label $Standard _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4_5_6_7 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7 >> _Spectral_peak_list.Entry_ID 18729 >> _Spectral_peak_list.ID 7 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $13C_15N >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Standard >> _Spectral_peak_list.Experiment_ID 7 >> _Spectral_peak_list.Experiment_name 'HCCoNNH (HccoNH)' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . 2968.75000000 . . . 18729 7 >> 2 H 1 1H . 4000.00000000 . . . 18729 7 >> 3 N 15 15N . 2129.24518258 . . . 18729 7 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18729 7 >> 2 1.0 . 18729 7 >> 3 1.0 . 18729 7 >> 4 1.0 . 18729 7 >> 5 1.0 . 18729 7 >> 6 1.0 . 18729 7 >> 7 1.0 . 18729 7 >> 8 1.0 . 18729 7 >> 9 1.0 . 18729 7 >> 10 1.0 . 18729 7 >> 11 1.0 . 18729 7 >> 12 1.0 . 18729 7 >> 13 1.0 . 18729 7 >> 14 1.0 . 18729 7 >> 15 1.0 . 18729 7 >> 16 1.0 . 18729 7 >> 17 1.0 . 18729 7 >> 18 1.0 . 18729 7 >> 19 1.0 . 18729 7 >> 20 1.0 . 18729 7 >> 21 1.0 . 18729 7 >> 22 1.0 . 18729 7 >> 23 1.0 . 18729 7 >> 24 1.0 . 18729 7 >> 25 1.0 . 18729 7 >> 26 1.0 . 18729 7 >> 27 1.0 . 18729 7 >> 28 1.0 . 18729 7 >> 29 1.0 . 18729 7 >> 30 1.0 . 18729 7 >> 31 1.0 . 18729 7 >> 32 1.0 . 18729 7 >> 33 1.0 . 18729 7 >> 34 1.0 . 18729 7 >> 35 1.0 . 18729 7 >> 36 1.0 . 18729 7 >> 37 1.0 . 18729 7 >> 38 1.0 . 18729 7 >> 39 1.0 . 18729 7 >> 40 1.0 . 18729 7 >> 41 1.0 . 18729 7 >> 42 1.0 . 18729 7 >> 43 1.0 . 18729 7 >> 44 1.0 . 18729 7 >> 45 1.0 . 18729 7 >> 46 1.0 . 18729 7 >> 47 1.0 . 18729 7 >> 48 1.0 . 18729 7 >> 49 1.0 . 18729 7 >> 50 1.0 . 18729 7 >> 51 1.0 . 18729 7 >> 52 1.0 . 18729 7 >> 53 1.0 . 18729 7 >> 54 1.0 . 18729 7 >> 55 1.0 . 18729 7 >> 56 1.0 . 18729 7 >> 57 1.0 . 18729 7 >> 58 1.0 . 18729 7 >> 59 1.0 . 18729 7 >> 60 1.0 . 18729 7 >> 61 1.0 . 18729 7 >> 62 1.0 . 18729 7 >> 63 1.0 . 18729 7 >> 64 1.0 . 18729 7 >> 65 1.0 . 18729 7 >> 66 1.0 . 18729 7 >> 67 1.0 . 18729 7 >> 68 1.0 . 18729 7 >> 69 1.0 . 18729 7 >> 70 1.0 . 18729 7 >> 71 1.0 . 18729 7 >> 72 1.0 . 18729 7 >> 73 1.0 . 18729 7 >> 74 1.0 . 18729 7 >> 75 1.0 . 18729 7 >> 76 1.0 . 18729 7 >> 77 1.0 . 18729 7 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 5185880.50 . height 18729 7 >> 1 104210443.75 . volume 18729 7 >> 2 14688700.00 . height 18729 7 >> 2 310797545.50 . volume 18729 7 >> 3 10141618.00 . height 18729 7 >> 3 215873791.00 . volume 18729 7 >> 4 2838586.50 . height 18729 7 >> 4 61129598.75 . volume 18729 7 >> 5 1061863.00 . height 18729 7 >> 5 23934010.00 . volume 18729 7 >> 6 1400913.00 . height 18729 7 >> 6 31837655.25 . volume 18729 7 >> 7 2763402.75 . height 18729 7 >> 7 57321231.00 . volume 18729 7 >> 8 4084622.75 . height 18729 7 >> 8 96458579.25 . volume 18729 7 >> 9 3792742.75 . height 18729 7 >> 9 88010025.75 . volume 18729 7 >> 10 9371711.00 . height 18729 7 >> 10 198450756.00 . volume 18729 7 >> 11 8445742.00 . height 18729 7 >> 11 179413953.50 . volume 18729 7 >> 12 7930249.00 . height 18729 7 >> 12 170981429.00 . volume 18729 7 >> 13 7703160.00 . height 18729 7 >> 13 160222752.50 . volume 18729 7 >> 14 8629266.00 . height 18729 7 >> 14 184141704.50 . volume 18729 7 >> 15 4061401.50 . height 18729 7 >> 15 85359918.50 . volume 18729 7 >> 16 3085574.00 . height 18729 7 >> 16 65921656.50 . volume 18729 7 >> 17 1370134.75 . height 18729 7 >> 17 31354535.00 . volume 18729 7 >> 18 1302109.50 . height 18729 7 >> 18 29890333.50 . volume 18729 7 >> 19 921569.75 . height 18729 7 >> 19 21266328.00 . volume 18729 7 >> 20 671958.75 . height 18729 7 >> 20 14945669.75 . volume 18729 7 >> 21 3380020.75 . height 18729 7 >> 21 78051359.50 . volume 18729 7 >> 22 2127442.75 . height 18729 7 >> 22 48548710.75 . volume 18729 7 >> 23 1174902.75 . height 18729 7 >> 23 26530036.25 . volume 18729 7 >> 24 4279892.00 . height 18729 7 >> 24 95685336.00 . volume 18729 7 >> 25 4283265.00 . height 18729 7 >> 25 95419012.50 . volume 18729 7 >> 26 2765528.75 . height 18729 7 >> 26 60736829.25 . volume 18729 7 >> 27 812811.50 . height 18729 7 >> 27 18676493.50 . volume 18729 7 >> 28 2340171.75 . height 18729 7 >> 28 53119746.25 . volume 18729 7 >> 29 4225678.00 . height 18729 7 >> 29 88083539.75 . volume 18729 7 >> 30 837438.25 . height 18729 7 >> 30 19484644.75 . volume 18729 7 >> 31 2992583.75 . height 18729 7 >> 31 68625692.75 . volume 18729 7 >> 32 1326911.75 . height 18729 7 >> 32 30383416.25 . volume 18729 7 >> 33 1248750.25 . height 18729 7 >> 33 27270188.50 . volume 18729 7 >> 34 2715342.75 . height 18729 7 >> 34 62366203.75 . volume 18729 7 >> 35 1337750.00 . height 18729 7 >> 35 28364365.00 . volume 18729 7 >> 36 5726050.00 . height 18729 7 >> 36 123398524.00 . volume 18729 7 >> 37 6283889.00 . height 18729 7 >> 37 138476850.75 . volume 18729 7 >> 38 7541912.00 . height 18729 7 >> 38 162040863.50 . volume 18729 7 >> 39 3606585.25 . height 18729 7 >> 39 78219695.75 . volume 18729 7 >> 40 2720920.75 . height 18729 7 >> 40 58431539.25 . volume 18729 7 >> 41 2071621.75 . height 18729 7 >> 41 46432825.00 . volume 18729 7 >> 42 6582452.50 . height 18729 7 >> 42 137680720.75 . volume 18729 7 >> 43 6244228.00 . height 18729 7 >> 43 132270144.00 . volume 18729 7 >> 44 741830.00 . height 18729 7 >> 44 16402366.00 . volume 18729 7 >> 45 1016434.00 . height 18729 7 >> 45 21733621.75 . volume 18729 7 >> 46 6383396.00 . height 18729 7 >> 46 136221763.25 . volume 18729 7 >> 47 6930920.00 . height 18729 7 >> 47 147705574.50 . volume 18729 7 >> 48 1720404.00 . height 18729 7 >> 48 36844408.50 . volume 18729 7 >> 49 8086944.50 . height 18729 7 >> 49 173276782.00 . volume 18729 7 >> 50 8278450.00 . height 18729 7 >> 50 174319909.00 . volume 18729 7 >> 51 795456.00 . height 18729 7 >> 51 17261202.00 . volume 18729 7 >> 52 1631753.75 . height 18729 7 >> 52 35632506.25 . volume 18729 7 >> 53 1360139.50 . height 18729 7 >> 53 29557795.25 . volume 18729 7 >> 54 1061811.25 . height 18729 7 >> 54 23853003.50 . volume 18729 7 >> 55 6901529.00 . height 18729 7 >> 55 152400907.00 . volume 18729 7 >> 56 7432447.00 . height 18729 7 >> 56 157737935.75 . volume 18729 7 >> 57 1074211.25 . height 18729 7 >> 57 23350293.50 . volume 18729 7 >> 58 808384.50 . height 18729 7 >> 58 17815600.75 . volume 18729 7 >> 59 1855721.00 . height 18729 7 >> 59 40358268.25 . volume 18729 7 >> 60 8515018.00 . height 18729 7 >> 60 180553128.50 . volume 18729 7 >> 61 1564890.75 . height 18729 7 >> 61 34403985.75 . volume 18729 7 >> 62 9292969.00 . height 18729 7 >> 62 196368886.50 . volume 18729 7 >> 63 983900.75 . height 18729 7 >> 63 21619352.75 . volume 18729 7 >> 64 565093.00 . height 18729 7 >> 64 14227062.00 . volume 18729 7 >> 65 5398954.50 . height 18729 7 >> 65 119078745.00 . volume 18729 7 >> 66 1074347.75 . height 18729 7 >> 66 23171499.25 . volume 18729 7 >> 67 13885392.00 . height 18729 7 >> 67 295293071.50 . volume 18729 7 >> 68 2061344.75 . height 18729 7 >> 68 42849179.50 . volume 18729 7 >> 69 930474.75 . height 18729 7 >> 69 21213089.50 . volume 18729 7 >> 70 432911.75 . height 18729 7 >> 70 10286990.50 . volume 18729 7 >> 71 498317.75 . height 18729 7 >> 71 11834265.25 . volume 18729 7 >> 72 645059.25 . height 18729 7 >> 72 14621682.25 . volume 18729 7 >> 73 426591.75 . height 18729 7 >> 73 8882658.50 . volume 18729 7 >> 74 299018.50 . height 18729 7 >> 74 7109334.75 . volume 18729 7 >> 75 1219386.50 . height 18729 7 >> 75 28349735.25 . volume 18729 7 >> 76 4655655.50 . height 18729 7 >> 76 104864383.50 . volume 18729 7 >> 77 1350871.00 . height 18729 7 >> 77 36310405.75 . volume 18729 7 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 8.251 . 24.7342884541 . . . . . . . . . . 1 18729 7 >> 1 2 4.488 . 31.1639308929 . . . . . . . . . . 1 18729 7 >> 1 3 118.061 . 31.7800061512 . . . . . . . . . . 1 18729 7 >> 2 1 8.252 . 27.3267924786 . . . . . . . . . . 1 18729 7 >> 2 2 2.329 . 32.4435234070 . . . . . . . . . . 1 18729 7 >> 2 3 118.071 . 36.3359255340 . . . . . . . . . . 1 18729 7 >> 3 1 8.804 . 27.7279317379 . . . . . . . . . . 1 18729 7 >> 3 2 4.839 . 32.5821638107 . . . . . . . . . . 1 18729 7 >> 3 3 121.912 . 37.2750810144 . . . . . . . . . . 1 18729 7 >> 4 1 8.994 . 25.7220864296 . . . . . . . . . . 1 18729 7 >> 4 2 2.160 . 36.3118648529 . . . . . . . . . . 1 18729 7 >> 4 3 129.789 . 35.5006482646 . . . . . . . . . . 1 18729 7 >> 5 1 8.976 . 33.5752218962 . . . . . . . . . . 1 18729 7 >> 5 2 1.211 . 51.8882274628 . . . . . . . . . . 1 18729 7 >> 5 3 129.883 . 36.5482825486 . . . . . . . . . . 1 18729 7 >> 6 1 8.987 . 26.1916220188 . . . . . . . . . . 1 18729 7 >> 6 2 0.981 . 51.7604351044 . . . . . . . . . . 1 18729 7 >> 6 3 129.906 . 39.2319193336 . . . . . . . . . . 1 18729 7 >> 7 1 8.705 . 23.9351391792 . . . . . . . . . . 1 18729 7 >> 7 2 4.109 . 36.0925197601 . . . . . . . . . . 1 18729 7 >> 7 3 119.264 . 31.0472110507 . . . . . . . . . . 1 18729 7 >> 8 1 8.704 . 31.1960279942 . . . . . . . . . . 1 18729 7 >> 8 2 2.368 . 84.4409465790 . . . . . . . . . . 1 18729 7 >> 8 3 119.287 . 39.1698271959 . . . . . . . . . . 1 18729 7 >> 9 1 8.700 . 28.7514925003 . . . . . . . . . . 1 18729 7 >> 9 2 2.446 . 90.9624099731 . . . . . . . . . . 1 18729 7 >> 9 3 119.287 . 38.0927808468 . . . . . . . . . . 1 18729 7 >> 10 1 9.565 . 28.2777845860 . . . . . . . . . . 1 18729 7 >> 10 2 4.111 . 31.3686132431 . . . . . . . . . . 1 18729 7 >> 10 3 113.140 . 36.4864442367 . . . . . . . . . . 1 18729 7 >> 11 1 8.319 . 28.8191437721 . . . . . . . . . . 1 18729 7 >> 11 2 4.524 . 33.2007408142 . . . . . . . . . . 1 18729 7 >> 11 3 108.197 . 34.8875954879 . . . . . . . . . . 1 18729 7 >> 12 1 8.319 . 28.6643207073 . . . . . . . . . . 1 18729 7 >> 12 2 3.867 . 36.2321138382 . . . . . . . . . . 1 18729 7 >> 12 3 108.197 . 35.7597409556 . . . . . . . . . . 1 18729 7 >> 13 1 8.426 . 25.5453586578 . . . . . . . . . . 1 18729 7 >> 13 2 3.580 . 32.9749584198 . . . . . . . . . . 1 18729 7 >> 13 3 120.625 . 34.7709625303 . . . . . . . . . . 1 18729 7 >> 14 1 8.425 . 25.5464017391 . . . . . . . . . . 1 18729 7 >> 14 2 4.303 . 34.7316265106 . . . . . . . . . . 1 18729 7 >> 14 3 120.607 . 36.9944131299 . . . . . . . . . . 1 18729 7 >> 15 1 6.924 . 26.0193645954 . . . . . . . . . . 1 18729 7 >> 15 2 3.408 . 34.0133905411 . . . . . . . . . . 1 18729 7 >> 15 3 122.552 . 33.6561595925 . . . . . . . . . . 1 18729 7 >> 16 1 6.924 . 24.9207019806 . . . . . . . . . . 1 18729 7 >> 16 2 4.732 . 36.4367961884 . . . . . . . . . . 1 18729 7 >> 16 3 122.557 . 35.8494683778 . . . . . . . . . . 1 18729 7 >> 17 1 8.108 . 25.6651639938 . . . . . . . . . . 1 18729 7 >> 17 2 2.678 . 63.2650852203 . . . . . . . . . . 1 18729 7 >> 17 3 117.083 . 38.5384989612 . . . . . . . . . . 1 18729 7 >> 18 1 8.113 . 23.3405828476 . . . . . . . . . . 1 18729 7 >> 18 2 2.414 . 71.5906620026 . . . . . . . . . . 1 18729 7 >> 18 3 117.134 . 40.1643801583 . . . . . . . . . . 1 18729 7 >> 19 1 8.107 . 27.3874402046 . . . . . . . . . . 1 18729 7 >> 19 2 1.944 . 59.1681003571 . . . . . . . . . . 1 18729 7 >> 19 3 117.123 . 42.1730306701 . . . . . . . . . . 1 18729 7 >> 20 1 8.099 . 24.0980088711 . . . . . . . . . . 1 18729 7 >> 20 2 1.681 . 51.8395900726 . . . . . . . . . . 1 18729 7 >> 20 3 117.111 . 34.2209220098 . . . . . . . . . . 1 18729 7 >> 21 1 8.731 . 28.5641849041 . . . . . . . . . . 1 18729 7 >> 21 2 3.870 . 52.8478622437 . . . . . . . . . . 1 18729 7 >> 21 3 119.881 . 41.9077827034 . . . . . . . . . . 1 18729 7 >> 22 1 8.736 . 28.7780165672 . . . . . . . . . . 1 18729 7 >> 22 2 2.048 . 84.4089984894 . . . . . . . . . . 1 18729 7 >> 22 3 119.844 . 40.3461194351 . . . . . . . . . . 1 18729 7 >> 23 1 8.735 . 27.8510153294 . . . . . . . . . . 1 18729 7 >> 23 2 1.980 . 145.0564861300 . . . . . . . . . . 1 18729 7 >> 23 3 119.920 . 32.2398750543 . . . . . . . . . . 1 18729 7 >> 24 1 7.443 . 27.7286767960 . . . . . . . . . . 1 18729 7 >> 24 2 2.375 . 109.5056533810 . . . . . . . . . . 1 18729 7 >> 24 3 116.270 . 35.1456094192 . . . . . . . . . . 1 18729 7 >> 25 1 7.445 . 29.4063985348 . . . . . . . . . . 1 18729 7 >> 25 2 2.276 . 109.4777584080 . . . . . . . . . . 1 18729 7 >> 25 3 116.270 . 34.7444377336 . . . . . . . . . . 1 18729 7 >> 26 1 7.444 . 25.0574946404 . . . . . . . . . . 1 18729 7 >> 26 2 4.125 . 43.4976816177 . . . . . . . . . . 1 18729 7 >> 26 3 116.265 . 37.1826884212 . . . . . . . . . . 1 18729 7 >> 27 1 7.442 . 25.3249704838 . . . . . . . . . . 1 18729 7 >> 27 2 2.106 . 52.7615547180 . . . . . . . . . . 1 18729 7 >> 27 3 116.258 . 40.4529800992 . . . . . . . . . . 1 18729 7 >> 28 1 7.919 . 30.6794047356 . . . . . . . . . . 1 18729 7 >> 28 2 1.739 . 51.7246723175 . . . . . . . . . . 1 18729 7 >> 28 3 114.902 . 37.1961411889 . . . . . . . . . . 1 18729 7 >> 29 1 7.920 . 26.8641114235 . . . . . . . . . . 1 18729 7 >> 29 2 3.046 . 34.7476005554 . . . . . . . . . . 1 18729 7 >> 29 3 114.905 . 32.2998414009 . . . . . . . . . . 1 18729 7 >> 30 1 7.923 . 26.6699492931 . . . . . . . . . . 1 18729 7 >> 30 2 1.427 . 130.2831172940 . . . . . . . . . . 1 18729 7 >> 30 3 114.877 . 38.7701150087 . . . . . . . . . . 1 18729 7 >> 31 1 7.654 . 26.5480577946 . . . . . . . . . . 1 18729 7 >> 31 2 2.504 . 67.0287609100 . . . . . . . . . . 1 18729 7 >> 31 3 109.274 . 41.1355176902 . . . . . . . . . . 1 18729 7 >> 32 1 7.653 . 30.4505228996 . . . . . . . . . . 1 18729 7 >> 32 2 2.311 . 53.0111789703 . . . . . . . . . . 1 18729 7 >> 32 3 109.269 . 38.5141316839 . . . . . . . . . . 1 18729 7 >> 33 1 7.651 . 25.9545445442 . . . . . . . . . . 1 18729 7 >> 33 2 1.754 . 50.7645606995 . . . . . . . . . . 1 18729 7 >> 33 3 109.231 . 33.2462309167 . . . . . . . . . . 1 18729 7 >> 34 1 7.653 . 27.2460281849 . . . . . . . . . . 1 18729 7 >> 34 2 2.556 . 71.3577270508 . . . . . . . . . . 1 18729 7 >> 34 3 109.274 . 40.8083362269 . . . . . . . . . . 1 18729 7 >> 35 1 7.652 . 23.1140851974 . . . . . . . . . . 1 18729 7 >> 35 2 4.803 . 46.9490289688 . . . . . . . . . . 1 18729 7 >> 35 3 109.258 . 33.0552269980 . . . . . . . . . . 1 18729 7 >> 36 1 8.602 . 27.1654129028 . . . . . . . . . . 1 18729 7 >> 36 2 4.432 . 36.8571281433 . . . . . . . . . . 1 18729 7 >> 36 3 119.888 . 37.3012250723 . . . . . . . . . . 1 18729 7 >> 37 1 8.602 . 27.6258587837 . . . . . . . . . . 1 18729 7 >> 37 2 3.819 . 38.2478237152 . . . . . . . . . . 1 18729 7 >> 37 3 119.849 . 37.6559466355 . . . . . . . . . . 1 18729 7 >> 38 1 8.214 . 26.2875854969 . . . . . . . . . . 1 18729 7 >> 38 2 4.895 . 33.8389277458 . . . . . . . . . . 1 18729 7 >> 38 3 126.861 . 37.5315085344 . . . . . . . . . . 1 18729 7 >> 39 1 9.444 . 26.4586508274 . . . . . . . . . . 1 18729 7 >> 39 2 3.640 . 39.2791032791 . . . . . . . . . . 1 18729 7 >> 39 3 120.754 . 38.0168869309 . . . . . . . . . . 1 18729 7 >> 40 1 9.445 . 24.4102627039 . . . . . . . . . . 1 18729 7 >> 40 2 3.051 . 39.6568775177 . . . . . . . . . . 1 18729 7 >> 40 3 120.739 . 34.2539193645 . . . . . . . . . . 1 18729 7 >> 41 1 9.446 . 25.1770019531 . . . . . . . . . . 1 18729 7 >> 41 2 4.884 . 47.9674935341 . . . . . . . . . . 1 18729 7 >> 41 3 120.747 . 39.1104954139 . . . . . . . . . . 1 18729 7 >> 42 1 9.259 . 25.2506136894 . . . . . . . . . . 1 18729 7 >> 42 2 4.864 . 32.4169397354 . . . . . . . . . . 1 18729 7 >> 42 3 122.619 . 35.7191922831 . . . . . . . . . . 1 18729 7 >> 43 1 8.875 . 28.1371176243 . . . . . . . . . . 1 18729 7 >> 43 2 4.573 . 32.4925184250 . . . . . . . . . . 1 18729 7 >> 43 3 109.362 . 35.4587035503 . . . . . . . . . . 1 18729 7 >> 44 1 8.870 . 22.4567949772 . . . . . . . . . . 1 18729 7 >> 44 2 2.746 . 70.7390308380 . . . . . . . . . . 1 18729 7 >> 44 3 109.419 . 43.2472214790 . . . . . . . . . . 1 18729 7 >> 45 1 8.874 . 22.9668617249 . . . . . . . . . . 1 18729 7 >> 45 2 3.289 . 40.6262874603 . . . . . . . . . . 1 18729 7 >> 45 3 109.509 . 35.9319617646 . . . . . . . . . . 1 18729 7 >> 46 1 9.146 . 26.6399979591 . . . . . . . . . . 1 18729 7 >> 46 2 4.266 . 34.8397493362 . . . . . . . . . . 1 18729 7 >> 46 3 125.357 . 36.0994867962 . . . . . . . . . . 1 18729 7 >> 47 1 9.145 . 27.2605568171 . . . . . . . . . . 1 18729 7 >> 47 2 3.827 . 32.3448181152 . . . . . . . . . . 1 18729 7 >> 47 3 125.357 . 36.6048539750 . . . . . . . . . . 1 18729 7 >> 48 1 10.612 . 28.9561972022 . . . . . . . . . . 1 18729 7 >> 48 2 1.663 . 36.5631580353 . . . . . . . . . . 1 18729 7 >> 48 3 127.176 . 31.8888339653 . . . . . . . . . . 1 18729 7 >> 49 1 10.614 . 31.2753953040 . . . . . . . . . . 1 18729 7 >> 49 2 3.227 . 31.4973592758 . . . . . . . . . . 1 18729 7 >> 49 3 127.189 . 37.8527250912 . . . . . . . . . . 1 18729 7 >> 50 1 8.762 . 27.3640453815 . . . . . . . . . . 1 18729 7 >> 50 2 4.717 . 32.7380895615 . . . . . . . . . . 1 18729 7 >> 50 3 132.488 . 34.5182789409 . . . . . . . . . . 1 18729 7 >> 51 1 9.274 . 24.8182564974 . . . . . . . . . . 1 18729 7 >> 51 2 4.315 . 41.8540239334 . . . . . . . . . . 1 18729 7 >> 51 3 128.827 . 34.5690441020 . . . . . . . . . . 1 18729 7 >> 52 1 9.269 . 25.5018472672 . . . . . . . . . . 1 18729 7 >> 52 2 1.792 . 42.6054000854 . . . . . . . . . . 1 18729 7 >> 52 3 128.848 . 34.4355634565 . . . . . . . . . . 1 18729 7 >> 53 1 9.273 . 28.6715477705 . . . . . . . . . . 1 18729 7 >> 53 2 0.912 . 43.5132980347 . . . . . . . . . . 1 18729 7 >> 53 3 128.797 . 34.1621613358 . . . . . . . . . . 1 18729 7 >> 54 1 9.277 . 34.1983884573 . . . . . . . . . . 1 18729 7 >> 54 2 0.817 . 100.9416580200 . . . . . . . . . . 1 18729 7 >> 54 3 128.809 . 35.0933213032 . . . . . . . . . . 1 18729 7 >> 55 1 8.363 . 27.8756022453 . . . . . . . . . . 1 18729 7 >> 55 2 3.279 . 49.1944551468 . . . . . . . . . . 1 18729 7 >> 55 3 106.079 . 36.8651523385 . . . . . . . . . . 1 18729 7 >> 56 1 7.865 . 27.3098051548 . . . . . . . . . . 1 18729 7 >> 56 2 4.351 . 33.4881544113 . . . . . . . . . . 1 18729 7 >> 56 3 121.253 . 36.2826855713 . . . . . . . . . . 1 18729 7 >> 57 1 7.862 . 30.7291746140 . . . . . . . . . . 1 18729 7 >> 57 2 3.283 . 48.2197999954 . . . . . . . . . . 1 18729 7 >> 57 3 121.273 . 33.4404711143 . . . . . . . . . . 1 18729 7 >> 58 1 7.865 . 25.2917408943 . . . . . . . . . . 1 18729 7 >> 58 2 2.936 . 49.8485565186 . . . . . . . . . . 1 18729 7 >> 58 3 121.225 . 36.5254064978 . . . . . . . . . . 1 18729 7 >> 59 1 8.985 . 27.5486707687 . . . . . . . . . . 1 18729 7 >> 59 2 5.056 . 41.8070554733 . . . . . . . . . . 1 18729 7 >> 59 3 125.058 . 32.8863693809 . . . . . . . . . . 1 18729 7 >> 60 1 8.989 . 26.5707075596 . . . . . . . . . . 1 18729 7 >> 60 2 2.189 . 35.2861881256 . . . . . . . . . . 1 18729 7 >> 60 3 125.091 . 34.9689466585 . . . . . . . . . . 1 18729 7 >> 61 1 8.986 . 24.2401659489 . . . . . . . . . . 1 18729 7 >> 61 2 1.924 . 56.3647747040 . . . . . . . . . . 1 18729 7 >> 61 3 125.118 . 33.4714378626 . . . . . . . . . . 1 18729 7 >> 62 1 9.615 . 27.3496657610 . . . . . . . . . . 1 18729 7 >> 62 2 5.268 . 31.8959951401 . . . . . . . . . . 1 18729 7 >> 62 3 125.142 . 35.9883110934 . . . . . . . . . . 1 18729 7 >> 63 1 8.694 . 23.3940780163 . . . . . . . . . . 1 18729 7 >> 63 2 2.086 . 49.3805408478 . . . . . . . . . . 1 18729 7 >> 63 3 115.800 . 37.0546333023 . . . . . . . . . . 1 18729 7 >> 64 1 8.675 . 45.2861189842 . . . . . . . . . . 1 18729 7 >> 64 2 1.789 . 50.7562160492 . . . . . . . . . . 1 18729 7 >> 64 3 115.853 . 67.5782017163 . . . . . . . . . . 1 18729 7 >> 65 1 8.694 . 27.0643830299 . . . . . . . . . . 1 18729 7 >> 65 2 3.194 . 48.9633083344 . . . . . . . . . . 1 18729 7 >> 65 3 115.746 . 35.8096177263 . . . . . . . . . . 1 18729 7 >> 66 1 8.689 . 23.2653319836 . . . . . . . . . . 1 18729 7 >> 66 2 4.765 . 41.6619777679 . . . . . . . . . . 1 18729 7 >> 66 3 115.853 . 34.8081480108 . . . . . . . . . . 1 18729 7 >> 67 1 8.413 . 28.8124382496 . . . . . . . . . . 1 18729 7 >> 67 2 4.574 . 32.5144529343 . . . . . . . . . . 1 18729 7 >> 67 3 114.576 . 36.1987326862 . . . . . . . . . . 1 18729 7 >> 68 1 7.923 . 27.1362066269 . . . . . . . . . . 1 18729 7 >> 68 2 4.431 . 36.1590385437 . . . . . . . . . . 1 18729 7 >> 68 3 114.875 . 30.9378121286 . . . . . . . . . . 1 18729 7 >> 69 1 7.920 . 26.5878438950 . . . . . . . . . . 1 18729 7 >> 69 2 1.887 . 61.6815090179 . . . . . . . . . . 1 18729 7 >> 69 3 114.952 . 40.1961083840 . . . . . . . . . . 1 18729 7 >> 70 1 8.106 . 25.1181423664 . . . . . . . . . . 1 18729 7 >> 70 2 0.726 . 109.0464591980 . . . . . . . . . . 1 18729 7 >> 70 3 117.110 . 46.2430005483 . . . . . . . . . . 1 18729 7 >> 71 1 8.106 . 27.1454453468 . . . . . . . . . . 1 18729 7 >> 71 2 0.794 . 103.6055088040 . . . . . . . . . . 1 18729 7 >> 71 3 117.110 . 51.3795464612 . . . . . . . . . . 1 18729 7 >> 72 1 7.921 . 27.1746516228 . . . . . . . . . . 1 18729 7 >> 72 2 1.518 . 133.7461471560 . . . . . . . . . . 1 18729 7 >> 72 3 114.877 . 35.5480502338 . . . . . . . . . . 1 18729 7 >> 73 1 8.356 . 23.1197476387 . . . . . . . . . . 1 18729 7 >> 73 2 1.997 . 43.1659221649 . . . . . . . . . . 1 18729 7 >> 73 3 106.149 . 38.8880170954 . . . . . . . . . . 1 18729 7 >> 74 1 8.354 . 33.2179665565 . . . . . . . . . . 1 18729 7 >> 74 2 1.851 . 59.8669052124 . . . . . . . . . . 1 18729 7 >> 74 3 106.090 . 49.7313285932 . . . . . . . . . . 1 18729 7 >> 75 1 8.737 . 27.1540880203 . . . . . . . . . . 1 18729 7 >> 75 2 2.082 . 109.5924377440 . . . . . . . . . . 1 18729 7 >> 75 3 119.920 . 38.7116716170 . . . . . . . . . . 1 18729 7 >> 76 1 8.694 . 26.8594920635 . . . . . . . . . . 1 18729 7 >> 76 2 3.258 . 52.9730319977 . . . . . . . . . . 1 18729 7 >> 76 3 115.746 . 37.3979327042 . . . . . . . . . . 1 18729 7 >> 77 1 8.360 . 26.9240140915 . . . . . . . . . . 1 18729 7 >> 77 2 3.220 . 112.7907037730 . . . . . . . . . . 1 18729 7 >> 77 3 106.079 . 33.7267231665 . . . . . . . . . . 1 18729 7 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 . 1 . . 8.251 . 1 1 1 3 CYS H . . . . . . 54 . 18729 7 >> 1 2 . 1 . . 4.488 . 1 1 1 2 GLU HA . . . . . . 234 . 18729 7 >> 1 3 . 1 . . 118.061 . 1 1 1 3 CYS N . . . . . . 55 . 18729 7 >> 2 1 . 1 . . 8.252 . 1 1 1 3 CYS H . . . . . . 54 . 18729 7 >> 2 2 . 1 . . 2.329 . 1 1 1 2 GLU HG2 . . . . . . 245 . 18729 7 >> 2 2 . 2 . . 2.329 . 1 1 1 2 GLU HG3 . . . . . . 246 . 18729 7 >> 2 3 . 1 . . 118.071 . 1 1 1 3 CYS N . . . . . . 55 . 18729 7 >> 3 1 . 1 . . 8.804 . 1 1 1 4 VAL H . . . . . . 42 . 18729 7 >> 3 2 . 1 . . 4.839 . 1 1 1 3 CYS HA . . . . . . 231 . 18729 7 >> 3 3 . 1 . . 121.912 . 1 1 1 4 VAL N . . . . . . 43 . 18729 7 >> 4 1 . 1 . . 8.994 . 1 1 1 5 GLU H . . . . . . 5 . 18729 7 >> 4 2 . 1 . . 2.160 . 1 1 1 4 VAL HB . . . . . . 227 . 18729 7 >> 4 3 . 1 . . 129.789 . 1 1 1 5 GLU N . . . . . . 6 . 18729 7 >> 5 1 . 1 . . 8.976 . 1 1 1 5 GLU H . . . . . . 5 . 18729 7 >> 5 2 . 1 . . 1.211 . 1 1 1 4 VAL MG2 . . . . . . 248 . 18729 7 >> 5 3 . 1 . . 129.883 . 1 1 1 5 GLU N . . . . . . 6 . 18729 7 >> 6 1 . 1 . . 8.987 . 1 1 1 5 GLU H . . . . . . 5 . 18729 7 >> 6 2 . 1 . . 0.981 . 1 1 1 4 VAL MG1 . . . . . . 247 . 18729 7 >> 6 3 . 1 . . 129.906 . 1 1 1 5 GLU N . . . . . . 6 . 18729 7 >> 7 1 . 1 . . 8.705 . 1 1 1 6 ASN H . . . . . . 63 . 18729 7 >> 7 2 . 2 . . 4.109 . 1 1 1 5 GLU HA . . . . . . 226 . 18729 7 >> 7 3 . 1 . . 119.264 . 1 1 1 6 ASN N . . . . . . 64 . 18729 7 >> 8 1 . 1 . . 8.704 . 1 1 1 6 ASN H . . . . . . 63 . 18729 7 >> 8 2 . 1 . . 2.368 . 1 1 1 5 GLU HG3 . . . . . . 249 . 18729 7 >> 8 3 . 1 . . 119.287 . 1 1 1 6 ASN N . . . . . . 64 . 18729 7 >> 9 1 . 1 . . 8.700 . 1 1 1 6 ASN H . . . . . . 63 . 18729 7 >> 9 2 . 1 . . 2.446 . 1 1 1 5 GLU HG2 . . . . . . 250 . 18729 7 >> 9 3 . 1 . . 119.287 . 1 1 1 6 ASN N . . . . . . 64 . 18729 7 >> 10 1 . 1 . . 9.565 . 1 1 1 7 GLY H . . . . . . 50 . 18729 7 >> 10 2 . 1 . . 4.111 . 1 1 1 6 ASN HA . . . . . . 223 . 18729 7 >> 10 3 . 1 . . 113.140 . 1 1 1 7 GLY N . . . . . . 51 . 18729 7 >> 11 1 . 1 . . 8.319 . 1 1 1 8 GLY H . . . . . . 28 . 18729 7 >> 11 2 . 1 . . 4.524 . 1 1 1 7 GLY HA2 . . . . . . 220 . 18729 7 >> 11 3 . 2 . . 108.197 . 1 1 1 8 GLY N . . . . . . 29 . 18729 7 >> 12 1 . 1 . . 8.319 . 1 1 1 8 GLY H . . . . . . 28 . 18729 7 >> 12 2 . 1 . . 3.867 . 1 1 1 7 GLY HA3 . . . . . . 219 . 18729 7 >> 12 3 . 1 . . 108.197 . 1 1 1 8 GLY N . . . . . . 29 . 18729 7 >> 13 1 . 1 . . 8.426 . 1 1 1 9 PHE H . . . . . . 36 . 18729 7 >> 13 2 . 1 . . 3.580 . 1 1 1 8 GLY HA3 . . . . . . 217 . 18729 7 >> 13 3 . 1 . . 120.625 . 1 1 1 9 PHE N . . . . . . 37 . 18729 7 >> 14 1 . 1 . . 8.425 . 1 1 1 9 PHE H . . . . . . 36 . 18729 7 >> 14 2 . 1 . . 4.303 . 1 1 1 8 GLY HA2 . . . . . . 218 . 18729 7 >> 14 3 . 1 . . 120.607 . 1 1 1 9 PHE N . . . . . . 37 . 18729 7 >> 15 1 . 1 . . 6.924 . 1 1 1 10 CYS H . . . . . . 9 . 18729 7 >> 15 2 . 1 . . 3.408 . 1 1 1 9 PHE HB2 . . . . . . 215 . 18729 7 >> 15 3 . 1 . . 122.552 . 1 1 1 10 CYS N . . . . . . 10 . 18729 7 >> 16 1 . 1 . . 6.924 . 1 1 1 10 CYS H . . . . . . 9 . 18729 7 >> 16 2 . 1 . . 4.732 . 1 1 1 9 PHE HA . . . . . . 216 . 18729 7 >> 16 3 . 1 . . 122.557 . 1 1 1 10 CYS N . . . . . . 10 . 18729 7 >> 17 1 . 1 . . 8.108 . 1 1 1 12 ASP H . . . . . . 14 . 18729 7 >> 17 2 . 1 . . 2.678 . 1 1 1 11 PRO HD3 . . . . . . 282 . 18729 7 >> 17 3 . 1 . . 117.083 . 1 1 1 12 ASP N . . . . . . 15 . 18729 7 >> 18 1 . 1 . . 8.113 . 1 1 1 12 ASP H . . . . . . 14 . 18729 7 >> 18 2 . 1 . . 2.414 . 1 1 1 11 PRO HD2 . . . . . . 281 . 18729 7 >> 18 3 . 1 . . 117.134 . 1 1 1 12 ASP N . . . . . . 15 . 18729 7 >> 19 1 . 1 . . 8.107 . 1 1 1 12 ASP H . . . . . . 14 . 18729 7 >> 19 2 . 1 . . 1.944 . 1 1 1 11 PRO HB3 . . . . . . 212 . 18729 7 >> 19 3 . 1 . . 117.123 . 1 1 1 12 ASP N . . . . . . 15 . 18729 7 >> 20 1 . 1 . . 8.099 . 1 1 1 12 ASP H . . . . . . 14 . 18729 7 >> 20 2 . 1 . . 1.681 . 1 1 1 11 PRO HB2 . . . . . . 211 . 18729 7 >> 20 3 . 1 . . 117.111 . 1 1 1 12 ASP N . . . . . . 15 . 18729 7 >> 21 1 . 1 . . 8.731 . 1 1 1 14 GLU H . . . . . . 48 . 18729 7 >> 21 2 . 1 . . 3.870 . 1 1 1 13 PRO HD3 . . . . . . 251 . 18729 7 >> 21 2 . 2 . . 3.870 . 1 1 1 13 PRO HD2 . . . . . . 252 . 18729 7 >> 21 3 . 1 . . 119.881 . 1 1 1 14 GLU N . . . . . . 49 . 18729 7 >> 22 1 . 1 . . 8.736 . 1 1 1 14 GLU H . . . . . . 48 . 18729 7 >> 22 2 . 1 . . 2.048 . 1 1 1 13 PRO HB3 . . . . . . 209 . 18729 7 >> 22 2 . 2 . . 2.048 . 1 1 1 13 PRO HB2 . . . . . . 210 . 18729 7 >> 22 3 . 2 . . 119.844 . 1 1 1 14 GLU N . . . . . . 49 . 18729 7 >> 23 1 . 1 . . 8.735 . 1 1 1 14 GLU H . . . . . . 48 . 18729 7 >> 23 2 . 2 . . 1.980 . 1 1 1 13 PRO HG3 . . . . . . 254 . 18729 7 >> 23 3 . 1 . . 119.920 . 1 1 1 14 GLU N . . . . . . 49 . 18729 7 >> 24 1 . 1 . . 7.443 . 1 1 1 15 LYS H . . . . . . 18 . 18729 7 >> 24 2 . 1 . . 2.375 . 1 1 1 14 GLU HG2 . . . . . . 256 . 18729 7 >> 24 3 . 1 . . 116.270 . 1 1 1 15 LYS N . . . . . . 19 . 18729 7 >> 25 1 . 1 . . 7.445 . 1 1 1 15 LYS H . . . . . . 18 . 18729 7 >> 25 2 . 1 . . 2.276 . 1 1 1 14 GLU HG3 . . . . . . 255 . 18729 7 >> 25 3 . 1 . . 116.270 . 1 1 1 15 LYS N . . . . . . 19 . 18729 7 >> 26 1 . 1 . . 7.444 . 1 1 1 15 LYS H . . . . . . 18 . 18729 7 >> 26 2 . 1 . . 4.125 . 1 1 1 14 GLU HA . . . . . . 205 . 18729 7 >> 26 3 . 1 . . 116.265 . 1 1 1 15 LYS N . . . . . . 19 . 18729 7 >> 27 1 . 1 . . 7.442 . 1 1 1 15 LYS H . . . . . . 18 . 18729 7 >> 27 2 . 1 . . 2.106 . 1 1 1 14 GLU HB2 . . . . . . 207 . 18729 7 >> 27 2 . 2 . . 2.106 . 1 1 1 14 GLU HB3 . . . . . . 206 . 18729 7 >> 27 3 . 1 . . 116.258 . 1 1 1 15 LYS N . . . . . . 19 . 18729 7 >> 28 1 . 1 . . 7.919 . 1 1 1 16 MET H . . . . . . 38 . 18729 7 >> 28 2 . 1 . . 1.739 . 1 1 1 15 LYS HD3 . . . . . . 261 . 18729 7 >> 28 2 . 2 . . 1.739 . 1 1 1 15 LYS HD2 . . . . . . 262 . 18729 7 >> 28 3 . 1 . . 114.902 . 1 1 1 16 MET N . . . . . . 39 . 18729 7 >> 29 1 . 1 . . 7.920 . 1 1 1 16 MET H . . . . . . 38 . 18729 7 >> 29 2 . 1 . . 3.046 . 1 1 1 15 LYS HE2 . . . . . . 257 . 18729 7 >> 29 2 . 2 . . 3.046 . 1 1 1 15 LYS HE3 . . . . . . 258 . 18729 7 >> 29 3 . 1 . . 114.905 . 1 1 1 16 MET N . . . . . . 39 . 18729 7 >> 30 1 . 1 . . 7.923 . 1 1 1 16 MET H . . . . . . 38 . 18729 7 >> 30 2 . 1 . . 1.427 . 1 1 1 15 LYS HG2 . . . . . . 259 . 18729 7 >> 30 3 . 1 . . 114.877 . 1 1 1 16 MET N . . . . . . 39 . 18729 7 >> 31 1 . 1 . . 7.654 . 1 1 1 17 GLY H . . . . . . 20 . 18729 7 >> 31 2 . 1 . . 2.504 . 1 1 1 16 MET HG2 . . . . . . 263 . 18729 7 >> 31 3 . 1 . . 109.274 . 1 1 1 17 GLY N . . . . . . 21 . 18729 7 >> 32 1 . 1 . . 7.653 . 1 1 1 17 GLY H . . . . . . 20 . 18729 7 >> 32 2 . 1 . . 2.311 . 1 1 1 16 MET HB3 . . . . . . 200 . 18729 7 >> 32 3 . 1 . . 109.269 . 1 1 1 17 GLY N . . . . . . 21 . 18729 7 >> 33 1 . 1 . . 7.651 . 1 1 1 17 GLY H . . . . . . 20 . 18729 7 >> 33 2 . 1 . . 1.754 . 1 1 1 16 MET HB2 . . . . . . 199 . 18729 7 >> 33 3 . 1 . . 109.231 . 1 1 1 17 GLY N . . . . . . 21 . 18729 7 >> 34 1 . 1 . . 7.653 . 1 1 1 17 GLY H . . . . . . 20 . 18729 7 >> 34 2 . 1 . . 2.556 . 1 1 1 16 MET HG3 . . . . . . 264 . 18729 7 >> 34 3 . 1 . . 109.274 . 1 1 1 17 GLY N . . . . . . 21 . 18729 7 >> 35 1 . 1 . . 7.652 . 1 1 1 17 GLY H . . . . . . 20 . 18729 7 >> 35 2 . 1 . . 4.803 . 1 1 1 16 MET HA . . . . . . 201 . 18729 7 >> 35 3 . 1 . . 109.258 . 1 1 1 17 GLY N . . . . . . 21 . 18729 7 >> 36 1 . 1 . . 8.602 . 1 1 1 18 ASP H . . . . . . 56 . 18729 7 >> 36 2 . 1 . . 4.432 . 1 1 1 17 GLY HA3 . . . . . . 157 . 18729 7 >> 36 3 . 1 . . 119.888 . 1 1 1 18 ASP N . . . . . . 57 . 18729 7 >> 37 1 . 1 . . 8.602 . 1 1 1 18 ASP H . . . . . . 56 . 18729 7 >> 37 2 . 1 . . 3.819 . 1 1 1 17 GLY HA2 . . . . . . 156 . 18729 7 >> 37 3 . 1 . . 119.849 . 1 1 1 18 ASP N . . . . . . 57 . 18729 7 >> 38 1 . 1 . . 8.214 . 1 1 1 19 TRP H . . . . . . 46 . 18729 7 >> 38 2 . 1 . . 4.895 . 1 1 1 18 ASP HA . . . . . . 198 . 18729 7 >> 38 3 . 1 . . 126.861 . 1 1 1 19 TRP N . . . . . . 47 . 18729 7 >> 39 1 . 1 . . 9.444 . 1 1 1 20 CYS H . . . . . . 30 . 18729 7 >> 39 2 . 1 . . 3.640 . 1 1 1 19 TRP HB3 . . . . . . 194 . 18729 7 >> 39 3 . 1 . . 120.754 . 1 1 1 20 CYS N . . . . . . 31 . 18729 7 >> 40 1 . 1 . . 9.445 . 1 1 1 20 CYS H . . . . . . 30 . 18729 7 >> 40 2 . 1 . . 3.051 . 1 1 1 19 TRP HB2 . . . . . . 193 . 18729 7 >> 40 3 . 1 . . 120.739 . 1 1 1 20 CYS N . . . . . . 31 . 18729 7 >> 41 1 . 1 . . 9.446 . 1 1 1 20 CYS H . . . . . . 30 . 18729 7 >> 41 2 . 1 . . 4.884 . 1 1 1 19 TRP HA . . . . . . 195 . 18729 7 >> 41 3 . 1 . . 120.747 . 1 1 1 20 CYS N . . . . . . 31 . 18729 7 >> 42 1 . 1 . . 9.259 . 1 1 1 21 CYS H . . . . . . 3 . 18729 7 >> 42 2 . 1 . . 4.864 . 1 1 1 20 CYS HA . . . . . . 192 . 18729 7 >> 42 3 . 2 . . 122.619 . 1 1 1 21 CYS N . . . . . . 4 . 18729 7 >> 43 1 . 1 . . 8.875 . 1 1 1 22 GLY H . . . . . . 16 . 18729 7 >> 43 2 . 1 . . 4.573 . 1 1 1 21 CYS HA . . . . . . 189 . 18729 7 >> 43 3 . 1 . . 109.362 . 1 1 1 22 GLY N . . . . . . 17 . 18729 7 >> 44 1 . 1 . . 8.870 . 1 1 1 22 GLY H . . . . . . 16 . 18729 7 >> 44 2 . 1 . . 2.746 . 1 1 1 21 CYS HB2 . . . . . . 187 . 18729 7 >> 44 3 . 1 . . 109.419 . 1 1 1 22 GLY N . . . . . . 17 . 18729 7 >> 45 1 . 1 . . 8.874 . 1 1 1 22 GLY H . . . . . . 16 . 18729 7 >> 45 2 . 1 . . 3.289 . 1 1 1 21 CYS HB3 . . . . . . 188 . 18729 7 >> 45 3 . 1 . . 109.509 . 1 1 1 22 GLY N . . . . . . 17 . 18729 7 >> 46 1 . 1 . . 9.146 . 1 1 1 23 ARG H . . . . . . 52 . 18729 7 >> 46 2 . 1 . . 4.266 . 1 1 1 22 GLY HA3 . . . . . . 186 . 18729 7 >> 46 3 . 1 . . 125.357 . 1 1 1 23 ARG N . . . . . . 53 . 18729 7 >> 47 1 . 1 . . 9.145 . 1 1 1 23 ARG H . . . . . . 52 . 18729 7 >> 47 2 . 1 . . 3.827 . 1 1 1 22 GLY HA2 . . . . . . 185 . 18729 7 >> 47 3 . 1 . . 125.357 . 1 1 1 23 ARG N . . . . . . 53 . 18729 7 >> 48 1 . 1 . . 10.612 . 1 1 1 24 CYS H . . . . . . 40 . 18729 7 >> 48 2 . 1 . . 1.663 . 1 1 1 23 ARG HB3 . . . . . . 184 . 18729 7 >> 48 2 . 2 . . 1.663 . 1 1 1 23 ARG HB2 . . . . . . 183 . 18729 7 >> 48 3 . 1 . . 127.176 . 1 1 1 24 CYS N . . . . . . 41 . 18729 7 >> 49 1 . 1 . . 10.614 . 1 1 1 24 CYS H . . . . . . 40 . 18729 7 >> 49 2 . 1 . . 3.227 . 1 1 1 23 ARG HD2 . . . . . . 265 . 18729 7 >> 49 2 . 2 . . 3.227 . 1 1 1 23 ARG HD3 . . . . . . 266 . 18729 7 >> 49 3 . 1 . . 127.189 . 1 1 1 24 CYS N . . . . . . 41 . 18729 7 >> 50 1 . 1 . . 8.762 . 1 1 1 25 ILE H . . . . . . 12 . 18729 7 >> 50 2 . 1 . . 4.717 . 1 1 1 24 CYS HA . . . . . . 179 . 18729 7 >> 50 3 . 1 . . 132.488 . 1 1 1 25 ILE N . . . . . . 13 . 18729 7 >> 51 1 . 1 . . 9.274 . 1 1 1 26 ARG H . . . . . . 26 . 18729 7 >> 51 2 . 1 . . 4.315 . 1 1 1 25 ILE HA . . . . . . 177 . 18729 7 >> 51 3 . 1 . . 128.827 . 1 1 1 26 ARG N . . . . . . 27 . 18729 7 >> 52 1 . 1 . . 9.269 . 1 1 1 26 ARG H . . . . . . 26 . 18729 7 >> 52 2 . 1 . . 1.792 . 1 1 1 25 ILE HB . . . . . . 178 . 18729 7 >> 52 3 . 1 . . 128.848 . 1 1 1 26 ARG N . . . . . . 27 . 18729 7 >> 53 1 . 1 . . 9.273 . 1 1 1 26 ARG H . . . . . . 26 . 18729 7 >> 53 2 . 1 . . 0.912 . 1 1 1 25 ILE MG . . . . . . 268 . 18729 7 >> 53 3 . 1 . . 128.797 . 1 1 1 26 ARG N . . . . . . 27 . 18729 7 >> 54 1 . 1 . . 9.277 . 1 1 1 26 ARG H . . . . . . 26 . 18729 7 >> 54 2 . 1 . . 0.817 . 1 1 1 25 ILE MD . . . . . . 267 . 18729 7 >> 54 3 . 1 . . 128.809 . 1 1 1 26 ARG N . . . . . . 27 . 18729 7 >> 55 1 . 1 . . 8.363 . 1 1 1 27 ASN H . . . . . . 1 . 18729 7 >> 55 2 . 1 . . 3.279 . 1 1 1 26 ARG HD3 . . . . . . 269 . 18729 7 >> 55 3 . 1 . . 106.079 . 1 1 1 27 ASN N . . . . . . 2 . 18729 7 >> 56 1 . 1 . . 7.865 . 1 1 1 28 GLU H . . . . . . 22 . 18729 7 >> 56 2 . 1 . . 4.351 . 1 1 1 27 ASN HA . . . . . . 170 . 18729 7 >> 56 3 . 1 . . 121.253 . 1 1 1 28 GLU N . . . . . . 23 . 18729 7 >> 57 1 . 1 . . 7.862 . 1 1 1 28 GLU H . . . . . . 22 . 18729 7 >> 57 2 . 1 . . 3.283 . 1 1 1 27 ASN HB2 . . . . . . 171 . 18729 7 >> 57 3 . 1 . . 121.273 . 1 1 1 28 GLU N . . . . . . 23 . 18729 7 >> 58 1 . 1 . . 7.865 . 1 1 1 28 GLU H . . . . . . 22 . 18729 7 >> 58 2 . 1 . . 2.936 . 1 1 1 27 ASN HB3 . . . . . . 172 . 18729 7 >> 58 3 . 1 . . 121.225 . 1 1 1 28 GLU N . . . . . . 23 . 18729 7 >> 59 1 . 1 . . 8.985 . 1 1 1 29 CYS H . . . . . . 61 . 18729 7 >> 59 2 . 1 . . 5.056 . 1 1 1 28 GLU HA . . . . . . 167 . 18729 7 >> 59 3 . 1 . . 125.058 . 1 1 1 29 CYS N . . . . . . 62 . 18729 7 >> 60 1 . 1 . . 8.989 . 1 1 1 29 CYS H . . . . . . 61 . 18729 7 >> 60 2 . 1 . . 2.189 . 1 1 1 28 GLU HG3 . . . . . . 272 . 18729 7 >> 60 2 . 2 . . 2.189 . 1 1 1 28 GLU HG2 . . . . . . 273 . 18729 7 >> 60 3 . 1 . . 125.091 . 1 1 1 29 CYS N . . . . . . 62 . 18729 7 >> 61 1 . 1 . . 8.986 . 1 1 1 29 CYS H . . . . . . 61 . 18729 7 >> 61 2 . 1 . . 1.924 . 1 1 1 28 GLU HB3 . . . . . . 168 . 18729 7 >> 61 2 . 2 . . 1.924 . 1 1 1 28 GLU HB2 . . . . . . 169 . 18729 7 >> 61 3 . 1 . . 125.118 . 1 1 1 29 CYS N . . . . . . 62 . 18729 7 >> 62 1 . 1 . . 9.615 . 1 1 1 30 ARG H . . . . . . 59 . 18729 7 >> 62 2 . 1 . . 5.268 . 1 1 1 29 CYS HA . . . . . . 164 . 18729 7 >> 62 3 . 1 . . 125.142 . 1 1 1 30 ARG N . . . . . . 60 . 18729 7 >> 63 1 . 1 . . 8.694 . 1 1 1 31 ASN H . . . . . . 24 . 18729 7 >> 63 2 . 1 . . 2.086 . 1 1 1 30 ARG HB3 . . . . . . 163 . 18729 7 >> 63 3 . 1 . . 115.800 . 1 1 1 31 ASN N . . . . . . 25 . 18729 7 >> 64 1 . 1 . . 8.675 . 1 1 1 31 ASN H . . . . . . 24 . 18729 7 >> 64 2 . 1 . . 1.789 . 1 1 1 30 ARG HB2 . . . . . . 162 . 18729 7 >> 64 3 . 1 . . 115.853 . 1 1 1 31 ASN N . . . . . . 25 . 18729 7 >> 65 1 . 1 . . 8.694 . 1 1 1 31 ASN H . . . . . . 24 . 18729 7 >> 65 2 . 2 . . 3.194 . 1 1 1 30 ARG HD3 . . . . . . 275 . 18729 7 >> 65 3 . 1 . . 115.746 . 1 1 1 31 ASN N . . . . . . 25 . 18729 7 >> 66 1 . 1 . . 8.689 . 1 1 1 31 ASN H . . . . . . 24 . 18729 7 >> 66 2 . 1 . . 4.765 . 1 1 1 30 ARG HA . . . . . . 161 . 18729 7 >> 66 3 . 1 . . 115.853 . 1 1 1 31 ASN N . . . . . . 25 . 18729 7 >> 67 1 . 1 . . 8.413 . 1 1 1 32 GLY H . . . . . . 44 . 18729 7 >> 67 2 . 1 . . 4.574 . 1 1 1 31 ASN HA . . . . . . 158 . 18729 7 >> 67 3 . 1 . . 114.576 . 1 1 1 32 GLY N . . . . . . 45 . 18729 7 >> 68 1 . 1 . . 7.923 . 1 1 1 16 MET H . . . . . . 38 . 18729 7 >> 68 2 . 1 . . 4.431 . 1 1 1 15 LYS HA . . . . . . 204 . 18729 7 >> 68 3 . 1 . . 114.875 . 1 1 1 16 MET N . . . . . . 39 . 18729 7 >> 69 1 . 1 . . 7.920 . 1 1 1 16 MET H . . . . . . 38 . 18729 7 >> 69 2 . 1 . . 1.887 . 1 1 1 15 LYS HB3 . . . . . . 203 . 18729 7 >> 69 3 . 1 . . 114.952 . 1 1 1 16 MET N . . . . . . 39 . 18729 7 >> 70 1 . 1 . . 8.106 . 1 1 1 12 ASP H . . . . . . 14 . 18729 7 >> 70 2 . 1 . . 0.726 . 1 1 1 11 PRO HG3 . . . . . . 284 . 18729 7 >> 70 3 . 1 . . 117.110 . 1 1 1 12 ASP N . . . . . . 15 . 18729 7 >> 71 1 . 1 . . 8.106 . 1 1 1 12 ASP H . . . . . . 14 . 18729 7 >> 71 2 . 1 . . 0.794 . 1 1 1 11 PRO HG2 . . . . . . 285 . 18729 7 >> 71 3 . 1 . . 117.110 . 1 1 1 12 ASP N . . . . . . 15 . 18729 7 >> 72 1 . 1 . . 7.921 . 1 1 1 16 MET H . . . . . . 38 . 18729 7 >> 72 2 . 1 . . 1.518 . 1 1 1 15 LYS HG3 . . . . . . 260 . 18729 7 >> 72 3 . 1 . . 114.877 . 1 1 1 16 MET N . . . . . . 39 . 18729 7 >> 73 1 . 1 . . 8.356 . 1 1 1 27 ASN H . . . . . . 1 . 18729 7 >> 73 2 . 1 . . 1.997 . 1 1 1 26 ARG HB3 . . . . . . 176 . 18729 7 >> 73 3 . 1 . . 106.149 . 1 1 1 27 ASN N . . . . . . 2 . 18729 7 >> 74 1 . 1 . . 8.354 . 1 1 1 27 ASN H . . . . . . 1 . 18729 7 >> 74 2 . 1 . . 1.851 . 1 1 1 26 ARG HB2 . . . . . . 174 . 18729 7 >> 74 3 . 1 . . 106.090 . 1 1 1 27 ASN N . . . . . . 2 . 18729 7 >> 75 1 . 1 . . 8.737 . 1 1 1 14 GLU H . . . . . . 48 . 18729 7 >> 75 2 . 1 . . 2.082 . 1 1 1 13 PRO HG2 . . . . . . 253 . 18729 7 >> 75 3 . 1 . . 119.920 . 1 1 1 14 GLU N . . . . . . 49 . 18729 7 >> 76 1 . 1 . . 8.694 . 1 1 1 31 ASN H . . . . . . 24 . 18729 7 >> 76 2 . 1 . . 3.258 . 1 1 1 30 ARG HD2 . . . . . . 274 . 18729 7 >> 76 3 . 1 . . 115.746 . 1 1 1 31 ASN N . . . . . . 25 . 18729 7 >> 77 1 . 1 . . 8.360 . 1 1 1 27 ASN H . . . . . . 1 . 18729 7 >> 77 2 . 2 . . 3.220 . 1 1 1 26 ARG HD2 . . . . . . 270 . 18729 7 >> 77 3 . 1 . . 106.079 . 1 1 1 27 ASN N . . . . . . 2 . 18729 7 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5_6_7_8 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '3D C(CO)NH' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 C 13C 3 N 15N stop_ _Sample_label $13C_15N _Sample_conditions_label $Standard _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4_5_6_7_8 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8 >> _Spectral_peak_list.Entry_ID 18729 >> _Spectral_peak_list.ID 8 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $13C_15N >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Standard >> _Spectral_peak_list.Experiment_ID 8 >> _Spectral_peak_list.Experiment_name '3D C(CO)NH' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . 2968.75000000 . . . 18729 8 >> 2 C 13 13C . 10000.00000000 . . . 18729 8 >> 3 N 15 15N . 2129.24518258 . . . 18729 8 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18729 8 >> 2 1.0 . 18729 8 >> 3 1.0 . 18729 8 >> 4 1.0 . 18729 8 >> 5 1.0 . 18729 8 >> 6 1.0 . 18729 8 >> 7 1.0 . 18729 8 >> 8 1.0 . 18729 8 >> 9 1.0 . 18729 8 >> 10 1.0 . 18729 8 >> 11 1.0 . 18729 8 >> 12 1.0 . 18729 8 >> 13 1.0 . 18729 8 >> 14 1.0 . 18729 8 >> 15 1.0 . 18729 8 >> 16 1.0 . 18729 8 >> 17 1.0 . 18729 8 >> 18 1.0 . 18729 8 >> 19 1.0 . 18729 8 >> 20 1.0 . 18729 8 >> 21 1.0 . 18729 8 >> 22 1.0 . 18729 8 >> 23 1.0 . 18729 8 >> 24 1.0 . 18729 8 >> 25 1.0 . 18729 8 >> 26 1.0 . 18729 8 >> 27 1.0 . 18729 8 >> 28 1.0 . 18729 8 >> 29 1.0 . 18729 8 >> 30 1.0 . 18729 8 >> 31 1.0 . 18729 8 >> 32 1.0 . 18729 8 >> 33 1.0 . 18729 8 >> 34 1.0 . 18729 8 >> 35 1.0 . 18729 8 >> 36 1.0 . 18729 8 >> 37 1.0 . 18729 8 >> 38 1.0 . 18729 8 >> 39 1.0 . 18729 8 >> 40 1.0 . 18729 8 >> 41 1.0 . 18729 8 >> 42 1.0 . 18729 8 >> 43 1.0 . 18729 8 >> 44 1.0 . 18729 8 >> 45 1.0 . 18729 8 >> 46 1.0 . 18729 8 >> 47 1.0 . 18729 8 >> 48 1.0 . 18729 8 >> 49 1.0 . 18729 8 >> 50 1.0 . 18729 8 >> 51 1.0 . 18729 8 >> 52 1.0 . 18729 8 >> 53 1.0 . 18729 8 >> 54 1.0 . 18729 8 >> 55 1.0 . 18729 8 >> 56 1.0 . 18729 8 >> 57 1.0 . 18729 8 >> 58 1.0 . 18729 8 >> 59 1.0 . 18729 8 >> 60 1.0 . 18729 8 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 2472910.000 . height 18729 8 >> 1 52473991.750 . volume 18729 8 >> 2 5680181.000 . height 18729 8 >> 2 122424861.500 . volume 18729 8 >> 3 5137070.000 . height 18729 8 >> 3 109973269.250 . volume 18729 8 >> 4 1235443.375 . height 18729 8 >> 4 27768074.000 . volume 18729 8 >> 5 1154038.250 . height 18729 8 >> 5 24724553.625 . volume 18729 8 >> 6 778399.750 . height 18729 8 >> 6 16609930.625 . volume 18729 8 >> 7 3875748.000 . height 18729 8 >> 7 82336880.500 . volume 18729 8 >> 8 1886278.125 . height 18729 8 >> 8 39486528.625 . volume 18729 8 >> 9 5136749.500 . height 18729 8 >> 9 109515077.750 . volume 18729 8 >> 10 6844131.000 . height 18729 8 >> 10 143500975.250 . volume 18729 8 >> 11 6865402.000 . height 18729 8 >> 11 145122896.000 . volume 18729 8 >> 12 1174080.250 . height 18729 8 >> 12 25656550.500 . volume 18729 8 >> 13 3198323.500 . height 18729 8 >> 13 68870783.000 . volume 18729 8 >> 14 1297641.875 . height 18729 8 >> 14 27743636.000 . volume 18729 8 >> 15 514950.375 . height 18729 8 >> 15 11311251.375 . volume 18729 8 >> 16 370175.000 . height 18729 8 >> 16 8073225.375 . volume 18729 8 >> 17 425836.750 . height 18729 8 >> 17 9234712.000 . volume 18729 8 >> 18 833278.000 . height 18729 8 >> 18 17692350.250 . volume 18729 8 >> 19 712742.750 . height 18729 8 >> 19 15388182.750 . volume 18729 8 >> 20 1477458.625 . height 18729 8 >> 20 31293488.875 . volume 18729 8 >> 21 471819.250 . height 18729 8 >> 21 9894938.500 . volume 18729 8 >> 22 4285751.000 . height 18729 8 >> 22 93117054.500 . volume 18729 8 >> 23 1533975.625 . height 18729 8 >> 23 33022835.125 . volume 18729 8 >> 24 880304.125 . height 18729 8 >> 24 18869421.250 . volume 18729 8 >> 25 1179029.375 . height 18729 8 >> 25 26114208.750 . volume 18729 8 >> 26 607121.000 . height 18729 8 >> 26 13829569.250 . volume 18729 8 >> 27 524570.375 . height 18729 8 >> 27 12109183.125 . volume 18729 8 >> 28 486149.000 . height 18729 8 >> 28 10960205.500 . volume 18729 8 >> 29 1555495.125 . height 18729 8 >> 29 34304197.125 . volume 18729 8 >> 30 1027719.500 . height 18729 8 >> 30 22766931.875 . volume 18729 8 >> 31 685669.875 . height 18729 8 >> 31 15383323.375 . volume 18729 8 >> 32 5582626.500 . height 18729 8 >> 32 116974724.250 . volume 18729 8 >> 33 3583872.000 . height 18729 8 >> 33 77509675.500 . volume 18729 8 >> 34 829789.375 . height 18729 8 >> 34 18311408.000 . volume 18729 8 >> 35 2701427.500 . height 18729 8 >> 35 58499131.125 . volume 18729 8 >> 36 4135745.000 . height 18729 8 >> 36 88516897.250 . volume 18729 8 >> 37 3249992.750 . height 18729 8 >> 37 70525733.000 . volume 18729 8 >> 38 576059.625 . height 18729 8 >> 38 12562421.625 . volume 18729 8 >> 39 5103071.000 . height 18729 8 >> 39 108987878.250 . volume 18729 8 >> 40 404313.125 . height 18729 8 >> 40 8781708.500 . volume 18729 8 >> 41 481748.625 . height 18729 8 >> 41 10852557.750 . volume 18729 8 >> 42 3348159.500 . height 18729 8 >> 42 72833529.750 . volume 18729 8 >> 43 656450.750 . height 18729 8 >> 43 14347707.250 . volume 18729 8 >> 44 448861.500 . height 18729 8 >> 44 9572101.000 . volume 18729 8 >> 45 276584.625 . height 18729 8 >> 45 5648591.125 . volume 18729 8 >> 46 460966.375 . height 18729 8 >> 46 10144022.875 . volume 18729 8 >> 47 396643.000 . height 18729 8 >> 47 8687495.375 . volume 18729 8 >> 48 3665103.500 . height 18729 8 >> 48 78106467.375 . volume 18729 8 >> 49 209794.125 . height 18729 8 >> 49 4592475.250 . volume 18729 8 >> 50 2559709.750 . height 18729 8 >> 50 55446876.625 . volume 18729 8 >> 51 646656.375 . height 18729 8 >> 51 14078896.750 . volume 18729 8 >> 52 3992391.500 . height 18729 8 >> 52 85754036.750 . volume 18729 8 >> 53 913989.500 . height 18729 8 >> 53 19688872.875 . volume 18729 8 >> 54 846054.750 . height 18729 8 >> 54 19081378.375 . volume 18729 8 >> 55 2478264.750 . height 18729 8 >> 55 54582093.000 . volume 18729 8 >> 56 4856962.500 . height 18729 8 >> 56 102995774.500 . volume 18729 8 >> 57 439054.000 . height 18729 8 >> 57 9425242.625 . volume 18729 8 >> 58 2999949.000 . height 18729 8 >> 58 64952372.750 . volume 18729 8 >> 59 619900.750 . height 18729 8 >> 59 13430165.750 . volume 18729 8 >> 60 7223802.000 . height 18729 8 >> 60 154102401.250 . volume 18729 8 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 8.268 . 25.2911448479 . . . . . . . . . . 1 18729 8 >> 1 2 56.284 . 88.2998108864 . . . . . . . . . . 1 18729 8 >> 1 3 118.122 . 35.3652956538 . . . . . . . . . . 1 18729 8 >> 2 1 8.269 . 26.7605483532 . . . . . . . . . . 1 18729 8 >> 2 2 36.367 . 87.7219438553 . . . . . . . . . . 1 18729 8 >> 2 3 118.136 . 37.0550140410 . . . . . . . . . . 1 18729 8 >> 3 1 8.817 . 27.1585583687 . . . . . . . . . . 1 18729 8 >> 3 2 54.121 . 82.1733474731 . . . . . . . . . . 1 18729 8 >> 3 3 121.945 . 38.2629075929 . . . . . . . . . . 1 18729 8 >> 4 1 9.001 . 25.6783515215 . . . . . . . . . . 1 18729 8 >> 4 2 32.390 . 143.7997817990 . . . . . . . . . . 1 18729 8 >> 4 3 129.874 . 37.3971712268 . . . . . . . . . . 1 18729 8 >> 5 1 9.004 . 25.3690779209 . . . . . . . . . . 1 18729 8 >> 5 2 22.217 . 91.1706686020 . . . . . . . . . . 1 18729 8 >> 5 3 129.838 . 36.9782000066 . . . . . . . . . . 1 18729 8 >> 6 1 9.003 . 27.4807214737 . . . . . . . . . . 1 18729 8 >> 6 2 64.103 . 79.9436867237 . . . . . . . . . . 1 18729 8 >> 6 3 129.855 . 36.3731110145 . . . . . . . . . . 1 18729 8 >> 7 1 8.714 . 27.3166596889 . . . . . . . . . . 1 18729 8 >> 7 2 35.949 . 92.8455591202 . . . . . . . . . . 1 18729 8 >> 7 3 119.306 . 34.7596038255 . . . . . . . . . . 1 18729 8 >> 8 1 8.714 . 28.2390415668 . . . . . . . . . . 1 18729 8 >> 8 2 56.148 . 89.6513462067 . . . . . . . . . . 1 18729 8 >> 8 3 119.303 . 33.0040176418 . . . . . . . . . . 1 18729 8 >> 9 1 9.574 . 28.1303375959 . . . . . . . . . . 1 18729 8 >> 9 2 54.150 . 81.7108154297 . . . . . . . . . . 1 18729 8 >> 9 3 113.162 . 37.4324530138 . . . . . . . . . . 1 18729 8 >> 10 1 8.334 . 27.4559855461 . . . . . . . . . . 1 18729 8 >> 10 2 44.770 . 79.2217254639 . . . . . . . . . . 1 18729 8 >> 10 3 108.246 . 35.2755682316 . . . . . . . . . . 1 18729 8 >> 11 1 8.440 . 25.6717205048 . . . . . . . . . . 1 18729 8 >> 11 2 44.654 . 81.7364454269 . . . . . . . . . . 1 18729 8 >> 11 3 120.638 . 36.7672390340 . . . . . . . . . . 1 18729 8 >> 12 1 6.945 . 27.1254777908 . . . . . . . . . . 1 18729 8 >> 12 2 58.502 . 102.6627421380 . . . . . . . . . . 1 18729 8 >> 12 3 122.603 . 36.3927190580 . . . . . . . . . . 1 18729 8 >> 13 1 6.945 . 27.6860594749 . . . . . . . . . . 1 18729 8 >> 13 2 39.769 . 83.7653875351 . . . . . . . . . . 1 18729 8 >> 13 3 122.585 . 38.3113248653 . . . . . . . . . . 1 18729 8 >> 14 1 8.128 . 23.2799351215 . . . . . . . . . . 1 18729 8 >> 14 2 49.619 . 95.5057144165 . . . . . . . . . . 1 18729 8 >> 14 3 117.154 . 36.7487732067 . . . . . . . . . . 1 18729 8 >> 15 1 8.129 . 26.5428423882 . . . . . . . . . . 1 18729 8 >> 15 2 32.673 . 111.2061738970 . . . . . . . . . . 1 18729 8 >> 15 3 117.092 . 37.7013814547 . . . . . . . . . . 1 18729 8 >> 16 1 8.125 . 28.8522243500 . . . . . . . . . . 1 18729 8 >> 16 2 60.817 . 101.2343168260 . . . . . . . . . . 1 18729 8 >> 16 3 117.120 . 33.9706497655 . . . . . . . . . . 1 18729 8 >> 17 1 8.126 . 24.6861577034 . . . . . . . . . . 1 18729 8 >> 17 2 25.908 . 101.4828681950 . . . . . . . . . . 1 18729 8 >> 17 3 117.206 . 40.5166903764 . . . . . . . . . . 1 18729 8 >> 18 1 8.747 . 25.2664089203 . . . . . . . . . . 1 18729 8 >> 18 2 32.022 . 97.1871614456 . . . . . . . . . . 1 18729 8 >> 18 3 119.931 . 32.8557833714 . . . . . . . . . . 1 18729 8 >> 19 1 8.742 . 29.8956036568 . . . . . . . . . . 1 18729 8 >> 19 2 27.853 . 93.6764478683 . . . . . . . . . . 1 18729 8 >> 19 3 119.947 . 33.5245509124 . . . . . . . . . . 1 18729 8 >> 20 1 8.748 . 25.4908204079 . . . . . . . . . . 1 18729 8 >> 20 2 51.640 . 89.2812013626 . . . . . . . . . . 1 18729 8 >> 20 3 119.912 . 34.8948295233 . . . . . . . . . . 1 18729 8 >> 21 1 8.748 . 24.9694287777 . . . . . . . . . . 1 18729 8 >> 21 2 63.688 . 113.2467389110 . . . . . . . . . . 1 18729 8 >> 21 3 119.900 . 31.6188902212 . . . . . . . . . . 1 18729 8 >> 22 1 7.464 . 27.2116065025 . . . . . . . . . . 1 18729 8 >> 22 2 36.695 . 91.9419527054 . . . . . . . . . . 1 18729 8 >> 22 3 116.349 . 38.1380887531 . . . . . . . . . . 1 18729 8 >> 23 1 7.464 . 26.8353521824 . . . . . . . . . . 1 18729 8 >> 23 2 58.678 . 87.3136520386 . . . . . . . . . . 1 18729 8 >> 23 3 116.350 . 36.5842940847 . . . . . . . . . . 1 18729 8 >> 24 1 7.936 . 26.5637040138 . . . . . . . . . . 1 18729 8 >> 24 2 57.193 . 92.4688577652 . . . . . . . . . . 1 18729 8 >> 24 3 114.917 . 36.9765818671 . . . . . . . . . . 1 18729 8 >> 25 1 7.936 . 25.7772207260 . . . . . . . . . . 1 18729 8 >> 25 2 42.172 . 96.0952043533 . . . . . . . . . . 1 18729 8 >> 25 3 114.944 . 41.2515160833 . . . . . . . . . . 1 18729 8 >> 26 1 7.929 . 31.9695472717 . . . . . . . . . . 1 18729 8 >> 26 2 34.294 . 133.1466436390 . . . . . . . . . . 1 18729 8 >> 26 3 114.911 . 37.5474361037 . . . . . . . . . . 1 18729 8 >> 27 1 7.938 . 28.8161635399 . . . . . . . . . . 1 18729 8 >> 27 2 29.029 . 169.5030927660 . . . . . . . . . . 1 18729 8 >> 27 3 114.902 . 38.1234937692 . . . . . . . . . . 1 18729 8 >> 28 1 7.938 . 28.5132229328 . . . . . . . . . . 1 18729 8 >> 28 2 25.453 . 119.2688941960 . . . . . . . . . . 1 18729 8 >> 28 3 114.890 . 41.6144869851 . . . . . . . . . . 1 18729 8 >> 29 1 7.669 . 26.5228748322 . . . . . . . . . . 1 18729 8 >> 29 2 33.982 . 109.5908880230 . . . . . . . . . . 1 18729 8 >> 29 3 109.289 . 37.7404706288 . . . . . . . . . . 1 18729 8 >> 30 1 7.671 . 24.9467790127 . . . . . . . . . . 1 18729 8 >> 30 2 32.901 . 120.1957464220 . . . . . . . . . . 1 18729 8 >> 30 3 109.290 . 36.7442043422 . . . . . . . . . . 1 18729 8 >> 31 1 7.669 . 29.4260680676 . . . . . . . . . . 1 18729 8 >> 31 2 55.003 . 107.2734594350 . . . . . . . . . . 1 18729 8 >> 31 3 109.298 . 38.6552588318 . . . . . . . . . . 1 18729 8 >> 32 1 8.616 . 27.3276865482 . . . . . . . . . . 1 18729 8 >> 32 2 44.453 . 79.6580314636 . . . . . . . . . . 1 18729 8 >> 32 3 119.899 . 35.7452728847 . . . . . . . . . . 1 18729 8 >> 33 1 8.230 . 27.6744365692 . . . . . . . . . . 1 18729 8 >> 33 2 53.630 . 86.1984491348 . . . . . . . . . . 1 18729 8 >> 33 3 126.931 . 38.0792011662 . . . . . . . . . . 1 18729 8 >> 34 1 9.454 . 26.8351286650 . . . . . . . . . . 1 18729 8 >> 34 2 55.512 . 119.6599006650 . . . . . . . . . . 1 18729 8 >> 34 3 120.748 . 36.2804011391 . . . . . . . . . . 1 18729 8 >> 35 1 9.454 . 26.1759757996 . . . . . . . . . . 1 18729 8 >> 35 2 30.255 . 93.8153266907 . . . . . . . . . . 1 18729 8 >> 35 3 120.744 . 37.5140580102 . . . . . . . . . . 1 18729 8 >> 36 1 9.269 . 26.4595448971 . . . . . . . . . . 1 18729 8 >> 36 2 55.298 . 82.2675228119 . . . . . . . . . . 1 18729 8 >> 36 3 122.659 . 37.8128744398 . . . . . . . . . . 1 18729 8 >> 37 1 8.888 . 28.4677743912 . . . . . . . . . . 1 18729 8 >> 37 2 57.028 . 88.5576009750 . . . . . . . . . . 1 18729 8 >> 37 3 109.415 . 36.7127299423 . . . . . . . . . . 1 18729 8 >> 38 1 8.890 . 33.5037708282 . . . . . . . . . . 1 18729 8 >> 38 2 38.952 . 108.8893413540 . . . . . . . . . . 1 18729 8 >> 38 3 109.410 . 32.4311962552 . . . . . . . . . . 1 18729 8 >> 39 1 9.157 . 27.5317579508 . . . . . . . . . . 1 18729 8 >> 39 2 44.771 . 80.3053379059 . . . . . . . . . . 1 18729 8 >> 39 3 125.393 . 38.1613772707 . . . . . . . . . . 1 18729 8 >> 40 1 10.612 . 28.0541740358 . . . . . . . . . . 1 18729 8 >> 40 2 54.236 . 105.9544086460 . . . . . . . . . . 1 18729 8 >> 40 3 127.217 . 34.2110862598 . . . . . . . . . . 1 18729 8 >> 41 1 10.624 . 30.1492586732 . . . . . . . . . . 1 18729 8 >> 41 2 34.686 . 124.2029666900 . . . . . . . . . . 1 18729 8 >> 41 3 127.205 . 38.6265130593 . . . . . . . . . . 1 18729 8 >> 42 1 8.774 . 27.8092920780 . . . . . . . . . . 1 18729 8 >> 42 2 56.736 . 94.2060351372 . . . . . . . . . . 1 18729 8 >> 42 3 132.538 . 36.7804697041 . . . . . . . . . . 1 18729 8 >> 43 1 9.283 . 28.1903147697 . . . . . . . . . . 1 18729 8 >> 43 2 39.577 . 100.4225015640 . . . . . . . . . . 1 18729 8 >> 43 3 128.927 . 36.0702651004 . . . . . . . . . . 1 18729 8 >> 44 1 9.286 . 26.6718119383 . . . . . . . . . . 1 18729 8 >> 44 2 60.212 . 84.1781497002 . . . . . . . . . . 1 18729 8 >> 44 3 128.775 . 37.5346813569 . . . . . . . . . . 1 18729 8 >> 45 1 9.284 . 20.9724903107 . . . . . . . . . . 1 18729 8 >> 45 2 12.290 . 82.9969160259 . . . . . . . . . . 1 18729 8 >> 45 3 128.890 . 35.3956595658 . . . . . . . . . . 1 18729 8 >> 46 1 9.284 . 24.7285515070 . . . . . . . . . . 1 18729 8 >> 46 2 17.267 . 121.0743188860 . . . . . . . . . . 1 18729 8 >> 46 3 128.928 . 36.5183945600 . . . . . . . . . . 1 18729 8 >> 47 1 8.375 . 30.9354066849 . . . . . . . . . . 1 18729 8 >> 47 2 27.671 . 91.4281606674 . . . . . . . . . . 1 18729 8 >> 47 3 106.125 . 36.6101843169 . . . . . . . . . . 1 18729 8 >> 48 1 8.379 . 26.0333716869 . . . . . . . . . . 1 18729 8 >> 48 2 43.434 . 85.8056545258 . . . . . . . . . . 1 18729 8 >> 48 3 106.097 . 37.1302733923 . . . . . . . . . . 1 18729 8 >> 49 1 8.379 . 23.5788524151 . . . . . . . . . . 1 18729 8 >> 49 2 57.530 . 154.0383696560 . . . . . . . . . . 1 18729 8 >> 49 3 106.117 . 33.0167723885 . . . . . . . . . . 1 18729 8 >> 50 1 10.619 . 30.1189348102 . . . . . . . . . . 1 18729 8 >> 50 2 43.690 . 89.6000862122 . . . . . . . . . . 1 18729 8 >> 50 3 127.223 . 35.7120851606 . . . . . . . . . . 1 18729 8 >> 51 1 7.879 . 26.2954831123 . . . . . . . . . . 1 18729 8 >> 51 2 38.202 . 96.2430238724 . . . . . . . . . . 1 18729 8 >> 51 3 121.269 . 37.5677421681 . . . . . . . . . . 1 18729 8 >> 52 1 7.882 . 27.3735821247 . . . . . . . . . . 1 18729 8 >> 52 2 57.333 . 87.7091288567 . . . . . . . . . . 1 18729 8 >> 52 3 121.261 . 37.0302025685 . . . . . . . . . . 1 18729 8 >> 53 1 9.001 . 24.3052840233 . . . . . . . . . . 1 18729 8 >> 53 2 54.676 . 102.1921634670 . . . . . . . . . . 1 18729 8 >> 53 3 125.144 . 35.2487261527 . . . . . . . . . . 1 18729 8 >> 54 1 9.002 . 26.5856832266 . . . . . . . . . . 1 18729 8 >> 54 2 34.020 . 116.9085502620 . . . . . . . . . . 1 18729 8 >> 54 3 125.104 . 37.9643449892 . . . . . . . . . . 1 18729 8 >> 55 1 9.000 . 24.3283808231 . . . . . . . . . . 1 18729 8 >> 55 2 37.043 . 113.3173704150 . . . . . . . . . . 1 18729 8 >> 55 3 125.130 . 38.2154421673 . . . . . . . . . . 1 18729 8 >> 56 1 9.625 . 27.0340591669 . . . . . . . . . . 1 18729 8 >> 56 2 53.452 . 82.8522443771 . . . . . . . . . . 1 18729 8 >> 56 3 125.178 . 36.9261339883 . . . . . . . . . . 1 18729 8 >> 57 1 8.704 . 23.3104825020 . . . . . . . . . . 1 18729 8 >> 57 2 53.922 . 107.6811552050 . . . . . . . . . . 1 18729 8 >> 57 3 115.762 . 33.8287611403 . . . . . . . . . . 1 18729 8 >> 58 1 8.703 . 25.8022546768 . . . . . . . . . . 1 18729 8 >> 58 2 43.343 . 90.0167226791 . . . . . . . . . . 1 18729 8 >> 58 3 115.799 . 38.1855541787 . . . . . . . . . . 1 18729 8 >> 59 1 8.702 . 26.3939797878 . . . . . . . . . . 1 18729 8 >> 59 2 34.348 . 92.4623012543 . . . . . . . . . . 1 18729 8 >> 59 3 115.835 . 38.2037027238 . . . . . . . . . . 1 18729 8 >> 60 1 8.427 . 28.4445285797 . . . . . . . . . . 1 18729 8 >> 60 2 54.749 . 83.8553905487 . . . . . . . . . . 1 18729 8 >> 60 3 114.607 . 37.0060256606 . . . . . . . . . . 1 18729 8 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 . 1 . . 8.268 . 1 1 1 3 CYS H . . . . . . 54 . 18729 8 >> 1 2 . 1 . . 56.284 . 1 1 1 2 GLU CA . . . . . . 153 . 18729 8 >> 1 3 . 1 . . 118.122 . 1 1 1 3 CYS N . . . . . . 55 . 18729 8 >> 2 1 . 1 . . 8.269 . 1 1 1 3 CYS H . . . . . . 54 . 18729 8 >> 2 2 . 1 . . 36.367 . 1 1 1 2 GLU CG . . . . . . 276 . 18729 8 >> 2 3 . 1 . . 118.136 . 1 1 1 3 CYS N . . . . . . 55 . 18729 8 >> 3 1 . 1 . . 8.817 . 1 1 1 4 VAL H . . . . . . 42 . 18729 8 >> 3 2 . 1 . . 54.121 . 1 1 1 3 CYS CA . . . . . . 111 . 18729 8 >> 3 3 . 1 . . 121.945 . 1 1 1 4 VAL N . . . . . . 43 . 18729 8 >> 4 1 . 1 . . 9.001 . 1 1 1 5 GLU H . . . . . . 5 . 18729 8 >> 4 2 . 2 . . 32.390 . 1 1 1 4 VAL CB . . . . . . 99 . 18729 8 >> 4 3 . 1 . . 129.874 . 1 1 1 5 GLU N . . . . . . 6 . 18729 8 >> 5 1 . 1 . . 9.004 . 1 1 1 5 GLU H . . . . . . 5 . 18729 8 >> 5 2 . 1 . . 22.217 . 1 1 1 4 VAL CG2 . . . . . . 277 . 18729 8 >> 5 2 . 2 . . 22.217 . 1 1 1 4 VAL CG1 . . . . . . 278 . 18729 8 >> 5 3 . 1 . . 129.838 . 1 1 1 5 GLU N . . . . . . 6 . 18729 8 >> 6 2 . 1 . . 64.103 . 1 1 1 4 VAL CA . . . . . . 98 . 18729 8 >> 7 1 . 1 . . 8.714 . 1 1 1 6 ASN H . . . . . . 63 . 18729 8 >> 7 2 . 1 . . 35.949 . 1 1 1 5 GLU CG . . . . . . 279 . 18729 8 >> 7 3 . 1 . . 119.306 . 1 1 1 6 ASN N . . . . . . 64 . 18729 8 >> 8 1 . 1 . . 8.714 . 1 1 1 6 ASN H . . . . . . 63 . 18729 8 >> 8 2 . 1 . . 56.148 . 1 1 1 5 GLU CA . . . . . . 96 . 18729 8 >> 8 3 . 1 . . 119.303 . 1 1 1 6 ASN N . . . . . . 64 . 18729 8 >> 9 1 . 1 . . 9.574 . 1 1 1 7 GLY H . . . . . . 50 . 18729 8 >> 9 2 . 1 . . 54.150 . 1 1 1 6 ASN CA . . . . . . 69 . 18729 8 >> 9 3 . 1 . . 113.162 . 1 1 1 7 GLY N . . . . . . 51 . 18729 8 >> 10 1 . 1 . . 8.334 . 1 1 1 8 GLY H . . . . . . 28 . 18729 8 >> 10 2 . 1 . . 44.770 . 1 1 1 7 GLY CA . . . . . . 95 . 18729 8 >> 10 3 . 1 . . 108.246 . 1 1 1 8 GLY N . . . . . . 29 . 18729 8 >> 11 1 . 1 . . 8.440 . 1 1 1 9 PHE H . . . . . . 36 . 18729 8 >> 11 2 . 1 . . 44.654 . 1 1 1 8 GLY CA . . . . . . 110 . 18729 8 >> 11 3 . 1 . . 120.638 . 1 1 1 9 PHE N . . . . . . 37 . 18729 8 >> 12 1 . 1 . . 6.945 . 1 1 1 10 CYS H . . . . . . 9 . 18729 8 >> 12 2 . 1 . . 58.502 . 1 1 1 9 PHE CA . . . . . . 106 . 18729 8 >> 12 3 . 1 . . 122.603 . 1 1 1 10 CYS N . . . . . . 10 . 18729 8 >> 13 1 . 1 . . 6.945 . 1 1 1 10 CYS H . . . . . . 9 . 18729 8 >> 13 2 . 1 . . 39.769 . 1 1 1 9 PHE CB . . . . . . 107 . 18729 8 >> 13 3 . 1 . . 122.585 . 1 1 1 10 CYS N . . . . . . 10 . 18729 8 >> 14 1 . 1 . . 8.128 . 1 1 1 12 ASP H . . . . . . 14 . 18729 8 >> 14 2 . 1 . . 49.619 . 1 1 1 11 PRO CD . . . . . . 280 . 18729 8 >> 14 3 . 1 . . 117.154 . 1 1 1 12 ASP N . . . . . . 15 . 18729 8 >> 15 1 . 1 . . 8.129 . 1 1 1 12 ASP H . . . . . . 14 . 18729 8 >> 15 2 . 1 . . 32.673 . 1 1 1 11 PRO CB . . . . . . 121 . 18729 8 >> 15 3 . 1 . . 117.092 . 1 1 1 12 ASP N . . . . . . 15 . 18729 8 >> 16 1 . 1 . . 8.125 . 1 1 1 12 ASP H . . . . . . 14 . 18729 8 >> 16 2 . 1 . . 60.817 . 1 1 1 11 PRO CA . . . . . . 120 . 18729 8 >> 16 3 . 1 . . 117.120 . 1 1 1 12 ASP N . . . . . . 15 . 18729 8 >> 17 1 . 1 . . 8.126 . 1 1 1 12 ASP H . . . . . . 14 . 18729 8 >> 17 2 . 1 . . 25.908 . 1 1 1 11 PRO CG . . . . . . 283 . 18729 8 >> 17 3 . 1 . . 117.206 . 1 1 1 12 ASP N . . . . . . 15 . 18729 8 >> 18 1 . 1 . . 8.747 . 1 1 1 14 GLU H . . . . . . 48 . 18729 8 >> 18 2 . 1 . . 32.022 . 1 1 1 13 PRO CB . . . . . . 117 . 18729 8 >> 18 3 . 1 . . 119.931 . 1 1 1 14 GLU N . . . . . . 49 . 18729 8 >> 19 1 . 1 . . 8.742 . 1 1 1 14 GLU H . . . . . . 48 . 18729 8 >> 19 2 . 1 . . 27.853 . 1 1 1 13 PRO CG . . . . . . 286 . 18729 8 >> 19 3 . 1 . . 119.947 . 1 1 1 14 GLU N . . . . . . 49 . 18729 8 >> 20 1 . 1 . . 8.748 . 1 1 1 14 GLU H . . . . . . 48 . 18729 8 >> 20 2 . 1 . . 51.640 . 1 1 1 13 PRO CD . . . . . . 287 . 18729 8 >> 20 3 . 1 . . 119.912 . 1 1 1 14 GLU N . . . . . . 49 . 18729 8 >> 21 1 . 1 . . 8.748 . 1 1 1 14 GLU H . . . . . . 48 . 18729 8 >> 21 2 . 1 . . 63.688 . 1 1 1 13 PRO CA . . . . . . 116 . 18729 8 >> 21 3 . 1 . . 119.900 . 1 1 1 14 GLU N . . . . . . 49 . 18729 8 >> 22 1 . 1 . . 7.464 . 1 1 1 15 LYS H . . . . . . 18 . 18729 8 >> 22 2 . 1 . . 36.695 . 1 1 1 14 GLU CG . . . . . . 288 . 18729 8 >> 22 3 . 1 . . 116.349 . 1 1 1 15 LYS N . . . . . . 19 . 18729 8 >> 23 1 . 1 . . 7.464 . 1 1 1 15 LYS H . . . . . . 18 . 18729 8 >> 23 2 . 1 . . 58.678 . 1 1 1 14 GLU CA . . . . . . 115 . 18729 8 >> 23 3 . 1 . . 116.350 . 1 1 1 15 LYS N . . . . . . 19 . 18729 8 >> 24 1 . 1 . . 7.936 . 1 1 1 16 MET H . . . . . . 38 . 18729 8 >> 24 2 . 1 . . 57.193 . 1 1 1 15 LYS CA . . . . . . 113 . 18729 8 >> 24 3 . 1 . . 114.917 . 1 1 1 16 MET N . . . . . . 39 . 18729 8 >> 25 1 . 1 . . 7.936 . 1 1 1 16 MET H . . . . . . 38 . 18729 8 >> 25 2 . 1 . . 42.172 . 1 1 1 15 LYS CE . . . . . . 289 . 18729 8 >> 25 3 . 1 . . 114.944 . 1 1 1 16 MET N . . . . . . 39 . 18729 8 >> 26 1 . 1 . . 7.929 . 1 1 1 16 MET H . . . . . . 38 . 18729 8 >> 26 2 . 1 . . 34.294 . 1 1 1 15 LYS CB . . . . . . 140 . 18729 8 >> 26 3 . 1 . . 114.911 . 1 1 1 16 MET N . . . . . . 39 . 18729 8 >> 27 1 . 1 . . 7.938 . 1 1 1 16 MET H . . . . . . 38 . 18729 8 >> 27 2 . 1 . . 29.029 . 1 1 1 15 LYS CD . . . . . . 290 . 18729 8 >> 27 3 . 1 . . 114.902 . 1 1 1 16 MET N . . . . . . 39 . 18729 8 >> 28 1 . 1 . . 7.938 . 1 1 1 16 MET H . . . . . . 38 . 18729 8 >> 28 2 . 1 . . 25.453 . 1 1 1 15 LYS CG . . . . . . 291 . 18729 8 >> 28 3 . 1 . . 114.890 . 1 1 1 16 MET N . . . . . . 39 . 18729 8 >> 29 1 . 1 . . 7.669 . 1 1 1 17 GLY H . . . . . . 20 . 18729 8 >> 29 2 . 1 . . 33.982 . 1 1 1 16 MET CB . . . . . . 82 . 18729 8 >> 29 3 . 1 . . 109.289 . 1 1 1 17 GLY N . . . . . . 21 . 18729 8 >> 30 1 . 1 . . 7.671 . 1 1 1 17 GLY H . . . . . . 20 . 18729 8 >> 30 2 . 1 . . 32.901 . 1 1 1 16 MET CG . . . . . . 292 . 18729 8 >> 30 3 . 1 . . 109.290 . 1 1 1 17 GLY N . . . . . . 21 . 18729 8 >> 31 1 . 1 . . 7.669 . 1 1 1 17 GLY H . . . . . . 20 . 18729 8 >> 31 2 . 1 . . 55.003 . 1 1 1 16 MET CA . . . . . . 83 . 18729 8 >> 31 3 . 1 . . 109.298 . 1 1 1 17 GLY N . . . . . . 21 . 18729 8 >> 32 1 . 1 . . 8.616 . 1 1 1 18 ASP H . . . . . . 56 . 18729 8 >> 32 2 . 1 . . 44.453 . 1 1 1 17 GLY CA . . . . . . 81 . 18729 8 >> 32 3 . 1 . . 119.899 . 1 1 1 18 ASP N . . . . . . 57 . 18729 8 >> 33 1 . 1 . . 8.230 . 1 1 1 19 TRP H . . . . . . 46 . 18729 8 >> 33 2 . 1 . . 53.630 . 1 1 1 18 ASP CA . . . . . . 80 . 18729 8 >> 33 3 . 1 . . 126.931 . 1 1 1 19 TRP N . . . . . . 47 . 18729 8 >> 34 1 . 1 . . 9.454 . 1 1 1 20 CYS H . . . . . . 30 . 18729 8 >> 34 2 . 1 . . 55.512 . 1 1 1 19 TRP CA . . . . . . 77 . 18729 8 >> 34 3 . 1 . . 120.748 . 1 1 1 20 CYS N . . . . . . 31 . 18729 8 >> 35 1 . 1 . . 9.454 . 1 1 1 20 CYS H . . . . . . 30 . 18729 8 >> 35 2 . 1 . . 30.255 . 1 1 1 19 TRP CB . . . . . . 78 . 18729 8 >> 35 3 . 1 . . 120.744 . 1 1 1 20 CYS N . . . . . . 31 . 18729 8 >> 36 1 . 1 . . 9.269 . 1 1 1 21 CYS H . . . . . . 3 . 18729 8 >> 36 2 . 1 . . 55.298 . 1 1 1 20 CYS CA . . . . . . 75 . 18729 8 >> 36 3 . 1 . . 122.659 . 1 1 1 21 CYS N . . . . . . 4 . 18729 8 >> 37 1 . 1 . . 8.888 . 1 1 1 22 GLY H . . . . . . 16 . 18729 8 >> 37 2 . 1 . . 57.028 . 1 1 1 21 CYS CA . . . . . . 74 . 18729 8 >> 37 3 . 1 . . 109.415 . 1 1 1 22 GLY N . . . . . . 17 . 18729 8 >> 38 1 . 1 . . 8.890 . 1 1 1 22 GLY H . . . . . . 16 . 18729 8 >> 38 2 . 1 . . 38.952 . 1 1 1 21 CYS CB . . . . . . 73 . 18729 8 >> 38 3 . 1 . . 109.410 . 1 1 1 22 GLY N . . . . . . 17 . 18729 8 >> 39 1 . 1 . . 9.157 . 1 1 1 23 ARG H . . . . . . 52 . 18729 8 >> 39 2 . 1 . . 44.771 . 1 1 1 22 GLY CA . . . . . . 72 . 18729 8 >> 39 3 . 1 . . 125.393 . 1 1 1 23 ARG N . . . . . . 53 . 18729 8 >> 40 1 . 1 . . 10.612 . 1 1 1 24 CYS H . . . . . . 40 . 18729 8 >> 40 2 . 1 . . 54.236 . 1 1 1 23 ARG CA . . . . . . 102 . 18729 8 >> 40 3 . 1 . . 127.217 . 1 1 1 24 CYS N . . . . . . 41 . 18729 8 >> 41 1 . 1 . . 10.624 . 1 1 1 24 CYS H . . . . . . 40 . 18729 8 >> 41 2 . 1 . . 34.686 . 1 1 1 23 ARG CB . . . . . . 101 . 18729 8 >> 41 3 . 1 . . 127.205 . 1 1 1 24 CYS N . . . . . . 41 . 18729 8 >> 42 1 . 1 . . 8.774 . 1 1 1 25 ILE H . . . . . . 12 . 18729 8 >> 42 2 . 1 . . 56.736 . 1 1 1 24 CYS CA . . . . . . 100 . 18729 8 >> 42 3 . 1 . . 132.538 . 1 1 1 25 ILE N . . . . . . 13 . 18729 8 >> 43 1 . 1 . . 9.283 . 1 1 1 26 ARG H . . . . . . 26 . 18729 8 >> 43 2 . 1 . . 39.577 . 1 1 1 25 ILE CB . . . . . . 104 . 18729 8 >> 43 3 . 1 . . 128.927 . 1 1 1 26 ARG N . . . . . . 27 . 18729 8 >> 44 1 . 1 . . 9.286 . 1 1 1 26 ARG H . . . . . . 26 . 18729 8 >> 44 2 . 1 . . 60.212 . 1 1 1 25 ILE CA . . . . . . 105 . 18729 8 >> 44 3 . 1 . . 128.775 . 1 1 1 26 ARG N . . . . . . 27 . 18729 8 >> 45 1 . 1 . . 9.284 . 1 1 1 26 ARG H . . . . . . 26 . 18729 8 >> 45 2 . 1 . . 12.290 . 1 1 1 25 ILE CD1 . . . . . . 293 . 18729 8 >> 45 3 . 1 . . 128.890 . 1 1 1 26 ARG N . . . . . . 27 . 18729 8 >> 46 1 . 1 . . 9.284 . 1 1 1 26 ARG H . . . . . . 26 . 18729 8 >> 46 2 . 1 . . 17.267 . 1 1 1 25 ILE CG2 . . . . . . 294 . 18729 8 >> 46 3 . 1 . . 128.928 . 1 1 1 26 ARG N . . . . . . 27 . 18729 8 >> 47 1 . 1 . . 8.375 . 1 1 1 27 ASN H . . . . . . 1 . 18729 8 >> 47 2 . 1 . . 27.671 . 1 1 1 26 ARG CB . . . . . . 94 . 18729 8 >> 47 3 . 1 . . 106.125 . 1 1 1 27 ASN N . . . . . . 2 . 18729 8 >> 48 1 . 1 . . 8.379 . 1 1 1 27 ASN H . . . . . . 1 . 18729 8 >> 48 2 . 1 . . 43.434 . 1 1 1 26 ARG CD . . . . . . 295 . 18729 8 >> 48 3 . 1 . . 106.097 . 1 1 1 27 ASN N . . . . . . 2 . 18729 8 >> 49 1 . 1 . . 8.379 . 1 1 1 27 ASN H . . . . . . 1 . 18729 8 >> 49 2 . 1 . . 57.530 . 1 1 1 26 ARG CA . . . . . . 93 . 18729 8 >> 49 3 . 1 . . 106.117 . 1 1 1 27 ASN N . . . . . . 2 . 18729 8 >> 50 1 . 1 . . 10.619 . 1 1 1 24 CYS H . . . . . . 40 . 18729 8 >> 50 2 . 1 . . 43.690 . 1 1 1 23 ARG CD . . . . . . 297 . 18729 8 >> 50 3 . 1 . . 127.223 . 1 1 1 24 CYS N . . . . . . 41 . 18729 8 >> 51 1 . 1 . . 7.879 . 1 1 1 28 GLU H . . . . . . 22 . 18729 8 >> 51 2 . 1 . . 38.202 . 1 1 1 27 ASN CB . . . . . . 92 . 18729 8 >> 51 3 . 1 . . 121.269 . 1 1 1 28 GLU N . . . . . . 23 . 18729 8 >> 52 1 . 1 . . 7.882 . 1 1 1 28 GLU H . . . . . . 22 . 18729 8 >> 52 2 . 1 . . 57.333 . 1 1 1 27 ASN CA . . . . . . 91 . 18729 8 >> 52 3 . 1 . . 121.261 . 1 1 1 28 GLU N . . . . . . 23 . 18729 8 >> 53 1 . 1 . . 9.001 . 1 1 1 29 CYS H . . . . . . 61 . 18729 8 >> 53 2 . 2 . . 54.676 . 1 1 1 28 GLU CA . . . . . . 89 . 18729 8 >> 53 3 . 1 . . 125.144 . 1 1 1 29 CYS N . . . . . . 62 . 18729 8 >> 54 1 . 1 . . 9.002 . 1 1 1 29 CYS H . . . . . . 61 . 18729 8 >> 54 2 . 1 . . 34.020 . 1 1 1 28 GLU CB . . . . . . 90 . 18729 8 >> 54 3 . 1 . . 125.104 . 1 1 1 29 CYS N . . . . . . 62 . 18729 8 >> 55 1 . 1 . . 9.000 . 1 1 1 29 CYS H . . . . . . 61 . 18729 8 >> 55 2 . 1 . . 37.043 . 1 1 1 28 GLU CG . . . . . . 298 . 18729 8 >> 55 3 . 1 . . 125.130 . 1 1 1 29 CYS N . . . . . . 62 . 18729 8 >> 56 1 . 1 . . 9.625 . 1 1 1 30 ARG H . . . . . . 59 . 18729 8 >> 56 2 . 1 . . 53.452 . 1 1 1 29 CYS CA . . . . . . 88 . 18729 8 >> 56 3 . 1 . . 125.178 . 1 1 1 30 ARG N . . . . . . 60 . 18729 8 >> 57 1 . 1 . . 8.704 . 1 1 1 31 ASN H . . . . . . 24 . 18729 8 >> 57 2 . 1 . . 53.922 . 1 1 1 30 ARG CA . . . . . . 86 . 18729 8 >> 57 3 . 1 . . 115.762 . 1 1 1 31 ASN N . . . . . . 25 . 18729 8 >> 58 1 . 1 . . 8.703 . 1 1 1 31 ASN H . . . . . . 24 . 18729 8 >> 58 2 . 1 . . 43.343 . 1 1 1 30 ARG CD . . . . . . 299 . 18729 8 >> 58 3 . 1 . . 115.799 . 1 1 1 31 ASN N . . . . . . 25 . 18729 8 >> 59 1 . 1 . . 8.702 . 1 1 1 31 ASN H . . . . . . 24 . 18729 8 >> 59 2 . 1 . . 34.348 . 1 1 1 30 ARG CB . . . . . . 85 . 18729 8 >> 59 3 . 1 . . 115.835 . 1 1 1 31 ASN N . . . . . . 25 . 18729 8 >> 60 1 . 1 . . 8.427 . 1 1 1 32 GLY H . . . . . . 44 . 18729 8 >> 60 2 . 1 . . 54.749 . 1 1 1 31 ASN CA . . . . . . 68 . 18729 8 >> 60 3 . 1 . . 114.607 . 1 1 1 32 GLY N . . . . . . 45 . 18729 8 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5_6_7_8_9 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '2D 1H-1H TOCSY' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 H 1H stop_ _Sample_label $13C_15N _Sample_conditions_label $Standard _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4_5_6_7_8_9 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9 >> _Spectral_peak_list.Entry_ID 18729 >> _Spectral_peak_list.ID 9 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $13C_15N >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Standard >> _Spectral_peak_list.Experiment_ID 9 >> _Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY' >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . 10000.00000000 . . . 18729 9 >> 2 H 1 1H . 8333.33333333 . . . 18729 9 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18729 9 >> 2 1.0 . 18729 9 >> 3 1.0 . 18729 9 >> 4 1.0 . 18729 9 >> 5 1.0 . 18729 9 >> 6 1.0 . 18729 9 >> 7 1.0 . 18729 9 >> 8 1.0 . 18729 9 >> 9 1.0 . 18729 9 >> 10 1.0 . 18729 9 >> 11 1.0 . 18729 9 >> 12 1.0 . 18729 9 >> 13 1.0 . 18729 9 >> 14 1.0 . 18729 9 >> 15 1.0 . 18729 9 >> 16 1.0 . 18729 9 >> 17 1.0 . 18729 9 >> 18 1.0 . 18729 9 >> 19 1.0 . 18729 9 >> 20 1.0 . 18729 9 >> 21 1.0 . 18729 9 >> 22 1.0 . 18729 9 >> 23 1.0 . 18729 9 >> 24 1.0 . 18729 9 >> 25 1.0 . 18729 9 >> 26 1.0 . 18729 9 >> 27 1.0 . 18729 9 >> 28 1.0 . 18729 9 >> 29 1.0 . 18729 9 >> 30 1.0 . 18729 9 >> 31 1.0 . 18729 9 >> 32 1.0 . 18729 9 >> 33 1.0 . 18729 9 >> 34 1.0 . 18729 9 >> 35 1.0 . 18729 9 >> 36 1.0 . 18729 9 >> 37 1.0 . 18729 9 >> 38 1.0 . 18729 9 >> 39 1.0 . 18729 9 >> 40 1.0 . 18729 9 >> 41 1.0 . 18729 9 >> 42 1.0 . 18729 9 >> 43 1.0 . 18729 9 >> 44 1.0 . 18729 9 >> 45 1.0 . 18729 9 >> 46 1.0 . 18729 9 >> 47 1.0 . 18729 9 >> 48 1.0 . 18729 9 >> 49 1.0 . 18729 9 >> 50 1.0 . 18729 9 >> 51 1.0 . 18729 9 >> 52 1.0 . 18729 9 >> 53 1.0 . 18729 9 >> 54 1.0 . 18729 9 >> 55 1.0 . 18729 9 >> 56 1.0 . 18729 9 >> 57 1.0 . 18729 9 >> 58 1.0 . 18729 9 >> 59 1.0 . 18729 9 >> 60 1.0 . 18729 9 >> 61 1.0 . 18729 9 >> 62 1.0 . 18729 9 >> 63 1.0 . 18729 9 >> 64 1.0 . 18729 9 >> 65 1.0 . 18729 9 >> 66 1.0 . 18729 9 >> 67 1.0 . 18729 9 >> 68 1.0 . 18729 9 >> 69 1.0 . 18729 9 >> 70 1.0 . 18729 9 >> 71 1.0 . 18729 9 >> 72 1.0 . 18729 9 >> 73 1.0 . 18729 9 >> 74 1.0 . 18729 9 >> 75 1.0 . 18729 9 >> 76 1.0 . 18729 9 >> 77 1.0 . 18729 9 >> 78 1.0 . 18729 9 >> 79 1.0 . 18729 9 >> 80 1.0 . 18729 9 >> 81 1.0 . 18729 9 >> 82 1.0 . 18729 9 >> 83 1.0 . 18729 9 >> 84 1.0 . 18729 9 >> 85 1.0 . 18729 9 >> 86 1.0 . 18729 9 >> 87 1.0 . 18729 9 >> 88 1.0 . 18729 9 >> 89 1.0 . 18729 9 >> 90 1.0 . 18729 9 >> 91 1.0 . 18729 9 >> 92 1.0 . 18729 9 >> 93 1.0 . 18729 9 >> 94 1.0 . 18729 9 >> 95 1.0 . 18729 9 >> 96 1.0 . 18729 9 >> 97 1.0 . 18729 9 >> 98 1.0 . 18729 9 >> 99 1.0 . 18729 9 >> 100 1.0 . 18729 9 >> 101 1.0 . 18729 9 >> 102 1.0 . 18729 9 >> 103 1.0 . 18729 9 >> 104 1.0 . 18729 9 >> 105 1.0 . 18729 9 >> 106 1.0 . 18729 9 >> 107 1.0 . 18729 9 >> 108 1.0 . 18729 9 >> 109 1.0 . 18729 9 >> 110 1.0 . 18729 9 >> 111 1.0 . 18729 9 >> 112 1.0 . 18729 9 >> 113 1.0 . 18729 9 >> 114 1.0 . 18729 9 >> 115 1.0 . 18729 9 >> 116 1.0 . 18729 9 >> 117 1.0 . 18729 9 >> 118 1.0 . 18729 9 >> 119 1.0 . 18729 9 >> 120 1.0 . 18729 9 >> 121 1.0 . 18729 9 >> 122 1.0 . 18729 9 >> 123 1.0 . 18729 9 >> 124 1.0 . 18729 9 >> 125 1.0 . 18729 9 >> 126 1.0 . 18729 9 >> 127 1.0 . 18729 9 >> 128 1.0 . 18729 9 >> 129 1.0 . 18729 9 >> 130 1.0 . 18729 9 >> 131 1.0 . 18729 9 >> 132 1.0 . 18729 9 >> 133 1.0 . 18729 9 >> 134 1.0 . 18729 9 >> 135 1.0 . 18729 9 >> 136 1.0 . 18729 9 >> 137 1.0 . 18729 9 >> 138 1.0 . 18729 9 >> 139 1.0 . 18729 9 >> 140 1.0 . 18729 9 >> 141 1.0 . 18729 9 >> 142 1.0 . 18729 9 >> 143 1.0 . 18729 9 >> 144 1.0 . 18729 9 >> 145 1.0 . 18729 9 >> 146 1.0 . 18729 9 >> 147 1.0 . 18729 9 >> 148 1.0 . 18729 9 >> 149 1.0 . 18729 9 >> 150 1.0 . 18729 9 >> 151 1.0 . 18729 9 >> 152 1.0 . 18729 9 >> 153 1.0 . 18729 9 >> 154 1.0 . 18729 9 >> 155 1.0 . 18729 9 >> 156 1.0 . 18729 9 >> 157 1.0 . 18729 9 >> 158 1.0 . 18729 9 >> 159 1.0 . 18729 9 >> 160 1.0 . 18729 9 >> 161 1.0 . 18729 9 >> 162 1.0 . 18729 9 >> 163 1.0 . 18729 9 >> 164 1.0 . 18729 9 >> 165 1.0 . 18729 9 >> 166 1.0 . 18729 9 >> 167 1.0 . 18729 9 >> 168 1.0 . 18729 9 >> 169 1.0 . 18729 9 >> 170 1.0 . 18729 9 >> 171 1.0 . 18729 9 >> 172 1.0 . 18729 9 >> 173 1.0 . 18729 9 >> 174 1.0 . 18729 9 >> 175 1.0 . 18729 9 >> 176 1.0 . 18729 9 >> 177 1.0 . 18729 9 >> 178 1.0 . 18729 9 >> 179 1.0 . 18729 9 >> 180 1.0 . 18729 9 >> 181 1.0 . 18729 9 >> 182 1.0 . 18729 9 >> 183 1.0 . 18729 9 >> 184 1.0 . 18729 9 >> 185 1.0 . 18729 9 >> 186 1.0 . 18729 9 >> 187 1.0 . 18729 9 >> 188 1.0 . 18729 9 >> 189 1.0 . 18729 9 >> 190 1.0 . 18729 9 >> 191 1.0 . 18729 9 >> 192 1.0 . 18729 9 >> 193 1.0 . 18729 9 >> 194 1.0 . 18729 9 >> 195 1.0 . 18729 9 >> 196 1.0 . 18729 9 >> 197 1.0 . 18729 9 >> 198 1.0 . 18729 9 >> 199 1.0 . 18729 9 >> 200 1.0 . 18729 9 >> 201 1.0 . 18729 9 >> 202 1.0 . 18729 9 >> 203 1.0 . 18729 9 >> 204 1.0 . 18729 9 >> 205 1.0 . 18729 9 >> 206 1.0 . 18729 9 >> 207 1.0 . 18729 9 >> 208 1.0 . 18729 9 >> 209 1.0 . 18729 9 >> 210 1.0 . 18729 9 >> 211 1.0 . 18729 9 >> 212 1.0 . 18729 9 >> 213 1.0 . 18729 9 >> 214 1.0 . 18729 9 >> 215 1.0 . 18729 9 >> 216 1.0 . 18729 9 >> 217 1.0 . 18729 9 >> 218 1.0 . 18729 9 >> 219 1.0 . 18729 9 >> 220 1.0 . 18729 9 >> 221 1.0 . 18729 9 >> 222 1.0 . 18729 9 >> 223 1.0 . 18729 9 >> 224 1.0 . 18729 9 >> 225 1.0 . 18729 9 >> 226 1.0 . 18729 9 >> 227 1.0 . 18729 9 >> 228 1.0 . 18729 9 >> 229 1.0 . 18729 9 >> 230 1.0 . 18729 9 >> 231 1.0 . 18729 9 >> 232 1.0 . 18729 9 >> 233 1.0 . 18729 9 >> 234 1.0 . 18729 9 >> 235 1.0 . 18729 9 >> 236 1.0 . 18729 9 >> 237 1.0 . 18729 9 >> 238 1.0 . 18729 9 >> 239 1.0 . 18729 9 >> 240 1.0 . 18729 9 >> 241 1.0 . 18729 9 >> 242 1.0 . 18729 9 >> 243 1.0 . 18729 9 >> 244 1.0 . 18729 9 >> 245 1.0 . 18729 9 >> 246 1.0 . 18729 9 >> 247 1.0 . 18729 9 >> 248 1.0 . 18729 9 >> 249 1.0 . 18729 9 >> 250 1.0 . 18729 9 >> 251 1.0 . 18729 9 >> 252 1.0 . 18729 9 >> 253 1.0 . 18729 9 >> 254 1.0 . 18729 9 >> 255 1.0 . 18729 9 >> 256 1.0 . 18729 9 >> 257 1.0 . 18729 9 >> 258 1.0 . 18729 9 >> 259 1.0 . 18729 9 >> 260 1.0 . 18729 9 >> 261 1.0 . 18729 9 >> 262 1.0 . 18729 9 >> 263 1.0 . 18729 9 >> 264 1.0 . 18729 9 >> 265 1.0 . 18729 9 >> 266 1.0 . 18729 9 >> 267 1.0 . 18729 9 >> 268 1.0 . 18729 9 >> 269 1.0 . 18729 9 >> 270 1.0 . 18729 9 >> 271 1.0 . 18729 9 >> 272 1.0 . 18729 9 >> 273 1.0 . 18729 9 >> 274 1.0 . 18729 9 >> 275 1.0 . 18729 9 >> 276 1.0 . 18729 9 >> 277 1.0 . 18729 9 >> 278 1.0 . 18729 9 >> 279 1.0 . 18729 9 >> 280 1.0 . 18729 9 >> 281 1.0 . 18729 9 >> 282 1.0 . 18729 9 >> 283 1.0 . 18729 9 >> 284 1.0 . 18729 9 >> 285 1.0 . 18729 9 >> 286 1.0 . 18729 9 >> 287 1.0 . 18729 9 >> 288 1.0 . 18729 9 >> 289 1.0 . 18729 9 >> 290 1.0 . 18729 9 >> 291 1.0 . 18729 9 >> 292 1.0 . 18729 9 >> 293 1.0 . 18729 9 >> 294 1.0 . 18729 9 >> 295 1.0 . 18729 9 >> 296 1.0 . 18729 9 >> 297 1.0 . 18729 9 >> 298 1.0 . 18729 9 >> 299 1.0 . 18729 9 >> 300 1.0 . 18729 9 >> 301 1.0 . 18729 9 >> 302 1.0 . 18729 9 >> 303 1.0 . 18729 9 >> 304 1.0 . 18729 9 >> 305 1.0 . 18729 9 >> 306 1.0 . 18729 9 >> 307 1.0 . 18729 9 >> 308 1.0 . 18729 9 >> 309 1.0 . 18729 9 >> 310 1.0 . 18729 9 >> 311 1.0 . 18729 9 >> 312 1.0 . 18729 9 >> 313 1.0 . 18729 9 >> 314 1.0 . 18729 9 >> 315 1.0 . 18729 9 >> 316 1.0 . 18729 9 >> 317 1.0 . 18729 9 >> 318 1.0 . 18729 9 >> 319 1.0 . 18729 9 >> 320 1.0 . 18729 9 >> 321 1.0 . 18729 9 >> 322 1.0 . 18729 9 >> 323 1.0 . 18729 9 >> 324 1.0 . 18729 9 >> 325 1.0 . 18729 9 >> 326 1.0 . 18729 9 >> 327 1.0 . 18729 9 >> 328 1.0 . 18729 9 >> 329 1.0 . 18729 9 >> 330 1.0 . 18729 9 >> 331 1.0 . 18729 9 >> 332 1.0 . 18729 9 >> 333 1.0 . 18729 9 >> 334 1.0 . 18729 9 >> 335 1.0 . 18729 9 >> 336 1.0 . 18729 9 >> 337 1.0 . 18729 9 >> 338 1.0 . 18729 9 >> 339 1.0 . 18729 9 >> 340 1.0 . 18729 9 >> 341 1.0 . 18729 9 >> 342 1.0 . 18729 9 >> 343 1.0 . 18729 9 >> 344 1.0 . 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18729 9 >> 341 9125660.0 . volume 18729 9 >> 342 1460224.0 . height 18729 9 >> 342 12979176.0 . volume 18729 9 >> 343 170528.0 . height 18729 9 >> 343 1599216.0 . volume 18729 9 >> 344 543500.0 . height 18729 9 >> 344 4838056.0 . volume 18729 9 >> 345 1573860.0 . height 18729 9 >> 345 13755912.0 . volume 18729 9 >> 346 197052.0 . height 18729 9 >> 346 1450904.0 . volume 18729 9 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 9.565 . 19.88783478740 . . . . . . . . . . 1 18729 9 >> 1 2 9.567 . 16.18079841140 . . . . . . . . . . 1 18729 9 >> 2 1 9.619 . 19.52409744260 . . . . . . . . . . 1 18729 9 >> 2 2 9.620 . 13.88217012090 . . . . . . . . . . 1 18729 9 >> 3 1 10.613 . 22.65617251400 . . . . . . . . . . 1 18729 9 >> 3 2 10.614 . 16.05202754340 . . . . . . . . . . 1 18729 9 >> 4 1 9.613 . 22.22612500190 . . . . . . . . . . 1 18729 9 >> 4 2 2.082 . 20.64357201260 . . . . . . . . . . 1 18729 9 >> 5 1 9.613 . 22.36828207970 . . . . . . . . . . 1 18729 9 >> 5 2 1.777 . 24.10262823100 . . . . . . . . . . 1 18729 9 >> 6 1 9.811 . 17.83087849620 . . . . . . . . . . 1 18729 9 >> 6 2 9.818 . 7.77145226797 . . . . . . . . . . 1 18729 9 >> 7 1 6.850 . 16.95990562440 . . . . . . . . . . 1 18729 9 >> 7 2 7.994 . 17.45869716010 . . . . . . . . . . 1 18729 9 >> 8 1 7.990 . 15.76125621800 . . . . . . . . . . 1 18729 9 >> 8 2 6.854 . 16.78367455800 . . . . . . . . . . 1 18729 9 >> 9 1 6.885 . 18.31054687500 . . . . . . . . . . 1 18729 9 >> 9 2 6.890 . 18.58547329900 . . . . . . . . . . 1 18729 9 >> 10 1 1.771 . 18.62585544590 . . . . . . . . . . 1 18729 9 >> 10 2 9.622 . 20.64071595670 . . . . . . . . . . 1 18729 9 >> 11 1 9.150 . 20.94522118570 . . . . . . . . . . 1 18729 9 >> 11 2 9.152 . 12.29333380860 . . . . . . . . . . 1 18729 9 >> 12 1 9.001 . 19.10462975500 . . . . . . . . . . 1 18729 9 >> 12 2 8.998 . 8.46472879251 . . . . . . . . . . 1 18729 9 >> 18 1 9.168 . 28.26407551770 . . . . . . . . . . 1 18729 9 >> 18 2 1.557 . 30.04223108290 . . . . . . . . . . 1 18729 9 >> 19 1 8.696 . 15.84172248840 . . . . . . . . . . 1 18729 9 >> 19 2 2.853 . 19.43657795590 . . . . . . . . . . 1 18729 9 >> 20 1 8.986 . 16.94679260250 . . . . . . . . . . 1 18729 9 >> 20 2 4.113 . 19.87169186270 . . . . . . . . . . 1 18729 9 >> 21 1 8.805 . 18.99152994160 . . . . . . . . . . 1 18729 9 >> 21 2 3.988 . 23.26617638270 . . . . . . . . . . 1 18729 9 >> 22 1 7.871 . 20.12640237810 . . . . . . . . . . 1 18729 9 >> 22 2 5.052 . 21.44997318590 . . . . . . . . . . 1 18729 9 >> 23 1 7.615 . 18.48697662350 . . . . . . . . . . 1 18729 9 >> 23 2 7.033 . 16.13770922030 . . . . . . . . . . 1 18729 9 >> 24 1 7.018 . 17.31038093570 . . . . . . . . . . 1 18729 9 >> 24 2 7.642 . 33.27702482540 . . . . . . . . . . 1 18729 9 >> 25 1 7.029 . 18.14067363740 . . . . . . . . . . 1 18729 9 >> 25 2 7.613 . 26.88616514210 . . . . . . . . . . 1 18729 9 >> 26 1 7.635 . 29.13177013400 . . . . . . . . . . 1 18729 9 >> 26 2 7.023 . 12.96922564510 . . . . . . . . . . 1 18729 9 >> 27 1 6.935 . 18.32425594330 . . . . . . . . . . 1 18729 9 >> 27 2 4.510 . 19.07547314960 . . . . . . . . . . 1 18729 9 >> 28 1 7.452 . 17.82119274140 . . . . . . . . . . 1 18729 9 >> 28 2 4.422 . 21.57787481940 . . . . . . . . . . 1 18729 9 >> 29 1 7.657 . 20.24978399280 . . . . . . . . . . 1 18729 9 >> 29 2 4.406 . 30.04620472590 . . . . . . . . . . 1 18729 9 >> 30 1 8.326 . 29.93911504750 . . . . . . . . . . 1 18729 9 >> 30 2 4.278 . 24.16223287580 . . . . . . . . . . 1 18729 9 >> 31 1 8.365 . 17.94755458830 . . . . . . . . . . 1 18729 9 >> 31 2 4.340 . 21.79990212120 . . . . . . . . . . 1 18729 9 >> 32 1 8.322 . 16.75695180890 . . . . . . . . . . 1 18729 9 >> 32 2 3.567 . 31.61877393720 . . . . . . . . . . 1 18729 9 >> 33 1 8.412 . 19.02788877490 . . . . . . . . . . 1 18729 9 >> 33 2 3.774 . 15.89755217230 . . . . . . . . . . 1 18729 9 >> 34 1 8.411 . 23.91010522840 . . . . . . . . . . 1 18729 9 >> 34 2 3.545 . 15.88414112730 . . . . . . . . . . 1 18729 9 >> 35 1 8.692 . 24.65635538100 . . . . . . . . . . 1 18729 9 >> 35 2 4.567 . 17.30471849440 . . . . . . . . . . 1 18729 9 >> 36 1 8.770 . 18.45806837080 . . . . . . . . . . 1 18729 9 >> 36 2 4.295 . 27.69778172180 . . . . . . . . . . 1 18729 9 >> 37 1 9.562 . 24.87242221830 . . . . . . . . . . 1 18729 9 >> 37 2 4.500 . 20.22584279380 . . . . . . . . . . 1 18729 9 >> 38 1 9.254 . 12.91275024410 . . . . . . . . . . 1 18729 9 >> 38 2 4.563 . 17.97378063200 . . . . . . . . . . 1 18729 9 >> 39 1 9.609 . 16.55980944630 . . . . . . . . . . 1 18729 9 >> 39 2 4.780 . 18.58025789260 . . . . . . . . . . 1 18729 9 >> 40 1 8.875 . 20.76327800750 . . . . . . . . . . 1 18729 9 >> 40 2 4.246 . 32.26548433300 . . . . . . . . . . 1 18729 9 >> 41 1 8.881 . 18.73373985290 . . . . . . . . . . 1 18729 9 >> 41 2 3.821 . 30.77785174050 . . . . . . . . . . 1 18729 9 >> 42 1 9.564 . 21.86134457590 . . . . . . . . . . 1 18729 9 >> 42 2 3.841 . 39.41208124160 . . . . . . . . . . 1 18729 9 >> 43 1 9.268 . 18.94876360890 . . . . . . . . . . 1 18729 9 >> 43 2 3.783 . 15.94324906670 . . . . . . . . . . 1 18729 9 >> 44 1 7.871 . 20.71142196660 . . . . . . . . . . 1 18729 9 >> 44 2 1.923 . 35.75732310610 . . . . . . . . . . 1 18729 9 >> 45 1 7.872 . 20.20597457890 . . . . . . . . . . 1 18729 9 >> 45 2 2.172 . 33.34234158200 . . . . . . . . . . 1 18729 9 >> 46 1 8.738 . 19.65701580050 . . . . . . . . . . 1 18729 9 >> 46 2 2.089 . 25.49638350800 . . . . . . . . . . 1 18729 9 >> 47 1 2.309 . 24.33001995090 . . . . . . . . . . 1 18729 9 >> 47 2 4.473 . 37.10935513180 . . . . . . . . . . 1 18729 9 >> 48 1 2.127 . 36.67414188390 . . . . . . . . . . 1 18729 9 >> 48 2 4.470 . 35.07037957510 . . . . . . . . . . 1 18729 9 >> 49 1 1.924 . 38.22445869450 . . . . . . . . . . 1 18729 9 >> 49 2 4.479 . 30.77586491900 . . . . . . . . . . 1 18729 9 >> 50 1 2.151 . 159.60097312900 . . . . . . . . . . 1 18729 9 >> 50 2 2.325 . 49.12167787550 . . . . . . . . . . 1 18729 9 >> 51 1 1.935 . 156.93724155400 . . . . . . . . . . 1 18729 9 >> 51 2 2.327 . 61.39775117240 . . . . . . . . . . 1 18729 9 >> 52 1 1.937 . 323.62580299400 . . . . . . . . . . 1 18729 9 >> 52 2 2.152 . 200.78569650700 . . . . . . . . . . 1 18729 9 >> 53 1 2.323 . 126.08349323300 . . . . . . . . . . 1 18729 9 >> 53 2 1.940 . 320.56123018300 . . . . . . . . . . 1 18729 9 >> 54 1 2.151 . 127.98786163300 . . . . . . . . . . 1 18729 9 >> 54 2 1.938 . 44.27681366600 . . . . . . . . . . 1 18729 9 >> 55 1 2.168 . 30.69996833800 . . . . . . . . . . 1 18729 9 >> 55 2 7.876 . 17.16688275340 . . . . . . . . . . 1 18729 9 >> 56 1 8.256 . 16.26491546630 . . . . . . . . . . 1 18729 9 >> 56 2 3.142 . 27.34959125520 . . . . . . . . . . 1 18729 9 >> 57 1 8.252 . 19.69456672670 . . . . . . . . . . 1 18729 9 >> 57 2 3.055 . 17.10702975590 . . . . . . . . . . 1 18729 9 >> 58 1 8.256 . 26.11339092250 . . . . . . . . . . 1 18729 9 >> 58 2 4.834 . 19.86548304560 . . . . . . . . . . 1 18729 9 >> 59 1 3.055 . 65.39702415470 . . . . . . . . . . 1 18729 9 >> 59 2 8.259 . 15.94622929890 . . . . . . . . . . 1 18729 9 >> 60 1 3.121 . 307.26552009600 . . . . . . . . . . 1 18729 9 >> 60 2 8.259 . 13.81809512770 . . . . . . . . . . 1 18729 9 >> 61 1 0.969 . 12.48359680180 . . . . . . . . . . 1 18729 9 >> 61 2 8.809 . 10.65929730730 . . . . . . . . . . 1 18729 9 >> 62 1 0.972 . 24.87003803250 . . . . . . . . . . 1 18729 9 >> 62 2 2.160 . 48.85544379550 . . . . . . . . . . 1 18729 9 >> 63 1 2.140 . 48.62785339360 . . . . . . . . . . 1 18729 9 >> 63 2 0.980 . 25.88480710980 . . . . . . . . . . 1 18729 9 >> 64 1 2.140 . 31.05401992800 . . . . . . . . . . 1 18729 9 >> 64 2 1.193 . 15.52899678550 . . . . . . . . . . 1 18729 9 >> 65 1 0.973 . 24.68466758730 . . . . . . . . . . 1 18729 9 >> 65 2 1.207 . 20.47171195350 . . . . . . . . . . 1 18729 9 >> 66 1 2.149 . 23.62728118900 . . . . . . . . . . 1 18729 9 >> 66 2 2.154 . 23.14945062000 . . . . . . . . . . 1 18729 9 >> 67 1 0.979 . 24.31571483610 . . . . . . . . . . 1 18729 9 >> 67 2 0.975 . 22.90854851400 . . . . . . . . . . 1 18729 9 >> 68 1 3.973 . 16.88301563260 . . . . . . . . . . 1 18729 9 >> 68 2 0.981 . 13.52230707800 . . . . . . . . . . 1 18729 9 >> 69 1 3.965 . 29.86729145050 . . . . . . . . . . 1 18729 9 >> 69 2 1.199 . 17.16117064160 . . . . . . . . . . 1 18729 9 >> 70 1 8.808 . 20.45661211010 . . . . . . . . . . 1 18729 9 >> 70 2 0.981 . 15.94771941500 . . . . . . . . . . 1 18729 9 >> 71 1 8.806 . 18.78142356870 . . . . . . . . . . 1 18729 9 >> 71 2 1.201 . 15.84738492970 . . . . . . . . . . 1 18729 9 >> 72 1 2.350 . 20.13206481930 . . . . . . . . . . 1 18729 9 >> 72 2 8.994 . 12.21373677250 . . . . . . . . . . 1 18729 9 >> 73 1 2.223 . 18.32723617550 . . . . . . . . . . 1 18729 9 >> 73 2 8.995 . 12.21733788650 . . . . . . . . . . 1 18729 9 >> 74 1 2.358 . 26.78692340850 . . . . . . . . . . 1 18729 9 >> 74 2 4.103 . 21.23514811200 . . . . . . . . . . 1 18729 9 >> 75 1 2.217 . 175.04692077600 . . . . . . . . . . 1 18729 9 >> 75 2 4.108 . 17.66035954160 . . . . . . . . . . 1 18729 9 >> 76 1 2.047 . 29.33084964750 . . . . . . . . . . 1 18729 9 >> 76 2 4.103 . 22.82162507380 . . . . . . . . . . 1 18729 9 >> 77 1 2.367 . 165.83502292600 . . . . . . . . . . 1 18729 9 >> 77 2 2.045 . 89.01258309680 . . . . . . . . . . 1 18729 9 >> 78 1 2.217 . 164.83008861500 . . . . . . . . . . 1 18729 9 >> 78 2 2.048 . 73.51338863370 . . . . . . . . . . 1 18729 9 >> 79 1 2.045 . 84.05923843380 . . . . . . . . . . 1 18729 9 >> 79 2 2.215 . 162.76886065800 . . . . . . . . . . 1 18729 9 >> 80 1 2.045 . 104.30395603200 . . . . . . . . . . 1 18729 9 >> 80 2 2.371 . 97.50376145040 . . . . . . . . . . 1 18729 9 >> 81 1 2.042 . 47.97518253330 . . . . . . . . . . 1 18729 9 >> 81 2 2.447 . 342.29308366800 . . . . . . . . . . 1 18729 9 >> 82 1 2.220 . 91.16768836980 . . . . . . . . . . 1 18729 9 >> 82 2 2.445 . 49.26174879070 . . . . . . . . . . 1 18729 9 >> 83 1 2.217 . 101.77671909300 . . . . . . . . . . 1 18729 9 >> 83 2 2.364 . 45.49473524090 . . . . . . . . . . 1 18729 9 >> 84 1 8.986 . 20.72975039480 . . . . . . . . . . 1 18729 9 >> 84 2 2.025 . 20.11309067410 . . . . . . . . . . 1 18729 9 >> 85 1 9.002 . 21.05712890620 . . . . . . . . . . 1 18729 9 >> 85 2 2.240 . 17.06779003140 . . . . . . . . . . 1 18729 9 >> 86 1 8.993 . 31.39674663540 . . . . . . . . . . 1 18729 9 >> 86 2 2.434 . 19.20312643050 . . . . . . . . . . 1 18729 9 >> 87 1 8.426 . 11.41965389250 . . . . . . . . . . 1 18729 9 >> 87 2 3.384 . 36.41744454700 . . . . . . . . . . 1 18729 9 >> 88 1 8.428 . 14.51551914220 . . . . . . . . . . 1 18729 9 >> 88 2 4.722 . 19.79718605680 . . . . . . . . . . 1 18729 9 >> 89 1 8.429 . 16.72387123110 . . . . . . . . . . 1 18729 9 >> 89 2 2.858 . 23.43455950420 . . . . . . . . . . 1 18729 9 >> 90 1 2.843 . 25.01964569090 . . . . . . . . . . 1 18729 9 >> 90 2 3.378 . 23.39631319050 . . . . . . . . . . 1 18729 9 >> 91 1 3.381 . 25.54714679720 . . . . . . . . . . 1 18729 9 >> 91 2 2.856 . 23.90195926030 . . . . . . . . . . 1 18729 9 >> 92 1 2.936 . 25.42078495030 . . . . . . . . . . 1 18729 9 >> 92 2 3.050 . 101.71482960400 . . . . . . . . . . 1 18729 9 >> 93 1 3.035 . 24.69420433040 . . . . . . . . . . 1 18729 9 >> 93 2 2.925 . 26.54294172920 . . . . . . . . . . 1 18729 9 >> 94 1 3.027 . 30.49612045290 . . . . . . . . . . 1 18729 9 >> 94 2 4.516 . 24.29634332660 . . . . . . . . . . 1 18729 9 >> 95 1 2.935 . 33.65993499760 . . . . . . . . . . 1 18729 9 >> 95 2 4.512 . 18.72579256690 . . . . . . . . . . 1 18729 9 >> 96 1 3.036 . 29.82854843140 . . . . . . . . . . 1 18729 9 >> 96 2 6.939 . 15.57767391200 . . . . . . . . . . 1 18729 9 >> 97 1 2.925 . 30.07531166080 . . . . . . . . . . 1 18729 9 >> 97 2 6.941 . 15.95218976340 . . . . . . . . . . 1 18729 9 >> 98 1 6.935 . 20.66671848300 . . . . . . . . . . 1 18729 9 >> 98 2 3.029 . 34.58509842550 . . . . . . . . . . 1 18729 9 >> 99 1 6.932 . 19.05649900440 . . . . . . . . . . 1 18729 9 >> 99 2 2.949 . 22.74811267850 . . . . . . . . . . 1 18729 9 >> 100 1 0.792 . 21.68834209440 . . . . . . . . . . 1 18729 9 >> 100 2 0.691 . 19.61588859560 . . . . . . . . . . 1 18729 9 >> 101 1 0.717 . 167.60945320100 . . . . . . . . . . 1 18729 9 >> 101 2 0.809 . 34.62334473930 . . . . . . . . . . 1 18729 9 >> 102 1 1.675 . 20.86639404300 . . . . . . . . . . 1 18729 9 >> 102 2 0.828 . 19.82003450390 . . . . . . . . . . 1 18729 9 >> 103 1 1.683 . 25.37727355960 . . . . . . . . . . 1 18729 9 >> 103 2 0.726 . 15.18627007800 . . . . . . . . . . 1 18729 9 >> 104 1 1.953 . 15.47157764430 . . . . . . . . . . 1 18729 9 >> 104 2 0.720 . 15.72718222940 . . . . . . . . . . 1 18729 9 >> 105 1 1.687 . 86.85231208800 . . . . . . . . . . 1 18729 9 >> 105 2 1.949 . 283.62472852100 . . . . . . . . . . 1 18729 9 >> 106 1 1.951 . 429.62491512300 . . . . . . . . . . 1 18729 9 >> 106 2 1.681 . 30.70632616680 . . . . . . . . . . 1 18729 9 >> 107 1 1.950 . 295.07994651800 . . . . . . . . . . 1 18729 9 >> 107 2 2.420 . 305.74053525900 . . . . . . . . . . 1 18729 9 >> 108 1 1.665 . 26.16822719570 . . . . . . . . . . 1 18729 9 >> 108 2 2.415 . 32.04445044200 . . . . . . . . . . 1 18729 9 >> 109 1 0.701 . 17.09401607510 . . . . . . . . . . 1 18729 9 >> 109 2 4.080 . 15.24190107980 . . . . . . . . . . 1 18729 9 >> 110 1 0.830 . 73.15099239350 . . . . . . . . . . 1 18729 9 >> 110 2 4.085 . 22.98802137370 . . . . . . . . . . 1 18729 9 >> 111 1 1.661 . 27.30011940000 . . . . . . . . . . 1 18729 9 >> 111 2 4.086 . 15.79374074940 . . . . . . . . . . 1 18729 9 >> 112 1 1.942 . 24.27279949190 . . . . . . . . . . 1 18729 9 >> 112 2 4.077 . 20.97884813940 . . . . . . . . . . 1 18729 9 >> 113 1 2.658 . 21.26693725590 . . . . . . . . . . 1 18729 9 >> 113 2 4.082 . 18.36220423380 . . . . . . . . . . 1 18729 9 >> 114 1 8.117 . 12.74108886720 . . . . . . . . . . 1 18729 9 >> 114 2 4.411 . 16.76529645920 . . . . . . . . . . 1 18729 9 >> 115 1 2.776 . 23.90384674070 . . . . . . . . . . 1 18729 9 >> 115 2 2.584 . 32.08468357720 . . . . . . . . . . 1 18729 9 >> 116 1 2.561 . 190.48571586600 . . . . . . . . . . 1 18729 9 >> 116 2 2.780 . 25.69705247880 . . . . . . . . . . 1 18729 9 >> 117 1 2.767 . 30.31969070430 . . . . . . . . . . 1 18729 9 >> 117 2 4.410 . 22.81616131460 . . . . . . . . . . 1 18729 9 >> 118 1 2.566 . 34.32214260100 . . . . . . . . . . 1 18729 9 >> 118 2 4.407 . 23.96404743190 . . . . . . . . . . 1 18729 9 >> 119 1 1.978 . 81.73644542690 . . . . . . . . . . 1 18729 9 >> 119 2 3.862 . 34.55430269240 . . . . . . . . . . 1 18729 9 >> 120 1 2.033 . 80.73210716250 . . . . . . . . . . 1 18729 9 >> 120 2 3.865 . 43.01667213440 . . . . . . . . . . 1 18729 9 >> 121 1 2.032 . 141.12353324900 . . . . . . . . . . 1 18729 9 >> 121 2 4.202 . 62.17807531360 . . . . . . . . . . 1 18729 9 >> 122 1 1.983 . 72.88277149200 . . . . . . . . . . 1 18729 9 >> 122 2 4.200 . 59.62997674940 . . . . . . . . . . 1 18729 9 >> 123 1 3.857 . 105.06272316000 . . . . . . . . . . 1 18729 9 >> 123 2 2.072 . 21.17156982420 . . . . . . . . . . 1 18729 9 >> 124 1 3.860 . 38.69533538820 . . . . . . . . . . 1 18729 9 >> 124 2 1.983 . 79.09288009010 . . . . . . . . . . 1 18729 9 >> 125 1 4.188 . 56.26142024990 . . . . . . . . . . 1 18729 9 >> 125 2 1.978 . 45.61295111970 . . . . . . . . . . 1 18729 9 >> 126 1 2.262 . 86.20262146000 . . . . . . . . . . 1 18729 9 >> 126 2 4.111 . 19.93527015050 . . . . . . . . . . 1 18729 9 >> 127 1 2.077 . 29.33084964750 . . . . . . . . . . 1 18729 9 >> 127 2 4.105 . 22.82162507380 . . . . . . . . . . 1 18729 9 >> 128 1 2.092 . 39.34860229490 . . . . . . . . . . 1 18729 9 >> 128 2 2.370 . 34.01190042500 . . . . . . . . . . 1 18729 9 >> 129 1 2.268 . 85.31332015990 . . . . . . . . . . 1 18729 9 >> 129 2 2.368 . 91.38286113740 . . . . . . . . . . 1 18729 9 >> 130 1 2.367 . 120.58377265900 . . . . . . . . . . 1 18729 9 >> 130 2 2.266 . 42.84729560220 . . . . . . . . . . 1 18729 9 >> 131 1 2.372 . 25.55847167970 . . . . . . . . . . 1 18729 9 >> 131 2 2.092 . 33.13521544140 . . . . . . . . . . 1 18729 9 >> 132 1 2.265 . 170.94194889100 . . . . . . . . . . 1 18729 9 >> 132 2 2.093 . 132.35708077700 . . . . . . . . . . 1 18729 9 >> 133 1 2.090 . 164.05761241900 . . . . . . . . . . 1 18729 9 >> 133 2 2.268 . 89.19338385260 . . . . . . . . . . 1 18729 9 >> 134 1 8.739 . 20.60204744340 . . . . . . . . . . 1 18729 9 >> 134 2 2.280 . 21.05832099910 . . . . . . . . . . 1 18729 9 >> 135 1 8.738 . 15.93738794330 . . . . . . . . . . 1 18729 9 >> 135 2 2.364 . 14.96622959770 . . . . . . . . . . 1 18729 9 >> 136 1 8.735 . 13.83394002910 . . . . . . . . . . 1 18729 9 >> 136 2 4.104 . 24.32217200600 . . . . . . . . . . 1 18729 9 >> 137 1 2.083 . 30.98964691160 . . . . . . . . . . 1 18729 9 >> 137 2 8.743 . 10.34451027710 . . . . . . . . . . 1 18729 9 >> 138 1 2.282 . 10.87605953220 . . . . . . . . . . 1 18729 9 >> 138 2 8.746 . 11.53312623500 . . . . . . . . . . 1 18729 9 >> 139 1 2.370 . 45.90034484860 . . . . . . . . . . 1 18729 9 >> 139 2 8.742 . 11.95184886460 . . . . . . . . . . 1 18729 9 >> 140 1 1.908 . 68.75157356260 . . . . . . . . . . 1 18729 9 >> 140 2 4.419 . 18.41137806570 . . . . . . . . . . 1 18729 9 >> 141 1 1.791 . 34.35671329500 . . . . . . . . . . 1 18729 9 >> 141 2 4.419 . 18.91255378720 . . . . . . . . . . 1 18729 9 >> 142 1 1.697 . 70.71197032930 . . . . . . . . . . 1 18729 9 >> 142 2 4.413 . 34.11769866940 . . . . . . . . . . 1 18729 9 >> 143 1 3.029 . 29.09243106840 . . . . . . . . . . 1 18729 9 >> 143 2 4.422 . 24.22283093130 . . . . . . . . . . 1 18729 9 >> 144 1 1.909 . 45.08435726170 . . . . . . . . . . 1 18729 9 >> 144 2 3.046 . 18.89169216160 . . . . . . . . . . 1 18729 9 >> 145 1 1.728 . 28.60128879550 . . . . . . . . . . 1 18729 9 >> 145 2 3.046 . 18.65625381470 . . . . . . . . . . 1 18729 9 >> 146 1 1.516 . 30.57241439820 . . . . . . . . . . 1 18729 9 >> 146 2 3.041 . 20.73695262270 . . . . . . . . . . 1 18729 9 >> 147 1 1.515 . 35.58695316310 . . . . . . . . . . 1 18729 9 >> 147 2 1.918 . 26.78632736210 . . . . . . . . . . 1 18729 9 >> 148 1 1.513 . 29.35111522670 . . . . . . . . . . 1 18729 9 >> 148 2 1.735 . 22.66714970270 . . . . . . . . . . 1 18729 9 >> 149 1 1.737 . 224.65407848400 . . . . . . . . . . 1 18729 9 >> 149 2 1.903 . 235.70110400500 . . . . . . . . . . 1 18729 9 >> 150 1 1.907 . 339.36977386500 . . . . . . . . . . 1 18729 9 >> 150 2 1.738 . 148.24370543200 . . . . . . . . . . 1 18729 9 >> 151 1 1.912 . 26.39651298520 . . . . . . . . . . 1 18729 9 >> 151 2 1.516 . 54.68279123310 . . . . . . . . . . 1 18729 9 >> 152 1 1.729 . 26.83103084560 . . . . . . . . . . 1 18729 9 >> 152 2 1.514 . 22.65423536300 . . . . . . . . . . 1 18729 9 >> 153 1 1.824 . 365.18454551700 . . . . . . . . . . 1 18729 9 >> 153 2 1.734 . 110.47621568000 . . . . . . . . . . 1 18729 9 >> 154 1 1.733 . 146.83425426500 . . . . . . . . . . 1 18729 9 >> 154 2 1.824 . 160.10105609900 . . . . . . . . . . 1 18729 9 >> 155 1 1.829 . 233.45828056300 . . . . . . . . . . 1 18729 9 >> 155 2 1.907 . 140.09426037500 . . . . . . . . . . 1 18729 9 >> 156 1 1.909 . 208.72235298200 . . . . . . . . . . 1 18729 9 >> 156 2 1.825 . 146.35970195100 . . . . . . . . . . 1 18729 9 >> 157 1 1.425 . 87.66829967500 . . . . . . . . . . 1 18729 9 >> 157 2 1.824 . 152.50543753300 . . . . . . . . . . 1 18729 9 >> 158 1 3.036 . 22.39227294920 . . . . . . . . . . 1 18729 9 >> 158 2 1.517 . 22.03583717350 . . . . . . . . . . 1 18729 9 >> 159 1 3.036 . 21.97563648220 . . . . . . . . . . 1 18729 9 >> 159 2 1.740 . 25.28478701910 . . . . . . . . . . 1 18729 9 >> 160 1 3.034 . 35.73656082150 . . . . . . . . . . 1 18729 9 >> 160 2 1.846 . 115.09507894500 . . . . . . . . . . 1 18729 9 >> 161 1 3.039 . 25.01666545870 . . . . . . . . . . 1 18729 9 >> 161 2 1.925 . 159.05996163700 . . . . . . . . . . 1 18729 9 >> 162 1 7.463 . 20.49088478090 . . . . . . . . . . 1 18729 9 >> 162 2 1.519 . 17.78652270640 . . . . . . . . . . 1 18729 9 >> 163 1 7.446 . 17.80837774280 . . . . . . . . . . 1 18729 9 >> 163 2 1.910 . 21.68416976930 . . . . . . . . . . 1 18729 9 >> 164 1 7.455 . 19.36137676240 . . . . . . . . . . 1 18729 9 >> 164 2 1.815 . 26.51313940680 . . . . . . . . . . 1 18729 9 >> 165 1 7.447 . 24.96689558030 . . . . . . . . . . 1 18729 9 >> 165 2 1.723 . 28.66437037790 . . . . . . . . . . 1 18729 9 >> 166 1 7.450 . 22.89861440660 . . . . . . . . . . 1 18729 9 >> 166 2 3.038 . 15.85185527800 . . . . . . . . . . 1 18729 9 >> 167 1 1.802 . 35.73000431060 . . . . . . . . . . 1 18729 9 >> 167 2 7.458 . 18.88051629070 . . . . . . . . . . 1 18729 9 >> 168 1 1.707 . 22.43757247920 . . . . . . . . . . 1 18729 9 >> 168 2 7.459 . 15.12020826340 . . . . . . . . . . 1 18729 9 >> 169 1 1.902 . 24.38902854920 . . . . . . . . . . 1 18729 9 >> 169 2 7.456 . 39.89289204280 . . . . . . . . . . 1 18729 9 >> 170 1 7.930 . 20.72453498840 . . . . . . . . . . 1 18729 9 >> 170 2 2.542 . 47.38618930180 . . . . . . . . . . 1 18729 9 >> 171 1 7.926 . 25.76380968090 . . . . . . . . . . 1 18729 9 >> 171 2 2.498 . 43.67878039680 . . . . . . . . . . 1 18729 9 >> 172 1 7.930 . 18.38237047200 . . . . . . . . . . 1 18729 9 >> 172 2 4.811 . 16.06941223140 . . . . . . . . . . 1 18729 9 >> 173 1 2.497 . 43.91551017760 . . . . . . . . . . 1 18729 9 >> 173 2 7.926 . 14.56762353580 . . . . . . . . . . 1 18729 9 >> 174 1 1.732 . 48.14684391020 . . . . . . . . . . 1 18729 9 >> 174 2 7.934 . 36.36106848720 . . . . . . . . . . 1 18729 9 >> 175 1 1.732 . 33.44953060150 . . . . . . . . . . 1 18729 9 >> 175 2 2.557 . 17.26547876990 . . . . . . . . . . 1 18729 9 >> 176 1 2.302 . 55.83584308620 . . . . . . . . . . 1 18729 9 >> 176 2 2.548 . 52.29463179910 . . . . . . . . . . 1 18729 9 >> 177 1 2.490 . 71.07913494110 . . . . . . . . . . 1 18729 9 >> 177 2 2.549 . 56.28466606140 . . . . . . . . . . 1 18729 9 >> 178 1 2.549 . 131.63089752200 . . . . . . . . . . 1 18729 9 >> 178 2 2.488 . 144.59192752800 . . . . . . . . . . 1 18729 9 >> 179 1 2.541 . 64.15307521820 . . . . . . . . . . 1 18729 9 >> 179 2 2.285 . 25.64042806630 . . . . . . . . . . 1 18729 9 >> 180 1 2.487 . 61.96260452270 . . . . . . . . . . 1 18729 9 >> 180 2 2.285 . 14.17050759000 . . . . . . . . . . 1 18729 9 >> 181 1 2.535 . 49.51119422910 . . . . . . . . . . 1 18729 9 >> 181 2 1.752 . 35.31128168110 . . . . . . . . . . 1 18729 9 >> 182 1 2.487 . 19.08242702480 . . . . . . . . . . 1 18729 9 >> 182 2 1.735 . 25.01507600150 . . . . . . . . . . 1 18729 9 >> 183 1 1.724 . 30.46572208400 . . . . . . . . . . 1 18729 9 >> 183 2 2.503 . 14.52167828880 . . . . . . . . . . 1 18729 9 >> 184 1 2.298 . 224.06578064000 . . . . . . . . . . 1 18729 9 >> 184 2 2.492 . 52.65076955160 . . . . . . . . . . 1 18729 9 >> 185 1 7.661 . 16.36683940890 . . . . . . . . . . 1 18729 9 >> 185 2 3.834 . 35.65698862080 . . . . . . . . . . 1 18729 9 >> 186 1 3.827 . 39.22164440160 . . . . . . . . . . 1 18729 9 >> 186 2 7.660 . 16.89468820890 . . . . . . . . . . 1 18729 9 >> 187 1 8.606 . 24.18339252470 . . . . . . . . . . 1 18729 9 >> 187 2 3.140 . 35.89491049450 . . . . . . . . . . 1 18729 9 >> 188 1 8.602 . 17.27402210240 . . . . . . . . . . 1 18729 9 >> 188 2 2.349 . 43.67927710220 . . . . . . . . . . 1 18729 9 >> 189 1 8.601 . 17.57800579070 . . . . . . . . . . 1 18729 9 >> 189 2 4.891 . 61.83261672660 . . . . . . . . . . 1 18729 9 >> 190 1 3.148 . 23.16772937770 . . . . . . . . . . 1 18729 9 >> 190 2 8.611 . 14.28648829460 . . . . . . . . . . 1 18729 9 >> 191 1 2.354 . 19.74761486050 . . . . . . . . . . 1 18729 9 >> 191 2 8.606 . 14.02062674360 . . . . . . . . . . 1 18729 9 >> 192 1 2.353 . 29.17230129240 . . . . . . . . . . 1 18729 9 >> 192 2 3.135 . 29.46456273400 . . . . . . . . . . 1 18729 9 >> 193 1 3.140 . 37.80782222750 . . . . . . . . . . 1 18729 9 >> 193 2 2.352 . 17.68817504250 . . . . . . . . . . 1 18729 9 >> 194 1 8.224 . 43.08730363850 . . . . . . . . . . 1 18729 9 >> 194 2 3.050 . 44.53609387080 . . . . . . . . . . 1 18729 9 >> 195 1 8.223 . 38.18243741990 . . . . . . . . . . 1 18729 9 >> 195 2 4.887 . 20.92892924940 . . . . . . . . . . 1 18729 9 >> 196 1 3.051 . 46.70739173890 . . . . . . . . . . 1 18729 9 >> 196 2 3.608 . 32.88686275480 . . . . . . . . . . 1 18729 9 >> 197 1 3.601 . 37.14382648470 . . . . . . . . . . 1 18729 9 >> 197 2 3.053 . 14.91258541740 . . . . . . . . . . 1 18729 9 >> 198 1 9.447 . 17.54403114320 . . . . . . . . . . 1 18729 9 >> 198 2 2.704 . 23.23935429260 . . . . . . . . . . 1 18729 9 >> 199 1 9.447 . 15.14494419100 . . . . . . . . . . 1 18729 9 >> 199 2 3.024 . 18.58423153560 . . . . . . . . . . 1 18729 9 >> 200 1 9.263 . 17.94740557670 . . . . . . . . . . 1 18729 9 >> 200 2 3.248 . 15.89556535090 . . . . . . . . . . 1 18729 9 >> 201 1 9.260 . 25.48277378080 . . . . . . . . . . 1 18729 9 >> 201 2 2.740 . 27.52145131430 . . . . . . . . . . 1 18729 9 >> 202 1 2.730 . 31.44621849060 . . . . . . . . . . 1 18729 9 >> 202 2 3.279 . 31.44145011900 . . . . . . . . . . 1 18729 9 >> 203 1 3.267 . 32.58287906650 . . . . . . . . . . 1 18729 9 >> 203 2 2.725 . 18.28471819560 . . . . . . . . . . 1 18729 9 >> 204 1 3.804 . 28.64360809330 . . . . . . . . . . 1 18729 9 >> 204 2 4.274 . 16.18812481560 . . . . . . . . . . 1 18729 9 >> 205 1 1.652 . 28.03564071660 . . . . . . . . . . 1 18729 9 >> 205 2 9.150 . 18.74441901840 . . . . . . . . . . 1 18729 9 >> 206 1 3.212 . 33.74695777890 . . . . . . . . . . 1 18729 9 >> 206 2 9.156 . 20.61451474830 . . . . . . . . . . 1 18729 9 >> 207 1 1.639 . 52.88720130920 . . . . . . . . . . 1 18729 9 >> 207 2 3.231 . 33.26932589210 . . . . . . . . . . 1 18729 9 >> 208 1 3.213 . 34.96050834660 . . . . . . . . . . 1 18729 9 >> 208 2 1.653 . 48.49632581080 . . . . . . . . . . 1 18729 9 >> 209 1 9.146 . 27.16556191440 . . . . . . . . . . 1 18729 9 >> 209 2 3.215 . 15.51260550820 . . . . . . . . . . 1 18729 9 >> 210 1 10.614 . 16.31751656530 . . . . . . . . . . 1 18729 9 >> 210 2 3.464 . 15.18726348880 . . . . . . . . . . 1 18729 9 >> 211 1 2.693 . 30.89070320130 . . . . . . . . . . 1 18729 9 >> 211 2 3.439 . 23.08338880540 . . . . . . . . . . 1 18729 9 >> 212 1 3.433 . 22.72427082060 . . . . . . . . . . 1 18729 9 >> 212 2 2.724 . 31.32820129390 . . . . . . . . . . 1 18729 9 >> 213 1 0.881 . 10.71274280550 . . . . . . . . . . 1 18729 9 >> 213 2 8.769 . 11.24677558740 . . . . . . . . . . 1 18729 9 >> 214 1 1.774 . 27.52482891080 . . . . . . . . . . 1 18729 9 >> 214 2 4.298 . 20.99275588990 . . . . . . . . . . 1 18729 9 >> 215 1 0.788 . 22.06444740300 . . . . . . . . . . 1 18729 9 >> 215 2 4.296 . 19.67002948130 . . . . . . . . . . 1 18729 9 >> 216 1 0.886 . 19.01626586910 . . . . . . . . . . 1 18729 9 >> 216 2 4.291 . 23.66900444030 . . . . . . . . . . 1 18729 9 >> 217 1 0.789 . 22.03106880190 . . . . . . . . . . 1 18729 9 >> 217 2 1.777 . 28.86603275930 . . . . . . . . . . 1 18729 9 >> 218 1 0.886 . 19.70887184140 . . . . . . . . . . 1 18729 9 >> 218 2 1.779 . 35.32022237780 . . . . . . . . . . 1 18729 9 >> 219 1 0.791 . 22.87387847900 . . . . . . . . . . 1 18729 9 >> 219 2 0.894 . 22.77741829550 . . . . . . . . . . 1 18729 9 >> 220 1 0.918 . 39.05475139620 . . . . . . . . . . 1 18729 9 >> 220 2 0.822 . 157.12976455700 . . . . . . . . . . 1 18729 9 >> 221 1 1.763 . 36.18180751800 . . . . . . . . . . 1 18729 9 >> 221 2 0.888 . 16.96944236760 . . . . . . . . . . 1 18729 9 >> 222 1 1.766 . 23.95451068880 . . . . . . . . . . 1 18729 9 >> 222 2 0.792 . 16.67042573290 . . . . . . . . . . 1 18729 9 >> 223 1 8.766 . 23.73367547990 . . . . . . . . . . 1 18729 9 >> 223 2 0.891 . 15.55085182190 . . . . . . . . . . 1 18729 9 >> 224 1 8.763 . 14.57750797270 . . . . . . . . . . 1 18729 9 >> 224 2 1.800 . 27.83189217250 . . . . . . . . . . 1 18729 9 >> 225 1 8.759 . 30.04848957060 . . . . . . . . . . 1 18729 9 >> 225 2 0.788 . 16.79956912990 . . . . . . . . . . 1 18729 9 >> 226 1 9.270 . 15.81490039830 . . . . . . . . . . 1 18729 9 >> 226 2 3.310 . 25.91063578920 . . . . . . . . . . 1 18729 9 >> 227 1 9.279 . 14.17607069020 . . . . . . . . . . 1 18729 9 >> 227 2 1.832 . 15.67701498670 . . . . . . . . . . 1 18729 9 >> 228 1 2.005 . 127.73811817200 . . . . . . . . . . 1 18729 9 >> 228 2 3.788 . 25.63595771790 . . . . . . . . . . 1 18729 9 >> 229 1 1.643 . 198.83215427400 . . . . . . . . . . 1 18729 9 >> 229 2 3.786 . 18.21517944340 . . . . . . . . . . 1 18729 9 >> 230 1 1.843 . 144.19853687300 . . . . . . . . . . 1 18729 9 >> 230 2 3.783 . 16.31826162340 . . . . . . . . . . 1 18729 9 >> 231 1 3.293 . 25.61926841740 . . . . . . . . . . 1 18729 9 >> 231 2 3.785 . 17.51830180490 . . . . . . . . . . 1 18729 9 >> 232 1 2.005 . 20.05457878110 . . . . . . . . . . 1 18729 9 >> 232 2 3.283 . 52.56086587910 . . . . . . . . . . 1 18729 9 >> 233 1 1.644 . 155.67421913100 . . . . . . . . . . 1 18729 9 >> 233 2 3.279 . 136.91385587100 . . . . . . . . . . 1 18729 9 >> 234 1 1.844 . 57.92856216430 . . . . . . . . . . 1 18729 9 >> 234 2 3.283 . 81.18351300560 . . . . . . . . . . 1 18729 9 >> 235 1 2.311 . 38.39731216430 . . . . . . . . . . 1 18729 9 >> 235 2 2.134 . 32.28833278020 . . . . . . . . . . 1 18729 9 >> 236 1 3.293 . 91.05801582340 . . . . . . . . . . 1 18729 9 >> 236 2 2.010 . 20.82586288450 . . . . . . . . . . 1 18729 9 >> 237 1 3.290 . 97.78916835780 . . . . . . . . . . 1 18729 9 >> 237 2 1.832 . 48.07760318120 . . . . . . . . . . 1 18729 9 >> 238 1 3.787 . 100.22342205000 . . . . . . . . . . 1 18729 9 >> 238 2 2.010 . 26.91994110740 . . . . . . . . . . 1 18729 9 >> 239 1 8.368 . 14.92321491240 . . . . . . . . . . 1 18729 9 >> 239 2 2.910 . 30.27468919750 . . . . . . . . . . 1 18729 9 >> 240 1 8.367 . 15.44982194900 . . . . . . . . . . 1 18729 9 >> 240 2 3.289 . 17.43932565050 . . . . . . . . . . 1 18729 9 >> 241 1 3.276 . 25.90358257290 . . . . . . . . . . 1 18729 9 >> 241 2 8.364 . 17.28745798270 . . . . . . . . . . 1 18729 9 >> 242 1 2.913 . 42.89031028750 . . . . . . . . . . 1 18729 9 >> 242 2 8.369 . 17.45733122030 . . . . . . . . . . 1 18729 9 >> 243 1 2.926 . 24.07133579250 . . . . . . . . . . 1 18729 9 >> 243 2 3.286 . 17.52724250160 . . . . . . . . . . 1 18729 9 >> 244 1 3.285 . 23.00739288330 . . . . . . . . . . 1 18729 9 >> 244 2 2.941 . 17.27888981500 . . . . . . . . . . 1 18729 9 >> 245 1 1.920 . 58.12048912050 . . . . . . . . . . 1 18729 9 >> 245 2 7.881 . 17.61789123220 . . . . . . . . . . 1 18729 9 >> 246 1 2.167 . 23.99146556850 . . . . . . . . . . 1 18729 9 >> 246 2 5.046 . 24.10138646760 . . . . . . . . . . 1 18729 9 >> 247 1 1.885 . 27.81033515930 . . . . . . . . . . 1 18729 9 >> 247 2 5.049 . 27.35555171970 . . . . . . . . . . 1 18729 9 >> 248 1 2.178 . 117.32459068300 . . . . . . . . . . 1 18729 9 >> 248 2 1.919 . 40.35035769140 . . . . . . . . . . 1 18729 9 >> 249 1 1.917 . 199.64754581500 . . . . . . . . . . 1 18729 9 >> 249 2 2.180 . 280.46915928500 . . . . . . . . . . 1 18729 9 >> 250 1 8.989 . 18.15900206570 . . . . . . . . . . 1 18729 9 >> 250 2 3.667 . 16.55866702400 . . . . . . . . . . 1 18729 9 >> 251 1 8.986 . 14.45621252060 . . . . . . . . . . 1 18729 9 >> 251 2 5.262 . 22.81640966730 . . . . . . . . . . 1 18729 9 >> 252 1 2.764 . 29.31535243990 . . . . . . . . . . 1 18729 9 >> 252 2 8.995 . 10.90976099170 . . . . . . . . . . 1 18729 9 >> 253 1 2.756 . 19.26779747010 . . . . . . . . . . 1 18729 9 >> 253 2 5.259 . 17.98470815020 . . . . . . . . . . 1 18729 9 >> 254 1 2.765 . 25.73192119600 . . . . . . . . . . 1 18729 9 >> 254 2 3.668 . 23.77380927400 . . . . . . . . . . 1 18729 9 >> 255 1 3.671 . 17.34614372250 . . . . . . . . . . 1 18729 9 >> 255 2 2.762 . 27.74049838380 . . . . . . . . . . 1 18729 9 >> 256 1 2.074 . 15.13183116910 . . . . . . . . . . 1 18729 9 >> 256 2 9.611 . 18.14986268680 . . . . . . . . . . 1 18729 9 >> 257 1 2.077 . 28.98693084720 . . . . . . . . . . 1 18729 9 >> 257 2 4.765 . 33.07759761810 . . . . . . . . . . 1 18729 9 >> 258 1 1.769 . 24.28293228150 . . . . . . . . . . 1 18729 9 >> 258 2 4.767 . 23.73854319250 . . . . . . . . . . 1 18729 9 >> 259 1 1.761 . 25.80106258390 . . . . . . . . . . 1 18729 9 >> 259 2 2.084 . 33.38505824410 . . . . . . . . . . 1 18729 9 >> 260 1 2.082 . 26.43525600430 . . . . . . . . . . 1 18729 9 >> 260 2 1.772 . 23.71966838840 . . . . . . . . . . 1 18729 9 >> 261 1 3.259 . 80.72853088380 . . . . . . . . . . 1 18729 9 >> 261 2 2.077 . 15.84241787590 . . . . . . . . . . 1 18729 9 >> 262 1 3.260 . 68.54772567750 . . . . . . . . . . 1 18729 9 >> 262 2 1.770 . 57.51152833300 . . . . . . . . . . 1 18729 9 >> 263 1 2.962 . 64.28539752960 . . . . . . . . . . 1 18729 9 >> 263 2 8.690 . 13.77699275810 . . . . . . . . . . 1 18729 9 >> 264 1 2.829 . 31.80921077730 . . . . . . . . . . 1 18729 9 >> 264 2 8.697 . 19.96606588360 . . . . . . . . . . 1 18729 9 >> 265 1 2.940 . 31.69834613800 . . . . . . . . . . 1 18729 9 >> 265 2 4.566 . 19.10974582040 . . . . . . . . . . 1 18729 9 >> 266 1 2.840 . 38.73765468600 . . . . . . . . . . 1 18729 9 >> 266 2 4.567 . 20.58744430540 . . . . . . . . . . 1 18729 9 >> 267 1 2.827 . 27.86457538600 . . . . . . . . . . 1 18729 9 >> 267 2 2.960 . 29.97815608980 . . . . . . . . . . 1 18729 9 >> 268 1 2.946 . 28.17988395690 . . . . . . . . . . 1 18729 9 >> 268 2 2.843 . 21.39558394750 . . . . . . . . . . 1 18729 9 >> 269 1 8.692 . 21.43859863280 . . . . . . . . . . 1 18729 9 >> 269 2 2.952 . 23.93722534180 . . . . . . . . . . 1 18729 9 >> 270 1 3.536 . 33.58244895940 . . . . . . . . . . 1 18729 9 >> 270 2 8.420 . 12.92141775290 . . . . . . . . . . 1 18729 9 >> 271 1 3.535 . 33.43760967250 . . . . . . . . . . 1 18729 9 >> 271 2 3.757 . 27.59347359340 . . . . . . . . . . 1 18729 9 >> 272 1 3.762 . 35.80331802370 . . . . . . . . . . 1 18729 9 >> 272 2 3.540 . 15.76791207000 . . . . . . . . . . 1 18729 9 >> 273 1 7.296 . 20.52307128910 . . . . . . . . . . 1 18729 9 >> 273 2 7.298 . 21.17902040480 . . . . . . . . . . 1 18729 9 >> 274 1 7.350 . 23.67883920670 . . . . . . . . . . 1 18729 9 >> 274 2 7.350 . 21.91737294200 . . . . . . . . . . 1 18729 9 >> 275 1 7.286 . 37.55837678910 . . . . . . . . . . 1 18729 9 >> 275 2 7.289 . 46.92102471990 . . . . . . . . . . 1 18729 9 >> 278 1 7.553 . 18.47892999650 . . . . . . . . . . 1 18729 9 >> 278 2 7.558 . 20.88745435080 . . . . . . . . . . 1 18729 9 >> 279 1 7.547 . 31.50463104250 . . . . . . . . . . 1 18729 9 >> 279 2 7.229 . 19.63873704270 . . . . . . . . . . 1 18729 9 >> 280 1 7.547 . 27.47863531110 . . . . . . . . . . 1 18729 9 >> 280 2 7.340 . 23.86271953580 . . . . . . . . . . 1 18729 9 >> 281 1 7.347 . 30.62307834630 . . . . . . . . . . 1 18729 9 >> 281 2 7.550 . 60.35690506300 . . . . . . . . . . 1 18729 9 >> 282 1 7.227 . 19.45436000820 . . . . . . . . . . 1 18729 9 >> 282 2 7.564 . 25.75988570850 . . . . . . . . . . 1 18729 9 >> 283 1 7.623 . 15.55413007740 . . . . . . . . . . 1 18729 9 >> 283 2 7.628 . 18.05722713470 . . . . . . . . . . 1 18729 9 >> 284 1 7.609 . 15.90818166730 . . . . . . . . . . 1 18729 9 >> 284 2 7.614 . 19.77284749350 . . . . . . . . . . 1 18729 9 >> 285 1 7.634 . 21.40194177630 . . . . . . . . . . 1 18729 9 >> 285 2 7.638 . 27.10148692130 . . . . . . . . . . 1 18729 9 >> 286 1 7.620 . 18.50664615630 . . . . . . . . . . 1 18729 9 >> 286 2 7.557 . 13.16790779430 . . . . . . . . . . 1 18729 9 >> 287 1 7.555 . 15.70075750350 . . . . . . . . . . 1 18729 9 >> 287 2 7.637 . 15.92114567760 . . . . . . . . . . 1 18729 9 >> 288 1 7.340 . 24.01977777480 . . . . . . . . . . 1 18729 9 >> 288 2 7.340 . 23.63771200180 . . . . . . . . . . 1 18729 9 >> 289 1 7.223 . 21.38793468480 . . . . . . . . . . 1 18729 9 >> 289 2 7.229 . 25.41293700540 . . . . . . . . . . 1 18729 9 >> 290 1 7.347 . 104.33226823800 . . . . . . . . . . 1 18729 9 >> 290 2 7.229 . 58.85710318880 . . . . . . . . . . 1 18729 9 >> 291 1 7.230 . 165.14688730200 . . . . . . . . . . 1 18729 9 >> 291 2 7.348 . 103.04326812400 . . . . . . . . . . 1 18729 9 >> 292 1 7.451 . 18.35703849790 . . . . . . . . . . 1 18729 9 >> 292 2 1.416 . 22.33386039730 . . . . . . . . . . 1 18729 9 >> 293 1 1.914 . 23.29707145690 . . . . . . . . . . 1 18729 9 >> 293 2 1.411 . 23.22594324750 . . . . . . . . . . 1 18729 9 >> 294 1 1.730 . 56.17678165440 . . . . . . . . . . 1 18729 9 >> 294 2 1.420 . 85.15467246370 . . . . . . . . . . 1 18729 9 >> 295 1 1.427 . 85.85572242740 . . . . . . . . . . 1 18729 9 >> 295 2 1.735 . 55.41990200680 . . . . . . . . . . 1 18729 9 >> 296 1 1.518 . 22.82202243800 . . . . . . . . . . 1 18729 9 >> 296 2 1.824 . 224.45321083100 . . . . . . . . . . 1 18729 9 >> 297 1 1.423 . 101.55975818600 . . . . . . . . . . 1 18729 9 >> 297 2 1.919 . 28.83672714230 . . . . . . . . . . 1 18729 9 >> 298 1 1.415 . 80.12890815730 . . . . . . . . . . 1 18729 9 >> 298 2 3.034 . 21.37124538420 . . . . . . . . . . 1 18729 9 >> 299 1 3.032 . 26.63850784300 . . . . . . . . . . 1 18729 9 >> 299 2 1.424 . 31.39525651930 . . . . . . . . . . 1 18729 9 >> 300 1 3.301 . 96.61018848420 . . . . . . . . . . 1 18729 9 >> 300 2 1.644 . 65.04108508430 . . . . . . . . . . 1 18729 9 >> 301 1 2.000 . 396.47102356000 . . . . . . . . . . 1 18729 9 >> 301 2 1.844 . 71.08896970750 . . . . . . . . . . 1 18729 9 >> 302 1 1.842 . 216.05312824200 . . . . . . . . . . 1 18729 9 >> 302 2 1.998 . 285.52561998400 . . . . . . . . . . 1 18729 9 >> 303 1 1.645 . 53.00760269170 . . . . . . . . . . 1 18729 9 >> 303 2 1.997 . 328.62871885300 . . . . . . . . . . 1 18729 9 >> 304 1 1.644 . 191.80297851600 . . . . . . . . . . 1 18729 9 >> 304 2 1.842 . 319.79580720300 . . . . . . . . . . 1 18729 9 >> 305 1 1.842 . 282.90033340500 . . . . . . . . . . 1 18729 9 >> 305 2 1.644 . 127.75411208500 . . . . . . . . . . 1 18729 9 >> 306 1 1.999 . 34.03842449190 . . . . . . . . . . 1 18729 9 >> 306 2 1.644 . 55.42784929280 . . . . . . . . . . 1 18729 9 >> 307 1 9.163 . 25.72819590570 . . . . . . . . . . 1 18729 9 >> 307 2 1.650 . 27.02573935190 . . . . . . . . . . 1 18729 9 >> 308 1 1.689 . 104.42614555400 . . . . . . . . . . 1 18729 9 >> 308 2 3.788 . 29.89967664080 . . . . . . . . . . 1 18729 9 >> 309 1 1.650 . 66.55931472780 . . . . . . . . . . 1 18729 9 >> 309 2 9.297 . 16.87246064350 . . . . . . . . . . 1 18729 9 >> 310 1 1.690 . 135.91110706300 . . . . . . . . . . 1 18729 9 >> 310 2 3.281 . 66.78601106010 . . . . . . . . . . 1 18729 9 >> 311 1 1.689 . 84.87641811370 . . . . . . . . . . 1 18729 9 >> 311 2 1.997 . 433.94466241200 . . . . . . . . . . 1 18729 9 >> 312 1 1.688 . 148.02396297500 . . . . . . . . . . 1 18729 9 >> 312 2 1.843 . 227.08177566500 . . . . . . . . . . 1 18729 9 >> 313 1 1.843 . 308.80272388500 . . . . . . . . . . 1 18729 9 >> 313 2 1.688 . 127.47297684400 . . . . . . . . . . 1 18729 9 >> 314 1 1.999 . 315.74606895400 . . . . . . . . . . 1 18729 9 >> 314 2 1.688 . 53.81355683010 . . . . . . . . . . 1 18729 9 >> 315 1 3.293 . 107.10656642900 . . . . . . . . . . 1 18729 9 >> 315 2 1.691 . 68.49070390070 . . . . . . . . . . 1 18729 9 >> 316 1 1.430 . 23.18561077120 . . . . . . . . . . 1 18729 9 >> 316 2 1.140 . 17.60820547740 . . . . . . . . . . 1 18729 9 >> 317 1 1.420 . 90.74747562410 . . . . . . . . . . 1 18729 9 >> 317 2 0.889 . 18.44465732570 . . . . . . . . . . 1 18729 9 >> 318 1 1.413 . 31.48198127750 . . . . . . . . . . 1 18729 9 >> 318 2 0.797 . 21.25650644300 . . . . . . . . . . 1 18729 9 >> 319 1 1.108 . 35.47430038450 . . . . . . . . . . 1 18729 9 >> 319 2 0.795 . 20.54373423260 . . . . . . . . . . 1 18729 9 >> 320 1 1.116 . 23.36680889130 . . . . . . . . . . 1 18729 9 >> 320 2 0.888 . 11.44657532370 . . . . . . . . . . 1 18729 9 >> 321 1 0.883 . 21.02077007290 . . . . . . . . . . 1 18729 9 >> 321 2 1.119 . 103.37978601500 . . . . . . . . . . 1 18729 9 >> 322 1 0.790 . 21.31819725040 . . . . . . . . . . 1 18729 9 >> 322 2 1.115 . 44.60314909620 . . . . . . . . . . 1 18729 9 >> 323 1 1.126 . 36.86845302580 . . . . . . . . . . 1 18729 9 >> 323 2 1.423 . 39.57798083620 . . . . . . . . . . 1 18729 9 >> 324 1 0.888 . 23.66423606870 . . . . . . . . . . 1 18729 9 >> 324 2 1.421 . 268.30981175100 . . . . . . . . . . 1 18729 9 >> 325 1 0.790 . 20.03788948060 . . . . . . . . . . 1 18729 9 >> 325 2 1.409 . 38.59798113510 . . . . . . . . . . 1 18729 9 >> 326 1 1.119 . 29.05607223510 . . . . . . . . . . 1 18729 9 >> 326 2 1.779 . 15.16093810400 . . . . . . . . . . 1 18729 9 >> 327 1 1.439 . 119.65632438700 . . . . . . . . . . 1 18729 9 >> 327 2 1.784 . 127.37909952800 . . . . . . . . . . 1 18729 9 >> 328 1 1.783 . 167.38653183000 . . . . . . . . . . 1 18729 9 >> 328 2 1.434 . 51.91266536710 . . . . . . . . . . 1 18729 9 >> 329 1 0.835 . 40.68553447720 . . . . . . . . . . 1 18729 9 >> 329 2 2.436 . 14.71738020580 . . . . . . . . . . 1 18729 9 >> 330 1 0.844 . 16.80314540860 . . . . . . . . . . 1 18729 9 >> 330 2 2.672 . 16.22339089710 . . . . . . . . . . 1 18729 9 >> 331 1 0.715 . 16.28994941710 . . . . . . . . . . 1 18729 9 >> 331 2 2.439 . 17.57045586900 . . . . . . . . . . 1 18729 9 >> 332 1 0.694 . 28.46658229830 . . . . . . . . . . 1 18729 9 >> 332 2 2.678 . 20.09719610210 . . . . . . . . . . 1 18729 9 >> 333 1 2.082 . 94.16878223420 . . . . . . . . . . 1 18729 9 >> 333 2 3.856 . 77.83323526380 . . . . . . . . . . 1 18729 9 >> 334 1 2.082 . 124.19402599300 . . . . . . . . . . 1 18729 9 >> 334 2 4.192 . 78.90413204830 . . . . . . . . . . 1 18729 9 >> 335 1 3.193 . 61.14065647130 . . . . . . . . . . 1 18729 9 >> 335 2 1.770 . 31.01179997130 . . . . . . . . . . 1 18729 9 >> 336 1 3.271 . 19.57178115840 . . . . . . . . . . 1 18729 9 >> 336 2 3.186 . 17.69661903380 . . . . . . . . . . 1 18729 9 >> 337 1 3.170 . 22.51982688900 . . . . . . . . . . 1 18729 9 >> 337 2 3.284 . 21.00418011350 . . . . . . . . . . 1 18729 9 >> 338 1 3.194 . 206.70175552400 . . . . . . . . . . 1 18729 9 >> 338 2 2.077 . 17.08964506790 . . . . . . . . . . 1 18729 9 >> 339 1 3.238 . 65.03701210020 . . . . . . . . . . 1 18729 9 >> 339 2 2.006 . 32.08667039870 . . . . . . . . . . 1 18729 9 >> 340 1 3.223 . 50.63176155090 . . . . . . . . . . 1 18729 9 >> 340 2 1.838 . 207.64867464700 . . . . . . . . . . 1 18729 9 >> 341 1 3.220 . 41.93067550660 . . . . . . . . . . 1 18729 9 >> 341 2 1.681 . 63.96770477290 . . . . . . . . . . 1 18729 9 >> 342 1 3.222 . 34.18445587160 . . . . . . . . . . 1 18729 9 >> 342 2 1.639 . 53.51006984710 . . . . . . . . . . 1 18729 9 >> 343 1 1.836 . 280.50541877700 . . . . . . . . . . 1 18729 9 >> 343 2 3.223 . 98.66754213970 . . . . . . . . . . 1 18729 9 >> 344 1 1.683 . 191.72191619900 . . . . . . . . . . 1 18729 9 >> 344 2 3.223 . 50.99823077520 . . . . . . . . . . 1 18729 9 >> 345 1 1.639 . 82.55362510680 . . . . . . . . . . 1 18729 9 >> 345 2 3.221 . 34.82103347780 . . . . . . . . . . 1 18729 9 >> 346 1 3.223 . 97.09715843200 . . . . . . . . . . 1 18729 9 >> 346 2 3.785 . 14.52515522640 . . . . . . . . . . 1 18729 9 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 . 1 . . 9.565 . 1 1 1 7 GLY H . . . . . . 50 . 18729 9 >> 1 2 . 1 . . 9.567 . 1 1 1 7 GLY H . . . . . . 50 . 18729 9 >> 2 1 . 1 . . 9.619 . 1 1 1 30 ARG H . . . . . . 59 . 18729 9 >> 2 2 . 1 . . 9.620 . 1 1 1 30 ARG H . . . . . . 59 . 18729 9 >> 3 1 . 1 . . 10.613 . 1 1 1 24 CYS H . . . . . . 40 . 18729 9 >> 3 2 . 1 . . 10.614 . 1 1 1 24 CYS H . . . . . . 40 . 18729 9 >> 4 1 . 1 . . 9.613 . 1 1 1 30 ARG H . . . . . . 59 . 18729 9 >> 4 2 . 2 . . 2.082 . 1 1 1 30 ARG HB3 . . . . . . 163 . 18729 9 >> 5 1 . 1 . . 9.613 . 1 1 1 30 ARG H . . . . . . 59 . 18729 9 >> 5 2 . 2 . . 1.777 . 1 1 1 30 ARG HB2 . . . . . . 162 . 18729 9 >> 6 1 . 1 . . 9.811 . 1 1 1 19 TRP HE1 . . . . . . 32 . 18729 9 >> 6 2 . 1 . . 9.818 . 1 1 1 19 TRP HE1 . . . . . . 32 . 18729 9 >> 7 1 . 1 . . 6.850 . 1 1 1 27 ASN HD21 . . . . . . 65 . 18729 9 >> 7 2 . 1 . . 7.994 . 1 1 1 27 ASN HD22 . . . . . . 34 . 18729 9 >> 8 1 . 1 . . 7.990 . 1 1 1 27 ASN HD22 . . . . . . 34 . 18729 9 >> 8 2 . 1 . . 6.854 . 1 1 1 27 ASN HD21 . . . . . . 65 . 18729 9 >> 9 1 . 1 . . 6.885 . 1 1 1 19 TRP HD1 . . . . . . 300 . 18729 9 >> 9 2 . 1 . . 6.890 . 1 1 1 19 TRP HD1 . . . . . . 300 . 18729 9 >> 10 1 . 2 . . 1.771 . 1 1 1 30 ARG HB2 . . . . . . 162 . 18729 9 >> 10 2 . 1 . . 9.622 . 1 1 1 30 ARG H . . . . . . 59 . 18729 9 >> 11 1 . 1 . . 9.150 . 1 1 1 23 ARG H . . . . . . 52 . 18729 9 >> 11 2 . 1 . . 9.152 . 1 1 1 23 ARG H . . . . . . 52 . 18729 9 >> 12 1 . 1 . . 9.001 . 1 1 1 5 GLU H . . . . . . 5 . 18729 9 >> 12 1 . 2 . . 9.001 . 1 1 1 29 CYS H . . . . . . 61 . 18729 9 >> 12 2 . 1 . . 8.998 . 1 1 1 5 GLU H . . . . . . 5 . 18729 9 >> 12 2 . 2 . . 8.998 . 1 1 1 29 CYS H . . . . . . 61 . 18729 9 >> 18 1 . 1 . . 9.168 . 1 1 1 23 ARG H . . . . . . 52 . 18729 9 >> 18 2 . 3 . . 1.557 . 1 1 1 23 ARG HG3 . . . . . . 321 . 18729 9 >> 18 2 . 4 . . 1.557 . 1 1 1 23 ARG HG2 . . . . . . 323 . 18729 9 >> 19 1 . 1 . . 8.696 . 1 1 1 6 ASN H . . . . . . 63 . 18729 9 >> 19 1 . 2 . . 8.696 . 1 1 1 31 ASN H . . . . . . 24 . 18729 9 >> 19 2 . 1 . . 2.853 . 1 1 1 6 ASN HB2 . . . . . . 222 . 18729 9 >> 19 2 . 2 . . 2.853 . 1 1 1 31 ASN HB2 . . . . . . 159 . 18729 9 >> 20 1 . 1 . . 8.986 . 1 1 1 5 GLU H . . . . . . 5 . 18729 9 >> 20 2 . 1 . . 4.113 . 1 1 1 5 GLU HA . . . . . . 226 . 18729 9 >> 21 1 . 1 . . 8.805 . 1 1 1 4 VAL H . . . . . . 42 . 18729 9 >> 21 2 . 1 . . 3.988 . 1 1 1 4 VAL HA . . . . . . 228 . 18729 9 >> 22 1 . 1 . . 7.871 . 1 1 1 28 GLU H . . . . . . 22 . 18729 9 >> 22 2 . 1 . . 5.052 . 1 1 1 28 GLU HA . . . . . . 167 . 18729 9 >> 23 1 . 1 . . 7.615 . 1 1 1 6 ASN HD21 . . . . . . 7 . 18729 9 >> 23 2 . 1 . . 7.033 . 1 1 1 6 ASN HD22 . . . . . . 11 . 18729 9 >> 24 1 . 1 . . 7.018 . 1 1 1 31 ASN HD22 . . . . . . 67 . 18729 9 >> 24 2 . 1 . . 7.642 . 1 1 1 31 ASN HD21 . . . . . . 58 . 18729 9 >> 25 1 . 1 . . 7.029 . 1 1 1 6 ASN HD22 . . . . . . 11 . 18729 9 >> 25 2 . 1 . . 7.613 . 1 1 1 6 ASN HD21 . . . . . . 7 . 18729 9 >> 26 1 . 1 . . 7.635 . 1 1 1 31 ASN HD21 . . . . . . 58 . 18729 9 >> 26 2 . 1 . . 7.023 . 1 1 1 31 ASN HD22 . . . . . . 67 . 18729 9 >> 27 1 . 1 . . 6.935 . 1 1 1 10 CYS H . . . . . . 9 . 18729 9 >> 27 2 . 1 . . 4.510 . 1 1 1 10 CYS HA . . . . . . 237 . 18729 9 >> 28 1 . 1 . . 7.452 . 1 1 1 15 LYS H . . . . . . 18 . 18729 9 >> 28 2 . 1 . . 4.422 . 1 1 1 15 LYS HA . . . . . . 204 . 18729 9 >> 29 1 . 1 . . 7.657 . 1 1 1 17 GLY H . . . . . . 20 . 18729 9 >> 29 2 . 1 . . 4.406 . 1 1 1 17 GLY HA3 . . . . . . 157 . 18729 9 >> 30 1 . 1 . . 8.326 . 1 1 1 8 GLY H . . . . . . 28 . 18729 9 >> 30 2 . 1 . . 4.278 . 1 1 1 8 GLY HA2 . . . . . . 218 . 18729 9 >> 31 1 . 1 . . 8.365 . 1 1 1 27 ASN H . . . . . . 1 . 18729 9 >> 31 2 . 1 . . 4.340 . 1 1 1 27 ASN HA . . . . . . 170 . 18729 9 >> 32 1 . 1 . . 8.322 . 1 1 1 8 GLY H . . . . . . 28 . 18729 9 >> 32 2 . 1 . . 3.567 . 1 1 1 8 GLY HA3 . . . . . . 217 . 18729 9 >> 33 1 . 1 . . 8.412 . 1 1 1 32 GLY H . . . . . . 44 . 18729 9 >> 33 2 . 1 . . 3.774 . 1 1 1 32 GLY HA2 . . . . . . 241 . 18729 9 >> 34 1 . 1 . . 8.411 . 1 1 1 32 GLY H . . . . . . 44 . 18729 9 >> 34 2 . 1 . . 3.545 . 1 1 1 32 GLY HA3 . . . . . . 242 . 18729 9 >> 35 1 . 1 . . 8.692 . 1 1 1 31 ASN H . . . . . . 24 . 18729 9 >> 35 2 . 1 . . 4.567 . 1 1 1 31 ASN HA . . . . . . 158 . 18729 9 >> 36 1 . 1 . . 8.770 . 1 1 1 25 ILE H . . . . . . 12 . 18729 9 >> 36 2 . 1 . . 4.295 . 1 1 1 25 ILE HA . . . . . . 177 . 18729 9 >> 37 1 . 1 . . 9.562 . 1 1 1 7 GLY H . . . . . . 50 . 18729 9 >> 37 2 . 1 . . 4.500 . 1 1 1 7 GLY HA2 . . . . . . 220 . 18729 9 >> 38 1 . 1 . . 9.254 . 1 1 1 21 CYS H . . . . . . 3 . 18729 9 >> 38 2 . 1 . . 4.563 . 1 1 1 21 CYS HA . . . . . . 189 . 18729 9 >> 39 1 . 1 . . 9.609 . 1 1 1 30 ARG H . . . . . . 59 . 18729 9 >> 39 2 . 1 . . 4.780 . 1 1 1 30 ARG HA . . . . . . 161 . 18729 9 >> 40 1 . 1 . . 8.875 . 1 1 1 22 GLY H . . . . . . 16 . 18729 9 >> 40 2 . 1 . . 4.246 . 1 1 1 22 GLY HA3 . . . . . . 186 . 18729 9 >> 41 1 . 1 . . 8.881 . 1 1 1 22 GLY H . . . . . . 16 . 18729 9 >> 41 2 . 1 . . 3.821 . 1 1 1 22 GLY HA2 . . . . . . 185 . 18729 9 >> 42 1 . 1 . . 9.564 . 1 1 1 7 GLY H . . . . . . 50 . 18729 9 >> 42 2 . 1 . . 3.841 . 1 1 1 7 GLY HA3 . . . . . . 219 . 18729 9 >> 43 1 . 1 . . 9.268 . 1 1 1 26 ARG H . . . . . . 26 . 18729 9 >> 43 2 . 1 . . 3.783 . 1 1 1 26 ARG HA . . . . . . 173 . 18729 9 >> 44 1 . 1 . . 7.871 . 1 1 1 28 GLU H . . . . . . 22 . 18729 9 >> 44 2 . 1 . . 1.923 . 1 1 1 28 GLU HB3 . . . . . . 168 . 18729 9 >> 44 2 . 2 . . 1.923 . 1 1 1 28 GLU HB2 . . . . . . 169 . 18729 9 >> 45 1 . 1 . . 7.872 . 1 1 1 28 GLU H . . . . . . 22 . 18729 9 >> 45 2 . 1 . . 2.172 . 1 1 1 28 GLU HG3 . . . . . . 272 . 18729 9 >> 45 2 . 2 . . 2.172 . 1 1 1 28 GLU HG2 . . . . . . 273 . 18729 9 >> 46 1 . 1 . . 8.738 . 1 1 1 14 GLU H . . . . . . 48 . 18729 9 >> 46 2 . 1 . . 2.089 . 1 1 1 14 GLU HB2 . . . . . . 207 . 18729 9 >> 46 2 . 2 . . 2.089 . 1 1 1 14 GLU HB3 . . . . . . 206 . 18729 9 >> 47 1 . 1 . . 2.309 . 1 1 1 2 GLU HG3 . . . . . . 246 . 18729 9 >> 47 1 . 2 . . 2.309 . 1 1 1 2 GLU HG2 . . . . . . 245 . 18729 9 >> 47 2 . 1 . . 4.473 . 1 1 1 2 GLU HA . . . . . . 234 . 18729 9 >> 48 1 . 1 . . 2.127 . 1 1 1 2 GLU HB3 . . . . . . 233 . 18729 9 >> 48 2 . 1 . . 4.470 . 1 1 1 2 GLU HA . . . . . . 234 . 18729 9 >> 49 1 . 1 . . 1.924 . 1 1 1 2 GLU HB2 . . . . . . 232 . 18729 9 >> 49 2 . 1 . . 4.479 . 1 1 1 2 GLU HA . . . . . . 234 . 18729 9 >> 50 1 . 1 . . 2.151 . 1 1 1 2 GLU HB3 . . . . . . 233 . 18729 9 >> 50 2 . 2 . . 2.325 . 1 1 1 2 GLU HG3 . . . . . . 246 . 18729 9 >> 50 2 . 3 . . 2.325 . 1 1 1 2 GLU HG2 . . . . . . 245 . 18729 9 >> 51 1 . 1 . . 1.935 . 1 1 1 2 GLU HB2 . . . . . . 232 . 18729 9 >> 51 2 . 1 . . 2.327 . 1 1 1 2 GLU HG3 . . . . . . 246 . 18729 9 >> 51 2 . 2 . . 2.327 . 1 1 1 2 GLU HG2 . . . . . . 245 . 18729 9 >> 52 1 . 1 . . 1.937 . 1 1 1 2 GLU HB2 . . . . . . 232 . 18729 9 >> 52 2 . 1 . . 2.152 . 1 1 1 2 GLU HB3 . . . . . . 233 . 18729 9 >> 53 1 . 1 . . 2.323 . 1 1 1 2 GLU HG3 . . . . . . 246 . 18729 9 >> 53 1 . 2 . . 2.323 . 1 1 1 2 GLU HG2 . . . . . . 245 . 18729 9 >> 53 2 . 1 . . 1.940 . 1 1 1 2 GLU HB2 . . . . . . 232 . 18729 9 >> 54 1 . 1 . . 2.151 . 1 1 1 2 GLU HB3 . . . . . . 233 . 18729 9 >> 54 2 . 1 . . 1.938 . 1 1 1 2 GLU HB2 . . . . . . 232 . 18729 9 >> 55 1 . 1 . . 2.168 . 1 1 1 28 GLU HG3 . . . . . . 272 . 18729 9 >> 55 1 . 2 . . 2.168 . 1 1 1 28 GLU HG2 . . . . . . 273 . 18729 9 >> 55 2 . 1 . . 7.876 . 1 1 1 28 GLU H . . . . . . 22 . 18729 9 >> 56 1 . 1 . . 8.256 . 1 1 1 3 CYS H . . . . . . 54 . 18729 9 >> 56 2 . 1 . . 3.142 . 1 1 1 3 CYS HB2 . . . . . . 230 . 18729 9 >> 57 1 . 1 . . 8.252 . 1 1 1 3 CYS H . . . . . . 54 . 18729 9 >> 57 2 . 1 . . 3.055 . 1 1 1 3 CYS HB3 . . . . . . 229 . 18729 9 >> 58 1 . 1 . . 8.256 . 1 1 1 3 CYS H . . . . . . 54 . 18729 9 >> 58 2 . 1 . . 4.834 . 1 1 1 3 CYS HA . . . . . . 231 . 18729 9 >> 59 1 . 1 . . 3.055 . 1 1 1 3 CYS HB3 . . . . . . 229 . 18729 9 >> 59 2 . 1 . . 8.259 . 1 1 1 3 CYS H . . . . . . 54 . 18729 9 >> 60 1 . 1 . . 3.121 . 1 1 1 3 CYS HB2 . . . . . . 230 . 18729 9 >> 60 2 . 1 . . 8.259 . 1 1 1 3 CYS H . . . . . . 54 . 18729 9 >> 61 1 . 1 . . 0.969 . 1 1 1 4 VAL MG1 . . . . . . 247 . 18729 9 >> 61 2 . 1 . . 8.809 . 1 1 1 4 VAL H . . . . . . 42 . 18729 9 >> 62 1 . 1 . . 0.972 . 1 1 1 4 VAL MG1 . . . . . . 247 . 18729 9 >> 62 2 . 1 . . 2.160 . 1 1 1 4 VAL HB . . . . . . 227 . 18729 9 >> 63 1 . 1 . . 2.140 . 1 1 1 4 VAL HB . . . . . . 227 . 18729 9 >> 63 2 . 1 . . 0.980 . 1 1 1 4 VAL MG1 . . . . . . 247 . 18729 9 >> 64 1 . 1 . . 2.140 . 1 1 1 4 VAL HB . . . . . . 227 . 18729 9 >> 64 2 . 1 . . 1.193 . 1 1 1 4 VAL MG2 . . . . . . 248 . 18729 9 >> 65 1 . 1 . . 0.973 . 1 1 1 4 VAL MG1 . . . . . . 247 . 18729 9 >> 65 2 . 1 . . 1.207 . 1 1 1 4 VAL MG2 . . . . . . 248 . 18729 9 >> 66 1 . 1 . . 2.149 . 1 1 1 4 VAL HB . . . . . . 227 . 18729 9 >> 66 2 . 1 . . 2.154 . 1 1 1 4 VAL HB . . . . . . 227 . 18729 9 >> 67 1 . 1 . . 0.979 . 1 1 1 4 VAL MG1 . . . . . . 247 . 18729 9 >> 67 2 . 1 . . 0.975 . 1 1 1 4 VAL MG1 . . . . . . 247 . 18729 9 >> 68 1 . 1 . . 3.973 . 1 1 1 4 VAL HA . . . . . . 228 . 18729 9 >> 68 2 . 1 . . 0.981 . 1 1 1 4 VAL MG1 . . . . . . 247 . 18729 9 >> 69 1 . 1 . . 3.965 . 1 1 1 4 VAL HA . . . . . . 228 . 18729 9 >> 69 2 . 1 . . 1.199 . 1 1 1 4 VAL MG2 . . . . . . 248 . 18729 9 >> 70 1 . 1 . . 8.808 . 1 1 1 4 VAL H . . . . . . 42 . 18729 9 >> 70 2 . 1 . . 0.981 . 1 1 1 4 VAL MG1 . . . . . . 247 . 18729 9 >> 71 1 . 1 . . 8.806 . 1 1 1 4 VAL H . . . . . . 42 . 18729 9 >> 71 2 . 1 . . 1.201 . 1 1 1 4 VAL MG2 . . . . . . 248 . 18729 9 >> 72 1 . 1 . . 2.350 . 1 1 1 5 GLU HG3 . . . . . . 249 . 18729 9 >> 72 2 . 1 . . 8.994 . 1 1 1 5 GLU H . . . . . . 5 . 18729 9 >> 73 1 . 1 . . 2.223 . 1 1 1 5 GLU HB3 . . . . . . 225 . 18729 9 >> 73 2 . 1 . . 8.995 . 1 1 1 5 GLU H . . . . . . 5 . 18729 9 >> 74 1 . 1 . . 2.358 . 1 1 1 5 GLU HG3 . . . . . . 249 . 18729 9 >> 74 1 . 2 . . 2.358 . 1 1 1 14 GLU HG2 . . . . . . 256 . 18729 9 >> 74 2 . 1 . . 4.103 . 1 1 1 5 GLU HA . . . . . . 226 . 18729 9 >> 74 2 . 2 . . 4.103 . 1 1 1 14 GLU HA . . . . . . 205 . 18729 9 >> 75 1 . 1 . . 2.217 . 1 1 1 5 GLU HB3 . . . . . . 225 . 18729 9 >> 75 2 . 1 . . 4.108 . 1 1 1 5 GLU HA . . . . . . 226 . 18729 9 >> 76 1 . 1 . . 2.047 . 1 1 1 5 GLU HB2 . . . . . . 224 . 18729 9 >> 76 2 . 1 . . 4.103 . 1 1 1 5 GLU HA . . . . . . 226 . 18729 9 >> 77 1 . 1 . . 2.367 . 1 1 1 5 GLU HG3 . . . . . . 249 . 18729 9 >> 77 2 . 1 . . 2.045 . 1 1 1 5 GLU HB2 . . . . . . 224 . 18729 9 >> 78 1 . 1 . . 2.217 . 1 1 1 5 GLU HB3 . . . . . . 225 . 18729 9 >> 78 2 . 1 . . 2.048 . 1 1 1 5 GLU HB2 . . . . . . 224 . 18729 9 >> 79 1 . 1 . . 2.045 . 1 1 1 5 GLU HB2 . . . . . . 224 . 18729 9 >> 79 2 . 1 . . 2.215 . 1 1 1 5 GLU HB3 . . . . . . 225 . 18729 9 >> 80 1 . 1 . . 2.045 . 1 1 1 5 GLU HB2 . . . . . . 224 . 18729 9 >> 80 2 . 1 . . 2.371 . 1 1 1 14 GLU HG2 . . . . . . 256 . 18729 9 >> 81 1 . 1 . . 2.042 . 1 1 1 5 GLU HB2 . . . . . . 224 . 18729 9 >> 81 2 . 1 . . 2.447 . 1 1 1 5 GLU HG2 . . . . . . 250 . 18729 9 >> 82 1 . 1 . . 2.220 . 1 1 1 5 GLU HB3 . . . . . . 225 . 18729 9 >> 82 2 . 1 . . 2.445 . 1 1 1 5 GLU HG2 . . . . . . 250 . 18729 9 >> 83 1 . 1 . . 2.217 . 1 1 1 5 GLU HB3 . . . . . . 225 . 18729 9 >> 83 2 . 1 . . 2.364 . 1 1 1 5 GLU HG3 . . . . . . 249 . 18729 9 >> 84 1 . 1 . . 8.986 . 1 1 1 5 GLU H . . . . . . 5 . 18729 9 >> 84 2 . 1 . . 2.025 . 1 1 1 5 GLU HB2 . . . . . . 224 . 18729 9 >> 85 1 . 1 . . 9.002 . 1 1 1 5 GLU H . . . . . . 5 . 18729 9 >> 85 2 . 1 . . 2.240 . 1 1 1 5 GLU HB3 . . . . . . 225 . 18729 9 >> 86 1 . 1 . . 8.993 . 1 1 1 5 GLU H . . . . . . 5 . 18729 9 >> 87 1 . 1 . . 8.426 . 1 1 1 9 PHE H . . . . . . 36 . 18729 9 >> 87 2 . 1 . . 3.384 . 1 1 1 9 PHE HB2 . . . . . . 215 . 18729 9 >> 88 1 . 1 . . 8.428 . 1 1 1 9 PHE H . . . . . . 36 . 18729 9 >> 88 2 . 1 . . 4.722 . 1 1 1 9 PHE HA . . . . . . 216 . 18729 9 >> 89 1 . 1 . . 8.429 . 1 1 1 9 PHE H . . . . . . 36 . 18729 9 >> 89 2 . 1 . . 2.858 . 1 1 1 9 PHE HB3 . . . . . . 214 . 18729 9 >> 90 1 . 1 . . 2.843 . 1 1 1 9 PHE HB3 . . . . . . 214 . 18729 9 >> 90 2 . 1 . . 3.378 . 1 1 1 9 PHE HB2 . . . . . . 215 . 18729 9 >> 91 1 . 1 . . 3.381 . 1 1 1 9 PHE HB2 . . . . . . 215 . 18729 9 >> 91 2 . 1 . . 2.856 . 1 1 1 9 PHE HB3 . . . . . . 214 . 18729 9 >> 92 1 . 1 . . 2.936 . 1 1 1 10 CYS HB3 . . . . . . 239 . 18729 9 >> 92 2 . 1 . . 3.050 . 1 1 1 10 CYS HB2 . . . . . . 238 . 18729 9 >> 93 1 . 1 . . 3.035 . 1 1 1 10 CYS HB2 . . . . . . 238 . 18729 9 >> 93 2 . 1 . . 2.925 . 1 1 1 10 CYS HB3 . . . . . . 239 . 18729 9 >> 94 1 . 1 . . 3.027 . 1 1 1 10 CYS HB2 . . . . . . 238 . 18729 9 >> 94 2 . 1 . . 4.516 . 1 1 1 10 CYS HA . . . . . . 237 . 18729 9 >> 95 1 . 1 . . 2.935 . 1 1 1 10 CYS HB3 . . . . . . 239 . 18729 9 >> 95 2 . 1 . . 4.512 . 1 1 1 10 CYS HA . . . . . . 237 . 18729 9 >> 96 1 . 1 . . 3.036 . 1 1 1 10 CYS HB2 . . . . . . 238 . 18729 9 >> 96 2 . 1 . . 6.939 . 1 1 1 10 CYS H . . . . . . 9 . 18729 9 >> 97 1 . 1 . . 2.925 . 1 1 1 10 CYS HB3 . . . . . . 239 . 18729 9 >> 97 2 . 1 . . 6.941 . 1 1 1 10 CYS H . . . . . . 9 . 18729 9 >> 98 1 . 1 . . 6.935 . 1 1 1 10 CYS H . . . . . . 9 . 18729 9 >> 98 2 . 1 . . 3.029 . 1 1 1 10 CYS HB2 . . . . . . 238 . 18729 9 >> 99 1 . 1 . . 6.932 . 1 1 1 10 CYS H . . . . . . 9 . 18729 9 >> 99 2 . 1 . . 2.949 . 1 1 1 10 CYS HB3 . . . . . . 239 . 18729 9 >> 100 1 . 1 . . 0.792 . 1 1 1 11 PRO HG2 . . . . . . 285 . 18729 9 >> 100 2 . 1 . . 0.691 . 1 1 1 11 PRO HG3 . . . . . . 284 . 18729 9 >> 101 1 . 1 . . 0.717 . 1 1 1 11 PRO HG3 . . . . . . 284 . 18729 9 >> 101 2 . 1 . . 0.809 . 1 1 1 11 PRO HG2 . . . . . . 285 . 18729 9 >> 102 1 . 1 . . 1.675 . 1 1 1 11 PRO HB2 . . . . . . 211 . 18729 9 >> 102 2 . 1 . . 0.828 . 1 1 1 11 PRO HG2 . . . . . . 285 . 18729 9 >> 103 1 . 1 . . 1.683 . 1 1 1 11 PRO HB2 . . . . . . 211 . 18729 9 >> 103 2 . 1 . . 0.726 . 1 1 1 11 PRO HG3 . . . . . . 284 . 18729 9 >> 104 1 . 1 . . 1.953 . 1 1 1 11 PRO HB3 . . . . . . 212 . 18729 9 >> 104 2 . 1 . . 0.720 . 1 1 1 11 PRO HG3 . . . . . . 284 . 18729 9 >> 105 1 . 1 . . 1.687 . 1 1 1 11 PRO HB2 . . . . . . 211 . 18729 9 >> 105 2 . 1 . . 1.949 . 1 1 1 11 PRO HB3 . . . . . . 212 . 18729 9 >> 106 1 . 1 . . 1.951 . 1 1 1 11 PRO HB3 . . . . . . 212 . 18729 9 >> 106 2 . 1 . . 1.681 . 1 1 1 11 PRO HB2 . . . . . . 211 . 18729 9 >> 107 1 . 1 . . 1.950 . 1 1 1 11 PRO HB3 . . . . . . 212 . 18729 9 >> 107 2 . 1 . . 2.420 . 1 1 1 11 PRO HD2 . . . . . . 281 . 18729 9 >> 108 1 . 1 . . 1.665 . 1 1 1 11 PRO HB2 . . . . . . 211 . 18729 9 >> 108 2 . 1 . . 2.415 . 1 1 1 11 PRO HD2 . . . . . . 281 . 18729 9 >> 109 1 . 1 . . 0.701 . 1 1 1 11 PRO HG3 . . . . . . 284 . 18729 9 >> 109 2 . 1 . . 4.080 . 1 1 1 11 PRO HA . . . . . . 213 . 18729 9 >> 110 1 . 1 . . 0.830 . 1 1 1 11 PRO HG2 . . . . . . 285 . 18729 9 >> 110 2 . 1 . . 4.085 . 1 1 1 11 PRO HA . . . . . . 213 . 18729 9 >> 111 1 . 1 . . 1.661 . 1 1 1 11 PRO HB2 . . . . . . 211 . 18729 9 >> 111 2 . 1 . . 4.086 . 1 1 1 11 PRO HA . . . . . . 213 . 18729 9 >> 112 1 . 1 . . 1.942 . 1 1 1 11 PRO HB3 . . . . . . 212 . 18729 9 >> 112 2 . 1 . . 4.077 . 1 1 1 11 PRO HA . . . . . . 213 . 18729 9 >> 113 1 . 1 . . 2.658 . 1 1 1 11 PRO HD3 . . . . . . 282 . 18729 9 >> 113 2 . 1 . . 4.082 . 1 1 1 11 PRO HA . . . . . . 213 . 18729 9 >> 114 1 . 1 . . 8.117 . 1 1 1 12 ASP H . . . . . . 14 . 18729 9 >> 114 2 . 1 . . 4.411 . 1 1 1 12 ASP HA . . . . . . 240 . 18729 9 >> 115 1 . 1 . . 2.776 . 1 1 1 12 ASP HB3 . . . . . . 301 . 18729 9 >> 115 2 . 1 . . 2.584 . 1 1 1 12 ASP HB2 . . . . . . 302 . 18729 9 >> 116 1 . 1 . . 2.561 . 1 1 1 12 ASP HB2 . . . . . . 302 . 18729 9 >> 116 2 . 1 . . 2.780 . 1 1 1 12 ASP HB3 . . . . . . 301 . 18729 9 >> 117 1 . 1 . . 2.767 . 1 1 1 12 ASP HB3 . . . . . . 301 . 18729 9 >> 117 2 . 1 . . 4.410 . 1 1 1 12 ASP HA . . . . . . 240 . 18729 9 >> 118 1 . 1 . . 2.566 . 1 1 1 12 ASP HB2 . . . . . . 302 . 18729 9 >> 118 2 . 1 . . 4.407 . 1 1 1 12 ASP HA . . . . . . 240 . 18729 9 >> 119 1 . 1 . . 1.978 . 1 1 1 13 PRO HG3 . . . . . . 254 . 18729 9 >> 119 2 . 1 . . 3.862 . 1 1 1 13 PRO HD2 . . . . . . 252 . 18729 9 >> 119 2 . 2 . . 3.862 . 1 1 1 13 PRO HD3 . . . . . . 251 . 18729 9 >> 120 1 . 1 . . 2.033 . 1 1 1 13 PRO HB3 . . . . . . 209 . 18729 9 >> 120 1 . 2 . . 2.033 . 1 1 1 13 PRO HB2 . . . . . . 210 . 18729 9 >> 120 2 . 1 . . 3.865 . 1 1 1 13 PRO HD2 . . . . . . 252 . 18729 9 >> 120 2 . 2 . . 3.865 . 1 1 1 13 PRO HD3 . . . . . . 251 . 18729 9 >> 121 1 . 1 . . 2.032 . 1 1 1 13 PRO HB2 . . . . . . 210 . 18729 9 >> 121 1 . 2 . . 2.032 . 1 1 1 13 PRO HB3 . . . . . . 209 . 18729 9 >> 121 2 . 1 . . 4.202 . 1 1 1 13 PRO HA . . . . . . 208 . 18729 9 >> 122 1 . 1 . . 1.983 . 1 1 1 13 PRO HG3 . . . . . . 254 . 18729 9 >> 122 2 . 1 . . 4.200 . 1 1 1 13 PRO HA . . . . . . 208 . 18729 9 >> 123 1 . 1 . . 3.857 . 1 1 1 13 PRO HD2 . . . . . . 252 . 18729 9 >> 123 1 . 2 . . 3.857 . 1 1 1 13 PRO HD3 . . . . . . 251 . 18729 9 >> 123 2 . 1 . . 2.072 . 1 1 1 13 PRO HB2 . . . . . . 210 . 18729 9 >> 123 2 . 2 . . 2.072 . 1 1 1 13 PRO HB3 . . . . . . 209 . 18729 9 >> 124 1 . 1 . . 3.860 . 1 1 1 13 PRO HD2 . . . . . . 252 . 18729 9 >> 124 1 . 2 . . 3.860 . 1 1 1 13 PRO HD3 . . . . . . 251 . 18729 9 >> 124 2 . 1 . . 1.983 . 1 1 1 13 PRO HG3 . . . . . . 254 . 18729 9 >> 125 1 . 1 . . 4.188 . 1 1 1 13 PRO HA . . . . . . 208 . 18729 9 >> 125 2 . 1 . . 1.978 . 1 1 1 13 PRO HG3 . . . . . . 254 . 18729 9 >> 126 1 . 1 . . 2.262 . 1 1 1 14 GLU HG3 . . . . . . 255 . 18729 9 >> 126 2 . 1 . . 4.111 . 1 1 1 14 GLU HA . . . . . . 205 . 18729 9 >> 127 1 . 1 . . 2.077 . 1 1 1 14 GLU HB2 . . . . . . 207 . 18729 9 >> 127 1 . 2 . . 2.077 . 1 1 1 14 GLU HB3 . . . . . . 206 . 18729 9 >> 127 2 . 1 . . 4.105 . 1 1 1 14 GLU HA . . . . . . 205 . 18729 9 >> 128 1 . 1 . . 2.092 . 1 1 1 14 GLU HB2 . . . . . . 207 . 18729 9 >> 128 1 . 2 . . 2.092 . 1 1 1 14 GLU HB3 . . . . . . 206 . 18729 9 >> 128 2 . 1 . . 2.370 . 1 1 1 14 GLU HG2 . . . . . . 256 . 18729 9 >> 129 1 . 1 . . 2.268 . 1 1 1 14 GLU HG3 . . . . . . 255 . 18729 9 >> 129 2 . 1 . . 2.368 . 1 1 1 14 GLU HG2 . . . . . . 256 . 18729 9 >> 130 1 . 1 . . 2.367 . 1 1 1 14 GLU HG2 . . . . . . 256 . 18729 9 >> 130 2 . 1 . . 2.266 . 1 1 1 14 GLU HG3 . . . . . . 255 . 18729 9 >> 131 1 . 1 . . 2.372 . 1 1 1 14 GLU HG2 . . . . . . 256 . 18729 9 >> 131 2 . 1 . . 2.092 . 1 1 1 14 GLU HB2 . . . . . . 207 . 18729 9 >> 131 2 . 2 . . 2.092 . 1 1 1 14 GLU HB3 . . . . . . 206 . 18729 9 >> 132 1 . 1 . . 2.265 . 1 1 1 14 GLU HG3 . . . . . . 255 . 18729 9 >> 132 2 . 1 . . 2.093 . 1 1 1 14 GLU HB2 . . . . . . 207 . 18729 9 >> 132 2 . 2 . . 2.093 . 1 1 1 14 GLU HB3 . . . . . . 206 . 18729 9 >> 133 1 . 1 . . 2.090 . 1 1 1 14 GLU HB2 . . . . . . 207 . 18729 9 >> 133 1 . 2 . . 2.090 . 1 1 1 14 GLU HB3 . . . . . . 206 . 18729 9 >> 133 2 . 1 . . 2.268 . 1 1 1 14 GLU HG3 . . . . . . 255 . 18729 9 >> 134 1 . 1 . . 8.739 . 1 1 1 14 GLU H . . . . . . 48 . 18729 9 >> 134 2 . 1 . . 2.280 . 1 1 1 14 GLU HG3 . . . . . . 255 . 18729 9 >> 135 1 . 1 . . 8.738 . 1 1 1 14 GLU H . . . . . . 48 . 18729 9 >> 135 2 . 1 . . 2.364 . 1 1 1 14 GLU HG2 . . . . . . 256 . 18729 9 >> 136 1 . 1 . . 8.735 . 1 1 1 14 GLU H . . . . . . 48 . 18729 9 >> 136 2 . 1 . . 4.104 . 1 1 1 14 GLU HA . . . . . . 205 . 18729 9 >> 137 1 . 1 . . 2.083 . 1 1 1 14 GLU HB2 . . . . . . 207 . 18729 9 >> 137 1 . 2 . . 2.083 . 1 1 1 14 GLU HB3 . . . . . . 206 . 18729 9 >> 137 2 . 1 . . 8.743 . 1 1 1 14 GLU H . . . . . . 48 . 18729 9 >> 138 1 . 1 . . 2.282 . 1 1 1 14 GLU HG3 . . . . . . 255 . 18729 9 >> 138 2 . 1 . . 8.746 . 1 1 1 14 GLU H . . . . . . 48 . 18729 9 >> 139 1 . 1 . . 2.370 . 1 1 1 14 GLU HG2 . . . . . . 256 . 18729 9 >> 139 2 . 1 . . 8.742 . 1 1 1 14 GLU H . . . . . . 48 . 18729 9 >> 140 1 . 1 . . 1.908 . 1 1 1 15 LYS HB3 . . . . . . 203 . 18729 9 >> 140 2 . 1 . . 4.419 . 1 1 1 15 LYS HA . . . . . . 204 . 18729 9 >> 141 1 . 1 . . 1.791 . 1 1 1 15 LYS HB2 . . . . . . 202 . 18729 9 >> 141 2 . 1 . . 4.419 . 1 1 1 15 LYS HA . . . . . . 204 . 18729 9 >> 142 1 . 1 . . 1.697 . 1 1 1 15 LYS HD2 . . . . . . 262 . 18729 9 >> 142 1 . 2 . . 1.697 . 1 1 1 15 LYS HD3 . . . . . . 261 . 18729 9 >> 142 2 . 1 . . 4.413 . 1 1 1 15 LYS HA . . . . . . 204 . 18729 9 >> 143 1 . 1 . . 3.029 . 1 1 1 15 LYS HE2 . . . . . . 257 . 18729 9 >> 143 1 . 2 . . 3.029 . 1 1 1 15 LYS HE3 . . . . . . 258 . 18729 9 >> 143 2 . 1 . . 4.422 . 1 1 1 15 LYS HA . . . . . . 204 . 18729 9 >> 144 1 . 1 . . 1.909 . 1 1 1 15 LYS HB3 . . . . . . 203 . 18729 9 >> 144 2 . 1 . . 3.046 . 1 1 1 15 LYS HE2 . . . . . . 257 . 18729 9 >> 144 2 . 2 . . 3.046 . 1 1 1 15 LYS HE3 . . . . . . 258 . 18729 9 >> 145 1 . 1 . . 1.728 . 1 1 1 15 LYS HD2 . . . . . . 262 . 18729 9 >> 145 1 . 2 . . 1.728 . 1 1 1 15 LYS HD3 . . . . . . 261 . 18729 9 >> 145 2 . 1 . . 3.046 . 1 1 1 15 LYS HE2 . . . . . . 257 . 18729 9 >> 145 2 . 2 . . 3.046 . 1 1 1 15 LYS HE3 . . . . . . 258 . 18729 9 >> 146 1 . 1 . . 1.516 . 1 1 1 15 LYS HG3 . . . . . . 260 . 18729 9 >> 146 2 . 1 . . 3.041 . 1 1 1 15 LYS HE3 . . . . . . 258 . 18729 9 >> 146 2 . 2 . . 3.041 . 1 1 1 15 LYS HE2 . . . . . . 257 . 18729 9 >> 147 1 . 1 . . 1.515 . 1 1 1 15 LYS HG3 . . . . . . 260 . 18729 9 >> 147 2 . 1 . . 1.918 . 1 1 1 15 LYS HB3 . . . . . . 203 . 18729 9 >> 148 1 . 1 . . 1.513 . 1 1 1 15 LYS HG3 . . . . . . 260 . 18729 9 >> 148 2 . 1 . . 1.735 . 1 1 1 15 LYS HD2 . . . . . . 262 . 18729 9 >> 148 2 . 2 . . 1.735 . 1 1 1 15 LYS HD3 . . . . . . 261 . 18729 9 >> 149 1 . 1 . . 1.737 . 1 1 1 15 LYS HD2 . . . . . . 262 . 18729 9 >> 149 1 . 2 . . 1.737 . 1 1 1 15 LYS HD3 . . . . . . 261 . 18729 9 >> 149 2 . 1 . . 1.903 . 1 1 1 15 LYS HB3 . . . . . . 203 . 18729 9 >> 150 1 . 1 . . 1.907 . 1 1 1 15 LYS HB3 . . . . . . 203 . 18729 9 >> 150 2 . 1 . . 1.738 . 1 1 1 15 LYS HD2 . . . . . . 262 . 18729 9 >> 150 2 . 2 . . 1.738 . 1 1 1 15 LYS HD3 . . . . . . 261 . 18729 9 >> 151 1 . 1 . . 1.912 . 1 1 1 15 LYS HB3 . . . . . . 203 . 18729 9 >> 151 2 . 1 . . 1.516 . 1 1 1 15 LYS HG3 . . . . . . 260 . 18729 9 >> 152 1 . 1 . . 1.729 . 1 1 1 15 LYS HD2 . . . . . . 262 . 18729 9 >> 152 1 . 2 . . 1.729 . 1 1 1 15 LYS HD3 . . . . . . 261 . 18729 9 >> 152 2 . 1 . . 1.514 . 1 1 1 15 LYS HG3 . . . . . . 260 . 18729 9 >> 153 1 . 1 . . 1.824 . 1 1 1 15 LYS HB2 . . . . . . 202 . 18729 9 >> 153 2 . 1 . . 1.734 . 1 1 1 15 LYS HD3 . . . . . . 261 . 18729 9 >> 153 2 . 2 . . 1.734 . 1 1 1 15 LYS HD2 . . . . . . 262 . 18729 9 >> 154 1 . 1 . . 1.733 . 1 1 1 15 LYS HD2 . . . . . . 262 . 18729 9 >> 154 1 . 3 . . 1.733 . 1 1 1 15 LYS HD3 . . . . . . 261 . 18729 9 >> 154 2 . 1 . . 1.824 . 1 1 1 15 LYS HB2 . . . . . . 202 . 18729 9 >> 155 1 . 1 . . 1.829 . 1 1 1 15 LYS HB2 . . . . . . 202 . 18729 9 >> 155 2 . 1 . . 1.907 . 1 1 1 15 LYS HB3 . . . . . . 203 . 18729 9 >> 156 1 . 1 . . 1.909 . 1 1 1 15 LYS HB3 . . . . . . 203 . 18729 9 >> 156 2 . 1 . . 1.825 . 1 1 1 15 LYS HB2 . . . . . . 202 . 18729 9 >> 157 1 . 2 . . 1.425 . 1 1 1 15 LYS HG2 . . . . . . 259 . 18729 9 >> 157 2 . 1 . . 1.824 . 1 1 1 15 LYS HB2 . . . . . . 202 . 18729 9 >> 158 1 . 1 . . 3.036 . 1 1 1 15 LYS HE2 . . . . . . 257 . 18729 9 >> 158 1 . 2 . . 3.036 . 1 1 1 15 LYS HE3 . . . . . . 258 . 18729 9 >> 158 2 . 1 . . 1.517 . 1 1 1 15 LYS HG3 . . . . . . 260 . 18729 9 >> 159 1 . 1 . . 3.036 . 1 1 1 15 LYS HE3 . . . . . . 258 . 18729 9 >> 159 1 . 2 . . 3.036 . 1 1 1 15 LYS HE2 . . . . . . 257 . 18729 9 >> 159 2 . 1 . . 1.740 . 1 1 1 15 LYS HD2 . . . . . . 262 . 18729 9 >> 159 2 . 2 . . 1.740 . 1 1 1 15 LYS HD3 . . . . . . 261 . 18729 9 >> 160 1 . 1 . . 3.034 . 1 1 1 15 LYS HE3 . . . . . . 258 . 18729 9 >> 160 1 . 2 . . 3.034 . 1 1 1 15 LYS HE2 . . . . . . 257 . 18729 9 >> 160 2 . 1 . . 1.846 . 1 1 1 15 LYS HB2 . . . . . . 202 . 18729 9 >> 161 1 . 1 . . 3.039 . 1 1 1 15 LYS HE3 . . . . . . 258 . 18729 9 >> 161 1 . 2 . . 3.039 . 1 1 1 15 LYS HE2 . . . . . . 257 . 18729 9 >> 161 2 . 1 . . 1.925 . 1 1 1 15 LYS HB3 . . . . . . 203 . 18729 9 >> 162 1 . 1 . . 7.463 . 1 1 1 15 LYS H . . . . . . 18 . 18729 9 >> 162 2 . 1 . . 1.519 . 1 1 1 15 LYS HG3 . . . . . . 260 . 18729 9 >> 163 1 . 1 . . 7.446 . 1 1 1 15 LYS H . . . . . . 18 . 18729 9 >> 163 2 . 1 . . 1.910 . 1 1 1 15 LYS HB3 . . . . . . 203 . 18729 9 >> 164 1 . 1 . . 7.455 . 1 1 1 15 LYS H . . . . . . 18 . 18729 9 >> 164 2 . 1 . . 1.815 . 1 1 1 15 LYS HB2 . . . . . . 202 . 18729 9 >> 165 1 . 1 . . 7.447 . 1 1 1 15 LYS H . . . . . . 18 . 18729 9 >> 165 2 . 1 . . 1.723 . 1 1 1 15 LYS HD2 . . . . . . 262 . 18729 9 >> 165 2 . 2 . . 1.723 . 1 1 1 15 LYS HD3 . . . . . . 261 . 18729 9 >> 166 1 . 1 . . 7.450 . 1 1 1 15 LYS H . . . . . . 18 . 18729 9 >> 166 2 . 1 . . 3.038 . 1 1 1 15 LYS HE3 . . . . . . 258 . 18729 9 >> 166 2 . 2 . . 3.038 . 1 1 1 15 LYS HE2 . . . . . . 257 . 18729 9 >> 167 1 . 1 . . 1.802 . 1 1 1 15 LYS HB2 . . . . . . 202 . 18729 9 >> 167 2 . 1 . . 7.458 . 1 1 1 15 LYS H . . . . . . 18 . 18729 9 >> 168 1 . 1 . . 1.707 . 1 1 1 15 LYS HD2 . . . . . . 262 . 18729 9 >> 168 1 . 2 . . 1.707 . 1 1 1 15 LYS HD3 . . . . . . 261 . 18729 9 >> 168 2 . 1 . . 7.459 . 1 1 1 15 LYS H . . . . . . 18 . 18729 9 >> 169 1 . 1 . . 1.902 . 1 1 1 15 LYS HB3 . . . . . . 203 . 18729 9 >> 169 2 . 1 . . 7.456 . 1 1 1 15 LYS H . . . . . . 18 . 18729 9 >> 170 1 . 1 . . 7.930 . 1 1 1 16 MET H . . . . . . 38 . 18729 9 >> 170 2 . 1 . . 2.542 . 1 1 1 16 MET HG3 . . . . . . 264 . 18729 9 >> 171 1 . 1 . . 7.926 . 1 1 1 16 MET H . . . . . . 38 . 18729 9 >> 171 2 . 1 . . 2.498 . 1 1 1 16 MET HG2 . . . . . . 263 . 18729 9 >> 172 1 . 1 . . 7.930 . 1 1 1 16 MET H . . . . . . 38 . 18729 9 >> 172 2 . 1 . . 4.811 . 1 1 1 16 MET HA . . . . . . 201 . 18729 9 >> 173 1 . 1 . . 2.497 . 1 1 1 16 MET HG2 . . . . . . 263 . 18729 9 >> 173 2 . 1 . . 7.926 . 1 1 1 16 MET H . . . . . . 38 . 18729 9 >> 174 1 . 1 . . 1.732 . 1 1 1 16 MET HB2 . . . . . . 199 . 18729 9 >> 174 2 . 1 . . 7.934 . 1 1 1 16 MET H . . . . . . 38 . 18729 9 >> 175 1 . 1 . . 1.732 . 1 1 1 16 MET HB2 . . . . . . 199 . 18729 9 >> 175 2 . 1 . . 2.557 . 1 1 1 16 MET HG3 . . . . . . 264 . 18729 9 >> 176 1 . 1 . . 2.302 . 1 1 1 16 MET HB3 . . . . . . 200 . 18729 9 >> 176 2 . 1 . . 2.548 . 1 1 1 16 MET HG3 . . . . . . 264 . 18729 9 >> 177 1 . 1 . . 2.490 . 1 1 1 16 MET HG2 . . . . . . 263 . 18729 9 >> 177 2 . 1 . . 2.549 . 1 1 1 16 MET HG3 . . . . . . 264 . 18729 9 >> 178 1 . 1 . . 2.549 . 1 1 1 16 MET HG3 . . . . . . 264 . 18729 9 >> 178 2 . 1 . . 2.488 . 1 1 1 16 MET HG2 . . . . . . 263 . 18729 9 >> 179 1 . 1 . . 2.541 . 1 1 1 16 MET HG3 . . . . . . 264 . 18729 9 >> 179 2 . 1 . . 2.285 . 1 1 1 16 MET HB3 . . . . . . 200 . 18729 9 >> 180 1 . 1 . . 2.487 . 1 1 1 16 MET HG2 . . . . . . 263 . 18729 9 >> 180 2 . 1 . . 2.285 . 1 1 1 16 MET HB3 . . . . . . 200 . 18729 9 >> 181 1 . 1 . . 2.535 . 1 1 1 16 MET HG3 . . . . . . 264 . 18729 9 >> 181 2 . 1 . . 1.752 . 1 1 1 16 MET HB2 . . . . . . 199 . 18729 9 >> 182 1 . 1 . . 2.487 . 1 1 1 16 MET HG2 . . . . . . 263 . 18729 9 >> 182 2 . 1 . . 1.735 . 1 1 1 16 MET HB2 . . . . . . 199 . 18729 9 >> 183 1 . 1 . . 1.724 . 1 1 1 16 MET HB2 . . . . . . 199 . 18729 9 >> 183 2 . 1 . . 2.503 . 1 1 1 16 MET HG2 . . . . . . 263 . 18729 9 >> 184 1 . 1 . . 2.298 . 1 1 1 16 MET HB3 . . . . . . 200 . 18729 9 >> 184 2 . 1 . . 2.492 . 1 1 1 16 MET HG2 . . . . . . 263 . 18729 9 >> 185 1 . 1 . . 7.661 . 1 1 1 17 GLY H . . . . . . 20 . 18729 9 >> 185 2 . 1 . . 3.834 . 1 1 1 17 GLY HA2 . . . . . . 156 . 18729 9 >> 186 1 . 1 . . 3.827 . 1 1 1 17 GLY HA2 . . . . . . 156 . 18729 9 >> 186 2 . 1 . . 7.660 . 1 1 1 17 GLY H . . . . . . 20 . 18729 9 >> 187 1 . 1 . . 8.606 . 1 1 1 18 ASP H . . . . . . 56 . 18729 9 >> 187 2 . 1 . . 3.140 . 1 1 1 18 ASP HB3 . . . . . . 197 . 18729 9 >> 188 1 . 1 . . 8.602 . 1 1 1 18 ASP H . . . . . . 56 . 18729 9 >> 188 2 . 1 . . 2.349 . 1 1 1 18 ASP HB2 . . . . . . 196 . 18729 9 >> 189 1 . 1 . . 8.601 . 1 1 1 18 ASP H . . . . . . 56 . 18729 9 >> 189 2 . 1 . . 4.891 . 1 1 1 18 ASP HA . . . . . . 198 . 18729 9 >> 190 1 . 1 . . 3.148 . 1 1 1 18 ASP HB3 . . . . . . 197 . 18729 9 >> 190 2 . 1 . . 8.611 . 1 1 1 18 ASP H . . . . . . 56 . 18729 9 >> 191 1 . 1 . . 2.354 . 1 1 1 18 ASP HB2 . . . . . . 196 . 18729 9 >> 191 2 . 1 . . 8.606 . 1 1 1 18 ASP H . . . . . . 56 . 18729 9 >> 192 1 . 1 . . 2.353 . 1 1 1 18 ASP HB2 . . . . . . 196 . 18729 9 >> 192 2 . 1 . . 3.135 . 1 1 1 18 ASP HB3 . . . . . . 197 . 18729 9 >> 193 1 . 1 . . 3.140 . 1 1 1 18 ASP HB3 . . . . . . 197 . 18729 9 >> 193 2 . 1 . . 2.352 . 1 1 1 18 ASP HB2 . . . . . . 196 . 18729 9 >> 194 1 . 1 . . 8.224 . 1 1 1 19 TRP H . . . . . . 46 . 18729 9 >> 194 2 . 1 . . 3.050 . 1 1 1 19 TRP HB2 . . . . . . 193 . 18729 9 >> 195 1 . 1 . . 8.223 . 1 1 1 19 TRP H . . . . . . 46 . 18729 9 >> 195 2 . 1 . . 4.887 . 1 1 1 19 TRP HA . . . . . . 195 . 18729 9 >> 196 1 . 1 . . 3.051 . 1 1 1 19 TRP HB2 . . . . . . 193 . 18729 9 >> 196 2 . 1 . . 3.608 . 1 1 1 19 TRP HB3 . . . . . . 194 . 18729 9 >> 197 1 . 1 . . 3.601 . 1 1 1 19 TRP HB3 . . . . . . 194 . 18729 9 >> 197 2 . 1 . . 3.053 . 1 1 1 19 TRP HB2 . . . . . . 193 . 18729 9 >> 198 1 . 1 . . 9.447 . 1 1 1 20 CYS H . . . . . . 30 . 18729 9 >> 198 2 . 1 . . 2.704 . 1 1 1 20 CYS HB3 . . . . . . 190 . 18729 9 >> 199 1 . 1 . . 9.447 . 1 1 1 20 CYS H . . . . . . 30 . 18729 9 >> 199 2 . 2 . . 3.024 . 1 1 1 20 CYS HB2 . . . . . . 191 . 18729 9 >> 200 1 . 1 . . 9.263 . 1 1 1 21 CYS H . . . . . . 3 . 18729 9 >> 200 2 . 1 . . 3.248 . 1 1 1 21 CYS HB3 . . . . . . 188 . 18729 9 >> 201 1 . 1 . . 9.260 . 1 1 1 21 CYS H . . . . . . 3 . 18729 9 >> 201 2 . 1 . . 2.740 . 1 1 1 21 CYS HB2 . . . . . . 187 . 18729 9 >> 202 1 . 1 . . 2.730 . 1 1 1 21 CYS HB2 . . . . . . 187 . 18729 9 >> 202 2 . 1 . . 3.279 . 1 1 1 21 CYS HB3 . . . . . . 188 . 18729 9 >> 203 1 . 1 . . 3.267 . 1 1 1 21 CYS HB3 . . . . . . 188 . 18729 9 >> 203 2 . 1 . . 2.725 . 1 1 1 21 CYS HB2 . . . . . . 187 . 18729 9 >> 204 1 . 1 . . 3.804 . 1 1 1 22 GLY HA2 . . . . . . 185 . 18729 9 >> 204 2 . 1 . . 4.274 . 1 1 1 22 GLY HA3 . . . . . . 186 . 18729 9 >> 205 1 . 1 . . 1.652 . 1 1 1 23 ARG HB2 . . . . . . 183 . 18729 9 >> 205 1 . 2 . . 1.652 . 1 1 1 23 ARG HB3 . . . . . . 184 . 18729 9 >> 205 2 . 1 . . 9.150 . 1 1 1 23 ARG H . . . . . . 52 . 18729 9 >> 206 1 . 1 . . 3.212 . 1 1 1 23 ARG HD3 . . . . . . 266 . 18729 9 >> 206 1 . 2 . . 3.212 . 1 1 1 23 ARG HD2 . . . . . . 265 . 18729 9 >> 206 2 . 1 . . 9.156 . 1 1 1 23 ARG H . . . . . . 52 . 18729 9 >> 207 1 . 1 . . 1.639 . 1 1 1 23 ARG HB2 . . . . . . 183 . 18729 9 >> 207 1 . 2 . . 1.639 . 1 1 1 23 ARG HB3 . . . . . . 184 . 18729 9 >> 207 2 . 1 . . 3.231 . 1 1 1 23 ARG HD2 . . . . . . 265 . 18729 9 >> 207 2 . 2 . . 3.231 . 1 1 1 23 ARG HD3 . . . . . . 266 . 18729 9 >> 208 1 . 1 . . 3.213 . 1 1 1 23 ARG HD3 . . . . . . 266 . 18729 9 >> 208 1 . 2 . . 3.213 . 1 1 1 23 ARG HD2 . . . . . . 265 . 18729 9 >> 208 2 . 1 . . 1.653 . 1 1 1 23 ARG HB2 . . . . . . 183 . 18729 9 >> 208 2 . 2 . . 1.653 . 1 1 1 23 ARG HB3 . . . . . . 184 . 18729 9 >> 209 1 . 1 . . 9.146 . 1 1 1 23 ARG H . . . . . . 52 . 18729 9 >> 209 2 . 1 . . 3.215 . 1 1 1 23 ARG HD3 . . . . . . 266 . 18729 9 >> 209 2 . 2 . . 3.215 . 1 1 1 23 ARG HD2 . . . . . . 265 . 18729 9 >> 210 1 . 1 . . 10.614 . 1 1 1 24 CYS H . . . . . . 40 . 18729 9 >> 210 2 . 1 . . 3.464 . 1 1 1 24 CYS HB2 . . . . . . 181 . 18729 9 >> 211 1 . 1 . . 2.693 . 1 1 1 24 CYS HB3 . . . . . . 180 . 18729 9 >> 211 2 . 1 . . 3.439 . 1 1 1 24 CYS HB2 . . . . . . 181 . 18729 9 >> 212 1 . 1 . . 3.433 . 1 1 1 24 CYS HB2 . . . . . . 181 . 18729 9 >> 212 2 . 1 . . 2.724 . 1 1 1 24 CYS HB3 . . . . . . 180 . 18729 9 >> 213 1 . 1 . . 0.881 . 1 1 1 25 ILE MG . . . . . . 268 . 18729 9 >> 213 2 . 1 . . 8.769 . 1 1 1 25 ILE H . . . . . . 12 . 18729 9 >> 214 1 . 1 . . 1.774 . 1 1 1 25 ILE HB . . . . . . 178 . 18729 9 >> 214 2 . 1 . . 4.298 . 1 1 1 25 ILE HA . . . . . . 177 . 18729 9 >> 215 1 . 1 . . 0.788 . 1 1 1 25 ILE MD . . . . . . 267 . 18729 9 >> 215 2 . 1 . . 4.296 . 1 1 1 25 ILE HA . . . . . . 177 . 18729 9 >> 216 1 . 1 . . 0.886 . 1 1 1 25 ILE MG . . . . . . 268 . 18729 9 >> 216 2 . 1 . . 4.291 . 1 1 1 25 ILE HA . . . . . . 177 . 18729 9 >> 217 1 . 1 . . 0.789 . 1 1 1 25 ILE MD . . . . . . 267 . 18729 9 >> 217 2 . 1 . . 1.777 . 1 1 1 25 ILE HB . . . . . . 178 . 18729 9 >> 218 1 . 1 . . 0.886 . 1 1 1 25 ILE MG . . . . . . 268 . 18729 9 >> 218 2 . 1 . . 1.779 . 1 1 1 25 ILE HB . . . . . . 178 . 18729 9 >> 219 1 . 1 . . 0.791 . 1 1 1 25 ILE MD . . . . . . 267 . 18729 9 >> 219 2 . 1 . . 0.894 . 1 1 1 25 ILE MG . . . . . . 268 . 18729 9 >> 220 1 . 1 . . 0.918 . 1 1 1 25 ILE MG . . . . . . 268 . 18729 9 >> 220 2 . 1 . . 0.822 . 1 1 1 25 ILE MD . . . . . . 267 . 18729 9 >> 221 1 . 1 . . 1.763 . 1 1 1 25 ILE HB . . . . . . 178 . 18729 9 >> 221 2 . 1 . . 0.888 . 1 1 1 25 ILE MG . . . . . . 268 . 18729 9 >> 222 1 . 1 . . 1.766 . 1 1 1 25 ILE HB . . . . . . 178 . 18729 9 >> 222 2 . 1 . . 0.792 . 1 1 1 25 ILE MD . . . . . . 267 . 18729 9 >> 223 1 . 1 . . 8.766 . 1 1 1 25 ILE H . . . . . . 12 . 18729 9 >> 223 2 . 1 . . 0.891 . 1 1 1 25 ILE MG . . . . . . 268 . 18729 9 >> 224 1 . 1 . . 8.763 . 1 1 1 25 ILE H . . . . . . 12 . 18729 9 >> 224 2 . 1 . . 1.800 . 1 1 1 25 ILE HB . . . . . . 178 . 18729 9 >> 225 1 . 1 . . 8.759 . 1 1 1 25 ILE H . . . . . . 12 . 18729 9 >> 225 2 . 1 . . 0.788 . 1 1 1 25 ILE MD . . . . . . 267 . 18729 9 >> 226 1 . 1 . . 9.270 . 1 1 1 26 ARG H . . . . . . 26 . 18729 9 >> 226 2 . 2 . . 3.310 . 1 1 1 26 ARG HD3 . . . . . . 269 . 18729 9 >> 227 1 . 1 . . 9.279 . 1 1 1 26 ARG H . . . . . . 26 . 18729 9 >> 227 2 . 3 . . 1.832 . 1 1 1 26 ARG HB2 . . . . . . 174 . 18729 9 >> 228 1 . 1 . . 2.005 . 1 1 1 26 ARG HB3 . . . . . . 176 . 18729 9 >> 228 2 . 1 . . 3.788 . 1 1 1 26 ARG HA . . . . . . 173 . 18729 9 >> 229 1 . 1 . . 1.643 . 1 1 1 26 ARG HG2 . . . . . . 175 . 18729 9 >> 229 1 . 2 . . 1.643 . 1 1 1 26 ARG HG3 . . . . . . 271 . 18729 9 >> 229 2 . 1 . . 3.786 . 1 1 1 26 ARG HA . . . . . . 173 . 18729 9 >> 230 1 . 1 . . 1.843 . 1 1 1 26 ARG HB2 . . . . . . 174 . 18729 9 >> 230 2 . 1 . . 3.783 . 1 1 1 26 ARG HA . . . . . . 173 . 18729 9 >> 231 1 . 2 . . 3.293 . 1 1 1 26 ARG HD3 . . . . . . 269 . 18729 9 >> 231 2 . 1 . . 3.785 . 1 1 1 26 ARG HA . . . . . . 173 . 18729 9 >> 232 1 . 1 . . 2.005 . 1 1 1 26 ARG HB3 . . . . . . 176 . 18729 9 >> 232 2 . 2 . . 3.283 . 1 1 1 26 ARG HD3 . . . . . . 269 . 18729 9 >> 233 1 . 1 . . 1.644 . 1 1 1 26 ARG HG2 . . . . . . 175 . 18729 9 >> 233 2 . 2 . . 3.279 . 1 1 1 26 ARG HD3 . . . . . . 269 . 18729 9 >> 234 1 . 1 . . 1.844 . 1 1 1 26 ARG HB2 . . . . . . 174 . 18729 9 >> 234 2 . 2 . . 3.283 . 1 1 1 26 ARG HD3 . . . . . . 269 . 18729 9 >> 235 1 . 1 . . 2.311 . 1 1 1 2 GLU HG3 . . . . . . 246 . 18729 9 >> 235 1 . 2 . . 2.311 . 1 1 1 2 GLU HG2 . . . . . . 245 . 18729 9 >> 235 2 . 1 . . 2.134 . 1 1 1 2 GLU HB3 . . . . . . 233 . 18729 9 >> 236 1 . 2 . . 3.293 . 1 1 1 26 ARG HD3 . . . . . . 269 . 18729 9 >> 236 2 . 1 . . 2.010 . 1 1 1 26 ARG HB3 . . . . . . 176 . 18729 9 >> 237 1 . 1 . . 3.290 . 1 1 1 26 ARG HD3 . . . . . . 269 . 18729 9 >> 237 2 . 1 . . 1.832 . 1 1 1 26 ARG HB2 . . . . . . 174 . 18729 9 >> 238 1 . 1 . . 3.787 . 1 1 1 26 ARG HA . . . . . . 173 . 18729 9 >> 238 2 . 1 . . 2.010 . 1 1 1 26 ARG HB3 . . . . . . 176 . 18729 9 >> 239 1 . 1 . . 8.368 . 1 1 1 27 ASN H . . . . . . 1 . 18729 9 >> 239 2 . 1 . . 2.910 . 1 1 1 27 ASN HB3 . . . . . . 172 . 18729 9 >> 240 1 . 1 . . 8.367 . 1 1 1 27 ASN H . . . . . . 1 . 18729 9 >> 240 2 . 1 . . 3.289 . 1 1 1 27 ASN HB2 . . . . . . 171 . 18729 9 >> 241 1 . 1 . . 3.276 . 1 1 1 27 ASN HB2 . . . . . . 171 . 18729 9 >> 241 2 . 1 . . 8.364 . 1 1 1 27 ASN H . . . . . . 1 . 18729 9 >> 242 1 . 1 . . 2.913 . 1 1 1 27 ASN HB3 . . . . . . 172 . 18729 9 >> 242 2 . 1 . . 8.369 . 1 1 1 27 ASN H . . . . . . 1 . 18729 9 >> 243 1 . 1 . . 2.926 . 1 1 1 27 ASN HB3 . . . . . . 172 . 18729 9 >> 243 2 . 1 . . 3.286 . 1 1 1 27 ASN HB2 . . . . . . 171 . 18729 9 >> 244 1 . 1 . . 3.285 . 1 1 1 27 ASN HB2 . . . . . . 171 . 18729 9 >> 244 2 . 1 . . 2.941 . 1 1 1 27 ASN HB3 . . . . . . 172 . 18729 9 >> 245 1 . 1 . . 1.920 . 1 1 1 28 GLU HB3 . . . . . . 168 . 18729 9 >> 245 1 . 2 . . 1.920 . 1 1 1 28 GLU HB2 . . . . . . 169 . 18729 9 >> 245 2 . 1 . . 7.881 . 1 1 1 28 GLU H . . . . . . 22 . 18729 9 >> 246 1 . 1 . . 2.167 . 1 1 1 28 GLU HG3 . . . . . . 272 . 18729 9 >> 246 1 . 2 . . 2.167 . 1 1 1 28 GLU HG2 . . . . . . 273 . 18729 9 >> 246 2 . 1 . . 5.046 . 1 1 1 28 GLU HA . . . . . . 167 . 18729 9 >> 247 1 . 1 . . 1.885 . 1 1 1 28 GLU HB3 . . . . . . 168 . 18729 9 >> 247 1 . 2 . . 1.885 . 1 1 1 28 GLU HB2 . . . . . . 169 . 18729 9 >> 247 2 . 1 . . 5.049 . 1 1 1 28 GLU HA . . . . . . 167 . 18729 9 >> 248 1 . 1 . . 2.178 . 1 1 1 28 GLU HG3 . . . . . . 272 . 18729 9 >> 248 1 . 2 . . 2.178 . 1 1 1 28 GLU HG2 . . . . . . 273 . 18729 9 >> 248 2 . 1 . . 1.919 . 1 1 1 28 GLU HB2 . . . . . . 169 . 18729 9 >> 248 2 . 2 . . 1.919 . 1 1 1 28 GLU HB3 . . . . . . 168 . 18729 9 >> 249 1 . 1 . . 1.917 . 1 1 1 28 GLU HB3 . . . . . . 168 . 18729 9 >> 249 1 . 2 . . 1.917 . 1 1 1 28 GLU HB2 . . . . . . 169 . 18729 9 >> 249 2 . 1 . . 2.180 . 1 1 1 28 GLU HG3 . . . . . . 272 . 18729 9 >> 249 2 . 2 . . 2.180 . 1 1 1 28 GLU HG2 . . . . . . 273 . 18729 9 >> 250 1 . 1 . . 8.989 . 1 1 1 29 CYS H . . . . . . 61 . 18729 9 >> 250 2 . 1 . . 3.667 . 1 1 1 29 CYS HB2 . . . . . . 165 . 18729 9 >> 251 1 . 1 . . 8.986 . 1 1 1 29 CYS H . . . . . . 61 . 18729 9 >> 251 2 . 1 . . 5.262 . 1 1 1 29 CYS HA . . . . . . 164 . 18729 9 >> 252 1 . 1 . . 2.764 . 1 1 1 29 CYS HB3 . . . . . . 166 . 18729 9 >> 252 2 . 1 . . 8.995 . 1 1 1 29 CYS H . . . . . . 61 . 18729 9 >> 253 1 . 1 . . 2.756 . 1 1 1 29 CYS HB3 . . . . . . 166 . 18729 9 >> 253 2 . 1 . . 5.259 . 1 1 1 29 CYS HA . . . . . . 164 . 18729 9 >> 254 1 . 1 . . 2.765 . 1 1 1 29 CYS HB3 . . . . . . 166 . 18729 9 >> 254 2 . 1 . . 3.668 . 1 1 1 29 CYS HB2 . . . . . . 165 . 18729 9 >> 255 1 . 1 . . 3.671 . 1 1 1 29 CYS HB2 . . . . . . 165 . 18729 9 >> 255 2 . 1 . . 2.762 . 1 1 1 29 CYS HB3 . . . . . . 166 . 18729 9 >> 256 1 . 2 . . 2.074 . 1 1 1 30 ARG HB3 . . . . . . 163 . 18729 9 >> 256 2 . 1 . . 9.611 . 1 1 1 30 ARG H . . . . . . 59 . 18729 9 >> 257 1 . 1 . . 2.077 . 1 1 1 30 ARG HB3 . . . . . . 163 . 18729 9 >> 257 2 . 1 . . 4.765 . 1 1 1 30 ARG HA . . . . . . 161 . 18729 9 >> 258 1 . 1 . . 1.769 . 1 1 1 30 ARG HB2 . . . . . . 162 . 18729 9 >> 258 2 . 1 . . 4.767 . 1 1 1 30 ARG HA . . . . . . 161 . 18729 9 >> 259 1 . 1 . . 1.761 . 1 1 1 30 ARG HB2 . . . . . . 162 . 18729 9 >> 259 2 . 1 . . 2.084 . 1 1 1 30 ARG HB3 . . . . . . 163 . 18729 9 >> 260 1 . 1 . . 2.082 . 1 1 1 30 ARG HB3 . . . . . . 163 . 18729 9 >> 260 2 . 1 . . 1.772 . 1 1 1 30 ARG HB2 . . . . . . 162 . 18729 9 >> 261 1 . 2 . . 3.259 . 1 1 1 30 ARG HD2 . . . . . . 274 . 18729 9 >> 261 2 . 1 . . 2.077 . 1 1 1 30 ARG HB3 . . . . . . 163 . 18729 9 >> 262 1 . 2 . . 3.260 . 1 1 1 30 ARG HD2 . . . . . . 274 . 18729 9 >> 262 2 . 1 . . 1.770 . 1 1 1 30 ARG HB2 . . . . . . 162 . 18729 9 >> 263 1 . 1 . . 2.962 . 1 1 1 31 ASN HB3 . . . . . . 160 . 18729 9 >> 263 2 . 1 . . 8.690 . 1 1 1 31 ASN H . . . . . . 24 . 18729 9 >> 264 1 . 1 . . 2.829 . 1 1 1 31 ASN HB2 . . . . . . 159 . 18729 9 >> 264 2 . 1 . . 8.697 . 1 1 1 31 ASN H . . . . . . 24 . 18729 9 >> 265 1 . 1 . . 2.940 . 1 1 1 31 ASN HB3 . . . . . . 160 . 18729 9 >> 265 2 . 1 . . 4.566 . 1 1 1 31 ASN HA . . . . . . 158 . 18729 9 >> 266 1 . 1 . . 2.840 . 1 1 1 31 ASN HB2 . . . . . . 159 . 18729 9 >> 266 2 . 1 . . 4.567 . 1 1 1 31 ASN HA . . . . . . 158 . 18729 9 >> 267 1 . 1 . . 2.827 . 1 1 1 31 ASN HB2 . . . . . . 159 . 18729 9 >> 267 2 . 1 . . 2.960 . 1 1 1 31 ASN HB3 . . . . . . 160 . 18729 9 >> 268 1 . 1 . . 2.946 . 1 1 1 31 ASN HB3 . . . . . . 160 . 18729 9 >> 268 2 . 1 . . 2.843 . 1 1 1 31 ASN HB2 . . . . . . 159 . 18729 9 >> 269 1 . 1 . . 8.692 . 1 1 1 31 ASN H . . . . . . 24 . 18729 9 >> 269 2 . 1 . . 2.952 . 1 1 1 31 ASN HB3 . . . . . . 160 . 18729 9 >> 270 1 . 1 . . 3.536 . 1 1 1 32 GLY HA3 . . . . . . 242 . 18729 9 >> 270 2 . 1 . . 8.420 . 1 1 1 32 GLY H . . . . . . 44 . 18729 9 >> 271 1 . 1 . . 3.535 . 1 1 1 32 GLY HA3 . . . . . . 242 . 18729 9 >> 271 2 . 1 . . 3.757 . 1 1 1 32 GLY HA2 . . . . . . 241 . 18729 9 >> 272 1 . 1 . . 3.762 . 1 1 1 32 GLY HA2 . . . . . . 241 . 18729 9 >> 272 2 . 1 . . 3.540 . 1 1 1 32 GLY HA3 . . . . . . 242 . 18729 9 >> 273 1 . 1 . . 7.296 . 1 1 1 9 PHE QD . . . . . . 303 . 18729 9 >> 273 2 . 1 . . 7.298 . 1 1 1 9 PHE QD . . . . . . 303 . 18729 9 >> 274 1 . 1 . . 7.350 . 1 1 1 9 PHE QE . . . . . . 304 . 18729 9 >> 274 2 . 1 . . 7.350 . 1 1 1 9 PHE QE . . . . . . 304 . 18729 9 >> 275 1 . 1 . . 7.286 . 1 1 1 9 PHE HZ . . . . . . 305 . 18729 9 >> 275 2 . 1 . . 7.289 . 1 1 1 9 PHE HZ . . . . . . 305 . 18729 9 >> 278 1 . 1 . . 7.553 . 1 1 1 19 TRP HZ2 . . . . . . 306 . 18729 9 >> 278 2 . 1 . . 7.558 . 1 1 1 19 TRP HZ2 . . . . . . 306 . 18729 9 >> 279 1 . 1 . . 7.547 . 1 1 1 19 TRP HZ2 . . . . . . 306 . 18729 9 >> 279 2 . 1 . . 7.229 . 1 1 1 19 TRP HZ3 . . . . . . 312 . 18729 9 >> 280 1 . 1 . . 7.547 . 1 1 1 19 TRP HZ2 . . . . . . 306 . 18729 9 >> 280 2 . 1 . . 7.340 . 1 1 1 19 TRP HH2 . . . . . . 311 . 18729 9 >> 281 1 . 2 . . 7.347 . 1 1 1 19 TRP HH2 . . . . . . 311 . 18729 9 >> 281 2 . 1 . . 7.550 . 1 1 1 19 TRP HZ2 . . . . . . 306 . 18729 9 >> 282 1 . 1 . . 7.227 . 1 1 1 19 TRP HZ3 . . . . . . 312 . 18729 9 >> 282 2 . 1 . . 7.564 . 1 1 1 19 TRP HZ2 . . . . . . 306 . 18729 9 >> 283 1 . 1 . . 7.623 . 1 1 1 19 TRP HE3 . . . . . . 309 . 18729 9 >> 283 2 . 1 . . 7.628 . 1 1 1 19 TRP HE3 . . . . . . 309 . 18729 9 >> 284 1 . 1 . . 7.609 . 1 1 1 6 ASN HD21 . . . . . . 7 . 18729 9 >> 284 2 . 1 . . 7.614 . 1 1 1 6 ASN HD21 . . . . . . 7 . 18729 9 >> 285 1 . 1 . . 7.634 . 1 1 1 31 ASN HD21 . . . . . . 58 . 18729 9 >> 285 2 . 1 . . 7.638 . 1 1 1 31 ASN HD21 . . . . . . 58 . 18729 9 >> 286 1 . 1 . . 7.620 . 1 1 1 19 TRP HE3 . . . . . . 309 . 18729 9 >> 286 2 . 1 . . 7.557 . 1 1 1 19 TRP HZ2 . . . . . . 306 . 18729 9 >> 287 1 . 1 . . 7.555 . 1 1 1 19 TRP HZ2 . . . . . . 306 . 18729 9 >> 287 2 . 1 . . 7.637 . 1 1 1 19 TRP HE3 . . . . . . 309 . 18729 9 >> 288 1 . 1 . . 7.340 . 1 1 1 19 TRP HH2 . . . . . . 311 . 18729 9 >> 288 2 . 1 . . 7.340 . 1 1 1 19 TRP HH2 . . . . . . 311 . 18729 9 >> 289 1 . 1 . . 7.223 . 1 1 1 19 TRP HZ3 . . . . . . 312 . 18729 9 >> 289 2 . 1 . . 7.229 . 1 1 1 19 TRP HZ3 . . . . . . 312 . 18729 9 >> 290 1 . 1 . . 7.347 . 1 1 1 19 TRP HH2 . . . . . . 311 . 18729 9 >> 290 2 . 1 . . 7.229 . 1 1 1 19 TRP HZ3 . . . . . . 312 . 18729 9 >> 291 1 . 1 . . 7.230 . 1 1 1 19 TRP HZ3 . . . . . . 312 . 18729 9 >> 291 2 . 2 . . 7.348 . 1 1 1 19 TRP HH2 . . . . . . 311 . 18729 9 >> 292 1 . 1 . . 7.451 . 1 1 1 15 LYS H . . . . . . 18 . 18729 9 >> 292 2 . 1 . . 1.416 . 1 1 1 15 LYS HG2 . . . . . . 259 . 18729 9 >> 293 1 . 1 . . 1.914 . 1 1 1 15 LYS HB3 . . . . . . 203 . 18729 9 >> 293 2 . 1 . . 1.411 . 1 1 1 15 LYS HG2 . . . . . . 259 . 18729 9 >> 294 1 . 1 . . 1.730 . 1 1 1 15 LYS HD3 . . . . . . 261 . 18729 9 >> 294 1 . 2 . . 1.730 . 1 1 1 15 LYS HD2 . . . . . . 262 . 18729 9 >> 294 2 . 1 . . 1.420 . 1 1 1 15 LYS HG2 . . . . . . 259 . 18729 9 >> 295 1 . 1 . . 1.427 . 1 1 1 15 LYS HG2 . . . . . . 259 . 18729 9 >> 295 2 . 1 . . 1.735 . 1 1 1 15 LYS HD2 . . . . . . 262 . 18729 9 >> 295 2 . 2 . . 1.735 . 1 1 1 15 LYS HD3 . . . . . . 261 . 18729 9 >> 296 1 . 1 . . 1.518 . 1 1 1 15 LYS HG3 . . . . . . 260 . 18729 9 >> 296 2 . 1 . . 1.824 . 1 1 1 15 LYS HB2 . . . . . . 202 . 18729 9 >> 297 1 . 1 . . 1.423 . 1 1 1 15 LYS HG2 . . . . . . 259 . 18729 9 >> 297 2 . 1 . . 1.919 . 1 1 1 15 LYS HB3 . . . . . . 203 . 18729 9 >> 298 1 . 1 . . 1.415 . 1 1 1 15 LYS HG2 . . . . . . 259 . 18729 9 >> 298 2 . 1 . . 3.034 . 1 1 1 15 LYS HE3 . . . . . . 258 . 18729 9 >> 298 2 . 2 . . 3.034 . 1 1 1 15 LYS HE2 . . . . . . 257 . 18729 9 >> 299 1 . 1 . . 3.032 . 1 1 1 15 LYS HE3 . . . . . . 258 . 18729 9 >> 299 1 . 2 . . 3.032 . 1 1 1 15 LYS HE2 . . . . . . 257 . 18729 9 >> 299 2 . 1 . . 1.424 . 1 1 1 15 LYS HG2 . . . . . . 259 . 18729 9 >> 300 1 . 2 . . 3.301 . 1 1 1 26 ARG HD3 . . . . . . 269 . 18729 9 >> 300 2 . 1 . . 1.644 . 1 1 1 26 ARG HG2 . . . . . . 175 . 18729 9 >> 301 1 . 1 . . 2.000 . 1 1 1 26 ARG HB3 . . . . . . 176 . 18729 9 >> 301 2 . 1 . . 1.844 . 1 1 1 26 ARG HB2 . . . . . . 174 . 18729 9 >> 302 1 . 1 . . 1.842 . 1 1 1 26 ARG HB2 . . . . . . 174 . 18729 9 >> 302 2 . 1 . . 1.998 . 1 1 1 26 ARG HB3 . . . . . . 176 . 18729 9 >> 303 1 . 1 . . 1.645 . 1 1 1 26 ARG HG2 . . . . . . 175 . 18729 9 >> 303 2 . 1 . . 1.997 . 1 1 1 26 ARG HB3 . . . . . . 176 . 18729 9 >> 304 1 . 1 . . 1.644 . 1 1 1 26 ARG HG2 . . . . . . 175 . 18729 9 >> 304 2 . 1 . . 1.842 . 1 1 1 26 ARG HB2 . . . . . . 174 . 18729 9 >> 305 1 . 1 . . 1.842 . 1 1 1 26 ARG HB2 . . . . . . 174 . 18729 9 >> 305 2 . 1 . . 1.644 . 1 1 1 26 ARG HG2 . . . . . . 175 . 18729 9 >> 306 1 . 1 . . 1.999 . 1 1 1 26 ARG HB3 . . . . . . 176 . 18729 9 >> 306 2 . 1 . . 1.644 . 1 1 1 26 ARG HG2 . . . . . . 175 . 18729 9 >> 307 1 . 1 . . 9.163 . 1 1 1 23 ARG H . . . . . . 52 . 18729 9 >> 307 2 . 1 . . 1.650 . 1 1 1 23 ARG HB2 . . . . . . 183 . 18729 9 >> 307 2 . 2 . . 1.650 . 1 1 1 23 ARG HB3 . . . . . . 184 . 18729 9 >> 308 1 . 1 . . 1.689 . 1 1 1 26 ARG HG3 . . . . . . 271 . 18729 9 >> 308 2 . 1 . . 3.788 . 1 1 1 26 ARG HA . . . . . . 173 . 18729 9 >> 309 1 . 1 . . 1.650 . 1 1 1 26 ARG HG2 . . . . . . 175 . 18729 9 >> 309 2 . 1 . . 9.297 . 1 1 1 26 ARG H . . . . . . 26 . 18729 9 >> 310 1 . 1 . . 1.690 . 1 1 1 26 ARG HG3 . . . . . . 271 . 18729 9 >> 310 2 . 2 . . 3.281 . 1 1 1 26 ARG HD3 . . . . . . 269 . 18729 9 >> 311 1 . 1 . . 1.689 . 1 1 1 26 ARG HG3 . . . . . . 271 . 18729 9 >> 311 2 . 1 . . 1.997 . 1 1 1 26 ARG HB3 . . . . . . 176 . 18729 9 >> 312 1 . 1 . . 1.688 . 1 1 1 26 ARG HG3 . . . . . . 271 . 18729 9 >> 312 2 . 1 . . 1.843 . 1 1 1 26 ARG HB2 . . . . . . 174 . 18729 9 >> 313 1 . 1 . . 1.843 . 1 1 1 26 ARG HB2 . . . . . . 174 . 18729 9 >> 313 2 . 1 . . 1.688 . 1 1 1 26 ARG HG3 . . . . . . 271 . 18729 9 >> 314 1 . 1 . . 1.999 . 1 1 1 26 ARG HB3 . . . . . . 176 . 18729 9 >> 314 2 . 1 . . 1.688 . 1 1 1 26 ARG HG3 . . . . . . 271 . 18729 9 >> 315 1 . 1 . . 3.293 . 1 1 1 26 ARG HD3 . . . . . . 269 . 18729 9 >> 315 2 . 1 . . 1.691 . 1 1 1 26 ARG HG3 . . . . . . 271 . 18729 9 >> 316 1 . 1 . . 1.430 . 1 1 1 25 ILE HG12 . . . . . . 327 . 18729 9 >> 316 2 . 1 . . 1.140 . 1 1 1 25 ILE HG13 . . . . . . 328 . 18729 9 >> 317 1 . 1 . . 1.420 . 1 1 1 25 ILE HG12 . . . . . . 327 . 18729 9 >> 317 2 . 1 . . 0.889 . 1 1 1 25 ILE MG . . . . . . 268 . 18729 9 >> 318 1 . 1 . . 1.413 . 1 1 1 25 ILE HG12 . . . . . . 327 . 18729 9 >> 318 2 . 1 . . 0.797 . 1 1 1 25 ILE MD . . . . . . 267 . 18729 9 >> 319 1 . 1 . . 1.108 . 1 1 1 25 ILE HG13 . . . . . . 328 . 18729 9 >> 319 2 . 1 . . 0.795 . 1 1 1 25 ILE MD . . . . . . 267 . 18729 9 >> 320 1 . 1 . . 1.116 . 1 1 1 25 ILE HG13 . . . . . . 328 . 18729 9 >> 320 2 . 1 . . 0.888 . 1 1 1 25 ILE MG . . . . . . 268 . 18729 9 >> 321 1 . 1 . . 0.883 . 1 1 1 25 ILE MG . . . . . . 268 . 18729 9 >> 321 2 . 1 . . 1.119 . 1 1 1 25 ILE HG13 . . . . . . 328 . 18729 9 >> 322 1 . 1 . . 0.790 . 1 1 1 25 ILE MD . . . . . . 267 . 18729 9 >> 322 2 . 1 . . 1.115 . 1 1 1 25 ILE HG13 . . . . . . 328 . 18729 9 >> 323 1 . 1 . . 1.126 . 1 1 1 25 ILE HG13 . . . . . . 328 . 18729 9 >> 323 2 . 1 . . 1.423 . 1 1 1 25 ILE HG12 . . . . . . 327 . 18729 9 >> 324 1 . 1 . . 0.888 . 1 1 1 25 ILE MG . . . . . . 268 . 18729 9 >> 324 2 . 1 . . 1.421 . 1 1 1 25 ILE HG12 . . . . . . 327 . 18729 9 >> 325 1 . 1 . . 0.790 . 1 1 1 25 ILE MD . . . . . . 267 . 18729 9 >> 325 2 . 1 . . 1.409 . 1 1 1 25 ILE HG12 . . . . . . 327 . 18729 9 >> 326 1 . 1 . . 1.119 . 1 1 1 25 ILE HG13 . . . . . . 328 . 18729 9 >> 326 2 . 1 . . 1.779 . 1 1 1 25 ILE HB . . . . . . 178 . 18729 9 >> 327 1 . 1 . . 1.439 . 1 1 1 25 ILE HG12 . . . . . . 327 . 18729 9 >> 327 2 . 1 . . 1.784 . 1 1 1 25 ILE HB . . . . . . 178 . 18729 9 >> 328 1 . 1 . . 1.783 . 1 1 1 25 ILE HB . . . . . . 178 . 18729 9 >> 328 2 . 1 . . 1.434 . 1 1 1 25 ILE HG12 . . . . . . 327 . 18729 9 >> 329 1 . 1 . . 0.835 . 1 1 1 11 PRO HG2 . . . . . . 285 . 18729 9 >> 329 2 . 1 . . 2.436 . 1 1 1 11 PRO HD2 . . . . . . 281 . 18729 9 >> 330 1 . 1 . . 0.844 . 1 1 1 11 PRO HG2 . . . . . . 285 . 18729 9 >> 330 2 . 1 . . 2.672 . 1 1 1 11 PRO HD3 . . . . . . 282 . 18729 9 >> 331 1 . 1 . . 0.715 . 1 1 1 11 PRO HG3 . . . . . . 284 . 18729 9 >> 331 2 . 1 . . 2.439 . 1 1 1 11 PRO HD2 . . . . . . 281 . 18729 9 >> 332 1 . 1 . . 0.694 . 1 1 1 11 PRO HG3 . . . . . . 284 . 18729 9 >> 332 2 . 1 . . 2.678 . 1 1 1 11 PRO HD3 . . . . . . 282 . 18729 9 >> 333 1 . 1 . . 2.082 . 1 1 1 13 PRO HG2 . . . . . . 253 . 18729 9 >> 333 2 . 1 . . 3.856 . 1 1 1 13 PRO HD3 . . . . . . 251 . 18729 9 >> 333 2 . 2 . . 3.856 . 1 1 1 13 PRO HD2 . . . . . . 252 . 18729 9 >> 334 1 . 1 . . 2.082 . 1 1 1 13 PRO HG2 . . . . . . 253 . 18729 9 >> 334 2 . 1 . . 4.192 . 1 1 1 13 PRO HA . . . . . . 208 . 18729 9 >> 335 1 . 1 . . 3.193 . 1 1 1 30 ARG HD3 . . . . . . 275 . 18729 9 >> 335 2 . 1 . . 1.770 . 1 1 1 30 ARG HB2 . . . . . . 162 . 18729 9 >> 336 1 . 1 . . 3.271 . 1 1 1 30 ARG HD2 . . . . . . 274 . 18729 9 >> 336 2 . 1 . . 3.186 . 1 1 1 30 ARG HD3 . . . . . . 275 . 18729 9 >> 337 1 . 1 . . 3.170 . 1 1 1 30 ARG HD3 . . . . . . 275 . 18729 9 >> 337 2 . 1 . . 3.284 . 1 1 1 30 ARG HD2 . . . . . . 274 . 18729 9 >> 338 1 . 1 . . 3.194 . 1 1 1 30 ARG HD3 . . . . . . 275 . 18729 9 >> 338 2 . 1 . . 2.077 . 1 1 1 30 ARG HB3 . . . . . . 163 . 18729 9 >> 339 1 . 1 . . 3.238 . 1 1 1 26 ARG HD2 . . . . . . 270 . 18729 9 >> 339 2 . 1 . . 2.006 . 1 1 1 26 ARG HB3 . . . . . . 176 . 18729 9 >> 340 1 . 2 . . 3.223 . 1 1 1 26 ARG HD2 . . . . . . 270 . 18729 9 >> 340 2 . 1 . . 1.838 . 1 1 1 26 ARG HB2 . . . . . . 174 . 18729 9 >> 341 1 . 1 . . 3.220 . 1 1 1 26 ARG HD2 . . . . . . 270 . 18729 9 >> 341 2 . 1 . . 1.681 . 1 1 1 26 ARG HG3 . . . . . . 271 . 18729 9 >> 342 1 . 1 . . 3.222 . 1 1 1 26 ARG HD2 . . . . . . 270 . 18729 9 >> 342 2 . 1 . . 1.639 . 1 1 1 26 ARG HG2 . . . . . . 175 . 18729 9 >> 343 1 . 1 . . 1.836 . 1 1 1 26 ARG HB2 . . . . . . 174 . 18729 9 >> 343 2 . 1 . . 3.223 . 1 1 1 26 ARG HD2 . . . . . . 270 . 18729 9 >> 344 1 . 1 . . 1.683 . 1 1 1 26 ARG HG3 . . . . . . 271 . 18729 9 >> 344 2 . 1 . . 3.223 . 1 1 1 26 ARG HD2 . . . . . . 270 . 18729 9 >> 345 1 . 1 . . 1.639 . 1 1 1 26 ARG HG2 . . . . . . 175 . 18729 9 >> 345 2 . 1 . . 3.221 . 1 1 1 26 ARG HD2 . . . . . . 270 . 18729 9 >> 346 1 . 1 . . 3.223 . 1 1 1 26 ARG HD2 . . . . . . 270 . 18729 9 >> 346 2 . 1 . . 3.785 . 1 1 1 26 ARG HA . . . . . . 173 . 18729 9 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5_6_7_8_9_10 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '2D 1H-1H NOESY' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 H 1H stop_ _Sample_label $13C_15N _Sample_conditions_label $Standard _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4_5_6_7_8_9_10 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10 >> _Spectral_peak_list.Entry_ID 18729 >> _Spectral_peak_list.ID 10 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $13C_15N >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Standard >> _Spectral_peak_list.Experiment_ID 10 >> _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . 10000.00000000 . . . 18729 10 >> 2 H 1 1H . 8333.33333333 . . . 18729 10 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18729 10 >> 2 1.0 . 18729 10 >> 3 1.0 . 18729 10 >> 4 1.0 . 18729 10 >> 5 1.0 . 18729 10 >> 6 1.0 . 18729 10 >> 7 1.0 . 18729 10 >> 8 1.0 . 18729 10 >> 9 1.0 . 18729 10 >> 10 1.0 . 18729 10 >> 11 1.0 . 18729 10 >> 12 1.0 . 18729 10 >> 13 1.0 . 18729 10 >> 14 1.0 . 18729 10 >> 15 1.0 . 18729 10 >> 16 1.0 . 18729 10 >> 17 1.0 . 18729 10 >> 18 1.0 . 18729 10 >> 19 1.0 . 18729 10 >> 20 1.0 . 18729 10 >> 21 1.0 . 18729 10 >> 22 1.0 . 18729 10 >> 23 1.0 . 18729 10 >> 24 1.0 . 18729 10 >> 25 1.0 . 18729 10 >> 26 1.0 . 18729 10 >> 27 1.0 . 18729 10 >> 28 1.0 . 18729 10 >> 29 1.0 . 18729 10 >> 30 1.0 . 18729 10 >> 31 1.0 . 18729 10 >> 32 1.0 . 18729 10 >> 33 1.0 . 18729 10 >> 34 1.0 . 18729 10 >> 35 1.0 . 18729 10 >> 36 1.0 . 18729 10 >> 37 1.0 . 18729 10 >> 38 1.0 . 18729 10 >> 39 1.0 . 18729 10 >> 40 1.0 . 18729 10 >> 41 1.0 . 18729 10 >> 42 1.0 . 18729 10 >> 43 1.0 . 18729 10 >> 44 1.0 . 18729 10 >> 45 1.0 . 18729 10 >> 46 1.0 . 18729 10 >> 47 1.0 . 18729 10 >> 48 1.0 . 18729 10 >> 49 1.0 . 18729 10 >> 50 1.0 . 18729 10 >> 51 1.0 . 18729 10 >> 52 1.0 . 18729 10 >> 53 1.0 . 18729 10 >> 54 1.0 . 18729 10 >> 55 1.0 . 18729 10 >> 56 1.0 . 18729 10 >> 57 1.0 . 18729 10 >> 58 1.0 . 18729 10 >> 59 1.0 . 18729 10 >> 60 1.0 . 18729 10 >> 61 1.0 . 18729 10 >> 62 1.0 . 18729 10 >> 63 1.0 . 18729 10 >> 64 1.0 . 18729 10 >> 65 1.0 . 18729 10 >> 66 1.0 . 18729 10 >> 67 1.0 . 18729 10 >> 68 1.0 . 18729 10 >> 69 1.0 . 18729 10 >> 70 1.0 . 18729 10 >> 71 1.0 . 18729 10 >> 72 1.0 . 18729 10 >> 73 1.0 . 18729 10 >> 74 1.0 . 18729 10 >> 75 1.0 . 18729 10 >> 76 1.0 . 18729 10 >> 77 1.0 . 18729 10 >> 78 1.0 . 18729 10 >> 79 1.0 . 18729 10 >> 80 1.0 . 18729 10 >> 81 1.0 . 18729 10 >> 82 1.0 . 18729 10 >> 83 1.0 . 18729 10 >> 84 1.0 . 18729 10 >> 85 1.0 . 18729 10 >> 86 1.0 . 18729 10 >> 87 1.0 . 18729 10 >> 88 1.0 . 18729 10 >> 89 1.0 . 18729 10 >> 90 1.0 . 18729 10 >> 91 1.0 . 18729 10 >> 92 1.0 . 18729 10 >> 93 1.0 . 18729 10 >> 94 1.0 . 18729 10 >> 95 1.0 . 18729 10 >> 96 1.0 . 18729 10 >> 97 1.0 . 18729 10 >> 98 1.0 . 18729 10 >> 99 1.0 . 18729 10 >> 100 1.0 . 18729 10 >> 101 1.0 . 18729 10 >> 102 1.0 . 18729 10 >> 103 1.0 . 18729 10 >> 104 1.0 . 18729 10 >> 105 1.0 . 18729 10 >> 106 1.0 . 18729 10 >> 107 1.0 . 18729 10 >> 108 1.0 . 18729 10 >> 109 1.0 . 18729 10 >> 110 1.0 . 18729 10 >> 111 1.0 . 18729 10 >> 112 1.0 . 18729 10 >> 113 1.0 . 18729 10 >> 114 1.0 . 18729 10 >> 115 1.0 . 18729 10 >> 116 1.0 . 18729 10 >> 117 1.0 . 18729 10 >> 118 1.0 . 18729 10 >> 119 1.0 . 18729 10 >> 120 1.0 . 18729 10 >> 121 1.0 . 18729 10 >> 122 1.0 . 18729 10 >> 123 1.0 . 18729 10 >> 124 1.0 . 18729 10 >> 125 1.0 . 18729 10 >> 126 1.0 . 18729 10 >> 127 1.0 . 18729 10 >> 128 1.0 . 18729 10 >> 129 1.0 . 18729 10 >> 130 1.0 . 18729 10 >> 131 1.0 . 18729 10 >> 132 1.0 . 18729 10 >> 133 1.0 . 18729 10 >> 134 1.0 . 18729 10 >> 135 1.0 . 18729 10 >> 136 1.0 . 18729 10 >> 137 1.0 . 18729 10 >> 138 1.0 . 18729 10 >> 139 1.0 . 18729 10 >> 140 1.0 . 18729 10 >> 141 1.0 . 18729 10 >> 142 1.0 . 18729 10 >> 143 1.0 . 18729 10 >> 144 1.0 . 18729 10 >> 145 1.0 . 18729 10 >> 146 1.0 . 18729 10 >> 147 1.0 . 18729 10 >> 148 1.0 . 18729 10 >> 149 1.0 . 18729 10 >> 150 1.0 . 18729 10 >> 151 1.0 . 18729 10 >> 152 1.0 . 18729 10 >> 153 1.0 . 18729 10 >> 154 1.0 . 18729 10 >> 155 1.0 . 18729 10 >> 156 1.0 . 18729 10 >> 157 1.0 . 18729 10 >> 158 1.0 . 18729 10 >> 159 1.0 . 18729 10 >> 160 1.0 . 18729 10 >> 161 1.0 . 18729 10 >> 162 1.0 . 18729 10 >> 163 1.0 . 18729 10 >> 164 1.0 . 18729 10 >> 165 1.0 . 18729 10 >> 166 1.0 . 18729 10 >> 167 1.0 . 18729 10 >> 168 1.0 . 18729 10 >> 169 1.0 . 18729 10 >> 170 1.0 . 18729 10 >> 171 1.0 . 18729 10 >> 172 1.0 . 18729 10 >> 173 1.0 . 18729 10 >> 174 1.0 . 18729 10 >> 175 1.0 . 18729 10 >> 176 1.0 . 18729 10 >> 177 1.0 . 18729 10 >> 178 1.0 . 18729 10 >> 179 1.0 . 18729 10 >> 180 1.0 . 18729 10 >> 181 1.0 . 18729 10 >> 182 1.0 . 18729 10 >> 183 1.0 . 18729 10 >> 184 1.0 . 18729 10 >> 185 1.0 . 18729 10 >> 186 1.0 . 18729 10 >> 187 1.0 . 18729 10 >> 188 1.0 . 18729 10 >> 189 1.0 . 18729 10 >> 190 1.0 . 18729 10 >> 191 1.0 . 18729 10 >> 192 1.0 . 18729 10 >> 193 1.0 . 18729 10 >> 194 1.0 . 18729 10 >> 195 1.0 . 18729 10 >> 196 1.0 . 18729 10 >> 197 1.0 . 18729 10 >> 198 1.0 . 18729 10 >> 199 1.0 . 18729 10 >> 200 1.0 . 18729 10 >> 201 1.0 . 18729 10 >> 202 1.0 . 18729 10 >> 203 1.0 . 18729 10 >> 204 1.0 . 18729 10 >> 205 1.0 . 18729 10 >> 206 1.0 . 18729 10 >> 207 1.0 . 18729 10 >> 208 1.0 . 18729 10 >> 209 1.0 . 18729 10 >> 210 1.0 . 18729 10 >> 211 1.0 . 18729 10 >> 212 1.0 . 18729 10 >> 213 1.0 . 18729 10 >> 214 1.0 . 18729 10 >> 215 1.0 . 18729 10 >> 216 1.0 . 18729 10 >> 217 1.0 . 18729 10 >> 218 1.0 . 18729 10 >> 219 1.0 . 18729 10 >> 220 1.0 . 18729 10 >> 221 1.0 . 18729 10 >> 222 1.0 . 18729 10 >> 223 1.0 . 18729 10 >> 224 1.0 . 18729 10 >> 225 1.0 . 18729 10 >> 226 1.0 . 18729 10 >> 227 1.0 . 18729 10 >> 228 1.0 . 18729 10 >> 229 1.0 . 18729 10 >> 230 1.0 . 18729 10 >> 231 1.0 . 18729 10 >> 232 1.0 . 18729 10 >> 233 1.0 . 18729 10 >> 234 1.0 . 18729 10 >> 235 1.0 . 18729 10 >> 236 1.0 . 18729 10 >> 237 1.0 . 18729 10 >> 238 1.0 . 18729 10 >> 239 1.0 . 18729 10 >> 240 1.0 . 18729 10 >> 241 1.0 . 18729 10 >> 242 1.0 . 18729 10 >> 243 1.0 . 18729 10 >> 244 1.0 . 18729 10 >> 245 1.0 . 18729 10 >> 246 1.0 . 18729 10 >> 247 1.0 . 18729 10 >> 248 1.0 . 18729 10 >> 249 1.0 . 18729 10 >> 250 1.0 . 18729 10 >> 251 1.0 . 18729 10 >> 252 1.0 . 18729 10 >> 253 1.0 . 18729 10 >> 254 1.0 . 18729 10 >> 255 1.0 . 18729 10 >> 256 1.0 . 18729 10 >> 257 1.0 . 18729 10 >> 258 1.0 . 18729 10 >> 259 1.0 . 18729 10 >> 260 1.0 . 18729 10 >> 261 1.0 . 18729 10 >> 262 1.0 . 18729 10 >> 263 1.0 . 18729 10 >> 264 1.0 . 18729 10 >> 265 1.0 . 18729 10 >> 266 1.0 . 18729 10 >> 267 1.0 . 18729 10 >> 268 1.0 . 18729 10 >> 269 1.0 . 18729 10 >> 270 1.0 . 18729 10 >> 271 1.0 . 18729 10 >> 272 1.0 . 18729 10 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 2104156.0 . height 18729 10 >> 1 15915648.0 . volume 18729 10 >> 2 2170970.0 . height 18729 10 >> 2 16039142.0 . volume 18729 10 >> 3 510374.0 . height 18729 10 >> 3 4186718.0 . volume 18729 10 >> 4 510198.0 . height 18729 10 >> 4 4198856.0 . volume 18729 10 >> 5 357804.0 . height 18729 10 >> 5 3048252.0 . volume 18729 10 >> 6 511750.0 . height 18729 10 >> 6 4188282.0 . volume 18729 10 >> 7 237914.0 . height 18729 10 >> 7 1904794.0 . volume 18729 10 >> 8 223522.0 . height 18729 10 >> 8 1809984.0 . volume 18729 10 >> 9 148600.0 . height 18729 10 >> 9 1200634.0 . volume 18729 10 >> 10 317766.0 . height 18729 10 >> 10 2464136.0 . volume 18729 10 >> 11 223598.0 . height 18729 10 >> 11 1651650.0 . volume 18729 10 >> 12 722852.0 . height 18729 10 >> 12 5767858.0 . volume 18729 10 >> 13 745164.0 . height 18729 10 >> 13 5767600.0 . volume 18729 10 >> 14 10726778.0 . height 18729 10 >> 14 77038756.0 . volume 18729 10 >> 15 4590624.0 . height 18729 10 >> 15 37555450.0 . volume 18729 10 >> 16 4547956.0 . height 18729 10 >> 16 36615458.0 . volume 18729 10 >> 17 3147176.0 . height 18729 10 >> 17 25264782.0 . volume 18729 10 >> 18 375174.0 . height 18729 10 >> 18 2731206.0 . volume 18729 10 >> 19 383844.0 . height 18729 10 >> 19 2812770.0 . volume 18729 10 >> 20 182708.0 . height 18729 10 >> 20 1407438.0 . volume 18729 10 >> 21 195412.0 . height 18729 10 >> 21 1557022.0 . volume 18729 10 >> 22 195970.0 . height 18729 10 >> 22 1486638.0 . volume 18729 10 >> 23 234524.0 . height 18729 10 >> 23 1751118.0 . volume 18729 10 >> 24 206284.0 . height 18729 10 >> 24 1632614.0 . volume 18729 10 >> 25 266718.0 . height 18729 10 >> 25 2106320.0 . volume 18729 10 >> 26 412026.0 . height 18729 10 >> 26 3331270.0 . volume 18729 10 >> 27 3490638.0 . height 18729 10 >> 27 30171080.0 . volume 18729 10 >> 28 7072380.0 . height 18729 10 >> 28 53141794.0 . volume 18729 10 >> 29 6253900.0 . height 18729 10 >> 29 47854734.0 . volume 18729 10 >> 30 6495976.0 . height 18729 10 >> 30 51540220.0 . volume 18729 10 >> 31 374704.0 . height 18729 10 >> 31 3053726.0 . volume 18729 10 >> 32 12245606.0 . height 18729 10 >> 32 94019854.0 . volume 18729 10 >> 33 14007382.0 . height 18729 10 >> 33 106759726.0 . volume 18729 10 >> 34 231104.0 . height 18729 10 >> 34 1832390.0 . volume 18729 10 >> 35 4577340.0 . height 18729 10 >> 35 37110980.0 . volume 18729 10 >> 36 6313960.0 . height 18729 10 >> 36 49199438.0 . volume 18729 10 >> 37 4653580.0 . height 18729 10 >> 37 38529208.0 . volume 18729 10 >> 38 8200996.0 . height 18729 10 >> 38 62298906.0 . volume 18729 10 >> 39 233546.0 . height 18729 10 >> 39 1820836.0 . volume 18729 10 >> 40 312260.0 . height 18729 10 >> 40 2576430.0 . volume 18729 10 >> 41 260664.0 . height 18729 10 >> 41 2019742.0 . volume 18729 10 >> 42 307504.0 . height 18729 10 >> 42 2380712.0 . volume 18729 10 >> 43 185412.0 . height 18729 10 >> 43 1445196.0 . volume 18729 10 >> 44 11297390.0 . height 18729 10 >> 44 85078680.0 . volume 18729 10 >> 45 4699572.0 . height 18729 10 >> 45 39202078.0 . volume 18729 10 >> 46 184970.0 . height 18729 10 >> 46 1481648.0 . volume 18729 10 >> 47 186282.0 . height 18729 10 >> 47 1533438.0 . volume 18729 10 >> 48 252608.0 . height 18729 10 >> 48 1976588.0 . volume 18729 10 >> 49 5799534.0 . height 18729 10 >> 49 46342736.0 . volume 18729 10 >> 50 14214902.0 . height 18729 10 >> 50 113631658.0 . volume 18729 10 >> 51 6335044.0 . height 18729 10 >> 51 53396606.0 . volume 18729 10 >> 52 828156.0 . height 18729 10 >> 52 5675696.0 . volume 18729 10 >> 53 351340.0 . height 18729 10 >> 53 2814694.0 . volume 18729 10 >> 54 369510.0 . height 18729 10 >> 54 2903314.0 . volume 18729 10 >> 55 12149738.0 . height 18729 10 >> 55 96459428.0 . volume 18729 10 >> 56 13212442.0 . height 18729 10 >> 56 104428052.0 . volume 18729 10 >> 57 401844.0 . height 18729 10 >> 57 3391112.0 . volume 18729 10 >> 58 252544.0 . height 18729 10 >> 58 1993880.0 . volume 18729 10 >> 59 200092.0 . height 18729 10 >> 59 1479482.0 . volume 18729 10 >> 60 260224.0 . height 18729 10 >> 60 2043876.0 . volume 18729 10 >> 61 5232336.0 . height 18729 10 >> 61 43936062.0 . volume 18729 10 >> 62 8046448.0 . height 18729 10 >> 62 64681162.0 . volume 18729 10 >> 63 392150.0 . height 18729 10 >> 63 3105404.0 . volume 18729 10 >> 64 177470.0 . height 18729 10 >> 64 1379578.0 . volume 18729 10 >> 65 256438.0 . height 18729 10 >> 65 2018484.0 . volume 18729 10 >> 66 198920.0 . height 18729 10 >> 66 1505992.0 . volume 18729 10 >> 67 489724.0 . height 18729 10 >> 67 3824374.0 . volume 18729 10 >> 68 210774.0 . height 18729 10 >> 68 1580458.0 . volume 18729 10 >> 69 17060782.0 . height 18729 10 >> 69 128110746.0 . volume 18729 10 >> 70 1310156.0 . height 18729 10 >> 70 9940380.0 . volume 18729 10 >> 71 2494224.0 . height 18729 10 >> 71 18467782.0 . volume 18729 10 >> 72 2601808.0 . height 18729 10 >> 72 18930044.0 . volume 18729 10 >> 73 1263338.0 . height 18729 10 >> 73 9184016.0 . volume 18729 10 >> 74 11721384.0 . height 18729 10 >> 74 90847414.0 . volume 18729 10 >> 75 8787394.0 . height 18729 10 >> 75 70657440.0 . volume 18729 10 >> 76 11032124.0 . height 18729 10 >> 76 88291366.0 . volume 18729 10 >> 77 271212.0 . height 18729 10 >> 77 2152266.0 . volume 18729 10 >> 78 188668.0 . height 18729 10 >> 78 1500968.0 . volume 18729 10 >> 79 304152.0 . height 18729 10 >> 79 2209442.0 . volume 18729 10 >> 80 270670.0 . height 18729 10 >> 80 2137032.0 . volume 18729 10 >> 81 264028.0 . height 18729 10 >> 81 2185200.0 . volume 18729 10 >> 82 203612.0 . height 18729 10 >> 82 1596048.0 . volume 18729 10 >> 83 242152.0 . height 18729 10 >> 83 1767138.0 . volume 18729 10 >> 84 9427782.0 . height 18729 10 >> 84 75744198.0 . volume 18729 10 >> 85 7950340.0 . height 18729 10 >> 85 63611546.0 . volume 18729 10 >> 86 11505358.0 . height 18729 10 >> 86 88035120.0 . volume 18729 10 >> 87 181648.0 . height 18729 10 >> 87 1363502.0 . volume 18729 10 >> 88 190308.0 . height 18729 10 >> 88 1499968.0 . volume 18729 10 >> 89 295458.0 . height 18729 10 >> 89 2236134.0 . volume 18729 10 >> 90 213330.0 . height 18729 10 >> 90 1646240.0 . volume 18729 10 >> 91 285596.0 . height 18729 10 >> 91 2329594.0 . volume 18729 10 >> 92 9210188.0 . height 18729 10 >> 92 75148158.0 . volume 18729 10 >> 93 15245924.0 . height 18729 10 >> 93 120991610.0 . volume 18729 10 >> 94 9529380.0 . height 18729 10 >> 94 73140188.0 . volume 18729 10 >> 95 10831168.0 . height 18729 10 >> 95 83195620.0 . volume 18729 10 >> 96 487306.0 . height 18729 10 >> 96 4059450.0 . volume 18729 10 >> 97 470326.0 . height 18729 10 >> 97 3758318.0 . volume 18729 10 >> 98 660044.0 . height 18729 10 >> 98 5291900.0 . volume 18729 10 >> 99 517536.0 . height 18729 10 >> 99 4261076.0 . volume 18729 10 >> 100 400344.0 . height 18729 10 >> 100 3446072.0 . volume 18729 10 >> 101 407520.0 . height 18729 10 >> 101 3390420.0 . volume 18729 10 >> 102 711870.0 . height 18729 10 >> 102 5758544.0 . volume 18729 10 >> 103 544532.0 . height 18729 10 >> 103 4576374.0 . volume 18729 10 >> 104 440124.0 . height 18729 10 >> 104 3788078.0 . volume 18729 10 >> 105 592238.0 . height 18729 10 >> 105 4738812.0 . volume 18729 10 >> 106 571854.0 . height 18729 10 >> 106 4625196.0 . volume 18729 10 >> 107 350026.0 . height 18729 10 >> 107 2848194.0 . volume 18729 10 >> 108 570790.0 . height 18729 10 >> 108 4717358.0 . volume 18729 10 >> 109 399802.0 . height 18729 10 >> 109 3310618.0 . volume 18729 10 >> 110 356388.0 . height 18729 10 >> 110 2812036.0 . volume 18729 10 >> 111 296002.0 . height 18729 10 >> 111 2556614.0 . volume 18729 10 >> 112 752186.0 . height 18729 10 >> 112 6507766.0 . volume 18729 10 >> 113 586312.0 . height 18729 10 >> 113 3808378.0 . volume 18729 10 >> 114 2322590.0 . height 18729 10 >> 114 17323564.0 . volume 18729 10 >> 115 1469078.0 . height 18729 10 >> 115 11654764.0 . volume 18729 10 >> 116 1334116.0 . height 18729 10 >> 116 11387882.0 . volume 18729 10 >> 117 870454.0 . height 18729 10 >> 117 7459442.0 . volume 18729 10 >> 118 1174366.0 . height 18729 10 >> 118 9692516.0 . volume 18729 10 >> 119 955320.0 . height 18729 10 >> 119 8144662.0 . volume 18729 10 >> 120 887504.0 . height 18729 10 >> 120 7697676.0 . volume 18729 10 >> 121 731214.0 . height 18729 10 >> 121 6107450.0 . volume 18729 10 >> 122 608692.0 . height 18729 10 >> 122 5117352.0 . volume 18729 10 >> 123 280854.0 . height 18729 10 >> 123 2297366.0 . volume 18729 10 >> 124 248408.0 . height 18729 10 >> 124 2020566.0 . volume 18729 10 >> 125 491118.0 . height 18729 10 >> 125 3993798.0 . volume 18729 10 >> 126 349940.0 . height 18729 10 >> 126 2846670.0 . volume 18729 10 >> 127 218688.0 . height 18729 10 >> 127 1714700.0 . volume 18729 10 >> 128 338844.0 . height 18729 10 >> 128 2816740.0 . volume 18729 10 >> 129 131528.0 . height 18729 10 >> 129 984418.0 . volume 18729 10 >> 130 248190.0 . height 18729 10 >> 130 1889668.0 . volume 18729 10 >> 131 295772.0 . height 18729 10 >> 131 2149598.0 . volume 18729 10 >> 132 124098.0 . height 18729 10 >> 132 904104.0 . volume 18729 10 >> 133 192286.0 . height 18729 10 >> 133 1496656.0 . volume 18729 10 >> 134 141678.0 . height 18729 10 >> 134 1097928.0 . volume 18729 10 >> 135 141742.0 . height 18729 10 >> 135 1084248.0 . volume 18729 10 >> 136 200274.0 . height 18729 10 >> 136 1524348.0 . volume 18729 10 >> 137 125894.0 . height 18729 10 >> 137 966940.0 . volume 18729 10 >> 138 562894.0 . height 18729 10 >> 138 4648952.0 . volume 18729 10 >> 139 692658.0 . height 18729 10 >> 139 5983688.0 . volume 18729 10 >> 140 400066.0 . height 18729 10 >> 140 3377216.0 . volume 18729 10 >> 141 144806.0 . height 18729 10 >> 141 1118464.0 . volume 18729 10 >> 142 195468.0 . height 18729 10 >> 142 1642678.0 . volume 18729 10 >> 143 265276.0 . height 18729 10 >> 143 2174324.0 . volume 18729 10 >> 144 126596.0 . height 18729 10 >> 144 1042900.0 . volume 18729 10 >> 145 156712.0 . height 18729 10 >> 145 1208128.0 . volume 18729 10 >> 146 184602.0 . height 18729 10 >> 146 1337940.0 . volume 18729 10 >> 147 150088.0 . height 18729 10 >> 147 1155912.0 . volume 18729 10 >> 148 119412.0 . height 18729 10 >> 148 916992.0 . volume 18729 10 >> 149 134726.0 . height 18729 10 >> 149 965596.0 . volume 18729 10 >> 150 145564.0 . height 18729 10 >> 150 1111988.0 . volume 18729 10 >> 151 257560.0 . height 18729 10 >> 151 1972712.0 . volume 18729 10 >> 152 120580.0 . height 18729 10 >> 152 904074.0 . volume 18729 10 >> 153 230282.0 . height 18729 10 >> 153 1681696.0 . volume 18729 10 >> 154 153728.0 . height 18729 10 >> 154 1210668.0 . volume 18729 10 >> 155 161002.0 . height 18729 10 >> 155 1292278.0 . volume 18729 10 >> 156 186434.0 . height 18729 10 >> 156 1398842.0 . volume 18729 10 >> 157 234692.0 . height 18729 10 >> 157 1851200.0 . volume 18729 10 >> 158 137580.0 . height 18729 10 >> 158 950822.0 . volume 18729 10 >> 159 257238.0 . height 18729 10 >> 159 2060396.0 . volume 18729 10 >> 160 999316.0 . height 18729 10 >> 160 8691498.0 . volume 18729 10 >> 161 2361512.0 . height 18729 10 >> 161 19650162.0 . volume 18729 10 >> 162 1861672.0 . height 18729 10 >> 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>> 191 30458824.0 . volume 18729 10 >> 192 135944.0 . height 18729 10 >> 192 995296.0 . volume 18729 10 >> 193 129748.0 . height 18729 10 >> 193 918422.0 . volume 18729 10 >> 194 144750.0 . height 18729 10 >> 194 1041326.0 . volume 18729 10 >> 195 172692.0 . height 18729 10 >> 195 1313330.0 . volume 18729 10 >> 196 270248.0 . height 18729 10 >> 196 2233416.0 . volume 18729 10 >> 197 177260.0 . height 18729 10 >> 197 1402008.0 . volume 18729 10 >> 198 93666.0 . height 18729 10 >> 198 705396.0 . volume 18729 10 >> 199 115372.0 . height 18729 10 >> 199 900008.0 . volume 18729 10 >> 200 133652.0 . height 18729 10 >> 200 1087466.0 . volume 18729 10 >> 201 175684.0 . height 18729 10 >> 201 1455002.0 . volume 18729 10 >> 202 187480.0 . height 18729 10 >> 202 1356812.0 . volume 18729 10 >> 203 152848.0 . height 18729 10 >> 203 1165668.0 . volume 18729 10 >> 204 574662.0 . height 18729 10 >> 204 4646050.0 . volume 18729 10 >> 205 309014.0 . height 18729 10 >> 205 2550210.0 . volume 18729 10 >> 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235 422914.0 . height 18729 10 >> 235 3870504.0 . volume 18729 10 >> 236 401226.0 . height 18729 10 >> 236 3683710.0 . volume 18729 10 >> 237 128614.0 . height 18729 10 >> 237 1321128.0 . volume 18729 10 >> 238 223484.0 . height 18729 10 >> 238 1831980.0 . volume 18729 10 >> 239 552032.0 . height 18729 10 >> 239 5075014.0 . volume 18729 10 >> 240 149898.0 . height 18729 10 >> 240 1133046.0 . volume 18729 10 >> 241 147012.0 . height 18729 10 >> 241 1088102.0 . volume 18729 10 >> 242 131646.0 . height 18729 10 >> 242 974734.0 . volume 18729 10 >> 243 126408.0 . height 18729 10 >> 243 910592.0 . volume 18729 10 >> 244 118194.0 . height 18729 10 >> 244 887126.0 . volume 18729 10 >> 245 150224.0 . height 18729 10 >> 245 1180252.0 . volume 18729 10 >> 246 137540.0 . height 18729 10 >> 246 1060714.0 . volume 18729 10 >> 247 219010.0 . height 18729 10 >> 247 1658746.0 . volume 18729 10 >> 248 630376.0 . height 18729 10 >> 248 5204360.0 . volume 18729 10 >> 249 651588.0 . height 18729 10 >> 249 5624358.0 . volume 18729 10 >> 250 145308.0 . height 18729 10 >> 250 1014642.0 . volume 18729 10 >> 251 156684.0 . height 18729 10 >> 251 1222428.0 . volume 18729 10 >> 252 290562.0 . height 18729 10 >> 252 2329178.0 . volume 18729 10 >> 253 120864.0 . height 18729 10 >> 253 826826.0 . volume 18729 10 >> 254 1122470.0 . height 18729 10 >> 254 9388976.0 . volume 18729 10 >> 255 1229058.0 . height 18729 10 >> 255 10424324.0 . volume 18729 10 >> 256 119384.0 . height 18729 10 >> 256 896502.0 . volume 18729 10 >> 257 127744.0 . height 18729 10 >> 257 929638.0 . volume 18729 10 >> 258 140404.0 . height 18729 10 >> 258 1077564.0 . volume 18729 10 >> 259 586546.0 . height 18729 10 >> 259 4590888.0 . volume 18729 10 >> 260 240408.0 . height 18729 10 >> 260 1876064.0 . volume 18729 10 >> 261 210000.0 . height 18729 10 >> 261 1632094.0 . volume 18729 10 >> 262 570636.0 . height 18729 10 >> 262 4543490.0 . volume 18729 10 >> 263 353772.0 . height 18729 10 >> 263 2762002.0 . volume 18729 10 >> 264 510906.0 . height 18729 10 >> 264 4124932.0 . volume 18729 10 >> 265 2237306.0 . height 18729 10 >> 265 18930018.0 . volume 18729 10 >> 266 2657620.0 . height 18729 10 >> 266 22290290.0 . volume 18729 10 >> 267 464340.0 . height 18729 10 >> 267 3956608.0 . volume 18729 10 >> 268 402462.0 . height 18729 10 >> 268 3391162.0 . volume 18729 10 >> 269 183696.0 . height 18729 10 >> 269 1416272.0 . volume 18729 10 >> 270 346586.0 . height 18729 10 >> 270 2825892.0 . volume 18729 10 >> 271 395928.0 . height 18729 10 >> 271 3271164.0 . volume 18729 10 >> 272 6898240.0 . height 18729 10 >> 272 56157074.0 . volume 18729 10 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 7.995 . 12.46064901350 . . . . . . . . . . 1 18729 10 >> 1 2 6.852 . 16.51272177700 . . . . . . . . . . 1 18729 10 >> 2 1 6.853 . 12.54618167880 . . . . . . . . . . 1 18729 10 >> 2 2 7.994 . 15.21507898970 . . . . . . . . . . 1 18729 10 >> 4 1 8.994 . 12.90559768680 . . . . . . . . . . 1 18729 10 >> 4 2 5.045 . 28.80295117700 . . . . . . . . . . 1 18729 10 >> 5 1 9.622 . 20.14189958570 . . . . . . . . . . 1 18729 10 >> 5 2 5.261 . 28.13264727590 . . . . . . . . . . 1 18729 10 >> 6 1 9.565 . 17.84756779670 . . . . . . . . . . 1 18729 10 >> 6 2 4.097 . 21.13928397500 . . . . . . . . . . 1 18729 10 >> 7 1 9.563 . 14.76630568500 . . . . . . . . . . 1 18729 10 >> 7 2 3.854 . 24.84569946920 . . . . . . . . . . 1 18729 10 >> 8 1 9.616 . 12.67582178120 . . . . . . . . . . 1 18729 10 >> 8 2 1.780 . 28.05044253670 . . . . . . . . . . 1 18729 10 >> 9 1 10.617 . 20.20344138150 . . . . . . . . . . 1 18729 10 >> 9 2 2.705 . 27.01034148530 . . . . . . . . . . 1 18729 10 >> 10 1 9.450 . 11.82258129120 . . . . . . . . . . 1 18729 10 >> 10 2 2.709 . 22.92990684510 . . . . . . . . . . 1 18729 10 >> 11 1 9.445 . 11.74747943880 . . . . . . . . . . 1 18729 10 >> 11 2 3.023 . 14.70694939300 . . . . . . . . . . 1 18729 10 >> 12 1 8.997 . 12.72946596150 . . . . . . . . . . 1 18729 10 >> 12 2 3.979 . 24.22283093130 . . . . . . . . . . 1 18729 10 >> 13 1 8.709 . 11.38657331470 . . . . . . . . . . 1 18729 10 >> 13 2 4.101 . 21.40402793880 . . . . . . . . . . 1 18729 10 >> 14 1 9.816 . 10.87471842770 . . . . . . . . . . 1 18729 10 >> 14 2 9.816 . 14.77388044200 . . . . . . . . . . 1 18729 10 >> 15 1 9.618 . 18.69618892670 . . . . . . . . . . 1 18729 10 >> 15 2 9.619 . 19.18772856390 . . . . . . . . . . 1 18729 10 >> 16 1 9.567 . 17.52033829690 . . . . . . . . . . 1 18729 10 >> 16 2 9.568 . 19.17394498980 . . . . . . . . . . 1 18729 10 >> 17 1 10.615 . 17.27581024170 . . . . . . . . . . 1 18729 10 >> 17 2 10.616 . 19.73515997330 . . . . . . . . . . 1 18729 10 >> 18 1 9.815 . 10.80587506290 . . . . . . . . . . 1 18729 10 >> 18 2 6.885 . 15.25133848190 . . . . . . . . . . 1 18729 10 >> 19 1 6.888 . 12.25739717480 . . . . . . . . . . 1 18729 10 >> 19 2 9.816 . 15.43536782260 . . . . . . . . . . 1 18729 10 >> 20 1 9.815 . 12.55959272380 . . . . . . . . . . 1 18729 10 >> 20 2 4.509 . 19.18474833170 . . . . . . . . . . 1 18729 10 >> 21 1 1.770 . 27.35257148740 . . . . . . . . . . 1 18729 10 >> 21 2 9.619 . 17.69152780370 . . . . . . . . . . 1 18729 10 >> 22 1 9.267 . 15.44013619420 . . . . . . . . . . 1 18729 10 >> 22 2 2.741 . 16.39376084010 . . . . . . . . . . 1 18729 10 >> 23 1 9.260 . 13.63560557370 . . . . . . . . . . 1 18729 10 >> 23 2 3.027 . 15.68943262100 . . . . . . . . . . 1 18729 10 >> 24 1 9.280 . 17.60974526410 . . . . . . . . . . 1 18729 10 >> 24 2 3.777 . 17.76168743770 . . . . . . . . . . 1 18729 10 >> 25 1 9.278 . 15.02022147180 . . . . . . . . . . 1 18729 10 >> 25 2 4.292 . 21.11544211710 . . . . . . . . . . 1 18729 10 >> 26 1 8.764 . 21.15130424500 . . . . . . . . . . 1 18729 10 >> 26 2 4.709 . 21.95636431380 . . . . . . . . . . 1 18729 10 >> 27 1 9.272 . 16.77796244620 . . . . . . . . . . 1 18729 10 >> 27 2 9.273 . 21.68081700800 . . . . . . . . . . 1 18729 10 >> 28 1 9.261 . 13.19184899330 . . . . . . . . . . 1 18729 10 >> 28 2 9.261 . 15.96423486870 . . . . . . . . . . 1 18729 10 >> 29 1 9.447 . 13.65393400190 . . . . . . . . . . 1 18729 10 >> 29 2 9.448 . 16.40158394970 . . . . . . . . . . 1 18729 10 >> 30 1 9.149 . 16.78258180620 . . . . . . . . . . 1 18729 10 >> 30 2 9.151 . 18.56659849480 . . . . . . . . . . 1 18729 10 >> 31 1 9.150 . 15.19948244090 . . . . . . . . . . 1 18729 10 >> 31 2 3.815 . 25.47552188240 . . . . . . . . . . 1 18729 10 >> 32 1 9.001 . 15.04629850390 . . . . . . . . . . 1 18729 10 >> 32 2 9.000 . 15.52514731880 . . . . . . . . . . 1 18729 10 >> 33 1 8.991 . 13.82648944850 . . . . . . . . . . 1 18729 10 >> 33 2 8.992 . 15.83037277060 . . . . . . . . . . 1 18729 10 >> 34 1 8.993 . 11.82228326800 . . . . . . . . . . 1 18729 10 >> 34 2 2.753 . 27.65158812210 . . . . . . . . . . 1 18729 10 >> 35 1 8.881 . 18.33677291870 . . . . . . . . . . 1 18729 10 >> 35 2 8.881 . 20.21876474220 . . . . . . . . . . 1 18729 10 >> 36 1 8.811 . 14.75423574450 . . . . . . . . . . 1 18729 10 >> 36 2 8.812 . 17.27777222790 . . . . . . . . . . 1 18729 10 >> 37 1 8.765 . 19.91659402850 . . . . . . . . . . 1 18729 10 >> 37 2 8.768 . 19.71746484440 . . . . . . . . . . 1 18729 10 >> 38 1 8.741 . 14.06311988830 . . . . . . . . . . 1 18729 10 >> 38 2 8.741 . 16.20464026930 . . . . . . . . . . 1 18729 10 >> 39 1 8.739 . 13.05758953090 . . . . . . . . . . 1 18729 10 >> 39 2 7.451 . 18.70542764660 . . . . . . . . . . 1 18729 10 >> 40 1 8.740 . 14.32269811630 . . . . . . . . . . 1 18729 10 >> 40 2 2.077 . 31.12256526950 . . . . . . . . . . 1 18729 10 >> 41 1 8.810 . 14.12689685820 . . . . . . . . . . 1 18729 10 >> 41 2 2.145 . 20.62569061920 . . . . . . . . . . 1 18729 10 >> 42 1 8.810 . 16.06076955800 . . . . . . . . . . 1 18729 10 >> 42 2 0.978 . 15.54191112520 . . . . . . . . . . 1 18729 10 >> 43 1 8.812 . 11.91794872280 . . . . . . . . . . 1 18729 10 >> 43 2 3.051 . 20.10116974510 . . . . . . . . . . 1 18729 10 >> 44 1 8.707 . 13.27365636830 . . . . . . . . . . 1 18729 10 >> 44 2 8.707 . 15.95541834830 . . . . . . . . . . 1 18729 10 >> 45 1 8.694 . 19.60068941120 . . . . . . . . . . 1 18729 10 >> 45 2 8.695 . 20.13978858790 . . . . . . . . . . 1 18729 10 >> 46 1 8.695 . 13.25041055680 . . . . . . . . . . 1 18729 10 >> 46 2 4.762 . 23.04812272390 . . . . . . . . . . 1 18729 10 >> 47 1 8.694 . 14.41389322280 . . . . . . . . . . 1 18729 10 >> 47 2 4.564 . 24.06438191730 . . . . . . . . . . 1 18729 10 >> 48 1 8.709 . 11.06202602390 . . . . . . . . . . 1 18729 10 >> 48 2 2.750 . 36.47953271870 . . . . . . . . . . 1 18729 10 >> 49 1 8.609 . 17.13216304780 . . . . . . . . . . 1 18729 10 >> 49 2 8.609 . 18.75050365920 . . . . . . . . . . 1 18729 10 >> 50 1 8.426 . 18.08285713200 . . . . . . . . . . 1 18729 10 >> 50 2 8.429 . 18.48054428900 . . . . . . . . . . 1 18729 10 >> 51 1 8.412 . 22.40985631940 . . . . . . . . . . 1 18729 10 >> 51 2 8.410 . 23.32068979740 . . . . . . . . . . 1 18729 10 >> 52 1 8.429 . 9.84460115433 . . . . . . . . . . 1 18729 10 >> 52 2 4.531 . 12.78966665270 . . . . . . . . . . 1 18729 10 >> 53 1 8.434 . 13.41432332990 . . . . . . . . . . 1 18729 10 >> 53 2 4.299 . 32.02358881630 . . . . . . . . . . 1 18729 10 >> 54 1 8.432 . 11.21938228610 . . . . . . . . . . 1 18729 10 >> 54 2 2.854 . 23.16087484360 . . . . . . . . . . 1 18729 10 >> 55 1 8.328 . 17.27104187010 . . . . . . . . . . 1 18729 10 >> 55 2 8.328 . 18.50562791030 . . . . . . . . . . 1 18729 10 >> 56 1 8.373 . 16.83473587040 . . . . . . . . . . 1 18729 10 >> 56 2 8.372 . 18.24758946900 . . . . . . . . . . 1 18729 10 >> 57 1 8.373 . 15.81102609630 . . . . . . . . . . 1 18729 10 >> 57 2 4.331 . 33.00507863360 . . . . . . . . . . 1 18729 10 >> 58 1 8.368 . 14.24878835680 . . . . . . . . . . 1 18729 10 >> 58 2 3.776 . 19.62085564930 . . . . . . . . . . 1 18729 10 >> 59 1 8.331 . 11.66611909870 . . . . . . . . . . 1 18729 10 >> 59 2 2.763 . 16.23580853140 . . . . . . . . . . 1 18729 10 >> 60 1 8.322 . 14.32985067370 . . . . . . . . . . 1 18729 10 >> 60 2 3.580 . 28.86950969700 . . . . . . . . . . 1 18729 10 >> 61 1 8.262 . 24.67602491380 . . . . . . . . . . 1 18729 10 >> 61 2 8.262 . 22.54322171210 . . . . . . . . . . 1 18729 10 >> 62 1 8.225 . 18.02563667300 . . . . . . . . . . 1 18729 10 >> 62 2 8.224 . 19.22349135080 . . . . . . . . . . 1 18729 10 >> 63 1 8.263 . 13.90606164930 . . . . . . . . . . 1 18729 10 >> 63 2 4.472 . 19.20809348420 . . . . . . . . . . 1 18729 10 >> 64 1 8.122 . 14.18828964230 . . . . . . . . . . 1 18729 10 >> 64 2 1.671 . 21.18547757470 . . . . . . . . . . 1 18729 10 >> 65 1 8.123 . 10.60545444490 . . . . . . . . . . 1 18729 10 >> 65 2 2.573 . 33.15905729930 . . . . . . . . . . 1 18729 10 >> 66 1 8.122 . 9.61065292358 . . . . . . . . . . 1 18729 10 >> 66 2 2.767 . 27.13203430180 . . . . . . . . . . 1 18729 10 >> 67 1 8.122 . 11.52396202090 . . . . . . . . . . 1 18729 10 >> 67 2 4.081 . 20.16077438990 . . . . . . . . . . 1 18729 10 >> 68 1 8.125 . 12.28451728820 . . . . . . . . . . 1 18729 10 >> 68 2 4.408 . 17.22276210780 . . . . . . . . . . 1 18729 10 >> 69 1 8.123 . 13.39048147200 . . . . . . . . . . 1 18729 10 >> 69 2 8.123 . 15.96212387080 . . . . . . . . . . 1 18729 10 >> 70 1 7.023 . 11.85983419420 . . . . . . . . . . 1 18729 10 >> 70 2 7.643 . 27.48544017470 . . . . . . . . . . 1 18729 10 >> 71 1 7.034 . 11.68429851530 . . . . . . . . . . 1 18729 10 >> 71 2 7.620 . 15.90127746260 . . . . . . . . . . 1 18729 10 >> 72 1 7.619 . 11.58863306050 . . . . . . . . . . 1 18729 10 >> 72 2 7.034 . 15.12343684830 . . . . . . . . . . 1 18729 10 >> 73 1 7.645 . 12.57210969920 . . . . . . . . . . 1 18729 10 >> 73 2 7.021 . 14.51621452970 . . . . . . . . . . 1 18729 10 >> 74 1 7.995 . 15.62088727950 . . . . . . . . . . 1 18729 10 >> 74 2 7.993 . 17.29354262350 . . . . . . . . . . 1 18729 10 >> 75 1 7.932 . 17.86977052690 . . . . . . . . . . 1 18729 10 >> 75 2 7.932 . 18.45831672350 . . . . . . . . . . 1 18729 10 >> 76 1 7.873 . 17.42810010910 . . . . . . . . . . 1 18729 10 >> 76 2 7.874 . 18.35425694780 . . . . . . . . . . 1 18729 10 >> 77 1 7.994 . 13.91351222990 . . . . . . . . . . 1 18729 10 >> 77 2 4.335 . 21.54260873790 . . . . . . . . . . 1 18729 10 >> 78 1 7.997 . 15.31720161440 . . . . . . . . . . 1 18729 10 >> 78 2 4.083 . 20.97636461260 . . . . . . . . . . 1 18729 10 >> 79 1 7.994 . 11.11835241320 . . . . . . . . . . 1 18729 10 >> 79 2 3.270 . 15.43462276460 . . . . . . . . . . 1 18729 10 >> 80 1 7.928 . 15.28322696690 . . . . . . . . . . 1 18729 10 >> 80 2 7.460 . 17.75895555810 . . . . . . . . . . 1 18729 10 >> 81 1 7.930 . 15.26594161990 . . . . . . . . . . 1 18729 10 >> 81 2 7.662 . 23.54010939600 . . . . . . . . . . 1 18729 10 >> 82 1 9.447 . 16.18996262550 . . . . . . . . . . 1 18729 10 >> 82 2 8.227 . 20.77470223110 . . . . . . . . . . 1 18729 10 >> 83 1 9.565 . 14.91203904150 . . . . . . . . . . 1 18729 10 >> 83 2 8.329 . 12.94786731400 . . . . . . . . . . 1 18729 10 >> 84 1 7.662 . 18.09537410740 . . . . . . . . . . 1 18729 10 >> 84 2 7.661 . 18.81048083310 . . . . . . . . . . 1 18729 10 >> 85 1 7.644 . 21.66867256160 . . . . . . . . . . 1 18729 10 >> 85 2 7.643 . 19.24037933350 . . . . . . . . . . 1 18729 10 >> 86 1 7.622 . 14.61207866670 . . . . . . . . . . 1 18729 10 >> 86 2 7.622 . 17.33054717380 . . . . . . . . . . 1 18729 10 >> 87 1 7.668 . 13.37379217150 . . . . . . . . . . 1 18729 10 >> 87 2 4.195 . 18.45806837080 . . . . . . . . . . 1 18729 10 >> 88 1 7.620 . 12.14116811750 . . . . . . . . . . 1 18729 10 >> 88 2 2.762 . 24.45975939430 . . . . . . . . . . 1 18729 10 >> 89 1 7.457 . 14.15222883220 . . . . . . . . . . 1 18729 10 >> 89 2 7.934 . 15.05364974340 . . . . . . . . . . 1 18729 10 >> 90 1 7.459 . 22.37707376480 . . . . . . . . . . 1 18729 10 >> 90 2 8.746 . 15.81273972990 . . . . . . . . . . 1 18729 10 >> 91 1 6.946 . 17.52108335490 . . . . . . . . . . 1 18729 10 >> 91 2 4.716 . 26.03083848950 . . . . . . . . . . 1 18729 10 >> 92 1 7.453 . 17.81970262530 . . . . . . . . . . 1 18729 10 >> 92 2 7.455 . 22.23129073780 . . . . . . . . . . 1 18729 10 >> 93 1 6.936 . 16.81715250020 . . . . . . . . . . 1 18729 10 >> 93 2 6.935 . 18.23479930560 . . . . . . . . . . 1 18729 10 >> 94 1 6.854 . 14.43803310390 . . . . . . . . . . 1 18729 10 >> 94 2 6.854 . 16.75461729370 . . . . . . . . . . 1 18729 10 >> 95 1 6.886 . 14.19425010680 . . . . . . . . . . 1 18729 10 >> 95 2 6.886 . 16.89965526260 . . . . . . . . . . 1 18729 10 >> 129 1 8.258 . 10.28269529340 . . . . . . . . . . 1 18729 10 >> 129 2 3.106 . 18.46651236220 . . . . . . . . . . 1 18729 10 >> 130 1 2.136 . 19.88351345060 . . . . . . . . . . 1 18729 10 >> 130 2 8.811 . 14.11202053230 . . . . . . . . . . 1 18729 10 >> 132 1 8.815 . 11.70009374620 . . . . . . . . . . 1 18729 10 >> 132 2 3.979 . 15.88612794880 . . . . . . . . . . 1 18729 10 >> 133 1 8.999 . 10.54376363750 . . . . . . . . . . 1 18729 10 >> 133 2 2.023 . 33.82911284760 . . . . . . . . . . 1 18729 10 >> 134 1 8.998 . 10.61707735060 . . . . . . . . . . 1 18729 10 >> 134 2 2.218 . 41.17637872700 . . . . . . . . . . 1 18729 10 >> 135 1 2.356 . 14.00709152220 . . . . . . . . . . 1 18729 10 >> 135 2 9.005 . 15.61455428600 . . . . . . . . . . 1 18729 10 >> 136 1 2.200 . 24.53625202180 . . . . . . . . . . 1 18729 10 >> 136 2 8.997 . 25.06213883560 . . . . . . . . . . 1 18729 10 >> 137 1 2.025 . 22.46439456940 . . . . . . . . . . 1 18729 10 >> 137 2 9.002 . 15.54476718110 . . . . . . . . . . 1 18729 10 >> 141 1 9.002 . 12.88861036300 . . . . . . . . . . 1 18729 10 >> 141 2 4.095 . 17.40803321200 . . . . . . . . . . 1 18729 10 >> 144 1 8.706 . 16.62969589230 . . . . . . . . . . 1 18729 10 >> 144 2 2.857 . 37.91203101480 . . . . . . . . . . 1 18729 10 >> 145 1 8.705 . 10.68234443660 . . . . . . . . . . 1 18729 10 >> 145 2 2.213 . 29.01454766590 . . . . . . . . . . 1 18729 10 >> 146 1 8.713 . 10.09672880170 . . . . . . . . . . 1 18729 10 >> 146 2 1.671 . 15.64373572670 . . . . . . . . . . 1 18729 10 >> 147 1 2.861 . 19.45674419400 . . . . . . . . . . 1 18729 10 >> 147 2 7.622 . 18.60583821930 . . . . . . . . . . 1 18729 10 >> 148 1 2.765 . 30.26187419890 . . . . . . . . . . 1 18729 10 >> 148 2 7.624 . 20.78637480740 . . . . . . . . . . 1 18729 10 >> 149 1 2.855 . 19.91331577300 . . . . . . . . . . 1 18729 10 >> 149 2 8.709 . 15.99291960400 . . . . . . . . . . 1 18729 10 >> 150 1 2.761 . 25.28607845310 . . . . . . . . . . 1 18729 10 >> 150 2 8.712 . 16.03824396930 . . . . . . . . . . 1 18729 10 >> 151 1 2.848 . 24.97613430020 . . . . . . . . . . 1 18729 10 >> 151 2 8.437 . 15.19011954470 . . . . . . . . . . 1 18729 10 >> 152 1 9.560 . 12.34650611880 . . . . . . . . . . 1 18729 10 >> 152 2 4.505 . 23.75344435370 . . . . . . . . . . 1 18729 10 >> 153 1 3.586 . 13.58926296230 . . . . . . . . . . 1 18729 10 >> 153 2 8.324 . 16.73462490240 . . . . . . . . . . 1 18729 10 >> 154 1 8.325 . 18.05573701860 . . . . . . . . . . 1 18729 10 >> 154 2 4.310 . 16.47373040520 . . . . . . . . . . 1 18729 10 >> 157 1 8.434 . 13.20213079450 . . . . . . . . . . 1 18729 10 >> 157 2 3.560 . 44.11588112510 . . . . . . . . . . 1 18729 10 >> 158 1 3.378 . 32.97030925750 . . . . . . . . . . 1 18729 10 >> 158 2 8.431 . 12.45674987630 . . . . . . . . . . 1 18729 10 >> 159 1 2.591 . 25.16031265260 . . . . . . . . . . 1 18729 10 >> 159 2 8.124 . 21.24284704530 . . . . . . . . . . 1 18729 10 >> 166 1 6.936 . 11.05517148970 . . . . . . . . . . 1 18729 10 >> 166 2 2.951 . 17.48452583950 . . . . . . . . . . 1 18729 10 >> 187 1 2.074 . 22.60923385620 . . . . . . . . . . 1 18729 10 >> 187 2 8.740 . 12.39950458210 . . . . . . . . . . 1 18729 10 >> 193 1 7.452 . 10.65433025360 . . . . . . . . . . 1 18729 10 >> 193 2 4.416 . 15.23246367770 . . . . . . . . . . 1 18729 10 >> 194 1 7.928 . 10.72287559510 . . . . . . . . . . 1 18729 10 >> 194 2 4.803 . 16.79360866550 . . . . . . . . . . 1 18729 10 >> 195 1 1.759 . 14.37127590180 . . . . . . . . . . 1 18729 10 >> 195 2 7.933 . 14.99156157180 . . . . . . . . . . 1 18729 10 >> 200 1 8.609 . 14.42551612850 . . . . . . . . . . 1 18729 10 >> 200 2 2.344 . 22.65870571140 . . . . . . . . . . 1 18729 10 >> 201 1 8.611 . 18.31203699110 . . . . . . . . . . 1 18729 10 >> 201 2 3.813 . 27.02871958410 . . . . . . . . . . 1 18729 10 >> 202 1 2.389 . 25.90537071230 . . . . . . . . . . 1 18729 10 >> 202 2 8.604 . 13.06198537350 . . . . . . . . . . 1 18729 10 >> 203 1 8.225 . 11.99811697010 . . . . . . . . . . 1 18729 10 >> 203 2 3.032 . 22.36862977350 . . . . . . . . . . 1 18729 10 >> 204 1 8.225 . 17.38399267200 . . . . . . . . . . 1 18729 10 >> 204 2 4.883 . 26.88740690550 . . . . . . . . . . 1 18729 10 >> 211 1 2.700 . 20.13385295870 . . . . . . . . . . 1 18729 10 >> 211 2 9.448 . 15.02198477590 . . . . . . . . . . 1 18729 10 >> 213 1 9.264 . 20.09004354480 . . . . . . . . . . 1 18729 10 >> 213 2 3.272 . 28.75278393430 . . . . . . . . . . 1 18729 10 >> 214 1 2.747 . 14.58883285520 . . . . . . . . . . 1 18729 10 >> 214 2 9.260 . 15.54166277250 . . . . . . . . . . 1 18729 10 >> 215 1 8.887 . 26.73506736760 . . . . . . . . . . 1 18729 10 >> 215 2 3.818 . 20.07633447650 . . . . . . . . . . 1 18729 10 >> 216 1 8.878 . 16.08312129970 . . . . . . . . . . 1 18729 10 >> 216 2 3.044 . 26.18332703910 . . . . . . . . . . 1 18729 10 >> 217 1 8.995 . 14.19454813000 . . . . . . . . . . 1 18729 10 >> 217 2 1.206 . 13.86900742850 . . . . . . . . . . 1 18729 10 >> 218 1 0.984 . 14.59121704100 . . . . . . . . . . 1 18729 10 >> 218 2 9.262 . 15.44641951720 . . . . . . . . . . 1 18729 10 >> 221 1 9.152 . 17.75339245800 . . . . . . . . . . 1 18729 10 >> 221 2 1.652 . 21.01957798000 . . . . . . . . . . 1 18729 10 >> 222 1 10.614 . 15.62938094140 . . . . . . . . . . 1 18729 10 >> 222 2 4.857 . 24.10337328910 . . . . . . . . . . 1 18729 10 >> 223 1 10.617 . 15.06239175800 . . . . . . . . . . 1 18729 10 >> 223 2 3.444 . 19.04616753260 . . . . . . . . . . 1 18729 10 >> 224 1 2.705 . 39.19720649720 . . . . . . . . . . 1 18729 10 >> 224 2 10.614 . 13.71676723160 . . . . . . . . . . 1 18729 10 >> 225 1 3.456 . 21.15309238430 . . . . . . . . . . 1 18729 10 >> 225 2 10.616 . 16.46137485900 . . . . . . . . . . 1 18729 10 >> 226 1 1.795 . 20.19226551060 . . . . . . . . . . 1 18729 10 >> 226 2 8.744 . 26.08212331930 . . . . . . . . . . 1 18729 10 >> 232 1 8.762 . 31.05342388150 . . . . . . . . . . 1 18729 10 >> 232 2 1.792 . 33.57529640200 . . . . . . . . . . 1 18729 10 >> 233 1 7.863 . 16.90477132800 . . . . . . . . . . 1 18729 10 >> 233 2 8.763 . 17.23493138950 . . . . . . . . . . 1 18729 10 >> 234 1 8.764 . 19.40846443180 . . . . . . . . . . 1 18729 10 >> 234 2 7.870 . 17.95738935470 . . . . . . . . . . 1 18729 10 >> 240 1 3.290 . 16.32988452910 . . . . . . . . . . 1 18729 10 >> 240 2 7.999 . 21.01063728330 . . . . . . . . . . 1 18729 10 >> 241 1 2.907 . 10.42366027830 . . . . . . . . . . 1 18729 10 >> 241 2 7.999 . 16.38904213910 . . . . . . . . . . 1 18729 10 >> 242 1 7.876 . 11.80142164230 . . . . . . . . . . 1 18729 10 >> 242 2 1.929 . 18.23057730990 . . . . . . . . . . 1 18729 10 >> 243 1 7.879 . 9.78261232376 . . . . . . . . . . 1 18729 10 >> 243 2 1.849 . 15.78927040100 . . . . . . . . . . 1 18729 10 >> 244 1 7.865 . 11.00629568100 . . . . . . . . . . 1 18729 10 >> 244 2 5.042 . 16.97863141700 . . . . . . . . . . 1 18729 10 >> 245 1 1.919 . 12.32504844670 . . . . . . . . . . 1 18729 10 >> 245 2 7.870 . 19.37473813690 . . . . . . . . . . 1 18729 10 >> 250 1 8.995 . 10.93536615370 . . . . . . . . . . 1 18729 10 >> 250 2 5.264 . 13.49026958150 . . . . . . . . . . 1 18729 10 >> 251 1 2.779 . 20.14279365540 . . . . . . . . . . 1 18729 10 >> 251 2 8.989 . 19.32544012860 . . . . . . . . . . 1 18729 10 >> 253 1 2.082 . 7.73489475250 . . . . . . . . . . 1 18729 10 >> 253 2 9.610 . 17.33899116520 . . . . . . . . . . 1 18729 10 >> 260 1 7.296 . 12.84837722780 . . . . . . . . . . 1 18729 10 >> 260 2 2.868 . 26.90404653550 . . . . . . . . . . 1 18729 10 >> 261 1 7.297 . 17.55684614180 . . . . . . . . . . 1 18729 10 >> 261 2 3.377 . 15.47038555150 . . . . . . . . . . 1 18729 10 >> 262 1 7.627 . 17.07226037980 . . . . . . . . . . 1 18729 10 >> 262 2 7.505 . 18.41907699900 . . . . . . . . . . 1 18729 10 >> 263 1 7.558 . 11.79337501530 . . . . . . . . . . 1 18729 10 >> 263 2 7.343 . 21.94344997410 . . . . . . . . . . 1 18729 10 >> 264 1 7.346 . 15.88225364690 . . . . . . . . . . 1 18729 10 >> 264 2 7.557 . 21.68069283170 . . . . . . . . . . 1 18729 10 >> 265 1 7.351 . 20.08497715000 . . . . . . . . . . 1 18729 10 >> 265 2 7.222 . 39.53228394190 . . . . . . . . . . 1 18729 10 >> 266 1 7.237 . 22.70042896270 . . . . . . . . . . 1 18729 10 >> 266 2 7.363 . 28.02858750030 . . . . . . . . . . 1 18729 10 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 . 1 . . 7.995 . 1 1 1 27 ASN HD22 . . . . . . 34 . 18729 10 >> 1 2 . 1 . . 6.852 . 1 1 1 27 ASN HD21 . . . . . . 65 . 18729 10 >> 2 1 . 1 . . 6.853 . 1 1 1 27 ASN HD21 . . . . . . 65 . 18729 10 >> 2 2 . 1 . . 7.994 . 1 1 1 27 ASN HD22 . . . . . . 34 . 18729 10 >> 4 1 . 1 . . 8.994 . 1 1 1 5 GLU H . . . . . . 5 . 18729 10 >> 4 1 . 2 . . 8.994 . 1 1 1 29 CYS H . . . . . . 61 . 18729 10 >> 5 1 . 1 . . 9.622 . 1 1 1 30 ARG H . . . . . . 59 . 18729 10 >> 6 1 . 1 . . 9.565 . 1 1 1 7 GLY H . . . . . . 50 . 18729 10 >> 7 1 . 1 . . 9.563 . 1 1 1 7 GLY H . . . . . . 50 . 18729 10 >> 8 1 . 1 . . 9.616 . 1 1 1 30 ARG H . . . . . . 59 . 18729 10 >> 9 1 . 1 . . 10.617 . 1 1 1 24 CYS H . . . . . . 40 . 18729 10 >> 10 1 . 1 . . 9.450 . 1 1 1 20 CYS H . . . . . . 30 . 18729 10 >> 11 1 . 1 . . 9.445 . 1 1 1 20 CYS H . . . . . . 30 . 18729 10 >> 12 1 . 1 . . 8.997 . 1 1 1 5 GLU H . . . . . . 5 . 18729 10 >> 12 2 . 2 . . 3.979 . 1 1 1 4 VAL HA . . . . . . 228 . 18729 10 >> 13 1 . 1 . . 8.709 . 1 1 1 6 ASN H . . . . . . 63 . 18729 10 >> 13 1 . 2 . . 8.709 . 1 1 1 31 ASN H . . . . . . 24 . 18729 10 >> 14 1 . 1 . . 9.816 . 1 1 1 19 TRP HE1 . . . . . . 32 . 18729 10 >> 14 2 . 1 . . 9.816 . 1 1 1 19 TRP HE1 . . . . . . 32 . 18729 10 >> 15 1 . 1 . . 9.618 . 1 1 1 30 ARG H . . . . . . 59 . 18729 10 >> 15 2 . 1 . . 9.619 . 1 1 1 30 ARG H . . . . . . 59 . 18729 10 >> 16 1 . 1 . . 9.567 . 1 1 1 7 GLY H . . . . . . 50 . 18729 10 >> 16 2 . 1 . . 9.568 . 1 1 1 7 GLY H . . . . . . 50 . 18729 10 >> 17 1 . 1 . . 10.615 . 1 1 1 24 CYS H . . . . . . 40 . 18729 10 >> 17 2 . 1 . . 10.616 . 1 1 1 24 CYS H . . . . . . 40 . 18729 10 >> 18 1 . 1 . . 9.815 . 1 1 1 19 TRP HE1 . . . . . . 32 . 18729 10 >> 18 2 . 1 . . 6.885 . 1 1 1 19 TRP HD1 . . . . . . 300 . 18729 10 >> 19 1 . 1 . . 6.888 . 1 1 1 19 TRP HD1 . . . . . . 300 . 18729 10 >> 19 2 . 1 . . 9.816 . 1 1 1 19 TRP HE1 . . . . . . 32 . 18729 10 >> 20 1 . 1 . . 9.815 . 1 1 1 19 TRP HE1 . . . . . . 32 . 18729 10 >> 21 2 . 1 . . 9.619 . 1 1 1 30 ARG H . . . . . . 59 . 18729 10 >> 22 1 . 1 . . 9.267 . 1 1 1 21 CYS H . . . . . . 3 . 18729 10 >> 22 1 . 2 . . 9.267 . 1 1 1 26 ARG H . . . . . . 26 . 18729 10 >> 23 1 . 1 . . 9.260 . 1 1 1 21 CYS H . . . . . . 3 . 18729 10 >> 24 1 . 1 . . 9.280 . 1 1 1 26 ARG H . . . . . . 26 . 18729 10 >> 25 1 . 1 . . 9.278 . 1 1 1 26 ARG H . . . . . . 26 . 18729 10 >> 26 1 . 1 . . 8.764 . 1 1 1 25 ILE H . . . . . . 12 . 18729 10 >> 27 1 . 1 . . 9.272 . 1 1 1 26 ARG H . . . . . . 26 . 18729 10 >> 27 2 . 1 . . 9.273 . 1 1 1 26 ARG H . . . . . . 26 . 18729 10 >> 28 1 . 1 . . 9.261 . 1 1 1 21 CYS H . . . . . . 3 . 18729 10 >> 28 2 . 1 . . 9.261 . 1 1 1 21 CYS H . . . . . . 3 . 18729 10 >> 29 1 . 1 . . 9.447 . 1 1 1 20 CYS H . . . . . . 30 . 18729 10 >> 29 2 . 1 . . 9.448 . 1 1 1 20 CYS H . . . . . . 30 . 18729 10 >> 30 1 . 1 . . 9.149 . 1 1 1 23 ARG H . . . . . . 52 . 18729 10 >> 30 2 . 1 . . 9.151 . 1 1 1 23 ARG H . . . . . . 52 . 18729 10 >> 31 1 . 1 . . 9.150 . 1 1 1 23 ARG H . . . . . . 52 . 18729 10 >> 32 1 . 1 . . 9.001 . 1 1 1 5 GLU H . . . . . . 5 . 18729 10 >> 32 2 . 1 . . 9.000 . 1 1 1 5 GLU H . . . . . . 5 . 18729 10 >> 33 1 . 1 . . 8.991 . 1 1 1 29 CYS H . . . . . . 61 . 18729 10 >> 33 2 . 1 . . 8.992 . 1 1 1 29 CYS H . . . . . . 61 . 18729 10 >> 34 1 . 1 . . 8.993 . 1 1 1 29 CYS H . . . . . . 61 . 18729 10 >> 34 1 . 2 . . 8.993 . 1 1 1 5 GLU H . . . . . . 5 . 18729 10 >> 35 1 . 1 . . 8.881 . 1 1 1 22 GLY H . . . . . . 16 . 18729 10 >> 35 2 . 1 . . 8.881 . 1 1 1 22 GLY H . . . . . . 16 . 18729 10 >> 36 1 . 1 . . 8.811 . 1 1 1 4 VAL H . . . . . . 42 . 18729 10 >> 36 2 . 1 . . 8.812 . 1 1 1 4 VAL H . . . . . . 42 . 18729 10 >> 37 1 . 1 . . 8.765 . 1 1 1 25 ILE H . . . . . . 12 . 18729 10 >> 37 2 . 1 . . 8.768 . 1 1 1 25 ILE H . . . . . . 12 . 18729 10 >> 38 1 . 1 . . 8.741 . 1 1 1 14 GLU H . . . . . . 48 . 18729 10 >> 38 2 . 1 . . 8.741 . 1 1 1 14 GLU H . . . . . . 48 . 18729 10 >> 39 1 . 1 . . 8.739 . 1 1 1 14 GLU H . . . . . . 48 . 18729 10 >> 39 2 . 1 . . 7.451 . 1 1 1 15 LYS H . . . . . . 18 . 18729 10 >> 40 1 . 1 . . 8.740 . 1 1 1 14 GLU H . . . . . . 48 . 18729 10 >> 41 1 . 1 . . 8.810 . 1 1 1 4 VAL H . . . . . . 42 . 18729 10 >> 41 2 . 1 . . 2.145 . 1 1 1 4 VAL HB . . . . . . 227 . 18729 10 >> 42 1 . 1 . . 8.810 . 1 1 1 4 VAL H . . . . . . 42 . 18729 10 >> 42 2 . 1 . . 0.978 . 1 1 1 4 VAL MG1 . . . . . . 247 . 18729 10 >> 43 1 . 1 . . 8.812 . 1 1 1 4 VAL H . . . . . . 42 . 18729 10 >> 44 1 . 1 . . 8.707 . 1 1 1 6 ASN H . . . . . . 63 . 18729 10 >> 44 2 . 1 . . 8.707 . 1 1 1 6 ASN H . . . . . . 63 . 18729 10 >> 45 1 . 1 . . 8.694 . 1 1 1 31 ASN H . . . . . . 24 . 18729 10 >> 45 2 . 1 . . 8.695 . 1 1 1 31 ASN H . . . . . . 24 . 18729 10 >> 46 1 . 1 . . 8.695 . 1 1 1 31 ASN H . . . . . . 24 . 18729 10 >> 46 1 . 2 . . 8.695 . 1 1 1 6 ASN H . . . . . . 63 . 18729 10 >> 47 1 . 1 . . 8.694 . 1 1 1 31 ASN H . . . . . . 24 . 18729 10 >> 47 1 . 2 . . 8.694 . 1 1 1 6 ASN H . . . . . . 63 . 18729 10 >> 48 1 . 1 . . 8.709 . 1 1 1 6 ASN H . . . . . . 63 . 18729 10 >> 48 1 . 2 . . 8.709 . 1 1 1 31 ASN H . . . . . . 24 . 18729 10 >> 49 1 . 1 . . 8.609 . 1 1 1 18 ASP H . . . . . . 56 . 18729 10 >> 49 2 . 1 . . 8.609 . 1 1 1 18 ASP H . . . . . . 56 . 18729 10 >> 50 1 . 1 . . 8.426 . 1 1 1 9 PHE H . . . . . . 36 . 18729 10 >> 50 2 . 1 . . 8.429 . 1 1 1 9 PHE H . . . . . . 36 . 18729 10 >> 51 1 . 1 . . 8.412 . 1 1 1 32 GLY H . . . . . . 44 . 18729 10 >> 51 2 . 1 . . 8.410 . 1 1 1 32 GLY H . . . . . . 44 . 18729 10 >> 52 1 . 1 . . 8.429 . 1 1 1 9 PHE H . . . . . . 36 . 18729 10 >> 52 1 . 2 . . 8.429 . 1 1 1 32 GLY H . . . . . . 44 . 18729 10 >> 53 1 . 1 . . 8.434 . 1 1 1 9 PHE H . . . . . . 36 . 18729 10 >> 53 1 . 2 . . 8.434 . 1 1 1 32 GLY H . . . . . . 44 . 18729 10 >> 54 1 . 1 . . 8.432 . 1 1 1 9 PHE H . . . . . . 36 . 18729 10 >> 54 1 . 2 . . 8.432 . 1 1 1 32 GLY H . . . . . . 44 . 18729 10 >> 55 1 . 1 . . 8.328 . 1 1 1 8 GLY H . . . . . . 28 . 18729 10 >> 55 2 . 1 . . 8.328 . 1 1 1 8 GLY H . . . . . . 28 . 18729 10 >> 56 1 . 1 . . 8.373 . 1 1 1 27 ASN H . . . . . . 1 . 18729 10 >> 56 2 . 1 . . 8.372 . 1 1 1 27 ASN H . . . . . . 1 . 18729 10 >> 57 1 . 1 . . 8.373 . 1 1 1 27 ASN H . . . . . . 1 . 18729 10 >> 58 1 . 1 . . 8.368 . 1 1 1 27 ASN H . . . . . . 1 . 18729 10 >> 59 1 . 1 . . 8.331 . 1 1 1 8 GLY H . . . . . . 28 . 18729 10 >> 60 1 . 1 . . 8.322 . 1 1 1 8 GLY H . . . . . . 28 . 18729 10 >> 61 1 . 2 . . 8.262 . 1 1 1 3 CYS H . . . . . . 54 . 18729 10 >> 61 2 . 1 . . 8.262 . 1 1 1 3 CYS H . . . . . . 54 . 18729 10 >> 62 1 . 1 . . 8.225 . 1 1 1 19 TRP H . . . . . . 46 . 18729 10 >> 62 2 . 1 . . 8.224 . 1 1 1 19 TRP H . . . . . . 46 . 18729 10 >> 63 1 . 1 . . 8.263 . 1 1 1 3 CYS H . . . . . . 54 . 18729 10 >> 64 1 . 1 . . 8.122 . 1 1 1 12 ASP H . . . . . . 14 . 18729 10 >> 65 1 . 1 . . 8.123 . 1 1 1 12 ASP H . . . . . . 14 . 18729 10 >> 66 1 . 1 . . 8.122 . 1 1 1 12 ASP H . . . . . . 14 . 18729 10 >> 67 1 . 1 . . 8.122 . 1 1 1 12 ASP H . . . . . . 14 . 18729 10 >> 68 1 . 1 . . 8.125 . 1 1 1 12 ASP H . . . . . . 14 . 18729 10 >> 69 1 . 1 . . 8.123 . 1 1 1 12 ASP H . . . . . . 14 . 18729 10 >> 69 2 . 1 . . 8.123 . 1 1 1 12 ASP H . . . . . . 14 . 18729 10 >> 70 1 . 1 . . 7.023 . 1 1 1 31 ASN HD22 . . . . . . 67 . 18729 10 >> 70 2 . 1 . . 7.643 . 1 1 1 31 ASN HD21 . . . . . . 58 . 18729 10 >> 71 1 . 1 . . 7.034 . 1 1 1 6 ASN HD22 . . . . . . 11 . 18729 10 >> 71 2 . 1 . . 7.620 . 1 1 1 6 ASN HD21 . . . . . . 7 . 18729 10 >> 72 1 . 1 . . 7.619 . 1 1 1 6 ASN HD21 . . . . . . 7 . 18729 10 >> 72 2 . 1 . . 7.034 . 1 1 1 6 ASN HD22 . . . . . . 11 . 18729 10 >> 73 1 . 1 . . 7.645 . 1 1 1 31 ASN HD21 . . . . . . 58 . 18729 10 >> 73 2 . 1 . . 7.021 . 1 1 1 31 ASN HD22 . . . . . . 67 . 18729 10 >> 74 1 . 1 . . 7.995 . 1 1 1 27 ASN HD22 . . . . . . 34 . 18729 10 >> 74 2 . 1 . . 7.993 . 1 1 1 27 ASN HD22 . . . . . . 34 . 18729 10 >> 75 1 . 1 . . 7.932 . 1 1 1 16 MET H . . . . . . 38 . 18729 10 >> 75 2 . 1 . . 7.932 . 1 1 1 16 MET H . . . . . . 38 . 18729 10 >> 76 1 . 1 . . 7.873 . 1 1 1 28 GLU H . . . . . . 22 . 18729 10 >> 76 2 . 1 . . 7.874 . 1 1 1 28 GLU H . . . . . . 22 . 18729 10 >> 77 1 . 1 . . 7.994 . 1 1 1 27 ASN HD22 . . . . . . 34 . 18729 10 >> 78 1 . 1 . . 7.997 . 1 1 1 27 ASN HD22 . . . . . . 34 . 18729 10 >> 79 1 . 1 . . 7.994 . 1 1 1 27 ASN HD22 . . . . . . 34 . 18729 10 >> 80 1 . 1 . . 7.928 . 1 1 1 16 MET H . . . . . . 38 . 18729 10 >> 80 2 . 1 . . 7.460 . 1 1 1 15 LYS H . . . . . . 18 . 18729 10 >> 81 1 . 1 . . 7.930 . 1 1 1 16 MET H . . . . . . 38 . 18729 10 >> 81 2 . 1 . . 7.662 . 1 1 1 17 GLY H . . . . . . 20 . 18729 10 >> 82 1 . 1 . . 9.447 . 1 1 1 20 CYS H . . . . . . 30 . 18729 10 >> 82 2 . 1 . . 8.227 . 1 1 1 19 TRP H . . . . . . 46 . 18729 10 >> 83 1 . 1 . . 9.565 . 1 1 1 7 GLY H . . . . . . 50 . 18729 10 >> 83 2 . 1 . . 8.329 . 1 1 1 8 GLY H . . . . . . 28 . 18729 10 >> 84 1 . 1 . . 7.662 . 1 1 1 17 GLY H . . . . . . 20 . 18729 10 >> 84 2 . 1 . . 7.661 . 1 1 1 17 GLY H . . . . . . 20 . 18729 10 >> 85 1 . 1 . . 7.644 . 1 1 1 31 ASN HD21 . . . . . . 58 . 18729 10 >> 85 2 . 1 . . 7.643 . 1 1 1 31 ASN HD21 . . . . . . 58 . 18729 10 >> 86 1 . 1 . . 7.622 . 1 1 1 6 ASN HD21 . . . . . . 7 . 18729 10 >> 86 2 . 1 . . 7.622 . 1 1 1 6 ASN HD21 . . . . . . 7 . 18729 10 >> 87 1 . 1 . . 7.668 . 1 1 1 17 GLY H . . . . . . 20 . 18729 10 >> 88 1 . 1 . . 7.620 . 1 1 1 6 ASN HD21 . . . . . . 7 . 18729 10 >> 89 1 . 1 . . 7.457 . 1 1 1 15 LYS H . . . . . . 18 . 18729 10 >> 89 2 . 1 . . 7.934 . 1 1 1 16 MET H . . . . . . 38 . 18729 10 >> 90 1 . 1 . . 7.459 . 1 1 1 15 LYS H . . . . . . 18 . 18729 10 >> 90 2 . 1 . . 8.746 . 1 1 1 14 GLU H . . . . . . 48 . 18729 10 >> 91 1 . 1 . . 6.946 . 1 1 1 10 CYS H . . . . . . 9 . 18729 10 >> 92 1 . 1 . . 7.453 . 1 1 1 15 LYS H . . . . . . 18 . 18729 10 >> 92 2 . 1 . . 7.455 . 1 1 1 15 LYS H . . . . . . 18 . 18729 10 >> 93 1 . 1 . . 6.936 . 1 1 1 10 CYS H . . . . . . 9 . 18729 10 >> 93 2 . 1 . . 6.935 . 1 1 1 10 CYS H . . . . . . 9 . 18729 10 >> 94 1 . 1 . . 6.854 . 1 1 1 27 ASN HD21 . . . . . . 65 . 18729 10 >> 94 2 . 1 . . 6.854 . 1 1 1 27 ASN HD21 . . . . . . 65 . 18729 10 >> 95 1 . 1 . . 6.886 . 1 1 1 19 TRP HD1 . . . . . . 300 . 18729 10 >> 95 2 . 1 . . 6.886 . 1 1 1 19 TRP HD1 . . . . . . 300 . 18729 10 >> 129 1 . 1 . . 8.258 . 1 1 1 3 CYS H . . . . . . 54 . 18729 10 >> 130 2 . 1 . . 8.811 . 1 1 1 4 VAL H . . . . . . 42 . 18729 10 >> 132 1 . 1 . . 8.815 . 1 1 1 4 VAL H . . . . . . 42 . 18729 10 >> 132 2 . 1 . . 3.979 . 1 1 1 4 VAL HA . . . . . . 228 . 18729 10 >> 133 1 . 1 . . 8.999 . 1 1 1 5 GLU H . . . . . . 5 . 18729 10 >> 133 2 . 1 . . 2.023 . 1 1 1 5 GLU HB2 . . . . . . 224 . 18729 10 >> 134 1 . 1 . . 8.998 . 1 1 1 5 GLU H . . . . . . 5 . 18729 10 >> 134 2 . 1 . . 2.218 . 1 1 1 5 GLU HB3 . . . . . . 225 . 18729 10 >> 135 2 . 1 . . 9.005 . 1 1 1 5 GLU H . . . . . . 5 . 18729 10 >> 136 2 . 1 . . 8.997 . 1 1 1 5 GLU H . . . . . . 5 . 18729 10 >> 137 2 . 1 . . 9.002 . 1 1 1 5 GLU H . . . . . . 5 . 18729 10 >> 141 1 . 1 . . 9.002 . 1 1 1 5 GLU H . . . . . . 5 . 18729 10 >> 141 2 . 1 . . 4.095 . 1 1 1 5 GLU HA . . . . . . 226 . 18729 10 >> 144 1 . 1 . . 8.706 . 1 1 1 6 ASN H . . . . . . 63 . 18729 10 >> 144 1 . 2 . . 8.706 . 1 1 1 31 ASN H . . . . . . 24 . 18729 10 >> 145 1 . 1 . . 8.705 . 1 1 1 6 ASN H . . . . . . 63 . 18729 10 >> 145 1 . 2 . . 8.705 . 1 1 1 31 ASN H . . . . . . 24 . 18729 10 >> 146 1 . 1 . . 8.713 . 1 1 1 6 ASN H . . . . . . 63 . 18729 10 >> 146 1 . 2 . . 8.713 . 1 1 1 31 ASN H . . . . . . 24 . 18729 10 >> 147 1 . 1 . . 2.861 . 1 1 1 6 ASN HB2 . . . . . . 222 . 18729 10 >> 147 1 . 2 . . 2.861 . 1 1 1 31 ASN HB2 . . . . . . 159 . 18729 10 >> 148 2 . 1 . . 7.624 . 1 1 1 6 ASN HD21 . . . . . . 7 . 18729 10 >> 148 2 . 2 . . 7.624 . 1 1 1 31 ASN HD21 . . . . . . 58 . 18729 10 >> 149 2 . 1 . . 8.709 . 1 1 1 6 ASN H . . . . . . 63 . 18729 10 >> 150 2 . 1 . . 8.712 . 1 1 1 6 ASN H . . . . . . 63 . 18729 10 >> 151 1 . 1 . . 2.848 . 1 1 1 9 PHE HB3 . . . . . . 214 . 18729 10 >> 151 2 . 1 . . 8.437 . 1 1 1 9 PHE H . . . . . . 36 . 18729 10 >> 152 1 . 1 . . 9.560 . 1 1 1 7 GLY H . . . . . . 50 . 18729 10 >> 153 2 . 1 . . 8.324 . 1 1 1 8 GLY H . . . . . . 28 . 18729 10 >> 154 1 . 1 . . 8.325 . 1 1 1 8 GLY H . . . . . . 28 . 18729 10 >> 157 1 . 1 . . 8.434 . 1 1 1 32 GLY H . . . . . . 44 . 18729 10 >> 158 1 . 1 . . 3.378 . 1 1 1 9 PHE HB2 . . . . . . 215 . 18729 10 >> 158 2 . 1 . . 8.431 . 1 1 1 9 PHE H . . . . . . 36 . 18729 10 >> 159 2 . 1 . . 8.124 . 1 1 1 12 ASP H . . . . . . 14 . 18729 10 >> 166 1 . 1 . . 6.936 . 1 1 1 10 CYS H . . . . . . 9 . 18729 10 >> 187 2 . 1 . . 8.740 . 1 1 1 14 GLU H . . . . . . 48 . 18729 10 >> 193 1 . 1 . . 7.452 . 1 1 1 15 LYS H . . . . . . 18 . 18729 10 >> 194 1 . 1 . . 7.928 . 1 1 1 16 MET H . . . . . . 38 . 18729 10 >> 195 2 . 1 . . 7.933 . 1 1 1 16 MET H . . . . . . 38 . 18729 10 >> 200 1 . 1 . . 8.609 . 1 1 1 18 ASP H . . . . . . 56 . 18729 10 >> 201 1 . 1 . . 8.611 . 1 1 1 18 ASP H . . . . . . 56 . 18729 10 >> 202 2 . 1 . . 8.604 . 1 1 1 18 ASP H . . . . . . 56 . 18729 10 >> 203 1 . 1 . . 8.225 . 1 1 1 19 TRP H . . . . . . 46 . 18729 10 >> 204 1 . 1 . . 8.225 . 1 1 1 19 TRP H . . . . . . 46 . 18729 10 >> 211 2 . 1 . . 9.448 . 1 1 1 20 CYS H . . . . . . 30 . 18729 10 >> 213 1 . 1 . . 9.264 . 1 1 1 21 CYS H . . . . . . 3 . 18729 10 >> 213 1 . 2 . . 9.264 . 1 1 1 26 ARG H . . . . . . 26 . 18729 10 >> 214 2 . 1 . . 9.260 . 1 1 1 21 CYS H . . . . . . 3 . 18729 10 >> 215 1 . 1 . . 8.887 . 1 1 1 22 GLY H . . . . . . 16 . 18729 10 >> 216 1 . 1 . . 8.878 . 1 1 1 22 GLY H . . . . . . 16 . 18729 10 >> 217 1 . 1 . . 8.995 . 1 1 1 5 GLU H . . . . . . 5 . 18729 10 >> 218 2 . 1 . . 9.262 . 1 1 1 21 CYS H . . . . . . 3 . 18729 10 >> 221 1 . 1 . . 9.152 . 1 1 1 23 ARG H . . . . . . 52 . 18729 10 >> 222 1 . 1 . . 10.614 . 1 1 1 24 CYS H . . . . . . 40 . 18729 10 >> 222 2 . 1 . . 4.857 . 1 1 1 23 ARG HA . . . . . . 182 . 18729 10 >> 223 1 . 1 . . 10.617 . 1 1 1 24 CYS H . . . . . . 40 . 18729 10 >> 224 2 . 1 . . 10.614 . 1 1 1 24 CYS H . . . . . . 40 . 18729 10 >> 225 2 . 1 . . 10.616 . 1 1 1 24 CYS H . . . . . . 40 . 18729 10 >> 226 2 . 1 . . 8.744 . 1 1 1 25 ILE H . . . . . . 12 . 18729 10 >> 232 1 . 1 . . 8.762 . 1 1 1 25 ILE H . . . . . . 12 . 18729 10 >> 233 1 . 1 . . 7.863 . 1 1 1 28 GLU H . . . . . . 22 . 18729 10 >> 233 2 . 1 . . 8.763 . 1 1 1 25 ILE H . . . . . . 12 . 18729 10 >> 234 1 . 1 . . 8.764 . 1 1 1 25 ILE H . . . . . . 12 . 18729 10 >> 234 2 . 1 . . 7.870 . 1 1 1 28 GLU H . . . . . . 22 . 18729 10 >> 240 2 . 1 . . 7.999 . 1 1 1 27 ASN HD22 . . . . . . 34 . 18729 10 >> 241 2 . 1 . . 7.999 . 1 1 1 27 ASN HD22 . . . . . . 34 . 18729 10 >> 242 1 . 1 . . 7.876 . 1 1 1 28 GLU H . . . . . . 22 . 18729 10 >> 243 1 . 1 . . 7.879 . 1 1 1 28 GLU H . . . . . . 22 . 18729 10 >> 244 1 . 1 . . 7.865 . 1 1 1 28 GLU H . . . . . . 22 . 18729 10 >> 245 2 . 1 . . 7.870 . 1 1 1 28 GLU H . . . . . . 22 . 18729 10 >> 250 1 . 1 . . 8.995 . 1 1 1 29 CYS H . . . . . . 61 . 18729 10 >> 251 2 . 1 . . 8.989 . 1 1 1 29 CYS H . . . . . . 61 . 18729 10 >> 253 2 . 1 . . 9.610 . 1 1 1 30 ARG H . . . . . . 59 . 18729 10 >> 260 1 . 1 . . 7.296 . 1 1 1 9 PHE QD . . . . . . 303 . 18729 10 >> 260 2 . 1 . . 2.868 . 1 1 1 9 PHE HB3 . . . . . . 214 . 18729 10 >> 261 1 . 1 . . 7.297 . 1 1 1 9 PHE QD . . . . . . 303 . 18729 10 >> 261 2 . 1 . . 3.377 . 1 1 1 9 PHE HB2 . . . . . . 215 . 18729 10 >> 262 1 . 1 . . 7.627 . 1 1 1 19 TRP HE3 . . . . . . 309 . 18729 10 >> 262 2 . 1 . . 7.505 . 1 1 1 19 TRP HZ2 . . . . . . 306 . 18729 10 >> 263 1 . 1 . . 7.558 . 1 1 1 19 TRP HZ2 . . . . . . 306 . 18729 10 >> 263 2 . 1 . . 7.343 . 1 1 1 19 TRP HH2 . . . . . . 311 . 18729 10 >> 264 1 . 1 . . 7.346 . 1 1 1 19 TRP HH2 . . . . . . 311 . 18729 10 >> 264 2 . 1 . . 7.557 . 1 1 1 19 TRP HZ2 . . . . . . 306 . 18729 10 >> 265 1 . 1 . . 7.351 . 1 1 1 19 TRP HH2 . . . . . . 311 . 18729 10 >> 265 2 . 1 . . 7.222 . 1 1 1 19 TRP HZ3 . . . . . . 312 . 18729 10 >> 266 1 . 1 . . 7.237 . 1 1 1 19 TRP HZ3 . . . . . . 312 . 18729 10 >> 266 2 . 1 . . 7.363 . 1 1 1 19 TRP HH2 . . . . . . 311 . 18729 10 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5_6_7_8_9_10_11 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '2D 1H-13C HSQC/HMQC' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 C 13C stop_ _Sample_label $13C_15N _Sample_conditions_label $Standard _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4_5_6_7_8_9_10_11 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11 >> _Spectral_peak_list.Entry_ID 18729 >> _Spectral_peak_list.ID 11 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $13C_15N >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Standard >> _Spectral_peak_list.Experiment_ID 11 >> _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC/HMQC' >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . 5937.5000000 . . . 18729 11 >> 2 C 13 13C . 11904.7619048 . . . 18729 11 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18729 11 >> 2 1.0 . 18729 11 >> 3 1.0 . 18729 11 >> 4 1.0 . 18729 11 >> 5 1.0 . 18729 11 >> 6 1.0 . 18729 11 >> 7 1.0 . 18729 11 >> 8 1.0 . 18729 11 >> 9 1.0 . 18729 11 >> 10 1.0 . 18729 11 >> 11 1.0 . 18729 11 >> 12 1.0 . 18729 11 >> 13 1.0 . 18729 11 >> 14 1.0 . 18729 11 >> 15 1.0 . 18729 11 >> 16 1.0 . 18729 11 >> 17 1.0 . 18729 11 >> 18 1.0 . 18729 11 >> 19 1.0 . 18729 11 >> 20 1.0 . 18729 11 >> 21 1.0 . 18729 11 >> 22 1.0 . 18729 11 >> 23 1.0 . 18729 11 >> 24 1.0 . 18729 11 >> 25 1.0 . 18729 11 >> 26 1.0 . 18729 11 >> 27 1.0 . 18729 11 >> 28 1.0 . 18729 11 >> 29 1.0 . 18729 11 >> 30 1.0 . 18729 11 >> 31 1.0 . 18729 11 >> 32 1.0 . 18729 11 >> 33 1.0 . 18729 11 >> 34 1.0 . 18729 11 >> 35 1.0 . 18729 11 >> 36 1.0 . 18729 11 >> 37 1.0 . 18729 11 >> 38 1.0 . 18729 11 >> 39 1.0 . 18729 11 >> 40 1.0 . 18729 11 >> 41 1.0 . 18729 11 >> 42 1.0 . 18729 11 >> 43 1.0 . 18729 11 >> 44 1.0 . 18729 11 >> 45 1.0 . 18729 11 >> 46 1.0 . 18729 11 >> 47 1.0 . 18729 11 >> 48 1.0 . 18729 11 >> 49 1.0 . 18729 11 >> 50 1.0 . 18729 11 >> 51 1.0 . 18729 11 >> 52 1.0 . 18729 11 >> 53 1.0 . 18729 11 >> 54 1.0 . 18729 11 >> 55 1.0 . 18729 11 >> 56 1.0 . 18729 11 >> 57 1.0 . 18729 11 >> 58 1.0 . 18729 11 >> 59 1.0 . 18729 11 >> 60 1.0 . 18729 11 >> 61 1.0 . 18729 11 >> 62 1.0 . 18729 11 >> 63 1.0 . 18729 11 >> 64 1.0 . 18729 11 >> 65 1.0 . 18729 11 >> 66 1.0 . 18729 11 >> 67 1.0 . 18729 11 >> 68 1.0 . 18729 11 >> 69 1.0 . 18729 11 >> 70 1.0 . 18729 11 >> 71 1.0 . 18729 11 >> 72 1.0 . 18729 11 >> 73 1.0 . 18729 11 >> 74 1.0 . 18729 11 >> 75 1.0 . 18729 11 >> 76 1.0 . 18729 11 >> 77 1.0 . 18729 11 >> 78 1.0 . 18729 11 >> 79 1.0 . 18729 11 >> 80 1.0 . 18729 11 >> 81 1.0 . 18729 11 >> 82 1.0 . 18729 11 >> 83 1.0 . 18729 11 >> 84 1.0 . 18729 11 >> 85 1.0 . 18729 11 >> 86 1.0 . 18729 11 >> 87 1.0 . 18729 11 >> 88 1.0 . 18729 11 >> 89 1.0 . 18729 11 >> 90 1.0 . 18729 11 >> 91 1.0 . 18729 11 >> 92 1.0 . 18729 11 >> 93 1.0 . 18729 11 >> 94 1.0 . 18729 11 >> 95 1.0 . 18729 11 >> 96 1.0 . 18729 11 >> 97 1.0 . 18729 11 >> 98 1.0 . 18729 11 >> 99 1.0 . 18729 11 >> 100 1.0 . 18729 11 >> 101 1.0 . 18729 11 >> 102 1.0 . 18729 11 >> 103 1.0 . 18729 11 >> 104 1.0 . 18729 11 >> 105 1.0 . 18729 11 >> 106 1.0 . 18729 11 >> 107 1.0 . 18729 11 >> 108 1.0 . 18729 11 >> 109 1.0 . 18729 11 >> 110 1.0 . 18729 11 >> 111 1.0 . 18729 11 >> 112 1.0 . 18729 11 >> 113 1.0 . 18729 11 >> 114 1.0 . 18729 11 >> 115 1.0 . 18729 11 >> 116 1.0 . 18729 11 >> 117 1.0 . 18729 11 >> 118 1.0 . 18729 11 >> 119 1.0 . 18729 11 >> 120 1.0 . 18729 11 >> 121 1.0 . 18729 11 >> 122 1.0 . 18729 11 >> 123 1.0 . 18729 11 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 4065877.5000000 . height 18729 11 >> 1 23710928.2500000 . volume 18729 11 >> 2 2864467.0000000 . height 18729 11 >> 2 20785371.7500000 . volume 18729 11 >> 3 2139743.2500000 . height 18729 11 >> 3 15916847.0000000 . volume 18729 11 >> 4 2211720.7500000 . height 18729 11 >> 4 16149510.5000000 . volume 18729 11 >> 5 2319370.7500000 . height 18729 11 >> 5 16936871.1250000 . volume 18729 11 >> 6 234138.3125000 . height 18729 11 >> 6 1778353.4531200 . volume 18729 11 >> 7 318866.5625000 . height 18729 11 >> 7 2405677.6093800 . volume 18729 11 >> 8 381906.5312500 . height 18729 11 >> 8 2944939.4218800 . volume 18729 11 >> 9 439194.3750000 . height 18729 11 >> 9 3405133.1875000 . volume 18729 11 >> 10 406209.8125000 . height 18729 11 >> 10 3307658.9375000 . volume 18729 11 >> 11 651449.5000000 . height 18729 11 >> 11 5043302.1562500 . volume 18729 11 >> 12 824501.7500000 . height 18729 11 >> 12 6353909.1250000 . volume 18729 11 >> 13 823631.1250000 . height 18729 11 >> 13 6284381.0625000 . volume 18729 11 >> 14 382715.0937500 . height 18729 11 >> 14 3023560.5625000 . volume 18729 11 >> 15 537672.8750000 . height 18729 11 >> 15 4163095.7500000 . volume 18729 11 >> 16 380153.6562500 . height 18729 11 >> 16 2954022.4062500 . volume 18729 11 >> 17 585865.9375000 . height 18729 11 >> 17 4604700.2500000 . volume 18729 11 >> 18 438002.1250000 . height 18729 11 >> 18 3302386.6250000 . volume 18729 11 >> 19 304704.3437500 . height 18729 11 >> 19 2438065.5000000 . volume 18729 11 >> 20 318123.6250000 . height 18729 11 >> 20 2465794.2656200 . volume 18729 11 >> 21 665183.8125000 . height 18729 11 >> 21 5118443.9062500 . volume 18729 11 >> 22 498721.1250000 . height 18729 11 >> 22 3829399.0625000 . volume 18729 11 >> 23 408791.2500000 . height 18729 11 >> 23 3161349.6562500 . volume 18729 11 >> 24 221710.3750000 . height 18729 11 >> 24 1751719.7187500 . volume 18729 11 >> 25 347992.1562500 . height 18729 11 >> 25 2668804.2343800 . volume 18729 11 >> 26 962849.2500000 . height 18729 11 >> 26 7601898.7500000 . volume 18729 11 >> 27 486043.5000000 . height 18729 11 >> 27 3872995.0937500 . volume 18729 11 >> 28 396765.8750000 . height 18729 11 >> 28 3094456.8125000 . volume 18729 11 >> 29 511572.4375000 . height 18729 11 >> 29 4636317.2187500 . volume 18729 11 >> 30 272592.5000000 . height 18729 11 >> 30 2282624.2500000 . volume 18729 11 >> 31 790077.8125000 . height 18729 11 >> 31 6045821.3750000 . volume 18729 11 >> 32 186851.8437500 . height 18729 11 >> 32 1455312.9218800 . volume 18729 11 >> 33 204841.9375000 . height 18729 11 >> 33 1633282.2343800 . volume 18729 11 >> 34 144648.5625000 . height 18729 11 >> 34 1178503.1875000 . volume 18729 11 >> 35 580474.1250000 . height 18729 11 >> 35 4407273.1875000 . volume 18729 11 >> 36 182978.7656250 . height 18729 11 >> 36 1496183.6718800 . volume 18729 11 >> 37 103586.3828120 . height 18729 11 >> 37 851443.9843750 . volume 18729 11 >> 38 15807.8750000 . height 18729 11 >> 38 131052.0000000 . volume 18729 11 >> 39 48865.5156250 . height 18729 11 >> 39 339540.9296880 . volume 18729 11 >> 40 60980.3515625 . height 18729 11 >> 40 462042.5859380 . volume 18729 11 >> 41 91596.0156250 . height 18729 11 >> 41 670793.5390620 . volume 18729 11 >> 42 41781.2421875 . height 18729 11 >> 42 522363.3203120 . volume 18729 11 >> 43 37077.0156250 . height 18729 11 >> 43 292241.4531250 . volume 18729 11 >> 44 34700.8515625 . height 18729 11 >> 44 272699.9453120 . volume 18729 11 >> 45 6708.4921875 . height 18729 11 >> 45 48008.3437500 . volume 18729 11 >> 46 229871.3437500 . height 18729 11 >> 46 1851897.2500000 . volume 18729 11 >> 47 199025.6718750 . height 18729 11 >> 47 1605352.2500000 . volume 18729 11 >> 48 180006.3281250 . height 18729 11 >> 48 1457394.0781200 . volume 18729 11 >> 49 143201.3437500 . height 18729 11 >> 49 1160270.8906200 . volume 18729 11 >> 50 83158.7265625 . height 18729 11 >> 50 675771.4140620 . volume 18729 11 >> 51 99978.4062500 . height 18729 11 >> 51 810522.0468750 . volume 18729 11 >> 52 78094.1484375 . height 18729 11 >> 52 651993.0078120 . volume 18729 11 >> 53 92564.5859375 . height 18729 11 >> 53 757362.3046880 . volume 18729 11 >> 54 29753.8515625 . height 18729 11 >> 54 244536.6171880 . volume 18729 11 >> 55 43659.0937500 . height 18729 11 >> 55 342596.3750000 . volume 18729 11 >> 56 32303.9062500 . height 18729 11 >> 56 264487.7109380 . volume 18729 11 >> 57 20026.3125000 . height 18729 11 >> 57 144863.9921880 . volume 18729 11 >> 58 336.4921875 . height 18729 11 >> 58 287.4843750 . volume 18729 11 >> 59 6371.4921875 . height 18729 11 >> 59 56776.4687500 . volume 18729 11 >> 60 8189.7578125 . height 18729 11 >> 60 61612.2187500 . volume 18729 11 >> 61 7389.8984375 . height 18729 11 >> 61 38312.5468750 . volume 18729 11 >> 62 -2840.4140625 . height 18729 11 >> 62 -5646.0312500 . volume 18729 11 >> 63 -795.7265625 . height 18729 11 >> 63 -12692.9375000 . volume 18729 11 >> 64 -4203.3437500 . height 18729 11 >> 64 -29816.4453125 . volume 18729 11 >> 65 6090.7343750 . height 18729 11 >> 65 44194.7890625 . volume 18729 11 >> 66 6562.8046875 . height 18729 11 >> 66 58568.8906250 . volume 18729 11 >> 67 50303.8593750 . height 18729 11 >> 67 408419.0546880 . volume 18729 11 >> 68 491648.6250000 . height 18729 11 >> 68 3622823.6562500 . volume 18729 11 >> 69 377919.5937500 . height 18729 11 >> 69 2792880.4843800 . volume 18729 11 >> 70 330357.3437500 . height 18729 11 >> 70 2446528.1093800 . volume 18729 11 >> 71 347083.1875000 . height 18729 11 >> 71 2576285.0468800 . volume 18729 11 >> 72 358857.5000000 . height 18729 11 >> 72 2639112.7031200 . volume 18729 11 >> 73 270480.5000000 . height 18729 11 >> 73 2024091.5468800 . volume 18729 11 >> 74 254534.8593750 . height 18729 11 >> 74 2388385.8906200 . volume 18729 11 >> 75 225975.5937500 . height 18729 11 >> 75 1777738.6875000 . volume 18729 11 >> 76 267592.2812500 . height 18729 11 >> 76 2160871.1562500 . volume 18729 11 >> 77 462910.3750000 . height 18729 11 >> 77 3796674.4062500 . volume 18729 11 >> 78 220433.9843750 . height 18729 11 >> 78 2009157.8984400 . volume 18729 11 >> 79 168090.1875000 . height 18729 11 >> 79 1448375.0156200 . volume 18729 11 >> 80 105981.5546880 . height 18729 11 >> 80 910943.6796880 . volume 18729 11 >> 81 39022.9453125 . height 18729 11 >> 81 316749.5156250 . volume 18729 11 >> 82 45032.2890625 . height 18729 11 >> 82 385064.8203120 . volume 18729 11 >> 83 2201804.0000000 . height 18729 11 >> 83 17185285.8750000 . volume 18729 11 >> 84 1067945.6250000 . height 18729 11 >> 84 10106800.1250000 . volume 18729 11 >> 85 962565.1250000 . height 18729 11 >> 85 7128124.5625000 . volume 18729 11 >> 86 1888428.0000000 . height 18729 11 >> 86 13828911.6250000 . volume 18729 11 >> 87 372562.1875000 . height 18729 11 >> 87 2848592.6875000 . volume 18729 11 >> 88 316787.1250000 . height 18729 11 >> 88 2483771.3281200 . volume 18729 11 >> 89 360898.9687500 . height 18729 11 >> 89 3290678.0937500 . volume 18729 11 >> 90 234306.9687500 . height 18729 11 >> 90 1868602.1562500 . volume 18729 11 >> 91 301504.2812500 . height 18729 11 >> 91 2492390.1406200 . volume 18729 11 >> 92 300569.2187500 . height 18729 11 >> 92 2492745.0000000 . volume 18729 11 >> 93 285449.2500000 . height 18729 11 >> 93 2256951.9375000 . volume 18729 11 >> 94 319719.7187500 . height 18729 11 >> 94 2524802.0781200 . volume 18729 11 >> 95 352006.5312500 . height 18729 11 >> 95 2718231.7343800 . volume 18729 11 >> 96 290216.3437500 . height 18729 11 >> 96 2361519.2656200 . volume 18729 11 >> 97 238177.2187500 . height 18729 11 >> 97 1806345.7031200 . volume 18729 11 >> 98 181967.4062500 . height 18729 11 >> 98 1531076.8828100 . volume 18729 11 >> 99 314706.5625000 . height 18729 11 >> 99 2473492.7968800 . volume 18729 11 >> 100 255456.6718750 . height 18729 11 >> 100 2094697.9140600 . volume 18729 11 >> 101 352774.7812500 . height 18729 11 >> 101 2833875.1406200 . volume 18729 11 >> 102 441206.5000000 . height 18729 11 >> 102 3568379.7812500 . volume 18729 11 >> 103 327837.3125000 . height 18729 11 >> 103 2757812.1718800 . volume 18729 11 >> 104 316640.4062500 . height 18729 11 >> 104 2741562.2187500 . volume 18729 11 >> 105 297288.2812500 . height 18729 11 >> 105 2357045.1562500 . volume 18729 11 >> 106 331109.2812500 . height 18729 11 >> 106 2467311.6406200 . volume 18729 11 >> 107 325273.5625000 . height 18729 11 >> 107 2463218.2656200 . volume 18729 11 >> 108 336949.3437500 . height 18729 11 >> 108 2495505.2031200 . volume 18729 11 >> 109 403031.5625000 . height 18729 11 >> 109 3252817.0000000 . volume 18729 11 >> 110 404225.0000000 . height 18729 11 >> 110 3375127.4375000 . volume 18729 11 >> 111 1485225.1250000 . height 18729 11 >> 111 12008176.8750000 . volume 18729 11 >> 112 526204.4375000 . height 18729 11 >> 112 4323276.1875000 . volume 18729 11 >> 113 554110.5625000 . height 18729 11 >> 113 4530289.5312500 . volume 18729 11 >> 114 578091.9375000 . height 18729 11 >> 114 4715107.2500000 . volume 18729 11 >> 115 338961.9687500 . height 18729 11 >> 115 2703867.5156200 . volume 18729 11 >> 116 406209.8125000 . height 18729 11 >> 116 3307658.9375000 . volume 18729 11 >> 117 561558.5000000 . height 18729 11 >> 117 4451264.0937500 . volume 18729 11 >> 118 317588.4062500 . height 18729 11 >> 118 2588002.1093800 . volume 18729 11 >> 119 530068.3750000 . height 18729 11 >> 119 4195513.3125000 . volume 18729 11 >> 120 932254.4375000 . height 18729 11 >> 120 7221723.3125000 . volume 18729 11 >> 121 387782.6875000 . height 18729 11 >> 121 3000447.4062500 . volume 18729 11 >> 122 1006920.0000000 . height 18729 11 >> 122 8933922.6250000 . volume 18729 11 >> 123 1535391.8750000 . height 18729 11 >> 123 12401783.8125000 . volume 18729 11 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 2.199 . 13.1163001060 . . . . . . . . . . 1 18729 11 >> 1 2 17.348 . 48.9027727218 . . . . . . . . . . 1 18729 11 >> 2 1 0.883 . 17.4695253372 . . . . . . . . . . 1 18729 11 >> 2 2 16.986 . 70.2738761902 . . . . . . . . . . 1 18729 11 >> 3 1 0.788 . 19.5285677910 . . . . . . . . . . 1 18729 11 >> 3 2 12.114 . 74.7193892797 . . . . . . . . . . 1 18729 11 >> 4 1 1.191 . 17.5920128822 . . . . . . . . . . 1 18729 11 >> 4 2 22.201 . 71.7029685066 . . . . . . . . . . 1 18729 11 >> 5 1 0.969 . 18.2920694351 . . . . . . . . . . 1 18729 11 >> 5 2 22.121 . 70.9054015932 . . . . . . . . . . 1 18729 11 >> 6 1 0.812 . 37.3664498329 . . . . . . . . . . 1 18729 11 >> 6 2 25.903 . 76.0938440050 . . . . . . . . . . 1 18729 11 >> 7 1 0.711 . 28.9970636368 . . . . . . . . . . 1 18729 11 >> 7 2 25.894 . 76.6593785513 . . . . . . . . . . 1 18729 11 >> 8 1 1.494 . 32.6240062714 . . . . . . . . . . 1 18729 11 >> 8 2 25.385 . 82.0046379453 . . . . . . . . . . 1 18729 11 >> 9 1 1.400 . 35.0844860077 . . . . . . . . . . 1 18729 11 >> 9 2 25.357 . 82.5879119691 . . . . . . . . . . 1 18729 11 >> 10 1 1.821 . 53.9454817772 . . . . . . . . . . 1 18729 11 >> 10 2 27.746 . 105.2504494080 . . . . . . . . . . 1 18729 11 >> 11 1 1.976 . 34.5852971077 . . . . . . . . . . 1 18729 11 >> 11 2 27.767 . 83.7324630646 . . . . . . . . . . 1 18729 11 >> 12 1 1.704 . 37.4945998192 . . . . . . . . . . 1 18729 11 >> 12 2 29.052 . 80.9558800289 . . . . . . . . . . 1 18729 11 >> 13 1 2.074 . 27.0402431488 . . . . . . . . . . 1 18729 11 >> 13 2 29.055 . 80.2477200826 . . . . . . . . . . 1 18729 11 >> 14 1 2.015 . 93.2613015175 . . . . . . . . . . 1 18729 11 >> 14 2 30.625 . 89.0961715153 . . . . . . . . . . 1 18729 11 >> 15 1 1.922 . 36.9244813919 . . . . . . . . . . 1 18729 11 >> 15 2 30.436 . 83.2180182139 . . . . . . . . . . 1 18729 11 >> 16 1 2.207 . 82.6820731163 . . . . . . . . . . 1 18729 11 >> 16 2 30.614 . 82.9973391124 . . . . . . . . . . 1 18729 11 >> 17 1 2.133 . 35.3559851646 . . . . . . . . . . 1 18729 11 >> 17 2 30.453 . 90.7885176795 . . . . . . . . . . 1 18729 11 >> 18 1 1.672 . 29.0846824646 . . . . . . . . . . 1 18729 11 >> 18 2 32.588 . 75.4459982827 . . . . . . . . . . 1 18729 11 >> 19 1 2.134 . 34.6401333809 . . . . . . . . . . 1 18729 11 >> 19 2 32.445 . 97.4890731630 . . . . . . . . . . 1 18729 11 >> 20 1 1.948 . 38.7793779373 . . . . . . . . . . 1 18729 11 >> 20 2 32.573 . 84.2575516020 . . . . . . . . . . 1 18729 11 >> 21 1 2.016 . 41.6448712349 . . . . . . . . . . 1 18729 11 >> 21 2 32.091 . 82.4183225632 . . . . . . . . . . 1 18729 11 >> 22 1 2.533 . 56.2864542007 . . . . . . . . . . 1 18729 11 >> 22 2 32.912 . 77.9536508379 . . . . . . . . . . 1 18729 11 >> 23 1 2.484 . 61.0828399658 . . . . . . . . . . 1 18729 11 >> 23 2 32.911 . 77.8316032319 . . . . . . . . . . 1 18729 11 >> 24 1 2.286 . 34.2959165573 . . . . . . . . . . 1 18729 11 >> 24 2 34.014 . 92.1459425063 . . . . . . . . . . 1 18729 11 >> 25 1 2.076 . 29.1272997856 . . . . . . . . . . 1 18729 11 >> 25 2 34.393 . 81.4320076080 . . . . . . . . . . 1 18729 11 >> 26 1 1.896 . 35.2120399475 . . . . . . . . . . 1 18729 11 >> 26 2 34.072 . 89.5722990944 . . . . . . . . . . 1 18729 11 >> 27 1 1.763 . 39.2606854439 . . . . . . . . . . 1 18729 11 >> 27 2 34.344 . 100.1450277510 . . . . . . . . . . 1 18729 11 >> 28 1 1.803 . 70.7766413689 . . . . . . . . . . 1 18729 11 >> 28 2 34.117 . 86.8063597452 . . . . . . . . . . 1 18729 11 >> 29 1 1.888 . 37.5175476074 . . . . . . . . . . 1 18729 11 >> 29 2 33.868 . 123.1871900100 . . . . . . . . . . 1 18729 11 >> 30 1 1.729 . 79.0244340897 . . . . . . . . . . 1 18729 11 >> 30 2 33.985 . 167.1732891170 . . . . . . . . . . 1 18729 11 >> 31 1 1.650 . 29.1234254837 . . . . . . . . . . 1 18729 11 >> 31 2 34.603 . 80.1341874259 . . . . . . . . . . 1 18729 11 >> 32 1 3.615 . 36.7116928101 . . . . . . . . . . 1 18729 11 >> 32 2 30.236 . 94.8934327988 . . . . . . . . . . 1 18729 11 >> 33 1 3.031 . 38.7191772461 . . . . . . . . . . 1 18729 11 >> 33 2 30.235 . 95.4142638615 . . . . . . . . . . 1 18729 11 >> 34 1 4.184 . 21.0373103619 . . . . . . . . . . 1 18729 11 >> 34 2 63.941 . 107.0430236200 . . . . . . . . . . 1 18729 11 >> 35 1 3.891 . 32.2461128235 . . . . . . . . . . 1 18729 11 >> 35 2 64.201 . 74.0823646386 . . . . . . . . . . 1 18729 11 >> 36 1 4.073 . 20.5531716347 . . . . . . . . . . 1 18729 11 >> 36 2 60.988 . 107.0366374080 . . . . . . . . . . 1 18729 11 >> 37 1 4.282 . 27.2344052792 . . . . . . . . . . 1 18729 11 >> 37 2 60.365 . 111.0789321720 . . . . . . . . . . 1 18729 11 >> 38 1 7.549 . 81.7394629121 . . . . . . . . . . 1 18729 11 >> 38 2 114.542 . 128.2791296640 . . . . . . . . . . 1 18729 11 >> 39 1 7.620 . 30.6935235858 . . . . . . . . . . 1 18729 11 >> 39 2 121.011 . 83.5568422363 . . . . . . . . . . 1 18729 11 >> 40 1 7.236 . 25.9929150343 . . . . . . . . . . 1 18729 11 >> 40 2 122.221 . 159.3984308700 . . . . . . . . . . 1 18729 11 >> 41 1 7.339 . 23.8093361259 . . . . . . . . . . 1 18729 11 >> 41 2 125.008 . 99.0128942898 . . . . . . . . . . 1 18729 11 >> 42 1 6.878 . 22.0418721437 . . . . . . . . . . 1 18729 11 >> 42 2 124.644 . 144.8116132190 . . . . . . . . . . 1 18729 11 >> 43 1 7.341 . 98.6939296126 . . . . . . . . . . 1 18729 11 >> 43 2 131.692 . 127.5021405450 . . . . . . . . . . 1 18729 11 >> 44 1 7.228 . 118.0078461770 . . . . . . . . . . 1 18729 11 >> 44 2 131.684 . 131.7149116880 . . . . . . . . . . 1 18729 11 >> 45 1 7.290 . 27.9502198100 . . . . . . . . . . 1 18729 11 >> 45 2 127.337 . 106.2090907780 . . . . . . . . . . 1 18729 11 >> 46 1 3.773 . 25.9247422218 . . . . . . . . . . 1 18729 11 >> 46 2 57.660 . 104.2123351780 . . . . . . . . . . 1 18729 11 >> 47 1 4.090 . 21.8361616135 . . . . . . . . . . 1 18729 11 >> 47 2 58.787 . 102.5097001170 . . . . . . . . . . 1 18729 11 >> 48 1 4.093 . 21.8763947487 . . . . . . . . . . 1 18729 11 >> 48 2 56.227 . 102.0850170230 . . . . . . . . . . 1 18729 11 >> 49 1 4.087 . 24.7052311897 . . . . . . . . . . 1 18729 11 >> 49 2 54.278 . 106.0646914300 . . . . . . . . . . 1 18729 11 >> 50 1 4.396 . 22.0459699631 . . . . . . . . . . 1 18729 11 >> 50 2 52.556 . 106.6543516660 . . . . . . . . . . 1 18729 11 >> 51 1 4.454 . 23.7698853016 . . . . . . . . . . 1 18729 11 >> 51 2 56.343 . 105.3277935300 . . . . . . . . . . 1 18729 11 >> 52 1 4.407 . 25.5554914474 . . . . . . . . . . 1 18729 11 >> 52 2 57.351 . 115.1224686990 . . . . . . . . . . 1 18729 11 >> 53 1 4.327 . 29.0048122406 . . . . . . . . . . 1 18729 11 >> 53 2 57.434 . 108.6709754810 . . . . . . . . . . 1 18729 11 >> 54 1 4.547 . 31.0970842838 . . . . . . . . . . 1 18729 11 >> 54 2 57.166 . 100.8106129510 . . . . . . . . . . 1 18729 11 >> 55 1 4.548 . 26.6276299953 . . . . . . . . . . 1 18729 11 >> 55 2 54.901 . 101.6017936520 . . . . . . . . . . 1 18729 11 >> 56 1 5.253 . 28.2721221447 . . . . . . . . . . 1 18729 11 >> 56 2 53.566 . 107.2326586360 . . . . . . . . . . 1 18729 11 >> 57 1 5.033 . 16.9441103935 . . . . . . . . . . 1 18729 11 >> 57 2 54.771 . 85.0508610408 . . . . . . . . . . 1 18729 11 >> 58 1 4.863 . 10.7677280903 . . . . . . . . . . 1 18729 11 >> 58 2 55.769 . 156.8936166310 . . . . . . . . . . 1 18729 11 >> 59 1 4.835 . 172.6621389390 . . . . . . . . . . 1 18729 11 >> 59 2 55.339 . 104.8495372140 . . . . . . . . . . 1 18729 11 >> 60 1 4.787 . 182.8704774380 . . . . . . . . . . 1 18729 11 >> 60 2 55.035 . 86.6839573497 . . . . . . . . . . 1 18729 11 >> 61 1 4.840 . 160.7558131220 . . . . . . . . . . 1 18729 11 >> 61 2 54.276 . 39.2996839115 . . . . . . . . . . 1 18729 11 >> 62 1 4.809 . 155.7061076160 . . . . . . . . . . 1 18729 11 >> 62 2 54.086 . 112.6953533720 . . . . . . . . . . 1 18729 11 >> 63 1 4.738 . 183.7342977520 . . . . . . . . . . 1 18729 11 >> 63 2 53.871 . 117.2409171150 . . . . . . . . . . 1 18729 11 >> 64 1 4.860 . 158.3695411680 . . . . . . . . . . 1 18729 11 >> 64 2 53.592 . 71.1076316379 . . . . . . . . . . 1 18729 11 >> 65 1 4.678 . 18.8851356506 . . . . . . . . . . 1 18729 11 >> 65 2 56.739 . 68.7951133365 . . . . . . . . . . 1 18729 11 >> 66 1 4.692 . 174.5168864730 . . . . . . . . . . 1 18729 11 >> 66 2 58.647 . 189.9986749600 . . . . . . . . . . 1 18729 11 >> 67 1 4.496 . 23.0443477631 . . . . . . . . . . 1 18729 11 >> 67 2 50.183 . 104.8850161690 . . . . . . . . . . 1 18729 11 >> 68 1 3.838 . 33.6024165154 . . . . . . . . . . 1 18729 11 >> 68 2 51.766 . 69.1633848917 . . . . . . . . . . 1 18729 11 >> 69 1 2.663 . 25.0083208084 . . . . . . . . . . 1 18729 11 >> 69 2 49.750 . 70.6290205320 . . . . . . . . . . 1 18729 11 >> 70 1 2.404 . 28.7178158760 . . . . . . . . . . 1 18729 11 >> 70 2 49.752 . 70.1426040559 . . . . . . . . . . 1 18729 11 >> 71 1 3.019 . 29.9590826035 . . . . . . . . . . 1 18729 11 >> 71 2 46.706 . 71.0203534081 . . . . . . . . . . 1 18729 11 >> 72 1 2.936 . 28.8581848145 . . . . . . . . . . 1 18729 11 >> 72 2 46.708 . 70.1841144335 . . . . . . . . . . 1 18729 11 >> 73 1 3.516 . 34.9026918411 . . . . . . . . . . 1 18729 11 >> 73 2 46.148 . 104.3982449030 . . . . . . . . . . 1 18729 11 >> 74 1 3.752 . 43.2711839676 . . . . . . . . . . 1 18729 11 >> 74 2 46.064 . 108.7632207640 . . . . . . . . . . 1 18729 11 >> 75 1 3.569 . 34.1585278511 . . . . . . . . . . 1 18729 11 >> 75 2 44.761 . 103.2771099180 . . . . . . . . . . 1 18729 11 >> 76 1 3.792 . 57.2341680527 . . . . . . . . . . 1 18729 11 >> 76 2 44.694 . 111.0111673670 . . . . . . . . . . 1 18729 11 >> 77 1 3.820 . 44.7040796280 . . . . . . . . . . 1 18729 11 >> 77 2 44.713 . 109.9624094510 . . . . . . . . . . 1 18729 11 >> 78 1 3.798 . 39.5697355270 . . . . . . . . . . 1 18729 11 >> 78 2 44.398 . 136.3023405980 . . . . . . . . . . 1 18729 11 >> 79 1 4.263 . 34.1930985451 . . . . . . . . . . 1 18729 11 >> 79 2 44.776 . 103.3196846640 . . . . . . . . . . 1 18729 11 >> 80 1 4.237 . 56.0748577118 . . . . . . . . . . 1 18729 11 >> 80 2 44.705 . 103.6006779900 . . . . . . . . . . 1 18729 11 >> 81 1 4.483 . 39.8145616055 . . . . . . . . . . 1 18729 11 >> 81 2 44.761 . 96.1997679302 . . . . . . . . . . 1 18729 11 >> 82 1 4.381 . 41.8144464493 . . . . . . . . . . 1 18729 11 >> 82 2 44.519 . 101.3779214450 . . . . . . . . . . 1 18729 11 >> 83 1 3.205 . 26.7615914345 . . . . . . . . . . 1 18729 11 >> 83 2 43.814 . 87.4634299959 . . . . . . . . . . 1 18729 11 >> 84 1 3.258 . 87.0427489281 . . . . . . . . . . 1 18729 11 >> 84 2 43.380 . 126.9926627480 . . . . . . . . . . 1 18729 11 >> 85 1 3.292 . 90.4914736748 . . . . . . . . . . 1 18729 11 >> 85 2 43.476 . 71.2495474588 . . . . . . . . . . 1 18729 11 >> 86 1 3.026 . 20.9125876427 . . . . . . . . . . 1 18729 11 >> 86 2 42.283 . 69.8640942574 . . . . . . . . . . 1 18729 11 >> 87 1 3.043 . 29.8243761063 . . . . . . . . . . 1 18729 11 >> 87 2 41.571 . 200.0636997680 . . . . . . . . . . 1 18729 11 >> 88 1 3.105 . 37.0201468468 . . . . . . . . . . 1 18729 11 >> 88 2 41.544 . 124.8011276840 . . . . . . . . . . 1 18729 11 >> 89 1 3.125 . 36.7715954781 . . . . . . . . . . 1 18729 11 >> 89 2 41.789 . 149.0478004730 . . . . . . . . . . 1 18729 11 >> 90 1 2.339 . 36.0280275345 . . . . . . . . . . 1 18729 11 >> 90 2 42.007 . 103.8224214600 . . . . . . . . . . 1 18729 11 >> 91 1 2.775 . 33.9844822884 . . . . . . . . . . 1 18729 11 >> 91 2 40.988 . 109.8176553140 . . . . . . . . . . 1 18729 11 >> 92 1 2.565 . 34.9158048630 . . . . . . . . . . 1 18729 11 >> 92 2 40.975 . 110.3324549540 . . . . . . . . . . 1 18729 11 >> 93 1 3.435 . 31.7165255547 . . . . . . . . . . 1 18729 11 >> 93 2 39.267 . 86.7900394258 . . . . . . . . . . 1 18729 11 >> 94 1 3.383 . 29.8509001732 . . . . . . . . . . 1 18729 11 >> 94 2 39.796 . 90.0108189810 . . . . . . . . . . 1 18729 11 >> 95 1 3.248 . 33.1556797028 . . . . . . . . . . 1 18729 11 >> 95 2 38.830 . 86.6530906586 . . . . . . . . . . 1 18729 11 >> 96 1 3.278 . 30.9312343597 . . . . . . . . . . 1 18729 11 >> 96 2 38.043 . 106.8221671240 . . . . . . . . . . 1 18729 11 >> 97 1 3.666 . 32.1289896965 . . . . . . . . . . 1 18729 11 >> 97 2 36.081 . 73.1568960916 . . . . . . . . . . 1 18729 11 >> 98 1 2.823 . 44.0728664398 . . . . . . . . . . 1 18729 11 >> 98 2 39.620 . 104.6387922200 . . . . . . . . . . 1 18729 11 >> 99 1 2.681 . 46.4081764221 . . . . . . . . . . 1 18729 11 >> 99 2 39.195 . 83.6210591452 . . . . . . . . . . 1 18729 11 >> 100 1 2.722 . 41.4949655533 . . . . . . . . . . 1 18729 11 >> 100 2 38.696 . 147.1021345680 . . . . . . . . . . 1 18729 11 >> 101 1 2.834 . 103.6995649340 . . . . . . . . . . 1 18729 11 >> 101 2 38.322 . 113.5511057720 . . . . . . . . . . 1 18729 11 >> 102 1 2.934 . 56.8976998329 . . . . . . . . . . 1 18729 11 >> 102 2 38.277 . 108.5677317210 . . . . . . . . . . 1 18729 11 >> 103 1 2.886 . 87.1491432190 . . . . . . . . . . 1 18729 11 >> 103 2 37.868 . 131.1252514520 . . . . . . . . . . 1 18729 11 >> 104 1 2.856 . 39.8615002632 . . . . . . . . . . 1 18729 11 >> 104 2 37.477 . 181.6401878990 . . . . . . . . . . 1 18729 11 >> 105 1 2.755 . 35.3616476059 . . . . . . . . . . 1 18729 11 >> 105 2 37.473 . 95.9542535600 . . . . . . . . . . 1 18729 11 >> 106 1 3.033 . 30.2168726921 . . . . . . . . . . 1 18729 11 >> 106 2 36.695 . 71.4340380260 . . . . . . . . . . 1 18729 11 >> 107 1 2.751 . 33.8506698608 . . . . . . . . . . 1 18729 11 >> 107 2 36.084 . 73.9487863722 . . . . . . . . . . 1 18729 11 >> 108 1 2.687 . 32.4743986130 . . . . . . . . . . 1 18729 11 >> 108 2 36.698 . 70.6024113156 . . . . . . . . . . 1 18729 11 >> 109 1 2.420 . 32.0780277252 . . . . . . . . . . 1 18729 11 >> 109 2 35.981 . 102.6839017870 . . . . . . . . . . 1 18729 11 >> 110 1 2.346 . 55.8465719223 . . . . . . . . . . 1 18729 11 >> 110 2 35.962 . 220.9835109260 . . . . . . . . . . 1 18729 11 >> 111 1 2.305 . 30.2812457085 . . . . . . . . . . 1 18729 11 >> 111 2 36.404 . 107.2479145870 . . . . . . . . . . 1 18729 11 >> 112 1 2.345 . 92.7138328552 . . . . . . . . . . 1 18729 11 >> 112 2 36.692 . 199.3129650750 . . . . . . . . . . 1 18729 11 >> 113 1 2.257 . 91.0666584969 . . . . . . . . . . 1 18729 11 >> 113 2 36.705 . 109.0523742490 . . . . . . . . . . 1 18729 11 >> 114 1 2.162 . 34.8842144012 . . . . . . . . . . 1 18729 11 >> 114 2 37.022 . 104.5422894610 . . . . . . . . . . 1 18729 11 >> 115 1 1.773 . 31.6733121872 . . . . . . . . . . 1 18729 11 >> 115 2 39.704 . 92.4950554257 . . . . . . . . . . 1 18729 11 >> 116 1 1.620 . 53.9454817772 . . . . . . . . . . 1 18729 11 >> 116 2 28.036 . 105.2504494080 . . . . . . . . . . 1 18729 11 >> 117 1 1.561 . 49.4492053986 . . . . . . . . . . 1 18729 11 >> 117 2 26.673 . 90.2307885034 . . . . . . . . . . 1 18729 11 >> 118 1 1.666 . 58.7597489357 . . . . . . . . . . 1 18729 11 >> 118 2 28.042 . 102.6193300880 . . . . . . . . . . 1 18729 11 >> 119 1 1.523 . 51.1366128922 . . . . . . . . . . 1 18729 11 >> 119 2 26.673 . 89.2203478586 . . . . . . . . . . 1 18729 11 >> 120 1 1.764 . 25.5665183067 . . . . . . . . . . 1 18729 11 >> 120 2 26.841 . 85.4766085034 . . . . . . . . . . 1 18729 11 >> 121 1 2.080 . 33.0689549446 . . . . . . . . . . 1 18729 11 >> 121 2 27.784 . 84.7287121273 . . . . . . . . . . 1 18729 11 >> 122 1 3.194 . 88.8413190842 . . . . . . . . . . 1 18729 11 >> 122 2 43.363 . 123.5760393600 . . . . . . . . . . 1 18729 11 >> 123 1 3.221 . 53.3518195152 . . . . . . . . . . 1 18729 11 >> 123 2 43.476 . 92.3432054974 . . . . . . . . . . 1 18729 11 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 . 1 . . 2.199 . 1 1 1 16 MET ME . . . . . . 244 . 18729 11 >> 1 2 . 1 . . 17.348 . 1 1 1 16 MET CE . . . . . . 243 . 18729 11 >> 2 1 . 1 . . 0.883 . 1 1 1 25 ILE MG . . . . . . 268 . 18729 11 >> 2 2 . 1 . . 16.986 . 1 1 1 25 ILE CG2 . . . . . . 294 . 18729 11 >> 3 1 . 1 . . 0.788 . 1 1 1 25 ILE MD . . . . . . 267 . 18729 11 >> 3 2 . 1 . . 12.114 . 1 1 1 25 ILE CD1 . . . . . . 293 . 18729 11 >> 4 1 . 1 . . 1.191 . 1 1 1 4 VAL MG2 . . . . . . 248 . 18729 11 >> 4 2 . 1 . . 22.201 . 1 1 1 4 VAL CG2 . . . . . . 277 . 18729 11 >> 5 1 . 1 . . 0.969 . 1 1 1 4 VAL MG1 . . . . . . 247 . 18729 11 >> 5 2 . 1 . . 22.121 . 1 1 1 4 VAL CG1 . . . . . . 278 . 18729 11 >> 6 1 . 1 . . 0.812 . 1 1 1 11 PRO HG2 . . . . . . 285 . 18729 11 >> 6 2 . 1 . . 25.903 . 1 1 1 11 PRO CG . . . . . . 283 . 18729 11 >> 7 1 . 1 . . 0.711 . 1 1 1 11 PRO HG3 . . . . . . 284 . 18729 11 >> 7 2 . 1 . . 25.894 . 1 1 1 11 PRO CG . . . . . . 283 . 18729 11 >> 8 1 . 1 . . 1.494 . 1 1 1 15 LYS HG3 . . . . . . 260 . 18729 11 >> 8 2 . 1 . . 25.385 . 1 1 1 15 LYS CG . . . . . . 291 . 18729 11 >> 9 1 . 1 . . 1.400 . 1 1 1 15 LYS HG2 . . . . . . 259 . 18729 11 >> 9 2 . 1 . . 25.357 . 1 1 1 15 LYS CG . . . . . . 291 . 18729 11 >> 10 1 . 1 . . 1.821 . 1 1 1 26 ARG HB2 . . . . . . 174 . 18729 11 >> 10 2 . 2 . . 27.746 . 1 1 1 26 ARG CB . . . . . . 94 . 18729 11 >> 11 1 . 1 . . 1.976 . 1 1 1 26 ARG HB3 . . . . . . 176 . 18729 11 >> 11 1 . 3 . . 1.976 . 1 1 1 13 PRO HG3 . . . . . . 254 . 18729 11 >> 11 2 . 1 . . 27.767 . 1 1 1 13 PRO CG . . . . . . 286 . 18729 11 >> 11 2 . 2 . . 27.767 . 1 1 1 26 ARG CB . . . . . . 94 . 18729 11 >> 12 1 . 1 . . 1.704 . 1 1 1 15 LYS HD3 . . . . . . 261 . 18729 11 >> 12 1 . 2 . . 1.704 . 1 1 1 15 LYS HD2 . . . . . . 262 . 18729 11 >> 12 2 . 1 . . 29.052 . 1 1 1 15 LYS CD . . . . . . 290 . 18729 11 >> 13 1 . 1 . . 2.074 . 1 1 1 14 GLU HB3 . . . . . . 206 . 18729 11 >> 13 1 . 2 . . 2.074 . 1 1 1 14 GLU HB2 . . . . . . 207 . 18729 11 >> 13 2 . 1 . . 29.055 . 1 1 1 14 GLU CB . . . . . . 114 . 18729 11 >> 14 1 . 1 . . 2.015 . 1 1 1 5 GLU HB2 . . . . . . 224 . 18729 11 >> 14 2 . 1 . . 30.625 . 1 1 1 5 GLU CB . . . . . . 97 . 18729 11 >> 15 1 . 1 . . 1.922 . 1 1 1 2 GLU HB2 . . . . . . 232 . 18729 11 >> 15 2 . 2 . . 30.436 . 1 1 1 2 GLU CB . . . . . . 152 . 18729 11 >> 16 1 . 1 . . 2.207 . 1 1 1 5 GLU HB3 . . . . . . 225 . 18729 11 >> 16 2 . 1 . . 30.614 . 1 1 1 5 GLU CB . . . . . . 97 . 18729 11 >> 17 1 . 1 . . 2.133 . 1 1 1 2 GLU HB3 . . . . . . 233 . 18729 11 >> 17 2 . 1 . . 30.453 . 1 1 1 2 GLU CB . . . . . . 152 . 18729 11 >> 18 1 . 1 . . 1.672 . 1 1 1 11 PRO HB2 . . . . . . 211 . 18729 11 >> 18 2 . 1 . . 32.588 . 1 1 1 11 PRO CB . . . . . . 121 . 18729 11 >> 19 1 . 1 . . 2.134 . 1 1 1 4 VAL HB . . . . . . 227 . 18729 11 >> 19 2 . 1 . . 32.445 . 1 1 1 4 VAL CB . . . . . . 99 . 18729 11 >> 20 1 . 1 . . 1.948 . 1 1 1 11 PRO HB3 . . . . . . 212 . 18729 11 >> 20 2 . 1 . . 32.573 . 1 1 1 11 PRO CB . . . . . . 121 . 18729 11 >> 21 1 . 1 . . 2.016 . 1 1 1 13 PRO HB2 . . . . . . 210 . 18729 11 >> 21 1 . 2 . . 2.016 . 1 1 1 13 PRO HB3 . . . . . . 209 . 18729 11 >> 21 2 . 1 . . 32.091 . 1 1 1 13 PRO CB . . . . . . 117 . 18729 11 >> 22 1 . 1 . . 2.533 . 1 1 1 16 MET HG3 . . . . . . 264 . 18729 11 >> 22 2 . 1 . . 32.912 . 1 1 1 16 MET CG . . . . . . 292 . 18729 11 >> 23 1 . 1 . . 2.484 . 1 1 1 16 MET HG2 . . . . . . 263 . 18729 11 >> 23 2 . 1 . . 32.911 . 1 1 1 16 MET CG . . . . . . 292 . 18729 11 >> 24 1 . 1 . . 2.286 . 1 1 1 16 MET HB3 . . . . . . 200 . 18729 11 >> 24 2 . 1 . . 34.014 . 1 1 1 16 MET CB . . . . . . 82 . 18729 11 >> 25 1 . 1 . . 2.076 . 1 1 1 30 ARG HB3 . . . . . . 163 . 18729 11 >> 25 2 . 1 . . 34.393 . 1 1 1 30 ARG CB . . . . . . 85 . 18729 11 >> 26 1 . 3 . . 1.896 . 1 1 1 15 LYS HB3 . . . . . . 203 . 18729 11 >> 26 1 . 4 . . 1.896 . 1 1 1 15 LYS HB2 . . . . . . 202 . 18729 11 >> 26 2 . 1 . . 34.072 . 1 1 1 15 LYS CB . . . . . . 140 . 18729 11 >> 27 1 . 1 . . 1.763 . 1 1 1 30 ARG HB2 . . . . . . 162 . 18729 11 >> 27 2 . 1 . . 34.344 . 1 1 1 30 ARG CB . . . . . . 85 . 18729 11 >> 28 1 . 1 . . 1.803 . 1 1 1 15 LYS HB2 . . . . . . 202 . 18729 11 >> 28 2 . 1 . . 34.117 . 1 1 1 15 LYS CB . . . . . . 140 . 18729 11 >> 29 1 . 1 . . 1.888 . 1 1 1 28 GLU HB2 . . . . . . 169 . 18729 11 >> 29 1 . 2 . . 1.888 . 1 1 1 28 GLU HB3 . . . . . . 168 . 18729 11 >> 29 2 . 1 . . 33.868 . 1 1 1 28 GLU CB . . . . . . 90 . 18729 11 >> 30 1 . 1 . . 1.729 . 1 1 1 16 MET HB2 . . . . . . 199 . 18729 11 >> 30 2 . 1 . . 33.985 . 1 1 1 16 MET CB . . . . . . 82 . 18729 11 >> 31 1 . 1 . . 1.650 . 1 1 1 23 ARG HB2 . . . . . . 183 . 18729 11 >> 31 1 . 2 . . 1.650 . 1 1 1 23 ARG HB3 . . . . . . 184 . 18729 11 >> 31 2 . 1 . . 34.603 . 1 1 1 23 ARG CB . . . . . . 101 . 18729 11 >> 32 1 . 1 . . 3.615 . 1 1 1 19 TRP HB3 . . . . . . 194 . 18729 11 >> 32 2 . 1 . . 30.236 . 1 1 1 19 TRP CB . . . . . . 78 . 18729 11 >> 33 1 . 1 . . 3.031 . 1 1 1 19 TRP HB2 . . . . . . 193 . 18729 11 >> 33 2 . 1 . . 30.235 . 1 1 1 19 TRP CB . . . . . . 78 . 18729 11 >> 34 1 . 1 . . 4.184 . 1 1 1 13 PRO HA . . . . . . 208 . 18729 11 >> 34 2 . 1 . . 63.941 . 1 1 1 13 PRO CA . . . . . . 116 . 18729 11 >> 35 1 . 1 . . 3.891 . 1 1 1 4 VAL HA . . . . . . 228 . 18729 11 >> 35 2 . 1 . . 64.201 . 1 1 1 4 VAL CA . . . . . . 98 . 18729 11 >> 36 1 . 1 . . 4.073 . 1 1 1 11 PRO HA . . . . . . 213 . 18729 11 >> 36 2 . 1 . . 60.988 . 1 1 1 11 PRO CA . . . . . . 120 . 18729 11 >> 37 1 . 1 . . 4.282 . 1 1 1 25 ILE HA . . . . . . 177 . 18729 11 >> 37 2 . 1 . . 60.365 . 1 1 1 25 ILE CA . . . . . . 105 . 18729 11 >> 38 1 . 1 . . 7.549 . 1 1 1 19 TRP HZ2 . . . . . . 306 . 18729 11 >> 38 2 . 1 . . 114.542 . 1 1 1 19 TRP CZ2 . . . . . . 307 . 18729 11 >> 39 1 . 1 . . 7.620 . 1 1 1 19 TRP HE3 . . . . . . 309 . 18729 11 >> 39 2 . 1 . . 121.011 . 1 1 1 19 TRP CE3 . . . . . . 310 . 18729 11 >> 40 1 . 1 . . 7.236 . 1 1 1 19 TRP HZ3 . . . . . . 312 . 18729 11 >> 40 2 . 1 . . 122.221 . 1 1 1 19 TRP CZ3 . . . . . . 314 . 18729 11 >> 41 1 . 1 . . 7.339 . 1 1 1 19 TRP HH2 . . . . . . 311 . 18729 11 >> 41 2 . 1 . . 125.008 . 1 1 1 19 TRP CH2 . . . . . . 313 . 18729 11 >> 42 1 . 1 . . 6.878 . 1 1 1 19 TRP HD1 . . . . . . 300 . 18729 11 >> 42 2 . 1 . . 124.644 . 1 1 1 19 TRP CD1 . . . . . . 308 . 18729 11 >> 43 1 . 1 . . 7.341 . 1 1 1 9 PHE QE . . . . . . 304 . 18729 11 >> 43 2 . 1 . . 131.692 . 1 1 1 9 PHE CE1 . . . . . . 317 . 18729 11 >> 44 1 . 1 . . 7.228 . 1 1 1 9 PHE QD . . . . . . 303 . 18729 11 >> 44 2 . 1 . . 131.684 . 1 1 1 9 PHE CD1 . . . . . . 316 . 18729 11 >> 45 1 . 1 . . 7.290 . 1 1 1 9 PHE HZ . . . . . . 305 . 18729 11 >> 45 2 . 1 . . 127.337 . 1 1 1 9 PHE CZ . . . . . . 315 . 18729 11 >> 46 1 . 1 . . 3.773 . 1 1 1 26 ARG HA . . . . . . 173 . 18729 11 >> 46 2 . 1 . . 57.660 . 1 1 1 26 ARG CA . . . . . . 93 . 18729 11 >> 47 1 . 1 . . 4.090 . 1 1 1 14 GLU HA . . . . . . 205 . 18729 11 >> 47 2 . 1 . . 58.787 . 1 1 1 14 GLU CA . . . . . . 115 . 18729 11 >> 48 1 . 1 . . 4.093 . 1 1 1 5 GLU HA . . . . . . 226 . 18729 11 >> 48 2 . 1 . . 56.227 . 1 1 1 5 GLU CA . . . . . . 96 . 18729 11 >> 49 1 . 1 . . 4.087 . 1 1 1 6 ASN HA . . . . . . 223 . 18729 11 >> 49 2 . 1 . . 54.278 . 1 1 1 6 ASN CA . . . . . . 69 . 18729 11 >> 50 1 . 1 . . 4.396 . 1 1 1 12 ASP HA . . . . . . 240 . 18729 11 >> 50 2 . 1 . . 52.556 . 1 1 1 12 ASP CA . . . . . . 119 . 18729 11 >> 51 1 . 1 . . 4.454 . 1 1 1 2 GLU HA . . . . . . 234 . 18729 11 >> 51 2 . 1 . . 56.343 . 1 1 1 2 GLU CA . . . . . . 153 . 18729 11 >> 52 1 . 1 . . 4.407 . 1 1 1 15 LYS HA . . . . . . 204 . 18729 11 >> 52 2 . 1 . . 57.351 . 1 1 1 15 LYS CA . . . . . . 113 . 18729 11 >> 53 1 . 1 . . 4.327 . 1 1 1 27 ASN HA . . . . . . 170 . 18729 11 >> 53 2 . 1 . . 57.434 . 1 1 1 27 ASN CA . . . . . . 91 . 18729 11 >> 54 1 . 1 . . 4.547 . 1 1 1 21 CYS HA . . . . . . 189 . 18729 11 >> 54 2 . 1 . . 57.166 . 1 1 1 21 CYS CA . . . . . . 74 . 18729 11 >> 55 1 . 1 . . 4.548 . 1 1 1 31 ASN HA . . . . . . 158 . 18729 11 >> 55 2 . 1 . . 54.901 . 1 1 1 31 ASN CA . . . . . . 68 . 18729 11 >> 56 1 . 1 . . 5.253 . 1 1 1 29 CYS HA . . . . . . 164 . 18729 11 >> 56 2 . 1 . . 53.566 . 1 1 1 29 CYS CA . . . . . . 88 . 18729 11 >> 57 1 . 1 . . 5.033 . 1 1 1 28 GLU HA . . . . . . 167 . 18729 11 >> 57 2 . 1 . . 54.771 . 1 1 1 28 GLU CA . . . . . . 89 . 18729 11 >> 58 1 . 1 . . 4.863 . 1 1 1 19 TRP HA . . . . . . 195 . 18729 11 >> 58 2 . 1 . . 55.769 . 1 1 1 19 TRP CA . . . . . . 77 . 18729 11 >> 59 1 . 1 . . 4.835 . 1 1 1 20 CYS HA . . . . . . 192 . 18729 11 >> 59 2 . 1 . . 55.339 . 1 1 1 20 CYS CA . . . . . . 75 . 18729 11 >> 60 1 . 1 . . 4.787 . 1 1 1 16 MET HA . . . . . . 201 . 18729 11 >> 60 2 . 1 . . 55.035 . 1 1 1 16 MET CA . . . . . . 83 . 18729 11 >> 61 1 . 1 . . 4.840 . 1 1 1 23 ARG HA . . . . . . 182 . 18729 11 >> 61 2 . 1 . . 54.276 . 1 1 1 23 ARG CA . . . . . . 102 . 18729 11 >> 62 1 . 1 . . 4.809 . 1 1 1 3 CYS HA . . . . . . 231 . 18729 11 >> 62 2 . 1 . . 54.086 . 1 1 1 3 CYS CA . . . . . . 111 . 18729 11 >> 63 1 . 1 . . 4.738 . 1 1 1 30 ARG HA . . . . . . 161 . 18729 11 >> 63 2 . 1 . . 53.871 . 1 1 1 30 ARG CA . . . . . . 86 . 18729 11 >> 64 1 . 1 . . 4.860 . 1 1 1 18 ASP HA . . . . . . 198 . 18729 11 >> 64 2 . 1 . . 53.592 . 1 1 1 18 ASP CA . . . . . . 80 . 18729 11 >> 65 1 . 1 . . 4.678 . 1 1 1 24 CYS HA . . . . . . 179 . 18729 11 >> 65 2 . 1 . . 56.739 . 1 1 1 24 CYS CA . . . . . . 100 . 18729 11 >> 66 1 . 1 . . 4.692 . 1 1 1 9 PHE HA . . . . . . 216 . 18729 11 >> 66 2 . 1 . . 58.647 . 1 1 1 9 PHE CA . . . . . . 106 . 18729 11 >> 67 1 . 1 . . 4.496 . 1 1 1 10 CYS HA . . . . . . 237 . 18729 11 >> 67 2 . 1 . . 50.183 . 1 1 1 10 CYS CA . . . . . . 109 . 18729 11 >> 68 1 . 1 . . 3.838 . 1 1 1 13 PRO HD2 . . . . . . 252 . 18729 11 >> 68 1 . 2 . . 3.838 . 1 1 1 13 PRO HD3 . . . . . . 251 . 18729 11 >> 68 2 . 1 . . 51.766 . 1 1 1 13 PRO CD . . . . . . 287 . 18729 11 >> 69 1 . 1 . . 2.663 . 1 1 1 11 PRO HD3 . . . . . . 282 . 18729 11 >> 69 2 . 1 . . 49.750 . 1 1 1 11 PRO CD . . . . . . 280 . 18729 11 >> 70 1 . 1 . . 2.404 . 1 1 1 11 PRO HD2 . . . . . . 281 . 18729 11 >> 70 2 . 1 . . 49.752 . 1 1 1 11 PRO CD . . . . . . 280 . 18729 11 >> 71 1 . 1 . . 3.019 . 1 1 1 10 CYS HB2 . . . . . . 238 . 18729 11 >> 71 2 . 1 . . 46.706 . 1 1 1 10 CYS CB . . . . . . 108 . 18729 11 >> 72 1 . 1 . . 2.936 . 1 1 1 10 CYS HB3 . . . . . . 239 . 18729 11 >> 72 2 . 1 . . 46.708 . 1 1 1 10 CYS CB . . . . . . 108 . 18729 11 >> 73 1 . 1 . . 3.516 . 1 1 1 32 GLY HA3 . . . . . . 242 . 18729 11 >> 73 2 . 1 . . 46.148 . 1 1 1 32 GLY CA . . . . . . 84 . 18729 11 >> 74 1 . 1 . . 3.752 . 1 1 1 32 GLY HA2 . . . . . . 241 . 18729 11 >> 74 2 . 1 . . 46.064 . 1 1 1 32 GLY CA . . . . . . 84 . 18729 11 >> 75 1 . 1 . . 3.569 . 1 1 1 8 GLY HA3 . . . . . . 217 . 18729 11 >> 75 2 . 1 . . 44.761 . 1 1 1 8 GLY CA . . . . . . 110 . 18729 11 >> 76 1 . 1 . . 3.792 . 1 1 1 22 GLY HA2 . . . . . . 185 . 18729 11 >> 76 2 . 1 . . 44.694 . 1 1 1 22 GLY CA . . . . . . 72 . 18729 11 >> 77 1 . 1 . . 3.820 . 1 1 1 7 GLY HA3 . . . . . . 219 . 18729 11 >> 77 2 . 1 . . 44.713 . 1 1 1 7 GLY CA . . . . . . 95 . 18729 11 >> 78 1 . 1 . . 3.798 . 1 1 1 17 GLY HA2 . . . . . . 156 . 18729 11 >> 78 2 . 1 . . 44.398 . 1 1 1 17 GLY CA . . . . . . 81 . 18729 11 >> 79 1 . 1 . . 4.263 . 1 1 1 8 GLY HA2 . . . . . . 218 . 18729 11 >> 79 2 . 1 . . 44.776 . 1 1 1 8 GLY CA . . . . . . 110 . 18729 11 >> 80 1 . 1 . . 4.237 . 1 1 1 22 GLY HA3 . . . . . . 186 . 18729 11 >> 80 2 . 1 . . 44.705 . 1 1 1 22 GLY CA . . . . . . 72 . 18729 11 >> 81 1 . 1 . . 4.483 . 1 1 1 7 GLY HA2 . . . . . . 220 . 18729 11 >> 81 2 . 1 . . 44.761 . 1 1 1 7 GLY CA . . . . . . 95 . 18729 11 >> 82 1 . 1 . . 4.381 . 1 1 1 17 GLY HA3 . . . . . . 157 . 18729 11 >> 82 2 . 1 . . 44.519 . 1 1 1 17 GLY CA . . . . . . 81 . 18729 11 >> 83 1 . 1 . . 3.205 . 1 1 1 23 ARG HD2 . . . . . . 265 . 18729 11 >> 83 1 . 2 . . 3.205 . 1 1 1 23 ARG HD3 . . . . . . 266 . 18729 11 >> 83 2 . 1 . . 43.814 . 1 1 1 23 ARG CD . . . . . . 297 . 18729 11 >> 84 1 . 2 . . 3.258 . 1 1 1 30 ARG HD2 . . . . . . 274 . 18729 11 >> 84 2 . 1 . . 43.380 . 1 1 1 30 ARG CD . . . . . . 299 . 18729 11 >> 85 1 . 2 . . 3.292 . 1 1 1 26 ARG HD3 . . . . . . 269 . 18729 11 >> 85 2 . 1 . . 43.476 . 1 1 1 26 ARG CD . . . . . . 295 . 18729 11 >> 86 1 . 1 . . 3.026 . 1 1 1 15 LYS HE3 . . . . . . 258 . 18729 11 >> 86 1 . 2 . . 3.026 . 1 1 1 15 LYS HE2 . . . . . . 257 . 18729 11 >> 86 2 . 1 . . 42.283 . 1 1 1 15 LYS CE . . . . . . 289 . 18729 11 >> 87 1 . 1 . . 3.043 . 1 1 1 3 CYS HB3 . . . . . . 229 . 18729 11 >> 87 2 . 1 . . 41.571 . 1 1 1 3 CYS CB . . . . . . 112 . 18729 11 >> 88 1 . 1 . . 3.105 . 1 1 1 3 CYS HB2 . . . . . . 230 . 18729 11 >> 88 2 . 1 . . 41.544 . 1 1 1 3 CYS CB . . . . . . 112 . 18729 11 >> 89 1 . 1 . . 3.125 . 1 1 1 18 ASP HB3 . . . . . . 197 . 18729 11 >> 89 2 . 1 . . 41.789 . 1 1 1 18 ASP CB . . . . . . 79 . 18729 11 >> 90 1 . 1 . . 2.339 . 1 1 1 18 ASP HB2 . . . . . . 196 . 18729 11 >> 90 2 . 1 . . 42.007 . 1 1 1 18 ASP CB . . . . . . 79 . 18729 11 >> 91 1 . 1 . . 2.775 . 1 1 1 12 ASP HB3 . . . . . . 301 . 18729 11 >> 91 2 . 1 . . 40.988 . 1 1 1 12 ASP CB . . . . . . 118 . 18729 11 >> 92 1 . 1 . . 2.565 . 1 1 1 12 ASP HB2 . . . . . . 302 . 18729 11 >> 92 2 . 1 . . 40.975 . 1 1 1 12 ASP CB . . . . . . 118 . 18729 11 >> 93 1 . 1 . . 3.435 . 1 1 1 24 CYS HB2 . . . . . . 181 . 18729 11 >> 93 2 . 1 . . 39.267 . 1 1 1 24 CYS CB . . . . . . 103 . 18729 11 >> 94 1 . 1 . . 3.383 . 1 1 1 9 PHE HB2 . . . . . . 215 . 18729 11 >> 94 2 . 1 . . 39.796 . 1 1 1 9 PHE CB . . . . . . 107 . 18729 11 >> 95 1 . 1 . . 3.248 . 1 1 1 21 CYS HB3 . . . . . . 188 . 18729 11 >> 95 2 . 1 . . 38.830 . 1 1 1 21 CYS CB . . . . . . 73 . 18729 11 >> 96 1 . 1 . . 3.278 . 1 1 1 27 ASN HB2 . . . . . . 171 . 18729 11 >> 96 2 . 1 . . 38.043 . 1 1 1 27 ASN CB . . . . . . 92 . 18729 11 >> 97 1 . 1 . . 3.666 . 1 1 1 29 CYS HB2 . . . . . . 165 . 18729 11 >> 97 2 . 1 . . 36.081 . 1 1 1 29 CYS CB . . . . . . 87 . 18729 11 >> 98 1 . 1 . . 2.823 . 1 1 1 9 PHE HB3 . . . . . . 214 . 18729 11 >> 98 2 . 1 . . 39.620 . 1 1 1 9 PHE CB . . . . . . 107 . 18729 11 >> 99 1 . 1 . . 2.681 . 1 1 1 24 CYS HB3 . . . . . . 180 . 18729 11 >> 99 2 . 1 . . 39.195 . 1 1 1 24 CYS CB . . . . . . 103 . 18729 11 >> 100 1 . 1 . . 2.722 . 1 1 1 21 CYS HB2 . . . . . . 187 . 18729 11 >> 100 2 . 1 . . 38.696 . 1 1 1 21 CYS CB . . . . . . 73 . 18729 11 >> 101 1 . 1 . . 2.834 . 1 1 1 31 ASN HB2 . . . . . . 159 . 18729 11 >> 101 2 . 1 . . 38.322 . 1 1 1 31 ASN CB . . . . . . 71 . 18729 11 >> 102 1 . 1 . . 2.934 . 1 1 1 31 ASN HB3 . . . . . . 160 . 18729 11 >> 102 2 . 1 . . 38.277 . 1 1 1 31 ASN CB . . . . . . 71 . 18729 11 >> 103 1 . 1 . . 2.886 . 1 1 1 27 ASN HB3 . . . . . . 172 . 18729 11 >> 103 2 . 1 . . 37.868 . 1 1 1 27 ASN CB . . . . . . 92 . 18729 11 >> 104 1 . 1 . . 2.856 . 1 1 1 6 ASN HB2 . . . . . . 222 . 18729 11 >> 104 2 . 1 . . 37.477 . 1 1 1 6 ASN CB . . . . . . 70 . 18729 11 >> 105 1 . 1 . . 2.755 . 1 1 1 6 ASN HB3 . . . . . . 221 . 18729 11 >> 105 2 . 1 . . 37.473 . 1 1 1 6 ASN CB . . . . . . 70 . 18729 11 >> 106 1 . 1 . . 3.033 . 1 1 1 20 CYS HB2 . . . . . . 191 . 18729 11 >> 106 2 . 1 . . 36.695 . 1 1 1 20 CYS CB . . . . . . 76 . 18729 11 >> 107 1 . 1 . . 2.751 . 1 1 1 29 CYS HB3 . . . . . . 166 . 18729 11 >> 107 2 . 1 . . 36.084 . 1 1 1 29 CYS CB . . . . . . 87 . 18729 11 >> 108 1 . 1 . . 2.687 . 1 1 1 20 CYS HB3 . . . . . . 190 . 18729 11 >> 108 2 . 1 . . 36.698 . 1 1 1 20 CYS CB . . . . . . 76 . 18729 11 >> 109 1 . 1 . . 2.420 . 1 1 1 5 GLU HG2 . . . . . . 250 . 18729 11 >> 109 2 . 1 . . 35.981 . 1 1 1 5 GLU CG . . . . . . 279 . 18729 11 >> 110 1 . 1 . . 2.346 . 1 1 1 5 GLU HG3 . . . . . . 249 . 18729 11 >> 110 2 . 1 . . 35.962 . 1 1 1 5 GLU CG . . . . . . 279 . 18729 11 >> 111 1 . 1 . . 2.305 . 1 1 1 2 GLU HG2 . . . . . . 245 . 18729 11 >> 111 1 . 2 . . 2.305 . 1 1 1 2 GLU HG3 . . . . . . 246 . 18729 11 >> 111 2 . 1 . . 36.404 . 1 1 1 2 GLU CG . . . . . . 276 . 18729 11 >> 112 1 . 1 . . 2.345 . 1 1 1 14 GLU HG2 . . . . . . 256 . 18729 11 >> 112 2 . 1 . . 36.692 . 1 1 1 14 GLU CG . . . . . . 288 . 18729 11 >> 113 1 . 1 . . 2.257 . 1 1 1 14 GLU HG3 . . . . . . 255 . 18729 11 >> 113 2 . 1 . . 36.705 . 1 1 1 14 GLU CG . . . . . . 288 . 18729 11 >> 114 1 . 1 . . 2.162 . 1 1 1 28 GLU HG3 . . . . . . 272 . 18729 11 >> 114 1 . 2 . . 2.162 . 1 1 1 28 GLU HG2 . . . . . . 273 . 18729 11 >> 114 2 . 1 . . 37.022 . 1 1 1 28 GLU CG . . . . . . 298 . 18729 11 >> 115 1 . 1 . . 1.773 . 1 1 1 25 ILE HB . . . . . . 178 . 18729 11 >> 115 2 . 1 . . 39.704 . 1 1 1 25 ILE CB . . . . . . 104 . 18729 11 >> 116 1 . 1 . . 1.620 . 1 1 1 26 ARG HG2 . . . . . . 175 . 18729 11 >> 116 2 . 1 . . 28.036 . 1 1 1 26 ARG CG . . . . . . 296 . 18729 11 >> 117 1 . 2 . . 1.561 . 1 1 1 23 ARG HG2 . . . . . . 323 . 18729 11 >> 117 2 . 1 . . 26.673 . 1 1 1 23 ARG CG . . . . . . 322 . 18729 11 >> 118 1 . 1 . . 1.666 . 1 1 1 26 ARG HG3 . . . . . . 271 . 18729 11 >> 118 2 . 1 . . 28.042 . 1 1 1 26 ARG CG . . . . . . 296 . 18729 11 >> 119 1 . 1 . . 1.523 . 1 1 1 23 ARG HG3 . . . . . . 321 . 18729 11 >> 119 2 . 1 . . 26.673 . 1 1 1 23 ARG CG . . . . . . 322 . 18729 11 >> 120 1 . 1 . . 1.764 . 1 1 1 30 ARG HG2 . . . . . . 324 . 18729 11 >> 120 1 . 2 . . 1.764 . 1 1 1 30 ARG HG3 . . . . . . 326 . 18729 11 >> 120 2 . 1 . . 26.841 . 1 1 1 30 ARG CG . . . . . . 325 . 18729 11 >> 121 1 . 1 . . 2.080 . 1 1 1 13 PRO HG2 . . . . . . 253 . 18729 11 >> 121 2 . 1 . . 27.784 . 1 1 1 13 PRO CG . . . . . . 286 . 18729 11 >> 122 1 . 1 . . 3.194 . 1 1 1 30 ARG HD3 . . . . . . 275 . 18729 11 >> 122 2 . 1 . . 43.363 . 1 1 1 30 ARG CD . . . . . . 299 . 18729 11 >> 123 1 . 1 . . 3.221 . 1 1 1 26 ARG HD2 . . . . . . 270 . 18729 11 >> 123 2 . 1 . . 43.476 . 1 1 1 26 ARG CD . . . . . . 295 . 18729 11 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '2D 1H-13C HSQC/HMQC' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 C 13C stop_ _Sample_label $13C_15N _Sample_conditions_label $Standard _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11_12 >> _Spectral_peak_list.Entry_ID 18729 >> _Spectral_peak_list.ID 12 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $13C_15N >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Standard >> _Spectral_peak_list.Experiment_ID 12 >> _Spectral_peak_list.Experiment_name '2D 1H-13C HSQC/HMQC' >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . 5937.5000000 . . . 18729 12 >> 2 C 13 13C . 11904.7619048 . . . 18729 12 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18729 12 >> 2 1.0 . 18729 12 >> 3 1.0 . 18729 12 >> 4 1.0 . 18729 12 >> 5 1.0 . 18729 12 >> 6 1.0 . 18729 12 >> 7 1.0 . 18729 12 >> 8 1.0 . 18729 12 >> 9 1.0 . 18729 12 >> 10 1.0 . 18729 12 >> 11 1.0 . 18729 12 >> 12 1.0 . 18729 12 >> 13 1.0 . 18729 12 >> 14 1.0 . 18729 12 >> 15 1.0 . 18729 12 >> 16 1.0 . 18729 12 >> 17 1.0 . 18729 12 >> 18 1.0 . 18729 12 >> 19 1.0 . 18729 12 >> 20 1.0 . 18729 12 >> 21 1.0 . 18729 12 >> 22 1.0 . 18729 12 >> 23 1.0 . 18729 12 >> 24 1.0 . 18729 12 >> 25 1.0 . 18729 12 >> 26 1.0 . 18729 12 >> 27 1.0 . 18729 12 >> 28 1.0 . 18729 12 >> 29 1.0 . 18729 12 >> 30 1.0 . 18729 12 >> 31 1.0 . 18729 12 >> 32 1.0 . 18729 12 >> 33 1.0 . 18729 12 >> 34 1.0 . 18729 12 >> 35 1.0 . 18729 12 >> 36 1.0 . 18729 12 >> 37 1.0 . 18729 12 >> 38 1.0 . 18729 12 >> 39 1.0 . 18729 12 >> 40 1.0 . 18729 12 >> 41 1.0 . 18729 12 >> 42 1.0 . 18729 12 >> 43 1.0 . 18729 12 >> 44 1.0 . 18729 12 >> 45 1.0 . 18729 12 >> 46 1.0 . 18729 12 >> 47 1.0 . 18729 12 >> 48 1.0 . 18729 12 >> 49 1.0 . 18729 12 >> 50 1.0 . 18729 12 >> 51 1.0 . 18729 12 >> 52 1.0 . 18729 12 >> 53 1.0 . 18729 12 >> 54 1.0 . 18729 12 >> 55 1.0 . 18729 12 >> 56 1.0 . 18729 12 >> 57 1.0 . 18729 12 >> 58 1.0 . 18729 12 >> 59 1.0 . 18729 12 >> 60 1.0 . 18729 12 >> 61 1.0 . 18729 12 >> 62 1.0 . 18729 12 >> 63 1.0 . 18729 12 >> 64 1.0 . 18729 12 >> 65 1.0 . 18729 12 >> 66 1.0 . 18729 12 >> 67 1.0 . 18729 12 >> 68 1.0 . 18729 12 >> 69 1.0 . 18729 12 >> 70 1.0 . 18729 12 >> 71 1.0 . 18729 12 >> 72 1.0 . 18729 12 >> 73 1.0 . 18729 12 >> 74 1.0 . 18729 12 >> 75 1.0 . 18729 12 >> 76 1.0 . 18729 12 >> 77 1.0 . 18729 12 >> 78 1.0 . 18729 12 >> 79 1.0 . 18729 12 >> 80 1.0 . 18729 12 >> 81 1.0 . 18729 12 >> 82 1.0 . 18729 12 >> 83 1.0 . 18729 12 >> 84 1.0 . 18729 12 >> 85 1.0 . 18729 12 >> 86 1.0 . 18729 12 >> 87 1.0 . 18729 12 >> 88 1.0 . 18729 12 >> 89 1.0 . 18729 12 >> 90 1.0 . 18729 12 >> 91 1.0 . 18729 12 >> 92 1.0 . 18729 12 >> 93 1.0 . 18729 12 >> 94 1.0 . 18729 12 >> 95 1.0 . 18729 12 >> 96 1.0 . 18729 12 >> 97 1.0 . 18729 12 >> 98 1.0 . 18729 12 >> 99 1.0 . 18729 12 >> 100 1.0 . 18729 12 >> 101 1.0 . 18729 12 >> 102 1.0 . 18729 12 >> 103 1.0 . 18729 12 >> 104 1.0 . 18729 12 >> 105 1.0 . 18729 12 >> 106 1.0 . 18729 12 >> 107 1.0 . 18729 12 >> 108 1.0 . 18729 12 >> 109 1.0 . 18729 12 >> 110 1.0 . 18729 12 >> 111 1.0 . 18729 12 >> 112 1.0 . 18729 12 >> 113 1.0 . 18729 12 >> 114 1.0 . 18729 12 >> 115 1.0 . 18729 12 >> 116 1.0 . 18729 12 >> 117 1.0 . 18729 12 >> 118 1.0 . 18729 12 >> 119 1.0 . 18729 12 >> 120 1.0 . 18729 12 >> 121 1.0 . 18729 12 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 4070091.5000 . height 18729 12 >> 1 31137080.2500 . volume 18729 12 >> 2 950053.9375 . height 18729 12 >> 2 7030021.9375 . volume 18729 12 >> 3 1006713.0625 . height 18729 12 >> 3 7489075.6875 . volume 18729 12 >> 4 607762.9375 . height 18729 12 >> 4 4704483.5000 . volume 18729 12 >> 5 1468969.0000 . height 18729 12 >> 5 10922055.3750 . volume 18729 12 >> 6 1035059.8750 . height 18729 12 >> 6 7684358.0625 . volume 18729 12 >> 7 208396.6875 . height 18729 12 >> 7 1531259.6875 . volume 18729 12 >> 8 776301.8750 . height 18729 12 >> 8 5820097.2500 . volume 18729 12 >> 9 592365.6875 . height 18729 12 >> 9 4465281.9375 . volume 18729 12 >> 10 511096.0625 . height 18729 12 >> 10 3818500.7500 . volume 18729 12 >> 11 293985.8125 . height 18729 12 >> 11 2181194.1875 . volume 18729 12 >> 12 1290430.0000 . height 18729 12 >> 12 9526194.5000 . volume 18729 12 >> 13 1035147.7500 . height 18729 12 >> 13 7779735.3750 . volume 18729 12 >> 14 628483.5625 . height 18729 12 >> 14 4688824.1875 . volume 18729 12 >> 15 288888.7500 . height 18729 12 >> 15 2159793.3125 . volume 18729 12 >> 16 230278.3125 . height 18729 12 >> 16 1688696.3750 . volume 18729 12 >> 17 -11627.1250 . height 18729 12 >> 17 -59016.9375 . volume 18729 12 >> 18 32687.4375 . height 18729 12 >> 18 263144.1875 . volume 18729 12 >> 19 59178.5625 . height 18729 12 >> 19 439915.3125 . volume 18729 12 >> 20 8992.8750 . height 18729 12 >> 20 88790.5000 . volume 18729 12 >> 21 27505.0000 . height 18729 12 >> 21 229068.2500 . volume 18729 12 >> 22 508.1250 . height 18729 12 >> 22 3911.7500 . volume 18729 12 >> 23 2277.6875 . height 18729 12 >> 23 -14626.5625 . volume 18729 12 >> 24 -21908.3125 . height 18729 12 >> 24 -172306.0000 . volume 18729 12 >> 25 482.8125 . height 18729 12 >> 25 17270.1250 . volume 18729 12 >> 26 -15500.6875 . height 18729 12 >> 26 -106193.3750 . volume 18729 12 >> 27 2931636.5000 . height 18729 12 >> 27 22145212.7500 . volume 18729 12 >> 28 2345388.0000 . height 18729 12 >> 28 17505972.3750 . volume 18729 12 >> 29 1996966.5000 . height 18729 12 >> 29 15014254.3750 . volume 18729 12 >> 30 2073223.5000 . height 18729 12 >> 30 15776601.2500 . volume 18729 12 >> 31 2168517.2500 . height 18729 12 >> 31 16291369.5000 . volume 18729 12 >> 32 -282718.8750 . height 18729 12 >> 32 -2089560.9375 . volume 18729 12 >> 33 -291651.7500 . height 18729 12 >> 33 -2157726.0625 . volume 18729 12 >> 34 -986265.5625 . height 18729 12 >> 34 -7596655.1250 . volume 18729 12 >> 35 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height 18729 12 >> 48 14229378.9375 . volume 18729 12 >> 49 1615343.3750 . height 18729 12 >> 49 12101767.2500 . volume 18729 12 >> 50 1824940.6250 . height 18729 12 >> 50 13768034.8750 . volume 18729 12 >> 51 645659.2500 . height 18729 12 >> 51 4254536.5000 . volume 18729 12 >> 52 1963835.3750 . height 18729 12 >> 52 14656401.2500 . volume 18729 12 >> 53 2167592.5000 . height 18729 12 >> 53 16487309.1250 . volume 18729 12 >> 54 2059925.2500 . height 18729 12 >> 54 15437425.1250 . volume 18729 12 >> 55 2048834.0000 . height 18729 12 >> 55 15508899.5000 . volume 18729 12 >> 56 1575318.6250 . height 18729 12 >> 56 12041200.8125 . volume 18729 12 >> 57 2304567.2500 . height 18729 12 >> 57 17709598.5000 . volume 18729 12 >> 58 644232.4375 . height 18729 12 >> 58 4253407.1875 . volume 18729 12 >> 59 2372593.7500 . height 18729 12 >> 59 17764095.2500 . volume 18729 12 >> 60 2209059.0000 . height 18729 12 >> 60 16547963.6250 . volume 18729 12 >> 61 2351520.0000 . height 18729 12 >> 61 17666605.1250 . volume 18729 12 >> 62 2246248.0000 . height 18729 12 >> 62 17312012.8750 . volume 18729 12 >> 63 2049021.0000 . height 18729 12 >> 63 15267097.8750 . volume 18729 12 >> 64 2058918.0000 . height 18729 12 >> 64 15273565.0000 . volume 18729 12 >> 65 1866865.2500 . height 18729 12 >> 65 13930173.6250 . volume 18729 12 >> 66 1975011.5000 . height 18729 12 >> 66 15043973.5000 . volume 18729 12 >> 67 2024052.0000 . height 18729 12 >> 67 15371400.8750 . volume 18729 12 >> 68 2229697.5000 . height 18729 12 >> 68 16777453.3750 . volume 18729 12 >> 69 3511915.0000 . height 18729 12 >> 69 26478643.0000 . volume 18729 12 >> 70 3419391.0000 . height 18729 12 >> 70 26281909.5000 . volume 18729 12 >> 71 3547810.0000 . height 18729 12 >> 71 27006728.5000 . volume 18729 12 >> 72 11305932.0000 . height 18729 12 >> 72 84934202.5000 . volume 18729 12 >> 73 3061477.2500 . height 18729 12 >> 73 22892739.7500 . volume 18729 12 >> 74 2929313.0000 . height 18729 12 >> 74 22064723.7500 . volume 18729 12 >> 75 2925356.5000 . height 18729 12 >> 75 22173764.6250 . volume 18729 12 >> 76 2419967.5000 . height 18729 12 >> 76 18453170.0000 . volume 18729 12 >> 77 89423.6250 . height 18729 12 >> 77 736655.2500 . volume 18729 12 >> 78 140727.5000 . height 18729 12 >> 78 1123764.6875 . volume 18729 12 >> 79 -4821448.5000 . height 18729 12 >> 79 -36793288.0000 . volume 18729 12 >> 80 -2224872.5000 . height 18729 12 >> 80 -16831249.3750 . volume 18729 12 >> 81 -4685865.0000 . height 18729 12 >> 81 -37550372.0000 . volume 18729 12 >> 82 -1229160.2500 . height 18729 12 >> 82 -10914006.4375 . volume 18729 12 >> 83 -1796648.0000 . height 18729 12 >> 83 -13611908.0000 . volume 18729 12 >> 84 -1270719.1250 . height 18729 12 >> 84 -9609645.3750 . volume 18729 12 >> 85 1842112.0000 . height 18729 12 >> 85 13810514.3750 . volume 18729 12 >> 86 -334019.4375 . height 18729 12 >> 86 -4855552.5000 . volume 18729 12 >> 87 -1356272.6250 . height 18729 12 >> 87 -10370897.7500 . volume 18729 12 >> 88 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-2730456.5000 . height 18729 12 >> 101 -20697281.2500 . volume 18729 12 >> 102 -2824859.0000 . height 18729 12 >> 102 -21562047.1250 . volume 18729 12 >> 103 -1168268.6250 . height 18729 12 >> 103 -8917395.0000 . volume 18729 12 >> 104 -1645770.6250 . height 18729 12 >> 104 -12424824.2500 . volume 18729 12 >> 105 15825614.0000 . height 18729 12 >> 105 116865812.0000 . volume 18729 12 >> 106 17734092.0000 . height 18729 12 >> 106 130972933.0000 . volume 18729 12 >> 107 22287470.0000 . height 18729 12 >> 107 164086708.0000 . volume 18729 12 >> 108 14753051.0000 . height 18729 12 >> 108 110021675.0000 . volume 18729 12 >> 109 -2302945.2500 . height 18729 12 >> 109 -18018382.5000 . volume 18729 12 >> 110 -3183876.2500 . height 18729 12 >> 110 -24680218.2500 . volume 18729 12 >> 111 -3400333.5000 . height 18729 12 >> 111 -26599010.0000 . volume 18729 12 >> 112 -1990812.2500 . height 18729 12 >> 112 -15495273.0000 . volume 18729 12 >> 113 -5893715.5000 . height 18729 12 >> 113 -44378257.5000 . volume 18729 12 >> 114 -2740218.0000 . height 18729 12 >> 114 -20678621.6250 . volume 18729 12 >> 115 -2564903.0000 . height 18729 12 >> 115 -19484422.7500 . volume 18729 12 >> 116 -2002805.5000 . height 18729 12 >> 116 -15149539.2500 . volume 18729 12 >> 117 5407661.0000 . height 18729 12 >> 117 42455734.7500 . volume 18729 12 >> 118 4380224.0000 . height 18729 12 >> 118 33613350.2500 . volume 18729 12 >> 119 2710489.5000 . height 18729 12 >> 119 19834022.2500 . volume 18729 12 >> 120 1690579.7500 . height 18729 12 >> 120 12749487.1250 . volume 18729 12 >> 121 1496420.0000 . height 18729 12 >> 121 11396017.2500 . volume 18729 12 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 3.891 . 30.53277730940 . . . . . . . . . . 1 18729 12 >> 1 2 64.191 . 39.18561907040 . . . . . . . . . . 1 18729 12 >> 2 1 4.184 . 19.63675022130 . . . . . . . . . . 1 18729 12 >> 2 2 63.909 . 37.07834652490 . . . . . . . . . . 1 18729 12 >> 3 1 4.072 . 19.62065696720 . . . . . . . . . . 1 18729 12 >> 3 2 60.962 . 36.95079968090 . . . . . . . . . . 1 18729 12 >> 4 1 4.280 . 26.91581845280 . . . . . . . . . . 1 18729 12 >> 4 2 60.342 . 41.17048922040 . . . . . . . . . . 1 18729 12 >> 5 1 4.089 . 20.62946558000 . . . . . . . . . . 1 18729 12 >> 5 2 58.779 . 37.24616198310 . . . . . . . . . . 1 18729 12 >> 6 1 3.773 . 23.45025539400 . . . . . . . . . . 1 18729 12 >> 6 2 57.660 . 36.47839739210 . . . . . . . . . . 1 18729 12 >> 7 1 4.536 . 28.06752920150 . . . . . . . . . . 1 18729 12 >> 7 2 57.148 . 35.89760689510 . . . . . . . . . . 1 18729 12 >> 8 1 4.454 . 22.31761813160 . . . . . . . . . . 1 18729 12 >> 8 2 56.354 . 37.39339964730 . . . . . . . . . . 1 18729 12 >> 9 1 4.326 . 30.40626645090 . . . . . . . . . . 1 18729 12 >> 9 2 57.458 . 37.74606046220 . . . . . . . . . . 1 18729 12 >> 10 1 4.406 . 23.66438508030 . . . . . . . . . . 1 18729 12 >> 10 2 57.351 . 37.24048535030 . . . . . . . . . . 1 18729 12 >> 11 1 4.549 . 23.52833747860 . . . . . . . . . . 1 18729 12 >> 11 2 54.897 . 36.69872170400 . . . . . . . . . . 1 18729 12 >> 12 1 4.092 . 20.96056938170 . . . . . . . . . . 1 18729 12 >> 12 2 56.213 . 36.25736350110 . . . . . . . . . . 1 18729 12 >> 13 1 4.085 . 24.13928508760 . . . . . . . . . . 1 18729 12 >> 13 2 54.272 . 37.31286241890 . . . . . . . . . . 1 18729 12 >> 14 1 4.396 . 21.09602093700 . . . . . . . . . . 1 18729 12 >> 14 2 52.528 . 37.91210197270 . . . . . . . . . . 1 18729 12 >> 15 1 4.496 . 20.34410834310 . . . . . . . . . . 1 18729 12 >> 15 2 50.185 . 38.56597911740 . . . . . . . . . . 1 18729 12 >> 16 1 5.252 . 25.88078379630 . . . . . . . . . . 1 18729 12 >> 16 2 53.607 . 33.37469838910 . . . . . . . . . . 1 18729 12 >> 17 1 5.048 . 25.96348524090 . . . . . . . . . . 1 18729 12 >> 17 2 54.796 . 23.25290725340 . . . . . . . . . . 1 18729 12 >> 18 1 4.692 . 34.31484103200 . . . . . . . . . . 1 18729 12 >> 18 2 58.555 . 55.19638458890 . . . . . . . . . . 1 18729 12 >> 19 1 4.697 . 37.93641924860 . . . . . . . . . . 1 18729 12 >> 19 2 56.846 . 34.47490079060 . . . . . . . . . . 1 18729 12 >> 20 1 4.862 . 114.95113372800 . . . . . . . . . . 1 18729 12 >> 20 2 55.755 . 40.37114835920 . . . . . . . . . . 1 18729 12 >> 21 1 4.834 . 188.05772066100 . . . . . . . . . . 1 18729 12 >> 21 2 55.350 . 59.51346386050 . . . . . . . . . . 1 18729 12 >> 22 1 4.793 . 24.41942691800 . . . . . . . . . . 1 18729 12 >> 22 2 55.038 . 76.33722963790 . . . . . . . . . . 1 18729 12 >> 23 1 4.832 . 5.90071082115 . . . . . . . . . . 1 18729 12 >> 23 2 54.377 . 40.34453914280 . . . . . . . . . . 1 18729 12 >> 24 1 4.804 . 181.03092908900 . . . . . . . . . . 1 18729 12 >> 24 2 54.166 . 37.86136706670 . . . . . . . . . . 1 18729 12 >> 25 1 4.737 . 130.45549392700 . . . . . . . . . . 1 18729 12 >> 25 2 53.927 . 46.09177509940 . . . . . . . . . . 1 18729 12 >> 26 1 4.865 . 98.95339608190 . . . . . . . . . . 1 18729 12 >> 26 2 53.620 . 27.48980408620 . . . . . . . . . . 1 18729 12 >> 27 1 3.836 . 32.30661153790 . . . . . . . . . . 1 18729 12 >> 27 2 51.756 . 37.23942098160 . . . . . . . . . . 1 18729 12 >> 28 1 2.662 . 23.48870038990 . . . . . . . . . . 1 18729 12 >> 28 2 49.745 . 37.20323244730 . . . . . . . . . . 1 18729 12 >> 29 1 2.404 . 27.81093120570 . . . . . . . . . . 1 18729 12 >> 29 2 49.745 . 37.13227453690 . . . . . . . . . . 1 18729 12 >> 30 1 3.018 . 28.86950969700 . . . . . . . . . . 1 18729 12 >> 30 2 46.699 . 38.87145292190 . . . . . . . . . . 1 18729 12 >> 31 1 2.937 . 28.12385559080 . . . . . . . . . . 1 18729 12 >> 31 2 46.696 . 38.83349043980 . . . . . . . . . . 1 18729 12 >> 32 1 4.483 . 19.26124095920 . . . . . . . . . . 1 18729 12 >> 32 2 44.828 . 37.44768244880 . . . . . . . . . . 1 18729 12 >> 33 1 4.382 . 39.30613398550 . . . . . . . . . . 1 18729 12 >> 33 2 44.517 . 36.57915762490 . . . . . . . . . . 1 18729 12 >> 34 1 4.263 . 24.89894628520 . . . . . . . . . . 1 18729 12 >> 34 2 44.757 . 43.10693059650 . . . . . . . . . . 1 18729 12 >> 35 1 4.236 . 59.34789776800 . . . . . . . . . . 1 18729 12 >> 35 2 44.719 . 50.10621888300 . . . . . . . . . . 1 18729 12 >> 36 1 3.826 . 45.75133323670 . . . . . . . . . . 1 18729 12 >> 36 2 44.817 . 72.95182773050 . . . . . . . . . . 1 18729 12 >> 37 1 3.796 . 56.51324987410 . . . . . . . . . . 1 18729 12 >> 37 2 44.759 . 88.41036331090 . . . . . . . . . . 1 18729 12 >> 38 1 3.801 . 36.19879484180 . . . . . . . . . . 1 18729 12 >> 38 2 44.409 . 94.83631168090 . . . . . . . . . . 1 18729 12 >> 39 1 3.758 . 32.93216228490 . . . . . . . . . . 1 18729 12 >> 39 2 46.129 . 42.29481731140 . . . . . . . . . . 1 18729 12 >> 40 1 3.515 . 36.41277551650 . . . . . . . . . . 1 18729 12 >> 40 2 46.113 . 37.50941583090 . . . . . . . . . . 1 18729 12 >> 41 1 3.563 . 32.97686576840 . . . . . . . . . . 1 18729 12 >> 41 2 44.699 . 37.09821473980 . . . . . . . . . . 1 18729 12 >> 42 1 3.206 . 18.82672309880 . . . . . . . . . . 1 18729 12 >> 42 2 43.732 . 43.76932269050 . . . . . . . . . . 1 18729 12 >> 43 1 3.221 . 79.34510707860 . . . . . . . . . . 1 18729 12 >> 43 2 43.487 . 40.64256236670 . . . . . . . . . . 1 18729 12 >> 44 1 3.258 . 85.24060249330 . . . . . . . . . . 1 18729 12 >> 44 2 43.353 . 94.44852670030 . . . . . . . . . . 1 18729 12 >> 45 1 3.025 . 19.34230327610 . . . . . . . . . . 1 18729 12 >> 45 2 42.279 . 37.57434231890 . . . . . . . . . . 1 18729 12 >> 46 1 3.113 . 29.96414899830 . . . . . . . . . . 1 18729 12 >> 46 2 41.563 . 37.81985668910 . . . . . . . . . . 1 18729 12 >> 47 1 3.044 . 29.21104431150 . . . . . . . . . . 1 18729 12 >> 47 2 41.561 . 37.62862512040 . . . . . . . . . . 1 18729 12 >> 48 1 3.136 . 37.25528717040 . . . . . . . . . . 1 18729 12 >> 48 2 42.000 . 37.14930443540 . . . . . . . . . . 1 18729 12 >> 49 1 3.662 . 30.84063529970 . . . . . . . . . . 1 18729 12 >> 49 2 36.084 . 38.39177744730 . . . . . . . . . . 1 18729 12 >> 50 1 3.450 . 31.48049116130 . . . . . . . . . . 1 18729 12 >> 50 2 39.255 . 37.34230995180 . . . . . . . . . . 1 18729 12 >> 51 1 3.381 . 27.75579690930 . . . . . . . . . . 1 18729 12 >> 51 2 39.792 . 26.61915052500 . . . . . . . . . . 1 18729 12 >> 52 1 3.280 . 27.95159816740 . . . . . . . . . . 1 18729 12 >> 52 2 38.030 . 36.00759165630 . . . . . . . . . . 1 18729 12 >> 53 1 3.255 . 32.07564353940 . . . . . . . . . . 1 18729 12 >> 53 2 38.789 . 38.38681039360 . . . . . . . . . . 1 18729 12 >> 54 1 2.777 . 32.42075443270 . . . . . . . . . . 1 18729 12 >> 54 2 40.961 . 36.20059717270 . . . . . . . . . . 1 18729 12 >> 55 1 2.569 . 33.37621688840 . . . . . . . . . . 1 18729 12 >> 55 2 40.948 . 36.18214811600 . . . . . . . . . . 1 18729 12 >> 56 1 2.342 . 34.60556268690 . . . . . . . . . . 1 18729 12 >> 56 2 41.992 . 36.91656248910 . . . . . . . . . . 1 18729 12 >> 57 1 1.773 . 28.95861864090 . . . . . . . . . . 1 18729 12 >> 57 2 39.694 . 39.73713942940 . . . . . . . . . . 1 18729 12 >> 58 1 2.841 . 29.45989370350 . . . . . . . . . . 1 18729 12 >> 58 2 39.792 . 27.31524762650 . . . . . . . . . . 1 18729 12 >> 59 1 2.735 . 35.83043813710 . . . . . . . . . . 1 18729 12 >> 59 2 38.811 . 38.66709413980 . . . . . . . . . . 1 18729 12 >> 60 1 2.686 . 33.20276737210 . . . . . . . . . . 1 18729 12 >> 60 2 39.253 . 37.69993782040 . . . . . . . . . . 1 18729 12 >> 61 1 2.832 . 31.50433301930 . . . . . . . . . . 1 18729 12 >> 61 2 38.318 . 36.91514333090 . . . . . . . . . . 1 18729 12 >> 62 1 2.944 . 31.30435943600 . . . . . . . . . . 1 18729 12 >> 62 2 38.315 . 38.49821431300 . . . . . . . . . . 1 18729 12 >> 63 1 2.897 . 32.86182880400 . . . . . . . . . . 1 18729 12 >> 63 2 38.024 . 36.98326292490 . . . . . . . . . . 1 18729 12 >> 64 1 2.860 . 31.85123205180 . . . . . . . . . . 1 18729 12 >> 64 2 37.475 . 36.63769790100 . . . . . . . . . . 1 18729 12 >> 65 1 2.754 . 34.52926874160 . . . . . . . . . . 1 18729 12 >> 65 2 37.471 . 36.72923360550 . . . . . . . . . . 1 18729 12 >> 66 1 3.033 . 29.35379743580 . . . . . . . . . . 1 18729 12 >> 66 2 36.692 . 39.14251213980 . . . . . . . . . . 1 18729 12 >> 67 1 2.687 . 31.31806850430 . . . . . . . . . . 1 18729 12 >> 67 2 36.686 . 39.35041881740 . . . . . . . . . . 1 18729 12 >> 68 1 2.751 . 32.70775079730 . . . . . . . . . . 1 18729 12 >> 68 2 36.080 . 38.96156946820 . . . . . . . . . . 1 18729 12 >> 69 1 2.350 . 33.14822912220 . . . . . . . . . . 1 18729 12 >> 69 2 36.727 . 38.21934972490 . . . . . . . . . . 1 18729 12 >> 70 1 2.261 . 33.36846828460 . . . . . . . . . . 1 18729 12 >> 70 2 36.726 . 40.76673870990 . . . . . . . . . . 1 18729 12 >> 71 1 2.159 . 32.32240676880 . . . . . . . . . . 1 18729 12 >> 71 2 37.044 . 38.58123506820 . . . . . . . . . . 1 18729 12 >> 72 1 2.304 . 24.10262823100 . . . . . . . . . . 1 18729 12 >> 72 2 36.397 . 37.88229965030 . . . . . . . . . . 1 18729 12 >> 73 1 2.419 . 30.57032823560 . . . . . . . . . . 1 18729 12 >> 73 2 35.966 . 36.67530559360 . . . . . . . . . . 1 18729 12 >> 74 1 2.351 . 39.25472497940 . . . . . . . . . . 1 18729 12 >> 74 2 35.965 . 36.93997859950 . . . . . . . . . . 1 18729 12 >> 75 1 2.531 . 26.96126699450 . . . . . . . . . . 1 18729 12 >> 75 2 32.906 . 40.62482288910 . . . . . . . . . . 1 18729 12 >> 76 1 2.483 . 58.43877792360 . . . . . . . . . . 1 18729 12 >> 76 2 32.899 . 39.64560372490 . . . . . . . . . . 1 18729 12 >> 77 1 3.616 . 39.49731588360 . . . . . . . . . . 1 18729 12 >> 77 2 30.251 . 54.79086013070 . . . . . . . . . . 1 18729 12 >> 78 1 3.035 . 35.82954406740 . . . . . . . . . . 1 18729 12 >> 78 2 30.251 . 47.07276821140 . . . . . . . . . . 1 18729 12 >> 79 1 1.651 . 26.94785594940 . . . . . . . . . . 1 18729 12 >> 79 2 34.629 . 39.46253231590 . . . . . . . . . . 1 18729 12 >> 80 1 1.762 . 22.70072698590 . . . . . . . . . . 1 18729 12 >> 80 2 34.383 . 42.16177122930 . . . . . . . . . . 1 18729 12 >> 81 1 1.900 . 35.12054681780 . . . . . . . . . . 1 18729 12 >> 81 2 34.022 . 48.99147010980 . . . . . . . . . . 1 18729 12 >> 82 1 1.804 . 145.67881822600 . . . . . . . . . . 1 18729 12 >> 82 2 34.058 . 52.22005503520 . . . . . . . . . . 1 18729 12 >> 83 1 2.077 . 27.76563167570 . . . . . . . . . . 1 18729 12 >> 83 2 34.388 . 38.57201053980 . . . . . . . . . . 1 18729 12 >> 84 1 2.285 . 33.97017717360 . . . . . . . . . . 1 18729 12 >> 84 2 34.021 . 37.44732765920 . . . . . . . . . . 1 18729 12 >> 85 1 2.134 . 30.35604953770 . . . . . . . . . . 1 18729 12 >> 85 2 32.433 . 36.64479369210 . . . . . . . . . . 1 18729 12 >> 86 1 2.004 . 42.90968179700 . . . . . . . . . . 1 18729 12 >> 86 2 31.951 . 122.02135154200 . . . . . . . . . . 1 18729 12 >> 87 1 1.947 . 33.52999687190 . . . . . . . . . . 1 18729 12 >> 87 2 32.590 . 38.85939007710 . . . . . . . . . . 1 18729 12 >> 88 1 1.892 . 29.11478281020 . . . . . . . . . . 1 18729 12 >> 88 2 33.678 . 148.43685286400 . . . . . . . . . . 1 18729 12 >> 89 1 1.707 . 43.39605569840 . . . . . . . . . . 1 18729 12 >> 89 2 33.879 . 87.48116947360 . . . . . . . . . . 1 18729 12 >> 90 1 1.669 . 26.93533897400 . . . . . . . . . . 1 18729 12 >> 90 2 32.598 . 37.35863027120 . . . . . . . . . . 1 18729 12 >> 91 1 2.203 . 33.71477127080 . . . . . . . . . . 1 18729 12 >> 91 2 30.617 . 39.49801127120 . . . . . . . . . . 1 18729 12 >> 92 1 2.133 . 31.76808357240 . . . . . . . . . . 1 18729 12 >> 92 2 30.432 . 39.89182767410 . . . . . . . . . . 1 18729 12 >> 93 1 2.014 . 36.71675920490 . . . . . . . . . . 1 18729 12 >> 93 2 30.621 . 38.98711431590 . . . . . . . . . . 1 18729 12 >> 94 1 1.919 . 32.99385309220 . . . . . . . . . . 1 18729 12 >> 94 2 30.421 . 38.29669384730 . . . . . . . . . . 1 18729 12 >> 95 1 2.073 . 25.52628517150 . . . . . . . . . . 1 18729 12 >> 95 2 29.045 . 37.49203114280 . . . . . . . . . . 1 18729 12 >> 96 1 1.972 . 28.30207347870 . . . . . . . . . . 1 18729 12 >> 96 2 27.843 . 51.18406954270 . . . . . . . . . . 1 18729 12 >> 97 1 1.984 . 35.36194562910 . . . . . . . . . . 1 18729 12 >> 97 2 27.698 . 41.90348443530 . . . . . . . . . . 1 18729 12 >> 98 1 1.817 . 35.59619188310 . . . . . . . . . . 1 18729 12 >> 98 2 27.695 . 36.97971502940 . . . . . . . . . . 1 18729 12 >> 99 1 1.705 . 35.53122282030 . . . . . . . . . . 1 18729 12 >> 99 2 29.046 . 39.86060619350 . . . . . . . . . . 1 18729 12 >> 100 1 2.198 . 11.43276691440 . . . . . . . . . . 1 18729 12 >> 100 2 17.357 . 39.02259327120 . . . . . . . . . . 1 18729 12 >> 101 1 1.493 . 30.71904182430 . . . . . . . . . . 1 18729 12 >> 101 2 25.381 . 37.85462606520 . . . . . . . . . . 1 18729 12 >> 102 1 1.401 . 31.31389617920 . . . . . . . . . . 1 18729 12 >> 102 2 25.378 . 39.33055060250 . . . . . . . . . . 1 18729 12 >> 103 1 0.812 . 38.01226615910 . . . . . . . . . . 1 18729 12 >> 103 2 25.892 . 38.02208673390 . . . . . . . . . . 1 18729 12 >> 104 1 0.711 . 27.54926681520 . . . . . . . . . . 1 18729 12 >> 104 2 25.891 . 37.92842229210 . . . . . . . . . . 1 18729 12 >> 105 1 1.191 . 15.93381166460 . . . . . . . . . . 1 18729 12 >> 105 2 22.195 . 38.42087019060 . . . . . . . . . . 1 18729 12 >> 106 1 0.969 . 15.86198806760 . . . . . . . . . . 1 18729 12 >> 106 2 22.118 . 38.46273535770 . . . . . . . . . . 1 18729 12 >> 107 1 0.882 . 15.78778028490 . . . . . . . . . . 1 18729 12 >> 107 2 16.984 . 38.15619718460 . . . . . . . . . . 1 18729 12 >> 108 1 0.788 . 18.11265945430 . . . . . . . . . . 1 18729 12 >> 108 2 12.092 . 39.28513753980 . . . . . . . . . . 1 18729 12 >> 109 1 1.622 . 53.91985177990 . . . . . . . . . . 1 18729 12 >> 109 2 28.070 . 40.83769662040 . . . . . . . . . . 1 18729 12 >> 110 1 1.556 . 53.39354276660 . . . . . . . . . . 1 18729 12 >> 110 2 26.685 . 43.04377805620 . . . . . . . . . . 1 18729 12 >> 111 1 1.524 . 51.65547132490 . . . . . . . . . . 1 18729 12 >> 111 2 26.689 . 43.97545542040 . . . . . . . . . . 1 18729 12 >> 112 1 1.665 . 57.09648132320 . . . . . . . . . . 1 18729 12 >> 112 2 28.063 . 41.29821345920 . . . . . . . . . . 1 18729 12 >> 113 1 1.763 . 23.37366342540 . . . . . . . . . . 1 18729 12 >> 113 2 26.813 . 38.92821925030 . . . . . . . . . . 1 18729 12 >> 114 1 1.412 . 31.27425909040 . . . . . . . . . . 1 18729 12 >> 114 2 26.558 . 37.22097192490 . . . . . . . . . . 1 18729 12 >> 115 1 1.111 . 31.41790628430 . . . . . . . . . . 1 18729 12 >> 115 2 26.567 . 38.00789515180 . . . . . . . . . . 1 18729 12 >> 116 1 2.082 . 27.48638391490 . . . . . . . . . . 1 18729 12 >> 116 2 27.792 . 38.36481344130 . . . . . . . . . . 1 18729 12 >> 117 1 3.194 . 75.34593343730 . . . . . . . . . . 1 18729 12 >> 117 2 43.363 . 94.58157278240 . . . . . . . . . . 1 18729 12 >> 118 1 3.295 . 88.70661258700 . . . . . . . . . . 1 18729 12 >> 118 2 43.473 . 40.79228355770 . . . . . . . . . . 1 18729 12 >> 119 1 3.975 . 16.86841249470 . . . . . . . . . . 1 18729 12 >> 119 2 57.957 . 37.09785995030 . . . . . . . . . . 1 18729 12 >> 120 1 3.949 . 76.66915655140 . . . . . . . . . . 1 18729 12 >> 120 2 64.309 . 37.50551314580 . . . . . . . . . . 1 18729 12 >> 121 1 3.972 . 78.63402366640 . . . . . . . . . . 1 18729 12 >> 121 2 64.309 . 38.18032287420 . . . . . . . . . . 1 18729 12 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 . 1 . . 3.891 . 1 1 1 4 VAL HA . . . . . . 228 . 18729 12 >> 1 2 . 1 . . 64.191 . 1 1 1 4 VAL CA . . . . . . 98 . 18729 12 >> 2 1 . 1 . . 4.184 . 1 1 1 13 PRO HA . . . . . . 208 . 18729 12 >> 2 2 . 1 . . 63.909 . 1 1 1 13 PRO CA . . . . . . 116 . 18729 12 >> 3 1 . 1 . . 4.072 . 1 1 1 11 PRO HA . . . . . . 213 . 18729 12 >> 3 2 . 1 . . 60.962 . 1 1 1 11 PRO CA . . . . . . 120 . 18729 12 >> 4 1 . 1 . . 4.280 . 1 1 1 25 ILE HA . . . . . . 177 . 18729 12 >> 4 2 . 1 . . 60.342 . 1 1 1 25 ILE CA . . . . . . 105 . 18729 12 >> 5 1 . 1 . . 4.089 . 1 1 1 14 GLU HA . . . . . . 205 . 18729 12 >> 5 2 . 1 . . 58.779 . 1 1 1 14 GLU CA . . . . . . 115 . 18729 12 >> 6 1 . 1 . . 3.773 . 1 1 1 26 ARG HA . . . . . . 173 . 18729 12 >> 6 2 . 1 . . 57.660 . 1 1 1 26 ARG CA . . . . . . 93 . 18729 12 >> 7 1 . 1 . . 4.536 . 1 1 1 21 CYS HA . . . . . . 189 . 18729 12 >> 7 2 . 1 . . 57.148 . 1 1 1 21 CYS CA . . . . . . 74 . 18729 12 >> 8 1 . 1 . . 4.454 . 1 1 1 2 GLU HA . . . . . . 234 . 18729 12 >> 8 2 . 1 . . 56.354 . 1 1 1 2 GLU CA . . . . . . 153 . 18729 12 >> 9 1 . 1 . . 4.326 . 1 1 1 27 ASN HA . . . . . . 170 . 18729 12 >> 9 2 . 1 . . 57.458 . 1 1 1 27 ASN CA . . . . . . 91 . 18729 12 >> 10 1 . 1 . . 4.406 . 1 1 1 15 LYS HA . . . . . . 204 . 18729 12 >> 10 2 . 1 . . 57.351 . 1 1 1 15 LYS CA . . . . . . 113 . 18729 12 >> 11 1 . 1 . . 4.549 . 1 1 1 31 ASN HA . . . . . . 158 . 18729 12 >> 11 2 . 1 . . 54.897 . 1 1 1 31 ASN CA . . . . . . 68 . 18729 12 >> 12 1 . 1 . . 4.092 . 1 1 1 5 GLU HA . . . . . . 226 . 18729 12 >> 12 2 . 1 . . 56.213 . 1 1 1 5 GLU CA . . . . . . 96 . 18729 12 >> 13 1 . 1 . . 4.085 . 1 1 1 6 ASN HA . . . . . . 223 . 18729 12 >> 13 2 . 1 . . 54.272 . 1 1 1 6 ASN CA . . . . . . 69 . 18729 12 >> 14 1 . 1 . . 4.396 . 1 1 1 12 ASP HA . . . . . . 240 . 18729 12 >> 14 2 . 1 . . 52.528 . 1 1 1 12 ASP CA . . . . . . 119 . 18729 12 >> 15 1 . 1 . . 4.496 . 1 1 1 10 CYS HA . . . . . . 237 . 18729 12 >> 15 2 . 1 . . 50.185 . 1 1 1 10 CYS CA . . . . . . 109 . 18729 12 >> 16 1 . 1 . . 5.252 . 1 1 1 29 CYS HA . . . . . . 164 . 18729 12 >> 16 2 . 1 . . 53.607 . 1 1 1 29 CYS CA . . . . . . 88 . 18729 12 >> 17 1 . 1 . . 5.048 . 1 1 1 28 GLU HA . . . . . . 167 . 18729 12 >> 17 2 . 1 . . 54.796 . 1 1 1 28 GLU CA . . . . . . 89 . 18729 12 >> 18 1 . 1 . . 4.692 . 1 1 1 9 PHE HA . . . . . . 216 . 18729 12 >> 18 2 . 1 . . 58.555 . 1 1 1 9 PHE CA . . . . . . 106 . 18729 12 >> 19 1 . 1 . . 4.697 . 1 1 1 24 CYS HA . . . . . . 179 . 18729 12 >> 19 2 . 1 . . 56.846 . 1 1 1 24 CYS CA . . . . . . 100 . 18729 12 >> 20 1 . 1 . . 4.862 . 1 1 1 19 TRP HA . . . . . . 195 . 18729 12 >> 20 2 . 1 . . 55.755 . 1 1 1 19 TRP CA . . . . . . 77 . 18729 12 >> 21 1 . 1 . . 4.834 . 1 1 1 20 CYS HA . . . . . . 192 . 18729 12 >> 21 2 . 1 . . 55.350 . 1 1 1 20 CYS CA . . . . . . 75 . 18729 12 >> 22 1 . 1 . . 4.793 . 1 1 1 16 MET HA . . . . . . 201 . 18729 12 >> 22 2 . 1 . . 55.038 . 1 1 1 16 MET CA . . . . . . 83 . 18729 12 >> 23 1 . 1 . . 4.832 . 1 1 1 23 ARG HA . . . . . . 182 . 18729 12 >> 23 2 . 1 . . 54.377 . 1 1 1 23 ARG CA . . . . . . 102 . 18729 12 >> 24 1 . 1 . . 4.804 . 1 1 1 3 CYS HA . . . . . . 231 . 18729 12 >> 24 2 . 1 . . 54.166 . 1 1 1 3 CYS CA . . . . . . 111 . 18729 12 >> 25 1 . 1 . . 4.737 . 1 1 1 30 ARG HA . . . . . . 161 . 18729 12 >> 25 2 . 1 . . 53.927 . 1 1 1 30 ARG CA . . . . . . 86 . 18729 12 >> 26 1 . 1 . . 4.865 . 1 1 1 18 ASP HA . . . . . . 198 . 18729 12 >> 26 2 . 1 . . 53.620 . 1 1 1 18 ASP CA . . . . . . 80 . 18729 12 >> 27 1 . 1 . . 3.836 . 1 1 1 13 PRO HD3 . . . . . . 251 . 18729 12 >> 27 1 . 2 . . 3.836 . 1 1 1 13 PRO HD2 . . . . . . 252 . 18729 12 >> 27 2 . 1 . . 51.756 . 1 1 1 13 PRO CD . . . . . . 287 . 18729 12 >> 28 1 . 1 . . 2.662 . 1 1 1 11 PRO HD3 . . . . . . 282 . 18729 12 >> 28 2 . 1 . . 49.745 . 1 1 1 11 PRO CD . . . . . . 280 . 18729 12 >> 29 1 . 1 . . 2.404 . 1 1 1 11 PRO HD2 . . . . . . 281 . 18729 12 >> 29 2 . 1 . . 49.745 . 1 1 1 11 PRO CD . . . . . . 280 . 18729 12 >> 30 1 . 1 . . 3.018 . 1 1 1 10 CYS HB2 . . . . . . 238 . 18729 12 >> 30 2 . 1 . . 46.699 . 1 1 1 10 CYS CB . . . . . . 108 . 18729 12 >> 31 1 . 1 . . 2.937 . 1 1 1 10 CYS HB3 . . . . . . 239 . 18729 12 >> 31 2 . 1 . . 46.696 . 1 1 1 10 CYS CB . . . . . . 108 . 18729 12 >> 32 1 . 1 . . 4.483 . 1 1 1 7 GLY HA2 . . . . . . 220 . 18729 12 >> 32 2 . 1 . . 44.828 . 1 1 1 7 GLY CA . . . . . . 95 . 18729 12 >> 33 1 . 1 . . 4.382 . 1 1 1 17 GLY HA3 . . . . . . 157 . 18729 12 >> 33 2 . 1 . . 44.517 . 1 1 1 17 GLY CA . . . . . . 81 . 18729 12 >> 34 1 . 1 . . 4.263 . 1 1 1 8 GLY HA2 . . . . . . 218 . 18729 12 >> 34 2 . 1 . . 44.757 . 1 1 1 8 GLY CA . . . . . . 110 . 18729 12 >> 35 1 . 1 . . 4.236 . 1 1 1 22 GLY HA3 . . . . . . 186 . 18729 12 >> 35 2 . 1 . . 44.719 . 1 1 1 22 GLY CA . . . . . . 72 . 18729 12 >> 36 1 . 1 . . 3.826 . 1 1 1 7 GLY HA3 . . . . . . 219 . 18729 12 >> 36 2 . 1 . . 44.817 . 1 1 1 7 GLY CA . . . . . . 95 . 18729 12 >> 37 1 . 1 . . 3.796 . 1 1 1 22 GLY HA2 . . . . . . 185 . 18729 12 >> 37 2 . 1 . . 44.759 . 1 1 1 22 GLY CA . . . . . . 72 . 18729 12 >> 38 1 . 1 . . 3.801 . 1 1 1 17 GLY HA2 . . . . . . 156 . 18729 12 >> 38 2 . 1 . . 44.409 . 1 1 1 17 GLY CA . . . . . . 81 . 18729 12 >> 39 1 . 1 . . 3.758 . 1 1 1 32 GLY HA2 . . . . . . 241 . 18729 12 >> 39 2 . 1 . . 46.129 . 1 1 1 32 GLY CA . . . . . . 84 . 18729 12 >> 40 1 . 1 . . 3.515 . 1 1 1 32 GLY HA3 . . . . . . 242 . 18729 12 >> 40 2 . 1 . . 46.113 . 1 1 1 32 GLY CA . . . . . . 84 . 18729 12 >> 41 1 . 1 . . 3.563 . 1 1 1 8 GLY HA3 . . . . . . 217 . 18729 12 >> 41 2 . 1 . . 44.699 . 1 1 1 8 GLY CA . . . . . . 110 . 18729 12 >> 42 1 . 1 . . 3.206 . 1 1 1 23 ARG HD2 . . . . . . 265 . 18729 12 >> 42 1 . 2 . . 3.206 . 1 1 1 23 ARG HD3 . . . . . . 266 . 18729 12 >> 42 2 . 1 . . 43.732 . 1 1 1 23 ARG CD . . . . . . 297 . 18729 12 >> 43 1 . 2 . . 3.221 . 1 1 1 26 ARG HD2 . . . . . . 270 . 18729 12 >> 43 2 . 1 . . 43.487 . 1 1 1 26 ARG CD . . . . . . 295 . 18729 12 >> 44 1 . 2 . . 3.258 . 1 1 1 30 ARG HD2 . . . . . . 274 . 18729 12 >> 44 2 . 1 . . 43.353 . 1 1 1 30 ARG CD . . . . . . 299 . 18729 12 >> 45 1 . 1 . . 3.025 . 1 1 1 15 LYS HE3 . . . . . . 258 . 18729 12 >> 45 1 . 2 . . 3.025 . 1 1 1 15 LYS HE2 . . . . . . 257 . 18729 12 >> 45 2 . 1 . . 42.279 . 1 1 1 15 LYS CE . . . . . . 289 . 18729 12 >> 46 1 . 1 . . 3.113 . 1 1 1 3 CYS HB2 . . . . . . 230 . 18729 12 >> 46 2 . 1 . . 41.563 . 1 1 1 3 CYS CB . . . . . . 112 . 18729 12 >> 47 1 . 1 . . 3.044 . 1 1 1 3 CYS HB3 . . . . . . 229 . 18729 12 >> 47 2 . 1 . . 41.561 . 1 1 1 3 CYS CB . . . . . . 112 . 18729 12 >> 48 1 . 1 . . 3.136 . 1 1 1 18 ASP HB3 . . . . . . 197 . 18729 12 >> 48 2 . 1 . . 42.000 . 1 1 1 18 ASP CB . . . . . . 79 . 18729 12 >> 49 1 . 1 . . 3.662 . 1 1 1 29 CYS HB2 . . . . . . 165 . 18729 12 >> 49 2 . 1 . . 36.084 . 1 1 1 29 CYS CB . . . . . . 87 . 18729 12 >> 50 1 . 1 . . 3.450 . 1 1 1 24 CYS HB2 . . . . . . 181 . 18729 12 >> 50 2 . 1 . . 39.255 . 1 1 1 24 CYS CB . . . . . . 103 . 18729 12 >> 51 1 . 1 . . 3.381 . 1 1 1 9 PHE HB2 . . . . . . 215 . 18729 12 >> 51 2 . 1 . . 39.792 . 1 1 1 9 PHE CB . . . . . . 107 . 18729 12 >> 52 1 . 1 . . 3.280 . 1 1 1 27 ASN HB2 . . . . . . 171 . 18729 12 >> 52 2 . 1 . . 38.030 . 1 1 1 27 ASN CB . . . . . . 92 . 18729 12 >> 53 1 . 1 . . 3.255 . 1 1 1 21 CYS HB3 . . . . . . 188 . 18729 12 >> 53 2 . 1 . . 38.789 . 1 1 1 21 CYS CB . . . . . . 73 . 18729 12 >> 54 1 . 1 . . 2.777 . 1 1 1 12 ASP HB3 . . . . . . 301 . 18729 12 >> 54 2 . 1 . . 40.961 . 1 1 1 12 ASP CB . . . . . . 118 . 18729 12 >> 55 1 . 1 . . 2.569 . 1 1 1 12 ASP HB2 . . . . . . 302 . 18729 12 >> 55 2 . 1 . . 40.948 . 1 1 1 12 ASP CB . . . . . . 118 . 18729 12 >> 56 1 . 1 . . 2.342 . 1 1 1 18 ASP HB2 . . . . . . 196 . 18729 12 >> 56 2 . 1 . . 41.992 . 1 1 1 18 ASP CB . . . . . . 79 . 18729 12 >> 57 1 . 1 . . 1.773 . 1 1 1 25 ILE HB . . . . . . 178 . 18729 12 >> 57 2 . 1 . . 39.694 . 1 1 1 25 ILE CB . . . . . . 104 . 18729 12 >> 58 1 . 1 . . 2.841 . 1 1 1 9 PHE HB3 . . . . . . 214 . 18729 12 >> 58 2 . 1 . . 39.792 . 1 1 1 9 PHE CB . . . . . . 107 . 18729 12 >> 59 1 . 1 . . 2.735 . 1 1 1 21 CYS HB2 . . . . . . 187 . 18729 12 >> 59 2 . 1 . . 38.811 . 1 1 1 21 CYS CB . . . . . . 73 . 18729 12 >> 60 1 . 1 . . 2.686 . 1 1 1 24 CYS HB3 . . . . . . 180 . 18729 12 >> 60 2 . 1 . . 39.253 . 1 1 1 24 CYS CB . . . . . . 103 . 18729 12 >> 61 1 . 1 . . 2.832 . 1 1 1 31 ASN HB2 . . . . . . 159 . 18729 12 >> 61 2 . 1 . . 38.318 . 1 1 1 31 ASN CB . . . . . . 71 . 18729 12 >> 62 1 . 1 . . 2.944 . 1 1 1 31 ASN HB3 . . . . . . 160 . 18729 12 >> 62 2 . 1 . . 38.315 . 1 1 1 31 ASN CB . . . . . . 71 . 18729 12 >> 63 1 . 1 . . 2.897 . 1 1 1 27 ASN HB3 . . . . . . 172 . 18729 12 >> 63 2 . 1 . . 38.024 . 1 1 1 27 ASN CB . . . . . . 92 . 18729 12 >> 64 1 . 1 . . 2.860 . 1 1 1 6 ASN HB2 . . . . . . 222 . 18729 12 >> 64 2 . 1 . . 37.475 . 1 1 1 6 ASN CB . . . . . . 70 . 18729 12 >> 65 1 . 1 . . 2.754 . 1 1 1 6 ASN HB3 . . . . . . 221 . 18729 12 >> 65 2 . 1 . . 37.471 . 1 1 1 6 ASN CB . . . . . . 70 . 18729 12 >> 66 1 . 1 . . 3.033 . 1 1 1 20 CYS HB2 . . . . . . 191 . 18729 12 >> 66 2 . 1 . . 36.692 . 1 1 1 20 CYS CB . . . . . . 76 . 18729 12 >> 67 1 . 1 . . 2.687 . 1 1 1 20 CYS HB3 . . . . . . 190 . 18729 12 >> 67 2 . 1 . . 36.686 . 1 1 1 20 CYS CB . . . . . . 76 . 18729 12 >> 68 1 . 1 . . 2.751 . 1 1 1 29 CYS HB3 . . . . . . 166 . 18729 12 >> 68 2 . 1 . . 36.080 . 1 1 1 29 CYS CB . . . . . . 87 . 18729 12 >> 69 1 . 1 . . 2.350 . 1 1 1 14 GLU HG2 . . . . . . 256 . 18729 12 >> 69 2 . 1 . . 36.727 . 1 1 1 14 GLU CG . . . . . . 288 . 18729 12 >> 70 1 . 1 . . 2.261 . 1 1 1 14 GLU HG3 . . . . . . 255 . 18729 12 >> 70 2 . 1 . . 36.726 . 1 1 1 14 GLU CG . . . . . . 288 . 18729 12 >> 71 1 . 1 . . 2.159 . 1 1 1 28 GLU HG3 . . . . . . 272 . 18729 12 >> 71 1 . 2 . . 2.159 . 1 1 1 28 GLU HG2 . . . . . . 273 . 18729 12 >> 71 2 . 1 . . 37.044 . 1 1 1 28 GLU CG . . . . . . 298 . 18729 12 >> 72 1 . 1 . . 2.304 . 1 1 1 2 GLU HG2 . . . . . . 245 . 18729 12 >> 72 1 . 2 . . 2.304 . 1 1 1 2 GLU HG3 . . . . . . 246 . 18729 12 >> 72 2 . 1 . . 36.397 . 1 1 1 2 GLU CG . . . . . . 276 . 18729 12 >> 73 1 . 1 . . 2.419 . 1 1 1 5 GLU HG2 . . . . . . 250 . 18729 12 >> 73 2 . 1 . . 35.966 . 1 1 1 5 GLU CG . . . . . . 279 . 18729 12 >> 74 1 . 1 . . 2.351 . 1 1 1 5 GLU HG3 . . . . . . 249 . 18729 12 >> 74 2 . 1 . . 35.965 . 1 1 1 5 GLU CG . . . . . . 279 . 18729 12 >> 75 1 . 1 . . 2.531 . 1 1 1 16 MET HG3 . . . . . . 264 . 18729 12 >> 75 2 . 1 . . 32.906 . 1 1 1 16 MET CG . . . . . . 292 . 18729 12 >> 76 1 . 1 . . 2.483 . 1 1 1 16 MET HG2 . . . . . . 263 . 18729 12 >> 76 2 . 1 . . 32.899 . 1 1 1 16 MET CG . . . . . . 292 . 18729 12 >> 77 1 . 1 . . 3.616 . 1 1 1 19 TRP HB3 . . . . . . 194 . 18729 12 >> 77 2 . 1 . . 30.251 . 1 1 1 19 TRP CB . . . . . . 78 . 18729 12 >> 78 1 . 1 . . 3.035 . 1 1 1 19 TRP HB2 . . . . . . 193 . 18729 12 >> 78 2 . 1 . . 30.251 . 1 1 1 19 TRP CB . . . . . . 78 . 18729 12 >> 79 1 . 1 . . 1.651 . 1 1 1 23 ARG HB2 . . . . . . 183 . 18729 12 >> 79 1 . 2 . . 1.651 . 1 1 1 23 ARG HB3 . . . . . . 184 . 18729 12 >> 79 2 . 1 . . 34.629 . 1 1 1 23 ARG CB . . . . . . 101 . 18729 12 >> 80 1 . 1 . . 1.762 . 1 1 1 30 ARG HB2 . . . . . . 162 . 18729 12 >> 80 2 . 1 . . 34.383 . 1 1 1 30 ARG CB . . . . . . 85 . 18729 12 >> 81 1 . 1 . . 1.900 . 1 1 1 15 LYS HB3 . . . . . . 203 . 18729 12 >> 81 2 . 1 . . 34.022 . 1 1 1 15 LYS CB . . . . . . 140 . 18729 12 >> 82 1 . 1 . . 1.804 . 1 1 1 15 LYS HB2 . . . . . . 202 . 18729 12 >> 82 2 . 1 . . 34.058 . 1 1 1 15 LYS CB . . . . . . 140 . 18729 12 >> 83 1 . 1 . . 2.077 . 1 1 1 30 ARG HB3 . . . . . . 163 . 18729 12 >> 83 2 . 1 . . 34.388 . 1 1 1 30 ARG CB . . . . . . 85 . 18729 12 >> 84 1 . 1 . . 2.285 . 1 1 1 16 MET HB3 . . . . . . 200 . 18729 12 >> 84 2 . 1 . . 34.021 . 1 1 1 16 MET CB . . . . . . 82 . 18729 12 >> 85 1 . 1 . . 2.134 . 1 1 1 4 VAL HB . . . . . . 227 . 18729 12 >> 85 2 . 1 . . 32.433 . 1 1 1 4 VAL CB . . . . . . 99 . 18729 12 >> 86 1 . 1 . . 2.004 . 1 1 1 13 PRO HB3 . . . . . . 209 . 18729 12 >> 86 1 . 2 . . 2.004 . 1 1 1 13 PRO HB2 . . . . . . 210 . 18729 12 >> 86 2 . 1 . . 31.951 . 1 1 1 13 PRO CB . . . . . . 117 . 18729 12 >> 87 1 . 1 . . 1.947 . 1 1 1 11 PRO HB3 . . . . . . 212 . 18729 12 >> 87 2 . 1 . . 32.590 . 1 1 1 11 PRO CB . . . . . . 121 . 18729 12 >> 88 1 . 1 . . 1.892 . 1 1 1 28 GLU HB2 . . . . . . 169 . 18729 12 >> 88 1 . 2 . . 1.892 . 1 1 1 28 GLU HB3 . . . . . . 168 . 18729 12 >> 88 2 . 1 . . 33.678 . 1 1 1 28 GLU CB . . . . . . 90 . 18729 12 >> 89 1 . 1 . . 1.707 . 1 1 1 16 MET HB2 . . . . . . 199 . 18729 12 >> 89 2 . 1 . . 33.879 . 1 1 1 16 MET CB . . . . . . 82 . 18729 12 >> 90 1 . 1 . . 1.669 . 1 1 1 11 PRO HB2 . . . . . . 211 . 18729 12 >> 90 2 . 1 . . 32.598 . 1 1 1 11 PRO CB . . . . . . 121 . 18729 12 >> 91 1 . 1 . . 2.203 . 1 1 1 5 GLU HB3 . . . . . . 225 . 18729 12 >> 91 2 . 1 . . 30.617 . 1 1 1 5 GLU CB . . . . . . 97 . 18729 12 >> 92 1 . 2 . . 2.133 . 1 1 1 2 GLU HB3 . . . . . . 233 . 18729 12 >> 92 2 . 2 . . 30.432 . 1 1 1 2 GLU CB . . . . . . 152 . 18729 12 >> 93 1 . 1 . . 2.014 . 1 1 1 5 GLU HB2 . . . . . . 224 . 18729 12 >> 93 2 . 1 . . 30.621 . 1 1 1 5 GLU CB . . . . . . 97 . 18729 12 >> 94 1 . 1 . . 1.919 . 1 1 1 2 GLU HB2 . . . . . . 232 . 18729 12 >> 94 2 . 1 . . 30.421 . 1 1 1 2 GLU CB . . . . . . 152 . 18729 12 >> 95 1 . 1 . . 2.073 . 1 1 1 14 GLU HB3 . . . . . . 206 . 18729 12 >> 95 1 . 2 . . 2.073 . 1 1 1 14 GLU HB2 . . . . . . 207 . 18729 12 >> 95 2 . 1 . . 29.045 . 1 1 1 14 GLU CB . . . . . . 114 . 18729 12 >> 96 1 . 2 . . 1.972 . 1 1 1 13 PRO HG3 . . . . . . 254 . 18729 12 >> 96 2 . 1 . . 27.843 . 1 1 1 13 PRO CG . . . . . . 286 . 18729 12 >> 97 1 . 1 . . 1.984 . 1 1 1 26 ARG HB3 . . . . . . 176 . 18729 12 >> 97 2 . 1 . . 27.698 . 1 1 1 26 ARG CB . . . . . . 94 . 18729 12 >> 98 1 . 1 . . 1.817 . 1 1 1 26 ARG HB2 . . . . . . 174 . 18729 12 >> 98 2 . 1 . . 27.695 . 1 1 1 26 ARG CB . . . . . . 94 . 18729 12 >> 99 1 . 1 . . 1.705 . 1 1 1 15 LYS HD2 . . . . . . 262 . 18729 12 >> 99 1 . 2 . . 1.705 . 1 1 1 15 LYS HD3 . . . . . . 261 . 18729 12 >> 99 2 . 1 . . 29.046 . 1 1 1 15 LYS CD . . . . . . 290 . 18729 12 >> 100 1 . 1 . . 2.198 . 1 1 1 16 MET ME . . . . . . 244 . 18729 12 >> 100 2 . 1 . . 17.357 . 1 1 1 16 MET CE . . . . . . 243 . 18729 12 >> 101 1 . 1 . . 1.493 . 1 1 1 15 LYS HG3 . . . . . . 260 . 18729 12 >> 101 2 . 1 . . 25.381 . 1 1 1 15 LYS CG . . . . . . 291 . 18729 12 >> 102 1 . 1 . . 1.401 . 1 1 1 15 LYS HG2 . . . . . . 259 . 18729 12 >> 102 2 . 1 . . 25.378 . 1 1 1 15 LYS CG . . . . . . 291 . 18729 12 >> 103 1 . 1 . . 0.812 . 1 1 1 11 PRO HG2 . . . . . . 285 . 18729 12 >> 103 2 . 1 . . 25.892 . 1 1 1 11 PRO CG . . . . . . 283 . 18729 12 >> 104 1 . 1 . . 0.711 . 1 1 1 11 PRO HG3 . . . . . . 284 . 18729 12 >> 104 2 . 1 . . 25.891 . 1 1 1 11 PRO CG . . . . . . 283 . 18729 12 >> 105 1 . 1 . . 1.191 . 1 1 1 4 VAL MG2 . . . . . . 248 . 18729 12 >> 105 2 . 1 . . 22.195 . 1 1 1 4 VAL CG2 . . . . . . 277 . 18729 12 >> 106 1 . 1 . . 0.969 . 1 1 1 4 VAL MG1 . . . . . . 247 . 18729 12 >> 106 2 . 1 . . 22.118 . 1 1 1 4 VAL CG1 . . . . . . 278 . 18729 12 >> 107 1 . 1 . . 0.882 . 1 1 1 25 ILE MG . . . . . . 268 . 18729 12 >> 107 2 . 1 . . 16.984 . 1 1 1 25 ILE CG2 . . . . . . 294 . 18729 12 >> 108 1 . 1 . . 0.788 . 1 1 1 25 ILE MD . . . . . . 267 . 18729 12 >> 108 2 . 1 . . 12.092 . 1 1 1 25 ILE CD1 . . . . . . 293 . 18729 12 >> 109 1 . 1 . . 1.622 . 1 1 1 26 ARG HG2 . . . . . . 175 . 18729 12 >> 109 2 . 1 . . 28.070 . 1 1 1 26 ARG CG . . . . . . 296 . 18729 12 >> 110 1 . 1 . . 1.556 . 1 1 1 23 ARG HG2 . . . . . . 323 . 18729 12 >> 110 2 . 1 . . 26.685 . 1 1 1 23 ARG CG . . . . . . 322 . 18729 12 >> 111 1 . 1 . . 1.524 . 1 1 1 23 ARG HG3 . . . . . . 321 . 18729 12 >> 111 2 . 1 . . 26.689 . 1 1 1 23 ARG CG . . . . . . 322 . 18729 12 >> 112 1 . 1 . . 1.665 . 1 1 1 26 ARG HG3 . . . . . . 271 . 18729 12 >> 112 2 . 1 . . 28.063 . 1 1 1 26 ARG CG . . . . . . 296 . 18729 12 >> 113 1 . 1 . . 1.763 . 1 1 1 30 ARG HG2 . . . . . . 324 . 18729 12 >> 113 1 . 2 . . 1.763 . 1 1 1 30 ARG HG3 . . . . . . 326 . 18729 12 >> 113 2 . 1 . . 26.813 . 1 1 1 30 ARG CG . . . . . . 325 . 18729 12 >> 114 1 . 1 . . 1.412 . 1 1 1 25 ILE HG12 . . . . . . 327 . 18729 12 >> 114 2 . 1 . . 26.558 . 1 1 1 25 ILE CG1 . . . . . . 329 . 18729 12 >> 115 1 . 1 . . 1.111 . 1 1 1 25 ILE HG13 . . . . . . 328 . 18729 12 >> 115 2 . 1 . . 26.567 . 1 1 1 25 ILE CG1 . . . . . . 329 . 18729 12 >> 116 1 . 1 . . 2.082 . 1 1 1 13 PRO HG2 . . . . . . 253 . 18729 12 >> 116 2 . 1 . . 27.792 . 1 1 1 13 PRO CG . . . . . . 286 . 18729 12 >> 117 1 . 1 . . 3.194 . 1 1 1 30 ARG HD3 . . . . . . 275 . 18729 12 >> 117 2 . 1 . . 43.363 . 1 1 1 30 ARG CD . . . . . . 299 . 18729 12 >> 118 1 . 1 . . 3.295 . 1 1 1 26 ARG HD3 . . . . . . 269 . 18729 12 >> 118 2 . 1 . . 43.473 . 1 1 1 26 ARG CD . . . . . . 295 . 18729 12 >> 119 1 . 1 . . 3.975 . 1 1 1 1 SER HA . . . . . . 330 . 18729 12 >> 119 2 . 1 . . 57.957 . 1 1 1 1 SER CA . . . . . . 331 . 18729 12 >> 120 1 . 1 . . 3.949 . 1 1 1 1 SER HB3 . . . . . . 332 . 18729 12 >> 120 2 . 1 . . 64.309 . 1 1 1 1 SER CB . . . . . . 333 . 18729 12 >> 121 1 . 1 . . 3.972 . 1 1 1 1 SER HB2 . . . . . . 334 . 18729 12 >> 121 2 . 2 . . 64.309 . 1 1 1 1 SER CB . . . . . . 333 . 18729 12 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '2D 1H-15N HSQC/HMQC' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N stop_ _Sample_label $13C_15N _Sample_conditions_label $Standard _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13 >> _Spectral_peak_list.Entry_ID 18729 >> _Spectral_peak_list.ID 13 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $13C_15N >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Standard >> _Spectral_peak_list.Experiment_ID 13 >> _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC/HMQC' >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . 2968.750000 . . . 18729 13 >> 2 N 15 15N . 2128.626325 . . . 18729 13 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18729 13 >> 2 1.0 . 18729 13 >> 3 1.0 . 18729 13 >> 4 1.0 . 18729 13 >> 5 1.0 . 18729 13 >> 6 1.0 . 18729 13 >> 7 1.0 . 18729 13 >> 8 1.0 . 18729 13 >> 9 1.0 . 18729 13 >> 10 1.0 . 18729 13 >> 11 1.0 . 18729 13 >> 12 1.0 . 18729 13 >> 13 1.0 . 18729 13 >> 14 1.0 . 18729 13 >> 15 1.0 . 18729 13 >> 16 1.0 . 18729 13 >> 17 1.0 . 18729 13 >> 18 1.0 . 18729 13 >> 19 1.0 . 18729 13 >> 20 1.0 . 18729 13 >> 21 1.0 . 18729 13 >> 22 1.0 . 18729 13 >> 23 1.0 . 18729 13 >> 24 1.0 . 18729 13 >> 25 1.0 . 18729 13 >> 26 1.0 . 18729 13 >> 27 1.0 . 18729 13 >> 28 1.0 . 18729 13 >> 29 1.0 . 18729 13 >> 30 1.0 . 18729 13 >> 31 1.0 . 18729 13 >> 32 1.0 . 18729 13 >> 33 1.0 . 18729 13 >> 34 1.0 . 18729 13 >> 35 1.0 . 18729 13 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 1633614.2500 . height 18729 13 >> 1 13185656.0000 . volume 18729 13 >> 2 2069859.6250 . height 18729 13 >> 2 16288143.0000 . volume 18729 13 >> 3 1200606.0000 . height 18729 13 >> 3 9750031.8750 . volume 18729 13 >> 4 1672008.6250 . height 18729 13 >> 4 13202093.6250 . volume 18729 13 >> 5 1129379.7500 . height 18729 13 >> 5 9136588.8125 . volume 18729 13 >> 6 1780903.3750 . height 18729 13 >> 6 14197842.0000 . volume 18729 13 >> 7 1743761.6250 . height 18729 13 >> 7 13992991.1250 . volume 18729 13 >> 8 1660216.2500 . height 18729 13 >> 8 13383965.6250 . volume 18729 13 >> 9 1933174.2500 . height 18729 13 >> 9 15114476.7500 . volume 18729 13 >> 10 2018307.3750 . height 18729 13 >> 10 15856466.1250 . volume 18729 13 >> 11 1043871.3125 . height 18729 13 >> 11 8366235.1875 . volume 18729 13 >> 12 1899018.5000 . height 18729 13 >> 12 15101170.6250 . volume 18729 13 >> 13 1611280.5000 . height 18729 13 >> 13 12935591.8750 . volume 18729 13 >> 14 1698628.0000 . height 18729 13 >> 14 13459262.5000 . volume 18729 13 >> 15 2037320.3750 . height 18729 13 >> 15 16003061.0000 . volume 18729 13 >> 16 2382956.5000 . height 18729 13 >> 16 18854493.8750 . volume 18729 13 >> 17 1939626.8750 . height 18729 13 >> 17 15545861.5000 . volume 18729 13 >> 18 2299615.5000 . height 18729 13 >> 18 18125368.7500 . volume 18729 13 >> 19 2265914.7500 . height 18729 13 >> 19 17969404.6250 . volume 18729 13 >> 20 2209842.2500 . height 18729 13 >> 20 17240977.1250 . volume 18729 13 >> 21 2026606.1250 . height 18729 13 >> 21 16308808.8750 . volume 18729 13 >> 22 1678499.2500 . height 18729 13 >> 22 13359336.5000 . volume 18729 13 >> 23 1914656.8750 . height 18729 13 >> 23 15375914.2500 . volume 18729 13 >> 24 1518341.5000 . height 18729 13 >> 24 12233438.5000 . volume 18729 13 >> 25 1758286.2500 . height 18729 13 >> 25 14165254.3750 . volume 18729 13 >> 26 1838740.7500 . height 18729 13 >> 26 14902993.8750 . volume 18729 13 >> 27 1973525.1250 . height 18729 13 >> 27 16059014.7500 . volume 18729 13 >> 28 2034939.0000 . height 18729 13 >> 28 15993610.1250 . volume 18729 13 >> 29 1579076.8750 . height 18729 13 >> 29 12814917.2500 . volume 18729 13 >> 30 1597101.5000 . height 18729 13 >> 30 12951393.1250 . volume 18729 13 >> 31 1744734.2500 . height 18729 13 >> 31 14039085.0000 . volume 18729 13 >> 32 1846643.1250 . height 18729 13 >> 32 14764055.6250 . volume 18729 13 >> 33 1182227.1250 . height 18729 13 >> 33 9458642.6875 . volume 18729 13 >> 34 950483.2500 . height 18729 13 >> 34 7583470.3750 . volume 18729 13 >> 35 1838787.6250 . height 18729 13 >> 35 14578696.5000 . volume 18729 13 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 8.765 . 22.5076079369 . . . . . . . . . . 1 18729 13 >> 1 2 132.466 . 32.3415053031 . . . . . . . . . . 1 18729 13 >> 2 1 9.006 . 19.8716670275 . . . . . . . . . . 1 18729 13 >> 2 2 129.752 . 32.4788644499 . . . . . . . . . . 1 18729 13 >> 3 1 9.291 . 24.3539363146 . . . . . . . . . . 1 18729 13 >> 3 2 128.815 . 33.1669765224 . . . . . . . . . . 1 18729 13 >> 4 1 9.816 . 20.3736871481 . . . . . . . . . . 1 18729 13 >> 4 2 127.173 . 30.8668412291 . . . . . . . . . . 1 18729 13 >> 5 1 10.624 . 23.3401916921 . . . . . . . . . . 1 18729 13 >> 5 2 127.119 . 33.9377483194 . . . . . . . . . . 1 18729 13 >> 6 1 8.226 . 21.1329758167 . . . . . . . . . . 1 18729 13 >> 6 2 126.838 . 33.2653688728 . . . . . . . . . . 1 18729 13 >> 7 1 9.162 . 21.7671692371 . . . . . . . . . . 1 18729 13 >> 7 2 125.300 . 32.3089140265 . . . . . . . . . . 1 18729 13 >> 8 1 9.622 . 22.1291929483 . . . . . . . . . . 1 18729 13 >> 8 2 125.080 . 34.7265999487 . . . . . . . . . . 1 18729 13 >> 9 1 8.995 . 19.1092491150 . . . . . . . . . . 1 18729 13 >> 9 2 125.067 . 32.2595592563 . . . . . . . . . . 1 18729 13 >> 10 1 9.265 . 19.8139995337 . . . . . . . . . . 1 18729 13 >> 10 2 122.599 . 31.8349686689 . . . . . . . . . . 1 18729 13 >> 11 1 6.935 . 21.5886533260 . . . . . . . . . . 1 18729 13 >> 11 2 122.540 . 34.5381890649 . . . . . . . . . . 1 18729 13 >> 12 1 8.810 . 20.6330418587 . . . . . . . . . . 1 18729 13 >> 12 2 121.853 . 33.5120792859 . . . . . . . . . . 1 18729 13 >> 13 1 7.879 . 21.3827192783 . . . . . . . . . . 1 18729 13 >> 13 2 121.242 . 35.3703054156 . . . . . . . . . . 1 18729 13 >> 14 1 9.448 . 20.1894342899 . . . . . . . . . . 1 18729 13 >> 14 2 120.693 . 34.0795322672 . . . . . . . . . . 1 18729 13 >> 15 1 8.449 . 19.3737447262 . . . . . . . . . . 1 18729 13 >> 15 2 120.566 . 32.9935370086 . . . . . . . . . . 1 18729 13 >> 16 1 8.740 . 20.2180445194 . . . . . . . . . . 1 18729 13 >> 16 2 119.863 . 37.5479419156 . . . . . . . . . . 1 18729 13 >> 17 1 8.623 . 22.0140814781 . . . . . . . . . . 1 18729 13 >> 17 2 119.825 . 33.0206250380 . . . . . . . . . . 1 18729 13 >> 18 1 8.725 . 19.7458267212 . . . . . . . . . . 1 18729 13 >> 18 2 119.248 . 61.3118197051 . . . . . . . . . . 1 18729 13 >> 19 1 8.268 . 20.4220414162 . . . . . . . . . . 1 18729 13 >> 19 2 118.053 . 34.1982882182 . . . . . . . . . . 1 18729 13 >> 20 1 8.134 . 19.1575288773 . . . . . . . . . . 1 18729 13 >> 20 2 117.023 . 31.4290922938 . . . . . . . . . . 1 18729 13 >> 21 1 7.458 . 22.2331285477 . . . . . . . . . . 1 18729 13 >> 21 2 116.261 . 32.7760080793 . . . . . . . . . . 1 18729 13 >> 22 1 8.708 . 20.8212435246 . . . . . . . . . . 1 18729 13 >> 22 2 115.634 . 33.4351289822 . . . . . . . . . . 1 18729 13 >> 23 1 7.935 . 22.2054123878 . . . . . . . . . . 1 18729 13 >> 23 2 114.833 . 32.1083864833 . . . . . . . . . . 1 18729 13 >> 24 1 8.444 . 21.9880044460 . . . . . . . . . . 1 18729 13 >> 24 2 114.535 . 34.7635208693 . . . . . . . . . . 1 18729 13 >> 25 1 9.570 . 22.1928209066 . . . . . . . . . . 1 18729 13 >> 25 2 113.091 . 33.1265665114 . . . . . . . . . . 1 18729 13 >> 26 1 7.656 . 22.4128365517 . . . . . . . . . . 1 18729 13 >> 26 2 112.819 . 37.1697245120 . . . . . . . . . . 1 18729 13 >> 27 1 7.030 . 21.5899944305 . . . . . . . . . . 1 18729 13 >> 27 2 112.795 . 39.2090027165 . . . . . . . . . . 1 18729 13 >> 28 1 7.629 . 18.7969207764 . . . . . . . . . . 1 18729 13 >> 28 2 111.397 . 35.9976438766 . . . . . . . . . . 1 18729 13 >> 29 1 7.041 . 21.7168033123 . . . . . . . . . . 1 18729 13 >> 29 2 111.348 . 37.2246618269 . . . . . . . . . . 1 18729 13 >> 30 1 8.889 . 23.0181217194 . . . . . . . . . . 1 18729 13 >> 30 2 109.340 . 33.8758962616 . . . . . . . . . . 1 18729 13 >> 31 1 7.660 . 22.0444798470 . . . . . . . . . . 1 18729 13 >> 31 2 109.215 . 34.6712820057 . . . . . . . . . . 1 18729 13 >> 32 1 8.328 . 22.0514833927 . . . . . . . . . . 1 18729 13 >> 32 2 108.191 . 34.7279955848 . . . . . . . . . . 1 18729 13 >> 33 1 8.000 . 21.1316347122 . . . . . . . . . . 1 18729 13 >> 33 2 108.108 . 33.7812467537 . . . . . . . . . . 1 18729 13 >> 34 1 6.855 . 21.1882591248 . . . . . . . . . . 1 18729 13 >> 34 2 108.086 . 32.8107721076 . . . . . . . . . . 1 18729 13 >> 35 1 8.395 . 20.5385684967 . . . . . . . . . . 1 18729 13 >> 35 2 106.019 . 30.9864218741 . . . . . . . . . . 1 18729 13 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 . 1 . . 8.765 . 1 1 1 25 ILE H . . . . . . 12 . 18729 13 >> 1 2 . 1 . . 132.466 . 1 1 1 25 ILE N . . . . . . 13 . 18729 13 >> 2 1 . 1 . . 9.006 . 1 1 1 5 GLU H . . . . . . 5 . 18729 13 >> 2 2 . 1 . . 129.752 . 1 1 1 5 GLU N . . . . . . 6 . 18729 13 >> 3 1 . 1 . . 9.291 . 1 1 1 26 ARG H . . . . . . 26 . 18729 13 >> 3 2 . 1 . . 128.815 . 1 1 1 26 ARG N . . . . . . 27 . 18729 13 >> 4 1 . 1 . . 9.816 . 1 1 1 19 TRP HE1 . . . . . . 32 . 18729 13 >> 4 2 . 1 . . 127.173 . 1 1 1 19 TRP NE1 . . . . . . 33 . 18729 13 >> 5 1 . 1 . . 10.624 . 1 1 1 24 CYS H . . . . . . 40 . 18729 13 >> 5 2 . 1 . . 127.119 . 1 1 1 24 CYS N . . . . . . 41 . 18729 13 >> 6 1 . 1 . . 8.226 . 1 1 1 19 TRP H . . . . . . 46 . 18729 13 >> 6 2 . 1 . . 126.838 . 1 1 1 19 TRP N . . . . . . 47 . 18729 13 >> 7 1 . 1 . . 9.162 . 1 1 1 23 ARG H . . . . . . 52 . 18729 13 >> 7 2 . 1 . . 125.300 . 1 1 1 23 ARG N . . . . . . 53 . 18729 13 >> 8 1 . 1 . . 9.622 . 1 1 1 30 ARG H . . . . . . 59 . 18729 13 >> 8 2 . 1 . . 125.080 . 1 1 1 30 ARG N . . . . . . 60 . 18729 13 >> 9 1 . 1 . . 8.995 . 1 1 1 29 CYS H . . . . . . 61 . 18729 13 >> 9 2 . 1 . . 125.067 . 1 1 1 29 CYS N . . . . . . 62 . 18729 13 >> 10 1 . 1 . . 9.265 . 1 1 1 21 CYS H . . . . . . 3 . 18729 13 >> 10 2 . 1 . . 122.599 . 1 1 1 21 CYS N . . . . . . 4 . 18729 13 >> 11 1 . 1 . . 6.935 . 1 1 1 10 CYS H . . . . . . 9 . 18729 13 >> 11 2 . 1 . . 122.540 . 1 1 1 10 CYS N . . . . . . 10 . 18729 13 >> 12 1 . 1 . . 8.810 . 1 1 1 4 VAL H . . . . . . 42 . 18729 13 >> 12 2 . 1 . . 121.853 . 1 1 1 4 VAL N . . . . . . 43 . 18729 13 >> 13 1 . 1 . . 7.879 . 1 1 1 28 GLU H . . . . . . 22 . 18729 13 >> 13 2 . 1 . . 121.242 . 1 1 1 28 GLU N . . . . . . 23 . 18729 13 >> 14 1 . 1 . . 9.448 . 1 1 1 20 CYS H . . . . . . 30 . 18729 13 >> 14 2 . 1 . . 120.693 . 1 1 1 20 CYS N . . . . . . 31 . 18729 13 >> 15 1 . 1 . . 8.449 . 1 1 1 9 PHE H . . . . . . 36 . 18729 13 >> 15 2 . 1 . . 120.566 . 1 1 1 9 PHE N . . . . . . 37 . 18729 13 >> 16 1 . 1 . . 8.740 . 1 1 1 14 GLU H . . . . . . 48 . 18729 13 >> 16 2 . 1 . . 119.863 . 1 1 1 14 GLU N . . . . . . 49 . 18729 13 >> 17 1 . 1 . . 8.623 . 1 1 1 18 ASP H . . . . . . 56 . 18729 13 >> 17 2 . 1 . . 119.825 . 1 1 1 18 ASP N . . . . . . 57 . 18729 13 >> 18 1 . 1 . . 8.725 . 1 1 1 6 ASN H . . . . . . 63 . 18729 13 >> 18 2 . 1 . . 119.248 . 1 1 1 6 ASN N . . . . . . 64 . 18729 13 >> 19 1 . 1 . . 8.268 . 1 1 1 3 CYS H . . . . . . 54 . 18729 13 >> 19 2 . 1 . . 118.053 . 1 1 1 3 CYS N . . . . . . 55 . 18729 13 >> 20 1 . 1 . . 8.134 . 1 1 1 12 ASP H . . . . . . 14 . 18729 13 >> 20 2 . 1 . . 117.023 . 1 1 1 12 ASP N . . . . . . 15 . 18729 13 >> 21 1 . 1 . . 7.458 . 1 1 1 15 LYS H . . . . . . 18 . 18729 13 >> 21 2 . 1 . . 116.261 . 1 1 1 15 LYS N . . . . . . 19 . 18729 13 >> 22 1 . 1 . . 8.708 . 1 1 1 31 ASN H . . . . . . 24 . 18729 13 >> 22 2 . 1 . . 115.634 . 1 1 1 31 ASN N . . . . . . 25 . 18729 13 >> 23 1 . 1 . . 7.935 . 1 1 1 16 MET H . . . . . . 38 . 18729 13 >> 23 2 . 1 . . 114.833 . 1 1 1 16 MET N . . . . . . 39 . 18729 13 >> 24 1 . 1 . . 8.444 . 1 1 1 32 GLY H . . . . . . 44 . 18729 13 >> 24 2 . 1 . . 114.535 . 1 1 1 32 GLY N . . . . . . 45 . 18729 13 >> 25 1 . 1 . . 9.570 . 1 1 1 7 GLY H . . . . . . 50 . 18729 13 >> 25 2 . 1 . . 113.091 . 1 1 1 7 GLY N . . . . . . 51 . 18729 13 >> 26 1 . 1 . . 7.656 . 1 1 1 31 ASN HD21 . . . . . . 58 . 18729 13 >> 26 2 . 1 . . 112.819 . 1 1 1 31 ASN ND2 . . . . . . 66 . 18729 13 >> 27 1 . 1 . . 7.030 . 1 1 1 31 ASN HD22 . . . . . . 67 . 18729 13 >> 27 2 . 1 . . 112.795 . 1 1 1 31 ASN ND2 . . . . . . 66 . 18729 13 >> 28 1 . 1 . . 7.629 . 1 1 1 6 ASN HD21 . . . . . . 7 . 18729 13 >> 28 2 . 1 . . 111.397 . 1 1 1 6 ASN ND2 . . . . . . 8 . 18729 13 >> 29 1 . 1 . . 7.041 . 1 1 1 6 ASN HD22 . . . . . . 11 . 18729 13 >> 29 2 . 1 . . 111.348 . 1 1 1 6 ASN ND2 . . . . . . 8 . 18729 13 >> 30 1 . 1 . . 8.889 . 1 1 1 22 GLY H . . . . . . 16 . 18729 13 >> 30 2 . 1 . . 109.340 . 1 1 1 22 GLY N . . . . . . 17 . 18729 13 >> 31 1 . 1 . . 7.660 . 1 1 1 17 GLY H . . . . . . 20 . 18729 13 >> 31 2 . 1 . . 109.215 . 1 1 1 17 GLY N . . . . . . 21 . 18729 13 >> 32 1 . 1 . . 8.328 . 1 1 1 8 GLY H . . . . . . 28 . 18729 13 >> 32 2 . 1 . . 108.191 . 1 1 1 8 GLY N . . . . . . 29 . 18729 13 >> 33 1 . 1 . . 8.000 . 1 1 1 27 ASN HD22 . . . . . . 34 . 18729 13 >> 33 2 . 1 . . 108.108 . 1 1 1 27 ASN ND2 . . . . . . 35 . 18729 13 >> 34 1 . 1 . . 6.855 . 1 1 1 27 ASN HD21 . . . . . . 65 . 18729 13 >> 34 2 . 1 . . 108.086 . 1 1 1 27 ASN ND2 . . . . . . 35 . 18729 13 >> 35 1 . 1 . . 8.395 . 1 1 1 27 ASN H . . . . . . 1 . 18729 13 >> 35 2 . 1 . . 106.019 . 1 1 1 27 ASN N . . . . . . 2 . 18729 13 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '13C HSQC-NOESY (H[{N|C}]_H.through-space)' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 H 1H 3 C 13C stop_ _Sample_label $13C_15N _Sample_conditions_label $Standard _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14 >> _Spectral_peak_list.Entry_ID 18729 >> _Spectral_peak_list.ID 14 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $13C_15N >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Standard >> _Spectral_peak_list.Experiment_ID 14 >> _Spectral_peak_list.Experiment_name '13C HSQC-NOESY (H[{N|C}]_H.through-space)' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . 3046.87500000 . . . 18729 14 >> 2 H 1 1H . 7246.37681159 . . . 18729 14 >> 3 C 13 13C . 9090.90909091 . . . 18729 14 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18729 14 >> 2 1.0 . 18729 14 >> 3 1.0 . 18729 14 >> 4 1.0 . 18729 14 >> 5 1.0 . 18729 14 >> 6 1.0 . 18729 14 >> 7 1.0 . 18729 14 >> 8 1.0 . 18729 14 >> 9 1.0 . 18729 14 >> 10 1.0 . 18729 14 >> 11 1.0 . 18729 14 >> 12 1.0 . 18729 14 >> 13 1.0 . 18729 14 >> 14 1.0 . 18729 14 >> 15 1.0 . 18729 14 >> 16 1.0 . 18729 14 >> 17 1.0 . 18729 14 >> 18 1.0 . 18729 14 >> 19 1.0 . 18729 14 >> 20 1.0 . 18729 14 >> 21 1.0 . 18729 14 >> 22 1.0 . 18729 14 >> 23 1.0 . 18729 14 >> 24 1.0 . 18729 14 >> 25 1.0 . 18729 14 >> 26 1.0 . 18729 14 >> 27 1.0 . 18729 14 >> 28 1.0 . 18729 14 >> 29 1.0 . 18729 14 >> 30 1.0 . 18729 14 >> 31 1.0 . 18729 14 >> 32 1.0 . 18729 14 >> 33 1.0 . 18729 14 >> 34 1.0 . 18729 14 >> 35 1.0 . 18729 14 >> 36 1.0 . 18729 14 >> 37 1.0 . 18729 14 >> 38 1.0 . 18729 14 >> 39 1.0 . 18729 14 >> 40 1.0 . 18729 14 >> 41 1.0 . 18729 14 >> 42 1.0 . 18729 14 >> 43 1.0 . 18729 14 >> 44 1.0 . 18729 14 >> 45 1.0 . 18729 14 >> 46 1.0 . 18729 14 >> 47 1.0 . 18729 14 >> 48 1.0 . 18729 14 >> 49 1.0 . 18729 14 >> 50 1.0 . 18729 14 >> 51 1.0 . 18729 14 >> 52 1.0 . 18729 14 >> 53 1.0 . 18729 14 >> 54 1.0 . 18729 14 >> 55 1.0 . 18729 14 >> 56 1.0 . 18729 14 >> 57 1.0 . 18729 14 >> 58 1.0 . 18729 14 >> 59 1.0 . 18729 14 >> 60 1.0 . 18729 14 >> 61 1.0 . 18729 14 >> 62 1.0 . 18729 14 >> 63 1.0 . 18729 14 >> 64 1.0 . 18729 14 >> 65 1.0 . 18729 14 >> 66 1.0 . 18729 14 >> 67 1.0 . 18729 14 >> 68 1.0 . 18729 14 >> 69 1.0 . 18729 14 >> 70 1.0 . 18729 14 >> 71 1.0 . 18729 14 >> 72 1.0 . 18729 14 >> 73 1.0 . 18729 14 >> 74 1.0 . 18729 14 >> 75 1.0 . 18729 14 >> 76 1.0 . 18729 14 >> 77 1.0 . 18729 14 >> 78 1.0 . 18729 14 >> 79 1.0 . 18729 14 >> 80 1.0 . 18729 14 >> 81 1.0 . 18729 14 >> 82 1.0 . 18729 14 >> 83 1.0 . 18729 14 >> 84 1.0 . 18729 14 >> 85 1.0 . 18729 14 >> 86 1.0 . 18729 14 >> 87 1.0 . 18729 14 >> 88 1.0 . 18729 14 >> 89 1.0 . 18729 14 >> 90 1.0 . 18729 14 >> 91 1.0 . 18729 14 >> 92 1.0 . 18729 14 >> 93 1.0 . 18729 14 >> 94 1.0 . 18729 14 >> 95 1.0 . 18729 14 >> 96 1.0 . 18729 14 >> 97 1.0 . 18729 14 >> 98 1.0 . 18729 14 >> 99 1.0 . 18729 14 >> 100 1.0 . 18729 14 >> 101 1.0 . 18729 14 >> 102 1.0 . 18729 14 >> 103 1.0 . 18729 14 >> 104 1.0 . 18729 14 >> 105 1.0 . 18729 14 >> 106 1.0 . 18729 14 >> 107 1.0 . 18729 14 >> 108 1.0 . 18729 14 >> 109 1.0 . 18729 14 >> 110 1.0 . 18729 14 >> 111 1.0 . 18729 14 >> 112 1.0 . 18729 14 >> 113 1.0 . 18729 14 >> 114 1.0 . 18729 14 >> 115 1.0 . 18729 14 >> 116 1.0 . 18729 14 >> 117 1.0 . 18729 14 >> 118 1.0 . 18729 14 >> 119 1.0 . 18729 14 >> 120 1.0 . 18729 14 >> 121 1.0 . 18729 14 >> 122 1.0 . 18729 14 >> 123 1.0 . 18729 14 >> 124 1.0 . 18729 14 >> 125 1.0 . 18729 14 >> 126 1.0 . 18729 14 >> 127 1.0 . 18729 14 >> 128 1.0 . 18729 14 >> 129 1.0 . 18729 14 >> 130 1.0 . 18729 14 >> 131 1.0 . 18729 14 >> 132 1.0 . 18729 14 >> 133 1.0 . 18729 14 >> 134 1.0 . 18729 14 >> 135 1.0 . 18729 14 >> 136 1.0 . 18729 14 >> 137 1.0 . 18729 14 >> 138 1.0 . 18729 14 >> 139 1.0 . 18729 14 >> 140 1.0 . 18729 14 >> 141 1.0 . 18729 14 >> 142 1.0 . 18729 14 >> 143 1.0 . 18729 14 >> 144 1.0 . 18729 14 >> 145 1.0 . 18729 14 >> 146 1.0 . 18729 14 >> 147 1.0 . 18729 14 >> 148 1.0 . 18729 14 >> 149 1.0 . 18729 14 >> 150 1.0 . 18729 14 >> 151 1.0 . 18729 14 >> 152 1.0 . 18729 14 >> 153 1.0 . 18729 14 >> 154 1.0 . 18729 14 >> 155 1.0 . 18729 14 >> 156 1.0 . 18729 14 >> 157 1.0 . 18729 14 >> 158 1.0 . 18729 14 >> 159 1.0 . 18729 14 >> 160 1.0 . 18729 14 >> 161 1.0 . 18729 14 >> 162 1.0 . 18729 14 >> 163 1.0 . 18729 14 >> 164 1.0 . 18729 14 >> 165 1.0 . 18729 14 >> 166 1.0 . 18729 14 >> 167 1.0 . 18729 14 >> 168 1.0 . 18729 14 >> 169 1.0 . 18729 14 >> 170 1.0 . 18729 14 >> 171 1.0 . 18729 14 >> 172 1.0 . 18729 14 >> 173 1.0 . 18729 14 >> 174 1.0 . 18729 14 >> 175 1.0 . 18729 14 >> 176 1.0 . 18729 14 >> 177 1.0 . 18729 14 >> 178 1.0 . 18729 14 >> 179 1.0 . 18729 14 >> 180 1.0 . 18729 14 >> 181 1.0 . 18729 14 >> 182 1.0 . 18729 14 >> 183 1.0 . 18729 14 >> 184 1.0 . 18729 14 >> 185 1.0 . 18729 14 >> 186 1.0 . 18729 14 >> 187 1.0 . 18729 14 >> 188 1.0 . 18729 14 >> 189 1.0 . 18729 14 >> 190 1.0 . 18729 14 >> 191 1.0 . 18729 14 >> 192 1.0 . 18729 14 >> 193 1.0 . 18729 14 >> 194 1.0 . 18729 14 >> 195 1.0 . 18729 14 >> 196 1.0 . 18729 14 >> 197 1.0 . 18729 14 >> 198 1.0 . 18729 14 >> 199 1.0 . 18729 14 >> 200 1.0 . 18729 14 >> 201 1.0 . 18729 14 >> 202 1.0 . 18729 14 >> 203 1.0 . 18729 14 >> 204 1.0 . 18729 14 >> 205 1.0 . 18729 14 >> 206 1.0 . 18729 14 >> 207 1.0 . 18729 14 >> 208 1.0 . 18729 14 >> 209 1.0 . 18729 14 >> 210 1.0 . 18729 14 >> 211 1.0 . 18729 14 >> 212 1.0 . 18729 14 >> 213 1.0 . 18729 14 >> 214 1.0 . 18729 14 >> 215 1.0 . 18729 14 >> 216 1.0 . 18729 14 >> 217 1.0 . 18729 14 >> 218 1.0 . 18729 14 >> 219 1.0 . 18729 14 >> 220 1.0 . 18729 14 >> 221 1.0 . 18729 14 >> 222 1.0 . 18729 14 >> 223 1.0 . 18729 14 >> 224 1.0 . 18729 14 >> 225 1.0 . 18729 14 >> 226 1.0 . 18729 14 >> 227 1.0 . 18729 14 >> 228 1.0 . 18729 14 >> 229 1.0 . 18729 14 >> 230 1.0 . 18729 14 >> 231 1.0 . 18729 14 >> 232 1.0 . 18729 14 >> 233 1.0 . 18729 14 >> 234 1.0 . 18729 14 >> 235 1.0 . 18729 14 >> 236 1.0 . 18729 14 >> 237 1.0 . 18729 14 >> 238 1.0 . 18729 14 >> 239 1.0 . 18729 14 >> 240 1.0 . 18729 14 >> 241 1.0 . 18729 14 >> 242 1.0 . 18729 14 >> 243 1.0 . 18729 14 >> 244 1.0 . 18729 14 >> 245 1.0 . 18729 14 >> 246 1.0 . 18729 14 >> 247 1.0 . 18729 14 >> 248 1.0 . 18729 14 >> 249 1.0 . 18729 14 >> 250 1.0 . 18729 14 >> 251 1.0 . 18729 14 >> 252 1.0 . 18729 14 >> 253 1.0 . 18729 14 >> 254 1.0 . 18729 14 >> 255 1.0 . 18729 14 >> 256 1.0 . 18729 14 >> 257 1.0 . 18729 14 >> 258 1.0 . 18729 14 >> 259 1.0 . 18729 14 >> 260 1.0 . 18729 14 >> 261 1.0 . 18729 14 >> 262 1.0 . 18729 14 >> 263 1.0 . 18729 14 >> 264 1.0 . 18729 14 >> 265 1.0 . 18729 14 >> 266 1.0 . 18729 14 >> 267 1.0 . 18729 14 >> 268 1.0 . 18729 14 >> 269 1.0 . 18729 14 >> 270 1.0 . 18729 14 >> 271 1.0 . 18729 14 >> 272 1.0 . 18729 14 >> 273 1.0 . 18729 14 >> 274 1.0 . 18729 14 >> 275 1.0 . 18729 14 >> 276 1.0 . 18729 14 >> 277 1.0 . 18729 14 >> 278 1.0 . 18729 14 >> 279 1.0 . 18729 14 >> 280 1.0 . 18729 14 >> 281 1.0 . 18729 14 >> 282 1.0 . 18729 14 >> 283 1.0 . 18729 14 >> 284 1.0 . 18729 14 >> 285 1.0 . 18729 14 >> 286 1.0 . 18729 14 >> 287 1.0 . 18729 14 >> 288 1.0 . 18729 14 >> 289 1.0 . 18729 14 >> 290 1.0 . 18729 14 >> 291 1.0 . 18729 14 >> 292 1.0 . 18729 14 >> 293 1.0 . 18729 14 >> 294 1.0 . 18729 14 >> 295 1.0 . 18729 14 >> 296 1.0 . 18729 14 >> 297 1.0 . 18729 14 >> 298 1.0 . 18729 14 >> 299 1.0 . 18729 14 >> 300 1.0 . 18729 14 >> 301 1.0 . 18729 14 >> 302 1.0 . 18729 14 >> 303 1.0 . 18729 14 >> 304 1.0 . 18729 14 >> 305 1.0 . 18729 14 >> 306 1.0 . 18729 14 >> 307 1.0 . 18729 14 >> 308 1.0 . 18729 14 >> 309 1.0 . 18729 14 >> 310 1.0 . 18729 14 >> 311 1.0 . 18729 14 >> 312 1.0 . 18729 14 >> 313 1.0 . 18729 14 >> 314 1.0 . 18729 14 >> 315 1.0 . 18729 14 >> 316 1.0 . 18729 14 >> 317 1.0 . 18729 14 >> 318 1.0 . 18729 14 >> 319 1.0 . 18729 14 >> 320 1.0 . 18729 14 >> 321 1.0 . 18729 14 >> 322 1.0 . 18729 14 >> 323 1.0 . 18729 14 >> 324 1.0 . 18729 14 >> 325 1.0 . 18729 14 >> 326 1.0 . 18729 14 >> 327 1.0 . 18729 14 >> 328 1.0 . 18729 14 >> 329 1.0 . 18729 14 >> 330 1.0 . 18729 14 >> 331 1.0 . 18729 14 >> 332 1.0 . 18729 14 >> 333 1.0 . 18729 14 >> 334 1.0 . 18729 14 >> 335 1.0 . 18729 14 >> 336 1.0 . 18729 14 >> 337 1.0 . 18729 14 >> 338 1.0 . 18729 14 >> 339 1.0 . 18729 14 >> 340 1.0 . 18729 14 >> 341 1.0 . 18729 14 >> 342 1.0 . 18729 14 >> 343 1.0 . 18729 14 >> 344 1.0 . 18729 14 >> 345 1.0 . 18729 14 >> 346 1.0 . 18729 14 >> 347 1.0 . 18729 14 >> 348 1.0 . 18729 14 >> 349 1.0 . 18729 14 >> 350 1.0 . 18729 14 >> 351 1.0 . 18729 14 >> 352 1.0 . 18729 14 >> 353 1.0 . 18729 14 >> 354 1.0 . 18729 14 >> 355 1.0 . 18729 14 >> 356 1.0 . 18729 14 >> 357 1.0 . 18729 14 >> 358 1.0 . 18729 14 >> 359 1.0 . 18729 14 >> 360 1.0 . 18729 14 >> 361 1.0 . 18729 14 >> 362 1.0 . 18729 14 >> 363 1.0 . 18729 14 >> 364 1.0 . 18729 14 >> 365 1.0 . 18729 14 >> 366 1.0 . 18729 14 >> 367 1.0 . 18729 14 >> 368 1.0 . 18729 14 >> 369 1.0 . 18729 14 >> 370 1.0 . 18729 14 >> 371 1.0 . 18729 14 >> 372 1.0 . 18729 14 >> 373 1.0 . 18729 14 >> 374 1.0 . 18729 14 >> 375 1.0 . 18729 14 >> 376 1.0 . 18729 14 >> 377 1.0 . 18729 14 >> 378 1.0 . 18729 14 >> 379 1.0 . 18729 14 >> 380 1.0 . 18729 14 >> 381 1.0 . 18729 14 >> 382 1.0 . 18729 14 >> 383 1.0 . 18729 14 >> 384 1.0 . 18729 14 >> 385 1.0 . 18729 14 >> 386 1.0 . 18729 14 >> 387 1.0 . 18729 14 >> 388 1.0 . 18729 14 >> 389 1.0 . 18729 14 >> 390 1.0 . 18729 14 >> 391 1.0 . 18729 14 >> 392 1.0 . 18729 14 >> 393 1.0 . 18729 14 >> 394 1.0 . 18729 14 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 504140.5 . height 18729 14 >> 1 10702973.5 . volume 18729 14 >> 2 11525860.0 . height 18729 14 >> 2 260763437.0 . volume 18729 14 >> 3 9663172.0 . height 18729 14 >> 3 218066105.5 . volume 18729 14 >> 4 4665360.0 . height 18729 14 >> 4 107606777.5 . volume 18729 14 >> 5 1476114.5 . height 18729 14 >> 5 34280023.0 . volume 18729 14 >> 6 270915.5 . height 18729 14 >> 6 5705770.0 . volume 18729 14 >> 7 1353917.5 . height 18729 14 >> 7 29974940.5 . volume 18729 14 >> 8 7866556.5 . height 18729 14 >> 8 182518192.0 . volume 18729 14 >> 9 396043.5 . height 18729 14 >> 9 7755703.0 . volume 18729 14 >> 10 574358.0 . height 18729 14 >> 10 12508757.5 . volume 18729 14 >> 11 1145306.0 . height 18729 14 >> 11 23711455.0 . volume 18729 14 >> 12 1041027.0 . height 18729 14 >> 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1057852.0 . height 18729 14 >> 312 24251073.0 . volume 18729 14 >> 313 420503.0 . height 18729 14 >> 313 9358745.0 . volume 18729 14 >> 314 635528.0 . height 18729 14 >> 314 14282890.5 . volume 18729 14 >> 315 204339.5 . height 18729 14 >> 315 4771015.0 . volume 18729 14 >> 316 187157.5 . height 18729 14 >> 316 4078969.0 . volume 18729 14 >> 317 2162353.0 . height 18729 14 >> 317 47112142.0 . volume 18729 14 >> 318 5346936.0 . height 18729 14 >> 318 116697075.5 . volume 18729 14 >> 319 1217520.5 . height 18729 14 >> 319 26109407.5 . volume 18729 14 >> 320 947541.5 . height 18729 14 >> 320 20613112.0 . volume 18729 14 >> 321 2230247.5 . height 18729 14 >> 321 47216190.5 . volume 18729 14 >> 322 1124171.5 . height 18729 14 >> 322 25246098.0 . volume 18729 14 >> 323 592762.0 . height 18729 14 >> 323 12857154.0 . volume 18729 14 >> 324 791263.0 . height 18729 14 >> 324 17834592.0 . volume 18729 14 >> 325 291205.0 . height 18729 14 >> 325 5851614.5 . volume 18729 14 >> 326 1143101.5 . height 18729 14 >> 326 25173355.5 . volume 18729 14 >> 327 337600.0 . height 18729 14 >> 327 7480291.0 . volume 18729 14 >> 328 434830.5 . height 18729 14 >> 328 9748975.5 . volume 18729 14 >> 329 823179.0 . height 18729 14 >> 329 19193628.5 . volume 18729 14 >> 330 5829257.0 . height 18729 14 >> 330 135960798.5 . volume 18729 14 >> 331 3303873.5 . height 18729 14 >> 331 79466488.0 . volume 18729 14 >> 332 979066.0 . height 18729 14 >> 332 22752703.5 . volume 18729 14 >> 333 1752407.5 . height 18729 14 >> 333 39682468.0 . volume 18729 14 >> 334 486971.5 . height 18729 14 >> 334 10785181.0 . volume 18729 14 >> 335 2048368.5 . height 18729 14 >> 335 46353034.0 . volume 18729 14 >> 336 514184.0 . height 18729 14 >> 336 12088313.5 . volume 18729 14 >> 337 796807.5 . height 18729 14 >> 337 19016558.0 . volume 18729 14 >> 338 2624886.5 . height 18729 14 >> 338 62894584.5 . volume 18729 14 >> 339 3182822.5 . height 18729 14 >> 339 77732210.5 . volume 18729 14 >> 340 565811.5 . height 18729 14 >> 340 12365014.0 . volume 18729 14 >> 341 661469.0 . height 18729 14 >> 341 13034658.0 . volume 18729 14 >> 342 1010522.5 . height 18729 14 >> 342 22376615.5 . volume 18729 14 >> 343 403209.5 . height 18729 14 >> 343 8861312.5 . volume 18729 14 >> 344 330377.0 . height 18729 14 >> 344 7330194.0 . volume 18729 14 >> 345 445238.5 . height 18729 14 >> 345 10190625.0 . volume 18729 14 >> 346 1196265.0 . height 18729 14 >> 346 27351854.0 . volume 18729 14 >> 347 687651.5 . height 18729 14 >> 347 15188518.5 . volume 18729 14 >> 348 10839459.0 . height 18729 14 >> 348 245460648.5 . volume 18729 14 >> 349 10422862.0 . height 18729 14 >> 349 235751322.5 . volume 18729 14 >> 350 466452.0 . height 18729 14 >> 350 10575975.0 . volume 18729 14 >> 351 388884.5 . height 18729 14 >> 351 8199843.5 . volume 18729 14 >> 352 660713.0 . height 18729 14 >> 352 14448940.5 . volume 18729 14 >> 353 7778720.5 . height 18729 14 >> 353 176879420.0 . volume 18729 14 >> 354 7058534.0 . height 18729 14 >> 354 158692464.5 . volume 18729 14 >> 355 726784.5 . height 18729 14 >> 355 16338915.0 . volume 18729 14 >> 356 7490848.0 . height 18729 14 >> 356 170235137.5 . volume 18729 14 >> 357 525483.0 . height 18729 14 >> 357 11716963.0 . volume 18729 14 >> 358 958484.5 . height 18729 14 >> 358 22064301.5 . volume 18729 14 >> 359 292205.0 . height 18729 14 >> 359 6034649.5 . volume 18729 14 >> 360 239301.5 . height 18729 14 >> 360 4891836.5 . volume 18729 14 >> 361 888799.5 . height 18729 14 >> 361 20365574.0 . volume 18729 14 >> 362 701987.5 . height 18729 14 >> 362 15866077.0 . volume 18729 14 >> 363 452710.5 . height 18729 14 >> 363 9885968.5 . volume 18729 14 >> 364 786017.0 . height 18729 14 >> 364 17770340.5 . volume 18729 14 >> 365 596800.0 . height 18729 14 >> 365 12751028.0 . volume 18729 14 >> 366 1474382.0 . height 18729 14 >> 366 33510331.0 . volume 18729 14 >> 367 683500.5 . height 18729 14 >> 367 15795110.0 . volume 18729 14 >> 368 392611.0 . height 18729 14 >> 368 8701516.5 . volume 18729 14 >> 369 384586.5 . height 18729 14 >> 369 8284034.0 . volume 18729 14 >> 370 9483615.0 . height 18729 14 >> 370 216080570.0 . volume 18729 14 >> 371 6133635.5 . height 18729 14 >> 371 139609513.5 . volume 18729 14 >> 372 538611.5 . height 18729 14 >> 372 11936539.0 . volume 18729 14 >> 373 624725.5 . height 18729 14 >> 373 13797815.0 . volume 18729 14 >> 374 349522.5 . height 18729 14 >> 374 7815116.5 . volume 18729 14 >> 375 749159.5 . height 18729 14 >> 375 16586306.0 . volume 18729 14 >> 376 756798.5 . height 18729 14 >> 376 16710061.0 . volume 18729 14 >> 377 849827.5 . height 18729 14 >> 377 19178323.0 . volume 18729 14 >> 378 4124190.5 . height 18729 14 >> 378 93283050.0 . volume 18729 14 >> 379 352833.5 . height 18729 14 >> 379 7166203.5 . volume 18729 14 >> 380 431911.5 . height 18729 14 >> 380 9352351.0 . volume 18729 14 >> 381 278123.0 . height 18729 14 >> 381 6112523.0 . volume 18729 14 >> 382 128324.5 . height 18729 14 >> 382 4329511.5 . volume 18729 14 >> 383 964677.5 . height 18729 14 >> 383 21751815.0 . volume 18729 14 >> 384 985924.5 . height 18729 14 >> 384 22106272.0 . volume 18729 14 >> 385 1744856.0 . height 18729 14 >> 385 39339593.0 . volume 18729 14 >> 386 23888780.0 . height 18729 14 >> 386 539809210.0 . volume 18729 14 >> 387 23031056.0 . height 18729 14 >> 387 527958778.0 . volume 18729 14 >> 388 11541072.0 . height 18729 14 >> 388 252802263.0 . volume 18729 14 >> 389 11941457.0 . height 18729 14 >> 389 264739823.5 . volume 18729 14 >> 390 347666.0 . height 18729 14 >> 390 8225407.5 . volume 18729 14 >> 391 750751.5 . height 18729 14 >> 391 16891412.5 . volume 18729 14 >> 392 458374.0 . height 18729 14 >> 392 10166322.0 . volume 18729 14 >> 393 270874.5 . height 18729 14 >> 393 5771927.5 . volume 18729 14 >> 394 394199.5 . height 18729 14 >> 394 8671862.5 . volume 18729 14 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '15N HSQC-NOESY (H[{N|C}]_H.through-space)' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 H 1H 3 N 15N stop_ _Sample_label $13C_15N _Sample_conditions_label $Standard _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15 >> _Spectral_peak_list.Entry_ID 18729 >> _Spectral_peak_list.ID 15 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $13C_15N >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Standard >> _Spectral_peak_list.Experiment_ID 15 >> _Spectral_peak_list.Experiment_name '15N HSQC-NOESY (H[{N|C}]_H.through-space)' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . 2968.75000000 . . . 18729 15 >> 2 H 1 1H . 7246.37681159 . . . 18729 15 >> 3 N 15 15N . 2128.62600000 . . . 18729 15 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18729 15 >> 2 1.0 . 18729 15 >> 3 1.0 . 18729 15 >> 4 1.0 . 18729 15 >> 5 1.0 . 18729 15 >> 6 1.0 . 18729 15 >> 7 1.0 . 18729 15 >> 8 1.0 . 18729 15 >> 9 1.0 . 18729 15 >> 10 1.0 . 18729 15 >> 11 1.0 . 18729 15 >> 12 1.0 . 18729 15 >> 13 1.0 . 18729 15 >> 14 1.0 . 18729 15 >> 15 1.0 . 18729 15 >> 16 1.0 . 18729 15 >> 17 1.0 . 18729 15 >> 18 1.0 . 18729 15 >> 19 1.0 . 18729 15 >> 20 1.0 . 18729 15 >> 21 1.0 . 18729 15 >> 22 1.0 . 18729 15 >> 23 1.0 . 18729 15 >> 24 1.0 . 18729 15 >> 25 1.0 . 18729 15 >> 26 1.0 . 18729 15 >> 27 1.0 . 18729 15 >> 28 1.0 . 18729 15 >> 29 1.0 . 18729 15 >> 30 1.0 . 18729 15 >> 31 1.0 . 18729 15 >> 32 1.0 . 18729 15 >> 33 1.0 . 18729 15 >> 34 1.0 . 18729 15 >> 35 1.0 . 18729 15 >> 36 1.0 . 18729 15 >> 37 1.0 . 18729 15 >> 38 1.0 . 18729 15 >> 39 1.0 . 18729 15 >> 40 1.0 . 18729 15 >> 41 1.0 . 18729 15 >> 42 1.0 . 18729 15 >> 43 1.0 . 18729 15 >> 44 1.0 . 18729 15 >> 45 1.0 . 18729 15 >> 46 1.0 . 18729 15 >> 47 1.0 . 18729 15 >> 48 1.0 . 18729 15 >> 49 1.0 . 18729 15 >> 50 1.0 . 18729 15 >> 51 1.0 . 18729 15 >> 52 1.0 . 18729 15 >> 53 1.0 . 18729 15 >> 54 1.0 . 18729 15 >> 55 1.0 . 18729 15 >> 56 1.0 . 18729 15 >> 57 1.0 . 18729 15 >> 58 1.0 . 18729 15 >> 59 1.0 . 18729 15 >> 60 1.0 . 18729 15 >> 61 1.0 . 18729 15 >> 62 1.0 . 18729 15 >> 63 1.0 . 18729 15 >> 64 1.0 . 18729 15 >> 65 1.0 . 18729 15 >> 66 1.0 . 18729 15 >> 67 1.0 . 18729 15 >> 68 1.0 . 18729 15 >> 69 1.0 . 18729 15 >> 70 1.0 . 18729 15 >> 71 1.0 . 18729 15 >> 72 1.0 . 18729 15 >> 73 1.0 . 18729 15 >> 74 1.0 . 18729 15 >> 75 1.0 . 18729 15 >> 76 1.0 . 18729 15 >> 77 1.0 . 18729 15 >> 78 1.0 . 18729 15 >> 79 1.0 . 18729 15 >> 80 1.0 . 18729 15 >> 81 1.0 . 18729 15 >> 82 1.0 . 18729 15 >> 83 1.0 . 18729 15 >> 84 1.0 . 18729 15 >> 85 1.0 . 18729 15 >> 86 1.0 . 18729 15 >> 87 1.0 . 18729 15 >> 88 1.0 . 18729 15 >> 89 1.0 . 18729 15 >> 90 1.0 . 18729 15 >> 91 1.0 . 18729 15 >> 92 1.0 . 18729 15 >> 93 1.0 . 18729 15 >> 94 1.0 . 18729 15 >> 95 1.0 . 18729 15 >> 96 1.0 . 18729 15 >> 97 1.0 . 18729 15 >> 98 1.0 . 18729 15 >> 99 1.0 . 18729 15 >> 100 1.0 . 18729 15 >> 101 1.0 . 18729 15 >> 102 1.0 . 18729 15 >> 103 1.0 . 18729 15 >> 104 1.0 . 18729 15 >> 105 1.0 . 18729 15 >> 106 1.0 . 18729 15 >> 107 1.0 . 18729 15 >> 108 1.0 . 18729 15 >> 109 1.0 . 18729 15 >> 110 1.0 . 18729 15 >> 111 1.0 . 18729 15 >> 112 1.0 . 18729 15 >> 113 1.0 . 18729 15 >> 114 1.0 . 18729 15 >> 115 1.0 . 18729 15 >> 116 1.0 . 18729 15 >> 117 1.0 . 18729 15 >> 118 1.0 . 18729 15 >> 119 1.0 . 18729 15 >> 120 1.0 . 18729 15 >> 121 1.0 . 18729 15 >> 122 1.0 . 18729 15 >> 123 1.0 . 18729 15 >> 124 1.0 . 18729 15 >> 125 1.0 . 18729 15 >> 126 1.0 . 18729 15 >> 127 1.0 . 18729 15 >> 128 1.0 . 18729 15 >> 129 1.0 . 18729 15 >> 130 1.0 . 18729 15 >> 131 1.0 . 18729 15 >> 132 1.0 . 18729 15 >> 133 1.0 . 18729 15 >> 134 1.0 . 18729 15 >> 135 1.0 . 18729 15 >> 136 1.0 . 18729 15 >> 137 1.0 . 18729 15 >> 138 1.0 . 18729 15 >> 139 1.0 . 18729 15 >> 140 1.0 . 18729 15 >> 141 1.0 . 18729 15 >> 142 1.0 . 18729 15 >> 143 1.0 . 18729 15 >> 144 1.0 . 18729 15 >> 145 1.0 . 18729 15 >> 146 1.0 . 18729 15 >> 147 1.0 . 18729 15 >> 148 1.0 . 18729 15 >> 149 1.0 . 18729 15 >> 150 1.0 . 18729 15 >> 151 1.0 . 18729 15 >> 152 1.0 . 18729 15 >> 153 1.0 . 18729 15 >> 154 1.0 . 18729 15 >> 155 1.0 . 18729 15 >> 156 1.0 . 18729 15 >> 157 1.0 . 18729 15 >> 158 1.0 . 18729 15 >> 159 1.0 . 18729 15 >> 160 1.0 . 18729 15 >> 161 1.0 . 18729 15 >> 162 1.0 . 18729 15 >> 163 1.0 . 18729 15 >> 164 1.0 . 18729 15 >> 165 1.0 . 18729 15 >> 166 1.0 . 18729 15 >> 167 1.0 . 18729 15 >> 168 1.0 . 18729 15 >> 169 1.0 . 18729 15 >> 170 1.0 . 18729 15 >> 171 1.0 . 18729 15 >> 172 1.0 . 18729 15 >> 173 1.0 . 18729 15 >> 174 1.0 . 18729 15 >> 175 1.0 . 18729 15 >> 176 1.0 . 18729 15 >> 177 1.0 . 18729 15 >> 178 1.0 . 18729 15 >> 179 1.0 . 18729 15 >> 180 1.0 . 18729 15 >> 181 1.0 . 18729 15 >> 182 1.0 . 18729 15 >> 183 1.0 . 18729 15 >> 184 1.0 . 18729 15 >> 185 1.0 . 18729 15 >> 186 1.0 . 18729 15 >> 187 1.0 . 18729 15 >> 188 1.0 . 18729 15 >> 189 1.0 . 18729 15 >> 190 1.0 . 18729 15 >> 191 1.0 . 18729 15 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 2381211.5 . height 18729 15 >> 1 51274368.5 . volume 18729 15 >> 2 323445.5 . height 18729 15 >> 2 7286723.5 . volume 18729 15 >> 3 691308.5 . height 18729 15 >> 3 15049874.0 . volume 18729 15 >> 4 745687.5 . height 18729 15 >> 4 15132570.0 . volume 18729 15 >> 5 4561207.0 . height 18729 15 >> 5 99846356.0 . volume 18729 15 >> 6 1072670.5 . height 18729 15 >> 6 22747416.0 . volume 18729 15 >> 7 2190912.5 . height 18729 15 >> 7 47594512.0 . volume 18729 15 >> 8 899731.0 . height 18729 15 >> 8 18885921.0 . volume 18729 15 >> 9 3378610.5 . height 18729 15 >> 9 74105734.5 . volume 18729 15 >> 10 3220033.0 . height 18729 15 >> 10 68726185.5 . volume 18729 15 >> 11 440735.5 . height 18729 15 >> 11 9400626.5 . volume 18729 15 >> 12 474857.5 . height 18729 15 >> 12 9846260.5 . volume 18729 15 >> 13 1718069.5 . height 18729 15 >> 13 37522852.5 . volume 18729 15 >> 14 806411.5 . height 18729 15 >> 14 18092185.0 . volume 18729 15 >> 15 917236.5 . height 18729 15 >> 15 20622118.5 . volume 18729 15 >> 16 1549946.0 . height 18729 15 >> 16 33755087.0 . volume 18729 15 >> 17 2140930.0 . height 18729 15 >> 17 46894406.0 . volume 18729 15 >> 18 1324223.0 . height 18729 15 >> 18 29173635.5 . volume 18729 15 >> 19 7491722.5 . height 18729 15 >> 19 161448398.0 . volume 18729 15 >> 20 6095300.0 . height 18729 15 >> 20 131854386.0 . volume 18729 15 >> 21 937353.5 . height 18729 15 >> 21 20771295.0 . volume 18729 15 >> 22 2274369.5 . height 18729 15 >> 22 50901139.0 . volume 18729 15 >> 23 1472361.5 . height 18729 15 >> 23 32511701.0 . volume 18729 15 >> 24 1079198.5 . height 18729 15 >> 24 24593712.0 . volume 18729 15 >> 25 1227661.5 . height 18729 15 >> 25 27051420.5 . volume 18729 15 >> 26 1433595.5 . height 18729 15 >> 26 31889787.5 . volume 18729 15 >> 27 613747.5 . height 18729 15 >> 27 13292122.0 . volume 18729 15 >> 28 455219.5 . height 18729 15 >> 28 9893768.0 . volume 18729 15 >> 29 13503312.0 . height 18729 15 >> 29 291273949.0 . 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73 20682000.5 . volume 18729 15 >> 74 770794.5 . height 18729 15 >> 74 16721210.5 . volume 18729 15 >> 75 299202.0 . height 18729 15 >> 75 6167296.5 . volume 18729 15 >> 76 700665.0 . height 18729 15 >> 76 15262442.0 . volume 18729 15 >> 77 544986.0 . height 18729 15 >> 77 11953037.0 . volume 18729 15 >> 78 1088705.5 . height 18729 15 >> 78 24727613.5 . volume 18729 15 >> 79 167649.0 . height 18729 15 >> 79 3652811.5 . volume 18729 15 >> 80 236784.5 . height 18729 15 >> 80 5432904.0 . volume 18729 15 >> 81 404020.5 . height 18729 15 >> 81 9094293.5 . volume 18729 15 >> 82 838570.5 . height 18729 15 >> 82 18991853.0 . volume 18729 15 >> 83 1032701.0 . height 18729 15 >> 83 23260647.5 . volume 18729 15 >> 84 433616.0 . height 18729 15 >> 84 9481689.5 . volume 18729 15 >> 85 408493.0 . height 18729 15 >> 85 9162928.0 . volume 18729 15 >> 86 337913.0 . height 18729 15 >> 86 7188568.5 . volume 18729 15 >> 87 391386.5 . height 18729 15 >> 87 8786048.5 . volume 18729 15 >> 88 1230860.0 . height 18729 15 >> 88 27192189.5 . volume 18729 15 >> 89 1330898.0 . height 18729 15 >> 89 29708065.0 . volume 18729 15 >> 90 1302819.5 . height 18729 15 >> 90 27733539.0 . volume 18729 15 >> 91 1330289.0 . height 18729 15 >> 91 29506730.0 . volume 18729 15 >> 92 982715.0 . height 18729 15 >> 92 21075287.5 . volume 18729 15 >> 93 2512206.0 . height 18729 15 >> 93 55075903.5 . volume 18729 15 >> 94 217735.0 . height 18729 15 >> 94 4672538.0 . volume 18729 15 >> 95 1586802.5 . height 18729 15 >> 95 35083942.0 . volume 18729 15 >> 96 1446996.5 . height 18729 15 >> 96 32109631.0 . volume 18729 15 >> 97 2044953.0 . height 18729 15 >> 97 44953894.5 . volume 18729 15 >> 98 1261504.0 . height 18729 15 >> 98 28113583.5 . volume 18729 15 >> 99 1681970.5 . height 18729 15 >> 99 36021193.5 . volume 18729 15 >> 100 863044.0 . height 18729 15 >> 100 16773651.5 . volume 18729 15 >> 101 723720.0 . height 18729 15 >> 101 15754393.5 . volume 18729 15 >> 102 2050910.5 . height 18729 15 >> 102 45158201.0 . volume 18729 15 >> 103 247680.0 . height 18729 15 >> 103 5603669.5 . volume 18729 15 >> 104 872227.0 . height 18729 15 >> 104 18794115.5 . volume 18729 15 >> 105 832425.0 . height 18729 15 >> 105 18113441.0 . volume 18729 15 >> 106 1413174.5 . height 18729 15 >> 106 30503132.0 . volume 18729 15 >> 107 2295619.5 . height 18729 15 >> 107 49015379.5 . volume 18729 15 >> 108 852207.0 . height 18729 15 >> 108 17798580.5 . volume 18729 15 >> 109 1942083.5 . height 18729 15 >> 109 41539326.0 . volume 18729 15 >> 110 321582.5 . height 18729 15 >> 110 6032546.0 . volume 18729 15 >> 111 1489191.5 . height 18729 15 >> 111 32105265.0 . volume 18729 15 >> 112 3077110.5 . height 18729 15 >> 112 67919338.5 . volume 18729 15 >> 113 596034.0 . height 18729 15 >> 113 12807294.5 . volume 18729 15 >> 114 2161770.5 . height 18729 15 >> 114 46308611.0 . volume 18729 15 >> 115 546756.5 . height 18729 15 >> 115 12210726.5 . volume 18729 15 >> 116 434008.0 . height 18729 15 >> 116 9804193.5 . volume 18729 15 >> 117 2187303.5 . height 18729 15 >> 117 47941083.0 . volume 18729 15 >> 118 1015060.0 . height 18729 15 >> 118 21911115.5 . volume 18729 15 >> 119 1563007.5 . height 18729 15 >> 119 33568310.5 . volume 18729 15 >> 120 924294.5 . height 18729 15 >> 120 19647025.0 . volume 18729 15 >> 121 1299564.0 . height 18729 15 >> 121 27465002.5 . volume 18729 15 >> 122 1032545.5 . height 18729 15 >> 122 22867371.0 . volume 18729 15 >> 123 2484328.5 . height 18729 15 >> 123 54875876.0 . volume 18729 15 >> 124 468418.5 . height 18729 15 >> 124 10621647.0 . volume 18729 15 >> 125 2392096.0 . height 18729 15 >> 125 53115736.5 . volume 18729 15 >> 126 1649344.5 . height 18729 15 >> 126 37206055.0 . volume 18729 15 >> 127 406765.0 . height 18729 15 >> 127 8310062.0 . volume 18729 15 >> 128 1596428.0 . height 18729 15 >> 128 35143043.0 . volume 18729 15 >> 129 560939.5 . height 18729 15 >> 129 13171625.5 . volume 18729 15 >> 130 4672524.5 . height 18729 15 >> 130 101288172.5 . volume 18729 15 >> 131 1250181.0 . height 18729 15 >> 131 26940075.0 . volume 18729 15 >> 132 1173319.0 . height 18729 15 >> 132 25239737.5 . volume 18729 15 >> 133 1543768.0 . height 18729 15 >> 133 34310204.0 . volume 18729 15 >> 134 1620321.0 . height 18729 15 >> 134 36881695.0 . volume 18729 15 >> 135 769422.0 . height 18729 15 >> 135 16865892.5 . volume 18729 15 >> 136 480896.5 . height 18729 15 >> 136 10323785.0 . volume 18729 15 >> 137 2634720.0 . height 18729 15 >> 137 58063445.5 . volume 18729 15 >> 138 258547.0 . height 18729 15 >> 138 5000638.0 . volume 18729 15 >> 139 691149.5 . height 18729 15 >> 139 14816839.0 . volume 18729 15 >> 140 464885.0 . height 18729 15 >> 140 10088501.5 . volume 18729 15 >> 141 879930.0 . height 18729 15 >> 141 19397935.5 . volume 18729 15 >> 142 1039256.0 . height 18729 15 >> 142 18875377.0 . volume 18729 15 >> 143 804070.5 . height 18729 15 >> 143 17474289.5 . volume 18729 15 >> 144 790882.5 . height 18729 15 >> 144 17916791.0 . volume 18729 15 >> 145 650868.5 . height 18729 15 >> 145 14881537.5 . volume 18729 15 >> 146 2039659.5 . height 18729 15 >> 146 45762061.5 . volume 18729 15 >> 147 4886644.0 . height 18729 15 >> 147 105131686.0 . volume 18729 15 >> 148 1181611.5 . height 18729 15 >> 148 24918188.5 . volume 18729 15 >> 149 16398530.0 . height 18729 15 >> 149 348452902.0 . volume 18729 15 >> 150 16626400.0 . height 18729 15 >> 150 353573640.0 . volume 18729 15 >> 151 505956.5 . height 18729 15 >> 151 11357789.0 . volume 18729 15 >> 152 710859.0 . height 18729 15 >> 152 15075779.5 . volume 18729 15 >> 153 2235553.0 . height 18729 15 >> 153 48659164.0 . volume 18729 15 >> 154 1359819.5 . height 18729 15 >> 154 29800493.0 . volume 18729 15 >> 155 623801.0 . height 18729 15 >> 155 13199717.5 . volume 18729 15 >> 156 1566613.0 . height 18729 15 >> 156 33813955.0 . volume 18729 15 >> 157 403533.0 . height 18729 15 >> 157 8925758.5 . volume 18729 15 >> 158 414047.5 . height 18729 15 >> 158 9157554.5 . volume 18729 15 >> 159 2033655.5 . height 18729 15 >> 159 45592101.0 . volume 18729 15 >> 160 496966.0 . height 18729 15 >> 160 10790164.0 . volume 18729 15 >> 161 830161.5 . height 18729 15 >> 161 17611497.5 . volume 18729 15 >> 162 713603.5 . height 18729 15 >> 162 14836579.5 . volume 18729 15 >> 163 1021307.5 . height 18729 15 >> 163 21930630.5 . volume 18729 15 >> 164 815172.0 . height 18729 15 >> 164 17758458.5 . volume 18729 15 >> 165 4310054.0 . height 18729 15 >> 165 94219217.5 . volume 18729 15 >> 166 729398.5 . height 18729 15 >> 166 15969709.5 . volume 18729 15 >> 167 746573.5 . height 18729 15 >> 167 16073437.5 . volume 18729 15 >> 168 2882953.0 . height 18729 15 >> 168 62929500.0 . volume 18729 15 >> 169 1289324.0 . height 18729 15 >> 169 28084850.5 . volume 18729 15 >> 170 651535.5 . height 18729 15 >> 170 14601383.0 . volume 18729 15 >> 171 2381851.0 . height 18729 15 >> 171 52995811.5 . volume 18729 15 >> 172 597594.5 . height 18729 15 >> 172 12995920.0 . volume 18729 15 >> 173 564495.5 . height 18729 15 >> 173 12078382.0 . volume 18729 15 >> 174 5521859.5 . height 18729 15 >> 174 119256324.5 . volume 18729 15 >> 175 1121705.5 . height 18729 15 >> 175 24430420.5 . volume 18729 15 >> 176 936748.0 . height 18729 15 >> 176 20951166.5 . volume 18729 15 >> 177 262066.5 . height 18729 15 >> 177 6091798.0 . volume 18729 15 >> 178 471920.5 . height 18729 15 >> 178 10684168.0 . volume 18729 15 >> 179 642315.5 . height 18729 15 >> 179 14759704.0 . volume 18729 15 >> 180 552436.0 . height 18729 15 >> 180 12575693.0 . volume 18729 15 >> 181 233145.5 . height 18729 15 >> 181 5377973.5 . volume 18729 15 >> 182 179848.0 . height 18729 15 >> 182 4022501.0 . volume 18729 15 >> 183 2102343.5 . height 18729 15 >> 183 47134239.0 . volume 18729 15 >> 184 1459014.0 . height 18729 15 >> 184 32886727.5 . volume 18729 15 >> 185 667914.5 . height 18729 15 >> 185 15213104.0 . volume 18729 15 >> 186 371553.5 . height 18729 15 >> 186 7539565.5 . volume 18729 15 >> 187 1249103.0 . height 18729 15 >> 187 27548239.5 . volume 18729 15 >> 188 549650.0 . height 18729 15 >> 188 11204367.5 . volume 18729 15 >> 189 404376.5 . height 18729 15 >> 189 8533148.0 . volume 18729 15 >> 190 273134.5 . height 18729 15 >> 190 5711080.5 . volume 18729 15 >> 191 425070.0 . height 18729 15 >> 191 8840436.5 . volume 18729 15 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '2D 1H-1H NOESY' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 H 1H stop_ _Sample_label $13C_15N _Sample_conditions_label $Standard _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16 >> _Spectral_peak_list.Entry_ID 18729 >> _Spectral_peak_list.ID 16 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $13C_15N >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Standard >> _Spectral_peak_list.Experiment_ID 16 >> _Spectral_peak_list.Experiment_name '2D 1H-1H NOESY' >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . 10000.0 . . . 18729 16 >> 2 H 1 1H . 8000.0 . . . 18729 16 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18729 16 >> 2 1.0 . 18729 16 >> 3 1.0 . 18729 16 >> 4 1.0 . 18729 16 >> 5 1.0 . 18729 16 >> 6 1.0 . 18729 16 >> 7 1.0 . 18729 16 >> 8 1.0 . 18729 16 >> 9 1.0 . 18729 16 >> 10 1.0 . 18729 16 >> 11 1.0 . 18729 16 >> 12 1.0 . 18729 16 >> 13 1.0 . 18729 16 >> 14 1.0 . 18729 16 >> 15 1.0 . 18729 16 >> 16 1.0 . 18729 16 >> 17 1.0 . 18729 16 >> 18 1.0 . 18729 16 >> 19 1.0 . 18729 16 >> 20 1.0 . 18729 16 >> 21 1.0 . 18729 16 >> 22 1.0 . 18729 16 >> 23 1.0 . 18729 16 >> 24 1.0 . 18729 16 >> 25 1.0 . 18729 16 >> 26 1.0 . 18729 16 >> 27 1.0 . 18729 16 >> 28 1.0 . 18729 16 >> 29 1.0 . 18729 16 >> 30 1.0 . 18729 16 >> 31 1.0 . 18729 16 >> 32 1.0 . 18729 16 >> 33 1.0 . 18729 16 >> 34 1.0 . 18729 16 >> 35 1.0 . 18729 16 >> 36 1.0 . 18729 16 >> 37 1.0 . 18729 16 >> 38 1.0 . 18729 16 >> 39 1.0 . 18729 16 >> 40 1.0 . 18729 16 >> 41 1.0 . 18729 16 >> 42 1.0 . 18729 16 >> 43 1.0 . 18729 16 >> 44 1.0 . 18729 16 >> 45 1.0 . 18729 16 >> 46 1.0 . 18729 16 >> 47 1.0 . 18729 16 >> 48 1.0 . 18729 16 >> 49 1.0 . 18729 16 >> 50 1.0 . 18729 16 >> 51 1.0 . 18729 16 >> 52 1.0 . 18729 16 >> 53 1.0 . 18729 16 >> 54 1.0 . 18729 16 >> 55 1.0 . 18729 16 >> 56 1.0 . 18729 16 >> 57 1.0 . 18729 16 >> 58 1.0 . 18729 16 >> 59 1.0 . 18729 16 >> 60 1.0 . 18729 16 >> 61 1.0 . 18729 16 >> 62 1.0 . 18729 16 >> 63 1.0 . 18729 16 >> 64 1.0 . 18729 16 >> 65 1.0 . 18729 16 >> 66 1.0 . 18729 16 >> 67 1.0 . 18729 16 >> 68 1.0 . 18729 16 >> 69 1.0 . 18729 16 >> 70 1.0 . 18729 16 >> 71 1.0 . 18729 16 >> 72 1.0 . 18729 16 >> 73 1.0 . 18729 16 >> 74 1.0 . 18729 16 >> 75 1.0 . 18729 16 >> 76 1.0 . 18729 16 >> 77 1.0 . 18729 16 >> 78 1.0 . 18729 16 >> 79 1.0 . 18729 16 >> 80 1.0 . 18729 16 >> 81 1.0 . 18729 16 >> 82 1.0 . 18729 16 >> 83 1.0 . 18729 16 >> 84 1.0 . 18729 16 >> 85 1.0 . 18729 16 >> 86 1.0 . 18729 16 >> 87 1.0 . 18729 16 >> 88 1.0 . 18729 16 >> 89 1.0 . 18729 16 >> 90 1.0 . 18729 16 >> 91 1.0 . 18729 16 >> 92 1.0 . 18729 16 >> 93 1.0 . 18729 16 >> 94 1.0 . 18729 16 >> 95 1.0 . 18729 16 >> 96 1.0 . 18729 16 >> 97 1.0 . 18729 16 >> 98 1.0 . 18729 16 >> 99 1.0 . 18729 16 >> 100 1.0 . 18729 16 >> 101 1.0 . 18729 16 >> 102 1.0 . 18729 16 >> 103 1.0 . 18729 16 >> 104 1.0 . 18729 16 >> 105 1.0 . 18729 16 >> 106 1.0 . 18729 16 >> 107 1.0 . 18729 16 >> 108 1.0 . 18729 16 >> 109 1.0 . 18729 16 >> 110 1.0 . 18729 16 >> 111 1.0 . 18729 16 >> 112 1.0 . 18729 16 >> 113 1.0 . 18729 16 >> 114 1.0 . 18729 16 >> 115 1.0 . 18729 16 >> 116 1.0 . 18729 16 >> 117 1.0 . 18729 16 >> 118 1.0 . 18729 16 >> 119 1.0 . 18729 16 >> 120 1.0 . 18729 16 >> 121 1.0 . 18729 16 >> 122 1.0 . 18729 16 >> 123 1.0 . 18729 16 >> 124 1.0 . 18729 16 >> 125 1.0 . 18729 16 >> 126 1.0 . 18729 16 >> 127 1.0 . 18729 16 >> 128 1.0 . 18729 16 >> 129 1.0 . 18729 16 >> 130 1.0 . 18729 16 >> 131 1.0 . 18729 16 >> 132 1.0 . 18729 16 >> 133 1.0 . 18729 16 >> 134 1.0 . 18729 16 >> 135 1.0 . 18729 16 >> 136 1.0 . 18729 16 >> 137 1.0 . 18729 16 >> 138 1.0 . 18729 16 >> 139 1.0 . 18729 16 >> 140 1.0 . 18729 16 >> 141 1.0 . 18729 16 >> 142 1.0 . 18729 16 >> 143 1.0 . 18729 16 >> 144 1.0 . 18729 16 >> 145 1.0 . 18729 16 >> 146 1.0 . 18729 16 >> 147 1.0 . 18729 16 >> 148 1.0 . 18729 16 >> 149 1.0 . 18729 16 >> 150 1.0 . 18729 16 >> 151 1.0 . 18729 16 >> 152 1.0 . 18729 16 >> 153 1.0 . 18729 16 >> 154 1.0 . 18729 16 >> 155 1.0 . 18729 16 >> 156 1.0 . 18729 16 >> 157 1.0 . 18729 16 >> 158 1.0 . 18729 16 >> 159 1.0 . 18729 16 >> 160 1.0 . 18729 16 >> 161 1.0 . 18729 16 >> 162 1.0 . 18729 16 >> 163 1.0 . 18729 16 >> 164 1.0 . 18729 16 >> 165 1.0 . 18729 16 >> 166 1.0 . 18729 16 >> 167 1.0 . 18729 16 >> 168 1.0 . 18729 16 >> 169 1.0 . 18729 16 >> 170 1.0 . 18729 16 >> 171 1.0 . 18729 16 >> 172 1.0 . 18729 16 >> 173 1.0 . 18729 16 >> 174 1.0 . 18729 16 >> 175 1.0 . 18729 16 >> 176 1.0 . 18729 16 >> 177 1.0 . 18729 16 >> 178 1.0 . 18729 16 >> 179 1.0 . 18729 16 >> 180 1.0 . 18729 16 >> 181 1.0 . 18729 16 >> 182 1.0 . 18729 16 >> 183 1.0 . 18729 16 >> 184 1.0 . 18729 16 >> 185 1.0 . 18729 16 >> 186 1.0 . 18729 16 >> 187 1.0 . 18729 16 >> 188 1.0 . 18729 16 >> 189 1.0 . 18729 16 >> 190 1.0 . 18729 16 >> 191 1.0 . 18729 16 >> 192 1.0 . 18729 16 >> 193 1.0 . 18729 16 >> 194 1.0 . 18729 16 >> 195 1.0 . 18729 16 >> 196 1.0 . 18729 16 >> 197 1.0 . 18729 16 >> 198 1.0 . 18729 16 >> 199 1.0 . 18729 16 >> 200 1.0 . 18729 16 >> 201 1.0 . 18729 16 >> 202 1.0 . 18729 16 >> 203 1.0 . 18729 16 >> 204 1.0 . 18729 16 >> 205 1.0 . 18729 16 >> 206 1.0 . 18729 16 >> 207 1.0 . 18729 16 >> 208 1.0 . 18729 16 >> 209 1.0 . 18729 16 >> 210 1.0 . 18729 16 >> 211 1.0 . 18729 16 >> 212 1.0 . 18729 16 >> 213 1.0 . 18729 16 >> 214 1.0 . 18729 16 >> 215 1.0 . 18729 16 >> 216 1.0 . 18729 16 >> 217 1.0 . 18729 16 >> 218 1.0 . 18729 16 >> 219 1.0 . 18729 16 >> 220 1.0 . 18729 16 >> 221 1.0 . 18729 16 >> 222 1.0 . 18729 16 >> 223 1.0 . 18729 16 >> 224 1.0 . 18729 16 >> 225 1.0 . 18729 16 >> 226 1.0 . 18729 16 >> 227 1.0 . 18729 16 >> 228 1.0 . 18729 16 >> 229 1.0 . 18729 16 >> 230 1.0 . 18729 16 >> 231 1.0 . 18729 16 >> 232 1.0 . 18729 16 >> 233 1.0 . 18729 16 >> 234 1.0 . 18729 16 >> 235 1.0 . 18729 16 >> 236 1.0 . 18729 16 >> 237 1.0 . 18729 16 >> 238 1.0 . 18729 16 >> 239 1.0 . 18729 16 >> 240 1.0 . 18729 16 >> 241 1.0 . 18729 16 >> 242 1.0 . 18729 16 >> 243 1.0 . 18729 16 >> 244 1.0 . 18729 16 >> 245 1.0 . 18729 16 >> 246 1.0 . 18729 16 >> 247 1.0 . 18729 16 >> 248 1.0 . 18729 16 >> 249 1.0 . 18729 16 >> 250 1.0 . 18729 16 >> 251 1.0 . 18729 16 >> 252 1.0 . 18729 16 >> 253 1.0 . 18729 16 >> 254 1.0 . 18729 16 >> 255 1.0 . 18729 16 >> 256 1.0 . 18729 16 >> 257 1.0 . 18729 16 >> 258 1.0 . 18729 16 >> 259 1.0 . 18729 16 >> 260 1.0 . 18729 16 >> 261 1.0 . 18729 16 >> 262 1.0 . 18729 16 >> 263 1.0 . 18729 16 >> 264 1.0 . 18729 16 >> 265 1.0 . 18729 16 >> 266 1.0 . 18729 16 >> 267 1.0 . 18729 16 >> 268 1.0 . 18729 16 >> 269 1.0 . 18729 16 >> 270 1.0 . 18729 16 >> 271 1.0 . 18729 16 >> 272 1.0 . 18729 16 >> 273 1.0 . 18729 16 >> 274 1.0 . 18729 16 >> 275 1.0 . 18729 16 >> 276 1.0 . 18729 16 >> 277 1.0 . 18729 16 >> 278 1.0 . 18729 16 >> 279 1.0 . 18729 16 >> 280 1.0 . 18729 16 >> 281 1.0 . 18729 16 >> 282 1.0 . 18729 16 >> 283 1.0 . 18729 16 >> 284 1.0 . 18729 16 >> 285 1.0 . 18729 16 >> 286 1.0 . 18729 16 >> 287 1.0 . 18729 16 >> 288 1.0 . 18729 16 >> 289 1.0 . 18729 16 >> 290 1.0 . 18729 16 >> 291 1.0 . 18729 16 >> 292 1.0 . 18729 16 >> 293 1.0 . 18729 16 >> 294 1.0 . 18729 16 >> 295 1.0 . 18729 16 >> 296 1.0 . 18729 16 >> 297 1.0 . 18729 16 >> 298 1.0 . 18729 16 >> 299 1.0 . 18729 16 >> 300 1.0 . 18729 16 >> 301 1.0 . 18729 16 >> 302 1.0 . 18729 16 >> 303 1.0 . 18729 16 >> 304 1.0 . 18729 16 >> 305 1.0 . 18729 16 >> 306 1.0 . 18729 16 >> 307 1.0 . 18729 16 >> 308 1.0 . 18729 16 >> 309 1.0 . 18729 16 >> 310 1.0 . 18729 16 >> 311 1.0 . 18729 16 >> 312 1.0 . 18729 16 >> 313 1.0 . 18729 16 >> 314 1.0 . 18729 16 >> 315 1.0 . 18729 16 >> 316 1.0 . 18729 16 >> 317 1.0 . 18729 16 >> 318 1.0 . 18729 16 >> 319 1.0 . 18729 16 >> 320 1.0 . 18729 16 >> 321 1.0 . 18729 16 >> 322 1.0 . 18729 16 >> 323 1.0 . 18729 16 >> 324 1.0 . 18729 16 >> 325 1.0 . 18729 16 >> 326 1.0 . 18729 16 >> 327 1.0 . 18729 16 >> 328 1.0 . 18729 16 >> 329 1.0 . 18729 16 >> 330 1.0 . 18729 16 >> 331 1.0 . 18729 16 >> 332 1.0 . 18729 16 >> 333 1.0 . 18729 16 >> 334 1.0 . 18729 16 >> 335 1.0 . 18729 16 >> 336 1.0 . 18729 16 >> 337 1.0 . 18729 16 >> 338 1.0 . 18729 16 >> 339 1.0 . 18729 16 >> 340 1.0 . 18729 16 >> 341 1.0 . 18729 16 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 89848.84375 . height 18729 16 >> 1 731981.93750 . volume 18729 16 >> 2 76084.81250 . height 18729 16 >> 2 586750.46875 . volume 18729 16 >> 3 28462.62500 . height 18729 16 >> 3 222226.03125 . volume 18729 16 >> 4 43925.21875 . height 18729 16 >> 4 349491.87500 . volume 18729 16 >> 5 47924.03125 . height 18729 16 >> 5 383192.87500 . volume 18729 16 >> 6 38747.03125 . height 18729 16 >> 6 313395.93750 . volume 18729 16 >> 7 23705.62500 . height 18729 16 >> 7 189245.65625 . volume 18729 16 >> 8 45836.84375 . height 18729 16 >> 8 372316.84375 . volume 18729 16 >> 9 47052.78125 . height 18729 16 >> 9 380152.84375 . volume 18729 16 >> 10 47434.50000 . height 18729 16 >> 10 385353.00000 . volume 18729 16 >> 11 30832.34375 . height 18729 16 >> 11 250304.96875 . volume 18729 16 >> 12 45832.96875 . height 18729 16 >> 12 368075.00000 . volume 18729 16 >> 13 51145.09375 . height 18729 16 >> 13 412641.28125 . volume 18729 16 >> 14 34854.59375 . height 18729 16 >> 14 271743.62500 . volume 18729 16 >> 15 81359.37500 . height 18729 16 >> 15 636462.03125 . volume 18729 16 >> 16 22743.93750 . height 18729 16 >> 16 182887.59375 . volume 18729 16 >> 17 22058.40625 . height 18729 16 >> 17 178437.34375 . volume 18729 16 >> 18 31642.12500 . height 18729 16 >> 18 244315.18750 . volume 18729 16 >> 19 29976.09375 . height 18729 16 >> 19 242471.59375 . volume 18729 16 >> 20 43946.00000 . height 18729 16 >> 20 350185.18750 . volume 18729 16 >> 21 456316.56250 . height 18729 16 >> 21 3605117.15625 . volume 18729 16 >> 22 23145.81250 . height 18729 16 >> 22 179331.40625 . volume 18729 16 >> 23 20403.28125 . height 18729 16 >> 23 160707.46875 . volume 18729 16 >> 24 20435.09375 . height 18729 16 >> 24 167008.18750 . volume 18729 16 >> 25 403020.90625 . height 18729 16 >> 25 3231574.53125 . volume 18729 16 >> 26 79191.59375 . height 18729 16 >> 26 644664.56250 . volume 18729 16 >> 27 49038.46875 . height 18729 16 >> 27 400434.25000 . volume 18729 16 >> 28 46811.28125 . height 18729 16 >> 28 384155.59375 . volume 18729 16 >> 29 34607.62500 . height 18729 16 >> 29 275681.53125 . volume 18729 16 >> 30 31413.06250 . height 18729 16 >> 30 257006.59375 . volume 18729 16 >> 31 21146.75000 . height 18729 16 >> 31 176986.65625 . volume 18729 16 >> 32 55251.25000 . height 18729 16 >> 32 452316.93750 . volume 18729 16 >> 33 60565.21875 . height 18729 16 >> 33 494399.43750 . volume 18729 16 >> 34 43749.03125 . height 18729 16 >> 34 353443.09375 . volume 18729 16 >> 35 20600.06250 . height 18729 16 >> 35 164753.90625 . volume 18729 16 >> 36 450347.84375 . height 18729 16 >> 36 3564570.43750 . volume 18729 16 >> 37 442820.12500 . height 18729 16 >> 37 3548419.93750 . volume 18729 16 >> 38 28467.25000 . height 18729 16 >> 38 221724.96875 . volume 18729 16 >> 39 27352.75000 . height 18729 16 >> 39 221616.87500 . volume 18729 16 >> 40 160035.28125 . height 18729 16 >> 40 1318446.68750 . volume 18729 16 >> 41 202461.81250 . height 18729 16 >> 41 1644330.15625 . volume 18729 16 >> 42 88955.56250 . height 18729 16 >> 42 732362.75000 . volume 18729 16 >> 43 19548.43750 . height 18729 16 >> 43 155934.68750 . volume 18729 16 >> 44 138901.06250 . height 18729 16 >> 44 1139388.06250 . volume 18729 16 >> 45 109101.71875 . height 18729 16 >> 45 890691.59375 . volume 18729 16 >> 46 110070.09375 . height 18729 16 >> 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18729 16 >> 325 181787.84375 . volume 18729 16 >> 326 23179.34375 . height 18729 16 >> 326 194657.87500 . volume 18729 16 >> 327 18132.75000 . height 18729 16 >> 327 151778.59375 . volume 18729 16 >> 328 31223.56250 . height 18729 16 >> 328 251164.18750 . volume 18729 16 >> 329 16464.31250 . height 18729 16 >> 329 132507.50000 . volume 18729 16 >> 330 16333.75000 . height 18729 16 >> 330 130695.62500 . volume 18729 16 >> 331 21930.75000 . height 18729 16 >> 331 177486.96875 . volume 18729 16 >> 332 22848.50000 . height 18729 16 >> 332 189766.71875 . volume 18729 16 >> 333 32512.31250 . height 18729 16 >> 333 272532.40625 . volume 18729 16 >> 334 169266.09375 . height 18729 16 >> 334 1438381.18750 . volume 18729 16 >> 335 19452.50000 . height 18729 16 >> 335 160975.12500 . volume 18729 16 >> 336 29595.34375 . height 18729 16 >> 336 244169.75000 . volume 18729 16 >> 337 56302.90625 . height 18729 16 >> 337 469153.25000 . volume 18729 16 >> 338 47088.62500 . height 18729 16 >> 338 381348.28125 . volume 18729 16 >> 339 26777.00000 . height 18729 16 >> 339 228344.59375 . volume 18729 16 >> 340 17956.78125 . height 18729 16 >> 340 138526.46875 . volume 18729 16 >> 341 16429.25000 . height 18729 16 >> 341 130794.03125 . volume 18729 16 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16_17 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '2D 1H-1H TOCSY' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 H 1H stop_ _Sample_label $13C_15N _Sample_conditions_label $Standard _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16_17 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14_15_16_17 >> _Spectral_peak_list.Entry_ID 18729 >> _Spectral_peak_list.ID 17 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $13C_15N >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $Standard >> _Spectral_peak_list.Experiment_ID 17 >> _Spectral_peak_list.Experiment_name '2D 1H-1H TOCSY' >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . 10000.0 . . . 18729 17 >> 2 H 1 1H . 8000.0 . . . 18729 17 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 18729 17 >> 2 1.0 . 18729 17 >> 3 1.0 . 18729 17 >> 4 1.0 . 18729 17 >> 5 1.0 . 18729 17 >> 6 1.0 . 18729 17 >> 7 1.0 . 18729 17 >> 8 1.0 . 18729 17 >> 9 1.0 . 18729 17 >> 10 1.0 . 18729 17 >> 11 1.0 . 18729 17 >> 12 1.0 . 18729 17 >> 13 1.0 . 18729 17 >> 14 1.0 . 18729 17 >> 15 1.0 . 18729 17 >> 16 1.0 . 18729 17 >> 17 1.0 . 18729 17 >> 18 1.0 . 18729 17 >> 19 1.0 . 18729 17 >> 20 1.0 . 18729 17 >> 21 1.0 . 18729 17 >> 22 1.0 . 18729 17 >> 23 1.0 . 18729 17 >> 24 1.0 . 18729 17 >> 25 1.0 . 18729 17 >> 26 1.0 . 18729 17 >> 27 1.0 . 18729 17 >> 28 1.0 . 18729 17 >> 29 1.0 . 18729 17 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 89170.3281250 . height 18729 17 >> 1 712246.3906250 . volume 18729 17 >> 2 72398.0078125 . height 18729 17 >> 2 582913.5859380 . volume 18729 17 >> 3 105645.3828120 . height 18729 17 >> 3 870119.0937500 . volume 18729 17 >> 4 135347.4687500 . height 18729 17 >> 4 1090948.1484400 . volume 18729 17 >> 5 114841.4218750 . height 18729 17 >> 5 944795.5390620 . volume 18729 17 >> 6 94621.4140625 . height 18729 17 >> 6 784515.4687500 . volume 18729 17 >> 7 101705.1562500 . height 18729 17 >> 7 836476.6875000 . volume 18729 17 >> 8 91872.6015625 . height 18729 17 >> 8 753938.8281250 . volume 18729 17 >> 9 28913.0703125 . height 18729 17 >> 9 235164.2109380 . volume 18729 17 >> 10 24622.0625000 . height 18729 17 >> 10 202313.1328120 . volume 18729 17 >> 11 33767.7734375 . height 18729 17 >> 11 261798.1640620 . volume 18729 17 >> 12 42491.1328125 . height 18729 17 >> 12 350896.0703120 . volume 18729 17 >> 13 201755.0625000 . height 18729 17 >> 13 1689314.2031200 . volume 18729 17 >> 14 188087.0625000 . height 18729 17 >> 14 1562584.6250000 . volume 18729 17 >> 15 174981.8906250 . height 18729 17 >> 15 1443463.7968800 . volume 18729 17 >> 16 45300.9531250 . height 18729 17 >> 16 378581.2343750 . volume 18729 17 >> 17 64935.7890625 . height 18729 17 >> 17 536806.8203120 . volume 18729 17 >> 18 68004.5703125 . height 18729 17 >> 18 561628.9921880 . volume 18729 17 >> 19 108967.8203120 . height 18729 17 >> 19 908718.0546880 . volume 18729 17 >> 20 24181.3046875 . height 18729 17 >> 20 204908.1718750 . volume 18729 17 >> 21 38175.0468750 . height 18729 17 >> 21 323556.5312500 . volume 18729 17 >> 22 32210.6093750 . height 18729 17 >> 22 271278.7812500 . volume 18729 17 >> 23 39536.0546875 . height 18729 17 >> 23 330069.1562500 . volume 18729 17 >> 24 50221.9765625 . height 18729 17 >> 24 412147.5156250 . volume 18729 17 >> 25 26330.5156250 . height 18729 17 >> 25 223604.2265620 . volume 18729 17 >> 26 148565.3437500 . height 18729 17 >> 26 1259854.0703100 . volume 18729 17 >> 27 51904.0625000 . height 18729 17 >> 27 444191.2109380 . volume 18729 17 >> 28 55442.6171875 . height 18729 17 >> 28 472344.4765620 . volume 18729 17 >> 29 33944.4296875 . height 18729 17 >> 29 289258.8593750 . volume 18729 17 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 7.338 . 25.7548689842 . . . . . . . . . . 1 18729 17 >> 1 2 7.619 . 21.8226909637 . . . . . . . . . . 1 18729 17 >> 2 1 7.236 . 27.3752212524 . . . . . . . . . . 1 18729 17 >> 2 2 7.621 . 21.4939117432 . . . . . . . . . . 1 18729 17 >> 3 1 7.338 . 29.0474295616 . . . . . . . . . . 1 18729 17 >> 3 2 7.539 . 28.1875133514 . . . . . . . . . . 1 18729 17 >> 4 1 7.233 . 26.3512134552 . . . . . . . . . . 1 18729 17 >> 4 2 7.541 . 22.8912830353 . . . . . . . . . . 1 18729 17 >> 5 1 7.547 . 31.2551856041 . . . . . . . . . . 1 18729 17 >> 5 2 7.329 . 27.3845195770 . . . . . . . . . . 1 18729 17 >> 6 1 7.621 . 29.5209884644 . . . . . . . . . . 1 18729 17 >> 6 2 7.327 . 29.8836231232 . . . . . . . . . . 1 18729 17 >> 7 1 7.621 . 29.1514396667 . . . . . . . . . . 1 18729 17 >> 7 2 7.224 . 29.2057991028 . . . . . . . . . . 1 18729 17 >> 8 1 7.546 . 31.7943096161 . . . . . . . . . . 1 18729 17 >> 8 2 7.216 . 28.0389785767 . . . . . . . . . . 1 18729 17 >> 12 1 0.789 . 26.8548727036 . . . . . . . . . . 1 18729 17 >> 12 2 1.773 . 29.8128128052 . . . . . . . . . . 1 18729 17 >> 13 1 0.790 . 29.6068191528 . . . . . . . . . . 1 18729 17 >> 13 2 1.406 . 35.8538627625 . . . . . . . . . . 1 18729 17 >> 14 1 0.790 . 27.7268886566 . . . . . . . . . . 1 18729 17 >> 14 2 1.108 . 35.5496406555 . . . . . . . . . . 1 18729 17 >> 15 1 0.884 . 26.3220071793 . . . . . . . . . . 1 18729 17 >> 15 2 1.769 . 33.8287353516 . . . . . . . . . . 1 18729 17 >> 16 1 0.886 . 28.3944606781 . . . . . . . . . . 1 18729 17 >> 16 2 1.412 . 34.6131324768 . . . . . . . . . . 1 18729 17 >> 17 1 0.884 . 27.0825624466 . . . . . . . . . . 1 18729 17 >> 17 2 1.109 . 33.3104133606 . . . . . . . . . . 1 18729 17 >> 18 1 1.193 . 26.6218185425 . . . . . . . . . . 1 18729 17 >> 18 2 2.132 . 33.7162017822 . . . . . . . . . . 1 18729 17 >> 19 1 0.969 . 28.7652015686 . . . . . . . . . . 1 18729 17 >> 19 2 2.126 . 37.2624397278 . . . . . . . . . . 1 18729 17 >> 20 1 1.112 . 34.1194868088 . . . . . . . . . . 1 18729 17 >> 20 2 1.770 . 34.3084335327 . . . . . . . . . . 1 18729 17 >> 21 1 1.110 . 39.1626358032 . . . . . . . . . . 1 18729 17 >> 21 2 1.419 . 44.3539619446 . . . . . . . . . . 1 18729 17 >> 22 1 0.974 . 32.1435928345 . . . . . . . . . . 1 18729 17 >> 22 2 3.993 . 32.2990417480 . . . . . . . . . . 1 18729 17 >> 23 1 1.192 . 29.1240215302 . . . . . . . . . . 1 18729 17 >> 23 2 3.982 . 36.3979339600 . . . . . . . . . . 1 18729 17 >> 24 1 0.886 . 26.0508060455 . . . . . . . . . . 1 18729 17 >> 24 2 4.306 . 34.9025726318 . . . . . . . . . . 1 18729 17 >> 25 1 1.780 . 42.2990322113 . . . . . . . . . . 1 18729 17 >> 25 2 1.111 . 41.8233871460 . . . . . . . . . . 1 18729 17 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 . 1 . . 7.338 . 1 1 1 19 TRP HH2 . . . . . . 311 . 18729 17 >> 1 2 . 1 . . 7.619 . 1 1 1 19 TRP HE3 . . . . . . 309 . 18729 17 >> 2 1 . 1 . . 7.236 . 1 1 1 19 TRP HZ3 . . . . . . 312 . 18729 17 >> 2 2 . 1 . . 7.621 . 1 1 1 19 TRP HE3 . . . . . . 309 . 18729 17 >> 3 1 . 1 . . 7.338 . 1 1 1 19 TRP HH2 . . . . . . 311 . 18729 17 >> 3 2 . 1 . . 7.539 . 1 1 1 19 TRP HZ2 . . . . . . 306 . 18729 17 >> 4 1 . 1 . . 7.233 . 1 1 1 19 TRP HZ3 . . . . . . 312 . 18729 17 >> 4 2 . 1 . . 7.541 . 1 1 1 19 TRP HZ2 . . . . . . 306 . 18729 17 >> 5 1 . 1 . . 7.547 . 1 1 1 19 TRP HZ2 . . . . . . 306 . 18729 17 >> 5 2 . 1 . . 7.329 . 1 1 1 19 TRP HH2 . . . . . . 311 . 18729 17 >> 6 1 . 1 . . 7.621 . 1 1 1 19 TRP HE3 . . . . . . 309 . 18729 17 >> 6 2 . 1 . . 7.327 . 1 1 1 19 TRP HH2 . . . . . . 311 . 18729 17 >> 7 1 . 1 . . 7.621 . 1 1 1 19 TRP HE3 . . . . . . 309 . 18729 17 >> 7 2 . 1 . . 7.224 . 1 1 1 19 TRP HZ3 . . . . . . 312 . 18729 17 >> 8 1 . 1 . . 7.546 . 1 1 1 19 TRP HZ2 . . . . . . 306 . 18729 17 >> 8 2 . 1 . . 7.216 . 1 1 1 19 TRP HZ3 . . . . . . 312 . 18729 17 >> 12 1 . 1 . . 0.789 . 1 1 1 25 ILE MD . . . . . . 267 . 18729 17 >> 12 2 . 1 . . 1.773 . 1 1 1 25 ILE HB . . . . . . 178 . 18729 17 >> 13 1 . 1 . . 0.790 . 1 1 1 25 ILE MD . . . . . . 267 . 18729 17 >> 13 2 . 1 . . 1.406 . 1 1 1 25 ILE HG12 . . . . . . 327 . 18729 17 >> 14 1 . 1 . . 0.790 . 1 1 1 25 ILE MD . . . . . . 267 . 18729 17 >> 14 2 . 1 . . 1.108 . 1 1 1 25 ILE HG13 . . . . . . 328 . 18729 17 >> 15 1 . 1 . . 0.884 . 1 1 1 25 ILE MG . . . . . . 268 . 18729 17 >> 15 2 . 1 . . 1.769 . 1 1 1 25 ILE HB . . . . . . 178 . 18729 17 >> 16 1 . 1 . . 0.886 . 1 1 1 25 ILE MG . . . . . . 268 . 18729 17 >> 16 2 . 1 . . 1.412 . 1 1 1 25 ILE HG12 . . . . . . 327 . 18729 17 >> 17 1 . 1 . . 0.884 . 1 1 1 25 ILE MG . . . . . . 268 . 18729 17 >> 17 2 . 1 . . 1.109 . 1 1 1 25 ILE HG13 . . . . . . 328 . 18729 17 >> 18 1 . 1 . . 1.193 . 1 1 1 4 VAL MG2 . . . . . . 248 . 18729 17 >> 18 2 . 1 . . 2.132 . 1 1 1 4 VAL HB . . . . . . 227 . 18729 17 >> 19 1 . 1 . . 0.969 . 1 1 1 4 VAL MG1 . . . . . . 247 . 18729 17 >> 19 2 . 1 . . 2.126 . 1 1 1 4 VAL HB . . . . . . 227 . 18729 17 >> 20 1 . 1 . . 1.112 . 1 1 1 25 ILE HG13 . . . . . . 328 . 18729 17 >> 20 2 . 1 . . 1.770 . 1 1 1 25 ILE HB . . . . . . 178 . 18729 17 >> 21 1 . 1 . . 1.110 . 1 1 1 25 ILE HG13 . . . . . . 328 . 18729 17 >> 21 2 . 1 . . 1.419 . 1 1 1 25 ILE HG12 . . . . . . 327 . 18729 17 >> 22 1 . 1 . . 0.974 . 1 1 1 4 VAL MG1 . . . . . . 247 . 18729 17 >> 22 2 . 1 . . 3.993 . 1 1 1 4 VAL HA . . . . . . 228 . 18729 17 >> 23 1 . 1 . . 1.192 . 1 1 1 4 VAL MG2 . . . . . . 248 . 18729 17 >> 23 2 . 1 . . 3.982 . 1 1 1 4 VAL HA . . . . . . 228 . 18729 17 >> 24 1 . 1 . . 0.886 . 1 1 1 25 ILE MG . . . . . . 268 . 18729 17 >> 24 2 . 1 . . 4.306 . 1 1 1 25 ILE HA . . . . . . 177 . 18729 17 >> 25 1 . 1 . . 1.780 . 1 1 1 25 ILE HB . . . . . . 178 . 18729 17 >> 25 2 . 1 . . 1.111 . 1 1 1 25 ILE HG13 . . . . . . 328 . 18729 17 >> >> stop_ >> >>save_ >> ; save_